A0A077Z5A6_TRITR Loading...

Protein phosphatase regulatory inhibitor subunit

AlphaFold DB , UniProt , Accession A0A077Z5A6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 439 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	69.4	Low	84.8	Confident	88 Å²	88	88.4 Å²	88.4	43%	0.433	49%	0.487	S	S	.	.				0	102.9	0	-167.4	180	-85.5	0	0	100.5	D5 L6 R28	M1-D5 HydrophobicContact CG-CB 3.96Å; M1-L6 HydrophobicContact CG-CD2 4.31Å; M1-L6 HydrophobicContact CG-CG 4.24Å; M1-L6 HydrophobicContact SD-CD2 3.45Å; M1-L6 WeakPolarHBondContact SD-CD2 3.44Å; M1-L6 HydrophobicContact SD-CG 4.03Å; M1-R28 HydrophobicContact CE-CG 4.31Å
2	E	80.5	Confident	85.1	Confident	145 Å²	145	90.4 Å²	90.4	68%	0.678	50%	0.496	S	S	*	.			trans	-71.2	157.9	-174.6	-62.7	-158.4	164	0	0	108.6	A4 D5 L6	E2-A4 PolarHBondContact O-N 2.87Å; E2-D5 PolarHBondContact N-OD2 2.78Å; E2-D5 WeakPolarHBondContact O-CB 3.25Å; E2-D5 PolarHBondContact O-N 2.99Å; E2-D5 VanDerWaalsContact O-N 3.12Å; E2-L6 PolarHBondContact O-N 3.45Å
3	H	82.7	Confident	85.3	Confident	144 Å²	144	85.7 Å²	85.7	67%	0.667	47%	0.469	S	S	*	.	H	α-helix	trans	-57.7	-32.9	178.9	-177.7	54	0	0	0	111.6	L6 I7	H3-L6 PolarHBondContact O-N 3.33Å; H3-I7 WeakPolarHBondContact NE2-CD1 3.2Å; H3-I7 WeakPolarHBondContact O-CG1 3.27Å; H3-I7 PolarHBondContact O-N 3.28Å; H3-I7 VanDerWaalsContact O-N 3.14Å
4	A	88.3	Confident	85.5	Confident	63 Å²	63	89.9 Å²	89.9	52%	0.521	48%	0.484	S	S	.	.	H	α-helix	trans	-60.4	-43.2	175.5	0	0	0	0	0	113.1	E2 L6 I7 A8	E2-A4 PolarHBondContact O-N 2.87Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.14Å; A4-I7 PolarHBondContact O-N 3.34Å; A4-A8 PolarHBondContact O-N 3.46Å
5	D	85.9	Confident	85.9	Confident	76 Å²	76	95.4 Å²	95.4	41%	0.406	50%	0.502	S	S	.	.	H	α-helix	trans	-60.7	-41.3	177.8	-54.4	-32.8	0	0	0	111	M1 E2 A8 E9	M1-D5 HydrophobicContact CG-CB 3.96Å; E2-D5 PolarHBondContact N-OD2 2.78Å; E2-D5 WeakPolarHBondContact O-CB 3.25Å; E2-D5 PolarHBondContact O-N 2.99Å; E2-D5 VanDerWaalsContact O-N 3.12Å; D5-A8 PolarHBondContact O-N 2.74Å; D5-E9 PolarHBondContact O-N 3.2Å
6	L	84.7	Confident	86.2	Confident	61 Å²	61	92.7 Å²	92.7	32%	0.319	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-38.8	179.9	-70.9	170.7	0	0	0	112	M1 E2 H3 A4	M1-L6 HydrophobicContact CG-CD2 4.31Å; M1-L6 HydrophobicContact CG-CG 4.24Å; M1-L6 HydrophobicContact SD-CD2 3.45Å; M1-L6 WeakPolarHBondContact SD-CD2 3.44Å; M1-L6 HydrophobicContact SD-CG 4.03Å; E2-L6 PolarHBondContact O-N 3.45Å; H3-L6 PolarHBondContact O-N 3.33Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.14Å
7	I	87.2	Confident	86.6	Confident	88 Å²	88	91.8 Å²	91.8	45%	0.451	49%	0.487	S	S	.	.	H	α-helix	trans	-67.3	-43.7	177	-68.2	166	0	0	0	110.5	H3 A4 E9 L10	H3-I7 WeakPolarHBondContact NE2-CD1 3.2Å; H3-I7 WeakPolarHBondContact O-CG1 3.27Å; H3-I7 PolarHBondContact O-N 3.28Å; H3-I7 VanDerWaalsContact O-N 3.14Å; A4-I7 PolarHBondContact O-N 3.34Å; I7-E9 PolarHBondContact O-N 3.18Å; I7-L10 WeakPolarHBondContact O-CB 3.34Å; I7-L10 PolarHBondContact O-N 2.91Å
8	A	89.4	Confident	86.9	Confident	73 Å²	73	90.4 Å²	90.4	60%	0.603	49%	0.49	S	S	*	.	H	α-helix	trans	-62.3	-29.9	-178.6	0	0	0	0	0	113.1	A4 D5 P11	A4-A8 PolarHBondContact O-N 3.46Å; D5-A8 PolarHBondContact O-N 2.74Å; A8-P11 WeakPolarHBondContact O-CD 3.5Å
9	E	88.2	Confident	87.2	Confident	68 Å²	68	90.7 Å²	90.7	32%	0.318	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.4	178.8	-71.6	-177.4	-178.3	0	0	114.1	D5 I7 P11 L12 I13 R28	D5-E9 PolarHBondContact O-N 3.2Å; I7-E9 PolarHBondContact O-N 3.18Å; E9-P11 VanDerWaalsContact C-CD 3.49Å; E9-L12 WeakPolarHBondContact O-CB 3.37Å; E9-L12 PolarHBondContact O-N 3.22Å; E9-I13 HydrophobicContact CB-CD1 4.04Å; E9-I13 VanDerWaalsContact O-CG1 3.32Å; E9-I13 WeakPolarHBondContact O-CG1 3.24Å; E9-I13 PolarHBondContact O-N 3.27Å; E9-R28 IonicContact OE2-CZ 2.66Å; E9-R28 IonicContact OE2-NE 3.28Å; E9-R28 IonicContact OE2-NH2 2.9Å; E9-R28 PolarHBondContact OE2-NH2 2.95Å
10	L	87.7	Confident	87.5	Confident	93 Å²	93	90.3 Å²	90.3	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-53.1	-47.2	-175.7	-71.8	172	0	0	0	114.2	I7 L12 I13 E14	I7-L10 WeakPolarHBondContact O-CB 3.34Å; I7-L10 PolarHBondContact O-N 2.91Å; L10-L12 PolarHBondContact O-N 3.42Å; L10-I13 PolarHBondContact O-N 3.2Å; L10-I13 VanDerWaalsContact O-N 3.14Å; L10-E14 WeakPolarHBondContact O-CG 3.47Å; L10-E14 PolarHBondContact O-N 3.44Å
11	P	89.4	Confident	87.8	Confident	73 Å²	73	91.1 Å²	91.1	47%	0.474	49%	0.486	S	S	.	.	H	α-helix	trans	-64.9	-23.2	-179.6	-19.2	32.4	0	0	0	113.6	A8 E9	A8-P11 WeakPolarHBondContact O-CD 3.5Å; E9-P11 VanDerWaalsContact C-CD 3.49Å
12	L	87.5	Confident	88.9	Confident	113 Å²	113	91.7 Å²	91.7	59%	0.592	49%	0.489	S	S	*	.	H	α-helix	trans	-80.5	-40.8	176.2	-66.6	164.3	0	0	0	110.4	E9 L10 E14 K15	E9-L12 WeakPolarHBondContact O-CB 3.37Å; E9-L12 PolarHBondContact O-N 3.22Å; L10-L12 PolarHBondContact O-N 3.42Å; L12-E14 VanDerWaalsContact C-N 3.29Å; L12-E14 PolarHBondContact O-N 3.24Å; L12-K15 PolarHBondContact O-N 3.12Å; L12-K15 VanDerWaalsContact O-N 3.14Å
13	I	88	Confident	89.5	Confident	29 Å²	29	90.1 Å²	90.1	15%	0.149	48%	0.482	C	S	.	.	H	α-helix	trans	-66.2	-33.6	179.6	-62.1	164.5	0	0	0	111.5	E9 L10 K15 L16 R21 L24 R28	E9-I13 HydrophobicContact CB-CD1 4.04Å; E9-I13 VanDerWaalsContact O-CG1 3.32Å; E9-I13 WeakPolarHBondContact O-CG1 3.24Å; E9-I13 PolarHBondContact O-N 3.27Å; L10-I13 PolarHBondContact O-N 3.2Å; L10-I13 VanDerWaalsContact O-N 3.14Å; I13-K15 PolarHBondContact O-N 3.08Å; I13-L16 WeakPolarHBondContact O-CB 3.3Å; I13-L16 PolarHBondContact O-N 3Å; I13-L16 VanDerWaalsContact O-N 3.15Å; I13-R21 HydrophobicContact CG2-CG 4.09Å; I13-R21 PolarHBondContact O-NE 3.1Å; I13-L24 HydrophobicContact CD1-CD2 4.07Å; I13-L24 HydrophobicContact CG1-CD2 3.77Å; I13-R28 VanDerWaalsContact CD1-NH2 3.28Å
14	E	88.2	Confident	89.9	Confident	144 Å²	144	85.3 Å²	85.3	67%	0.673	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.3	174.2	-76.5	177.9	178.5	0	0	112.3	L10 L12 R21	L10-E14 WeakPolarHBondContact O-CG 3.47Å; L10-E14 PolarHBondContact O-N 3.44Å; L12-E14 VanDerWaalsContact C-N 3.29Å; L12-E14 PolarHBondContact O-N 3.24Å; E14-R21 PolarHBondContact O-NH2 2.93Å
15	K	91.1	Very high	90	Very high	173 Å²	173	84.9 Å²	84.9	75%	0.752	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-14	179.7	-60.9	176.4	-174.6	177	0	114.1	L12 I13	L12-K15 PolarHBondContact O-N 3.12Å; L12-K15 VanDerWaalsContact O-N 3.14Å; I13-K15 PolarHBondContact O-N 3.08Å
16	L	90.6	Very high	90.4	Very high	52 Å²	52	88.4 Å²	88.4	27%	0.272	47%	0.469	S	S	.	.	S	Bend	trans	-76	146.8	-179.1	-65.9	175.8	0	0	0	111.9	I13 E20 R21 L24	I13-L16 WeakPolarHBondContact O-CB 3.3Å; I13-L16 PolarHBondContact O-N 3Å; I13-L16 VanDerWaalsContact O-N 3.15Å; L16-E20 WeakPolarHBondContact CA-OE2 3.47Å; L16-E20 HydrophobicContact CB-CB 3.94Å; L16-E20 HydrophobicContact CD1-CB 4.47Å; L16-E20 HydrophobicContact CD2-CB 4.04Å; L16-E20 HydrophobicContact CD2-CG 4.5Å; L16-E20 HydrophobicContact CG-CB 4.36Å; L16-R21 HydrophobicContact CB-CG 3.85Å; L16-R21 PolarHBondContact O-NE 2.96Å; L16-R21 PolarHBondContact O-NH2 3.4Å; L16-L24 HydrophobicContact CD1-CD2 4.17Å
17	T	94.1	Very high	90.8	Very high	78 Å²	78	91.6 Å²	91.6	48%	0.479	48%	0.483	S	S	.	.			trans	-65.4	159.8	168.9	63.3	0	0	0	0	111.3	V19 E20 R21	T17-V19 PolarHBondContact O-N 2.89Å; T17-E20 PolarHBondContact N-OE2 2.76Å; T17-E20 PolarHBondContact O-N 3.39Å; T17-E20 VanDerWaalsContact O-N 3.16Å; T17-E20 VanDerWaalsContact OG1-CG 3.24Å; T17-E20 WeakPolarHBondContact OG1-CG 3.4Å; T17-E20 PolarHBondContact OG1-N 2.94Å; T17-E20 PolarHBondContact OG1-OE2 3.38Å; T17-R21 WeakPolarHBondContact O-CG 3.39Å; T17-R21 PolarHBondContact O-N 3.19Å
18	A	91.2	Very high	90.9	Very high	67 Å²	67	90.6 Å²	90.6	55%	0.554	47%	0.473	S	S	*	.	H	α-helix	trans	-56.2	-36.2	178.2	0	0	0	0	0	112.8	I22	A18-I22 WeakPolarHBondContact O-CG1 3.39Å; A18-I22 PolarHBondContact O-N 3.36Å
19	V	93.4	Very high	91	Very high	95 Å²	95	93.8 Å²	93.8	58%	0.576	47%	0.47	S	S	*	.	H	α-helix	trans	-67.5	-45.1	178.2	179.9	0	0	0	0	111.2	T17 R21 I22 Q23	T17-V19 PolarHBondContact O-N 2.89Å; V19-R21 PolarHBondContact O-N 3.16Å; V19-I22 PolarHBondContact O-N 3.34Å; V19-Q23 WeakPolarHBondContact O-CG 3.43Å; V19-Q23 PolarHBondContact O-N 3.47Å
20	E	93.9	Very high	91.3	Very high	82 Å²	82	93.2 Å²	93.2	38%	0.383	48%	0.476	S	S	.	.	H	α-helix	trans	-63.9	-39.3	177.5	-72.4	164.4	156.7	0	0	111.8	L16 T17 I22 Q23 L24	L16-E20 WeakPolarHBondContact CA-OE2 3.47Å; L16-E20 HydrophobicContact CB-CB 3.94Å; L16-E20 HydrophobicContact CD1-CB 4.47Å; L16-E20 HydrophobicContact CD2-CB 4.04Å; L16-E20 HydrophobicContact CD2-CG 4.5Å; L16-E20 HydrophobicContact CG-CB 4.36Å; T17-E20 PolarHBondContact N-OE2 2.76Å; T17-E20 PolarHBondContact O-N 3.39Å; T17-E20 VanDerWaalsContact O-N 3.16Å; T17-E20 VanDerWaalsContact OG1-CG 3.24Å; T17-E20 WeakPolarHBondContact OG1-CG 3.4Å; T17-E20 PolarHBondContact OG1-N 2.94Å; T17-E20 PolarHBondContact OG1-OE2 3.38Å; E20-I22 VanDerWaalsContact C-N 3.32Å; E20-I22 PolarHBondContact O-N 2.9Å; E20-Q23 PolarHBondContact O-N 3.14Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 PolarHBondContact O-N 2.99Å
21	R	93.1	Very high	91.5	Very high	109 Å²	109	92.5 Å²	92.5	41%	0.411	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-40.3	174.6	-67.2	-174.1	-166.7	132.3	1.4	112.1	I13 E14 L16 T17 V19 A25	I13-R21 HydrophobicContact CG2-CG 4.09Å; I13-R21 PolarHBondContact O-NE 3.1Å; E14-R21 PolarHBondContact O-NH2 2.93Å; L16-R21 HydrophobicContact CB-CG 3.85Å; L16-R21 PolarHBondContact O-NE 2.96Å; L16-R21 PolarHBondContact O-NH2 3.4Å; T17-R21 WeakPolarHBondContact O-CG 3.39Å; T17-R21 PolarHBondContact O-N 3.19Å; V19-R21 PolarHBondContact O-N 3.16Å; R21-A25 WeakPolarHBondContact O-CB 3.24Å; R21-A25 PolarHBondContact O-N 3.46Å
22	I	91.6	Very high	91.5	Very high	99 Å²	99	94 Å²	94	51%	0.508	47%	0.473	S	S	.	.	H	α-helix	trans	-66	-41.9	176	-67.7	166.2	0	0	0	110.9	A18 V19 E20 A25 K26	A18-I22 WeakPolarHBondContact O-CG1 3.39Å; A18-I22 PolarHBondContact O-N 3.36Å; V19-I22 PolarHBondContact O-N 3.34Å; E20-I22 VanDerWaalsContact C-N 3.32Å; E20-I22 PolarHBondContact O-N 2.9Å; I22-A25 PolarHBondContact O-N 3.14Å; I22-K26 HydrophobicContact CG2-CD 4.44Å; I22-K26 WeakPolarHBondContact O-CG 3.43Å; I22-K26 PolarHBondContact O-N 2.82Å
23	Q	93.5	Very high	91.7	Very high	113 Å²	113	92.2 Å²	92.2	53%	0.528	46%	0.464	S	S	.	.	H	α-helix	trans	-63.2	-45.4	176.9	-72.5	178.9	-6.3	0	0	111.9	V19 E20 A25 K26 Q27	V19-Q23 WeakPolarHBondContact O-CG 3.43Å; V19-Q23 PolarHBondContact O-N 3.47Å; E20-Q23 PolarHBondContact O-N 3.14Å; Q23-A25 VanDerWaalsContact C-N 3.34Å; Q23-A25 PolarHBondContact O-N 3.45Å; Q23-K26 PolarHBondContact O-N 3.28Å; Q23-Q27 WeakPolarHBondContact O-CG 3.39Å; Q23-Q27 PolarHBondContact O-N 2.88Å
24	L	91.8	Very high	91.9	Very high	42 Å²	42	96.3 Å²	96.3	22%	0.22	48%	0.484	C	S	.	.	H	α-helix	trans	-60	-43.2	175.2	-175.5	69.9	0	0	0	111.6	I13 L16 E20 K26 Q27 R28	I13-L24 HydrophobicContact CD1-CD2 4.07Å; I13-L24 HydrophobicContact CG1-CD2 3.77Å; L16-L24 HydrophobicContact CD1-CD2 4.17Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 PolarHBondContact O-N 2.99Å; L24-K26 PolarHBondContact O-N 3.25Å; L24-Q27 PolarHBondContact O-N 3.35Å; L24-R28 WeakPolarHBondContact O-CG 3.24Å; L24-R28 PolarHBondContact O-N 3.42Å
25	A	90.7	Very high	92	Very high	55 Å²	55	94.7 Å²	94.7	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-61.8	-41.8	176.4	0	0	0	0	0	112.3	R21 I22 Q23 R28 R29	R21-A25 WeakPolarHBondContact O-CB 3.24Å; R21-A25 PolarHBondContact O-N 3.46Å; I22-A25 PolarHBondContact O-N 3.14Å; Q23-A25 VanDerWaalsContact C-N 3.34Å; Q23-A25 PolarHBondContact O-N 3.45Å; A25-R28 PolarHBondContact O-N 2.9Å; A25-R29 WeakPolarHBondContact O-CB 3.49Å; A25-R29 PolarHBondContact O-N 3.38Å
26	K	94.3	Very high	91.9	Very high	149 Å²	149	92.8 Å²	92.8	65%	0.648	46%	0.46	S	S	*	.	H	α-helix	trans	-62	-43.8	174.5	-74.4	179.8	177.8	-176	0	111.8	I22 Q23 L24 R29 A30	I22-K26 HydrophobicContact CG2-CD 4.44Å; I22-K26 WeakPolarHBondContact O-CG 3.43Å; I22-K26 PolarHBondContact O-N 2.82Å; Q23-K26 PolarHBondContact O-N 3.28Å; L24-K26 PolarHBondContact O-N 3.25Å; K26-R29 PolarHBondContact O-N 2.78Å; K26-A30 PolarHBondContact O-N 3.45Å
27	Q	92.7	Very high	91.9	Very high	129 Å²	129	95.3 Å²	95.3	60%	0.603	47%	0.47	S	S	*	.	H	α-helix	trans	-62.5	-44.3	176.3	-72.1	175.7	-5.4	0	0	112	Q23 L24 R29 A30 L31	Q23-Q27 WeakPolarHBondContact O-CG 3.39Å; Q23-Q27 PolarHBondContact O-N 2.88Å; L24-Q27 PolarHBondContact O-N 3.35Å; Q27-R29 PolarHBondContact O-N 3.12Å; Q27-A30 WeakPolarHBondContact O-CB 3.2Å; Q27-A30 PolarHBondContact O-N 3.5Å; Q27-L31 PolarHBondContact O-N 2.87Å
28	R	89.7	Confident	91.6	Very high	67 Å²	67	96.2 Å²	96.2	25%	0.253	47%	0.469	S	S	.	.	H	α-helix	trans	-61.3	-43	175.8	-75	176.1	173.7	-178.7	-5.1	112.1	M1 E9 I13 L24 A25 A30 L31 Q32	M1-R28 HydrophobicContact CE-CG 4.31Å; E9-R28 IonicContact OE2-CZ 2.66Å; E9-R28 IonicContact OE2-NE 3.28Å; E9-R28 IonicContact OE2-NH2 2.9Å; E9-R28 PolarHBondContact OE2-NH2 2.95Å; I13-R28 VanDerWaalsContact CD1-NH2 3.28Å; L24-R28 WeakPolarHBondContact O-CG 3.24Å; L24-R28 PolarHBondContact O-N 3.42Å; A25-R28 PolarHBondContact O-N 2.9Å; R28-A30 VanDerWaalsContact C-N 3.35Å; R28-L31 PolarHBondContact O-N 3.36Å; R28-Q32 WeakPolarHBondContact O-CB 3.24Å; R28-Q32 PolarHBondContact O-N 3.49Å
29	R	91.7	Very high	91.4	Very high	140 Å²	140	100.6 Å²	100.6	53%	0.528	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-42.6	175.7	-178	58.9	174.9	-175.9	-2.1	111.4	A25 K26 Q27 Q32 L33	A25-R29 WeakPolarHBondContact O-CB 3.49Å; A25-R29 PolarHBondContact O-N 3.38Å; K26-R29 PolarHBondContact O-N 2.78Å; Q27-R29 PolarHBondContact O-N 3.12Å; R29-Q32 VanDerWaalsContact NH1-OE1 3.1Å; R29-Q32 PolarHBondContact O-N 3.25Å; R29-L33 HydrophobicContact CG-CD1 4.22Å; R29-L33 WeakPolarHBondContact O-CG 3.42Å; R29-L33 PolarHBondContact O-N 3.29Å
30	A	93.8	Very high	90.8	Very high	56 Å²	56	100.3 Å²	100.3	46%	0.463	46%	0.463	S	S	.	.	H	α-helix	trans	-60.5	-45.3	175.4	0	0	0	0	0	111.7	K26 Q27 R28 Q32 L33 M34	K26-A30 PolarHBondContact O-N 3.45Å; Q27-A30 WeakPolarHBondContact O-CB 3.2Å; Q27-A30 PolarHBondContact O-N 3.5Å; R28-A30 VanDerWaalsContact C-N 3.35Å; A30-Q32 PolarHBondContact O-N 2.97Å; A30-L33 PolarHBondContact O-N 3.48Å; A30-M34 WeakPolarHBondContact O-CG 3.48Å; A30-M34 PolarHBondContact O-N 3.2Å
31	L	91.7	Very high	90.2	Very high	77 Å²	77	107.2 Å²	107.2	40%	0.403	49%	0.486	S	S	.	.	H	α-helix	trans	-66.6	-37.3	178.2	-162.5	151.2	0	0	0	112.3	Q27 R28 M34 R35	Q27-L31 PolarHBondContact O-N 2.87Å; R28-L31 PolarHBondContact O-N 3.36Å; L31-M34 PolarHBondContact O-N 3.41Å; L31-R35 HydrophobicContact CD2-CG 4.32Å; L31-R35 VanDerWaalsContact CD2-CZ 3.5Å; L31-R35 PolarHBondContact O-N 2.77Å
32	Q	90.2	Very high	89.4	Confident	105 Å²	105	109.1 Å²	109.1	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-45.7	174.2	-172.7	-171.8	24.4	0	0	111.7	R28 R29 A30 R35 W36	R28-Q32 WeakPolarHBondContact O-CB 3.24Å; R28-Q32 PolarHBondContact O-N 3.49Å; R29-Q32 VanDerWaalsContact NH1-OE1 3.1Å; R29-Q32 PolarHBondContact O-N 3.25Å; A30-Q32 PolarHBondContact O-N 2.97Å; Q32-R35 PolarHBondContact O-N 3.32Å; Q32-W36 WeakPolarHBondContact O-CB 3.31Å; Q32-W36 PolarHBondContact O-N 3.22Å
33	L	91.5	Very high	88.7	Confident	75 Å²	75	111.2 Å²	111.2	39%	0.393	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-40.8	177.2	-72.6	170.6	0	0	0	111.6	R29 A30 W36 Q37	R29-L33 HydrophobicContact CG-CD1 4.22Å; R29-L33 WeakPolarHBondContact O-CG 3.42Å; R29-L33 PolarHBondContact O-N 3.29Å; A30-L33 PolarHBondContact O-N 3.48Å; L33-W36 PolarHBondContact O-N 3.13Å; L33-Q37 WeakPolarHBondContact O-CG 3.47Å; L33-Q37 PolarHBondContact O-N 3.41Å
34	M	92.3	Very high	87.5	Confident	116 Å²	116	110 Å²	110	57%	0.571	51%	0.512	S	S	*	.	H	α-helix	trans	-58	-48.8	173	-80	-60.8	-47.2	0	0	112.2	A30 L31 W36 Q37 E38	A30-M34 WeakPolarHBondContact O-CG 3.48Å; A30-M34 PolarHBondContact O-N 3.2Å; L31-M34 PolarHBondContact O-N 3.41Å; M34-W36 VanDerWaalsContact C-N 3.31Å; M34-W36 PolarHBondContact O-N 3.3Å; M34-Q37 PolarHBondContact O-N 3.18Å; M34-E38 WeakPolarHBondContact O-CB 3.24Å; M34-E38 PolarHBondContact O-N 2.64Å
35	R	89.5	Confident	86.4	Confident	110 Å²	110	118.8 Å²	118.8	42%	0.415	54%	0.542	S	S	.	.	H	α-helix	trans	-65.5	-31.8	176.4	-76.6	-178.9	167.8	151.4	-6.2	113.2	L31 Q32 R39	L31-R35 HydrophobicContact CD2-CG 4.32Å; L31-R35 VanDerWaalsContact CD2-CZ 3.5Å; L31-R35 PolarHBondContact O-N 2.77Å; Q32-R35 PolarHBondContact O-N 3.32Å; R35-R39 WeakPolarHBondContact O-CG 3.25Å; R35-R39 PolarHBondContact O-N 3.06Å; R35-R39 VanDerWaalsContact O-N 3.07Å; R35-R39 PolarHBondContact O-NE 2.71Å
36	W	89	Confident	85.7	Confident	133 Å²	133	121.7 Å²	121.7	50%	0.504	55%	0.554	S	S	.	*	H	α-helix	trans	-68.8	-46.7	174.2	174.4	84.9	0	0	0	111	Q32 L33 M34 E38 R39 E40	Q32-W36 WeakPolarHBondContact O-CB 3.31Å; Q32-W36 PolarHBondContact O-N 3.22Å; L33-W36 PolarHBondContact O-N 3.13Å; M34-W36 VanDerWaalsContact C-N 3.31Å; M34-W36 PolarHBondContact O-N 3.3Å; W36-E38 VanDerWaalsContact C-N 3.3Å; W36-E38 PolarHBondContact O-N 2.94Å; W36-R39 WeakPolarHBondContact O-CB 3.32Å; W36-R39 PolarHBondContact O-N 3.25Å; W36-R39 VanDerWaalsContact O-N 3.11Å; W36-E40 HydrophobicContact CD2-CG 4.15Å; W36-E40 HydrophobicContact CH2-CG 4.12Å; W36-E40 HydrophobicContact CZ2-CG 3.67Å; W36-E40 PolarHBondContact O-N 3.24Å
37	Q	90	Very high	84.8	Confident	104 Å²	104	125.6 Å²	125.6	49%	0.486	57%	0.565	S	S	.	*	H	α-helix	trans	-60.2	-39.9	174.5	-74.1	-178.2	-10.9	0	0	111.9	L33 M34 R39 E40 R41	L33-Q37 WeakPolarHBondContact O-CG 3.47Å; L33-Q37 PolarHBondContact O-N 3.41Å; M34-Q37 PolarHBondContact O-N 3.18Å; Q37-R39 VanDerWaalsContact C-N 3.35Å; Q37-E40 PolarHBondContact O-N 3.48Å; Q37-R41 WeakPolarHBondContact O-CB 3.46Å; Q37-R41 VanDerWaalsContact O-CG 3.28Å; Q37-R41 WeakPolarHBondContact O-CG 3.21Å; Q37-R41 PolarHBondContact O-N 2.87Å
38	E	88.6	Confident	84.4	Confident	98 Å²	98	126 Å²	126	46%	0.458	57%	0.565	S	S	.	*	H	α-helix	trans	-64.3	-39.1	175.6	-163.8	-174.3	171.5	0	0	111.9	M34 W36 R41 K42	M34-E38 WeakPolarHBondContact O-CB 3.24Å; M34-E38 PolarHBondContact O-N 2.64Å; W36-E38 VanDerWaalsContact C-N 3.3Å; W36-E38 PolarHBondContact O-N 2.94Å; E38-R41 PolarHBondContact O-N 3.24Å; E38-K42 HydrophobicContact CG-CD 4.41Å; E38-K42 WeakPolarHBondContact O-CB 3.34Å; E38-K42 VanDerWaalsContact O-CG 3.29Å; E38-K42 WeakPolarHBondContact O-CG 3.48Å; E38-K42 PolarHBondContact O-N 3.27Å; E38-K42 WeakPolarHBondContact OE1-CE 3.47Å; E38-K42 IonicContact OE1-NZ 2.86Å; E38-K42 PolarHBondContact OE1-NZ 3.16Å
39	R	86.5	Confident	84.2	Confident	159 Å²	159	125 Å²	125	60%	0.6	58%	0.575	S	S	*	*	H	α-helix	trans	-66.1	-43	173.8	-81.1	-174.6	-73.3	-179.8	0.1	112.4	R35 W36 Q37 R41 K42 K43	R35-R39 WeakPolarHBondContact O-CG 3.25Å; R35-R39 PolarHBondContact O-N 3.06Å; R35-R39 VanDerWaalsContact O-N 3.07Å; R35-R39 PolarHBondContact O-NE 2.71Å; W36-R39 WeakPolarHBondContact O-CB 3.32Å; W36-R39 PolarHBondContact O-N 3.25Å; W36-R39 VanDerWaalsContact O-N 3.11Å; Q37-R39 VanDerWaalsContact C-N 3.35Å; R39-R41 VanDerWaalsContact C-N 3.34Å; R39-R41 PolarHBondContact O-N 3.39Å; R39-K42 CarbonylContact O-C 3.43Å; R39-K42 PolarHBondContact O-N 2.81Å; R39-K42 VanDerWaalsContact O-N 3.17Å; R39-K43 WeakPolarHBondContact O-CB 3.4Å; R39-K43 PolarHBondContact O-N 3.32Å
40	E	82.1	Confident	84.1	Confident	88 Å²	88	121.6 Å²	121.6	41%	0.411	57%	0.573	S	S	.	*	H	α-helix	trans	-64.9	-37.9	176.1	-72.4	-60.6	113.6	0	0	111.8	W36 Q37 K42 K43	W36-E40 HydrophobicContact CD2-CG 4.15Å; W36-E40 HydrophobicContact CH2-CG 4.12Å; W36-E40 HydrophobicContact CZ2-CG 3.67Å; W36-E40 PolarHBondContact O-N 3.24Å; Q37-E40 PolarHBondContact O-N 3.48Å; E40-K42 VanDerWaalsContact C-N 3.31Å; E40-K42 PolarHBondContact O-N 2.92Å; E40-K43 WeakPolarHBondContact O-CB 3.38Å; E40-K43 PolarHBondContact O-N 3.05Å
41	R	80	Confident	83.8	Confident	227 Å²	227	119.5 Å²	119.5	86%	0.857	56%	0.557	S	S	*	*	H	α-helix	trans	-65.7	-32.7	172.6	-72.5	178.6	77.1	158.3	5.2	112.8	Q37 E38 R39	Q37-R41 WeakPolarHBondContact O-CB 3.46Å; Q37-R41 VanDerWaalsContact O-CG 3.28Å; Q37-R41 WeakPolarHBondContact O-CG 3.21Å; Q37-R41 PolarHBondContact O-N 2.87Å; E38-R41 PolarHBondContact O-N 3.24Å; R39-R41 VanDerWaalsContact C-N 3.34Å; R39-R41 PolarHBondContact O-N 3.39Å
42	K	77.1	Confident	83.8	Confident	150 Å²	150	119.6 Å²	119.6	65%	0.652	56%	0.56	S	S	*	*	H	α-helix	trans	-85	-15.8	176.3	-72.5	177.7	-173.9	172.7	0	113.3	E38 R39 E40 A44	E38-K42 HydrophobicContact CG-CD 4.41Å; E38-K42 WeakPolarHBondContact O-CB 3.34Å; E38-K42 VanDerWaalsContact O-CG 3.29Å; E38-K42 WeakPolarHBondContact O-CG 3.48Å; E38-K42 PolarHBondContact O-N 3.27Å; E38-K42 WeakPolarHBondContact OE1-CE 3.47Å; E38-K42 IonicContact OE1-NZ 2.86Å; E38-K42 PolarHBondContact OE1-NZ 3.16Å; R39-K42 CarbonylContact O-C 3.43Å; R39-K42 PolarHBondContact O-N 2.81Å; R39-K42 VanDerWaalsContact O-N 3.17Å; E40-K42 VanDerWaalsContact C-N 3.31Å; E40-K42 PolarHBondContact O-N 2.92Å; K42-A44 PolarHBondContact O-N 3.4Å
43	K	75.8	Confident	84	Confident	143 Å²	143	116.6 Å²	116.6	62%	0.622	55%	0.549	S	S	*	.	S	Bend	trans	-65.5	109.9	178.3	-164.2	175.7	-175.4	-179.5	0	107.2	R39 E40 R45	R39-K43 WeakPolarHBondContact O-CB 3.4Å; R39-K43 PolarHBondContact O-N 3.32Å; E40-K43 WeakPolarHBondContact O-CB 3.38Å; E40-K43 PolarHBondContact O-N 3.05Å; K43-R45 PolarHBondContact O-N 2.89Å
44	A	68	Low	84.2	Confident	88 Å²	88	113 Å²	113	73%	0.727	53%	0.531	S	S	*	.			trans	-58	114.2	175.4	0	0	0	0	0	107.6	K42 V46	K42-A44 PolarHBondContact O-N 3.4Å; A44-V46 PolarHBondContact O-N 3.13Å
45	R	70.2	Confident	84.3	Confident	225 Å²	225	109 Å²	109	85%	0.849	51%	0.511	S	S	*	.			trans	-59.9	124.7	168.3	-79.6	-177.2	166	-178.4	-5.9	106.8	K43 R47	K43-R45 PolarHBondContact O-N 2.89Å; R45-R47 PolarHBondContact O-N 3.45Å
46	V	74.8	Confident	84.5	Confident	116 Å²	116	107.1 Å²	107.1	70%	0.703	51%	0.507	S	S	*	.			trans	-57.8	122.4	170.7	-177.6	0	0	0	0	106.5	A44 F48	A44-V46 PolarHBondContact O-N 3.13Å; V46-F48 HydrophobicContact CG1-CE1 4.06Å; V46-F48 HydrophobicContact CG1-CE2 4.12Å; V46-F48 HydrophobicContact CG1-CZ 3.83Å
47	R	75.4	Confident	84.8	Confident	231 Å²	231	100.8 Å²	100.8	87%	0.872	48%	0.483	S	S	*	.			trans	-109.5	117.8	175.2	-66.7	-177.8	-173.3	176.4	0.6	106.5	R45	R45-R47 PolarHBondContact O-N 3.45Å
48	F	84	Confident	85.1	Confident	139 Å²	139	96 Å²	96	61%	0.61	46%	0.461	S	S	*	.			trans	-80.2	154.7	170.3	-61.1	-75.6	0	0	0	109.4	V46 T52 V53	V46-F48 HydrophobicContact CG1-CE1 4.06Å; V46-F48 HydrophobicContact CG1-CE2 4.12Å; V46-F48 HydrophobicContact CG1-CZ 3.83Å; F48-T52 HydrophobicContact CB-CG2 4.14Å; F48-T52 HydrophobicContact CD1-CG2 4.31Å; F48-T52 HydrophobicContact CG-CG2 4.42Å; F48-V53 HydrophobicContact CB-CG2 3.89Å
49	G	87.1	Confident	85.3	Confident	45 Å²	45	92.6 Å²	92.6	46%	0.464	45%	0.448	S	S	.	.			trans	-60.9	152.3	173	0	0	0	0	0	110.6	G51 T52 V53	G49-G51 PolarHBondContact O-N 3.09Å; G49-T52 PolarHBondContact O-N 3.29Å; G49-V53 WeakPolarHBondContact O-CG2 3.49Å; G49-V53 PolarHBondContact O-N 3.13Å; G49-V53 VanDerWaalsContact O-N 3.07Å
50	S	87.9	Confident	85.6	Confident	69 Å²	69	90.1 Å²	90.1	48%	0.483	44%	0.439	S	S	.	.	H	α-helix	trans	-54.4	-38.3	-180	48	0	0	0	0	112.4	V53 L54	S50-V53 PolarHBondContact O-N 3.42Å; S50-L54 WeakPolarHBondContact O-CB 3.25Å; S50-L54 PolarHBondContact O-N 3.31Å
51	G	88.8	Confident	86.2	Confident	12 Å²	12	89.8 Å²	89.8	12%	0.124	44%	0.437	C	S	.	.	H	α-helix	trans	-60.6	-46.1	174.5	0	0	0	0	0	113.6	G49 V53 L54 L55	G49-G51 PolarHBondContact O-N 3.09Å; G51-V53 VanDerWaalsContact C-N 3.32Å; G51-V53 PolarHBondContact O-N 3.05Å; G51-L54 PolarHBondContact O-N 3.41Å; G51-L55 WeakPolarHBondContact O-CG 3.17Å; G51-L55 PolarHBondContact O-N 3.08Å
52	T	91.7	Very high	86.9	Confident	78 Å²	78	81.6 Å²	81.6	48%	0.479	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-39.8	176.5	-47.4	0	0	0	0	111.7	F48 G49 L55 E56	F48-T52 HydrophobicContact CB-CG2 4.14Å; F48-T52 HydrophobicContact CD1-CG2 4.31Å; F48-T52 HydrophobicContact CG-CG2 4.42Å; G49-T52 PolarHBondContact O-N 3.29Å; T52-L55 PolarHBondContact O-N 2.76Å; T52-E56 WeakPolarHBondContact O-CB 3.49Å; T52-E56 PolarHBondContact O-N 3.43Å
53	V	93.9	Very high	87.9	Confident	42 Å²	42	76.1 Å²	76.1	26%	0.255	39%	0.389	S	S	.	.	H	α-helix	trans	-68	-37.9	177.5	-176.4	0	0	0	0	111	F48 G49 S50 G51 E56 A57 L69	F48-V53 HydrophobicContact CB-CG2 3.89Å; G49-V53 WeakPolarHBondContact O-CG2 3.49Å; G49-V53 PolarHBondContact O-N 3.13Å; G49-V53 VanDerWaalsContact O-N 3.07Å; S50-V53 PolarHBondContact O-N 3.42Å; G51-V53 VanDerWaalsContact C-N 3.32Å; G51-V53 PolarHBondContact O-N 3.05Å; V53-E56 PolarHBondContact O-N 3.09Å; V53-A57 WeakPolarHBondContact O-CB 3.15Å; V53-A57 PolarHBondContact O-N 2.94Å; V53-L69 HydrophobicContact CB-CD1 4.49Å; V53-L69 HydrophobicContact CG1-CD1 3.85Å; V53-L69 HydrophobicContact CG1-CD2 3.95Å
54	L	95.8	Very high	88.9	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-63.1	-45	175.3	179.6	66.6	0	0	0	111.8	S50 G51 A57 T58 V66 L69 L70 A74 D75 L102	S50-L54 WeakPolarHBondContact O-CB 3.25Å; S50-L54 PolarHBondContact O-N 3.31Å; G51-L54 PolarHBondContact O-N 3.41Å; L54-A57 PolarHBondContact O-N 3.42Å; L54-T58 WeakPolarHBondContact O-CB 3.3Å; L54-T58 PolarHBondContact O-N 2.97Å; L54-T58 PolarHBondContact O-OG1 3.05Å; L54-V66 HydrophobicContact CD1-CB 4.4Å; L54-V66 HydrophobicContact CD1-CG1 3.89Å; L54-V66 HydrophobicContact CD1-CG2 4.35Å; L54-L69 HydrophobicContact CB-CD1 4.42Å; L54-L69 HydrophobicContact CD1-CB 4.24Å; L54-L69 HydrophobicContact CD1-CD1 4.38Å; L54-L70 HydrophobicContact CD1-CD2 4.17Å; L54-L70 HydrophobicContact CD1-CG 4.11Å; L54-L70 HydrophobicContact CD2-CD2 3.94Å; L54-A74 HydrophobicContact CD2-CB 4.42Å; L54-D75 WeakPolarHBondContact CD2-O 3.5Å; L54-L102 HydrophobicContact CD2-CD2 4.47Å
55	L	94.4	Very high	90.2	Very high	30 Å²	30	73.2 Å²	73.2	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-46.8	175.4	-68.4	171.3	0	0	0	111	G51 T52 A57 T58 S59 N80 A86	G51-L55 WeakPolarHBondContact O-CG 3.17Å; G51-L55 PolarHBondContact O-N 3.08Å; T52-L55 PolarHBondContact O-N 2.76Å; L55-A57 PolarHBondContact O-N 3.39Å; L55-T58 WeakPolarHBondContact O-CB 3.3Å; L55-T58 PolarHBondContact O-N 3.04Å; L55-S59 PolarHBondContact O-N 3.22Å; L55-S59 PolarHBondContact O-OG 2.97Å; L55-N80 HydrophobicContact CD1-CB 4.25Å; L55-A86 HydrophobicContact CD2-CB 4.08Å; L55-A86 VanDerWaalsContact CD2-N 3.3Å
56	E	93.4	Very high	91.5	Very high	72 Å²	72	62.5 Å²	62.5	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-63.3	-39.1	177.6	-177.9	64.3	-158.1	0	0	112.9	T52 V53 T58 R60	T52-E56 WeakPolarHBondContact O-CB 3.49Å; T52-E56 PolarHBondContact O-N 3.43Å; V53-E56 PolarHBondContact O-N 3.09Å; E56-T58 VanDerWaalsContact C-N 3.32Å; E56-R60 WeakPolarHBondContact O-CG 3.48Å; E56-R60 PolarHBondContact O-N 3.38Å; E56-R60 PolarHBondContact O-NE 3.37Å; E56-R60 IonicContact OE1-NE 2.74Å
57	A	95.4	Very high	92.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-38.2	174.6	0	0	0	0	0	111.5	V53 L54 L55 R60 H61 D62 E65 V66 L69	V53-A57 WeakPolarHBondContact O-CB 3.15Å; V53-A57 PolarHBondContact O-N 2.94Å; L54-A57 PolarHBondContact O-N 3.42Å; L55-A57 PolarHBondContact O-N 3.39Å; A57-R60 PolarHBondContact O-N 3.33Å; A57-H61 PolarHBondContact O-N 3.17Å; A57-D62 PolarHBondContact O-N 2.85Å; A57-E65 HydrophobicContact CB-CB 4.21Å; A57-E65 HydrophobicContact CB-CG 3.96Å; A57-V66 HydrophobicContact CB-CG2 3.82Å; A57-L69 HydrophobicContact CB-CD1 3.87Å
58	T	95.4	Very high	93.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-47.8	176.1	-54.4	0	0	0	0	111.3	L54 L55 E56 R60 H61 A86 Q89 C90 I98	L54-T58 WeakPolarHBondContact O-CB 3.3Å; L54-T58 PolarHBondContact O-N 2.97Å; L54-T58 PolarHBondContact O-OG1 3.05Å; L55-T58 WeakPolarHBondContact O-CB 3.3Å; L55-T58 PolarHBondContact O-N 3.04Å; E56-T58 VanDerWaalsContact C-N 3.32Å; T58-R60 PolarHBondContact O-N 3.32Å; T58-H61 PolarHBondContact O-N 3.13Å; T58-A86 HydrophobicContact CG2-CB 4.11Å; T58-Q89 HydrophobicContact CG2-CB 4.22Å; T58-Q89 HydrophobicContact CG2-CG 4.37Å; T58-C90 WeakPolarHBondContact CG2-SG 3.49Å; T58-I98 HydrophobicContact CG2-CG2 4.19Å
59	S	92.6	Very high	94.1	Very high	27 Å²	27	51.8 Å²	51.8	19%	0.189	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-20	176.6	-61.7	0	0	0	0	114	L55	L55-S59 PolarHBondContact O-N 3.22Å; L55-S59 PolarHBondContact O-OG 2.97Å
60	R	94.4	Very high	94.5	Very high	108 Å²	108	50.1 Å²	50.1	41%	0.408	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.5	172.6	-74	-175.1	-67.8	116.5	-7.6	113.4	E56 A57 T58 D62 E65	E56-R60 WeakPolarHBondContact O-CG 3.48Å; E56-R60 PolarHBondContact O-N 3.38Å; E56-R60 PolarHBondContact O-NE 3.37Å; E56-R60 IonicContact OE1-NE 2.74Å; A57-R60 PolarHBondContact O-N 3.33Å; T58-R60 PolarHBondContact O-N 3.32Å; R60-D62 IonicContact NH1-OD2 3.22Å; R60-D62 PolarHBondContact O-N 3.04Å; R60-E65 IonicContact CZ-OE2 3.69Å; R60-E65 VanDerWaalsContact CZ-OE2 3.23Å; R60-E65 IonicContact NH1-OE2 3.98Å; R60-E65 PolarHBondContact NH1-OE2 3.3Å; R60-E65 IonicContact NH2-OE1 3.84Å; R60-E65 PolarHBondContact NH2-OE1 3.02Å; R60-E65 IonicContact NH2-OE2 2.69Å; R60-E65 PolarHBondContact NH2-OE2 3.23Å
61	H	93.6	Very high	95	Very high	80 Å²	80	52.8 Å²	52.8	37%	0.37	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	30.1	-175.3	-44.5	-85.8	0	0	0	113.2	A57 T58 V63 D93 E95 I98	A57-H61 PolarHBondContact O-N 3.17Å; T58-H61 PolarHBondContact O-N 3.13Å; H61-V63 PolarHBondContact O-N 2.87Å; H61-D93 IonicContact CE1-OD2 3Å; H61-D93 PolarHBondContact CE1-OD2 2.87Å; H61-E95 IonicContact CE1-OE1 3.35Å; H61-E95 IonicContact CG-OE1 3.4Å; H61-E95 VanDerWaalsContact ND1-CG 3.25Å; H61-E95 WeakPolarHBondContact ND1-CG 3.48Å; H61-E95 IonicContact ND1-OE1 2.86Å; H61-E95 PolarHBondContact ND1-OE1 2.88Å; H61-I98 HydrophobicContact CB-CD1 4.49Å
62	D	96.1	Very high	95.3	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.294	29%	0.293	S	S	.	.			trans	-88.5	87	-179.1	-164.7	-30.4	0	0	0	110.9	A57 R60 D64 E65 V66	A57-D62 PolarHBondContact O-N 2.85Å; R60-D62 IonicContact NH1-OD2 3.22Å; R60-D62 PolarHBondContact O-N 3.04Å; D62-D64 VanDerWaalsContact C-N 3.28Å; D62-D64 PolarHBondContact O-N 2.95Å; D62-D64 PolarHBondContact OD1-N 3.21Å; D62-E65 HydrophobicContact CB-CB 4.01Å; D62-E65 VanDerWaalsContact CG-CB 3.49Å; D62-E65 PolarHBondContact O-N 3.46Å; D62-E65 WeakPolarHBondContact OD1-CB 3.35Å; D62-E65 PolarHBondContact OD1-N 3.5Å; D62-V66 VanDerWaalsContact O-CG2 3.3Å; D62-V66 WeakPolarHBondContact O-CG2 3.44Å; D62-V66 PolarHBondContact O-N 3.41Å
63	V	96.3	Very high	95.4	Very high	35 Å²	35	58 Å²	58	21%	0.212	30%	0.301	C	S	.	.	H	α-helix	trans	-57.3	-40.6	-177.6	-174.2	0	0	0	0	112.1	H61 V66 R67 V97 I98	H61-V63 PolarHBondContact O-N 2.87Å; V63-V66 PolarHBondContact O-N 3.27Å; V63-R67 WeakPolarHBondContact O-CB 3.48Å; V63-R67 VanDerWaalsContact O-CG 3.32Å; V63-R67 WeakPolarHBondContact O-CG 3.31Å; V63-R67 PolarHBondContact O-N 3.3Å; V63-V97 HydrophobicContact CG1-CG1 3.79Å; V63-V97 HydrophobicContact CG2-CG1 4.26Å; V63-I98 HydrophobicContact CB-CG1 4.41Å; V63-I98 HydrophobicContact CG2-CD1 4.14Å; V63-I98 HydrophobicContact CG2-CG1 3.74Å
64	D	96.8	Very high	95.4	Very high	117 Å²	117	56.3 Å²	56.3	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-71.5	-42.1	-175.4	-72.1	-39.2	0	0	0	110.9	D62 R67 Q68	D62-D64 VanDerWaalsContact C-N 3.28Å; D62-D64 PolarHBondContact O-N 2.95Å; D62-D64 PolarHBondContact OD1-N 3.21Å; D64-R67 PolarHBondContact O-N 3.48Å; D64-Q68 WeakPolarHBondContact O-CB 3.21Å; D64-Q68 PolarHBondContact O-N 2.91Å
65	E	96	Very high	95.4	Very high	54 Å²	54	60.3 Å²	60.3	25%	0.252	31%	0.314	S	S	.	.	H	α-helix	trans	-65.2	-42.7	174.6	-170	172.9	178.3	0	0	111.3	A57 R60 D62 R67 Q68 L69	A57-E65 HydrophobicContact CB-CB 4.21Å; A57-E65 HydrophobicContact CB-CG 3.96Å; R60-E65 IonicContact CZ-OE2 3.69Å; R60-E65 VanDerWaalsContact CZ-OE2 3.23Å; R60-E65 IonicContact NH1-OE2 3.98Å; R60-E65 PolarHBondContact NH1-OE2 3.3Å; R60-E65 IonicContact NH2-OE1 3.84Å; R60-E65 PolarHBondContact NH2-OE1 3.02Å; R60-E65 IonicContact NH2-OE2 2.69Å; R60-E65 PolarHBondContact NH2-OE2 3.23Å; D62-E65 HydrophobicContact CB-CB 4.01Å; D62-E65 VanDerWaalsContact CG-CB 3.49Å; D62-E65 PolarHBondContact O-N 3.46Å; D62-E65 WeakPolarHBondContact OD1-CB 3.35Å; D62-E65 PolarHBondContact OD1-N 3.5Å; E65-R67 PolarHBondContact O-N 2.84Å; E65-Q68 PolarHBondContact O-N 3.37Å; E65-L69 HydrophobicContact CG-CD1 3.99Å; E65-L69 HydrophobicContact CG-CG 4.34Å; E65-L69 WeakPolarHBondContact O-CB 3.45Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å; E65-L69 PolarHBondContact O-N 2.92Å
66	V	97.1	Very high	95.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-49.2	174.3	169.6	0	0	0	0	111	L54 A57 D62 V63 Q68 L69 L70 I98 V101 L102	L54-V66 HydrophobicContact CD1-CB 4.4Å; L54-V66 HydrophobicContact CD1-CG1 3.89Å; L54-V66 HydrophobicContact CD1-CG2 4.35Å; A57-V66 HydrophobicContact CB-CG2 3.82Å; D62-V66 VanDerWaalsContact O-CG2 3.3Å; D62-V66 WeakPolarHBondContact O-CG2 3.44Å; D62-V66 PolarHBondContact O-N 3.41Å; V63-V66 PolarHBondContact O-N 3.27Å; V66-Q68 VanDerWaalsContact C-N 3.32Å; V66-Q68 PolarHBondContact O-N 3.37Å; V66-L69 PolarHBondContact O-N 3.25Å; V66-L70 HydrophobicContact CG1-CD1 3.75Å; V66-L70 HydrophobicContact CG1-CG 4.42Å; V66-L70 VanDerWaalsContact O-CG 3.32Å; V66-L70 WeakPolarHBondContact O-CG 3.28Å; V66-L70 PolarHBondContact O-N 2.97Å; V66-I98 HydrophobicContact CG1-CG2 4.02Å; V66-I98 HydrophobicContact CG2-CG2 4.29Å; V66-V101 HydrophobicContact CG1-CG1 4.3Å; V66-L102 HydrophobicContact CG1-CD2 4.44Å
67	R	97.3	Very high	95.7	Very high	111 Å²	111	58.8 Å²	58.8	42%	0.419	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-43.7	176.1	-76.9	176.4	179.2	-178.5	1.2	111.9	V63 D64 E65 N71 V101	V63-R67 WeakPolarHBondContact O-CB 3.48Å; V63-R67 VanDerWaalsContact O-CG 3.32Å; V63-R67 WeakPolarHBondContact O-CG 3.31Å; V63-R67 PolarHBondContact O-N 3.3Å; D64-R67 PolarHBondContact O-N 3.48Å; E65-R67 PolarHBondContact O-N 2.84Å; R67-N71 WeakPolarHBondContact O-CB 3.44Å; R67-N71 PolarHBondContact O-N 3.39Å; R67-N71 PolarHBondContact O-ND2 3.03Å; R67-V101 HydrophobicContact CG-CB 4.48Å; R67-V101 HydrophobicContact CG-CG1 3.6Å; R67-V101 HydrophobicContact CG-CG2 3.99Å
68	Q	96.4	Very high	95.7	Very high	124 Å²	124	59.6 Å²	59.6	58%	0.579	32%	0.315	S	S	*	.	H	α-helix	trans	-63.7	-44.8	179.6	-174.6	179.8	-0.2	0	0	111.2	D64 E65 V66 N71 L72	D64-Q68 WeakPolarHBondContact O-CB 3.21Å; D64-Q68 PolarHBondContact O-N 2.91Å; E65-Q68 PolarHBondContact O-N 3.37Å; V66-Q68 VanDerWaalsContact C-N 3.32Å; V66-Q68 PolarHBondContact O-N 3.37Å; Q68-N71 PolarHBondContact O-N 3.39Å; Q68-L72 HydrophobicContact CG-CD1 4.14Å; Q68-L72 VanDerWaalsContact O-CG 3.28Å; Q68-L72 WeakPolarHBondContact O-CG 3.18Å; Q68-L72 PolarHBondContact O-N 3.06Å
69	L	95.7	Very high	95.6	Very high	26 Å²	26	65.1 Å²	65.1	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-45	179.8	-70.4	168.1	0	0	0	111.6	V53 L54 A57 E65 V66 L72 G73 A74	V53-L69 HydrophobicContact CB-CD1 4.49Å; V53-L69 HydrophobicContact CG1-CD1 3.85Å; V53-L69 HydrophobicContact CG1-CD2 3.95Å; L54-L69 HydrophobicContact CB-CD1 4.42Å; L54-L69 HydrophobicContact CD1-CB 4.24Å; L54-L69 HydrophobicContact CD1-CD1 4.38Å; A57-L69 HydrophobicContact CB-CD1 3.87Å; E65-L69 HydrophobicContact CG-CD1 3.99Å; E65-L69 HydrophobicContact CG-CG 4.34Å; E65-L69 WeakPolarHBondContact O-CB 3.45Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å; E65-L69 PolarHBondContact O-N 2.92Å; V66-L69 PolarHBondContact O-N 3.25Å; L69-L72 PolarHBondContact O-N 3.23Å; L69-G73 PolarHBondContact O-N 3.31Å; L69-A74 HydrophobicContact CB-CB 4.08Å; L69-A74 WeakPolarHBondContact O-CB 3.37Å; L69-A74 PolarHBondContact O-N 3.18Å
70	L	96.6	Very high	95.6	Very high	10 Å²	10	66.7 Å²	66.7	5%	0.052	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-41.9	177.8	-66.5	167.9	0	0	0	111.9	L54 V66 L72 G73 P76 V101 L102 H105	L54-L70 HydrophobicContact CD1-CD2 4.17Å; L54-L70 HydrophobicContact CD1-CG 4.11Å; L54-L70 HydrophobicContact CD2-CD2 3.94Å; V66-L70 HydrophobicContact CG1-CD1 3.75Å; V66-L70 HydrophobicContact CG1-CG 4.42Å; V66-L70 VanDerWaalsContact O-CG 3.32Å; V66-L70 WeakPolarHBondContact O-CG 3.28Å; V66-L70 PolarHBondContact O-N 2.97Å; L70-L72 PolarHBondContact O-N 3Å; L70-G73 WeakPolarHBondContact O-CA 3.32Å; L70-G73 PolarHBondContact O-N 3.27Å; L70-P76 HydrophobicContact CD2-CB 3.87Å; L70-V101 HydrophobicContact CD1-CG1 3.69Å; L70-L102 HydrophobicContact CD1-CD2 4.04Å; L70-L102 HydrophobicContact CD2-CD2 4.37Å; L70-H105 HydrophobicContact CB-CB 4.28Å; L70-H105 HydrophobicContact CD1-CB 4.12Å; L70-H105 HydrophobicContact CD2-CB 4.25Å; L70-H105 HydrophobicContact CG-CB 4.46Å
71	N	96.4	Very high	95.5	Very high	124 Å²	124	71.2 Å²	71.2	66%	0.663	37%	0.373	S	S	*	.	H	α-helix	trans	-63.5	-27.2	174.1	-78.1	-53.6	0	0	0	113.3	R67 Q68 G73	R67-N71 WeakPolarHBondContact O-CB 3.44Å; R67-N71 PolarHBondContact O-N 3.39Å; R67-N71 PolarHBondContact O-ND2 3.03Å; Q68-N71 PolarHBondContact O-N 3.39Å; N71-G73 PolarHBondContact O-N 3.02Å
72	L	95.3	Very high	95.4	Very high	136 Å²	136	71.7 Å²	71.7	71%	0.712	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	0.7	172.9	-70	171.7	0	0	0	113.2	Q68 L69 L70	Q68-L72 HydrophobicContact CG-CD1 4.14Å; Q68-L72 VanDerWaalsContact O-CG 3.28Å; Q68-L72 WeakPolarHBondContact O-CG 3.18Å; Q68-L72 PolarHBondContact O-N 3.06Å; L69-L72 PolarHBondContact O-N 3.23Å; L70-L72 PolarHBondContact O-N 3Å
73	G	94	Very high	95.2	Very high	63 Å²	63	69.6 Å²	69.6	65%	0.649	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	25.2	179.1	0	0	0	0	0	114.3	L69 L70 N71	L69-G73 PolarHBondContact O-N 3.31Å; L70-G73 WeakPolarHBondContact O-CA 3.32Å; L70-G73 PolarHBondContact O-N 3.27Å; N71-G73 PolarHBondContact O-N 3.02Å
74	A	95.1	Very high	95.2	Very high	7 Å²	7	69.9 Å²	69.9	6%	0.058	37%	0.37	C	S	.	.			trans	-60.9	137.5	165.4	0	0	0	0	0	109.8	L54 L69 P76	L54-A74 HydrophobicContact CD2-CB 4.42Å; L69-A74 HydrophobicContact CB-CB 4.08Å; L69-A74 WeakPolarHBondContact O-CB 3.37Å; L69-A74 PolarHBondContact O-N 3.18Å; A74-P76 WeakPolarHBondContact O-CD 3.34Å
75	D	96.1	Very high	95.2	Very high	86 Å²	86	64.6 Å²	64.6	46%	0.46	34%	0.341	S	S	.	.			trans	-72.3	116.1	177.5	-178.7	4.6	0	0	0	109.6	L54 N77 A78	L54-D75 WeakPolarHBondContact CD2-O 3.5Å; D75-N77 PolarHBondContact O-N 3.46Å; D75-N77 WeakPolarHBondContact OD1-CB 3.29Å; D75-N77 PolarHBondContact OD1-N 3.24Å; D75-A78 WeakPolarHBondContact O-CB 3.5Å; D75-A78 PolarHBondContact O-N 2.75Å
76	P	96.2	Very high	95.2	Very high	16 Å²	16	62 Å²	62	10%	0.104	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.5	178.1	29.2	-37.6	0	0	0	113	L70 A74 H105 A107	L70-P76 HydrophobicContact CD2-CB 3.87Å; A74-P76 WeakPolarHBondContact O-CD 3.34Å; P76-H105 WeakPolarHBondContact CG-O 3.38Å; P76-A107 HydrophobicContact CB-CB 4.07Å
77	N	96.8	Very high	95.2	Very high	53 Å²	53	62 Å²	62	28%	0.283	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	9	-179.7	-61	-61.8	0	0	0	113.1	D75 G106 N108	D75-N77 PolarHBondContact O-N 3.46Å; D75-N77 WeakPolarHBondContact OD1-CB 3.29Å; D75-N77 PolarHBondContact OD1-N 3.24Å; N77-G106 PolarHBondContact ND2-O 3.18Å; N77-N108 WeakPolarHBondContact OD1-CB 3.42Å; N77-N108 PolarHBondContact OD1-N 3.44Å
78	A	95.5	Very high	95.2	Very high	17 Å²	17	56.9 Å²	56.9	14%	0.14	31%	0.31	C	S	.	.			trans	-59.6	140.9	172.3	0	0	0	0	0	110.9	D75 T85	D75-A78 WeakPolarHBondContact O-CB 3.5Å; D75-A78 PolarHBondContact O-N 2.75Å; A78-T85 WeakPolarHBondContact O-CA 3.32Å
79	H	94.3	Very high	95.2	Very high	119 Å²	119	53 Å²	53	55%	0.551	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-135	161.5	-177.8	63.9	79.6	0	0	0	112.8	L84 T85	H79-L84 CarbonylContact C-O 3.56Å; H79-L84 WeakPolarHBondContact CA-O 3.4Å; H79-L84 VanDerWaalsContact CB-O 3.31Å; H79-L84 WeakPolarHBondContact CB-O 3.38Å; H79-T85 HydrophobicContact CB-CG2 4.02Å
80	N	92.6	Very high	95.2	Very high	60 Å²	60	51.8 Å²	51.8	32%	0.321	29%	0.286	S	S	.	.			trans	-80.3	-172.5	174	73.4	-4.9	0	0	0	112	L55 D82 G83 L84	L55-N80 HydrophobicContact CD1-CB 4.25Å; N80-D82 PolarHBondContact O-N 2.94Å; N80-D82 PolarHBondContact OD1-N 3.29Å; N80-D82 VanDerWaalsContact OD1-N 3.07Å; N80-G83 PolarHBondContact O-N 3.17Å; N80-G83 VanDerWaalsContact O-N 3.13Å; N80-G83 PolarHBondContact OD1-N 3.04Å; N80-G83 VanDerWaalsContact OD1-N 3.13Å; N80-L84 PolarHBondContact N-O 3.35Å; N80-L84 WeakPolarHBondContact OD1-CB 3.5Å; N80-L84 PolarHBondContact OD1-N 3.47Å
81	E	92.4	Very high	95.2	Very high	202 Å²	202	51.3 Å²	51.3	94%	0.944	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.2	179.5	-63.4	-176.5	171.2	0	0	113.1	G83	E81-G83 VanDerWaalsContact C-N 3.33Å
82	D	89.7	Confident	95.2	Very high	90 Å²	90	47.3 Å²	47.3	48%	0.481	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-3.6	178.6	-53.1	-52.7	0	0	0	113	N80 L84 D113 S114	N80-D82 PolarHBondContact O-N 2.94Å; N80-D82 PolarHBondContact OD1-N 3.29Å; N80-D82 VanDerWaalsContact OD1-N 3.07Å; D82-L84 HydrophobicContact CB-CG 4.38Å; D82-D113 WeakPolarHBondContact O-CB 3.23Å; D82-S114 WeakPolarHBondContact O-CB 3.3Å; D82-S114 PolarHBondContact O-N 3.47Å; D82-S114 PolarHBondContact O-OG 3.4Å
83	G	93.5	Very high	95.1	Very high	11 Å²	11	43.4 Å²	43.4	11%	0.113	24%	0.241	C	C	.	.			trans	86.5	5	-176.6	0	0	0	0	0	115	N80 E81 T85	N80-G83 PolarHBondContact O-N 3.17Å; N80-G83 VanDerWaalsContact O-N 3.13Å; N80-G83 PolarHBondContact OD1-N 3.04Å; N80-G83 VanDerWaalsContact OD1-N 3.13Å; E81-G83 VanDerWaalsContact C-N 3.33Å; G83-T85 PolarHBondContact O-N 2.74Å
84	L	94.5	Very high	95.2	Very high	41 Å²	41	41.8 Å²	41.8	22%	0.215	22%	0.218	C	C	.	.			trans	-74.6	123.8	178.6	-62.4	171.6	0	0	0	111.2	H79 N80 D82 H88 D113	H79-L84 CarbonylContact C-O 3.56Å; H79-L84 WeakPolarHBondContact CA-O 3.4Å; H79-L84 VanDerWaalsContact CB-O 3.31Å; H79-L84 WeakPolarHBondContact CB-O 3.38Å; N80-L84 PolarHBondContact N-O 3.35Å; N80-L84 WeakPolarHBondContact OD1-CB 3.5Å; N80-L84 PolarHBondContact OD1-N 3.47Å; D82-L84 HydrophobicContact CB-CG 4.38Å; L84-H88 HydrophobicContact CB-CB 4.38Å; L84-H88 HydrophobicContact CD2-CB 3.9Å; L84-D113 HydrophobicContact CD2-CB 3.92Å; L84-D113 HydrophobicContact CG-CB 4.46Å
85	T	97.1	Very high	95.2	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.037	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-89.6	168	174.8	63.6	0	0	0	0	111.6	A78 H79 G83 L87 H88 Q89 S111	A78-T85 WeakPolarHBondContact O-CA 3.32Å; H79-T85 HydrophobicContact CB-CG2 4.02Å; G83-T85 PolarHBondContact O-N 2.74Å; T85-L87 PolarHBondContact O-N 3.43Å; T85-L87 PolarHBondContact OG1-N 3.33Å; T85-H88 PolarHBondContact N-ND1 3.36Å; T85-H88 WeakPolarHBondContact O-CB 3.22Å; T85-H88 PolarHBondContact O-N 3.01Å; T85-H88 PolarHBondContact OG1-N 3.46Å; T85-H88 PolarHBondContact OG1-ND1 3.2Å; T85-Q89 PolarHBondContact O-N 2.9Å; T85-S111 PolarHBondContact OG1-OG 3.03Å
86	A	96.9	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-32.2	171.5	0	0	0	0	0	112	L55 T58 Q89 C90 L102	L55-A86 HydrophobicContact CD2-CB 4.08Å; L55-A86 VanDerWaalsContact CD2-N 3.3Å; T58-A86 HydrophobicContact CG2-CB 4.11Å; A86-Q89 PolarHBondContact O-N 3.48Å; A86-C90 PolarHBondContact O-N 3.41Å; A86-C90 PolarHBondContact O-SG 3.14Å; A86-L102 HydrophobicContact CB-CD1 3.7Å; A86-L102 HydrophobicContact CB-CD2 3.91Å; A86-L102 HydrophobicContact CB-CG 4.5Å
87	L	97.6	Very high	95.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-35.9	177.6	-167.4	62	0	0	0	112.6	T85 C90 A91 M99 I103 A107 P119 L135	T85-L87 PolarHBondContact O-N 3.43Å; T85-L87 PolarHBondContact OG1-N 3.33Å; L87-C90 PolarHBondContact O-N 2.93Å; L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 3.35Å; L87-M99 HydrophobicContact CD1-CB 4.38Å; L87-M99 HydrophobicContact CD1-CE 4.35Å; L87-M99 HydrophobicContact CD1-CG 3.6Å; L87-M99 HydrophobicContact CD1-SD 4.46Å; L87-I103 HydrophobicContact CD1-CD1 4.47Å; L87-I103 HydrophobicContact CD1-CG1 4.26Å; L87-A107 HydrophobicContact CD2-CB 4.28Å; L87-P119 HydrophobicContact CB-CG 4.23Å; L87-P119 HydrophobicContact CD2-CB 4.36Å; L87-P119 HydrophobicContact CD2-CG 3.9Å; L87-P119 HydrophobicContact CG-CB 4.06Å; L87-P119 HydrophobicContact CG-CG 3.86Å; L87-L135 HydrophobicContact CD1-CD2 4.25Å; L87-L135 HydrophobicContact CD2-CD2 4.16Å; L87-L135 HydrophobicContact CG-CD2 4.22Å
88	H	97.3	Very high	95.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-45.7	170.9	-71.5	89.5	0	0	0	110.9	L84 T85 C90 A91 I92 S111 W117	L84-H88 HydrophobicContact CB-CB 4.38Å; L84-H88 HydrophobicContact CD2-CB 3.9Å; T85-H88 PolarHBondContact N-ND1 3.36Å; T85-H88 WeakPolarHBondContact O-CB 3.22Å; T85-H88 PolarHBondContact O-N 3.01Å; T85-H88 PolarHBondContact OG1-N 3.46Å; T85-H88 PolarHBondContact OG1-ND1 3.2Å; H88-C90 VanDerWaalsContact C-N 3.34Å; H88-C90 PolarHBondContact O-N 2.95Å; H88-A91 WeakPolarHBondContact O-CB 3.27Å; H88-A91 PolarHBondContact O-N 3.15Å; H88-A91 VanDerWaalsContact O-N 3.13Å; H88-I92 WeakPolarHBondContact O-CG1 3.43Å; H88-I92 PolarHBondContact O-N 3.43Å; H88-S111 PolarHBondContact CE1-O 3.47Å; H88-S111 PolarHBondContact CE1-OG 2.86Å; H88-S111 PolarHBondContact ND1-OG 2.98Å; H88-S111 PolarHBondContact NE2-O 3.39Å; H88-W117 PolarHBondContact NE2-O 3.13Å
89	Q	95.4	Very high	95.3	Very high	44 Å²	44	40.8 Å²	40.8	21%	0.206	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-44.8	178.5	-169.6	61.8	51.5	0	0	111.5	T58 T85 A86 A91 I92 D93	T58-Q89 HydrophobicContact CG2-CB 4.22Å; T58-Q89 HydrophobicContact CG2-CG 4.37Å; T85-Q89 PolarHBondContact O-N 2.9Å; A86-Q89 PolarHBondContact O-N 3.48Å; Q89-A91 VanDerWaalsContact C-N 3.27Å; Q89-A91 PolarHBondContact O-N 3.04Å; Q89-I92 PolarHBondContact O-N 3.47Å; Q89-I92 VanDerWaalsContact O-N 3.15Å; Q89-D93 VanDerWaalsContact NE2-CG 3.33Å; Q89-D93 PolarHBondContact NE2-OD1 3.21Å; Q89-D93 PolarHBondContact NE2-OD2 2.92Å; Q89-D93 PolarHBondContact O-N 2.98Å
90	C	97	Very high	95.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-36.1	176.1	-63.1	0	0	0	0	112.6	T58 A86 L87 H88 I92 D93 D94 E95 I98 M99 L102	T58-C90 WeakPolarHBondContact CG2-SG 3.49Å; A86-C90 PolarHBondContact O-N 3.41Å; A86-C90 PolarHBondContact O-SG 3.14Å; L87-C90 PolarHBondContact O-N 2.93Å; H88-C90 VanDerWaalsContact C-N 3.34Å; H88-C90 PolarHBondContact O-N 2.95Å; C90-I92 VanDerWaalsContact C-N 3.34Å; C90-D93 PolarHBondContact O-N 3.3Å; C90-D94 PolarHBondContact O-N 3.19Å; C90-D94 VanDerWaalsContact O-N 3.08Å; C90-E95 HydrophobicContact CB-CB 4.15Å; C90-E95 PolarHBondContact O-N 2.93Å; C90-I98 VanDerWaalsContact SG-CG2 3.53Å; C90-M99 HydrophobicContact CB-CB 4.14Å; C90-M99 HydrophobicContact CB-CE 3.86Å; C90-L102 VanDerWaalsContact SG-CD1 3.59Å
91	A	96.7	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.4	-30.9	177.4	0	0	0	0	0	113	L87 H88 Q89 M99 P119 A122 A123 H128 L135	L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 3.35Å; H88-A91 WeakPolarHBondContact O-CB 3.27Å; H88-A91 PolarHBondContact O-N 3.15Å; H88-A91 VanDerWaalsContact O-N 3.13Å; Q89-A91 VanDerWaalsContact C-N 3.27Å; Q89-A91 PolarHBondContact O-N 3.04Å; A91-M99 HydrophobicContact CB-CE 4Å; A91-P119 HydrophobicContact CB-CB 4.15Å; A91-P119 VanDerWaalsContact CB-O 3.27Å; A91-P119 WeakPolarHBondContact CB-O 3.43Å; A91-A122 HydrophobicContact CB-CB 4.1Å; A91-A123 HydrophobicContact CB-CB 4.1Å; A91-H128 PolarHBondContact O-CD2 3.37Å; A91-L135 HydrophobicContact CB-CD1 4.28Å
92	I	94.8	Very high	95.9	Very high	39 Å²	39	27.7 Å²	27.7	20%	0.2	15%	0.146	C	C	.	.	H	α-helix	trans	-75.7	-35.4	174.7	-65	167.3	0	0	0	111.3	H88 Q89 C90 A122 H128 V423	H88-I92 WeakPolarHBondContact O-CG1 3.43Å; H88-I92 PolarHBondContact O-N 3.43Å; Q89-I92 PolarHBondContact O-N 3.47Å; Q89-I92 VanDerWaalsContact O-N 3.15Å; C90-I92 VanDerWaalsContact C-N 3.34Å; I92-A122 HydrophobicContact CG1-CB 3.88Å; I92-H128 PolarHBondContact O-CD2 3.46Å; I92-H128 VanDerWaalsContact O-CD2 3.31Å; I92-H128 PolarHBondContact O-NE2 2.85Å; I92-V423 HydrophobicContact CG2-CG1 3.92Å
93	D	94.4	Very high	96.3	Very high	54 Å²	54	24.5 Å²	24.5	29%	0.289	13%	0.129	S	C	.	.	H	α-helix	trans	-95.8	-2.5	-173.3	-63.5	-29.9	0	0	0	114.6	H61 Q89 C90 E95	H61-D93 IonicContact CE1-OD2 3Å; H61-D93 PolarHBondContact CE1-OD2 2.87Å; Q89-D93 VanDerWaalsContact NE2-CG 3.33Å; Q89-D93 PolarHBondContact NE2-OD1 3.21Å; Q89-D93 PolarHBondContact NE2-OD2 2.92Å; Q89-D93 PolarHBondContact O-N 2.98Å; C90-D93 PolarHBondContact O-N 3.3Å; D93-E95 HydrophobicContact CB-CG 3.98Å
94	D	95.1	Very high	96.5	Very high	29 Å²	29	30.2 Å²	30.2	16%	0.155	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	36.8	-172.8	-158.9	34.5	0	0	0	113.9	C90 D96 H128 R130 A131	C90-D94 PolarHBondContact O-N 3.19Å; C90-D94 VanDerWaalsContact O-N 3.08Å; D94-D96 PolarHBondContact O-N 3.32Å; D94-H128 HydrophobicContact CB-CB 4.2Å; D94-R130 IonicContact OD2-CZ 3.01Å; D94-R130 VanDerWaalsContact OD2-CZ 3.26Å; D94-R130 IonicContact OD2-NE 3.7Å; D94-R130 PolarHBondContact OD2-NE 3.41Å; D94-R130 IonicContact OD2-NH2 3.02Å; D94-R130 PolarHBondContact OD2-NH2 3.17Å; D94-A131 PolarHBondContact OD1-N 3.36Å
95	E	95.2	Very high	96.6	Very high	48 Å²	48	31.7 Å²	31.7	22%	0.224	16%	0.163	C	C	.	.			trans	-87.8	80	-178.3	-71.9	-63.4	162.4	0	0	112.8	H61 C90 D93 V97 I98 M99	H61-E95 IonicContact CE1-OE1 3.35Å; H61-E95 IonicContact CG-OE1 3.4Å; H61-E95 VanDerWaalsContact ND1-CG 3.25Å; H61-E95 WeakPolarHBondContact ND1-CG 3.48Å; H61-E95 IonicContact ND1-OE1 2.86Å; H61-E95 PolarHBondContact ND1-OE1 2.88Å; C90-E95 HydrophobicContact CB-CB 4.15Å; C90-E95 PolarHBondContact O-N 2.93Å; D93-E95 HydrophobicContact CB-CG 3.98Å; E95-V97 PolarHBondContact O-N 2.66Å; E95-I98 HydrophobicContact CB-CB 4.33Å; E95-M99 WeakPolarHBondContact O-CB 3.5Å; E95-M99 PolarHBondContact O-N 3.17Å
96	D	95	Very high	96.6	Very high	49 Å²	49	33.6 Å²	33.6	26%	0.262	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-42.4	-178.8	56.7	1.9	0	0	0	114.1	D94 M99 Q100 I134	D94-D96 PolarHBondContact O-N 3.32Å; D96-M99 PolarHBondContact O-N 3.37Å; D96-Q100 WeakPolarHBondContact O-CG 3.36Å; D96-Q100 PolarHBondContact O-N 3.45Å; D96-I134 HydrophobicContact CB-CD1 3.41Å; D96-I134 VanDerWaalsContact CB-CD1 3.41Å
97	V	96.8	Very high	96.6	Very high	60 Å²	60	34.1 Å²	34.1	36%	0.364	19%	0.188	S	C	.	.	H	α-helix	trans	-66.4	-45.8	-178.2	-177.5	0	0	0	0	111.4	V63 E95 M99 Q100 V101	V63-V97 HydrophobicContact CG1-CG1 3.79Å; V63-V97 HydrophobicContact CG2-CG1 4.26Å; E95-V97 PolarHBondContact O-N 2.66Å; V97-M99 VanDerWaalsContact C-N 3.35Å; V97-Q100 PolarHBondContact O-N 2.89Å; V97-V101 VanDerWaalsContact O-CG2 3.31Å; V97-V101 WeakPolarHBondContact O-CG2 3.37Å; V97-V101 PolarHBondContact O-N 3.2Å; V97-V101 VanDerWaalsContact O-N 3.13Å
98	I	97.3	Very high	96.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-69.8	-38.9	179.6	-58.3	-179.1	0	0	0	109.8	T58 H61 V63 V66 C90 E95 Q100 V101 L102	T58-I98 HydrophobicContact CG2-CG2 4.19Å; H61-I98 HydrophobicContact CB-CD1 4.49Å; V63-I98 HydrophobicContact CB-CG1 4.41Å; V63-I98 HydrophobicContact CG2-CD1 4.14Å; V63-I98 HydrophobicContact CG2-CG1 3.74Å; V66-I98 HydrophobicContact CG1-CG2 4.02Å; V66-I98 HydrophobicContact CG2-CG2 4.29Å; C90-I98 VanDerWaalsContact SG-CG2 3.53Å; E95-I98 HydrophobicContact CB-CB 4.33Å; I98-Q100 PolarHBondContact O-N 2.69Å; I98-V101 PolarHBondContact O-N 3.17Å; I98-L102 HydrophobicContact CG2-CD1 3.91Å; I98-L102 HydrophobicContact CG2-CG 4.2Å; I98-L102 WeakPolarHBondContact O-CG 3.42Å; I98-L102 PolarHBondContact O-N 2.9Å
99	M	97.7	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.9	-49.1	174.7	-177.1	169.7	-63.6	0	0	112	L87 C90 A91 E95 D96 V97 V101 L102 I103 A131 I134 L135	L87-M99 HydrophobicContact CD1-CB 4.38Å; L87-M99 HydrophobicContact CD1-CE 4.35Å; L87-M99 HydrophobicContact CD1-CG 3.6Å; L87-M99 HydrophobicContact CD1-SD 4.46Å; C90-M99 HydrophobicContact CB-CB 4.14Å; C90-M99 HydrophobicContact CB-CE 3.86Å; A91-M99 HydrophobicContact CB-CE 4Å; E95-M99 WeakPolarHBondContact O-CB 3.5Å; E95-M99 PolarHBondContact O-N 3.17Å; D96-M99 PolarHBondContact O-N 3.37Å; V97-M99 VanDerWaalsContact C-N 3.35Å; M99-V101 PolarHBondContact O-N 3.28Å; M99-L102 PolarHBondContact O-N 3.32Å; M99-I103 HydrophobicContact CG-CD1 3.82Å; M99-I103 VanDerWaalsContact O-CG1 3.25Å; M99-I103 WeakPolarHBondContact O-CG1 3.35Å; M99-I103 PolarHBondContact O-N 2.86Å; M99-A131 HydrophobicContact CE-CB 3.84Å; M99-A131 HydrophobicContact SD-CB 4.33Å; M99-I134 HydrophobicContact CG-CG2 3.76Å; M99-I134 HydrophobicContact SD-CB 3.86Å; M99-I134 HydrophobicContact SD-CD1 4.48Å; M99-I134 HydrophobicContact SD-CG2 3.7Å; M99-L135 HydrophobicContact CE-CD1 4.39Å; M99-L135 HydrophobicContact CE-CD2 4.36Å; M99-L135 HydrophobicContact CE-CG 4.31Å; M99-L135 HydrophobicContact SD-CD1 4.47Å; M99-L135 HydrophobicContact SD-CD2 3.93Å; M99-L135 HydrophobicContact SD-CG 3.8Å
100	Q	97.1	Very high	96.8	Very high	100 Å²	100	37.8 Å²	37.8	47%	0.467	21%	0.209	S	C	.	.	H	α-helix	trans	-60.3	-45.4	175.9	-73.4	175	22.5	0	0	111.8	D96 V97 I98 L102 I103 D104 I134	D96-Q100 WeakPolarHBondContact O-CG 3.36Å; D96-Q100 PolarHBondContact O-N 3.45Å; V97-Q100 PolarHBondContact O-N 2.89Å; I98-Q100 PolarHBondContact O-N 2.69Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; Q100-L102 PolarHBondContact O-N 3.48Å; Q100-I103 PolarHBondContact O-N 2.84Å; Q100-D104 WeakPolarHBondContact O-CB 3.29Å; Q100-D104 PolarHBondContact O-N 3.1Å; Q100-I134 HydrophobicContact CG-CD1 4.44Å; Q100-I134 HydrophobicContact CG-CG2 4.36Å
101	V	97.6	Very high	96.8	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-44.6	177.3	170.5	0	0	0	0	111.2	V66 R67 L70 V97 I98 M99 D104 H105	V66-V101 HydrophobicContact CG1-CG1 4.3Å; R67-V101 HydrophobicContact CG-CB 4.48Å; R67-V101 HydrophobicContact CG-CG1 3.6Å; R67-V101 HydrophobicContact CG-CG2 3.99Å; L70-V101 HydrophobicContact CD1-CG1 3.69Å; V97-V101 VanDerWaalsContact O-CG2 3.31Å; V97-V101 WeakPolarHBondContact O-CG2 3.37Å; V97-V101 PolarHBondContact O-N 3.2Å; V97-V101 VanDerWaalsContact O-N 3.13Å; I98-V101 PolarHBondContact O-N 3.17Å; M99-V101 PolarHBondContact O-N 3.28Å; V101-D104 PolarHBondContact O-N 3.06Å; V101-H105 PolarHBondContact O-N 3.15Å; V101-H105 PolarHBondContact O-ND1 3.39Å
102	L	97.7	Very high	96.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-45.5	178.4	-73.5	166.9	0	0	0	111.5	L54 V66 L70 A86 C90 I98 M99 Q100 H105 G106 A107	L54-L102 HydrophobicContact CD2-CD2 4.47Å; V66-L102 HydrophobicContact CG1-CD2 4.44Å; L70-L102 HydrophobicContact CD1-CD2 4.04Å; L70-L102 HydrophobicContact CD2-CD2 4.37Å; A86-L102 HydrophobicContact CB-CD1 3.7Å; A86-L102 HydrophobicContact CB-CD2 3.91Å; A86-L102 HydrophobicContact CB-CG 4.5Å; C90-L102 VanDerWaalsContact SG-CD1 3.59Å; I98-L102 HydrophobicContact CG2-CD1 3.91Å; I98-L102 HydrophobicContact CG2-CG 4.2Å; I98-L102 WeakPolarHBondContact O-CG 3.42Å; I98-L102 PolarHBondContact O-N 2.9Å; M99-L102 PolarHBondContact O-N 3.32Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; Q100-L102 PolarHBondContact O-N 3.48Å; L102-H105 CarbonylContact O-C 3.58Å; L102-H105 PolarHBondContact O-N 2.85Å; L102-G106 PolarHBondContact O-N 3.19Å; L102-A107 VanDerWaalsContact C-CB 3.49Å; L102-A107 HydrophobicContact CB-CB 3.89Å; L102-A107 WeakPolarHBondContact O-CB 3.41Å; L102-A107 PolarHBondContact O-N 3.34Å
103	I	97.7	Very high	96.8	Very high	22 Å²	22	42.3 Å²	42.3	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-44.7	178.5	-68.5	167.7	0	0	0	110.8	L87 M99 Q100 H105 G106 V109 I134 N138	L87-I103 HydrophobicContact CD1-CD1 4.47Å; L87-I103 HydrophobicContact CD1-CG1 4.26Å; M99-I103 HydrophobicContact CG-CD1 3.82Å; M99-I103 VanDerWaalsContact O-CG1 3.25Å; M99-I103 WeakPolarHBondContact O-CG1 3.35Å; M99-I103 PolarHBondContact O-N 2.86Å; Q100-I103 PolarHBondContact O-N 2.84Å; I103-H105 PolarHBondContact O-N 2.94Å; I103-H105 VanDerWaalsContact O-N 3.16Å; I103-G106 PolarHBondContact O-N 3.43Å; I103-V109 HydrophobicContact CD1-CG2 4.4Å; I103-V109 HydrophobicContact CG1-CG2 4.22Å; I103-I134 HydrophobicContact CD1-CG2 3.74Å; I103-N138 HydrophobicContact CD1-CB 4.2Å; I103-N138 HydrophobicContact CG2-CB 4.16Å; I103-N138 WeakPolarHBondContact CG2-OD1 3.49Å
104	D	97.1	Very high	96.7	Very high	132 Å²	132	43 Å²	43	71%	0.706	24%	0.236	S	C	*	.	H	α-helix	trans	-59.3	-28.1	177	-73.7	-16	0	0	0	112.7	Q100 V101	Q100-D104 WeakPolarHBondContact O-CB 3.29Å; Q100-D104 PolarHBondContact O-N 3.1Å; V101-D104 PolarHBondContact O-N 3.06Å
105	H	97.3	Very high	96.3	Very high	71 Å²	71	43.1 Å²	43.1	33%	0.329	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	7.1	177.1	-67.1	76.1	0	0	0	113.5	L70 P76 V101 L102 I103	L70-H105 HydrophobicContact CB-CB 4.28Å; L70-H105 HydrophobicContact CD1-CB 4.12Å; L70-H105 HydrophobicContact CD2-CB 4.25Å; L70-H105 HydrophobicContact CG-CB 4.46Å; P76-H105 WeakPolarHBondContact CG-O 3.38Å; V101-H105 PolarHBondContact O-N 3.15Å; V101-H105 PolarHBondContact O-ND1 3.39Å; L102-H105 CarbonylContact O-C 3.58Å; L102-H105 PolarHBondContact O-N 2.85Å; I103-H105 PolarHBondContact O-N 2.94Å; I103-H105 VanDerWaalsContact O-N 3.16Å
106	G	96.6	Very high	96.2	Very high	47 Å²	47	44 Å²	44	49%	0.485	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	27.5	174.5	0	0	0	0	0	115	N77 L102 I103 N108	N77-G106 PolarHBondContact ND2-O 3.18Å; L102-G106 PolarHBondContact O-N 3.19Å; I103-G106 PolarHBondContact O-N 3.43Å; G106-N108 PolarHBondContact O-N 2.75Å
107	A	97.6	Very high	96.3	Very high	10 Å²	10	43.6 Å²	43.6	8%	0.083	24%	0.236	C	C	.	.			trans	-60.7	132.4	166.9	0	0	0	0	0	110.7	P76 L87 L102 V109	P76-A107 HydrophobicContact CB-CB 4.07Å; L87-A107 HydrophobicContact CD2-CB 4.28Å; L102-A107 VanDerWaalsContact C-CB 3.49Å; L102-A107 HydrophobicContact CB-CB 3.89Å; L102-A107 WeakPolarHBondContact O-CB 3.41Å; L102-A107 PolarHBondContact O-N 3.34Å; A107-V109 PolarHBondContact O-N 2.84Å
108	N	97.9	Very high	96.3	Very high	81 Å²	81	40.7 Å²	40.7	43%	0.433	22%	0.218	S	C	.	.			trans	-75.4	108	176.2	-179.7	8.4	0	0	0	109.7	N77 G106 N110 S111	N77-N108 WeakPolarHBondContact OD1-CB 3.42Å; N77-N108 PolarHBondContact OD1-N 3.44Å; G106-N108 PolarHBondContact O-N 2.75Å; N108-N110 PolarHBondContact O-N 3.4Å; N108-N110 VanDerWaalsContact O-N 3.13Å; N108-N110 PolarHBondContact OD1-N 3.49Å; N108-S111 WeakPolarHBondContact O-CB 3.37Å; N108-S111 PolarHBondContact O-N 3.45Å; N108-S111 PolarHBondContact O-OG 2.77Å
109	V	98.2	Very high	96.3	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.067	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.9	178.6	-178.5	0	0	0	0	112.6	I103 A107 P119 L135 N138 A140	I103-V109 HydrophobicContact CD1-CG2 4.4Å; I103-V109 HydrophobicContact CG1-CG2 4.22Å; A107-V109 PolarHBondContact O-N 2.84Å; V109-P119 WeakPolarHBondContact O-CD 3.44Å; V109-L135 HydrophobicContact CG1-CB 4.31Å; V109-L135 HydrophobicContact CG1-CD2 3.9Å; V109-N138 HydrophobicContact CG2-CB 3.96Å; V109-A140 HydrophobicContact CG1-CB 3.7Å
110	N	98.1	Very high	96.4	Very high	32 Å²	32	40.7 Å²	40.7	17%	0.171	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	26	-179.6	-61.3	-48.5	0	0	0	112.4	N108 G139 A140 E141	N108-N110 PolarHBondContact O-N 3.4Å; N108-N110 VanDerWaalsContact O-N 3.13Å; N108-N110 PolarHBondContact OD1-N 3.49Å; N110-G139 PolarHBondContact ND2-O 2.69Å; N110-A140 VanDerWaalsContact OD1-CA 3.31Å; N110-A140 WeakPolarHBondContact OD1-CA 3.49Å; N110-E141 PolarHBondContact OD1-N 3.4Å
111	S	97.4	Very high	96.4	Very high	13 Å²	13	35.9 Å²	35.9	9%	0.091	20%	0.196	C	C	.	.			trans	-56.7	140.5	171.2	60.1	0	0	0	0	110	T85 H88 N108 T118 P119	T85-S111 PolarHBondContact OG1-OG 3.03Å; H88-S111 PolarHBondContact CE1-O 3.47Å; H88-S111 PolarHBondContact CE1-OG 2.86Å; H88-S111 PolarHBondContact ND1-OG 2.98Å; H88-S111 PolarHBondContact NE2-O 3.39Å; N108-S111 WeakPolarHBondContact O-CB 3.37Å; N108-S111 PolarHBondContact O-N 3.45Å; N108-S111 PolarHBondContact O-OG 2.77Å; S111-T118 WeakPolarHBondContact O-CA 3.45Å; S111-P119 VanDerWaalsContact O-CD 3.29Å; S111-P119 WeakPolarHBondContact O-CD 3.38Å
112	R	96.2	Very high	96.3	Very high	101 Å²	101	35.9 Å²	35.9	38%	0.381	20%	0.196	S	C	.	.			trans	-117.1	131.7	-180	-70.3	-176.4	-167.1	179.3	1.9	110.5	M116 W117 T118 E141	R112-M116 HydrophobicContact CB-SD 4.24Å; R112-M116 VanDerWaalsContact NH1-CE 3.27Å; R112-W117 VanDerWaalsContact CA-O 3.25Å; R112-W117 WeakPolarHBondContact CA-O 3.31Å; R112-T118 HydrophobicContact CG-CG2 3.92Å; R112-E141 IonicContact NH2-OE2 3.73Å; R112-E141 PolarHBondContact NH2-OE2 3.5Å
113	D	94.1	Very high	96.3	Very high	21 Å²	21	35.9 Å²	35.9	11%	0.112	20%	0.196	C	C	.	.			trans	-78.7	-171.1	173.4	79.9	-5.6	0	0	0	111.9	D82 L84 E115 M116 W117	D82-D113 WeakPolarHBondContact O-CB 3.23Å; L84-D113 HydrophobicContact CD2-CB 3.92Å; L84-D113 HydrophobicContact CG-CB 4.46Å; D113-E115 PolarHBondContact O-N 3.01Å; D113-E115 VanDerWaalsContact OD1-C 3.24Å; D113-E115 WeakPolarHBondContact OD1-CA 3.38Å; D113-E115 PolarHBondContact OD1-N 3.31Å; D113-M116 PolarHBondContact O-N 3.36Å; D113-M116 VanDerWaalsContact O-N 3.08Å; D113-M116 PolarHBondContact OD1-N 2.95Å; D113-W117 PolarHBondContact N-O 3.02Å; D113-W117 WeakPolarHBondContact OD1-CB 3.48Å; D113-W117 PolarHBondContact OD1-N 3.27Å
114	S	92.1	Very high	96.2	Very high	67 Å²	67	34.8 Å²	34.8	47%	0.469	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.7	179.5	58.1	0	0	0	0	114.3	D82	D82-S114 WeakPolarHBondContact O-CB 3.3Å; D82-S114 PolarHBondContact O-N 3.47Å; D82-S114 PolarHBondContact O-OG 3.4Å
115	E	88.1	Confident	96.1	Very high	32 Å²	32	30.7 Å²	30.7	15%	0.15	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	14	174.6	-62.1	-166.7	140.4	0	0	111.6	D113 W117 S147 V404 Q408 Y419	D113-E115 PolarHBondContact O-N 3.01Å; D113-E115 VanDerWaalsContact OD1-C 3.24Å; D113-E115 WeakPolarHBondContact OD1-CA 3.38Å; D113-E115 PolarHBondContact OD1-N 3.31Å; E115-W117 PolarHBondContact O-N 3.04Å; E115-S147 WeakPolarHBondContact O-CB 3.41Å; E115-S147 PolarHBondContact O-N 3.36Å; E115-S147 PolarHBondContact O-OG 3.11Å; E115-S147 VanDerWaalsContact O-OG 3.11Å; E115-V404 HydrophobicContact CG-CG1 4.4Å; E115-Q408 PolarHBondContact OE1-NE2 3.21Å; E115-Y419 PolarHBondContact OE2-OH 3.44Å
116	M	93	Very high	95.9	Very high	66 Å²	66	29.3 Å²	29.3	33%	0.325	17%	0.17	S	C	.	.			trans	61.7	18.9	-179.5	-59.4	-76.8	-78	0	0	114.3	R112 D113	R112-M116 HydrophobicContact CB-SD 4.24Å; R112-M116 VanDerWaalsContact NH1-CE 3.27Å; D113-M116 PolarHBondContact O-N 3.36Å; D113-M116 VanDerWaalsContact O-N 3.08Å; D113-M116 PolarHBondContact OD1-N 2.95Å
117	W	95.7	Very high	95.8	Very high	41 Å²	41	27.5 Å²	27.5	16%	0.155	15%	0.151	C	C	.	.			trans	-67.8	141.1	171.2	-77.2	61.8	0	0	0	109.9	H88 R112 D113 E115 H121 C125 N146 I155	H88-W117 PolarHBondContact NE2-O 3.13Å; R112-W117 VanDerWaalsContact CA-O 3.25Å; R112-W117 WeakPolarHBondContact CA-O 3.31Å; D113-W117 PolarHBondContact N-O 3.02Å; D113-W117 WeakPolarHBondContact OD1-CB 3.48Å; D113-W117 PolarHBondContact OD1-N 3.27Å; E115-W117 PolarHBondContact O-N 3.04Å; W117-H121 HydrophobicContact CB-CB 4.33Å; W117-H121 HydrophobicContact CD2-CB 3.91Å; W117-H121 HydrophobicContact CE3-CB 3.38Å; W117-H121 HydrophobicContact CG-CB 4.35Å; W117-H121 HydrophobicContact CZ3-CB 3.9Å; W117-C125 HydrophobicContact CH2-CB 4.03Å; W117-C125 HydrophobicContact CZ3-CB 3.79Å; W117-N146 HydrophobicContact CG-CB 4.49Å; W117-N146 PolarHBondContact NE1-ND2 3.2Å; W117-N146 VanDerWaalsContact NE1-ND2 3.2Å; W117-I155 HydrophobicContact CE3-CD1 4.37Å; W117-I155 HydrophobicContact CH2-CD1 3.58Å; W117-I155 HydrophobicContact CZ2-CD1 4.31Å; W117-I155 HydrophobicContact CZ3-CD1 3.63Å
118	T	98	Very high	95.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.			trans	-102.7	164	169.9	65.1	0	0	0	0	109.8	S111 R112 L120 H121 A122 A144	S111-T118 WeakPolarHBondContact O-CA 3.45Å; R112-T118 HydrophobicContact CG-CG2 3.92Å; T118-L120 PolarHBondContact O-N 3.2Å; T118-L120 VanDerWaalsContact O-N 3.1Å; T118-L120 PolarHBondContact OG1-N 3.37Å; T118-H121 PolarHBondContact N-ND1 3.13Å; T118-H121 VanDerWaalsContact N-ND1 3.19Å; T118-H121 WeakPolarHBondContact O-CB 3.38Å; T118-H121 PolarHBondContact O-N 3.17Å; T118-H121 PolarHBondContact OG1-N 2.98Å; T118-H121 PolarHBondContact OG1-ND1 3.11Å; T118-A122 PolarHBondContact O-N 3.01Å; T118-A122 VanDerWaalsContact O-N 3.14Å; T118-A144 HydrophobicContact CG2-CB 3.86Å
119	P	98	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-52.1	-32.7	169.6	-28.7	35.7	0	0	0	112.9	L87 A91 V109 S111 A122 A123 L135	L87-P119 HydrophobicContact CB-CG 4.23Å; L87-P119 HydrophobicContact CD2-CB 4.36Å; L87-P119 HydrophobicContact CD2-CG 3.9Å; L87-P119 HydrophobicContact CG-CB 4.06Å; L87-P119 HydrophobicContact CG-CG 3.86Å; A91-P119 HydrophobicContact CB-CB 4.15Å; A91-P119 VanDerWaalsContact CB-O 3.27Å; A91-P119 WeakPolarHBondContact CB-O 3.43Å; V109-P119 WeakPolarHBondContact O-CD 3.44Å; S111-P119 VanDerWaalsContact O-CD 3.29Å; S111-P119 WeakPolarHBondContact O-CD 3.38Å; P119-A122 PolarHBondContact O-N 2.94Å; P119-A123 WeakPolarHBondContact O-CB 3.16Å; P119-A123 PolarHBondContact O-N 3.02Å; P119-L135 HydrophobicContact CB-CD1 3.87Å; P119-L135 HydrophobicContact CB-CD2 3.79Å; P119-L135 WeakPolarHBondContact O-CD1 3.36Å
120	L	98.2	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.8	-36.8	176.4	-176.3	60	0	0	0	112.4	T118 A122 A124 M132 L135 I136 A140 L142 P152	T118-L120 PolarHBondContact O-N 3.2Å; T118-L120 VanDerWaalsContact O-N 3.1Å; T118-L120 PolarHBondContact OG1-N 3.37Å; L120-A122 VanDerWaalsContact C-N 3.35Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 2.86Å; L120-M132 HydrophobicContact CD1-CB 4.25Å; L120-M132 HydrophobicContact CD1-CG 4.22Å; L120-L135 HydrophobicContact CB-CD1 4.47Å; L120-I136 HydrophobicContact CD1-CD1 4.08Å; L120-I136 HydrophobicContact CD1-CG1 3.93Å; L120-I136 HydrophobicContact CD2-CG1 4.2Å; L120-A140 HydrophobicContact CB-CB 4.13Å; L120-A140 HydrophobicContact CD2-CB 3.86Å; L120-A140 HydrophobicContact CG-CB 4.46Å; L120-L142 HydrophobicContact CD2-CD2 4.29Å; L120-P152 HydrophobicContact CB-CG 4.32Å; L120-P152 HydrophobicContact CD2-CB 4.15Å; L120-P152 HydrophobicContact CD2-CG 3.85Å; L120-P152 HydrophobicContact CG-CB 3.85Å; L120-P152 HydrophobicContact CG-CG 3.82Å
121	H	97.1	Very high	95.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-45.6	172	-72.1	92.3	0	0	0	111.1	W117 T118 A124 C125 A144 N150 I155	W117-H121 HydrophobicContact CB-CB 4.33Å; W117-H121 HydrophobicContact CD2-CB 3.91Å; W117-H121 HydrophobicContact CE3-CB 3.38Å; W117-H121 HydrophobicContact CG-CB 4.35Å; W117-H121 HydrophobicContact CZ3-CB 3.9Å; T118-H121 PolarHBondContact N-ND1 3.13Å; T118-H121 VanDerWaalsContact N-ND1 3.19Å; T118-H121 WeakPolarHBondContact O-CB 3.38Å; T118-H121 PolarHBondContact O-N 3.17Å; T118-H121 PolarHBondContact OG1-N 2.98Å; T118-H121 PolarHBondContact OG1-ND1 3.11Å; H121-A124 PolarHBondContact O-N 3.42Å; H121-C125 VanDerWaalsContact O-CB 3.29Å; H121-C125 WeakPolarHBondContact O-CB 3.45Å; H121-C125 PolarHBondContact O-N 3.26Å; H121-A144 PolarHBondContact CE1-O 2.8Å; H121-A144 PolarHBondContact NE2-O 2.86Å; H121-N150 PolarHBondContact NE2-O 3.35Å; H121-N150 VanDerWaalsContact NE2-O 3.15Å; H121-I155 HydrophobicContact CB-CD1 3.72Å; H121-I155 VanDerWaalsContact O-CD1 3.32Å; H121-I155 WeakPolarHBondContact O-CD1 3.33Å
122	A	95.7	Very high	95.6	Very high	6 Å²	6	32.1 Å²	32.1	5%	0.05	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-49.2	178.6	0	0	0	0	0	111.8	A91 I92 T118 P119 L120 A124 C125 C126	A91-A122 HydrophobicContact CB-CB 4.1Å; I92-A122 HydrophobicContact CG1-CB 3.88Å; T118-A122 PolarHBondContact O-N 3.01Å; T118-A122 VanDerWaalsContact O-N 3.14Å; P119-A122 PolarHBondContact O-N 2.94Å; L120-A122 VanDerWaalsContact C-N 3.35Å; A122-A124 VanDerWaalsContact C-N 3.35Å; A122-A124 PolarHBondContact O-N 2.99Å; A122-C125 PolarHBondContact O-N 2.95Å; A122-C126 WeakPolarHBondContact O-CB 3.33Å; A122-C126 PolarHBondContact O-N 3.35Å; A122-C126 PolarHBondContact O-SG 3.15Å; A122-C126 VanDerWaalsContact O-SG 3.35Å
123	A	97.2	Very high	95.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-39.5	178.5	0	0	0	0	0	112.6	A91 P119 C126 G127 H128 A131 M132 L135	A91-A123 HydrophobicContact CB-CB 4.1Å; P119-A123 WeakPolarHBondContact O-CB 3.16Å; P119-A123 PolarHBondContact O-N 3.02Å; A123-C126 PolarHBondContact O-N 2.99Å; A123-G127 PolarHBondContact O-N 3.12Å; A123-G127 VanDerWaalsContact O-N 3.09Å; A123-H128 PolarHBondContact O-N 3.19Å; A123-A131 HydrophobicContact CB-CB 3.85Å; A123-M132 HydrophobicContact CB-CG 3.59Å; A123-L135 HydrophobicContact CB-CD1 3.99Å
124	A	96.3	Very high	95.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-45.1	178	0	0	0	0	0	112.5	L120 H121 A122 C126 G127 M132 P152	L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 2.86Å; H121-A124 PolarHBondContact O-N 3.42Å; A122-A124 VanDerWaalsContact C-N 3.35Å; A122-A124 PolarHBondContact O-N 2.99Å; A124-C126 VanDerWaalsContact C-N 3.31Å; A124-C126 PolarHBondContact O-N 3.2Å; A124-G127 PolarHBondContact O-N 3.04Å; A124-G127 VanDerWaalsContact O-N 3.13Å; A124-M132 HydrophobicContact CB-CE 4.03Å; A124-P152 HydrophobicContact CB-CB 4.07Å; A124-P152 VanDerWaalsContact CB-O 3.3Å; A124-P152 WeakPolarHBondContact CB-O 3.33Å
125	C	94.5	Very high	96.1	Very high	46 Å²	46	28.1 Å²	28.1	31%	0.311	14%	0.136	S	C	.	.	H	α-helix	trans	-58.7	-42	174.7	-174.7	0	0	0	0	111.9	W117 H121 A122 G127 I155	W117-C125 HydrophobicContact CH2-CB 4.03Å; W117-C125 HydrophobicContact CZ3-CB 3.79Å; H121-C125 VanDerWaalsContact O-CB 3.29Å; H121-C125 WeakPolarHBondContact O-CB 3.45Å; H121-C125 PolarHBondContact O-N 3.26Å; A122-C125 PolarHBondContact O-N 2.95Å; C125-G127 VanDerWaalsContact C-N 3.3Å; C125-G127 PolarHBondContact O-N 3.07Å; C125-I155 HydrophobicContact CB-CD1 4.16Å
126	C	94.1	Very high	96.6	Very high	42 Å²	42	26.7 Å²	26.7	28%	0.284	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.7	178.7	-62.7	0	0	0	0	114.2	A122 A123 A124 H128	A122-C126 WeakPolarHBondContact O-CB 3.33Å; A122-C126 PolarHBondContact O-N 3.35Å; A122-C126 PolarHBondContact O-SG 3.15Å; A122-C126 VanDerWaalsContact O-SG 3.35Å; A123-C126 PolarHBondContact O-N 2.99Å; A124-C126 VanDerWaalsContact C-N 3.31Å; A124-C126 PolarHBondContact O-N 3.2Å; C126-H128 VanDerWaalsContact C-N 3.27Å; C126-H128 VanDerWaalsContact CB-CD2 3.49Å; C126-H128 WeakPolarHBondContact CB-CD2 3.47Å; C126-H128 PolarHBondContact O-CE1 3.17Å; C126-H128 VanDerWaalsContact O-CE1 3.29Å; C126-H128 PolarHBondContact O-N 2.8Å; C126-H128 PolarHBondContact O-ND1 2.99Å; C126-H128 VanDerWaalsContact O-ND1 3.13Å
127	G	94.5	Very high	96.8	Very high	8 Å²	8	30.6 Å²	30.6	8%	0.082	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	19.1	-177.2	0	0	0	0	0	114.5	A123 A124 C125 I129	A123-G127 PolarHBondContact O-N 3.12Å; A123-G127 VanDerWaalsContact O-N 3.09Å; A124-G127 PolarHBondContact O-N 3.04Å; A124-G127 VanDerWaalsContact O-N 3.13Å; C125-G127 VanDerWaalsContact C-N 3.3Å; C125-G127 PolarHBondContact O-N 3.07Å; G127-I129 PolarHBondContact O-N 3.25Å
128	H	96.5	Very high	96.9	Very high	50 Å²	50	32.4 Å²	32.4	23%	0.231	16%	0.159	C	C	.	.			trans	-83.3	79.3	-172.1	-67.2	-13.7	0	0	0	112.2	A91 I92 D94 A123 C126 R130 A131 M132	A91-H128 PolarHBondContact O-CD2 3.37Å; I92-H128 PolarHBondContact O-CD2 3.46Å; I92-H128 VanDerWaalsContact O-CD2 3.31Å; I92-H128 PolarHBondContact O-NE2 2.85Å; D94-H128 HydrophobicContact CB-CB 4.2Å; A123-H128 PolarHBondContact O-N 3.19Å; C126-H128 VanDerWaalsContact C-N 3.27Å; C126-H128 VanDerWaalsContact CB-CD2 3.49Å; C126-H128 WeakPolarHBondContact CB-CD2 3.47Å; C126-H128 PolarHBondContact O-CE1 3.17Å; C126-H128 VanDerWaalsContact O-CE1 3.29Å; C126-H128 PolarHBondContact O-N 2.8Å; C126-H128 PolarHBondContact O-ND1 2.99Å; C126-H128 VanDerWaalsContact O-ND1 3.13Å; H128-R130 PolarHBondContact O-N 3.47Å; H128-R130 VanDerWaalsContact O-N 3.12Å; H128-A131 HydrophobicContact CB-CB 3.98Å; H128-A131 PolarHBondContact O-N 3.49Å; H128-A131 VanDerWaalsContact O-N 3.14Å; H128-M132 VanDerWaalsContact O-CG 3.24Å; H128-M132 WeakPolarHBondContact O-CG 3.42Å; H128-M132 PolarHBondContact O-N 3.1Å
129	I	96.2	Very high	96.8	Very high	48 Å²	48	34.6 Å²	34.6	25%	0.246	18%	0.183	C	C	.	.	H	α-helix	trans	-55.4	-33.5	-176.5	-59.6	173.3	0	0	0	112.6	G127 K133 A160 A161 Y164	G127-I129 PolarHBondContact O-N 3.25Å; I129-K133 HydrophobicContact CG2-CD 4.16Å; I129-K133 HydrophobicContact CG2-CG 4.48Å; I129-K133 WeakPolarHBondContact O-CB 3.43Å; I129-K133 VanDerWaalsContact O-CG 3.27Å; I129-K133 WeakPolarHBondContact O-CG 3.46Å; I129-K133 PolarHBondContact O-N 3.26Å; I129-A160 HydrophobicContact CD1-CB 3.88Å; I129-A161 HydrophobicContact CG1-CB 4.45Å; I129-Y164 HydrophobicContact CG2-CD1 4.23Å; I129-Y164 HydrophobicContact CG2-CG 4.26Å
130	R	96.7	Very high	96.8	Very high	146 Å²	146	35 Å²	35	55%	0.551	19%	0.185	S	C	*	.	H	α-helix	trans	-68.5	-49.2	177.8	-76.4	-178.3	-75.3	172.6	-1.9	111.6	D94 H128 M132 K133 I134	D94-R130 IonicContact OD2-CZ 3.01Å; D94-R130 VanDerWaalsContact OD2-CZ 3.26Å; D94-R130 IonicContact OD2-NE 3.7Å; D94-R130 PolarHBondContact OD2-NE 3.41Å; D94-R130 IonicContact OD2-NH2 3.02Å; D94-R130 PolarHBondContact OD2-NH2 3.17Å; H128-R130 PolarHBondContact O-N 3.47Å; H128-R130 VanDerWaalsContact O-N 3.12Å; R130-M132 VanDerWaalsContact C-N 3.33Å; R130-M132 PolarHBondContact O-N 3.03Å; R130-K133 WeakPolarHBondContact O-CB 3.48Å; R130-K133 PolarHBondContact O-N 2.89Å; R130-I134 WeakPolarHBondContact O-CG1 3.41Å; R130-I134 PolarHBondContact O-N 3.02Å; R130-I134 VanDerWaalsContact O-N 3.14Å
131	A	97.5	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-45.9	171.2	0	0	0	0	0	111.9	D94 M99 A123 H128 K133 I134 L135	D94-A131 PolarHBondContact OD1-N 3.36Å; M99-A131 HydrophobicContact CE-CB 3.84Å; M99-A131 HydrophobicContact SD-CB 4.33Å; A123-A131 HydrophobicContact CB-CB 3.85Å; H128-A131 HydrophobicContact CB-CB 3.98Å; H128-A131 PolarHBondContact O-N 3.49Å; H128-A131 VanDerWaalsContact O-N 3.14Å; A131-K133 PolarHBondContact O-N 3.43Å; A131-I134 PolarHBondContact O-N 3.07Å; A131-L135 WeakPolarHBondContact O-CB 3.42Å; A131-L135 VanDerWaalsContact O-CG 3.24Å; A131-L135 WeakPolarHBondContact O-CG 3.25Å; A131-L135 PolarHBondContact O-N 3.03Å
132	M	97.9	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-44.8	178.5	-63.4	162.2	76.9	0	0	112	L120 A123 A124 H128 R130 I134 L135 I136 A161 Y164 V165	L120-M132 HydrophobicContact CD1-CB 4.25Å; L120-M132 HydrophobicContact CD1-CG 4.22Å; A123-M132 HydrophobicContact CB-CG 3.59Å; A124-M132 HydrophobicContact CB-CE 4.03Å; H128-M132 VanDerWaalsContact O-CG 3.24Å; H128-M132 WeakPolarHBondContact O-CG 3.42Å; H128-M132 PolarHBondContact O-N 3.1Å; R130-M132 VanDerWaalsContact C-N 3.33Å; R130-M132 PolarHBondContact O-N 3.03Å; M132-I134 PolarHBondContact O-N 3.47Å; M132-L135 PolarHBondContact O-N 2.97Å; M132-I136 VanDerWaalsContact O-CB 3.24Å; M132-I136 WeakPolarHBondContact O-CB 3.47Å; M132-I136 WeakPolarHBondContact O-CG1 3.31Å; M132-I136 PolarHBondContact O-N 3.05Å; M132-A161 HydrophobicContact CE-CB 4.15Å; M132-A161 HydrophobicContact SD-CB 4Å; M132-Y164 HydrophobicContact CB-CD1 4.22Å; M132-Y164 HydrophobicContact CB-CE1 4.01Å; M132-Y164 HydrophobicContact CE-CD1 4.25Å; M132-V165 HydrophobicContact CE-CB 4.46Å; M132-V165 HydrophobicContact CE-CG2 3Å
133	K	97.6	Very high	96.8	Very high	88 Å²	88	40.6 Å²	40.6	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-55.5	-52.2	175	-81.2	169.1	179.7	179.5	0	111.7	I129 R130 A131 L135 I136 E137 Y164	I129-K133 HydrophobicContact CG2-CD 4.16Å; I129-K133 HydrophobicContact CG2-CG 4.48Å; I129-K133 WeakPolarHBondContact O-CB 3.43Å; I129-K133 VanDerWaalsContact O-CG 3.27Å; I129-K133 WeakPolarHBondContact O-CG 3.46Å; I129-K133 PolarHBondContact O-N 3.26Å; R130-K133 WeakPolarHBondContact O-CB 3.48Å; R130-K133 PolarHBondContact O-N 2.89Å; A131-K133 PolarHBondContact O-N 3.43Å; K133-L135 VanDerWaalsContact C-N 3.34Å; K133-L135 PolarHBondContact O-N 3.34Å; K133-I136 PolarHBondContact O-N 3.21Å; K133-E137 VanDerWaalsContact O-CB 3.3Å; K133-E137 WeakPolarHBondContact O-CB 3.41Å; K133-E137 VanDerWaalsContact O-CG 3.24Å; K133-E137 WeakPolarHBondContact O-CG 3.31Å; K133-E137 PolarHBondContact O-N 2.9Å; K133-Y164 HydrophobicContact CG-CE1 3.78Å; K133-Y164 HydrophobicContact CG-CE2 4.03Å; K133-Y164 WeakPolarHBondContact CG-OH 3.31Å
134	I	97.9	Very high	96.7	Very high	17 Å²	17	40.7 Å²	40.7	9%	0.087	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-44.7	-178.4	-65.3	167.7	0	0	0	110.6	D96 M99 Q100 I103 R130 A131 M132 N138	D96-I134 HydrophobicContact CB-CD1 3.41Å; D96-I134 VanDerWaalsContact CB-CD1 3.41Å; M99-I134 HydrophobicContact CG-CG2 3.76Å; M99-I134 HydrophobicContact SD-CB 3.86Å; M99-I134 HydrophobicContact SD-CD1 4.48Å; M99-I134 HydrophobicContact SD-CG2 3.7Å; Q100-I134 HydrophobicContact CG-CD1 4.44Å; Q100-I134 HydrophobicContact CG-CG2 4.36Å; I103-I134 HydrophobicContact CD1-CG2 3.74Å; R130-I134 WeakPolarHBondContact O-CG1 3.41Å; R130-I134 PolarHBondContact O-N 3.02Å; R130-I134 VanDerWaalsContact O-N 3.14Å; A131-I134 PolarHBondContact O-N 3.07Å; M132-I134 PolarHBondContact O-N 3.47Å; I134-N138 WeakPolarHBondContact O-CB 3.12Å; I134-N138 PolarHBondContact O-N 3.46Å; I134-N138 VanDerWaalsContact O-N 3.12Å; I134-N138 PolarHBondContact O-ND2 3.34Å
135	L	98.2	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-47.3	179	-67.5	169.4	0	0	0	111.6	L87 A91 M99 V109 P119 L120 A123 A131 M132 K133 N138 G139 A140	L87-L135 HydrophobicContact CD1-CD2 4.25Å; L87-L135 HydrophobicContact CD2-CD2 4.16Å; L87-L135 HydrophobicContact CG-CD2 4.22Å; A91-L135 HydrophobicContact CB-CD1 4.28Å; M99-L135 HydrophobicContact CE-CD1 4.39Å; M99-L135 HydrophobicContact CE-CD2 4.36Å; M99-L135 HydrophobicContact CE-CG 4.31Å; M99-L135 HydrophobicContact SD-CD1 4.47Å; M99-L135 HydrophobicContact SD-CD2 3.93Å; M99-L135 HydrophobicContact SD-CG 3.8Å; V109-L135 HydrophobicContact CG1-CB 4.31Å; V109-L135 HydrophobicContact CG1-CD2 3.9Å; P119-L135 HydrophobicContact CB-CD1 3.87Å; P119-L135 HydrophobicContact CB-CD2 3.79Å; P119-L135 WeakPolarHBondContact O-CD1 3.36Å; L120-L135 HydrophobicContact CB-CD1 4.47Å; A123-L135 HydrophobicContact CB-CD1 3.99Å; A131-L135 WeakPolarHBondContact O-CB 3.42Å; A131-L135 VanDerWaalsContact O-CG 3.24Å; A131-L135 WeakPolarHBondContact O-CG 3.25Å; A131-L135 PolarHBondContact O-N 3.03Å; M132-L135 PolarHBondContact O-N 2.97Å; K133-L135 VanDerWaalsContact C-N 3.34Å; K133-L135 PolarHBondContact O-N 3.34Å; L135-N138 CarbonylContact O-C 3.42Å; L135-N138 PolarHBondContact O-N 3.18Å; L135-G139 PolarHBondContact O-N 3.26Å; L135-A140 VanDerWaalsContact C-CB 3.49Å; L135-A140 HydrophobicContact CB-CB 3.96Å; L135-A140 WeakPolarHBondContact O-CB 3.41Å; L135-A140 PolarHBondContact O-N 3.47Å
136	I	97.5	Very high	96.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-40.6	-178.9	-72.1	173.1	0	0	0	111.5	L120 M132 K133 N138 G139 L142 Y164 E168 R172	L120-I136 HydrophobicContact CD1-CD1 4.08Å; L120-I136 HydrophobicContact CD1-CG1 3.93Å; L120-I136 HydrophobicContact CD2-CG1 4.2Å; M132-I136 VanDerWaalsContact O-CB 3.24Å; M132-I136 WeakPolarHBondContact O-CB 3.47Å; M132-I136 WeakPolarHBondContact O-CG1 3.31Å; M132-I136 PolarHBondContact O-N 3.05Å; K133-I136 PolarHBondContact O-N 3.21Å; I136-N138 VanDerWaalsContact C-N 3.25Å; I136-N138 PolarHBondContact O-N 2.96Å; I136-G139 PolarHBondContact O-N 3.29Å; I136-L142 HydrophobicContact CD1-CD2 3.92Å; I136-L142 HydrophobicContact CG1-CD2 4.24Å; I136-Y164 HydrophobicContact CD1-CE1 3.86Å; I136-E168 HydrophobicContact CD1-CB 4.35Å; I136-E168 HydrophobicContact CD1-CG 4.15Å; I136-E168 HydrophobicContact CG2-CB 4.47Å; I136-E168 HydrophobicContact CG2-CG 4.15Å; I136-E168 WeakPolarHBondContact CG2-OE2 3.41Å; I136-R172 PolarHBondContact O-NH2 3.45Å
137	E	97.1	Very high	95.8	Very high	148 Å²	148	38.1 Å²	38.1	69%	0.692	19%	0.194	S	C	*	.	H	α-helix	trans	-63.5	-31.4	174.3	-74.9	173.9	179.4	0	0	112.1	K133	K133-E137 VanDerWaalsContact O-CB 3.3Å; K133-E137 WeakPolarHBondContact O-CB 3.41Å; K133-E137 VanDerWaalsContact O-CG 3.24Å; K133-E137 WeakPolarHBondContact O-CG 3.31Å; K133-E137 PolarHBondContact O-N 2.9Å
138	N	97.9	Very high	95.1	Very high	79 Å²	79	40.4 Å²	40.4	42%	0.422	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	18.2	177.9	-71.1	-80	0	0	0	113.9	I103 V109 I134 L135 I136	I103-N138 HydrophobicContact CD1-CB 4.2Å; I103-N138 HydrophobicContact CG2-CB 4.16Å; I103-N138 WeakPolarHBondContact CG2-OD1 3.49Å; V109-N138 HydrophobicContact CG2-CB 3.96Å; I134-N138 WeakPolarHBondContact O-CB 3.12Å; I134-N138 PolarHBondContact O-N 3.46Å; I134-N138 VanDerWaalsContact O-N 3.12Å; I134-N138 PolarHBondContact O-ND2 3.34Å; L135-N138 CarbonylContact O-C 3.42Å; L135-N138 PolarHBondContact O-N 3.18Å; I136-N138 VanDerWaalsContact C-N 3.25Å; I136-N138 PolarHBondContact O-N 2.96Å
139	G	96.9	Very high	94.6	Very high	47 Å²	47	39.6 Å²	39.6	49%	0.485	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	28.3	169.4	0	0	0	0	0	115.4	N110 L135 I136 E141	N110-G139 PolarHBondContact ND2-O 2.69Å; L135-G139 PolarHBondContact O-N 3.26Å; I136-G139 PolarHBondContact O-N 3.29Å; G139-E141 PolarHBondContact O-N 3.31Å
140	A	97.9	Very high	94.4	Very high	7 Å²	7	39.5 Å²	39.5	6%	0.058	21%	0.21	C	C	.	.			trans	-60	134.7	170.5	0	0	0	0	0	112.2	V109 N110 L120 L135 L142	V109-A140 HydrophobicContact CG1-CB 3.7Å; N110-A140 VanDerWaalsContact OD1-CA 3.31Å; N110-A140 WeakPolarHBondContact OD1-CA 3.49Å; L120-A140 HydrophobicContact CB-CB 4.13Å; L120-A140 HydrophobicContact CD2-CB 3.86Å; L120-A140 HydrophobicContact CG-CB 4.46Å; L135-A140 VanDerWaalsContact C-CB 3.49Å; L135-A140 HydrophobicContact CB-CB 3.96Å; L135-A140 WeakPolarHBondContact O-CB 3.41Å; L135-A140 PolarHBondContact O-N 3.47Å; A140-L142 PolarHBondContact O-N 3.43Å
141	E	97	Very high	94.3	Very high	84 Å²	84	32.6 Å²	32.6	39%	0.393	18%	0.184	S	C	.	.			trans	-72.5	106.6	176.4	-74.7	169.4	-168.6	0	0	110.5	N110 R112 G139 L143 A144	N110-E141 PolarHBondContact OD1-N 3.4Å; R112-E141 IonicContact NH2-OE2 3.73Å; R112-E141 PolarHBondContact NH2-OE2 3.5Å; G139-E141 PolarHBondContact O-N 3.31Å; E141-L143 VanDerWaalsContact C-N 3.25Å; E141-L143 PolarHBondContact O-N 3.36Å; E141-A144 HydrophobicContact CB-CB 3.97Å; E141-A144 WeakPolarHBondContact O-CB 3.33Å; E141-A144 PolarHBondContact O-N 3.22Å
142	L	96.8	Very high	94.2	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.3	178.2	-71.3	151.5	0	0	0	113.8	L120 I136 A140 P152 V165 E168 M169 R172 I174	L120-L142 HydrophobicContact CD2-CD2 4.29Å; I136-L142 HydrophobicContact CD1-CD2 3.92Å; I136-L142 HydrophobicContact CG1-CD2 4.24Å; A140-L142 PolarHBondContact O-N 3.43Å; L142-P152 WeakPolarHBondContact O-CD 3.42Å; L142-V165 HydrophobicContact CD2-CG1 3.9Å; L142-E168 HydrophobicContact CD2-CB 4.31Å; L142-M169 HydrophobicContact CB-CG 4.21Å; L142-M169 HydrophobicContact CD1-CG 4.41Å; L142-M169 HydrophobicContact CD2-CG 4.11Å; L142-M169 HydrophobicContact CG-CG 4.49Å; L142-R172 VanDerWaalsContact CD1-CD 3.41Å; L142-I174 HydrophobicContact CB-CD1 4Å; L142-I174 HydrophobicContact CD1-CD1 3.95Å
143	L	96.3	Very high	94	Very high	34 Å²	34	34.3 Å²	34.3	18%	0.178	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.1	179.8	-62.1	-179.4	0	0	0	112.6	E141 V145 M151 M169 I174 D178 I179 E182	E141-L143 VanDerWaalsContact C-N 3.25Å; E141-L143 PolarHBondContact O-N 3.36Å; L143-V145 WeakPolarHBondContact O-CG2 3.3Å; L143-V145 PolarHBondContact O-N 3.21Å; L143-M151 HydrophobicContact CB-CE 4.16Å; L143-M151 HydrophobicContact CB-SD 4.44Å; L143-M151 HydrophobicContact CD2-CE 3.96Å; L143-M151 HydrophobicContact CD2-SD 3.61Å; L143-M169 HydrophobicContact CD2-CE 3.92Å; L143-I174 HydrophobicContact CD1-CD1 4.42Å; L143-I174 HydrophobicContact CD1-CG2 4.18Å; L143-I174 HydrophobicContact CD2-CD1 4.36Å; L143-I174 HydrophobicContact CD2-CG2 3.83Å; L143-I174 HydrophobicContact CG-CD1 4.12Å; L143-I174 HydrophobicContact CG-CG2 4.35Å; L143-D178 HydrophobicContact CD1-CB 4.17Å; L143-I179 HydrophobicContact CD2-CG1 3.73Å; L143-E182 HydrophobicContact CB-CB 4.38Å; L143-E182 HydrophobicContact CB-CG 4.07Å; L143-E182 VanDerWaalsContact O-CG 3.31Å; L143-E182 WeakPolarHBondContact O-CG 3.36Å
144	A	95.6	Very high	93.9	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.017	18%	0.18	C	C	.	.			trans	-57.2	133.3	176.1	0	0	0	0	0	109.8	T118 H121 E141 M151 P152	T118-A144 HydrophobicContact CG2-CB 3.86Å; H121-A144 PolarHBondContact CE1-O 2.8Å; H121-A144 PolarHBondContact NE2-O 2.86Å; E141-A144 HydrophobicContact CB-CB 3.97Å; E141-A144 WeakPolarHBondContact O-CB 3.33Å; E141-A144 PolarHBondContact O-N 3.22Å; A144-M151 WeakPolarHBondContact O-CA 3.45Å; A144-P152 WeakPolarHBondContact O-CD 3.38Å
145	V	91.8	Very high	93.5	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.085	18%	0.181	C	C	.	.			trans	-111.4	126.2	-179.6	-177.6	0	0	0	0	109.3	L143 G149 N150 M151 E182	L143-V145 WeakPolarHBondContact O-CG2 3.3Å; L143-V145 PolarHBondContact O-N 3.21Å; V145-G149 VanDerWaalsContact CG1-CA 3.44Å; V145-N150 WeakPolarHBondContact CA-O 3.03Å; V145-M151 HydrophobicContact CG2-CE 3.7Å; V145-M151 HydrophobicContact CG2-CG 3.92Å; V145-E182 HydrophobicContact CG2-CG 4.19Å
146	N	89.9	Confident	93.3	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.027	19%	0.187	C	C	.	.			trans	-78.3	-179.4	175.5	78.7	-9.3	0	0	0	111.9	W117 D148 G149 N150	W117-N146 HydrophobicContact CG-CB 4.49Å; W117-N146 PolarHBondContact NE1-ND2 3.2Å; W117-N146 VanDerWaalsContact NE1-ND2 3.2Å; N146-D148 PolarHBondContact O-N 3.46Å; N146-D148 VanDerWaalsContact O-N 3.15Å; N146-D148 WeakPolarHBondContact OD1-CA 3.17Å; N146-D148 WeakPolarHBondContact OD1-CB 3.2Å; N146-D148 PolarHBondContact OD1-N 2.84Å; N146-G149 PolarHBondContact O-N 3.45Å; N146-G149 VanDerWaalsContact O-N 3.12Å; N146-G149 PolarHBondContact OD1-N 3.1Å; N146-G149 VanDerWaalsContact OD1-N 3.17Å; N146-N150 PolarHBondContact N-O 2.89Å; N146-N150 PolarHBondContact OD1-N 2.86Å; N146-N150 PolarHBondContact OD1-O 3.35Å
147	S	84.7	Confident	92.8	Very high	14 Å²	14	38.1 Å²	38.1	10%	0.098	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.8	179	56.8	0	0	0	0	113.6	E115 G149 R405	E115-S147 WeakPolarHBondContact O-CB 3.41Å; E115-S147 PolarHBondContact O-N 3.36Å; E115-S147 PolarHBondContact O-OG 3.11Å; E115-S147 VanDerWaalsContact O-OG 3.11Å; S147-G149 VanDerWaalsContact C-N 3.34Å; S147-R405 VanDerWaalsContact O-CZ 3.3Å; S147-R405 PolarHBondContact O-NH2 3.01Å
148	D	79.7	Confident	92.5	Very high	57 Å²	57	36.1 Å²	36.1	31%	0.305	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.6	179.5	-62.2	-40.4	0	0	0	113.7	N146 R405	N146-D148 PolarHBondContact O-N 3.46Å; N146-D148 VanDerWaalsContact O-N 3.15Å; N146-D148 WeakPolarHBondContact OD1-CA 3.17Å; N146-D148 WeakPolarHBondContact OD1-CB 3.2Å; N146-D148 PolarHBondContact OD1-N 2.84Å; D148-R405 VanDerWaalsContact CA-NH2 3.28Å; D148-R405 PolarHBondContact O-NH2 3.35Å; D148-R405 VanDerWaalsContact O-NH2 3.1Å
149	G	85.9	Confident	92.4	Very high	33 Å²	33	40.5 Å²	40.5	34%	0.34	23%	0.225	S	C	.	.	S	Bend	trans	90.7	9	-174.3	0	0	0	0	0	113.8	V145 N146 S147	V145-G149 VanDerWaalsContact CG1-CA 3.44Å; N146-G149 PolarHBondContact O-N 3.45Å; N146-G149 VanDerWaalsContact O-N 3.12Å; N146-G149 PolarHBondContact OD1-N 3.1Å; N146-G149 VanDerWaalsContact OD1-N 3.17Å; S147-G149 VanDerWaalsContact C-N 3.34Å
150	N	91	Very high	92.3	Very high	46 Å²	46	40.9 Å²	40.9	25%	0.246	22%	0.223	C	C	.	.			trans	-91.5	141.8	180	-64	-44.6	0	0	0	111	H121 V145 N146 D154 I155	H121-N150 PolarHBondContact NE2-O 3.35Å; H121-N150 VanDerWaalsContact NE2-O 3.15Å; V145-N150 WeakPolarHBondContact CA-O 3.03Å; N146-N150 PolarHBondContact N-O 2.89Å; N146-N150 PolarHBondContact OD1-N 2.86Å; N146-N150 PolarHBondContact OD1-O 3.35Å; N150-D154 HydrophobicContact CB-CB 3.98Å; N150-I155 HydrophobicContact CB-CG2 3.78Å
151	M	95.1	Very high	92.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.			trans	-93.1	165.4	164.9	-67.6	173.9	177.5	0	0	110.1	L143 A144 V145 Y153 D154 I179 E182 R183	L143-M151 HydrophobicContact CB-CE 4.16Å; L143-M151 HydrophobicContact CB-SD 4.44Å; L143-M151 HydrophobicContact CD2-CE 3.96Å; L143-M151 HydrophobicContact CD2-SD 3.61Å; A144-M151 WeakPolarHBondContact O-CA 3.45Å; V145-M151 HydrophobicContact CG2-CE 3.7Å; V145-M151 HydrophobicContact CG2-CG 3.92Å; M151-Y153 HydrophobicContact CB-CD1 3.74Å; M151-Y153 HydrophobicContact CB-CE1 3.78Å; M151-Y153 HydrophobicContact CG-CE1 4.35Å; M151-Y153 PolarHBondContact O-N 2.96Å; M151-Y153 VanDerWaalsContact O-N 3.09Å; M151-Y153 HydrophobicContact SD-CD1 4.44Å; M151-Y153 HydrophobicContact SD-CE1 3.76Å; M151-D154 PolarHBondContact N-OD2 3.13Å; M151-D154 WeakPolarHBondContact O-CB 3.19Å; M151-D154 PolarHBondContact O-N 2.83Å; M151-I179 HydrophobicContact CE-CB 4.49Å; M151-I179 HydrophobicContact CE-CG2 4Å; M151-I179 HydrophobicContact SD-CG1 4.42Å; M151-I179 HydrophobicContact SD-CG2 3.91Å; M151-E182 HydrophobicContact CE-CB 3.85Å; M151-E182 HydrophobicContact CE-CG 4.2Å; M151-R183 HydrophobicContact CE-CG 3.83Å
152	P	95.2	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-51.7	-36.9	179.4	-30	35.3	0	0	0	114.6	L120 A124 L142 A144 D154 I155 C156	L120-P152 HydrophobicContact CB-CG 4.32Å; L120-P152 HydrophobicContact CD2-CB 4.15Å; L120-P152 HydrophobicContact CD2-CG 3.85Å; L120-P152 HydrophobicContact CG-CB 3.85Å; L120-P152 HydrophobicContact CG-CG 3.82Å; A124-P152 HydrophobicContact CB-CB 4.07Å; A124-P152 VanDerWaalsContact CB-O 3.3Å; A124-P152 WeakPolarHBondContact CB-O 3.33Å; L142-P152 WeakPolarHBondContact O-CD 3.42Å; A144-P152 WeakPolarHBondContact O-CD 3.38Å; P152-D154 VanDerWaalsContact C-N 3.34Å; P152-D154 PolarHBondContact O-N 2.8Å; P152-I155 WeakPolarHBondContact O-CG1 3.28Å; P152-C156 PolarHBondContact O-SG 3.3Å
153	Y	95.1	Very high	92.2	Very high	37 Å²	37	43.3 Å²	43.3	15%	0.145	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-72.1	-24.4	178.2	84.1	-86.9	0	0	0	113.6	M151 I155 L162 M169 R183	M151-Y153 HydrophobicContact CB-CD1 3.74Å; M151-Y153 HydrophobicContact CB-CE1 3.78Å; M151-Y153 HydrophobicContact CG-CE1 4.35Å; M151-Y153 PolarHBondContact O-N 2.96Å; M151-Y153 VanDerWaalsContact O-N 3.09Å; M151-Y153 HydrophobicContact SD-CD1 4.44Å; M151-Y153 HydrophobicContact SD-CE1 3.76Å; Y153-I155 VanDerWaalsContact C-N 3.25Å; Y153-I155 PolarHBondContact O-N 3.07Å; Y153-L162 HydrophobicContact CD2-CD1 4.27Å; Y153-L162 WeakPolarHBondContact O-CD1 3.18Å; Y153-M169 HydrophobicContact CD1-CE 3.93Å; Y153-M169 HydrophobicContact CD1-SD 3.8Å; Y153-M169 HydrophobicContact CE1-CE 4.01Å; Y153-M169 HydrophobicContact CE1-SD 4.46Å; Y153-M169 HydrophobicContact CG-SD 4.11Å; Y153-R183 PolarHBondContact OH-NH1 2.78Å; Y153-R183 PolarHBondContact OH-NH2 3.48Å
154	D	93.8	Very high	92.2	Very high	28 Å²	28	43.4 Å²	43.4	15%	0.15	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-71.1	-23.1	-179	-70	-56.2	0	0	0	112.7	N150 M151 P152 R183 R345	N150-D154 HydrophobicContact CB-CB 3.98Å; M151-D154 PolarHBondContact N-OD2 3.13Å; M151-D154 WeakPolarHBondContact O-CB 3.19Å; M151-D154 PolarHBondContact O-N 2.83Å; P152-D154 VanDerWaalsContact C-N 3.34Å; P152-D154 PolarHBondContact O-N 2.8Å; D154-R183 IonicContact OD1-NH2 3.7Å; D154-R183 PolarHBondContact OD1-NH2 2.86Å; D154-R183 IonicContact OD2-CZ 3.24Å; D154-R183 IonicContact OD2-NH2 3.26Å; D154-R183 PolarHBondContact OD2-NH2 3.34Å; D154-R345 IonicContact OD1-NH2 3.81Å; D154-R345 PolarHBondContact OD1-NH2 3.13Å
155	I	91.3	Very high	92.2	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.118	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-107.6	6.5	-175.1	58.9	174	0	0	0	113.3	W117 H121 C125 N150 P152 Y153 D157	W117-I155 HydrophobicContact CE3-CD1 4.37Å; W117-I155 HydrophobicContact CH2-CD1 3.58Å; W117-I155 HydrophobicContact CZ2-CD1 4.31Å; W117-I155 HydrophobicContact CZ3-CD1 3.63Å; H121-I155 HydrophobicContact CB-CD1 3.72Å; H121-I155 VanDerWaalsContact O-CD1 3.32Å; H121-I155 WeakPolarHBondContact O-CD1 3.33Å; C125-I155 HydrophobicContact CB-CD1 4.16Å; N150-I155 HydrophobicContact CB-CG2 3.78Å; P152-I155 WeakPolarHBondContact O-CG1 3.28Å; Y153-I155 VanDerWaalsContact C-N 3.25Å; Y153-I155 PolarHBondContact O-N 3.07Å; I155-D157 PolarHBondContact O-N 2.77Å; I155-D157 VanDerWaalsContact O-N 3.17Å
156	C	92.4	Very high	92.4	Very high	19 Å²	19	47.1 Å²	47.1	13%	0.128	25%	0.253	C	S	.	.			trans	-67.6	111.3	174	-73	0	0	0	0	110.3	P152 L162	P152-C156 PolarHBondContact O-SG 3.3Å; C156-L162 HydrophobicContact CB-CB 3.82Å; C156-L162 HydrophobicContact CB-CD1 4.29Å
157	D	87.7	Confident	92.8	Very high	116 Å²	116	49.7 Å²	49.7	62%	0.62	27%	0.269	S	S	*	.			trans	-76	-33.7	172.8	-81.5	-9	0	0	0	111.8	I155	I155-D157 PolarHBondContact O-N 2.77Å; I155-D157 VanDerWaalsContact O-N 3.17Å
158	E	90.8	Very high	93.4	Very high	106 Å²	106	50.9 Å²	50.9	50%	0.495	27%	0.273	S	S	.	.	S	Bend	trans	-93.4	130.3	-178.5	-63.7	-167.3	174.4	0	0	112.6	A160 A161 L162	E158-A160 VanDerWaalsContact C-N 3.25Å; E158-A160 PolarHBondContact O-N 3.32Å; E158-A161 HydrophobicContact CB-CB 4.3Å; E158-A161 PolarHBondContact O-N 2.92Å; E158-A161 VanDerWaalsContact O-N 3.08Å; E158-L162 PolarHBondContact O-N 3.36Å
159	E	94.7	Very high	94.2	Very high	171 Å²	171	48.8 Å²	48.8	80%	0.799	26%	0.261	S	S	*	.	H	α-helix	trans	-57.2	-36.5	179.7	-173.2	176.1	-174.4	0	0	112.7	L162 D163	E159-L162 PolarHBondContact O-N 3.18Å; E159-D163 WeakPolarHBondContact O-CB 3.49Å; E159-D163 PolarHBondContact O-N 3.18Å
160	A	96.6	Very high	94.7	Very high	55 Å²	55	50.5 Å²	50.5	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-69.7	-33.5	179	0	0	0	0	0	113.2	I129 E158 Y164	I129-A160 HydrophobicContact CD1-CB 3.88Å; E158-A160 VanDerWaalsContact C-N 3.25Å; E158-A160 PolarHBondContact O-N 3.32Å; A160-Y164 WeakPolarHBondContact O-CB 3.39Å; A160-Y164 PolarHBondContact O-N 3.26Å
161	A	95.3	Very high	95	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-73.2	-40	175.1	0	0	0	0	0	110.8	I129 M132 E158 Y164 V165	I129-A161 HydrophobicContact CG1-CB 4.45Å; M132-A161 HydrophobicContact CE-CB 4.15Å; M132-A161 HydrophobicContact SD-CB 4Å; E158-A161 HydrophobicContact CB-CB 4.3Å; E158-A161 PolarHBondContact O-N 2.92Å; E158-A161 VanDerWaalsContact O-N 3.08Å; A161-Y164 PolarHBondContact O-N 2.93Å; A161-V165 WeakPolarHBondContact O-CG2 3.4Å; A161-V165 PolarHBondContact O-N 3.31Å; A161-V165 VanDerWaalsContact O-N 3.1Å
162	L	96.1	Very high	95	Very high	50 Å²	50	59.5 Å²	59.5	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-53.4	173.4	-179.8	60.1	0	0	0	111.7	Y153 C156 E158 E159 Y164 V165 E166	Y153-L162 HydrophobicContact CD2-CD1 4.27Å; Y153-L162 WeakPolarHBondContact O-CD1 3.18Å; C156-L162 HydrophobicContact CB-CB 3.82Å; C156-L162 HydrophobicContact CB-CD1 4.29Å; E158-L162 PolarHBondContact O-N 3.36Å; E159-L162 PolarHBondContact O-N 3.18Å; L162-Y164 PolarHBondContact O-N 2.86Å; L162-V165 PolarHBondContact O-N 3.08Å; L162-V165 VanDerWaalsContact O-N 3.16Å; L162-E166 HydrophobicContact CD1-CG 3.98Å; L162-E166 HydrophobicContact CG-CG 4.34Å; L162-E166 WeakPolarHBondContact O-CB 3.08Å; L162-E166 WeakPolarHBondContact O-CG 3.47Å; L162-E166 PolarHBondContact O-N 3.33Å
163	D	97.1	Very high	95.1	Very high	100 Å²	100	61.9 Å²	61.9	54%	0.535	34%	0.335	S	S	.	.	H	α-helix	trans	-56.6	-39.6	178.9	179.6	65	0	0	0	112	E159 T167	E159-D163 WeakPolarHBondContact O-CB 3.49Å; E159-D163 PolarHBondContact O-N 3.18Å; D163-T167 VanDerWaalsContact O-CB 3.25Å; D163-T167 WeakPolarHBondContact O-CB 3.49Å; D163-T167 PolarHBondContact O-N 2.8Å; D163-T167 PolarHBondContact O-OG1 2.88Å
164	Y	97.4	Very high	95.1	Very high	35 Å²	35	62 Å²	62	14%	0.137	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-49.1	176.7	179.5	-112.9	0	0	0	112.3	I129 M132 K133 I136 A160 A161 L162 T167 E168	I129-Y164 HydrophobicContact CG2-CD1 4.23Å; I129-Y164 HydrophobicContact CG2-CG 4.26Å; M132-Y164 HydrophobicContact CB-CD1 4.22Å; M132-Y164 HydrophobicContact CB-CE1 4.01Å; M132-Y164 HydrophobicContact CE-CD1 4.25Å; K133-Y164 HydrophobicContact CG-CE1 3.78Å; K133-Y164 HydrophobicContact CG-CE2 4.03Å; K133-Y164 WeakPolarHBondContact CG-OH 3.31Å; I136-Y164 HydrophobicContact CD1-CE1 3.86Å; A160-Y164 WeakPolarHBondContact O-CB 3.39Å; A160-Y164 PolarHBondContact O-N 3.26Å; A161-Y164 PolarHBondContact O-N 2.93Å; L162-Y164 PolarHBondContact O-N 2.86Å; Y164-T167 PolarHBondContact O-N 3.35Å; Y164-E168 HydrophobicContact CD2-CG 4.4Å; Y164-E168 HydrophobicContact CE1-CG 4.15Å; Y164-E168 HydrophobicContact CE2-CG 3.81Å; Y164-E168 WeakPolarHBondContact O-CG 3.21Å; Y164-E168 PolarHBondContact O-N 3.49Å
165	V	95.4	Very high	95.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-66.4	-43.3	179.4	-179.9	0	0	0	0	111.2	M132 L142 A161 L162 T167 E168 M169	M132-V165 HydrophobicContact CE-CB 4.46Å; M132-V165 HydrophobicContact CE-CG2 3Å; L142-V165 HydrophobicContact CD2-CG1 3.9Å; A161-V165 WeakPolarHBondContact O-CG2 3.4Å; A161-V165 PolarHBondContact O-N 3.31Å; A161-V165 VanDerWaalsContact O-N 3.1Å; L162-V165 PolarHBondContact O-N 3.08Å; L162-V165 VanDerWaalsContact O-N 3.16Å; V165-T167 VanDerWaalsContact C-N 3.28Å; V165-T167 PolarHBondContact O-N 3.22Å; V165-E168 PolarHBondContact O-N 3.3Å; V165-E168 VanDerWaalsContact O-N 3.14Å; V165-M169 HydrophobicContact CG1-CG 4.18Å; V165-M169 HydrophobicContact CG1-SD 3.91Å; V165-M169 WeakPolarHBondContact O-CB 3.45Å; V165-M169 VanDerWaalsContact O-CG 3.24Å; V165-M169 WeakPolarHBondContact O-CG 3.39Å; V165-M169 PolarHBondContact O-N 3.22Å
166	E	96.1	Very high	95.2	Very high	95 Å²	95	66.5 Å²	66.5	44%	0.444	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-41.2	176.8	-73.3	-174.3	167.3	0	0	111.3	L162 M169 A170	L162-E166 HydrophobicContact CD1-CG 3.98Å; L162-E166 HydrophobicContact CG-CG 4.34Å; L162-E166 WeakPolarHBondContact O-CB 3.08Å; L162-E166 WeakPolarHBondContact O-CG 3.47Å; L162-E166 PolarHBondContact O-N 3.33Å; E166-M169 PolarHBondContact O-N 3.2Å; E166-A170 WeakPolarHBondContact O-CB 3.37Å; E166-A170 PolarHBondContact O-N 2.87Å
167	T	97.1	Very high	95.3	Very high	59 Å²	59	71.6 Å²	71.6	36%	0.362	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-44.8	174	-63.3	0	0	0	0	111.5	D163 Y164 V165 M169 A170 N171	D163-T167 VanDerWaalsContact O-CB 3.25Å; D163-T167 WeakPolarHBondContact O-CB 3.49Å; D163-T167 PolarHBondContact O-N 2.8Å; D163-T167 PolarHBondContact O-OG1 2.88Å; Y164-T167 PolarHBondContact O-N 3.35Å; V165-T167 VanDerWaalsContact C-N 3.28Å; V165-T167 PolarHBondContact O-N 3.22Å; T167-M169 VanDerWaalsContact C-N 3.33Å; T167-M169 PolarHBondContact O-N 2.7Å; T167-A170 PolarHBondContact O-N 2.81Å; T167-N171 WeakPolarHBondContact O-CB 3.44Å; T167-N171 PolarHBondContact O-N 3.4Å; T167-N171 PolarHBondContact O-ND2 2.95Å
168	E	97.1	Very high	95.7	Very high	39 Å²	39	69 Å²	69	18%	0.182	38%	0.375	C	S	.	.	H	α-helix	trans	-65.1	-34.1	177.2	-75.5	-62.9	140.3	0	0	113.2	I136 L142 Y164 V165 R172	I136-E168 HydrophobicContact CD1-CB 4.35Å; I136-E168 HydrophobicContact CD1-CG 4.15Å; I136-E168 HydrophobicContact CG2-CB 4.47Å; I136-E168 HydrophobicContact CG2-CG 4.15Å; I136-E168 WeakPolarHBondContact CG2-OE2 3.41Å; L142-E168 HydrophobicContact CD2-CB 4.31Å; Y164-E168 HydrophobicContact CD2-CG 4.4Å; Y164-E168 HydrophobicContact CE1-CG 4.15Å; Y164-E168 HydrophobicContact CE2-CG 3.81Å; Y164-E168 WeakPolarHBondContact O-CG 3.21Å; Y164-E168 PolarHBondContact O-N 3.49Å; V165-E168 PolarHBondContact O-N 3.3Å; V165-E168 VanDerWaalsContact O-N 3.14Å; E168-R172 PolarHBondContact O-N 3.46Å; E168-R172 PolarHBondContact O-NH1 3.01Å; E168-R172 IonicContact OE2-CZ 3.97Å; E168-R172 IonicContact OE2-NH1 2.69Å; E168-R172 PolarHBondContact OE2-NH1 2.71Å; E168-R172 IonicContact OE2-NH2 3.78Å
169	M	96.8	Very high	95.8	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.059	35%	0.354	C	S	.	.	H	α-helix	trans	-67.8	-47.7	173	-69.9	173.6	73.4	0	0	110.9	L142 L143 Y153 V165 E166 T167 N171 R172 G173 I174 I179	L142-M169 HydrophobicContact CB-CG 4.21Å; L142-M169 HydrophobicContact CD1-CG 4.41Å; L142-M169 HydrophobicContact CD2-CG 4.11Å; L142-M169 HydrophobicContact CG-CG 4.49Å; L143-M169 HydrophobicContact CD2-CE 3.92Å; Y153-M169 HydrophobicContact CD1-CE 3.93Å; Y153-M169 HydrophobicContact CD1-SD 3.8Å; Y153-M169 HydrophobicContact CE1-CE 4.01Å; Y153-M169 HydrophobicContact CE1-SD 4.46Å; Y153-M169 HydrophobicContact CG-SD 4.11Å; V165-M169 HydrophobicContact CG1-CG 4.18Å; V165-M169 HydrophobicContact CG1-SD 3.91Å; V165-M169 WeakPolarHBondContact O-CB 3.45Å; V165-M169 VanDerWaalsContact O-CG 3.24Å; V165-M169 WeakPolarHBondContact O-CG 3.39Å; V165-M169 PolarHBondContact O-N 3.22Å; E166-M169 PolarHBondContact O-N 3.2Å; T167-M169 VanDerWaalsContact C-N 3.33Å; T167-M169 PolarHBondContact O-N 2.7Å; M169-N171 VanDerWaalsContact C-N 3.34Å; M169-N171 PolarHBondContact O-N 3.04Å; M169-R172 PolarHBondContact O-N 3.48Å; M169-G173 PolarHBondContact O-N 2.89Å; M169-I174 HydrophobicContact CB-CB 4.18Å; M169-I174 HydrophobicContact CB-CD1 4.1Å; M169-I174 HydrophobicContact CE-CG2 3.84Å; M169-I174 HydrophobicContact CG-CD1 4.02Å; M169-I174 WeakPolarHBondContact O-CB 3.4Å; M169-I174 PolarHBondContact O-N 3.44Å; M169-I179 HydrophobicContact CE-CD1 3.71Å; M169-I179 HydrophobicContact CE-CG1 4.09Å
170	A	96.7	Very high	95.7	Very high	69 Å²	69	59.3 Å²	59.3	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-61.9	-41.1	177.4	0	0	0	0	0	112	E166 T167 R172 G173	E166-A170 WeakPolarHBondContact O-CB 3.37Å; E166-A170 PolarHBondContact O-N 2.87Å; T167-A170 PolarHBondContact O-N 2.81Å; A170-R172 PolarHBondContact O-N 3.18Å; A170-G173 PolarHBondContact O-N 3.22Å
171	N	96.9	Very high	95.5	Very high	118 Å²	118	61.4 Å²	61.4	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-30.8	176.7	-74.1	-20.7	0	0	0	112.9	T167 M169 G173	T167-N171 WeakPolarHBondContact O-CB 3.44Å; T167-N171 PolarHBondContact O-N 3.4Å; T167-N171 PolarHBondContact O-ND2 2.95Å; M169-N171 VanDerWaalsContact C-N 3.34Å; M169-N171 PolarHBondContact O-N 3.04Å; N171-G173 VanDerWaalsContact C-N 3.32Å
172	R	95.9	Very high	95.3	Very high	118 Å²	118	64.9 Å²	64.9	45%	0.445	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-0.5	174.3	-72.3	-179.7	179.8	76.1	-0.5	113.6	I136 L142 E168 M169 A170 I174	I136-R172 PolarHBondContact O-NH2 3.45Å; L142-R172 VanDerWaalsContact CD1-CD 3.41Å; E168-R172 PolarHBondContact O-N 3.46Å; E168-R172 PolarHBondContact O-NH1 3.01Å; E168-R172 IonicContact OE2-CZ 3.97Å; E168-R172 IonicContact OE2-NH1 2.69Å; E168-R172 PolarHBondContact OE2-NH1 2.71Å; E168-R172 IonicContact OE2-NH2 3.78Å; M169-R172 PolarHBondContact O-N 3.48Å; A170-R172 PolarHBondContact O-N 3.18Å; R172-I174 VanDerWaalsContact C-N 3.31Å; R172-I174 HydrophobicContact CB-CD1 4.47Å; R172-I174 HydrophobicContact CB-CG1 4.24Å
173	G	96.2	Very high	95	Very high	49 Å²	49	66.4 Å²	66.4	51%	0.505	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	22.6	179.5	0	0	0	0	0	114	M169 A170 N171 T175	M169-G173 PolarHBondContact O-N 2.89Å; A170-G173 PolarHBondContact O-N 3.22Å; N171-G173 VanDerWaalsContact C-N 3.32Å; G173-T175 PolarHBondContact O-N 3.5Å
174	I	96.2	Very high	94.6	Very high	39 Å²	39	63.3 Å²	63.3	20%	0.2	34%	0.337	C	S	.	.			trans	-65.1	123.5	176.9	-65.5	177.6	0	0	0	108.8	L142 L143 M169 R172 D178 I179	L142-I174 HydrophobicContact CB-CD1 4Å; L142-I174 HydrophobicContact CD1-CD1 3.95Å; L143-I174 HydrophobicContact CD1-CD1 4.42Å; L143-I174 HydrophobicContact CD1-CG2 4.18Å; L143-I174 HydrophobicContact CD2-CD1 4.36Å; L143-I174 HydrophobicContact CD2-CG2 3.83Å; L143-I174 HydrophobicContact CG-CD1 4.12Å; L143-I174 HydrophobicContact CG-CG2 4.35Å; M169-I174 HydrophobicContact CB-CB 4.18Å; M169-I174 HydrophobicContact CB-CD1 4.1Å; M169-I174 HydrophobicContact CE-CG2 3.84Å; M169-I174 HydrophobicContact CG-CD1 4.02Å; M169-I174 WeakPolarHBondContact O-CB 3.4Å; M169-I174 PolarHBondContact O-N 3.44Å; R172-I174 VanDerWaalsContact C-N 3.31Å; R172-I174 HydrophobicContact CB-CD1 4.47Å; R172-I174 HydrophobicContact CB-CG1 4.24Å; I174-D178 HydrophobicContact CG2-CB 4.43Å; I174-I179 HydrophobicContact CG2-CD1 4.37Å; I174-I179 HydrophobicContact CG2-CG1 4.03Å
175	T	95.2	Very high	94.2	Very high	67 Å²	67	63.2 Å²	63.2	41%	0.411	34%	0.341	S	S	.	.			trans	-100.3	167.3	179.4	71.3	0	0	0	0	111.4	G173 D177 D178 I179	G173-T175 PolarHBondContact O-N 3.5Å; T175-D177 PolarHBondContact O-N 3.4Å; T175-D177 PolarHBondContact OG1-N 2.96Å; T175-D178 WeakPolarHBondContact CA-OD2 3.38Å; T175-D178 WeakPolarHBondContact CB-OD2 3.49Å; T175-D178 PolarHBondContact N-OD2 3.23Å; T175-D178 PolarHBondContact O-N 2.99Å; T175-D178 VanDerWaalsContact OG1-CG 3.23Å; T175-D178 PolarHBondContact OG1-N 3.2Å; T175-D178 PolarHBondContact OG1-OD2 3Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 2.95Å
176	Q	92.5	Very high	93.8	Very high	80 Å²	80	65.7 Å²	65.7	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-62.4	-32.2	172.7	-173.4	61.1	47	0	0	112	D178 I179 D180	Q176-D178 VanDerWaalsContact C-N 3.33Å; Q176-I179 PolarHBondContact O-N 3.3Å; Q176-D180 PolarHBondContact NE2-OD1 3.35Å; Q176-D180 WeakPolarHBondContact O-CB 3.28Å; Q176-D180 PolarHBondContact O-N 3.28Å
177	D	94.6	Very high	93.6	Very high	125 Å²	125	62.9 Å²	62.9	67%	0.668	34%	0.341	S	S	*	.	H	α-helix	trans	-66.6	-38	178.4	-66.6	-21.5	0	0	0	110.6	T175 D180 E181	T175-D177 PolarHBondContact O-N 3.4Å; T175-D177 PolarHBondContact OG1-N 2.96Å; D177-D180 PolarHBondContact O-N 2.83Å; D177-E181 VanDerWaalsContact O-CB 3.23Å; D177-E181 WeakPolarHBondContact O-CB 3.43Å; D177-E181 PolarHBondContact O-N 2.82Å
178	D	95	Very high	93.4	Very high	62 Å²	62	65 Å²	65	33%	0.332	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-40.3	174.8	-55	-55	0	0	0	111.5	L143 I174 T175 Q176 E181 E182	L143-D178 HydrophobicContact CD1-CB 4.17Å; I174-D178 HydrophobicContact CG2-CB 4.43Å; T175-D178 WeakPolarHBondContact CA-OD2 3.38Å; T175-D178 WeakPolarHBondContact CB-OD2 3.49Å; T175-D178 PolarHBondContact N-OD2 3.23Å; T175-D178 PolarHBondContact O-N 2.99Å; T175-D178 VanDerWaalsContact OG1-CG 3.23Å; T175-D178 PolarHBondContact OG1-N 3.2Å; T175-D178 PolarHBondContact OG1-OD2 3Å; Q176-D178 VanDerWaalsContact C-N 3.33Å; D178-E181 PolarHBondContact O-N 3.3Å; D178-E182 PolarHBondContact O-N 3.32Å
179	I	93.7	Very high	93.2	Very high	12 Å²	12	68.7 Å²	68.7	6%	0.062	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-47.6	176.3	-66.3	168.4	0	0	0	110.7	L143 M151 M169 I174 T175 Q176 E181 E182 R183	L143-I179 HydrophobicContact CD2-CG1 3.73Å; M151-I179 HydrophobicContact CE-CB 4.49Å; M151-I179 HydrophobicContact CE-CG2 4Å; M151-I179 HydrophobicContact SD-CG1 4.42Å; M151-I179 HydrophobicContact SD-CG2 3.91Å; M169-I179 HydrophobicContact CE-CD1 3.71Å; M169-I179 HydrophobicContact CE-CG1 4.09Å; I174-I179 HydrophobicContact CG2-CD1 4.37Å; I174-I179 HydrophobicContact CG2-CG1 4.03Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 2.95Å; Q176-I179 PolarHBondContact O-N 3.3Å; I179-E181 VanDerWaalsContact C-N 3.3Å; I179-E181 PolarHBondContact O-N 3.12Å; I179-E182 PolarHBondContact O-N 2.53Å; I179-R183 VanDerWaalsContact CG2-NH1 3.34Å; I179-R183 WeakPolarHBondContact O-CB 3.42Å; I179-R183 WeakPolarHBondContact O-CG 3.38Å; I179-R183 PolarHBondContact O-N 3Å
180	D	91.8	Very high	93	Very high	62 Å²	62	68.9 Å²	68.9	33%	0.332	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-35.3	179.8	-72.9	-1.7	0	0	0	111	Q176 D177 S184	Q176-D180 PolarHBondContact NE2-OD1 3.35Å; Q176-D180 WeakPolarHBondContact O-CB 3.28Å; Q176-D180 PolarHBondContact O-N 3.28Å; D177-D180 PolarHBondContact O-N 2.83Å; D180-S184 VanDerWaalsContact O-CB 3.3Å; D180-S184 WeakPolarHBondContact O-CB 3.26Å; D180-S184 PolarHBondContact O-N 3.25Å; D180-S184 PolarHBondContact O-OG 2.91Å
181	E	91.8	Very high	92.9	Very high	99 Å²	99	67.3 Å²	67.3	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-64.7	-44.2	175.3	-175.6	163.3	-159.6	0	0	112.1	D177 D178 I179 S184 C185 R188	D177-E181 VanDerWaalsContact O-CB 3.23Å; D177-E181 WeakPolarHBondContact O-CB 3.43Å; D177-E181 PolarHBondContact O-N 2.82Å; D178-E181 PolarHBondContact O-N 3.3Å; I179-E181 VanDerWaalsContact C-N 3.3Å; I179-E181 PolarHBondContact O-N 3.12Å; E181-S184 PolarHBondContact O-N 2.88Å; E181-S184 PolarHBondContact O-OG 2.81Å; E181-S184 VanDerWaalsContact O-OG 3.11Å; E181-C185 PolarHBondContact O-N 3.41Å; E181-C185 VanDerWaalsContact O-N 3.13Å; E181-R188 PolarHBondContact O-NH2 3.46Å; E181-R188 IonicContact OE1-CZ 2.82Å; E181-R188 IonicContact OE1-NH1 2.76Å; E181-R188 PolarHBondContact OE1-NH1 2.97Å; E181-R188 IonicContact OE1-NH2 2.76Å; E181-R188 PolarHBondContact OE1-NH2 3.3Å
182	E	91.7	Very high	92.9	Very high	73 Å²	73	67 Å²	67	34%	0.341	33%	0.332	S	S	.	.	H	α-helix	trans	-72.2	-39.9	179.5	-164.6	59.5	-137	0	0	111.4	L143 V145 M151 D178 I179 S184 C185	L143-E182 HydrophobicContact CB-CB 4.38Å; L143-E182 HydrophobicContact CB-CG 4.07Å; L143-E182 VanDerWaalsContact O-CG 3.31Å; L143-E182 WeakPolarHBondContact O-CG 3.36Å; V145-E182 HydrophobicContact CG2-CG 4.19Å; M151-E182 HydrophobicContact CE-CB 3.85Å; M151-E182 HydrophobicContact CE-CG 4.2Å; D178-E182 PolarHBondContact O-N 3.32Å; I179-E182 PolarHBondContact O-N 2.53Å; E182-S184 VanDerWaalsContact C-N 3.28Å; E182-S184 PolarHBondContact O-N 3.11Å; E182-C185 VanDerWaalsContact O-CB 3.31Å; E182-C185 WeakPolarHBondContact O-CB 3.35Å; E182-C185 PolarHBondContact O-N 3.43Å; E182-C185 PolarHBondContact O-SG 3.5Å
183	R	89.2	Confident	92.7	Very high	82 Å²	82	64.3 Å²	64.3	31%	0.309	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-36.6	173.6	-75.1	-177.3	173	142.6	-1.7	112.8	M151 Y153 D154 I179 C185	M151-R183 HydrophobicContact CE-CG 3.83Å; Y153-R183 PolarHBondContact OH-NH1 2.78Å; Y153-R183 PolarHBondContact OH-NH2 3.48Å; D154-R183 IonicContact OD1-NH2 3.7Å; D154-R183 PolarHBondContact OD1-NH2 2.86Å; D154-R183 IonicContact OD2-CZ 3.24Å; D154-R183 IonicContact OD2-NH2 3.26Å; D154-R183 PolarHBondContact OD2-NH2 3.34Å; I179-R183 VanDerWaalsContact CG2-NH1 3.34Å; I179-R183 WeakPolarHBondContact O-CB 3.42Å; I179-R183 WeakPolarHBondContact O-CG 3.38Å; I179-R183 PolarHBondContact O-N 3Å; R183-C185 VanDerWaalsContact C-N 3.33Å
184	S	90.3	Very high	92.6	Very high	35 Å²	35	62.7 Å²	62.7	25%	0.245	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.3	179.3	62.9	0	0	0	0	113.9	D180 E181 E182 N186 E187 R188	D180-S184 VanDerWaalsContact O-CB 3.3Å; D180-S184 WeakPolarHBondContact O-CB 3.26Å; D180-S184 PolarHBondContact O-N 3.25Å; D180-S184 PolarHBondContact O-OG 2.91Å; E181-S184 PolarHBondContact O-N 2.88Å; E181-S184 PolarHBondContact O-OG 2.81Å; E181-S184 VanDerWaalsContact O-OG 3.11Å; E182-S184 VanDerWaalsContact C-N 3.28Å; E182-S184 PolarHBondContact O-N 3.11Å; S184-N186 VanDerWaalsContact C-N 3.28Å; S184-N186 PolarHBondContact O-N 3.37Å; S184-E187 PolarHBondContact O-N 2.89Å; S184-R188 WeakPolarHBondContact O-CB 3.25Å; S184-R188 WeakPolarHBondContact O-CG 3.46Å; S184-R188 PolarHBondContact O-N 3.42Å
185	C	89.1	Confident	92.6	Very high	32 Å²	32	65 Å²	65	22%	0.216	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-40.3	-175.2	78.9	0	0	0	0	112.1	E181 E182 R183 R189	E181-C185 PolarHBondContact O-N 3.41Å; E181-C185 VanDerWaalsContact O-N 3.13Å; E182-C185 VanDerWaalsContact O-CB 3.31Å; E182-C185 WeakPolarHBondContact O-CB 3.35Å; E182-C185 PolarHBondContact O-N 3.43Å; E182-C185 PolarHBondContact O-SG 3.5Å; R183-C185 VanDerWaalsContact C-N 3.33Å; C185-R189 VanDerWaalsContact O-CB 3.31Å; C185-R189 WeakPolarHBondContact O-CB 3.04Å; C185-R189 PolarHBondContact O-N 2.94Å
186	N	85.6	Confident	92.6	Very high	53 Å²	53	65.9 Å²	65.9	28%	0.283	32%	0.315	S	S	.	.	H	α-helix	trans	-70	-42.4	179.8	-73.3	-31.8	0	0	0	112.3	S184 M190 Y223 W398	S184-N186 VanDerWaalsContact C-N 3.28Å; S184-N186 PolarHBondContact O-N 3.37Å; N186-M190 WeakPolarHBondContact O-CB 3.47Å; N186-M190 PolarHBondContact O-N 3.48Å; N186-Y223 WeakPolarHBondContact CB-OH 3.36Å; N186-W398 HydrophobicContact CB-CH2 3.61Å; N186-W398 HydrophobicContact CB-CZ3 3.99Å; N186-W398 WeakPolarHBondContact OD1-CH2 3.26Å
187	E	92.6	Very high	92.7	Very high	36 Å²	36	63.2 Å²	63.2	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-48.6	174.5	-178.7	176.1	-175.6	0	0	111	S184 R189 M190 L191 Y223 Y224 S225 V226	S184-E187 PolarHBondContact O-N 2.89Å; E187-R189 PolarHBondContact O-N 2.97Å; E187-M190 PolarHBondContact O-N 3.23Å; E187-L191 WeakPolarHBondContact O-CB 3.49Å; E187-L191 PolarHBondContact O-N 2.89Å; E187-Y223 HydrophobicContact CB-CD1 3.6Å; E187-Y223 HydrophobicContact CB-CE1 3.97Å; E187-Y223 HydrophobicContact CB-CG 3.92Å; E187-Y223 HydrophobicContact CG-CD1 3.99Å; E187-Y223 HydrophobicContact CG-CG 3.97Å; E187-Y224 PolarHBondContact OE1-N 3.03Å; E187-S225 WeakPolarHBondContact OE1-CA 3.28Å; E187-S225 WeakPolarHBondContact OE1-CB 3.27Å; E187-S225 PolarHBondContact OE1-N 3.37Å; E187-S225 PolarHBondContact OE1-OG 2.96Å; E187-V226 HydrophobicContact CG-CG2 4Å; E187-V226 WeakPolarHBondContact O-CG2 3.35Å
188	R	93.2	Very high	92.7	Very high	103 Å²	103	61.9 Å²	61.9	39%	0.389	29%	0.292	S	S	.	.	H	α-helix	trans	-58.7	-48.2	178.9	-75.1	-168.8	-64	169.5	2.3	111.2	E181 S184 M190 L191 E192	E181-R188 PolarHBondContact O-NH2 3.46Å; E181-R188 IonicContact OE1-CZ 2.82Å; E181-R188 IonicContact OE1-NH1 2.76Å; E181-R188 PolarHBondContact OE1-NH1 2.97Å; E181-R188 IonicContact OE1-NH2 2.76Å; E181-R188 PolarHBondContact OE1-NH2 3.3Å; S184-R188 WeakPolarHBondContact O-CB 3.25Å; S184-R188 WeakPolarHBondContact O-CG 3.46Å; S184-R188 PolarHBondContact O-N 3.42Å; R188-M190 PolarHBondContact O-N 2.72Å; R188-L191 WeakPolarHBondContact O-CB 3.26Å; R188-L191 PolarHBondContact O-N 3.2Å; R188-E192 WeakPolarHBondContact O-CG 3.5Å; R188-E192 PolarHBondContact O-N 3Å
189	R	93.3	Very high	92.7	Very high	116 Å²	116	63 Å²	63	44%	0.438	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-45	178.7	178.5	172.9	170.1	174.7	4.6	111.8	C185 E187 L191 E192 E193 W398	C185-R189 VanDerWaalsContact O-CB 3.31Å; C185-R189 WeakPolarHBondContact O-CB 3.04Å; C185-R189 PolarHBondContact O-N 2.94Å; E187-R189 PolarHBondContact O-N 2.97Å; R189-L191 VanDerWaalsContact C-N 3.34Å; R189-L191 PolarHBondContact O-N 3.1Å; R189-E192 PolarHBondContact O-N 3.04Å; R189-E193 IonicContact CZ-OE1 3.43Å; R189-E193 IonicContact NE-OE1 3.51Å; R189-E193 PolarHBondContact NE-OE1 3.06Å; R189-E193 IonicContact NH2-OE1 3.47Å; R189-E193 WeakPolarHBondContact O-CB 3.49Å; R189-E193 VanDerWaalsContact O-CG 3.28Å; R189-E193 WeakPolarHBondContact O-CG 3.41Å; R189-E193 PolarHBondContact O-N 3.17Å; R189-W398 HydrophobicContact CG-CZ2 4.39Å
190	M	92.1	Very high	92.8	Very high	17 Å²	17	68.7 Å²	68.7	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-40.8	177.2	-173.8	178	178	0	0	111.3	N186 E187 R188 E193 M194 P214 A217 A218 Y223 V226	N186-M190 WeakPolarHBondContact O-CB 3.47Å; N186-M190 PolarHBondContact O-N 3.48Å; E187-M190 PolarHBondContact O-N 3.23Å; R188-M190 PolarHBondContact O-N 2.72Å; M190-E193 PolarHBondContact O-N 3.17Å; M190-M194 VanDerWaalsContact O-CG 3.3Å; M190-M194 WeakPolarHBondContact O-CG 3.44Å; M190-M194 PolarHBondContact O-N 2.78Å; M190-P214 HydrophobicContact CE-CB 3.83Å; M190-P214 WeakPolarHBondContact CE-O 3.1Å; M190-A217 HydrophobicContact CE-CB 4.23Å; M190-A218 HydrophobicContact CE-CB 4.44Å; M190-Y223 HydrophobicContact SD-CD2 3.73Å; M190-Y223 HydrophobicContact SD-CE2 4.14Å; M190-V226 HydrophobicContact CB-CG2 4.1Å; M190-V226 HydrophobicContact CE-CG1 3.83Å; M190-V226 HydrophobicContact CG-CG1 3.98Å; M190-V226 HydrophobicContact CG-CG2 4.17Å; M190-V226 HydrophobicContact SD-CG1 3.93Å; M190-V226 HydrophobicContact SD-CG2 4.41Å
191	L	95.4	Very high	92.8	Very high	35 Å²	35	68.9 Å²	68.9	18%	0.183	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-47.8	177.1	-178.9	61.6	0	0	0	111.6	E187 R188 R189 E193 M194 Q195 V226 F229	E187-L191 WeakPolarHBondContact O-CB 3.49Å; E187-L191 PolarHBondContact O-N 2.89Å; R188-L191 WeakPolarHBondContact O-CB 3.26Å; R188-L191 PolarHBondContact O-N 3.2Å; R189-L191 VanDerWaalsContact C-N 3.34Å; R189-L191 PolarHBondContact O-N 3.1Å; L191-E193 VanDerWaalsContact C-N 3.32Å; L191-E193 PolarHBondContact O-N 3.44Å; L191-M194 PolarHBondContact O-N 3.49Å; L191-Q195 HydrophobicContact CD1-CG 4.41Å; L191-Q195 WeakPolarHBondContact O-CB 3.38Å; L191-Q195 VanDerWaalsContact O-CG 3.27Å; L191-Q195 WeakPolarHBondContact O-CG 3.25Å; L191-Q195 PolarHBondContact O-N 3.23Å; L191-V226 HydrophobicContact CB-CG2 3.86Å; L191-F229 HydrophobicContact CD1-CB 3.63Å; L191-F229 HydrophobicContact CD1-CD1 4.22Å; L191-F229 HydrophobicContact CD1-CD2 4.44Å; L191-F229 HydrophobicContact CD1-CG 3.84Å
192	E	95.6	Very high	92.9	Very high	113 Å²	113	67.5 Å²	67.5	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-59.5	-43.6	176.1	-73	175.1	-173.4	0	0	111.4	R188 R189 Q195 I196	R188-E192 WeakPolarHBondContact O-CG 3.5Å; R188-E192 PolarHBondContact O-N 3Å; R189-E192 PolarHBondContact O-N 3.04Å; E192-Q195 PolarHBondContact O-N 3.46Å; E192-I196 WeakPolarHBondContact O-CB 3.49Å; E192-I196 VanDerWaalsContact O-CG1 3.25Å; E192-I196 WeakPolarHBondContact O-CG1 3.48Å; E192-I196 PolarHBondContact O-N 3.47Å
193	E	92.3	Very high	92.9	Very high	61 Å²	61	67.6 Å²	67.6	29%	0.285	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-47.3	175.5	-74.6	176.5	-168.8	0	0	111	R189 M190 L191 Q195 I196 M197	R189-E193 IonicContact CZ-OE1 3.43Å; R189-E193 IonicContact NE-OE1 3.51Å; R189-E193 PolarHBondContact NE-OE1 3.06Å; R189-E193 IonicContact NH2-OE1 3.47Å; R189-E193 WeakPolarHBondContact O-CB 3.49Å; R189-E193 VanDerWaalsContact O-CG 3.28Å; R189-E193 WeakPolarHBondContact O-CG 3.41Å; R189-E193 PolarHBondContact O-N 3.17Å; M190-E193 PolarHBondContact O-N 3.17Å; L191-E193 VanDerWaalsContact C-N 3.32Å; L191-E193 PolarHBondContact O-N 3.44Å; E193-Q195 PolarHBondContact O-N 3.17Å; E193-I196 PolarHBondContact O-N 2.9Å; E193-M197 VanDerWaalsContact O-CG 3.27Å; E193-M197 WeakPolarHBondContact O-CG 3.47Å; E193-M197 PolarHBondContact O-N 3.31Å
194	M	94.6	Very high	93.1	Very high	14 Å²	14	64.3 Å²	64.3	7%	0.069	34%	0.341	C	S	.	.	H	α-helix	trans	-63.2	-39.6	177	-66.2	-55.1	104.2	0	0	112.3	M190 L191 M197 H198 L204 P214 V226 F229 L230	M190-M194 VanDerWaalsContact O-CG 3.3Å; M190-M194 WeakPolarHBondContact O-CG 3.44Å; M190-M194 PolarHBondContact O-N 2.78Å; L191-M194 PolarHBondContact O-N 3.49Å; M194-M197 HydrophobicContact CE-SD 4.02Å; M194-M197 PolarHBondContact O-N 3.39Å; M194-H198 WeakPolarHBondContact O-CB 3.29Å; M194-H198 PolarHBondContact O-N 3.37Å; M194-L204 HydrophobicContact CB-CD2 4.44Å; M194-L204 HydrophobicContact SD-CD2 4.19Å; M194-P214 HydrophobicContact CE-CG 4.5Å; M194-P214 HydrophobicContact SD-CB 3.82Å; M194-P214 HydrophobicContact SD-CG 4.05Å; M194-V226 HydrophobicContact CG-CG1 4.22Å; M194-F229 HydrophobicContact CB-CD1 3.92Å; M194-F229 HydrophobicContact CB-CE1 3.8Å; M194-L230 HydrophobicContact CB-CD2 4.48Å; M194-L230 HydrophobicContact CG-CD2 4.08Å; M194-L230 HydrophobicContact SD-CD2 3.97Å
195	Q	96	Very high	93	Very high	88 Å²	88	65.8 Å²	65.8	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-42.9	176.6	-74.9	173.5	-7.9	0	0	112	L191 E192 E193 H198 A199 F229	L191-Q195 HydrophobicContact CD1-CG 4.41Å; L191-Q195 WeakPolarHBondContact O-CB 3.38Å; L191-Q195 VanDerWaalsContact O-CG 3.27Å; L191-Q195 WeakPolarHBondContact O-CG 3.25Å; L191-Q195 PolarHBondContact O-N 3.23Å; E192-Q195 PolarHBondContact O-N 3.46Å; E193-Q195 PolarHBondContact O-N 3.17Å; Q195-H198 PolarHBondContact O-N 2.98Å; Q195-A199 WeakPolarHBondContact O-CB 3.28Å; Q195-A199 PolarHBondContact O-N 3.49Å; Q195-F229 HydrophobicContact CB-CZ 4.3Å; Q195-F229 HydrophobicContact CG-CD2 4.27Å; Q195-F229 HydrophobicContact CG-CE1 4.14Å; Q195-F229 HydrophobicContact CG-CE2 3.76Å; Q195-F229 HydrophobicContact CG-CZ 3.69Å
196	I	95.6	Very high	93.1	Very high	85 Å²	85	67.5 Å²	67.5	44%	0.436	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-43.1	176.2	-69.6	165.7	0	0	0	110.6	E192 E193 A199 R200	E192-I196 WeakPolarHBondContact O-CB 3.49Å; E192-I196 VanDerWaalsContact O-CG1 3.25Å; E192-I196 WeakPolarHBondContact O-CG1 3.48Å; E192-I196 PolarHBondContact O-N 3.47Å; E193-I196 PolarHBondContact O-N 2.9Å; I196-A199 PolarHBondContact O-N 3.36Å; I196-R200 WeakPolarHBondContact O-CG 3.4Å; I196-R200 PolarHBondContact O-N 2.8Å; I196-R200 VanDerWaalsContact O-N 3.1Å
197	M	93.4	Very high	93.4	Very high	24 Å²	24	71 Å²	71	12%	0.118	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-45.4	177.2	-70.1	-174.4	80.1	0	0	111.4	E193 M194 A199 R200 G201 D202 L204 I206 W390	E193-M197 VanDerWaalsContact O-CG 3.27Å; E193-M197 WeakPolarHBondContact O-CG 3.47Å; E193-M197 PolarHBondContact O-N 3.31Å; M194-M197 HydrophobicContact CE-SD 4.02Å; M194-M197 PolarHBondContact O-N 3.39Å; M197-A199 PolarHBondContact O-N 2.89Å; M197-R200 PolarHBondContact O-N 3.06Å; M197-R200 VanDerWaalsContact O-N 3.16Å; M197-G201 PolarHBondContact O-N 2.9Å; M197-D202 HydrophobicContact CB-CB 4.12Å; M197-D202 HydrophobicContact CE-CB 4.12Å; M197-D202 WeakPolarHBondContact O-CB 3.45Å; M197-D202 PolarHBondContact O-N 2.91Å; M197-L204 HydrophobicContact CB-CD2 4.05Å; M197-I206 HydrophobicContact CE-CD1 3.21Å; M197-I206 HydrophobicContact SD-CD1 4.44Å; M197-W390 HydrophobicContact CE-CZ2 4.42Å
198	H	94.6	Very high	93.2	Very high	97 Å²	97	71 Å²	71	45%	0.449	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-44.3	175.4	-174.2	64.8	0	0	0	112.1	M194 Q195 R200 G201 L204 F229	M194-H198 WeakPolarHBondContact O-CB 3.29Å; M194-H198 PolarHBondContact O-N 3.37Å; Q195-H198 PolarHBondContact O-N 2.98Å; H198-R200 PolarHBondContact O-N 3.02Å; H198-G201 PolarHBondContact O-N 3.29Å; H198-L204 HydrophobicContact CB-CD1 4.27Å; H198-L204 HydrophobicContact CB-CD2 4.4Å; H198-F229 HydrophobicContact CB-CE1 4.35Å; H198-F229 HydrophobicContact CB-CZ 3.95Å
199	A	95.7	Very high	93.2	Very high	87 Å²	87	74.6 Å²	74.6	72%	0.719	38%	0.382	S	S	*	.	H	α-helix	trans	-63.3	-26.9	178.1	0	0	0	0	0	113.3	Q195 I196 M197 G201	Q195-A199 WeakPolarHBondContact O-CB 3.28Å; Q195-A199 PolarHBondContact O-N 3.49Å; I196-A199 PolarHBondContact O-N 3.36Å; M197-A199 PolarHBondContact O-N 2.89Å; A199-G201 VanDerWaalsContact C-N 3.34Å
200	R	95.6	Very high	93	Very high	130 Å²	130	70.5 Å²	70.5	49%	0.491	38%	0.375	S	S	.	.	H	α-helix	trans	-82.2	-11.8	174.1	-70.2	173.8	-176.7	177.3	3.3	113.5	I196 M197 H198 D202 H387	I196-R200 WeakPolarHBondContact O-CG 3.4Å; I196-R200 PolarHBondContact O-N 2.8Å; I196-R200 VanDerWaalsContact O-N 3.1Å; M197-R200 PolarHBondContact O-N 3.06Å; M197-R200 VanDerWaalsContact O-N 3.16Å; H198-R200 PolarHBondContact O-N 3.02Å; R200-D202 VanDerWaalsContact C-N 3.3Å; R200-H387 PolarHBondContact NH1-NE2 3.45Å
201	G	92.5	Very high	92.9	Very high	67 Å²	67	70 Å²	70	69%	0.691	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	18.2	-171.1	0	0	0	0	0	113.4	M197 H198 A199	M197-G201 PolarHBondContact O-N 2.9Å; H198-G201 PolarHBondContact O-N 3.29Å; A199-G201 VanDerWaalsContact C-N 3.34Å
202	D	92.5	Very high	92.8	Very high	69 Å²	69	68.7 Å²	68.7	37%	0.369	37%	0.369	S	S	.	.			trans	-70.6	150.1	173.3	-65.6	-35.4	0	0	0	109.9	M197 R200	M197-D202 HydrophobicContact CB-CB 4.12Å; M197-D202 HydrophobicContact CE-CB 4.12Å; M197-D202 WeakPolarHBondContact O-CB 3.45Å; M197-D202 PolarHBondContact O-N 2.91Å; R200-D202 VanDerWaalsContact C-N 3.3Å
203	S	92.6	Very high	92.8	Very high	76 Å²	76	63.5 Å²	63.5	53%	0.531	35%	0.345	S	S	.	.			trans	-67.6	134.4	175.3	-176.1	0	0	0	0	110.5	D205 I206	S203-D205 PolarHBondContact OG-N 3.22Å; S203-I206 VanDerWaalsContact O-CD1 3.31Å; S203-I206 WeakPolarHBondContact O-CD1 3.49Å; S203-I206 VanDerWaalsContact O-CG1 3.29Å; S203-I206 WeakPolarHBondContact O-CG1 3.46Å
204	L	92	Very high	92.9	Very high	13 Å²	13	61.7 Å²	61.7	7%	0.068	34%	0.339	C	S	.	.	S	Bend	trans	-87.8	-14.7	173.3	-61.7	175	0	0	0	112.3	M194 M197 H198 I206 P214 F229 L230 C233 C235	M194-L204 HydrophobicContact CB-CD2 4.44Å; M194-L204 HydrophobicContact SD-CD2 4.19Å; M197-L204 HydrophobicContact CB-CD2 4.05Å; H198-L204 HydrophobicContact CB-CD1 4.27Å; H198-L204 HydrophobicContact CB-CD2 4.4Å; L204-I206 PolarHBondContact O-N 3.24Å; L204-I206 VanDerWaalsContact O-N 3.13Å; L204-P214 WeakPolarHBondContact O-CD 3.34Å; L204-P214 WeakPolarHBondContact O-CG 3.32Å; L204-F229 HydrophobicContact CD1-CE1 4.42Å; L204-L230 HydrophobicContact CB-CD2 3.99Å; L204-L230 HydrophobicContact CD1-CD2 4.14Å; L204-L230 HydrophobicContact CD2-CD2 4.42Å; L204-L230 HydrophobicContact CG-CD2 4.41Å; L204-C233 HydrophobicContact CD1-CB 3.57Å; L204-C235 VanDerWaalsContact CB-SG 3.54Å
205	D	89.4	Confident	92.9	Very high	65 Å²	65	61.1 Å²	61.1	35%	0.348	34%	0.336	S	S	.	.			trans	-88.8	41.7	-180	-69.1	-24.9	0	0	0	112.1	S203 C235	S203-D205 PolarHBondContact OG-N 3.22Å; D205-C235 WeakPolarHBondContact OD1-CB 3.43Å; D205-C235 PolarHBondContact OD1-SG 3.49Å
206	I	91.1	Very high	92.9	Very high	69 Å²	69	57.7 Å²	57.7	35%	0.354	32%	0.32	S	S	.	.			trans	-70.8	137.4	177.9	-60.4	166.3	0	0	0	108.6	M197 S203 L204 T213 P214	M197-I206 HydrophobicContact CE-CD1 3.21Å; M197-I206 HydrophobicContact SD-CD1 4.44Å; S203-I206 VanDerWaalsContact O-CD1 3.31Å; S203-I206 WeakPolarHBondContact O-CD1 3.49Å; S203-I206 VanDerWaalsContact O-CG1 3.29Å; S203-I206 WeakPolarHBondContact O-CG1 3.46Å; L204-I206 PolarHBondContact O-N 3.24Å; L204-I206 VanDerWaalsContact O-N 3.13Å; I206-T213 WeakPolarHBondContact O-CA 3.44Å; I206-P214 WeakPolarHBondContact O-CD 3.36Å
207	R	91.8	Very high	92.7	Very high	126 Å²	126	54.3 Å²	54.3	48%	0.475	31%	0.305	S	S	.	.			trans	-110.8	137.7	179	-68.6	174.6	176.5	-109	11.6	110.9	G211 A212 T213 V239 R240	R207-G211 PolarHBondContact NH1-O 3.41Å; R207-A212 VanDerWaalsContact CA-O 3.3Å; R207-A212 WeakPolarHBondContact CA-O 3.46Å; R207-T213 HydrophobicContact CG-CG2 3.81Å; R207-V239 VanDerWaalsContact NH2-CG1 3.32Å; R207-R240 PolarHBondContact NH1-O 3.32Å
208	D	88.8	Confident	92.7	Very high	35 Å²	35	53.2 Å²	53.2	19%	0.187	30%	0.299	C	S	.	.			trans	-79.6	-172.2	170.6	75.1	-2.1	0	0	0	112	G210 G211 A212 M399	D208-G210 PolarHBondContact O-N 3.45Å; D208-G210 VanDerWaalsContact OD1-C 3.26Å; D208-G210 VanDerWaalsContact OD1-CA 3.26Å; D208-G210 WeakPolarHBondContact OD1-CA 3.42Å; D208-G210 PolarHBondContact OD1-N 3.27Å; D208-G211 PolarHBondContact O-N 2.85Å; D208-G211 VanDerWaalsContact O-N 3.09Å; D208-G211 PolarHBondContact OD1-N 3.28Å; D208-A212 PolarHBondContact N-O 3.49Å; D208-A212 PolarHBondContact OD1-N 3.05Å; D208-M399 HydrophobicContact CB-CE 3.86Å; D208-M399 HydrophobicContact CB-CG 3.97Å; D208-M399 HydrophobicContact CB-SD 3.41Å; D208-M399 WeakPolarHBondContact CB-SD 3.44Å
209	K	91.6	Very high	92.7	Very high	179 Å²	179	48.6 Å²	48.6	78%	0.778	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27	177.4	-64.7	174.9	-174.7	163.9	0	112.6	G211 N242	K209-G211 VanDerWaalsContact C-N 3.34Å; K209-N242 PolarHBondContact O-ND2 3.35Å
210	G	89.4	Confident	92.5	Very high	30 Å²	30	45 Å²	45	31%	0.309	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.8	175.1	0	0	0	0	0	113.6	D208 A212 D241 N242	D208-G210 PolarHBondContact O-N 3.45Å; D208-G210 VanDerWaalsContact OD1-C 3.26Å; D208-G210 VanDerWaalsContact OD1-CA 3.26Å; D208-G210 WeakPolarHBondContact OD1-CA 3.42Å; D208-G210 PolarHBondContact OD1-N 3.27Å; G210-A212 VanDerWaalsContact C-N 3.29Å; G210-D241 WeakPolarHBondContact O-CB 3.48Å; G210-N242 VanDerWaalsContact C-ND2 3.29Å; G210-N242 WeakPolarHBondContact CA-ND2 3.27Å; G210-N242 VanDerWaalsContact O-CB 3.26Å; G210-N242 WeakPolarHBondContact O-CB 3.43Å; G210-N242 PolarHBondContact O-N 3.28Å; G210-N242 PolarHBondContact O-ND2 3.47Å; G210-N242 PolarHBondContact O-OD1 2.92Å
211	G	91.6	Very high	92	Very high	6 Å²	6	40 Å²	40	6%	0.062	23%	0.231	C	C	.	.	S	Bend	trans	83	3	-176.1	0	0	0	0	0	114.2	R207 D208 K209	R207-G211 PolarHBondContact NH1-O 3.41Å; D208-G211 PolarHBondContact O-N 2.85Å; D208-G211 VanDerWaalsContact O-N 3.09Å; D208-G211 PolarHBondContact OD1-N 3.28Å; K209-G211 VanDerWaalsContact C-N 3.34Å
212	A	93	Very high	92	Very high	8 Å²	8	37.7 Å²	37.7	7%	0.066	21%	0.207	C	C	.	.			trans	-74.8	144.9	179.4	0	0	0	0	0	111.2	R207 D208 G210 H216 D241	R207-A212 VanDerWaalsContact CA-O 3.3Å; R207-A212 WeakPolarHBondContact CA-O 3.46Å; D208-A212 PolarHBondContact N-O 3.49Å; D208-A212 PolarHBondContact OD1-N 3.05Å; G210-A212 VanDerWaalsContact C-N 3.29Å; A212-H216 HydrophobicContact CB-CB 4.15Å; A212-D241 HydrophobicContact CB-CB 4.48Å
213	T	94.3	Very high	92	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.031	20%	0.195	C	C	.	.			trans	-108.2	166.2	-179.7	60.8	0	0	0	0	111.8	I206 R207 L215 H216 A217 V239	I206-T213 WeakPolarHBondContact O-CA 3.44Å; R207-T213 HydrophobicContact CG-CG2 3.81Å; T213-L215 PolarHBondContact O-N 3.07Å; T213-L215 VanDerWaalsContact O-N 3.08Å; T213-H216 PolarHBondContact N-ND1 2.88Å; T213-H216 WeakPolarHBondContact O-CA 3.25Å; T213-H216 VanDerWaalsContact O-CB 3.32Å; T213-H216 WeakPolarHBondContact O-CB 3.25Å; T213-H216 PolarHBondContact O-N 3.27Å; T213-H216 PolarHBondContact OG1-ND1 3.5Å; T213-A217 PolarHBondContact O-N 2.87Å; T213-A217 VanDerWaalsContact O-N 3.15Å; T213-V239 HydrophobicContact CG2-CB 4.48Å; T213-V239 HydrophobicContact CG2-CG1 3.55Å
214	P	94.4	Very high	92.2	Very high	23 Å²	23	34.3 Å²	34.3	15%	0.149	18%	0.178	C	C	.	.	H	α-helix	trans	-50.7	-33.3	171.2	-30.7	36.7	0	0	0	113.4	M190 M194 L204 I206 A217 A218 L230	M190-P214 HydrophobicContact CE-CB 3.83Å; M190-P214 WeakPolarHBondContact CE-O 3.1Å; M194-P214 HydrophobicContact CE-CG 4.5Å; M194-P214 HydrophobicContact SD-CB 3.82Å; M194-P214 HydrophobicContact SD-CG 4.05Å; L204-P214 WeakPolarHBondContact O-CD 3.34Å; L204-P214 WeakPolarHBondContact O-CG 3.32Å; I206-P214 WeakPolarHBondContact O-CD 3.36Å; P214-A217 PolarHBondContact O-N 3.46Å; P214-A218 WeakPolarHBondContact O-CB 3.27Å; P214-A218 PolarHBondContact O-N 3.25Å; P214-L230 HydrophobicContact CB-CD1 3.83Å; P214-L230 HydrophobicContact CB-CD2 4.43Å
215	L	96.1	Very high	92.4	Very high	2 Å²	2	36 Å²	36	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-66.7	-37.1	175.9	-174.3	60.5	0	0	0	112.5	T213 C219 A227 L230 L231 P247	T213-L215 PolarHBondContact O-N 3.07Å; T213-L215 VanDerWaalsContact O-N 3.08Å; L215-C219 WeakPolarHBondContact O-CB 3.45Å; L215-C219 PolarHBondContact O-N 3.34Å; L215-C219 VanDerWaalsContact O-N 3.08Å; L215-C219 PolarHBondContact O-SG 3.18Å; L215-A227 HydrophobicContact CD1-CB 4.07Å; L215-L230 HydrophobicContact CB-CD1 4.09Å; L215-L230 HydrophobicContact CD1-CB 4.3Å; L215-L230 HydrophobicContact CD1-CD1 4.36Å; L215-L231 HydrophobicContact CD1-CD2 4.31Å; L215-L231 HydrophobicContact CD1-CG 4.08Å; L215-L231 HydrophobicContact CD2-CD2 3.83Å; L215-L231 HydrophobicContact CD2-CG 4.48Å; L215-P247 HydrophobicContact CB-CG 4.32Å; L215-P247 HydrophobicContact CD2-CB 4.27Å; L215-P247 HydrophobicContact CD2-CG 3.78Å; L215-P247 HydrophobicContact CG-CB 3.91Å; L215-P247 HydrophobicContact CG-CG 3.73Å
216	H	94.5	Very high	92.7	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.069	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-49.3	172.1	-72	82.1	0	0	0	110.8	A212 T213 A218 C219 A220 V239 W245 P247	A212-H216 HydrophobicContact CB-CB 4.15Å; T213-H216 PolarHBondContact N-ND1 2.88Å; T213-H216 WeakPolarHBondContact O-CA 3.25Å; T213-H216 VanDerWaalsContact O-CB 3.32Å; T213-H216 WeakPolarHBondContact O-CB 3.25Å; T213-H216 PolarHBondContact O-N 3.27Å; T213-H216 PolarHBondContact OG1-ND1 3.5Å; H216-A218 PolarHBondContact O-N 2.91Å; H216-C219 PolarHBondContact O-N 3.5Å; H216-A220 WeakPolarHBondContact O-CB 3.3Å; H216-A220 PolarHBondContact O-N 3.49Å; H216-V239 PolarHBondContact CE1-O 3.24Å; H216-V239 PolarHBondContact NE2-O 3.3Å; H216-W245 PolarHBondContact NE2-O 3.35Å; H216-W245 VanDerWaalsContact NE2-O 3.09Å; H216-P247 WeakPolarHBondContact NE2-CD 3.43Å
217	A	91.2	Very high	93	Very high	15 Å²	15	29.6 Å²	29.6	12%	0.124	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-43.8	179.9	0	0	0	0	0	111.9	M190 T213 P214 C219 A220 N221 V402	M190-A217 HydrophobicContact CE-CB 4.23Å; T213-A217 PolarHBondContact O-N 2.87Å; T213-A217 VanDerWaalsContact O-N 3.15Å; P214-A217 PolarHBondContact O-N 3.46Å; A217-C219 VanDerWaalsContact C-N 3.32Å; A217-C219 PolarHBondContact O-N 3.38Å; A217-A220 PolarHBondContact O-N 2.81Å; A217-N221 WeakPolarHBondContact O-CB 3.24Å; A217-N221 PolarHBondContact O-N 2.91Å; A217-N221 PolarHBondContact O-ND2 3.42Å; A217-V402 HydrophobicContact CB-CG2 3.72Å
218	A	94.4	Very high	93.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-42.3	177.6	0	0	0	0	0	111.7	M190 P214 H216 G222 Y223 V226 A227	M190-A218 HydrophobicContact CE-CB 4.44Å; P214-A218 WeakPolarHBondContact O-CB 3.27Å; P214-A218 PolarHBondContact O-N 3.25Å; H216-A218 PolarHBondContact O-N 2.91Å; A218-G222 PolarHBondContact O-N 3.45Å; A218-Y223 PolarHBondContact O-N 3.32Å; A218-V226 HydrophobicContact CB-CB 4.02Å; A218-V226 HydrophobicContact CB-CG1 3.86Å; A218-A227 HydrophobicContact CB-CB 4.14Å
219	C	94.2	Very high	93.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-70.8	-37.9	-179.3	-66	0	0	0	0	113	L215 H216 A217 P247 A251	L215-C219 WeakPolarHBondContact O-CB 3.45Å; L215-C219 PolarHBondContact O-N 3.34Å; L215-C219 VanDerWaalsContact O-N 3.08Å; L215-C219 PolarHBondContact O-SG 3.18Å; H216-C219 PolarHBondContact O-N 3.5Å; A217-C219 VanDerWaalsContact C-N 3.32Å; A217-C219 PolarHBondContact O-N 3.38Å; C219-P247 HydrophobicContact CB-CB 4.19Å; C219-P247 VanDerWaalsContact CB-O 3.25Å; C219-P247 WeakPolarHBondContact CB-O 3.45Å; C219-A251 HydrophobicContact CB-CB 4.18Å; C219-A251 WeakPolarHBondContact O-CA 3.42Å
220	A	91	Very high	93.9	Very high	11 Å²	11	17.3 Å²	17.3	9%	0.091	11%	0.107	C	C	.	.	H	α-helix	trans	-71.2	-33	177.4	0	0	0	0	0	112.9	H216 A217 W254	H216-A220 WeakPolarHBondContact O-CB 3.3Å; H216-A220 PolarHBondContact O-N 3.49Å; A217-A220 PolarHBondContact O-N 2.81Å; A220-W254 WeakPolarHBondContact O-CB 3.3Å
221	N	86.4	Confident	94.2	Very high	25 Å²	25	16.2 Å²	16.2	13%	0.134	9%	0.094	C	C	.	.	H	α-helix	trans	-91.2	-4	-178.4	-68.5	-65.5	0	0	0	114.4	A217 Y223 R405	A217-N221 WeakPolarHBondContact O-CB 3.24Å; A217-N221 PolarHBondContact O-N 2.91Å; A217-N221 PolarHBondContact O-ND2 3.42Å; N221-Y223 HydrophobicContact CB-CD1 4.11Å; N221-Y223 HydrophobicContact CB-CD2 4.01Å; N221-Y223 HydrophobicContact CB-CE1 3.92Å; N221-Y223 HydrophobicContact CB-CE2 3.8Å; N221-Y223 HydrophobicContact CB-CG 4.14Å; N221-R405 PolarHBondContact OD1-NH1 3.07Å
222	G	91.2	Very high	94.4	Very high	19 Å²	19	22.3 Å²	22.3	20%	0.196	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	14.6	-177.5	0	0	0	0	0	115.2	A218 Y224	A218-G222 PolarHBondContact O-N 3.45Å; G222-Y224 VanDerWaalsContact C-N 3.32Å; G222-Y224 PolarHBondContact O-N 3.38Å
223	Y	94	Very high	94.5	Very high	28 Å²	28	24 Å²	24	11%	0.11	13%	0.132	C	C	.	.			trans	-79.6	77.1	-176.5	-63.2	-15.6	0	0	0	111.8	N186 E187 M190 A218 N221 S225 V226 A227	N186-Y223 WeakPolarHBondContact CB-OH 3.36Å; E187-Y223 HydrophobicContact CB-CD1 3.6Å; E187-Y223 HydrophobicContact CB-CE1 3.97Å; E187-Y223 HydrophobicContact CB-CG 3.92Å; E187-Y223 HydrophobicContact CG-CD1 3.99Å; E187-Y223 HydrophobicContact CG-CG 3.97Å; M190-Y223 HydrophobicContact SD-CD2 3.73Å; M190-Y223 HydrophobicContact SD-CE2 4.14Å; A218-Y223 PolarHBondContact O-N 3.32Å; N221-Y223 HydrophobicContact CB-CD1 4.11Å; N221-Y223 HydrophobicContact CB-CD2 4.01Å; N221-Y223 HydrophobicContact CB-CE1 3.92Å; N221-Y223 HydrophobicContact CB-CE2 3.8Å; N221-Y223 HydrophobicContact CB-CG 4.14Å; Y223-S225 VanDerWaalsContact C-N 3.34Å; Y223-S225 PolarHBondContact O-N 3.33Å; Y223-V226 PolarHBondContact O-N 2.92Å; Y223-A227 PolarHBondContact O-N 2.99Å
224	Y	95.2	Very high	94.4	Very high	47 Å²	47	26.7 Å²	26.7	18%	0.184	16%	0.16	C	C	.	.	H	α-helix	trans	-54.9	-46.8	-176.9	-173.2	-85	0	0	0	112.7	E187 G222 V226 A227 E228 D258 L259 L262	E187-Y224 PolarHBondContact OE1-N 3.03Å; G222-Y224 VanDerWaalsContact C-N 3.32Å; G222-Y224 PolarHBondContact O-N 3.38Å; Y224-V226 VanDerWaalsContact C-N 3.31Å; Y224-V226 PolarHBondContact O-N 3.25Å; Y224-A227 PolarHBondContact O-N 2.8Å; Y224-E228 HydrophobicContact CE1-CB 4.34Å; Y224-E228 WeakPolarHBondContact O-CB 3.34Å; Y224-E228 PolarHBondContact O-N 3.22Å; Y224-D258 HydrophobicContact CD2-CB 4.01Å; Y224-D258 HydrophobicContact CE2-CB 4.1Å; Y224-L259 HydrophobicContact CD2-CG 4.46Å; Y224-L262 HydrophobicContact CD2-CD2 4.34Å; Y224-L262 HydrophobicContact CE2-CB 4.14Å; Y224-L262 HydrophobicContact CE2-CD2 4.03Å; Y224-L262 HydrophobicContact CE2-CG 4.49Å
225	S	96.2	Very high	94.4	Very high	47 Å²	47	26.2 Å²	26.2	33%	0.329	16%	0.157	S	C	.	.	H	α-helix	trans	-67.2	-35.5	-174.7	-40.6	0	0	0	0	111.5	E187 Y223 F229	E187-S225 WeakPolarHBondContact OE1-CA 3.28Å; E187-S225 WeakPolarHBondContact OE1-CB 3.27Å; E187-S225 PolarHBondContact OE1-N 3.37Å; E187-S225 PolarHBondContact OE1-OG 2.96Å; Y223-S225 VanDerWaalsContact C-N 3.34Å; Y223-S225 PolarHBondContact O-N 3.33Å; S225-F229 WeakPolarHBondContact O-CB 3.25Å; S225-F229 PolarHBondContact O-N 3.37Å
226	V	95.7	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.7	-45.5	175.5	-178.6	0	0	0	0	110.6	E187 M190 L191 M194 A218 Y223 Y224 F229 L230	E187-V226 HydrophobicContact CG-CG2 4Å; E187-V226 WeakPolarHBondContact O-CG2 3.35Å; M190-V226 HydrophobicContact CB-CG2 4.1Å; M190-V226 HydrophobicContact CE-CG1 3.83Å; M190-V226 HydrophobicContact CG-CG1 3.98Å; M190-V226 HydrophobicContact CG-CG2 4.17Å; M190-V226 HydrophobicContact SD-CG1 3.93Å; M190-V226 HydrophobicContact SD-CG2 4.41Å; L191-V226 HydrophobicContact CB-CG2 3.86Å; M194-V226 HydrophobicContact CG-CG1 4.22Å; A218-V226 HydrophobicContact CB-CB 4.02Å; A218-V226 HydrophobicContact CB-CG1 3.86Å; Y223-V226 PolarHBondContact O-N 2.92Å; Y224-V226 VanDerWaalsContact C-N 3.31Å; Y224-V226 PolarHBondContact O-N 3.25Å; V226-F229 PolarHBondContact O-N 3.38Å; V226-L230 HydrophobicContact CG1-CD1 3.91Å; V226-L230 HydrophobicContact CG1-CG 4.32Å; V226-L230 WeakPolarHBondContact O-CB 3.5Å; V226-L230 VanDerWaalsContact O-CG 3.25Å; V226-L230 WeakPolarHBondContact O-CG 3.32Å; V226-L230 PolarHBondContact O-N 3.4Å
227	A	96.9	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-43.2	177.7	0	0	0	0	0	111.9	L215 A218 Y223 Y224 L230 L231 L259 L262	L215-A227 HydrophobicContact CD1-CB 4.07Å; A218-A227 HydrophobicContact CB-CB 4.14Å; Y223-A227 PolarHBondContact O-N 2.99Å; Y224-A227 PolarHBondContact O-N 2.8Å; A227-L230 PolarHBondContact O-N 2.99Å; A227-L231 WeakPolarHBondContact O-CB 3.46Å; A227-L231 WeakPolarHBondContact O-CD1 3.31Å; A227-L231 WeakPolarHBondContact O-CG 3.49Å; A227-L231 PolarHBondContact O-N 3.22Å; A227-L259 HydrophobicContact CB-CD2 3.34Å; A227-L262 HydrophobicContact CB-CD2 4.14Å
228	E	97.6	Very high	94.5	Very high	47 Å²	47	34.5 Å²	34.5	22%	0.22	19%	0.188	C	C	.	.	H	α-helix	trans	-56.4	-51	174.5	-173.7	170.7	-129.9	0	0	110	Y224 L230 L231 E232 L262 R358	Y224-E228 HydrophobicContact CE1-CB 4.34Å; Y224-E228 WeakPolarHBondContact O-CB 3.34Å; Y224-E228 PolarHBondContact O-N 3.22Å; E228-L230 PolarHBondContact O-N 3.47Å; E228-L231 PolarHBondContact O-N 3.02Å; E228-E232 WeakPolarHBondContact O-CB 3.49Å; E228-E232 WeakPolarHBondContact O-CG 3.41Å; E228-E232 PolarHBondContact O-N 3.24Å; E228-L262 HydrophobicContact CB-CD2 4.16Å; E228-R358 IonicContact OE1-NH1 3.49Å; E228-R358 PolarHBondContact OE1-NH1 3.29Å; E228-R358 IonicContact OE2-NH1 3.53Å; E228-R358 PolarHBondContact OE2-NH1 3.05Å
229	F	97.5	Very high	94.5	Very high	34 Å²	34	34.7 Å²	34.7	15%	0.149	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-48.3	177.7	178.5	-100.6	0	0	0	113.3	L191 M194 Q195 H198 L204 S225 V226 L231 E232 C233	L191-F229 HydrophobicContact CD1-CB 3.63Å; L191-F229 HydrophobicContact CD1-CD1 4.22Å; L191-F229 HydrophobicContact CD1-CD2 4.44Å; L191-F229 HydrophobicContact CD1-CG 3.84Å; M194-F229 HydrophobicContact CB-CD1 3.92Å; M194-F229 HydrophobicContact CB-CE1 3.8Å; Q195-F229 HydrophobicContact CB-CZ 4.3Å; Q195-F229 HydrophobicContact CG-CD2 4.27Å; Q195-F229 HydrophobicContact CG-CE1 4.14Å; Q195-F229 HydrophobicContact CG-CE2 3.76Å; Q195-F229 HydrophobicContact CG-CZ 3.69Å; H198-F229 HydrophobicContact CB-CE1 4.35Å; H198-F229 HydrophobicContact CB-CZ 3.95Å; L204-F229 HydrophobicContact CD1-CE1 4.42Å; S225-F229 WeakPolarHBondContact O-CB 3.25Å; S225-F229 PolarHBondContact O-N 3.37Å; V226-F229 PolarHBondContact O-N 3.38Å; F229-L231 VanDerWaalsContact C-N 3.35Å; F229-L231 PolarHBondContact O-N 2.81Å; F229-E232 PolarHBondContact O-N 3.29Å; F229-C233 VanDerWaalsContact CZ-SG 3.54Å; F229-C233 PolarHBondContact O-N 2.88Å; F229-C233 PolarHBondContact O-SG 3.4Å; F229-C233 VanDerWaalsContact O-SG 3.36Å
230	L	96.5	Very high	94.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-43.4	-179.8	-71.2	171.8	0	0	0	111.7	M194 L204 P214 L215 V226 A227 E228 C233 G234 C235	M194-L230 HydrophobicContact CB-CD2 4.48Å; M194-L230 HydrophobicContact CG-CD2 4.08Å; M194-L230 HydrophobicContact SD-CD2 3.97Å; L204-L230 HydrophobicContact CB-CD2 3.99Å; L204-L230 HydrophobicContact CD1-CD2 4.14Å; L204-L230 HydrophobicContact CD2-CD2 4.42Å; L204-L230 HydrophobicContact CG-CD2 4.41Å; P214-L230 HydrophobicContact CB-CD1 3.83Å; P214-L230 HydrophobicContact CB-CD2 4.43Å; L215-L230 HydrophobicContact CB-CD1 4.09Å; L215-L230 HydrophobicContact CD1-CB 4.3Å; L215-L230 HydrophobicContact CD1-CD1 4.36Å; V226-L230 HydrophobicContact CG1-CD1 3.91Å; V226-L230 HydrophobicContact CG1-CG 4.32Å; V226-L230 WeakPolarHBondContact O-CB 3.5Å; V226-L230 VanDerWaalsContact O-CG 3.25Å; V226-L230 WeakPolarHBondContact O-CG 3.32Å; V226-L230 PolarHBondContact O-N 3.4Å; A227-L230 PolarHBondContact O-N 2.99Å; E228-L230 PolarHBondContact O-N 3.47Å; L230-C233 PolarHBondContact O-N 2.96Å; L230-G234 PolarHBondContact O-N 3.32Å; L230-C235 HydrophobicContact CB-CB 4.26Å; L230-C235 WeakPolarHBondContact O-CB 3.34Å; L230-C235 PolarHBondContact O-N 3.29Å; L230-C235 PolarHBondContact O-SG 3.26Å
231	L	96	Very high	94.6	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-67.3	-39.2	178.3	-69.4	168.8	0	0	0	111.9	L215 A227 E228 F229 C233 G234 V237 L262 L263 F266	L215-L231 HydrophobicContact CD1-CD2 4.31Å; L215-L231 HydrophobicContact CD1-CG 4.08Å; L215-L231 HydrophobicContact CD2-CD2 3.83Å; L215-L231 HydrophobicContact CD2-CG 4.48Å; A227-L231 WeakPolarHBondContact O-CB 3.46Å; A227-L231 WeakPolarHBondContact O-CD1 3.31Å; A227-L231 WeakPolarHBondContact O-CG 3.49Å; A227-L231 PolarHBondContact O-N 3.22Å; E228-L231 PolarHBondContact O-N 3.02Å; F229-L231 VanDerWaalsContact C-N 3.35Å; F229-L231 PolarHBondContact O-N 2.81Å; L231-C233 VanDerWaalsContact C-N 3.33Å; L231-G234 PolarHBondContact O-N 3.25Å; L231-V237 HydrophobicContact CD2-CB 4.16Å; L231-V237 HydrophobicContact CD2-CG2 4.1Å; L231-L262 HydrophobicContact CD1-CD2 4.06Å; L231-L262 HydrophobicContact CD1-CG 3.96Å; L231-L263 HydrophobicContact CD1-CD2 4.09Å; L231-L263 HydrophobicContact CD2-CD2 4.44Å; L231-F266 HydrophobicContact CB-CD1 3.75Å; L231-F266 HydrophobicContact CB-CD2 3.97Å; L231-F266 HydrophobicContact CB-CE1 3.71Å; L231-F266 HydrophobicContact CB-CE2 3.94Å; L231-F266 HydrophobicContact CB-CG 3.87Å; L231-F266 HydrophobicContact CB-CZ 3.8Å; L231-F266 HydrophobicContact CD1-CB 4.25Å; L231-F266 HydrophobicContact CD1-CD2 3.69Å; L231-F266 HydrophobicContact CD1-CE2 4.17Å; L231-F266 HydrophobicContact CD1-CG 3.97Å; L231-F266 HydrophobicContact CD2-CB 4.08Å; L231-F266 HydrophobicContact CD2-CD1 4.48Å; L231-F266 HydrophobicContact CD2-CG 4.2Å; L231-F266 HydrophobicContact CG-CD2 4.34Å; L231-F266 HydrophobicContact CG-CG 4.24Å
232	E	96.1	Very high	94.9	Very high	134 Å²	134	44.2 Å²	44.2	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-64.3	-36	173.7	-75.4	-176.2	163.6	0	0	112.6	E228 F229 G234 F266	E228-E232 WeakPolarHBondContact O-CB 3.49Å; E228-E232 WeakPolarHBondContact O-CG 3.41Å; E228-E232 PolarHBondContact O-N 3.24Å; F229-E232 PolarHBondContact O-N 3.29Å; E232-G234 PolarHBondContact O-N 3.47Å; E232-F266 HydrophobicContact CG-CZ 4.23Å
233	C	94.8	Very high	94.9	Very high	45 Å²	45	48 Å²	48	30%	0.304	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-4.7	172.3	-71	0	0	0	0	113.8	L204 F229 L230 L231	L204-C233 HydrophobicContact CD1-CB 3.57Å; F229-C233 VanDerWaalsContact CZ-SG 3.54Å; F229-C233 PolarHBondContact O-N 2.88Å; F229-C233 PolarHBondContact O-SG 3.4Å; F229-C233 VanDerWaalsContact O-SG 3.36Å; L230-C233 PolarHBondContact O-N 2.96Å; L231-C233 VanDerWaalsContact C-N 3.33Å
234	G	92.8	Very high	94.9	Very high	60 Å²	60	46.8 Å²	46.8	62%	0.619	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.1	17.4	176.8	0	0	0	0	0	115	L230 L231 E232	L230-G234 PolarHBondContact O-N 3.32Å; L231-G234 PolarHBondContact O-N 3.25Å; E232-G234 PolarHBondContact O-N 3.47Å
235	C	93.9	Very high	94.9	Very high	14 Å²	14	45.7 Å²	45.7	10%	0.095	24%	0.237	C	C	.	.			trans	-55.9	138.8	171.2	-75.3	0	0	0	0	110.9	L204 D205 L230 V237	L204-C235 VanDerWaalsContact CB-SG 3.54Å; D205-C235 WeakPolarHBondContact OD1-CB 3.43Å; D205-C235 PolarHBondContact OD1-SG 3.49Å; L230-C235 HydrophobicContact CB-CB 4.26Å; L230-C235 WeakPolarHBondContact O-CB 3.34Å; L230-C235 PolarHBondContact O-N 3.29Å; L230-C235 PolarHBondContact O-SG 3.26Å; C235-V237 PolarHBondContact O-N 2.98Å
236	W	94.1	Very high	94.9	Very high	143 Å²	143	43.9 Å²	43.9	54%	0.542	22%	0.223	S	C	.	.			trans	-71	124.5	-174.3	-168.1	61	0	0	0	111.2	H238 V239	W236-H238 VanDerWaalsContact C-N 3.32Å; W236-H238 HydrophobicContact CD2-CB 4.04Å; W236-H238 HydrophobicContact CE3-CB 4.13Å; W236-H238 HydrophobicContact CH2-CB 3.47Å; W236-H238 VanDerWaalsContact CH2-CB 3.47Å; W236-H238 WeakPolarHBondContact CH2-O 3.21Å; W236-H238 HydrophobicContact CZ2-CB 3.41Å; W236-H238 VanDerWaalsContact CZ2-CB 3.41Å; W236-H238 HydrophobicContact CZ3-CB 3.86Å; W236-H238 WeakPolarHBondContact CZ3-O 3.36Å; W236-H238 PolarHBondContact O-N 3.43Å; W236-V239 HydrophobicContact CB-CG2 3.91Å; W236-V239 HydrophobicContact CD2-CG2 4.34Å; W236-V239 HydrophobicContact CE3-CB 4.1Å; W236-V239 HydrophobicContact CE3-CG2 3.58Å; W236-V239 VanDerWaalsContact CZ3-CA 3.48Å; W236-V239 HydrophobicContact CZ3-CG2 4.49Å; W236-V239 VanDerWaalsContact CZ3-N 3.32Å; W236-V239 WeakPolarHBondContact O-CG2 2.92Å
237	V	95.3	Very high	94.9	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.8	-174.7	71	0	0	0	0	113.7	L231 C235 P247 L263 A268	L231-V237 HydrophobicContact CD2-CB 4.16Å; L231-V237 HydrophobicContact CD2-CG2 4.1Å; C235-V237 PolarHBondContact O-N 2.98Å; V237-P247 WeakPolarHBondContact O-CD 3.27Å; V237-L263 HydrophobicContact CG2-CD2 3.78Å; V237-A268 HydrophobicContact CG2-CB 3.72Å
238	H	95	Very high	94.8	Very high	51 Å²	51	44 Å²	44	24%	0.236	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	13.9	-173.7	-58.4	-68.9	0	0	0	113.8	W236 R240 Q246 G267	W236-H238 VanDerWaalsContact C-N 3.32Å; W236-H238 HydrophobicContact CD2-CB 4.04Å; W236-H238 HydrophobicContact CE3-CB 4.13Å; W236-H238 HydrophobicContact CH2-CB 3.47Å; W236-H238 VanDerWaalsContact CH2-CB 3.47Å; W236-H238 WeakPolarHBondContact CH2-O 3.21Å; W236-H238 HydrophobicContact CZ2-CB 3.41Å; W236-H238 VanDerWaalsContact CZ2-CB 3.41Å; W236-H238 HydrophobicContact CZ3-CB 3.86Å; W236-H238 WeakPolarHBondContact CZ3-O 3.36Å; W236-H238 PolarHBondContact O-N 3.43Å; H238-R240 PolarHBondContact O-N 2.98Å; H238-Q246 PolarHBondContact O-NE2 3.31Å; H238-G267 PolarHBondContact CE1-O 3.26Å; H238-G267 PolarHBondContact NE2-O 3.08Å
239	V	93.6	Very high	94.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.213	C	C	.	.			trans	-52.1	133.2	179.5	177.3	0	0	0	0	108.2	R207 T213 H216 W236 Q246 P247	R207-V239 VanDerWaalsContact NH2-CG1 3.32Å; T213-V239 HydrophobicContact CG2-CB 4.48Å; T213-V239 HydrophobicContact CG2-CG1 3.55Å; H216-V239 PolarHBondContact CE1-O 3.24Å; H216-V239 PolarHBondContact NE2-O 3.3Å; W236-V239 HydrophobicContact CB-CG2 3.91Å; W236-V239 HydrophobicContact CD2-CG2 4.34Å; W236-V239 HydrophobicContact CE3-CB 4.1Å; W236-V239 HydrophobicContact CE3-CG2 3.58Å; W236-V239 VanDerWaalsContact CZ3-CA 3.48Å; W236-V239 HydrophobicContact CZ3-CG2 4.49Å; W236-V239 VanDerWaalsContact CZ3-N 3.32Å; W236-V239 WeakPolarHBondContact O-CG2 2.92Å; V239-Q246 WeakPolarHBondContact O-CA 3.24Å; V239-P247 WeakPolarHBondContact O-CD 3.3Å
240	R	94.4	Very high	94.4	Very high	118 Å²	118	40.4 Å²	40.4	45%	0.445	21%	0.209	S	C	.	.			trans	-107.4	135.3	172.3	-66.4	-178	-178.6	-148.7	-4.2	110.9	R207 H238 W245 Q246	R207-R240 PolarHBondContact NH1-O 3.32Å; H238-R240 PolarHBondContact O-N 2.98Å; R240-W245 CarbonylContact C-O 3.46Å; R240-W245 WeakPolarHBondContact CA-O 3.44Å; R240-Q246 HydrophobicContact CG-CG 3.86Å
241	D	92.9	Very high	94.3	Very high	16 Å²	16	40.4 Å²	40.4	9%	0.086	21%	0.209	C	C	.	.			trans	-79.4	-171.1	164.9	73.4	2.2	0	0	0	111.3	G210 A212 D243 G244 W245	G210-D241 WeakPolarHBondContact O-CB 3.48Å; A212-D241 HydrophobicContact CB-CB 4.48Å; D241-D243 VanDerWaalsContact C-N 3.25Å; D241-D243 PolarHBondContact O-N 3.05Å; D241-D243 PolarHBondContact OD1-N 3.29Å; D241-G244 PolarHBondContact O-N 3.39Å; D241-G244 PolarHBondContact OD1-N 3.35Å; D241-W245 PolarHBondContact N-O 3.47Å; D241-W245 WeakPolarHBondContact OD1-CB 3.21Å; D241-W245 PolarHBondContact OD1-N 3.25Å; D241-W245 WeakPolarHBondContact OD2-CB 3.44Å
242	N	93.2	Very high	94.3	Very high	102 Å²	102	40 Å²	40	55%	0.545	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27	-178.3	-68.6	-16.2	0	0	0	113.2	K209 G210 G244 N275	K209-N242 PolarHBondContact O-ND2 3.35Å; G210-N242 VanDerWaalsContact C-ND2 3.29Å; G210-N242 WeakPolarHBondContact CA-ND2 3.27Å; G210-N242 VanDerWaalsContact O-CB 3.26Å; G210-N242 WeakPolarHBondContact O-CB 3.43Å; G210-N242 PolarHBondContact O-N 3.28Å; G210-N242 PolarHBondContact O-ND2 3.47Å; G210-N242 PolarHBondContact O-OD1 2.92Å; N242-G244 VanDerWaalsContact C-N 3.31Å; N242-N275 PolarHBondContact O-ND2 3.37Å
243	D	90.7	Very high	94.1	Very high	99 Å²	99	34.7 Å²	34.7	53%	0.529	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4.9	179.3	-61.5	-51.3	0	0	0	112.6	D241 W245 N275	D241-D243 VanDerWaalsContact C-N 3.25Å; D241-D243 PolarHBondContact O-N 3.05Å; D241-D243 PolarHBondContact OD1-N 3.29Å; D243-W245 PolarHBondContact O-N 2.98Å; D243-N275 WeakPolarHBondContact CA-ND2 3.38Å; D243-N275 VanDerWaalsContact O-CB 3.25Å; D243-N275 WeakPolarHBondContact O-CB 3.35Å; D243-N275 PolarHBondContact O-N 2.69Å; D243-N275 PolarHBondContact O-ND2 3.03Å
244	G	93.6	Very high	93.8	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.021	18%	0.181	C	C	.	.			trans	78	9.9	178.7	0	0	0	0	0	113.1	D241 N242 N275	D241-G244 PolarHBondContact O-N 3.39Å; D241-G244 PolarHBondContact OD1-N 3.35Å; N242-G244 VanDerWaalsContact C-N 3.31Å; G244-N275 PolarHBondContact N-ND2 2.96Å
245	W	95.2	Very high	93.7	Very high	23 Å²	23	34.3 Å²	34.3	9%	0.087	17%	0.166	C	C	.	.			trans	-68.4	139.6	174.9	-72.6	57.4	0	0	0	109.7	H216 R240 D241 D243 H249 C253 T274 L283 V409	H216-W245 PolarHBondContact NE2-O 3.35Å; H216-W245 VanDerWaalsContact NE2-O 3.09Å; R240-W245 CarbonylContact C-O 3.46Å; R240-W245 WeakPolarHBondContact CA-O 3.44Å; D241-W245 PolarHBondContact N-O 3.47Å; D241-W245 WeakPolarHBondContact OD1-CB 3.21Å; D241-W245 PolarHBondContact OD1-N 3.25Å; D241-W245 WeakPolarHBondContact OD2-CB 3.44Å; D243-W245 PolarHBondContact O-N 2.98Å; W245-H249 HydrophobicContact CB-CB 4.4Å; W245-H249 HydrophobicContact CD2-CB 3.92Å; W245-H249 HydrophobicContact CE3-CB 3.42Å; W245-H249 VanDerWaalsContact CE3-CB 3.42Å; W245-H249 HydrophobicContact CG-CB 4.37Å; W245-H249 HydrophobicContact CZ3-CB 3.95Å; W245-C253 HydrophobicContact CH2-CB 3.89Å; W245-C253 HydrophobicContact CZ3-CB 3.81Å; W245-T274 HydrophobicContact CD2-CG2 4.34Å; W245-T274 HydrophobicContact CG-CG2 4.09Å; W245-L283 HydrophobicContact CH2-CD1 3.78Å; W245-L283 HydrophobicContact CH2-CD2 4.33Å; W245-L283 HydrophobicContact CZ2-CD1 4.05Å; W245-L283 HydrophobicContact CZ2-CD2 4.3Å; W245-L283 HydrophobicContact CZ3-CD1 4.07Å; W245-V409 HydrophobicContact CZ2-CG1 4.27Å
246	Q	96.4	Very high	93.7	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.042	18%	0.175	C	C	.	.			trans	-106.4	161.2	167.1	-63.6	-171.2	-18.1	0	0	108.8	H238 V239 R240 I248 H249	H238-Q246 PolarHBondContact O-NE2 3.31Å; V239-Q246 WeakPolarHBondContact O-CA 3.24Å; R240-Q246 HydrophobicContact CG-CG 3.86Å; Q246-I248 HydrophobicContact CB-CG2 4.14Å; Q246-I248 PolarHBondContact O-N 2.94Å; Q246-H249 WeakPolarHBondContact CB-ND1 3.48Å; Q246-H249 PolarHBondContact N-ND1 2.98Å; Q246-H249 WeakPolarHBondContact O-CB 3.31Å; Q246-H249 PolarHBondContact O-N 2.98Å; Q246-H249 PolarHBondContact O-ND1 3.37Å
247	P	95.8	Very high	93.7	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-51.8	-32.1	179.6	-28	35	0	0	0	114.2	L215 H216 C219 V237 V239 H249 G250 A251 L263	L215-P247 HydrophobicContact CB-CG 4.32Å; L215-P247 HydrophobicContact CD2-CB 4.27Å; L215-P247 HydrophobicContact CD2-CG 3.78Å; L215-P247 HydrophobicContact CG-CB 3.91Å; L215-P247 HydrophobicContact CG-CG 3.73Å; H216-P247 WeakPolarHBondContact NE2-CD 3.43Å; C219-P247 HydrophobicContact CB-CB 4.19Å; C219-P247 VanDerWaalsContact CB-O 3.25Å; C219-P247 WeakPolarHBondContact CB-O 3.45Å; V237-P247 WeakPolarHBondContact O-CD 3.27Å; V239-P247 WeakPolarHBondContact O-CD 3.3Å; P247-H249 VanDerWaalsContact C-N 3.34Å; P247-H249 PolarHBondContact O-N 3.28Å; P247-G250 PolarHBondContact O-N 2.85Å; P247-A251 PolarHBondContact O-N 3.34Å; P247-L263 HydrophobicContact CB-CD1 4.24Å; P247-L263 HydrophobicContact CB-CD2 4.06Å
248	I	96	Very high	93.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-66.6	-30.1	176.9	-166.8	164.4	0	0	0	113.8	Q246 A252 V260 L263 V264 A268 P280	Q246-I248 HydrophobicContact CB-CG2 4.14Å; Q246-I248 PolarHBondContact O-N 2.94Å; I248-A252 VanDerWaalsContact O-CB 3.27Å; I248-A252 WeakPolarHBondContact O-CB 3.5Å; I248-A252 PolarHBondContact O-N 3.35Å; I248-V260 HydrophobicContact CD1-CG1 4.44Å; I248-L263 VanDerWaalsContact CA-CD1 3.46Å; I248-L263 HydrophobicContact CB-CD1 3.87Å; I248-L263 HydrophobicContact CG1-CD1 4.32Å; I248-V264 HydrophobicContact CD1-CG2 3.82Å; I248-A268 HydrophobicContact CB-CB 4.4Å; I248-A268 HydrophobicContact CD1-CB 3.93Å; I248-P280 HydrophobicContact CG1-CB 4.44Å; I248-P280 HydrophobicContact CG1-CG 4.23Å; I248-P280 HydrophobicContact CG2-CG 3.94Å
249	H	95.1	Very high	93.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-41.8	174.3	-60.1	91.9	0	0	0	110.1	W245 Q246 P247 A252 C253 A272 L283	W245-H249 HydrophobicContact CB-CB 4.4Å; W245-H249 HydrophobicContact CD2-CB 3.92Å; W245-H249 HydrophobicContact CE3-CB 3.42Å; W245-H249 VanDerWaalsContact CE3-CB 3.42Å; W245-H249 HydrophobicContact CG-CB 4.37Å; W245-H249 HydrophobicContact CZ3-CB 3.95Å; Q246-H249 WeakPolarHBondContact CB-ND1 3.48Å; Q246-H249 PolarHBondContact N-ND1 2.98Å; Q246-H249 WeakPolarHBondContact O-CB 3.31Å; Q246-H249 PolarHBondContact O-N 2.98Å; Q246-H249 PolarHBondContact O-ND1 3.37Å; P247-H249 VanDerWaalsContact C-N 3.34Å; P247-H249 PolarHBondContact O-N 3.28Å; H249-A252 PolarHBondContact O-N 3.5Å; H249-C253 WeakPolarHBondContact O-CB 3.48Å; H249-C253 PolarHBondContact O-N 2.86Å; H249-A272 PolarHBondContact NE2-O 2.76Å; H249-L283 HydrophobicContact CB-CD1 3.81Å
250	G	91.9	Very high	93.8	Very high	7 Å²	7	31.1 Å²	31.1	7%	0.072	16%	0.159	C	C	.	.	H	α-helix	trans	-60.2	-49.2	173.3	0	0	0	0	0	112.2	P247 A252 C253 W254	P247-G250 PolarHBondContact O-N 2.85Å; G250-A252 VanDerWaalsContact C-N 3.3Å; G250-A252 PolarHBondContact O-N 3.1Å; G250-C253 PolarHBondContact O-N 3.44Å; G250-W254 VanDerWaalsContact O-CD1 3.23Å; G250-W254 PolarHBondContact O-N 3.07Å; G250-W254 VanDerWaalsContact O-N 3.1Å
251	A	94.5	Very high	93.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.5	-40	177.2	0	0	0	0	0	112.5	C219 P247 A255 Q256 L259 V260 L263	C219-A251 HydrophobicContact CB-CB 4.18Å; C219-A251 WeakPolarHBondContact O-CA 3.42Å; P247-A251 PolarHBondContact O-N 3.34Å; A251-A255 PolarHBondContact O-N 3.42Å; A251-Q256 HydrophobicContact CB-CB 4.23Å; A251-Q256 WeakPolarHBondContact O-CA 3.34Å; A251-Q256 WeakPolarHBondContact O-CB 3.16Å; A251-Q256 PolarHBondContact O-N 3.48Å; A251-L259 HydrophobicContact CB-CB 3.82Å; A251-V260 HydrophobicContact CB-CG2 3.83Å; A251-L263 HydrophobicContact CB-CD1 4.06Å
252	A	94.4	Very high	94.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-73.5	-42.7	-179.5	0	0	0	0	0	113.3	I248 H249 G250 W254 A255 V260 P280 C284 I293	I248-A252 VanDerWaalsContact O-CB 3.27Å; I248-A252 WeakPolarHBondContact O-CB 3.5Å; I248-A252 PolarHBondContact O-N 3.35Å; H249-A252 PolarHBondContact O-N 3.5Å; G250-A252 VanDerWaalsContact C-N 3.3Å; G250-A252 PolarHBondContact O-N 3.1Å; A252-W254 VanDerWaalsContact C-N 3.35Å; A252-W254 PolarHBondContact O-N 3.39Å; A252-A255 PolarHBondContact O-N 2.97Å; A252-V260 HydrophobicContact CB-CG2 4.34Å; A252-P280 HydrophobicContact CB-CB 3.68Å; A252-P280 WeakPolarHBondContact CB-O 3.21Å; A252-C284 PolarHBondContact O-SG 3.44Å; A252-I293 HydrophobicContact CB-CD1 3.82Å
253	C	92.4	Very high	94.2	Very high	21 Å²	21	21.7 Å²	21.7	14%	0.142	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-41.3	179	-171.8	0	0	0	0	111.8	W245 H249 G250 A255 L283	W245-C253 HydrophobicContact CH2-CB 3.89Å; W245-C253 HydrophobicContact CZ3-CB 3.81Å; H249-C253 WeakPolarHBondContact O-CB 3.48Å; H249-C253 PolarHBondContact O-N 2.86Å; G250-C253 PolarHBondContact O-N 3.44Å; C253-A255 VanDerWaalsContact C-N 3.33Å; C253-A255 PolarHBondContact O-N 3.19Å; C253-L283 HydrophobicContact CB-CB 4.18Å
254	W	88.2	Confident	94.4	Very high	60 Å²	60	18 Å²	18	23%	0.227	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	23	-176.8	-61.4	107.7	0	0	0	113.7	A220 G250 A252 Q256 R405 V409	A220-W254 WeakPolarHBondContact O-CB 3.3Å; G250-W254 VanDerWaalsContact O-CD1 3.23Å; G250-W254 PolarHBondContact O-N 3.07Å; G250-W254 VanDerWaalsContact O-N 3.1Å; A252-W254 VanDerWaalsContact C-N 3.35Å; A252-W254 PolarHBondContact O-N 3.39Å; W254-Q256 HydrophobicContact CB-CG 4.42Å; W254-Q256 WeakPolarHBondContact O-CG 3.45Å; W254-Q256 PolarHBondContact O-N 2.91Å; W254-Q256 PolarHBondContact O-NE2 3.49Å; W254-R405 HydrophobicContact CH2-CB 4.2Å; W254-R405 HydrophobicContact CH2-CG 4.12Å; W254-R405 HydrophobicContact CZ2-CB 3.8Å; W254-R405 HydrophobicContact CZ2-CG 4.15Å; W254-R405 VanDerWaalsContact CZ2-O 3.24Å; W254-R405 WeakPolarHBondContact CZ2-O 3.17Å; W254-V409 HydrophobicContact CZ2-CG2 4.37Å
255	A	92.1	Very high	94.4	Very high	38 Å²	38	22.3 Å²	22.3	31%	0.314	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	48.4	174.6	0	0	0	0	0	114.9	A251 A252 C253 P257 D286 T289	A251-A255 PolarHBondContact O-N 3.42Å; A252-A255 PolarHBondContact O-N 2.97Å; C253-A255 VanDerWaalsContact C-N 3.33Å; C253-A255 PolarHBondContact O-N 3.19Å; A255-P257 VanDerWaalsContact C-CD 3.43Å; A255-P257 WeakPolarHBondContact O-CD 3.42Å; A255-D286 HydrophobicContact CB-CB 3.61Å; A255-T289 VanDerWaalsContact CA-OG1 3.25Å; A255-T289 WeakPolarHBondContact CA-OG1 3.37Å
256	Q	93.6	Very high	94.4	Very high	59 Å²	59	25.3 Å²	25.3	28%	0.276	13%	0.131	S	C	.	.			trans	-107.7	74.9	-180	-54.4	-57.6	-46	0	0	111.6	A251 W254 D258 L259 V260	A251-Q256 HydrophobicContact CB-CB 4.23Å; A251-Q256 WeakPolarHBondContact O-CA 3.34Å; A251-Q256 WeakPolarHBondContact O-CB 3.16Å; A251-Q256 PolarHBondContact O-N 3.48Å; W254-Q256 HydrophobicContact CB-CG 4.42Å; W254-Q256 WeakPolarHBondContact O-CG 3.45Å; W254-Q256 PolarHBondContact O-N 2.91Å; W254-Q256 PolarHBondContact O-NE2 3.49Å; Q256-D258 VanDerWaalsContact C-N 3.31Å; Q256-D258 PolarHBondContact O-N 3.36Å; Q256-L259 HydrophobicContact CB-CB 3.99Å; Q256-L259 HydrophobicContact CB-CD1 3.78Å; Q256-L259 HydrophobicContact CB-CG 4.42Å; Q256-L259 HydrophobicContact CG-CD1 4.11Å; Q256-L259 PolarHBondContact O-N 3.49Å; Q256-V260 PolarHBondContact O-N 3.07Å; Q256-V260 VanDerWaalsContact O-N 3.1Å
257	P	93.7	Very high	94.2	Very high	27 Å²	27	26.9 Å²	26.9	18%	0.175	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-39.3	-174.3	22.7	-32.9	0	0	0	113	A255 L259 V260 E261 V292	A255-P257 VanDerWaalsContact C-CD 3.43Å; A255-P257 WeakPolarHBondContact O-CD 3.42Å; P257-L259 VanDerWaalsContact C-N 3.29Å; P257-L259 PolarHBondContact O-N 3.01Å; P257-V260 WeakPolarHBondContact O-CB 3.32Å; P257-V260 PolarHBondContact O-N 3.37Å; P257-E261 PolarHBondContact O-N 3.47Å; P257-V292 HydrophobicContact CB-CB 4.23Å; P257-V292 HydrophobicContact CB-CG1 4.37Å; P257-V292 HydrophobicContact CB-CG2 3.83Å
258	D	94.6	Very high	94.2	Very high	68 Å²	68	27 Å²	27	36%	0.364	15%	0.151	S	C	.	.	H	α-helix	trans	-63.6	-36.7	-178.8	-65.2	6.1	0	0	0	111.9	Y224 Q256 L262 T351	Y224-D258 HydrophobicContact CD2-CB 4.01Å; Y224-D258 HydrophobicContact CE2-CB 4.1Å; Q256-D258 VanDerWaalsContact C-N 3.31Å; Q256-D258 PolarHBondContact O-N 3.36Å; D258-L262 WeakPolarHBondContact O-CB 3.46Å; D258-L262 PolarHBondContact O-N 3.03Å; D258-T351 VanDerWaalsContact CG-CG2 3.47Å; D258-T351 WeakPolarHBondContact OD1-CG2 3.46Å
259	L	96.1	Very high	94.1	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-74.2	-35.7	176.1	-81.1	160.4	0	0	0	111.7	Y224 A227 A251 Q256 P257 E261 L262 L263	Y224-L259 HydrophobicContact CD2-CG 4.46Å; A227-L259 HydrophobicContact CB-CD2 3.34Å; A251-L259 HydrophobicContact CB-CB 3.82Å; Q256-L259 HydrophobicContact CB-CB 3.99Å; Q256-L259 HydrophobicContact CB-CD1 3.78Å; Q256-L259 HydrophobicContact CB-CG 4.42Å; Q256-L259 HydrophobicContact CG-CD1 4.11Å; Q256-L259 PolarHBondContact O-N 3.49Å; P257-L259 VanDerWaalsContact C-N 3.29Å; P257-L259 PolarHBondContact O-N 3.01Å; L259-E261 VanDerWaalsContact C-N 3.35Å; L259-L262 HydrophobicContact CD2-CD2 4.22Å; L259-L262 PolarHBondContact O-N 3.02Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 WeakPolarHBondContact O-CD1 3.12Å; L259-L263 WeakPolarHBondContact O-CG 3.38Å; L259-L263 PolarHBondContact O-N 3.38Å
260	V	95.9	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.4	-47.9	171.1	173.6	0	0	0	0	110.2	I248 A251 A252 Q256 P257 L263 V264 T289 I293 L296	I248-V260 HydrophobicContact CD1-CG1 4.44Å; A251-V260 HydrophobicContact CB-CG2 3.83Å; A252-V260 HydrophobicContact CB-CG2 4.34Å; Q256-V260 PolarHBondContact O-N 3.07Å; Q256-V260 VanDerWaalsContact O-N 3.1Å; P257-V260 WeakPolarHBondContact O-CB 3.32Å; P257-V260 PolarHBondContact O-N 3.37Å; V260-L263 PolarHBondContact O-N 2.96Å; V260-V264 VanDerWaalsContact O-CG2 3.3Å; V260-V264 WeakPolarHBondContact O-CG2 3.37Å; V260-V264 PolarHBondContact O-N 3.05Å; V260-T289 HydrophobicContact CG2-CG2 4.35Å; V260-I293 HydrophobicContact CG1-CG1 3.82Å; V260-L296 HydrophobicContact CG1-CD1 3.98Å
261	E	95.3	Very high	94.2	Very high	34 Å²	34	32.9 Å²	32.9	16%	0.159	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-47.9	175.9	-73	-176.1	-174.5	0	0	111.8	P257 L259 V264 Q265 V292 L296	P257-E261 PolarHBondContact O-N 3.47Å; L259-E261 VanDerWaalsContact C-N 3.35Å; E261-V264 PolarHBondContact O-N 3.18Å; E261-Q265 VanDerWaalsContact O-CG 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.44Å; E261-Q265 PolarHBondContact O-N 2.87Å; E261-V292 HydrophobicContact CG-CG1 3.73Å; E261-L296 HydrophobicContact CG-CD1 4.13Å
262	L	96.5	Very high	94.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-50.5	178.7	-178.2	67.5	0	0	0	111.4	Y224 A227 E228 L231 D258 L259 V264 Q265 F266	Y224-L262 HydrophobicContact CD2-CD2 4.34Å; Y224-L262 HydrophobicContact CE2-CB 4.14Å; Y224-L262 HydrophobicContact CE2-CD2 4.03Å; Y224-L262 HydrophobicContact CE2-CG 4.49Å; A227-L262 HydrophobicContact CB-CD2 4.14Å; E228-L262 HydrophobicContact CB-CD2 4.16Å; L231-L262 HydrophobicContact CD1-CD2 4.06Å; L231-L262 HydrophobicContact CD1-CG 3.96Å; D258-L262 WeakPolarHBondContact O-CB 3.46Å; D258-L262 PolarHBondContact O-N 3.03Å; L259-L262 HydrophobicContact CD2-CD2 4.22Å; L259-L262 PolarHBondContact O-N 3.02Å; L262-V264 VanDerWaalsContact C-N 3.34Å; L262-V264 PolarHBondContact O-N 2.73Å; L262-Q265 WeakPolarHBondContact O-CB 3.25Å; L262-Q265 PolarHBondContact O-N 3.42Å; L262-Q265 VanDerWaalsContact O-N 3.09Å; L262-F266 HydrophobicContact CD1-CD2 4.07Å; L262-F266 HydrophobicContact CD1-CE2 3.76Å; L262-F266 HydrophobicContact CG-CD2 4.36Å; L262-F266 HydrophobicContact CG-CE2 4.44Å; L262-F266 WeakPolarHBondContact O-CD2 3.32Å; L262-F266 PolarHBondContact O-N 3.45Å; L262-F266 VanDerWaalsContact O-N 3.11Å
263	L	96.4	Very high	94.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-42.7	-179.5	-72.7	167.8	0	0	0	111.8	L231 V237 P247 I248 A251 L259 V260 Q265 F266 G267 A268	L231-L263 HydrophobicContact CD1-CD2 4.09Å; L231-L263 HydrophobicContact CD2-CD2 4.44Å; V237-L263 HydrophobicContact CG2-CD2 3.78Å; P247-L263 HydrophobicContact CB-CD1 4.24Å; P247-L263 HydrophobicContact CB-CD2 4.06Å; I248-L263 VanDerWaalsContact CA-CD1 3.46Å; I248-L263 HydrophobicContact CB-CD1 3.87Å; I248-L263 HydrophobicContact CG1-CD1 4.32Å; A251-L263 HydrophobicContact CB-CD1 4.06Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 WeakPolarHBondContact O-CD1 3.12Å; L259-L263 WeakPolarHBondContact O-CG 3.38Å; L259-L263 PolarHBondContact O-N 3.38Å; V260-L263 PolarHBondContact O-N 2.96Å; L263-Q265 VanDerWaalsContact C-N 3.29Å; L263-Q265 PolarHBondContact O-N 2.78Å; L263-F266 CarbonylContact O-C 3.41Å; L263-F266 PolarHBondContact O-N 3.11Å; L263-F266 VanDerWaalsContact O-N 3.14Å; L263-G267 PolarHBondContact O-N 3.09Å; L263-G267 VanDerWaalsContact O-N 3.13Å; L263-A268 VanDerWaalsContact C-CB 3.46Å; L263-A268 HydrophobicContact CB-CB 3.78Å; L263-A268 WeakPolarHBondContact O-CB 3.47Å; L263-A268 PolarHBondContact O-N 2.95Å
264	V	95.1	Very high	94.4	Very high	22 Å²	22	40 Å²	40	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-34.6	176.5	172.1	0	0	0	0	111.4	I248 V260 E261 L262 F266 G267 I270 L296 M300	I248-V264 HydrophobicContact CD1-CG2 3.82Å; V260-V264 VanDerWaalsContact O-CG2 3.3Å; V260-V264 WeakPolarHBondContact O-CG2 3.37Å; V260-V264 PolarHBondContact O-N 3.05Å; E261-V264 PolarHBondContact O-N 3.18Å; L262-V264 VanDerWaalsContact C-N 3.34Å; L262-V264 PolarHBondContact O-N 2.73Å; V264-F266 VanDerWaalsContact C-N 3.31Å; V264-F266 PolarHBondContact O-N 3.33Å; V264-G267 PolarHBondContact O-N 2.88Å; V264-G267 VanDerWaalsContact O-N 3.07Å; V264-I270 HydrophobicContact CG2-CB 4.32Å; V264-I270 HydrophobicContact CG2-CD1 4.28Å; V264-L296 HydrophobicContact CB-CD1 4.45Å; V264-L296 HydrophobicContact CG2-CD1 4.21Å; V264-M300 HydrophobicContact CG1-SD 4.13Å
265	Q	93.2	Very high	94.7	Very high	93 Å²	93	42.5 Å²	42.5	44%	0.435	22%	0.224	S	C	.	.	H	α-helix	trans	-63.3	-36.7	173.1	-69.8	172.3	34.7	0	0	112.4	E261 L262 L263 G267	E261-Q265 VanDerWaalsContact O-CG 3.27Å; E261-Q265 WeakPolarHBondContact O-CG 3.44Å; E261-Q265 PolarHBondContact O-N 2.87Å; L262-Q265 WeakPolarHBondContact O-CB 3.25Å; L262-Q265 PolarHBondContact O-N 3.42Å; L262-Q265 VanDerWaalsContact O-N 3.09Å; L263-Q265 VanDerWaalsContact C-N 3.29Å; L263-Q265 PolarHBondContact O-N 2.78Å; Q265-G267 PolarHBondContact O-N 3.44Å
266	F	95.5	Very high	94.7	Very high	85 Å²	85	44.6 Å²	44.6	37%	0.373	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	7.2	173.1	-78.9	-91.2	0	0	0	113.9	L231 E232 L262 L263 V264	L231-F266 HydrophobicContact CB-CD1 3.75Å; L231-F266 HydrophobicContact CB-CD2 3.97Å; L231-F266 HydrophobicContact CB-CE1 3.71Å; L231-F266 HydrophobicContact CB-CE2 3.94Å; L231-F266 HydrophobicContact CB-CG 3.87Å; L231-F266 HydrophobicContact CB-CZ 3.8Å; L231-F266 HydrophobicContact CD1-CB 4.25Å; L231-F266 HydrophobicContact CD1-CD2 3.69Å; L231-F266 HydrophobicContact CD1-CE2 4.17Å; L231-F266 HydrophobicContact CD1-CG 3.97Å; L231-F266 HydrophobicContact CD2-CB 4.08Å; L231-F266 HydrophobicContact CD2-CD1 4.48Å; L231-F266 HydrophobicContact CD2-CG 4.2Å; L231-F266 HydrophobicContact CG-CD2 4.34Å; L231-F266 HydrophobicContact CG-CG 4.24Å; E232-F266 HydrophobicContact CG-CZ 4.23Å; L262-F266 HydrophobicContact CD1-CD2 4.07Å; L262-F266 HydrophobicContact CD1-CE2 3.76Å; L262-F266 HydrophobicContact CG-CD2 4.36Å; L262-F266 HydrophobicContact CG-CE2 4.44Å; L262-F266 WeakPolarHBondContact O-CD2 3.32Å; L262-F266 PolarHBondContact O-N 3.45Å; L262-F266 VanDerWaalsContact O-N 3.11Å; L263-F266 CarbonylContact O-C 3.41Å; L263-F266 PolarHBondContact O-N 3.11Å; L263-F266 VanDerWaalsContact O-N 3.14Å; V264-F266 VanDerWaalsContact C-N 3.31Å; V264-F266 PolarHBondContact O-N 3.33Å
267	G	92.8	Very high	94.7	Very high	43 Å²	43	43.4 Å²	43.4	44%	0.443	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	96	12.1	170.6	0	0	0	0	0	115.7	H238 L263 V264 Q265	H238-G267 PolarHBondContact CE1-O 3.26Å; H238-G267 PolarHBondContact NE2-O 3.08Å; L263-G267 PolarHBondContact O-N 3.09Å; L263-G267 VanDerWaalsContact O-N 3.13Å; V264-G267 PolarHBondContact O-N 2.88Å; V264-G267 VanDerWaalsContact O-N 3.07Å; Q265-G267 PolarHBondContact O-N 3.44Å
268	A	95.2	Very high	94.8	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	25%	0.25	C	C	.	.			trans	-54.6	143	174.2	0	0	0	0	0	112.2	V237 I248 L263 I270	V237-A268 HydrophobicContact CG2-CB 3.72Å; I248-A268 HydrophobicContact CB-CB 4.4Å; I248-A268 HydrophobicContact CD1-CB 3.93Å; L263-A268 VanDerWaalsContact C-CB 3.46Å; L263-A268 HydrophobicContact CB-CB 3.78Å; L263-A268 WeakPolarHBondContact O-CB 3.47Å; L263-A268 PolarHBondContact O-N 2.95Å; A268-I270 PolarHBondContact O-N 3.46Å
269	D	94.6	Very high	94.9	Very high	66 Å²	66	43.5 Å²	43.5	35%	0.353	24%	0.237	S	C	.	.			trans	-84.2	107.5	174.9	-175.5	8.4	0	0	0	109.8	N271 A272	D269-N271 PolarHBondContact O-N 2.86Å; D269-N271 VanDerWaalsContact O-N 3.13Å; D269-N271 PolarHBondContact OD1-N 3.15Å; D269-A272 HydrophobicContact CB-CB 4.23Å; D269-A272 VanDerWaalsContact O-CB 3.27Å; D269-A272 WeakPolarHBondContact O-CB 3.2Å; D269-A272 PolarHBondContact O-N 3.34Å
270	I	93.7	Very high	94.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.1	178.3	-162.2	163	0	0	0	113.7	V264 A268 I293 L296 Q297 M300	V264-I270 HydrophobicContact CG2-CB 4.32Å; V264-I270 HydrophobicContact CG2-CD1 4.28Å; A268-I270 PolarHBondContact O-N 3.46Å; I270-I293 HydrophobicContact CD1-CB 4.44Å; I270-I293 HydrophobicContact CD1-CG2 3.95Å; I270-I293 WeakPolarHBondContact CD1-O 3.49Å; I270-I293 HydrophobicContact CG1-CG2 3.92Å; I270-L296 HydrophobicContact CD1-CB 3.47Å; I270-L296 VanDerWaalsContact CD1-CB 3.47Å; I270-L296 HydrophobicContact CD1-CD1 4.17Å; I270-L296 HydrophobicContact CD1-CG 4.49Å; I270-Q297 HydrophobicContact CD1-CG 3.94Å; I270-Q297 HydrophobicContact CG1-CG 4.17Å; I270-Q297 HydrophobicContact CG2-CG 3.91Å; I270-M300 HydrophobicContact CB-SD 4.32Å; I270-M300 HydrophobicContact CG2-SD 3.65Å
271	N	94.9	Very high	94.7	Very high	65 Å²	65	44.8 Å²	44.8	35%	0.348	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	20.5	177	-45.8	-74.1	0	0	0	112	D269 Q297	D269-N271 PolarHBondContact O-N 2.86Å; D269-N271 VanDerWaalsContact O-N 3.13Å; D269-N271 PolarHBondContact OD1-N 3.15Å; N271-Q297 PolarHBondContact OD1-NE2 3.27Å
272	A	95.2	Very high	94.7	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.033	26%	0.261	C	S	.	.			trans	-54.8	152.6	171.4	0	0	0	0	0	110	H249 D269 T279 P280	H249-A272 PolarHBondContact NE2-O 2.76Å; D269-A272 HydrophobicContact CB-CB 4.23Å; D269-A272 VanDerWaalsContact O-CB 3.27Å; D269-A272 WeakPolarHBondContact O-CB 3.2Å; D269-A272 PolarHBondContact O-N 3.34Å; A272-T279 WeakPolarHBondContact O-CA 3.09Å; A272-P280 VanDerWaalsContact O-CD 3.27Å; A272-P280 WeakPolarHBondContact O-CD 3.19Å
273	R	96	Very high	94.4	Very high	159 Å²	159	48.5 Å²	48.5	60%	0.6	27%	0.265	S	S	*	.			trans	-123.1	135.5	178.6	-68	-177.8	178.7	-173	-5	110.1	E278 T279	R273-E278 WeakPolarHBondContact CA-O 3.41Å; R273-T279 HydrophobicContact CG-CG2 3.94Å
274	T	94.2	Very high	94.1	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.049	27%	0.267	C	S	.	.			trans	-66.4	177.4	166.3	61.3	0	0	0	0	111.1	W245 S276 G277 E278 L283	W245-T274 HydrophobicContact CD2-CG2 4.34Å; W245-T274 HydrophobicContact CG-CG2 4.09Å; T274-S276 PolarHBondContact O-N 3.48Å; T274-S276 PolarHBondContact OG1-N 2.79Å; T274-S276 PolarHBondContact OG1-OG 3.43Å; T274-G277 PolarHBondContact O-N 2.99Å; T274-G277 PolarHBondContact OG1-N 3.37Å; T274-E278 PolarHBondContact N-O 3.4Å; T274-E278 PolarHBondContact OG1-N 3.48Å; T274-E278 VanDerWaalsContact OG1-N 3.11Å; T274-E278 PolarHBondContact OG1-O 2.93Å; T274-L283 HydrophobicContact CG2-CD1 4.44Å
275	N	93.7	Very high	93.5	Very high	111 Å²	111	55.4 Å²	55.4	59%	0.594	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.5	173.2	-68.1	-13.6	0	0	0	112.9	N242 D243 G244 G277	N242-N275 PolarHBondContact O-ND2 3.37Å; D243-N275 WeakPolarHBondContact CA-ND2 3.38Å; D243-N275 VanDerWaalsContact O-CB 3.25Å; D243-N275 WeakPolarHBondContact O-CB 3.35Å; D243-N275 PolarHBondContact O-N 2.69Å; D243-N275 PolarHBondContact O-ND2 3.03Å; G244-N275 PolarHBondContact N-ND2 2.96Å; N275-G277 PolarHBondContact O-N 2.93Å
276	S	92.8	Very high	93.3	Very high	82 Å²	82	53.7 Å²	53.7	57%	0.573	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.6	171.6	51.1	0	0	0	0	113	T274 E278	T274-S276 PolarHBondContact O-N 3.48Å; T274-S276 PolarHBondContact OG1-N 2.79Å; T274-S276 PolarHBondContact OG1-OG 3.43Å; S276-E278 PolarHBondContact OG-OE2 3.08Å
277	G	94.2	Very high	93.2	Very high	34 Å²	34	55 Å²	55	35%	0.351	30%	0.298	S	S	.	.			trans	88.1	8	-179.3	0	0	0	0	0	114.5	T274 N275	T274-G277 PolarHBondContact O-N 2.99Å; T274-G277 PolarHBondContact OG1-N 3.37Å; N275-G277 PolarHBondContact O-N 2.93Å
278	E	94.5	Very high	93.1	Very high	80 Å²	80	55.5 Å²	55.5	37%	0.374	29%	0.292	S	S	.	.			trans	-79.5	136.2	-179.3	-64.9	169	133.3	0	0	110.6	R273 T274 S276 D282 L283	R273-E278 WeakPolarHBondContact CA-O 3.41Å; T274-E278 PolarHBondContact N-O 3.4Å; T274-E278 PolarHBondContact OG1-N 3.48Å; T274-E278 VanDerWaalsContact OG1-N 3.11Å; T274-E278 PolarHBondContact OG1-O 2.93Å; S276-E278 PolarHBondContact OG-OE2 3.08Å; E278-D282 HydrophobicContact CB-CB 4.32Å; E278-L283 HydrophobicContact CB-CD2 4.07Å; E278-L283 HydrophobicContact CB-CG 4.28Å
279	T	96.2	Very high	92.9	Very high	17 Å²	17	55.3 Å²	55.3	10%	0.104	29%	0.291	C	S	.	.			trans	-91.8	163.1	173.5	66.8	0	0	0	0	111.1	A272 R273 L281 D282 L283	A272-T279 WeakPolarHBondContact O-CA 3.09Å; R273-T279 HydrophobicContact CG-CG2 3.94Å; T279-L281 PolarHBondContact O-N 2.94Å; T279-L281 VanDerWaalsContact O-N 3.09Å; T279-D282 WeakPolarHBondContact CB-OD2 3.16Å; T279-D282 PolarHBondContact N-OD2 2.83Å; T279-D282 WeakPolarHBondContact O-CB 3.44Å; T279-D282 PolarHBondContact O-N 3.35Å; T279-D282 VanDerWaalsContact OG1-CG 3.23Å; T279-D282 PolarHBondContact OG1-N 3.31Å; T279-D282 PolarHBondContact OG1-OD2 2.87Å; T279-L283 PolarHBondContact O-N 2.9Å
280	P	93.9	Very high	92.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-50.5	-35.4	172.4	-30	36.4	0	0	0	113.4	I248 A252 A272 L283 C284 I293	I248-P280 HydrophobicContact CG1-CB 4.44Å; I248-P280 HydrophobicContact CG1-CG 4.23Å; I248-P280 HydrophobicContact CG2-CG 3.94Å; A252-P280 HydrophobicContact CB-CB 3.68Å; A252-P280 WeakPolarHBondContact CB-O 3.21Å; A272-P280 VanDerWaalsContact O-CD 3.27Å; A272-P280 WeakPolarHBondContact O-CD 3.19Å; P280-L283 PolarHBondContact O-N 3.36Å; P280-C284 PolarHBondContact O-N 3.37Å; P280-C284 PolarHBondContact O-SG 3.36Å; P280-C284 VanDerWaalsContact O-SG 3.32Å; P280-I293 HydrophobicContact CB-CD1 4.2Å
281	L	95.4	Very high	92.9	Very high	30 Å²	30	59.3 Å²	59.3	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-67.7	-32.9	176.9	-176	61.7	0	0	0	113.3	T279 L283 R290 I293 L294	T279-L281 PolarHBondContact O-N 2.94Å; T279-L281 VanDerWaalsContact O-N 3.09Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-R290 HydrophobicContact CD1-CG 3.95Å; L281-R290 PolarHBondContact O-NH2 3.37Å; L281-I293 HydrophobicContact CB-CG2 3.95Å; L281-I293 HydrophobicContact CD1-CB 4.28Å; L281-I293 HydrophobicContact CD1-CG2 3.93Å; L281-I293 HydrophobicContact CG-CG2 4.43Å; L281-L294 HydrophobicContact CD1-CD2 4.13Å; L281-L294 HydrophobicContact CD1-CG 4.09Å; L281-L294 HydrophobicContact CD2-CD2 3.82Å
282	D	94.3	Very high	92.9	Very high	96 Å²	96	57.3 Å²	57.3	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-72.7	-31.1	-179.8	-58.6	-46.5	0	0	0	111.2	E278 T279	E278-D282 HydrophobicContact CB-CB 4.32Å; T279-D282 WeakPolarHBondContact CB-OD2 3.16Å; T279-D282 PolarHBondContact N-OD2 2.83Å; T279-D282 WeakPolarHBondContact O-CB 3.44Å; T279-D282 PolarHBondContact O-N 3.35Å; T279-D282 VanDerWaalsContact OG1-CG 3.23Å; T279-D282 PolarHBondContact OG1-N 3.31Å; T279-D282 PolarHBondContact OG1-OD2 2.87Å
283	L	90.7	Very high	92.8	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-81.6	-12.3	-179.5	-61.5	172.9	0	0	0	114	W245 H249 C253 T274 E278 T279 P280 L281 E285	W245-L283 HydrophobicContact CH2-CD1 3.78Å; W245-L283 HydrophobicContact CH2-CD2 4.33Å; W245-L283 HydrophobicContact CZ2-CD1 4.05Å; W245-L283 HydrophobicContact CZ2-CD2 4.3Å; W245-L283 HydrophobicContact CZ3-CD1 4.07Å; H249-L283 HydrophobicContact CB-CD1 3.81Å; C253-L283 HydrophobicContact CB-CB 4.18Å; T274-L283 HydrophobicContact CG2-CD1 4.44Å; E278-L283 HydrophobicContact CB-CD2 4.07Å; E278-L283 HydrophobicContact CB-CG 4.28Å; T279-L283 PolarHBondContact O-N 2.9Å; P280-L283 PolarHBondContact O-N 3.36Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L283-E285 PolarHBondContact O-N 2.98Å
284	C	89.8	Confident	92.7	Very high	7 Å²	7	52.9 Å²	52.9	5%	0.047	28%	0.283	C	S	.	.			trans	-73.5	120.8	-179	-74	0	0	0	0	112.4	A252 P280 R290 I293	A252-C284 PolarHBondContact O-SG 3.44Å; P280-C284 PolarHBondContact O-N 3.37Å; P280-C284 PolarHBondContact O-SG 3.36Å; P280-C284 VanDerWaalsContact O-SG 3.32Å; C284-R290 HydrophobicContact CB-CB 4.29Å; C284-R290 PolarHBondContact O-NH1 2.88Å; C284-I293 WeakPolarHBondContact SG-CD1 3.4Å
285	E	83.5	Confident	92.8	Very high	160 Å²	160	56.1 Å²	56.1	75%	0.748	30%	0.304	S	S	*	.			trans	-85.8	-37.2	166.7	-60.2	-169.8	168.6	0	0	112.1	L283	L283-E285 PolarHBondContact O-N 2.98Å
286	D	88.5	Confident	92.7	Very high	57 Å²	57	52 Å²	52	31%	0.305	28%	0.281	S	S	.	.	S	Bend	trans	-82.7	139.7	-175.4	173.6	63.1	0	0	0	113.6	A255 T288 T289 R290	A255-D286 HydrophobicContact CB-CB 3.61Å; D286-T288 WeakPolarHBondContact OD2-CA 3.48Å; D286-T288 VanDerWaalsContact OD2-CB 3.26Å; D286-T288 WeakPolarHBondContact OD2-CB 3.33Å; D286-T288 PolarHBondContact OD2-N 2.97Å; D286-T288 PolarHBondContact OD2-OG1 3.19Å; D286-T289 PolarHBondContact OD2-N 2.99Å; D286-T289 PolarHBondContact OD2-OG1 3.16Å; D286-R290 WeakPolarHBondContact O-CB 3.33Å; D286-R290 PolarHBondContact O-N 3.26Å; D286-R290 VanDerWaalsContact O-N 3.12Å
287	E	92.4	Very high	92.7	Very high	114 Å²	114	50.1 Å²	50.1	53%	0.533	26%	0.264	S	S	.	.	H	α-helix	trans	-70.8	-32.9	-178	-176	58	-150.1	0	0	112	N291	E287-N291 WeakPolarHBondContact O-CB 3.35Å; E287-N291 PolarHBondContact O-N 3.1Å; E287-N291 PolarHBondContact O-ND2 2.9Å; E287-N291 PolarHBondContact OE1-ND2 3.41Å
288	T	91.7	Very high	92.6	Very high	52 Å²	52	53.4 Å²	53.4	32%	0.319	28%	0.277	S	S	.	.	H	α-helix	trans	-69.4	-45.5	-179.3	79.6	0	0	0	0	110.9	D286 N291 V292	D286-T288 WeakPolarHBondContact OD2-CA 3.48Å; D286-T288 VanDerWaalsContact OD2-CB 3.26Å; D286-T288 WeakPolarHBondContact OD2-CB 3.33Å; D286-T288 PolarHBondContact OD2-N 2.97Å; D286-T288 PolarHBondContact OD2-OG1 3.19Å; T288-N291 PolarHBondContact O-N 3.23Å; T288-V292 WeakPolarHBondContact O-CG2 3.43Å; T288-V292 PolarHBondContact O-N 3.2Å
289	T	91	Very high	92.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-41.9	178.3	-53.6	0	0	0	0	111.2	A255 V260 D286 N291 V292 I293	A255-T289 VanDerWaalsContact CA-OG1 3.25Å; A255-T289 WeakPolarHBondContact CA-OG1 3.37Å; V260-T289 HydrophobicContact CG2-CG2 4.35Å; D286-T289 PolarHBondContact OD2-N 2.99Å; D286-T289 PolarHBondContact OD2-OG1 3.16Å; T289-N291 VanDerWaalsContact C-N 3.35Å; T289-N291 PolarHBondContact O-N 3.32Å; T289-V292 PolarHBondContact O-N 3.24Å; T289-I293 HydrophobicContact CG2-CD1 4.35Å; T289-I293 WeakPolarHBondContact O-CG1 3.24Å; T289-I293 PolarHBondContact O-N 2.89Å
290	R	94	Very high	92	Very high	78 Å²	78	54.6 Å²	54.6	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-55.2	-48.5	171.9	172.1	174	-104.6	91.8	6.5	111.5	L281 C284 D286 V292 I293 L294	L281-R290 HydrophobicContact CD1-CG 3.95Å; L281-R290 PolarHBondContact O-NH2 3.37Å; C284-R290 HydrophobicContact CB-CB 4.29Å; C284-R290 PolarHBondContact O-NH1 2.88Å; D286-R290 WeakPolarHBondContact O-CB 3.33Å; D286-R290 PolarHBondContact O-N 3.26Å; D286-R290 VanDerWaalsContact O-N 3.12Å; R290-V292 PolarHBondContact O-N 3.49Å; R290-I293 PolarHBondContact O-N 3.24Å; R290-L294 HydrophobicContact CG-CD1 4.02Å; R290-L294 WeakPolarHBondContact O-CG 3.44Å; R290-L294 PolarHBondContact O-N 3.16Å
291	N	94.6	Very high	91.6	Very high	72 Å²	72	60 Å²	60	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-41.6	178.9	-79.7	-53	0	0	0	112.3	E287 T288 T289 I293 L294 T295	E287-N291 WeakPolarHBondContact O-CB 3.35Å; E287-N291 PolarHBondContact O-N 3.1Å; E287-N291 PolarHBondContact O-ND2 2.9Å; E287-N291 PolarHBondContact OE1-ND2 3.41Å; T288-N291 PolarHBondContact O-N 3.23Å; T289-N291 VanDerWaalsContact C-N 3.35Å; T289-N291 PolarHBondContact O-N 3.32Å; N291-I293 PolarHBondContact O-N 2.98Å; N291-L294 PolarHBondContact O-N 3.45Å; N291-T295 VanDerWaalsContact O-CG2 3.32Å; N291-T295 WeakPolarHBondContact O-CG2 3.34Å; N291-T295 PolarHBondContact O-N 3.05Å; N291-T295 PolarHBondContact O-OG1 3.44Å
292	V	93.5	Very high	91.2	Very high	24 Å²	24	65.1 Å²	65.1	15%	0.145	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-47	175	170.1	0	0	0	0	110.8	P257 E261 T288 T289 R290 L294 T295 L296	P257-V292 HydrophobicContact CB-CB 4.23Å; P257-V292 HydrophobicContact CB-CG1 4.37Å; P257-V292 HydrophobicContact CB-CG2 3.83Å; E261-V292 HydrophobicContact CG-CG1 3.73Å; T288-V292 WeakPolarHBondContact O-CG2 3.43Å; T288-V292 PolarHBondContact O-N 3.2Å; T289-V292 PolarHBondContact O-N 3.24Å; R290-V292 PolarHBondContact O-N 3.49Å; V292-L294 PolarHBondContact O-N 3.5Å; V292-T295 PolarHBondContact O-N 3.5Å; V292-T295 PolarHBondContact O-OG1 3.36Å; V292-L296 HydrophobicContact CG1-CD1 3.88Å; V292-L296 HydrophobicContact CG1-CG 4.4Å; V292-L296 WeakPolarHBondContact O-CB 3.39Å; V292-L296 VanDerWaalsContact O-CG 3.31Å; V292-L296 WeakPolarHBondContact O-CG 3.47Å; V292-L296 PolarHBondContact O-N 3.29Å
293	I	94	Very high	90.7	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-45.6	178.2	-69	172.5	0	0	0	111.5	A252 V260 I270 P280 L281 C284 T289 R290 N291 L296 Q297	A252-I293 HydrophobicContact CB-CD1 3.82Å; V260-I293 HydrophobicContact CG1-CG1 3.82Å; I270-I293 HydrophobicContact CD1-CB 4.44Å; I270-I293 HydrophobicContact CD1-CG2 3.95Å; I270-I293 WeakPolarHBondContact CD1-O 3.49Å; I270-I293 HydrophobicContact CG1-CG2 3.92Å; P280-I293 HydrophobicContact CB-CD1 4.2Å; L281-I293 HydrophobicContact CB-CG2 3.95Å; L281-I293 HydrophobicContact CD1-CB 4.28Å; L281-I293 HydrophobicContact CD1-CG2 3.93Å; L281-I293 HydrophobicContact CG-CG2 4.43Å; C284-I293 WeakPolarHBondContact SG-CD1 3.4Å; T289-I293 HydrophobicContact CG2-CD1 4.35Å; T289-I293 WeakPolarHBondContact O-CG1 3.24Å; T289-I293 PolarHBondContact O-N 2.89Å; R290-I293 PolarHBondContact O-N 3.24Å; N291-I293 PolarHBondContact O-N 2.98Å; I293-L296 PolarHBondContact O-N 2.89Å; I293-Q297 HydrophobicContact CG2-CG 4.45Å; I293-Q297 WeakPolarHBondContact O-CB 3.26Å; I293-Q297 WeakPolarHBondContact O-CG 3.42Å; I293-Q297 PolarHBondContact O-N 3.49Å
294	L	94.7	Very high	90.3	Very high	69 Å²	69	72.5 Å²	72.5	36%	0.361	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-43.6	178.4	-70.5	172.9	0	0	0	112.2	L281 R290 N291 V292 Q297 V298	L281-L294 HydrophobicContact CD1-CD2 4.13Å; L281-L294 HydrophobicContact CD1-CG 4.09Å; L281-L294 HydrophobicContact CD2-CD2 3.82Å; R290-L294 HydrophobicContact CG-CD1 4.02Å; R290-L294 WeakPolarHBondContact O-CG 3.44Å; R290-L294 PolarHBondContact O-N 3.16Å; N291-L294 PolarHBondContact O-N 3.45Å; V292-L294 PolarHBondContact O-N 3.5Å; L294-Q297 PolarHBondContact O-N 2.9Å; L294-V298 WeakPolarHBondContact O-CG2 3.43Å; L294-V298 PolarHBondContact O-N 2.91Å
295	T	94.6	Very high	89.9	Confident	77 Å²	77	76.9 Å²	76.9	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-45.4	176.9	59.1	0	0	0	0	111.3	N291 V292 Q297 V298 E299	N291-T295 VanDerWaalsContact O-CG2 3.32Å; N291-T295 WeakPolarHBondContact O-CG2 3.34Å; N291-T295 PolarHBondContact O-N 3.05Å; N291-T295 PolarHBondContact O-OG1 3.44Å; V292-T295 PolarHBondContact O-N 3.5Å; V292-T295 PolarHBondContact O-OG1 3.36Å; T295-Q297 PolarHBondContact O-N 3.09Å; T295-V298 PolarHBondContact O-N 2.82Å; T295-E299 WeakPolarHBondContact O-CG 3.34Å; T295-E299 PolarHBondContact O-N 3.43Å
296	L	93	Very high	89.6	Confident	23 Å²	23	73 Å²	73	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-40.4	176.8	-70.7	173.8	0	0	0	112.1	V260 E261 V264 I270 V292 I293 V298 E299 M300	V260-L296 HydrophobicContact CG1-CD1 3.98Å; E261-L296 HydrophobicContact CG-CD1 4.13Å; V264-L296 HydrophobicContact CB-CD1 4.45Å; V264-L296 HydrophobicContact CG2-CD1 4.21Å; I270-L296 HydrophobicContact CD1-CB 3.47Å; I270-L296 VanDerWaalsContact CD1-CB 3.47Å; I270-L296 HydrophobicContact CD1-CD1 4.17Å; I270-L296 HydrophobicContact CD1-CG 4.49Å; V292-L296 HydrophobicContact CG1-CD1 3.88Å; V292-L296 HydrophobicContact CG1-CG 4.4Å; V292-L296 WeakPolarHBondContact O-CB 3.39Å; V292-L296 VanDerWaalsContact O-CG 3.31Å; V292-L296 WeakPolarHBondContact O-CG 3.47Å; V292-L296 PolarHBondContact O-N 3.29Å; I293-L296 PolarHBondContact O-N 2.89Å; L296-V298 PolarHBondContact O-N 2.84Å; L296-E299 PolarHBondContact O-N 3.09Å; L296-M300 WeakPolarHBondContact O-CB 3.45Å; L296-M300 VanDerWaalsContact O-CG 3.26Å; L296-M300 WeakPolarHBondContact O-CG 3.4Å; L296-M300 PolarHBondContact O-N 3.36Å
297	Q	93	Very high	88.8	Confident	44 Å²	44	73.7 Å²	73.7	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-46.2	174.8	-77.8	176.1	-21.9	0	0	111.7	I270 N271 I293 L294 T295 E299 M300 H301	I270-Q297 HydrophobicContact CD1-CG 3.94Å; I270-Q297 HydrophobicContact CG1-CG 4.17Å; I270-Q297 HydrophobicContact CG2-CG 3.91Å; N271-Q297 PolarHBondContact OD1-NE2 3.27Å; I293-Q297 HydrophobicContact CG2-CG 4.45Å; I293-Q297 WeakPolarHBondContact O-CB 3.26Å; I293-Q297 WeakPolarHBondContact O-CG 3.42Å; I293-Q297 PolarHBondContact O-N 3.49Å; L294-Q297 PolarHBondContact O-N 2.9Å; T295-Q297 PolarHBondContact O-N 3.09Å; Q297-E299 VanDerWaalsContact C-N 3.34Å; Q297-E299 PolarHBondContact O-N 3.07Å; Q297-M300 PolarHBondContact O-N 3.44Å; Q297-H301 WeakPolarHBondContact O-CB 3.26Å; Q297-H301 PolarHBondContact O-N 3.39Å
298	V	92.2	Very high	87.6	Confident	103 Å²	103	74.8 Å²	74.8	62%	0.624	36%	0.359	S	S	*	.	H	α-helix	trans	-62	-43.2	176.4	171.9	0	0	0	0	110.7	L294 T295 L296 H301 R302	L294-V298 WeakPolarHBondContact O-CG2 3.43Å; L294-V298 PolarHBondContact O-N 2.91Å; T295-V298 PolarHBondContact O-N 2.82Å; L296-V298 PolarHBondContact O-N 2.84Å; V298-H301 PolarHBondContact O-N 3.44Å; V298-R302 WeakPolarHBondContact O-CB 3.25Å; V298-R302 PolarHBondContact O-N 3.42Å
299	E	89.7	Confident	86.5	Confident	75 Å²	75	74 Å²	74	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-62.1	-45.8	176.5	-76.2	-159.4	-178	0	0	112.8	T295 L296 Q297 H301 R302 R303	T295-E299 WeakPolarHBondContact O-CG 3.34Å; T295-E299 PolarHBondContact O-N 3.43Å; L296-E299 PolarHBondContact O-N 3.09Å; Q297-E299 VanDerWaalsContact C-N 3.34Å; Q297-E299 PolarHBondContact O-N 3.07Å; E299-H301 VanDerWaalsContact C-N 3.33Å; E299-H301 PolarHBondContact O-N 2.84Å; E299-R302 PolarHBondContact O-N 3.13Å; E299-R303 WeakPolarHBondContact O-CB 3.46Å; E299-R303 VanDerWaalsContact O-CG 3.26Å; E299-R303 WeakPolarHBondContact O-CG 3.48Å; E299-R303 PolarHBondContact O-N 3.34Å; E299-R303 IonicContact OE2-CZ 2.62Å; E299-R303 IonicContact OE2-NE 3.23Å; E299-R303 IonicContact OE2-NH2 3.84Å; E299-R303 PolarHBondContact OE2-NH2 3.47Å
300	M	86.7	Confident	85	Confident	46 Å²	46	82.5 Å²	82.5	23%	0.227	39%	0.39	C	S	.	.	H	α-helix	trans	-62.8	-41.5	177.3	-72.7	-177.5	83.9	0	0	111.1	V264 I270 L296 Q297 R303 R304	V264-M300 HydrophobicContact CG1-SD 4.13Å; I270-M300 HydrophobicContact CB-SD 4.32Å; I270-M300 HydrophobicContact CG2-SD 3.65Å; L296-M300 WeakPolarHBondContact O-CB 3.45Å; L296-M300 VanDerWaalsContact O-CG 3.26Å; L296-M300 WeakPolarHBondContact O-CG 3.4Å; L296-M300 PolarHBondContact O-N 3.36Å; Q297-M300 PolarHBondContact O-N 3.44Å; M300-R303 PolarHBondContact O-N 3.33Å; M300-R304 WeakPolarHBondContact O-CG 3.38Å; M300-R304 PolarHBondContact O-N 2.89Å
301	H	85.9	Confident	83.3	Confident	114 Å²	114	83.1 Å²	83.1	53%	0.528	40%	0.399	S	S	.	.	H	α-helix	trans	-61.9	-46	175.4	-170.3	76.1	0	0	0	111.5	Q297 V298 E299 R303 R304 L305	Q297-H301 WeakPolarHBondContact O-CB 3.26Å; Q297-H301 PolarHBondContact O-N 3.39Å; V298-H301 PolarHBondContact O-N 3.44Å; E299-H301 VanDerWaalsContact C-N 3.33Å; E299-H301 PolarHBondContact O-N 2.84Å; H301-R303 PolarHBondContact O-N 2.98Å; H301-R304 PolarHBondContact O-N 3.25Å; H301-L305 WeakPolarHBondContact O-CG 3.18Å; H301-L305 PolarHBondContact O-N 3.38Å
302	R	87.1	Confident	81.6	Confident	137 Å²	137	83.1 Å²	83.1	52%	0.517	41%	0.405	S	S	.	.	H	α-helix	trans	-61.2	-42.4	175.7	-169.6	-176.1	69.4	85	-1	112	V298 E299 L305 L306	V298-R302 WeakPolarHBondContact O-CB 3.25Å; V298-R302 PolarHBondContact O-N 3.42Å; E299-R302 PolarHBondContact O-N 3.13Å; R302-L305 PolarHBondContact O-N 3.14Å; R302-L306 HydrophobicContact CG-CD1 4.39Å; R302-L306 WeakPolarHBondContact O-CG 3.32Å; R302-L306 PolarHBondContact O-N 2.9Å
303	R	84.9	Confident	80	Confident	144 Å²	144	89.5 Å²	89.5	54%	0.543	43%	0.426	S	S	.	.	H	α-helix	trans	-62.7	-44	176.9	-72.9	174.9	-163.5	-169.2	8.3	111.3	E299 M300 H301 L306 T307	E299-R303 WeakPolarHBondContact O-CB 3.46Å; E299-R303 VanDerWaalsContact O-CG 3.26Å; E299-R303 WeakPolarHBondContact O-CG 3.48Å; E299-R303 PolarHBondContact O-N 3.34Å; E299-R303 IonicContact OE2-CZ 2.62Å; E299-R303 IonicContact OE2-NE 3.23Å; E299-R303 IonicContact OE2-NH2 3.84Å; E299-R303 PolarHBondContact OE2-NH2 3.47Å; M300-R303 PolarHBondContact O-N 3.33Å; H301-R303 PolarHBondContact O-N 2.98Å; R303-L306 PolarHBondContact O-N 2.88Å; R303-T307 PolarHBondContact O-N 3.27Å
304	R	81.9	Confident	78.1	Confident	126 Å²	126	99.2 Å²	99.2	48%	0.475	46%	0.463	S	S	.	.	H	α-helix	trans	-59.4	-47	174.6	-72.3	174.8	-175.4	176.3	2.9	111.7	M300 H301 L306 T307 F308	M300-R304 WeakPolarHBondContact O-CG 3.38Å; M300-R304 PolarHBondContact O-N 2.89Å; H301-R304 PolarHBondContact O-N 3.25Å; R304-L306 VanDerWaalsContact C-N 3.28Å; R304-L306 PolarHBondContact O-N 2.81Å; R304-T307 PolarHBondContact O-N 3.06Å; R304-T307 PolarHBondContact O-OG1 2.99Å; R304-F308 HydrophobicContact CB-CE2 4.44Å; R304-F308 WeakPolarHBondContact O-CD2 3.49Å; R304-F308 PolarHBondContact O-N 3.22Å; R304-F308 VanDerWaalsContact O-N 3.14Å
305	L	80.1	Confident	76.1	Confident	99 Å²	99	103.9 Å²	103.9	52%	0.518	49%	0.485	S	S	.	.	H	α-helix	trans	-60.9	-37.8	177.4	-70.1	174.1	0	0	0	112.6	H301 R302 A309	H301-L305 WeakPolarHBondContact O-CG 3.18Å; H301-L305 PolarHBondContact O-N 3.38Å; R302-L305 PolarHBondContact O-N 3.14Å; L305-A309 WeakPolarHBondContact O-CB 3.2Å; L305-A309 PolarHBondContact O-N 3.45Å
306	L	77.9	Confident	74.1	Confident	79 Å²	79	108 Å²	108	41%	0.414	50%	0.497	S	S	.	.	H	α-helix	trans	-69.4	-35.6	178.1	-72.4	171.4	0	0	0	113.2	R302 R303 R304 A309 R310	R302-L306 HydrophobicContact CG-CD1 4.39Å; R302-L306 WeakPolarHBondContact O-CG 3.32Å; R302-L306 PolarHBondContact O-N 2.9Å; R303-L306 PolarHBondContact O-N 2.88Å; R304-L306 VanDerWaalsContact C-N 3.28Å; R304-L306 PolarHBondContact O-N 2.81Å; L306-A309 PolarHBondContact O-N 3.21Å; L306-R310 WeakPolarHBondContact O-CG 3.46Å; L306-R310 PolarHBondContact O-N 3.31Å
307	T	72.5	Confident	71.8	Confident	72 Å²	72	116.3 Å²	116.3	44%	0.442	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-45	174.4	54.9	0	0	0	0	110.7	R303 R304 A309 R310 D311	R303-T307 PolarHBondContact O-N 3.27Å; R304-T307 PolarHBondContact O-N 3.06Å; R304-T307 PolarHBondContact O-OG1 2.99Å; T307-A309 VanDerWaalsContact C-N 3.32Å; T307-A309 PolarHBondContact O-N 3.05Å; T307-R310 WeakPolarHBondContact O-CB 3.47Å; T307-R310 PolarHBondContact O-N 3.13Å; T307-D311 PolarHBondContact O-N 3.32Å
308	F	66.4	Low	69.4	Low	136 Å²	136	119.8 Å²	119.8	60%	0.596	56%	0.558	S	S	*	*	H	α-helix	trans	-60.8	-37.7	174.1	-71.6	-65.1	0	0	0	113.2	R304 R310 D311 S312	R304-F308 HydrophobicContact CB-CE2 4.44Å; R304-F308 WeakPolarHBondContact O-CD2 3.49Å; R304-F308 PolarHBondContact O-N 3.22Å; R304-F308 VanDerWaalsContact O-N 3.14Å; F308-R310 VanDerWaalsContact C-N 3.34Å; F308-D311 PolarHBondContact O-N 3.36Å; F308-S312 WeakPolarHBondContact O-CB 3.46Å; F308-S312 PolarHBondContact O-N 2.84Å; F308-S312 PolarHBondContact O-OG 2.76Å
309	A	68.6	Low	66.6	Low	36 Å²	36	121.1 Å²	121.1	30%	0.298	57%	0.57	S	S	.	*	H	α-helix	trans	-68.9	-30.6	175.3	0	0	0	0	0	112.8	L305 L306 T307 R313	L305-A309 WeakPolarHBondContact O-CB 3.2Å; L305-A309 PolarHBondContact O-N 3.45Å; L306-A309 PolarHBondContact O-N 3.21Å; T307-A309 VanDerWaalsContact C-N 3.32Å; T307-A309 PolarHBondContact O-N 3.05Å; A309-R313 WeakPolarHBondContact O-CB 3.2Å; A309-R313 WeakPolarHBondContact O-CG 3.33Å; A309-R313 PolarHBondContact O-N 3.28Å; A309-R313 PolarHBondContact O-NE 3.01Å
310	R	59.1	Low	64.6	Low	178 Å²	178	122.9 Å²	122.9	67%	0.672	59%	0.591	S	S	*	*	H	α-helix	trans	-70.1	-44.4	172.8	-79	180	175.5	169.4	-0.4	111.1	L306 T307 F308 S312 R313 R314	L306-R310 WeakPolarHBondContact O-CG 3.46Å; L306-R310 PolarHBondContact O-N 3.31Å; T307-R310 WeakPolarHBondContact O-CB 3.47Å; T307-R310 PolarHBondContact O-N 3.13Å; F308-R310 VanDerWaalsContact C-N 3.34Å; R310-S312 PolarHBondContact O-N 3.23Å; R310-R313 PolarHBondContact O-N 3.15Å; R310-R314 WeakPolarHBondContact O-CB 3.3Å; R310-R314 PolarHBondContact O-N 3.45Å
311	D	58.2	Low	62.3	Low	92 Å²	92	130.5 Å²	130.5	49%	0.492	62%	0.623	S	S	.	*	H	α-helix	trans	-65	-40.3	177.2	-73.9	-24.4	0	0	0	112.1	T307 F308 R313 R314 M315	T307-D311 PolarHBondContact O-N 3.32Å; F308-D311 PolarHBondContact O-N 3.36Å; D311-R313 VanDerWaalsContact C-N 3.32Å; D311-R313 PolarHBondContact O-N 2.91Å; D311-R314 PolarHBondContact O-N 3.37Å; D311-R314 VanDerWaalsContact O-N 3.16Å; D311-M315 WeakPolarHBondContact O-CG 3.45Å; D311-M315 PolarHBondContact O-N 3.01Å
312	S	60.4	Low	60	Low	72 Å²	72	134 Å²	134	50%	0.503	64%	0.637	S	S	.	*	H	α-helix	trans	-62	-37.7	175.1	-61.1	0	0	0	0	112.8	F308 R310 K316	F308-S312 WeakPolarHBondContact O-CB 3.46Å; F308-S312 PolarHBondContact O-N 2.84Å; F308-S312 PolarHBondContact O-OG 2.76Å; R310-S312 PolarHBondContact O-N 3.23Å; S312-K316 PolarHBondContact O-N 2.92Å
313	R	58.5	Low	57.7	Low	158 Å²	158	136.5 Å²	136.5	60%	0.596	65%	0.654	S	S	*	*	H	α-helix	trans	-73.3	-33.4	174.8	-77.6	179	-73.2	-148.3	0.7	112.3	A309 R310 D311 M315 K316	A309-R313 WeakPolarHBondContact O-CB 3.2Å; A309-R313 WeakPolarHBondContact O-CG 3.33Å; A309-R313 PolarHBondContact O-N 3.28Å; A309-R313 PolarHBondContact O-NE 3.01Å; R310-R313 PolarHBondContact O-N 3.15Å; D311-R313 VanDerWaalsContact C-N 3.32Å; D311-R313 PolarHBondContact O-N 2.91Å; R313-M315 VanDerWaalsContact C-N 3.29Å; R313-M315 PolarHBondContact O-N 3.31Å; R313-K316 CarbonylContact O-C 3.59Å; R313-K316 PolarHBondContact O-N 3.3Å
314	R	55.4	Low	55.7	Low	203 Å²	203	134.4 Å²	134.4	77%	0.766	66%	0.662	S	S	*	*	H	α-helix	trans	-66.6	-32.5	175.4	-162.6	175.7	-173.3	-165.9	1	112.1	R310 D311	R310-R314 WeakPolarHBondContact O-CB 3.3Å; R310-R314 PolarHBondContact O-N 3.45Å; D311-R314 PolarHBondContact O-N 3.37Å; D311-R314 VanDerWaalsContact O-N 3.16Å
315	M	51.5	Low	53.9	Low	167 Å²	167	134.4 Å²	134.4	82%	0.823	68%	0.678	S	S	*	*	H	α-helix	trans	-77	-24.7	174.5	-66.1	-60.2	-179.6	0	0	113.2	D311 R313 K317	D311-M315 WeakPolarHBondContact O-CG 3.45Å; D311-M315 PolarHBondContact O-N 3.01Å; R313-M315 VanDerWaalsContact C-N 3.29Å; R313-M315 PolarHBondContact O-N 3.31Å; M315-K317 PolarHBondContact O-N 3.49Å
316	K	53.6	Low	52.1	Low	165 Å²	165	134.1 Å²	134.1	72%	0.717	69%	0.69	S	S	*	*			trans	-92.9	69.6	171.4	-67.8	-177.3	-178.9	-178	0	110.4	S312 R313 P318	S312-K316 PolarHBondContact O-N 2.92Å; R313-K316 CarbonylContact O-C 3.59Å; R313-K316 PolarHBondContact O-N 3.3Å; K316-P318 WeakPolarHBondContact O-CD 3.29Å
317	K	43.7	Very low	50.3	Low	197 Å²	197	136.6 Å²	136.6	86%	0.857	71%	0.711	S	S	*	*			trans	-65.2	115.5	161.9	-93.9	-176	175.2	177.8	0	108.7	M315	M315-K317 PolarHBondContact O-N 3.49Å
318	P	43.5	Very low	48.8	Very low	117 Å²	117	140 Å²	140	76%	0.76	73%	0.731	S	S	*	*			trans	-91.9	122.7	167	9.6	12.8	0	0	0	108.2	K316 S320	K316-P318 WeakPolarHBondContact O-CD 3.29Å; P318-S320 PolarHBondContact O-N 2.92Å
319	C	32.6	Very low	47.3	Very low	131 Å²	131	137.5 Å²	137.5	89%	0.885	74%	0.736	S	S	*	*			trans	-62.5	110.1	158.5	-87.3	0	0	0	0	108.6
320	S	47.5	Very low	45.7	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	77%	0.765	S	S	*	*			trans	171.2	132	132	48.4	0	0	0	0	112.4	P318	P318-S320 PolarHBondContact O-N 2.92Å
321	K	40.3	Very low	44.4	Very low	206 Å²	206	144.3 Å²	144.3	90%	0.896	77%	0.772	S	S	*	*			trans	15.4	105.8	153	-102.7	170.3	171	174.9	0	118.9
322	F	36.5	Very low	43.4	Very low	188 Å²	188	146.4 Å²	146.4	83%	0.825	78%	0.782	S	S	*	*			trans	-11.6	117.8	136.2	-172.5	-100	0	0	0	117.1
323	E	39.2	Very low	42.1	Very low	188 Å²	188	152 Å²	152	88%	0.879	80%	0.797	S	S	*	*			trans	-155.8	128.3	141.9	-108.3	170.5	-162.8	0	0	107.2
324	S	41.5	Very low	41.1	Very low	100 Å²	100	147.9 Å²	147.9	70%	0.699	79%	0.793	S	S	*	*			trans	-124.2	144	174.3	-61	0	0	0	0	108.1
325	P	45.5	Very low	40.3	Very low	126 Å²	126	149.1 Å²	149.1	82%	0.818	80%	0.797	S	S	*	*			trans	-145.1	133.4	132.3	24	-3.1	0	0	0	115.8
326	A	42	Very low	39.3	Very low	94 Å²	94	153.2 Å²	153.2	78%	0.777	80%	0.804	S	S	*	*			trans	58	142.3	136.1	0	0	0	0	0	122.7
327	P	40.8	Very low	38.4	Very low	130 Å²	130	151.1 Å²	151.1	84%	0.844	81%	0.81	S	S	*	*			trans	-95.2	158.8	-171.2	39.2	-34	0	0	0	113.6
328	V	41	Very low	37.8	Very low	143 Å²	143	146.2 Å²	146.2	87%	0.867	81%	0.806	S	S	*	*			trans	-119.8	128	172.4	-171.4	0	0	0	0	109.6
329	A	34.6	Very low	37.2	Very low	85 Å²	85	146.7 Å²	146.7	70%	0.702	81%	0.806	S	S	*	*			trans	-62.9	159.9	179.9	0	0	0	0	0	114.5
330	R	33.9	Very low	37.1	Very low	241 Å²	241	151.2 Å²	151.2	91%	0.909	81%	0.805	S	S	*	*			trans	-171.3	121	130.9	-100	160.7	-161.7	-169.8	5.9	112.2
331	S	32.7	Very low	36.2	Very low	115 Å²	115	158.2 Å²	158.2	80%	0.804	81%	0.814	S	S	*	*			trans	-83.2	139.7	163.6	149.7	0	0	0	0	109.5
332	I	36.4	Very low	35.6	Very low	137 Å²	137	155 Å²	155	70%	0.703	80%	0.804	S	S	*	*			trans	-149.2	111.3	163.7	-71.7	-167.4	0	0	0	110.8
333	F	34.2	Very low	35.4	Very low	188 Å²	188	150.3 Å²	150.3	83%	0.825	79%	0.794	S	S	*	*			trans	64.3	155.2	140.6	-73.1	-110.7	0	0	0	121
334	S	35.9	Very low	35.3	Very low	73 Å²	73	145.4 Å²	145.4	51%	0.51	78%	0.777	S	S	.	*			cis	165.8	131.3	-19	164.2	0	0	0	0	107.8
335	R	38.9	Very low	35.2	Very low	228 Å²	228	149.2 Å²	149.2	86%	0.86	78%	0.776	S	S	*	*			trans	72.2	114	148.6	-71.2	172.1	-151.5	-153.5	2.6	122.2
336	R	31.7	Very low	34.8	Very low	254 Å²	254	147.9 Å²	147.9	96%	0.958	76%	0.762	S	S	*	*				28.7	119.8	121.3	-74.5	-176.7	177.6	-149.9	-1.9	118.9
337	S	34.1	Very low	34.4	Very low	121 Å²	121	151 Å²	151	85%	0.846	75%	0.754	S	S	*	*			trans	-144.6	138.8	142.5	-172.6	0	0	0	0	109.4
338	A	31	Very low	34.3	Very low	93 Å²	93	149.1 Å²	149.1	77%	0.769	74%	0.743	S	S	*	*			trans	-94.8	130.8	-177.8	0	0	0	0	0	110
339	V	31	Very low	34.3	Very low	127 Å²	127	145.4 Å²	145.4	77%	0.77	73%	0.733	S	S	*	*			trans	-147	118	168.5	-178.2	0	0	0	0	111.2
340	R	31	Very low	34.9	Very low	227 Å²	227	145.2 Å²	145.2	86%	0.857	72%	0.723	S	S	*	*			trans	28	130.1	147.4	-65.8	175.9	174.1	156.2	-2.9	120.6	M342	R340-M342 PolarHBondContact O-N 3.37Å
341	R	28.5	Very low	35.5	Very low	258 Å²	258	135 Å²	135	97%	0.974	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-52.7	119.9	163.7	-74.5	179.5	169.6	-179.7	-5.6	110.3
342	M	26.6	Very low	36.1	Very low	140 Å²	140	134.7 Å²	134.7	69%	0.69	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-101.8	151.5	167.8	-69.6	178.5	59.1	0	0	109.5	R340 D346	R340-M342 PolarHBondContact O-N 3.37Å; M342-D346 HydrophobicContact CE-CB 4.08Å; M342-D346 WeakPolarHBondContact CE-OD2 3.31Å
343	S	33.4	Very low	36.8	Very low	89 Å²	89	130.9 Å²	130.9	62%	0.622	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-54.6	147.1	178.5	173.1	0	0	0	0	112.2	R345 D346	S343-R345 PolarHBondContact O-N 2.91Å; S343-D346 PolarHBondContact O-N 2.66Å
344	V	37.5	Very low	37.7	Very low	84 Å²	84	128.8 Å²	128.8	51%	0.509	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-13.1	-171.2	-177.9	0	0	0	0	113.6
345	R	38.8	Very low	38.3	Very low	180 Å²	180	127 Å²	127	68%	0.679	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-14.4	176.7	-88.4	178.5	169.4	151.3	-1.2	115.2	D154 S343	D154-R345 IonicContact OD1-NH2 3.81Å; D154-R345 PolarHBondContact OD1-NH2 3.13Å; S343-R345 PolarHBondContact O-N 2.91Å
346	D	36.4	Very low	39.1	Very low	99 Å²	99	121 Å²	121	53%	0.529	62%	0.618	S	S	.	*			trans	-107.1	50.7	-176.1	-69.4	-31.1	0	0	0	113.9	M342 S343 C348	M342-D346 HydrophobicContact CE-CB 4.08Å; M342-D346 WeakPolarHBondContact CE-OD2 3.31Å; S343-D346 PolarHBondContact O-N 2.66Å; D346-C348 PolarHBondContact O-N 2.81Å
347	R	33.4	Very low	40.5	Very low	158 Å²	158	111.4 Å²	111.4	60%	0.596	59%	0.593	S	S	*	*			trans	-80.9	44	176.3	-113	-170.6	-77.9	-160.1	0.7	113.1	G349	R347-G349 PolarHBondContact O-N 3.11Å
348	C	39.7	Very low	41.6	Very low	92 Å²	92	111 Å²	111	62%	0.622	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	92.9	178.4	-48.9	0	0	0	0	110.1	D346	D346-C348 PolarHBondContact O-N 2.81Å
349	G	40.7	Very low	42.7	Very low	64 Å²	64	114.2 Å²	114.2	66%	0.66	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	142.6	0.1	171.8	0	0	0	0	0	116.9	R347	R347-G349 PolarHBondContact O-N 3.11Å
350	V	46.7	Very low	44	Very low	81 Å²	81	113.9 Å²	113.9	49%	0.491	56%	0.555	S	S	.	*			trans	-92.5	-9.5	-176.6	-176.1	0	0	0	0	112.6	A353 R354	V350-A353 PolarHBondContact O-N 2.62Å; V350-R354 HydrophobicContact CG1-CB 4.42Å; V350-R354 WeakPolarHBondContact O-CB 3.32Å; V350-R354 PolarHBondContact O-N 3.34Å
351	T	47.6	Very low	45.4	Very low	27 Å²	27	104.8 Å²	104.8	17%	0.166	53%	0.529	C	S	.	.	H	α-helix	trans	-69.7	-47	-167	52.7	0	0	0	0	113.6	D258 A353 R354 L355	D258-T351 VanDerWaalsContact CG-CG2 3.47Å; D258-T351 WeakPolarHBondContact OD1-CG2 3.46Å; T351-A353 VanDerWaalsContact C-N 3.35Å; T351-A353 PolarHBondContact O-N 3.04Å; T351-R354 PolarHBondContact O-N 2.85Å; T351-L355 WeakPolarHBondContact O-CB 3.47Å; T351-L355 PolarHBondContact O-N 2.63Å
352	L	45.6	Very low	46.7	Very low	109 Å²	109	95.2 Å²	95.2	57%	0.571	51%	0.505	S	S	*	.	H	α-helix	trans	-63.3	-42.1	177.2	-133	150.5	0	0	0	111.2	E356	L352-E356 HydrophobicContact CD2-CG 4.32Å; L352-E356 WeakPolarHBondContact CD2-OE1 3.45Å; L352-E356 VanDerWaalsContact O-CB 3.3Å; L352-E356 WeakPolarHBondContact O-CB 3.38Å; L352-E356 VanDerWaalsContact O-CG 3.26Å; L352-E356 WeakPolarHBondContact O-CG 3.33Å; L352-E356 PolarHBondContact O-N 2.72Å
353	A	50.6	Low	48.2	Very low	57 Å²	57	92.2 Å²	92.2	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-36.5	174.5	0	0	0	0	0	112.9	V350 T351 A357	V350-A353 PolarHBondContact O-N 2.62Å; T351-A353 VanDerWaalsContact C-N 3.35Å; T351-A353 PolarHBondContact O-N 3.04Å; A353-A357 WeakPolarHBondContact O-CB 3.41Å; A353-A357 PolarHBondContact O-N 3.25Å
354	R	53.2	Low	48.5	Very low	143 Å²	143	94.4 Å²	94.4	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-72.1	-38.5	178.3	-169.5	176.4	-175.6	175.1	-0.2	111.5	V350 T351 R358	V350-R354 HydrophobicContact CG1-CB 4.42Å; V350-R354 WeakPolarHBondContact O-CB 3.32Å; V350-R354 PolarHBondContact O-N 3.34Å; T351-R354 PolarHBondContact O-N 2.85Å; R354-R358 WeakPolarHBondContact O-CB 3.46Å; R354-R358 WeakPolarHBondContact O-CG 3.42Å; R354-R358 PolarHBondContact O-N 3.13Å
355	L	48.1	Very low	48.7	Very low	35 Å²	35	99 Å²	99	18%	0.183	51%	0.505	C	S	.	.	H	α-helix	trans	-69.7	-41.8	174.1	-109.5	117.6	0	0	0	111.8	T351 R358 R359	T351-L355 WeakPolarHBondContact O-CB 3.47Å; T351-L355 PolarHBondContact O-N 2.63Å; L355-R358 PolarHBondContact O-N 3.35Å; L355-R359 WeakPolarHBondContact O-CB 3.32Å; L355-R359 WeakPolarHBondContact O-CG 3.26Å; L355-R359 PolarHBondContact O-N 3.06Å
356	E	55.6	Low	48.9	Very low	103 Å²	103	94.3 Å²	94.3	48%	0.481	50%	0.5	S	S	.	.	H	α-helix	trans	-61.6	-47.9	172.3	-76.9	177.8	166.9	0	0	110.6	L352 R358 R359 E360	L352-E356 HydrophobicContact CD2-CG 4.32Å; L352-E356 WeakPolarHBondContact CD2-OE1 3.45Å; L352-E356 VanDerWaalsContact O-CB 3.3Å; L352-E356 WeakPolarHBondContact O-CB 3.38Å; L352-E356 VanDerWaalsContact O-CG 3.26Å; L352-E356 WeakPolarHBondContact O-CG 3.33Å; L352-E356 PolarHBondContact O-N 2.72Å; E356-R358 VanDerWaalsContact C-N 3.31Å; E356-R358 PolarHBondContact O-N 3.39Å; E356-R359 PolarHBondContact O-N 2.94Å; E356-E360 WeakPolarHBondContact O-CB 3.45Å; E356-E360 VanDerWaalsContact O-CG 3.28Å; E356-E360 WeakPolarHBondContact O-CG 3.33Å; E356-E360 PolarHBondContact O-N 3.02Å
357	A	62	Low	49.2	Very low	53 Å²	53	99.9 Å²	99.9	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-60.2	-37.5	175.9	0	0	0	0	0	112.8	A353 A361	A353-A357 WeakPolarHBondContact O-CB 3.41Å; A353-A357 PolarHBondContact O-N 3.25Å; A357-A361 WeakPolarHBondContact O-CB 3.27Å; A357-A361 PolarHBondContact O-N 2.88Å
358	R	55.7	Low	49.7	Very low	112 Å²	112	96.4 Å²	96.4	42%	0.423	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-45	174.3	-83.1	-178.6	164.1	-170.6	-4	111.9	E228 R354 L355 E356 A361 A362	E228-R358 IonicContact OE1-NH1 3.49Å; E228-R358 PolarHBondContact OE1-NH1 3.29Å; E228-R358 IonicContact OE2-NH1 3.53Å; E228-R358 PolarHBondContact OE2-NH1 3.05Å; R354-R358 WeakPolarHBondContact O-CB 3.46Å; R354-R358 WeakPolarHBondContact O-CG 3.42Å; R354-R358 PolarHBondContact O-N 3.13Å; L355-R358 PolarHBondContact O-N 3.35Å; E356-R358 VanDerWaalsContact C-N 3.31Å; E356-R358 PolarHBondContact O-N 3.39Å; R358-A361 PolarHBondContact O-N 3.03Å; R358-A362 PolarHBondContact O-N 3.09Å
359	R	55	Low	49.5	Very low	160 Å²	160	101.5 Å²	101.5	60%	0.604	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-44.2	175.1	-77.3	-178.4	177.6	158.7	4.6	111.4	L355 E356 A361 A362 V363	L355-R359 WeakPolarHBondContact O-CB 3.32Å; L355-R359 WeakPolarHBondContact O-CG 3.26Å; L355-R359 PolarHBondContact O-N 3.06Å; E356-R359 PolarHBondContact O-N 2.94Å; R359-A361 VanDerWaalsContact C-N 3.34Å; R359-A361 PolarHBondContact O-N 2.93Å; R359-A362 PolarHBondContact O-N 3.05Å; R359-V363 VanDerWaalsContact O-CG2 3.32Å; R359-V363 WeakPolarHBondContact O-CG2 3.35Å; R359-V363 PolarHBondContact O-N 3.41Å
360	E	58.8	Low	49.2	Very low	120 Å²	120	101.4 Å²	101.4	56%	0.561	52%	0.524	S	S	*	.	H	α-helix	trans	-62.1	-40.4	174.8	-73.3	179.7	176.1	0	0	111.5	E356 V363 M364	E356-E360 WeakPolarHBondContact O-CB 3.45Å; E356-E360 VanDerWaalsContact O-CG 3.28Å; E356-E360 WeakPolarHBondContact O-CG 3.33Å; E356-E360 PolarHBondContact O-N 3.02Å; E360-V363 PolarHBondContact O-N 3.07Å; E360-M364 WeakPolarHBondContact O-CG 3.27Å; E360-M364 PolarHBondContact O-N 3.43Å
361	A	59.3	Low	48.5	Very low	36 Å²	36	106.8 Å²	106.8	30%	0.298	54%	0.544	S	S	.	.	H	α-helix	trans	-66.7	-36.3	175.1	0	0	0	0	0	112.8	A357 R358 R359 R365	A357-A361 WeakPolarHBondContact O-CB 3.27Å; A357-A361 PolarHBondContact O-N 2.88Å; R358-A361 PolarHBondContact O-N 3.03Å; R359-A361 VanDerWaalsContact C-N 3.34Å; R359-A361 PolarHBondContact O-N 2.93Å; A361-R365 WeakPolarHBondContact O-CB 3.34Å; A361-R365 WeakPolarHBondContact O-CG 3.2Å; A361-R365 PolarHBondContact O-N 3.38Å
362	A	56.5	Low	47.8	Very low	57 Å²	57	111 Å²	111	47%	0.471	57%	0.574	S	S	.	*	H	α-helix	trans	-68.5	-38.5	173.8	0	0	0	0	0	111.8	R358 R359 R365 S366	R358-A362 PolarHBondContact O-N 3.09Å; R359-A362 PolarHBondContact O-N 3.05Å; A362-R365 PolarHBondContact O-N 3.38Å; A362-S366 PolarHBondContact O-N 3.06Å; A362-S366 PolarHBondContact O-OG 3.33Å
363	V	56.9	Low	47.1	Very low	78 Å²	78	113.7 Å²	113.7	47%	0.473	59%	0.589	S	S	.	*	H	α-helix	trans	-66.1	-44.6	172.6	175.1	0	0	0	0	110.6	R359 E360 R365 S366 W367	R359-V363 VanDerWaalsContact O-CG2 3.32Å; R359-V363 WeakPolarHBondContact O-CG2 3.35Å; R359-V363 PolarHBondContact O-N 3.41Å; E360-V363 PolarHBondContact O-N 3.07Å; V363-R365 VanDerWaalsContact C-N 3.35Å; V363-R365 PolarHBondContact O-N 3.46Å; V363-S366 PolarHBondContact O-N 2.81Å; V363-S366 PolarHBondContact O-OG 3.01Å; V363-W367 PolarHBondContact O-N 3.47Å
364	M	40.9	Very low	46.5	Very low	135 Å²	135	117.4 Å²	117.4	67%	0.665	61%	0.606	S	S	*	*	H	α-helix	trans	-61	-40.9	175.3	-79.5	-166.1	-161	0	0	112.6	E360 W367 S368	E360-M364 WeakPolarHBondContact O-CG 3.27Å; E360-M364 PolarHBondContact O-N 3.43Å; M364-W367 PolarHBondContact O-N 3.22Å; M364-S368 PolarHBondContact O-N 3.37Å; M364-S368 PolarHBondContact O-OG 2.99Å
365	R	41.4	Very low	45.4	Very low	180 Å²	180	118.1 Å²	118.1	68%	0.679	62%	0.621	S	S	*	*	H	α-helix	trans	-63.7	-38.6	175.7	-79.7	-174.1	-116	179.4	-3.7	112.6	A361 A362 V363 W367 S368	A361-R365 WeakPolarHBondContact O-CB 3.34Å; A361-R365 WeakPolarHBondContact O-CG 3.2Å; A361-R365 PolarHBondContact O-N 3.38Å; A362-R365 PolarHBondContact O-N 3.38Å; V363-R365 VanDerWaalsContact C-N 3.35Å; V363-R365 PolarHBondContact O-N 3.46Å; R365-W367 PolarHBondContact O-N 3.4Å; R365-S368 WeakPolarHBondContact CA-OG 3.48Å; R365-S368 PolarHBondContact O-N 2.89Å; R365-S368 PolarHBondContact O-OG 2.75Å
366	S	42.5	Very low	44.8	Very low	82 Å²	82	123.7 Å²	123.7	57%	0.573	65%	0.651	S	S	*	*	H	α-helix	trans	-71.1	-17.4	176.4	60.2	0	0	0	0	113.4	A362 V363	A362-S366 PolarHBondContact O-N 3.06Å; A362-S366 PolarHBondContact O-OG 3.33Å; V363-S366 PolarHBondContact O-N 2.81Å; V363-S366 PolarHBondContact O-OG 3.01Å
367	W	42.6	Very low	43.6	Very low	216 Å²	216	123.7 Å²	123.7	82%	0.818	66%	0.662	S	S	*	*	H	α-helix	trans	-91.4	-11.7	175.3	-70.2	36.6	0	0	0	113.2	V363 M364 R365	V363-W367 PolarHBondContact O-N 3.47Å; M364-W367 PolarHBondContact O-N 3.22Å; R365-W367 PolarHBondContact O-N 3.4Å
368	S	44	Very low	42.1	Very low	85 Å²	85	125.6 Å²	125.6	59%	0.594	67%	0.672	S	S	*	*	S	Bend	trans	-103.2	6.3	-178.5	32.1	0	0	0	0	114.2	M364 R365	M364-S368 PolarHBondContact O-N 3.37Å; M364-S368 PolarHBondContact O-OG 2.99Å; R365-S368 WeakPolarHBondContact CA-OG 3.48Å; R365-S368 PolarHBondContact O-N 2.89Å; R365-S368 PolarHBondContact O-OG 2.75Å
369	F	36.1	Very low	41.2	Very low	199 Å²	199	129.8 Å²	129.8	87%	0.873	70%	0.697	S	S	*	*			trans	-108.7	70.8	168.6	-98.2	-90.2	0	0	0	110.9
370	G	33.9	Very low	40.1	Very low	61 Å²	61	131.4 Å²	131.4	63%	0.629	71%	0.711	S	S	*	*			trans	-121	127	155.6	0	0	0	0	0	107.1
371	E	33	Very low	38.7	Very low	195 Å²	195	130.2 Å²	130.2	91%	0.911	72%	0.722	S	S	*	*	S	Bend	trans	76.3	91.8	174	-57.9	176.9	153.3	0	0	116.7
372	S	31.9	Very low	37.6	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	75%	0.747	S	S	*	*				169	108.9	107.5	58.2	0	0	0	0	110.8
373	D	32.1	Very low	36.4	Very low	166 Å²	166	136.5 Å²	136.5	89%	0.888	76%	0.757	S	S	*	*			trans	-66.5	126	162.2	-70.7	-49.5	0	0	0	109.9
374	T	36.7	Very low	35.3	Very low	136 Å²	136	138.8 Å²	138.8	83%	0.834	77%	0.774	S	S	*	*			trans	-157.3	120.8	143	43.5	0	0	0	0	110.7
375	N	30.8	Very low	34.9	Very low	157 Å²	157	138.3 Å²	138.3	84%	0.84	78%	0.778	S	S	*	*			trans	-42	133.7	163.7	-73.1	-38.3	0	0	0	112.9
376	D	34.8	Very low	34.3	Very low	152 Å²	152	138.2 Å²	138.2	81%	0.813	79%	0.79	S	S	*	*			trans	-143.6	125.4	133.9	-153.5	-5.5	0	0	0	111.2
377	S	30.5	Very low	33.7	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	79%	0.793	S	S	*	*			trans	-106.5	96	-175.2	-61.8	0	0	0	0	107.6
378	S	31.7	Very low	33	Very low	93 Å²	93	141.4 Å²	141.4	65%	0.65	80%	0.795	S	S	*	*			trans	179.2	105.7	159	41	0	0	0	0	111.2
379	Q	36.4	Very low	32.1	Very low	200 Å²	200	145.7 Å²	145.7	94%	0.935	81%	0.808	S	S	*	*			trans	-158.7	124.1	145.9	-108.6	155.7	44	0	0	111.1
380	Q	31.7	Very low	31.7	Very low	193 Å²	193	147 Å²	147	90%	0.902	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.3	138.1	-176.9	-79.9	148.2	-48.9	0	0	111.9
381	A	30	Very low	31.5	Very low	96 Å²	96	146.9 Å²	146.9	79%	0.793	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72	138.9	168.6	0	0	0	0	0	111.3
382	P	35.1	Very low	31.6	Very low	127 Å²	127	140.8 Å²	140.8	83%	0.825	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-84.3	140.7	161.4	32.4	-26	0	0	0	110.4
383	S	30.9	Very low	31.7	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-58	148.8	-175.2	54.7	0	0	0	0	115.6	V385	S383-V385 PolarHBondContact O-N 3.19Å
384	P	33.5	Very low	31.7	Very low	127 Å²	127	132.3 Å²	132.3	83%	0.825	73%	0.731	S	S	*	*			trans	-88.4	103.3	175.8	34.1	-28.2	0	0	0	110.6
385	V	33.2	Very low	31.6	Very low	124 Å²	124	128.1 Å²	128.1	75%	0.752	71%	0.71	S	S	*	*			trans	-131.2	84.5	166.6	-172.1	0	0	0	0	107.7	S383	S383-V385 PolarHBondContact O-N 3.19Å
386	L	29.1	Very low	31.7	Very low	179 Å²	179	125 Å²	125	94%	0.937	69%	0.691	S	S	*	*			trans	178.6	58.7	154	-94.3	167.9	0	0	0	108
387	H	28.9	Very low	31.8	Very low	136 Å²	136	126.5 Å²	126.5	63%	0.63	69%	0.685	S	S	*	*			trans	-104.9	132.5	168	-142	-78.9	0	0	0	106.9	R200	R200-H387 PolarHBondContact NH1-NE2 3.45Å
388	R	29.2	Very low	32.1	Very low	229 Å²	229	124.2 Å²	124.2	86%	0.864	66%	0.66	S	S	*	*			trans	104.3	52.9	175.2	-55.3	175.3	-174.9	-154.2	0.9	116.8
389	M	24.9	Very low	32.4	Very low	174 Å²	174	123 Å²	123	86%	0.857	65%	0.645	S	S	*	*			trans	-130.9	53.1	140.6	-85.6	-179.4	67.8	0	0	109.4	S391	M389-S391 PolarHBondContact O-N 3.22Å
390	W	27.2	Very low	32.5	Very low	227 Å²	227	117.6 Å²	117.6	86%	0.86	62%	0.623	S	S	*	*			trans	-72.3	85.1	155.1	-130.5	46.6	0	0	0	105.3	M197	M197-W390 HydrophobicContact CE-CZ2 4.42Å
391	S	30.7	Very low	32.9	Very low	58 Å²	58	110 Å²	110	41%	0.406	59%	0.59	S	S	.	*			trans	-98.2	135.6	169.4	91.9	0	0	0	0	107.2	M389 S393 V394	M389-S391 PolarHBondContact O-N 3.22Å; S391-S393 PolarHBondContact O-N 3.09Å; S391-S393 VanDerWaalsContact OG-CB 3.24Å; S391-S393 WeakPolarHBondContact OG-CB 3.42Å; S391-S393 PolarHBondContact OG-N 2.84Å; S391-V394 PolarHBondContact O-N 3.42Å
392	A	34.4	Very low	33.3	Very low	67 Å²	67	106 Å²	106	55%	0.554	56%	0.556	S	S	*	*	H	α-helix	trans	-46.1	-19.4	174.2	0	0	0	0	0	113.4	V394 E396	A392-V394 PolarHBondContact O-N 3.34Å; A392-E396 WeakPolarHBondContact O-CB 3.4Å; A392-E396 WeakPolarHBondContact O-CG 3.01Å; A392-E396 PolarHBondContact O-N 3.07Å
393	S	33	Very low	33.6	Very low	51 Å²	51	106.7 Å²	106.7	36%	0.357	54%	0.541	S	S	.	.	H	α-helix	trans	-61.6	-31.9	178.8	-170.7	0	0	0	0	115.3	S391 R397	S391-S393 PolarHBondContact O-N 3.09Å; S391-S393 VanDerWaalsContact OG-CB 3.24Å; S391-S393 WeakPolarHBondContact OG-CB 3.42Å; S391-S393 PolarHBondContact OG-N 2.84Å; S393-R397 VanDerWaalsContact O-CB 3.25Å; S393-R397 WeakPolarHBondContact O-CB 3.37Å; S393-R397 VanDerWaalsContact O-CG 3.25Å; S393-R397 WeakPolarHBondContact O-CG 3.49Å; S393-R397 PolarHBondContact O-N 3.19Å
394	V	33.6	Very low	34.2	Very low	51 Å²	51	104 Å²	104	31%	0.309	52%	0.521	S	S	.	.	H	α-helix	trans	-79.6	-45.1	-179.3	-178.8	0	0	0	0	110.7	S391 A392 E396 R397 W398	S391-V394 PolarHBondContact O-N 3.42Å; A392-V394 PolarHBondContact O-N 3.34Å; V394-E396 VanDerWaalsContact C-N 3.33Å; V394-E396 PolarHBondContact O-N 2.86Å; V394-R397 PolarHBondContact O-N 3.06Å; V394-W398 PolarHBondContact O-N 3.14Å; V394-W398 VanDerWaalsContact O-N 3.07Å
395	A	33	Very low	34.8	Very low	49 Å²	49	99.7 Å²	99.7	41%	0.405	49%	0.488	S	S	.	.	H	α-helix	trans	-61.1	-43	171.5	0	0	0	0	0	110.9	R397 W398 M399	A395-R397 PolarHBondContact O-N 3.14Å; A395-W398 PolarHBondContact O-N 3.42Å; A395-M399 HydrophobicContact CB-CE 4.11Å; A395-M399 HydrophobicContact CB-SD 4.36Å; A395-M399 WeakPolarHBondContact O-CB 3.26Å; A395-M399 WeakPolarHBondContact O-CG 3.49Å; A395-M399 PolarHBondContact O-N 3.48Å
396	E	34.5	Very low	34.9	Very low	92 Å²	92	96.1 Å²	96.1	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-65	-35.9	174.7	-76.7	178.6	160.9	0	0	112.7	A392 V394 N400	A392-E396 WeakPolarHBondContact O-CB 3.4Å; A392-E396 WeakPolarHBondContact O-CG 3.01Å; A392-E396 PolarHBondContact O-N 3.07Å; V394-E396 VanDerWaalsContact C-N 3.33Å; V394-E396 PolarHBondContact O-N 2.86Å; E396-N400 WeakPolarHBondContact O-CB 3.43Å; E396-N400 PolarHBondContact O-N 3.03Å; E396-N400 PolarHBondContact O-ND2 3.29Å
397	R	36.5	Very low	35.5	Very low	182 Å²	182	91.2 Å²	91.2	69%	0.687	44%	0.44	S	S	*	.	H	α-helix	trans	-65.6	-46.9	176.1	-88.5	175.9	175.9	-178.2	-1.5	112.2	S393 V394 A395 N400 V401	S393-R397 VanDerWaalsContact O-CB 3.25Å; S393-R397 WeakPolarHBondContact O-CB 3.37Å; S393-R397 VanDerWaalsContact O-CG 3.25Å; S393-R397 WeakPolarHBondContact O-CG 3.49Å; S393-R397 PolarHBondContact O-N 3.19Å; V394-R397 PolarHBondContact O-N 3.06Å; A395-R397 PolarHBondContact O-N 3.14Å; R397-N400 PolarHBondContact O-N 3.38Å; R397-V401 WeakPolarHBondContact O-CG2 3.43Å; R397-V401 PolarHBondContact O-N 3.41Å
398	W	35.9	Very low	36.1	Very low	56 Å²	56	87.2 Å²	87.2	21%	0.212	42%	0.421	C	S	.	.	H	α-helix	trans	-67.5	-43.8	177.2	-72.8	114.5	0	0	0	112.1	N186 R189 V394 A395 N400 V401 V402	N186-W398 HydrophobicContact CB-CH2 3.61Å; N186-W398 HydrophobicContact CB-CZ3 3.99Å; N186-W398 WeakPolarHBondContact OD1-CH2 3.26Å; R189-W398 HydrophobicContact CG-CZ2 4.39Å; V394-W398 PolarHBondContact O-N 3.14Å; V394-W398 VanDerWaalsContact O-N 3.07Å; A395-W398 PolarHBondContact O-N 3.42Å; W398-N400 VanDerWaalsContact C-N 3.31Å; W398-N400 PolarHBondContact O-N 3.07Å; W398-V401 PolarHBondContact O-N 3.01Å; W398-V402 WeakPolarHBondContact O-CG2 3.46Å; W398-V402 PolarHBondContact O-N 3.17Å
399	M	39.4	Very low	36.6	Very low	68 Å²	68	78.9 Å²	78.9	34%	0.335	40%	0.395	S	S	.	.	H	α-helix	trans	-69.3	-29.3	179.1	-67.9	168.1	-172.4	0	0	111.7	D208 A395 V402 R403	D208-M399 HydrophobicContact CB-CE 3.86Å; D208-M399 HydrophobicContact CB-CG 3.97Å; D208-M399 HydrophobicContact CB-SD 3.41Å; D208-M399 WeakPolarHBondContact CB-SD 3.44Å; A395-M399 HydrophobicContact CB-CE 4.11Å; A395-M399 HydrophobicContact CB-SD 4.36Å; A395-M399 WeakPolarHBondContact O-CB 3.26Å; A395-M399 WeakPolarHBondContact O-CG 3.49Å; A395-M399 PolarHBondContact O-N 3.48Å; M399-V402 PolarHBondContact O-N 3.04Å; M399-R403 WeakPolarHBondContact O-CB 3.15Å; M399-R403 PolarHBondContact O-N 3.27Å
400	N	38	Very low	37.1	Very low	86 Å²	86	77.6 Å²	77.6	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-68.6	-37.5	172.3	-77.6	-15.4	0	0	0	111.7	E396 R397 W398 R403 V404	E396-N400 WeakPolarHBondContact O-CB 3.43Å; E396-N400 PolarHBondContact O-N 3.03Å; E396-N400 PolarHBondContact O-ND2 3.29Å; R397-N400 PolarHBondContact O-N 3.38Å; W398-N400 VanDerWaalsContact C-N 3.31Å; W398-N400 PolarHBondContact O-N 3.07Å; N400-R403 CarbonylContact O-C 3.6Å; N400-R403 PolarHBondContact O-N 3.14Å; N400-V404 WeakPolarHBondContact O-CB 3.47Å; N400-V404 VanDerWaalsContact O-CG2 3.25Å; N400-V404 WeakPolarHBondContact O-CG2 3.42Å; N400-V404 PolarHBondContact O-N 3.27Å
401	V	39.4	Very low	37.5	Very low	34 Å²	34	76.7 Å²	76.7	21%	0.206	39%	0.389	C	S	.	.	H	α-helix	trans	-64.1	-43.1	173.1	174.2	0	0	0	0	111	R397 W398 R403 V404 R405	R397-V401 WeakPolarHBondContact O-CG2 3.43Å; R397-V401 PolarHBondContact O-N 3.41Å; W398-V401 PolarHBondContact O-N 3.01Å; V401-R403 VanDerWaalsContact C-N 3.32Å; V401-R403 PolarHBondContact O-N 3.25Å; V401-V404 PolarHBondContact O-N 3.38Å; V401-R405 PolarHBondContact O-N 3.42Å
402	V	38	Very low	37.7	Very low	13 Å²	13	77.8 Å²	77.8	8%	0.079	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-39.8	174.2	175.7	0	0	0	0	110.9	A217 W398 M399 R405 L406	A217-V402 HydrophobicContact CB-CG2 3.72Å; W398-V402 WeakPolarHBondContact O-CG2 3.46Å; W398-V402 PolarHBondContact O-N 3.17Å; M399-V402 PolarHBondContact O-N 3.04Å; V402-R405 PolarHBondContact O-N 3Å; V402-L406 HydrophobicContact CG1-CD1 3.77Å; V402-L406 HydrophobicContact CG1-CG 4.31Å; V402-L406 WeakPolarHBondContact O-CB 3.45Å; V402-L406 VanDerWaalsContact O-CG 3.3Å; V402-L406 WeakPolarHBondContact O-CG 3.47Å; V402-L406 PolarHBondContact O-N 3.43Å
403	R	41.9	Very low	37.5	Very low	140 Å²	140	83 Å²	83	53%	0.528	41%	0.41	S	S	.	.	H	α-helix	trans	-69.4	-37.7	178.4	-171.6	177.7	-175.2	-176.4	3.7	112.5	M399 N400 V401 R405 L406 D407	M399-R403 WeakPolarHBondContact O-CB 3.15Å; M399-R403 PolarHBondContact O-N 3.27Å; N400-R403 CarbonylContact O-C 3.6Å; N400-R403 PolarHBondContact O-N 3.14Å; V401-R403 VanDerWaalsContact C-N 3.32Å; V401-R403 PolarHBondContact O-N 3.25Å; R403-R405 VanDerWaalsContact C-N 3.34Å; R403-L406 PolarHBondContact O-N 2.98Å; R403-D407 IonicContact NE-OD2 3.62Å; R403-D407 WeakPolarHBondContact O-CB 3.41Å; R403-D407 VanDerWaalsContact O-CG 3.29Å; R403-D407 PolarHBondContact O-N 3Å
404	V	44.1	Very low	37.2	Very low	42 Å²	42	85.7 Å²	85.7	26%	0.255	42%	0.42	S	S	.	.	H	α-helix	trans	-63.2	-43.7	174.7	169.4	0	0	0	0	109.8	E115 N400 V401 Q408	E115-V404 HydrophobicContact CG-CG1 4.4Å; N400-V404 WeakPolarHBondContact O-CB 3.47Å; N400-V404 VanDerWaalsContact O-CG2 3.25Å; N400-V404 WeakPolarHBondContact O-CG2 3.42Å; N400-V404 PolarHBondContact O-N 3.27Å; V401-V404 PolarHBondContact O-N 3.38Å; V404-Q408 WeakPolarHBondContact O-CB 2.98Å; V404-Q408 VanDerWaalsContact O-CG 3.28Å; V404-Q408 WeakPolarHBondContact O-CG 3.25Å; V404-Q408 PolarHBondContact O-N 2.78Å
405	R	45	Very low	36.9	Very low	35 Å²	35	88.2 Å²	88.2	13%	0.132	44%	0.437	C	S	.	.	H	α-helix	trans	-64.5	-42	173.8	-86.8	-179.2	167.5	166.2	-10.3	112.8	S147 D148 N221 W254 V401 V402 R403 Q408	S147-R405 VanDerWaalsContact O-CZ 3.3Å; S147-R405 PolarHBondContact O-NH2 3.01Å; D148-R405 VanDerWaalsContact CA-NH2 3.28Å; D148-R405 PolarHBondContact O-NH2 3.35Å; D148-R405 VanDerWaalsContact O-NH2 3.1Å; N221-R405 PolarHBondContact OD1-NH1 3.07Å; W254-R405 HydrophobicContact CH2-CB 4.2Å; W254-R405 HydrophobicContact CH2-CG 4.12Å; W254-R405 HydrophobicContact CZ2-CB 3.8Å; W254-R405 HydrophobicContact CZ2-CG 4.15Å; W254-R405 VanDerWaalsContact CZ2-O 3.24Å; W254-R405 WeakPolarHBondContact CZ2-O 3.17Å; V401-R405 PolarHBondContact O-N 3.42Å; V402-R405 PolarHBondContact O-N 3Å; R403-R405 VanDerWaalsContact C-N 3.34Å; R405-Q408 PolarHBondContact O-N 3.26Å
406	L	37	Very low	36.7	Very low	49 Å²	49	92 Å²	92	26%	0.257	46%	0.46	S	S	.	.	H	α-helix	trans	-70.6	-39.8	177.3	-68.9	172.6	0	0	0	112.9	V402 R403 Q408 V409	V402-L406 HydrophobicContact CG1-CD1 3.77Å; V402-L406 HydrophobicContact CG1-CG 4.31Å; V402-L406 WeakPolarHBondContact O-CB 3.45Å; V402-L406 VanDerWaalsContact O-CG 3.3Å; V402-L406 WeakPolarHBondContact O-CG 3.47Å; V402-L406 PolarHBondContact O-N 3.43Å; R403-L406 PolarHBondContact O-N 2.98Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.33Å; L406-V409 VanDerWaalsContact O-CB 3.26Å; L406-V409 WeakPolarHBondContact O-CB 3.48Å; L406-V409 WeakPolarHBondContact O-CG2 3.11Å; L406-V409 PolarHBondContact O-N 3.12Å
407	D	41	Very low	36.5	Very low	77 Å²	77	98.2 Å²	98.2	41%	0.412	48%	0.48	S	S	.	.	H	α-helix	trans	-69.2	-25	176.3	-76.4	-6.9	0	0	0	111.6	R403 V409 D410	R403-D407 IonicContact NE-OD2 3.62Å; R403-D407 WeakPolarHBondContact O-CB 3.41Å; R403-D407 VanDerWaalsContact O-CG 3.29Å; R403-D407 PolarHBondContact O-N 3Å; D407-V409 PolarHBondContact O-N 2.9Å; D407-D410 PolarHBondContact O-N 3.14Å
408	Q	41.8	Very low	36.2	Very low	51 Å²	51	91.4 Å²	91.4	24%	0.238	46%	0.46	C	S	.	.	H	α-helix	trans	-60.7	-33.3	169.6	-82.2	177.3	6.8	0	0	110.8	E115 V404 R405 L406 D410 R411 V412	E115-Q408 PolarHBondContact OE1-NE2 3.21Å; V404-Q408 WeakPolarHBondContact O-CB 2.98Å; V404-Q408 VanDerWaalsContact O-CG 3.28Å; V404-Q408 WeakPolarHBondContact O-CG 3.25Å; V404-Q408 PolarHBondContact O-N 2.78Å; R405-Q408 PolarHBondContact O-N 3.26Å; L406-Q408 VanDerWaalsContact C-N 3.28Å; L406-Q408 PolarHBondContact O-N 3.33Å; Q408-D410 VanDerWaalsContact C-N 3.26Å; Q408-D410 PolarHBondContact O-N 3.4Å; Q408-R411 PolarHBondContact O-N 2.91Å; Q408-V412 HydrophobicContact CB-CG2 4.44Å; Q408-V412 WeakPolarHBondContact O-CB 3.38Å; Q408-V412 WeakPolarHBondContact O-CG2 3.5Å; Q408-V412 PolarHBondContact O-N 3.47Å
409	V	38.6	Very low	36	Very low	54 Å²	54	96.2 Å²	96.2	33%	0.327	48%	0.479	S	S	.	.	H	α-helix	trans	-62.3	-33.1	176.2	-169.5	0	0	0	0	111.8	W245 W254 L406 D407 R411	W245-V409 HydrophobicContact CZ2-CG1 4.27Å; W254-V409 HydrophobicContact CZ2-CG2 4.37Å; L406-V409 VanDerWaalsContact O-CB 3.26Å; L406-V409 WeakPolarHBondContact O-CB 3.48Å; L406-V409 WeakPolarHBondContact O-CG2 3.11Å; L406-V409 PolarHBondContact O-N 3.12Å; D407-V409 PolarHBondContact O-N 2.9Å; V409-R411 VanDerWaalsContact C-N 3.29Å; V409-R411 PolarHBondContact O-N 3.25Å
410	D	35.7	Very low	35.6	Very low	147 Å²	147	100.9 Å²	100.9	79%	0.786	50%	0.5	S	S	*	.	H	α-helix	trans	-75.1	-14.1	176.2	-85.2	-14.9	0	0	0	113.9	D407 Q408	D407-D410 PolarHBondContact O-N 3.14Å; Q408-D410 VanDerWaalsContact C-N 3.26Å; Q408-D410 PolarHBondContact O-N 3.4Å
411	R	35.6	Very low	35.2	Very low	209 Å²	209	103.9 Å²	103.9	79%	0.789	51%	0.514	S	S	*	.	H	α-helix	trans	-105.7	-12.7	177.3	-66.3	-172.9	-179.9	-170.6	3.4	113.8	Q408 V409 L413	Q408-R411 PolarHBondContact O-N 2.91Å; V409-R411 VanDerWaalsContact C-N 3.29Å; V409-R411 PolarHBondContact O-N 3.25Å; R411-L413 PolarHBondContact O-N 3.37Å
412	V	35.3	Very low	35	Very low	80 Å²	80	107 Å²	107	49%	0.485	53%	0.528	S	S	.	.			trans	-96.6	28.2	-165	173.1	0	0	0	0	114.3	Q408 I414	Q408-V412 HydrophobicContact CB-CG2 4.44Å; Q408-V412 WeakPolarHBondContact O-CB 3.38Å; Q408-V412 WeakPolarHBondContact O-CG2 3.5Å; Q408-V412 PolarHBondContact O-N 3.47Å; V412-I414 PolarHBondContact O-N 3.25Å
413	L	30.6	Very low	34.9	Very low	176 Å²	176	111 Å²	111	92%	0.921	55%	0.553	S	S	*	*	S	Bend	trans	-76.3	18.1	153.4	-98.6	167.8	0	0	0	113.1	R411	R411-L413 PolarHBondContact O-N 3.37Å
414	I	26.8	Very low	34.4	Very low	109 Å²	109	115.9 Å²	115.9	56%	0.559	57%	0.571	S	S	*	*	S	Bend	trans	-122.7	119.3	174.5	-53.8	179	0	0	0	108.1	V412 S418	V412-I414 PolarHBondContact O-N 3.25Å; I414-S418 WeakPolarHBondContact CG2-OG 3.47Å
415	P	26.8	Very low	33.6	Very low	103 Å²	103	118.2 Å²	118.2	67%	0.669	59%	0.587	S	S	*	*			trans	-52.6	143.3	-179.4	-23.6	32	0	0	0	112.1	R417 S418	P415-R417 PolarHBondContact O-N 3.26Å; P415-S418 PolarHBondContact O-OG 3.19Å
416	S	28.4	Very low	33	Very low	128 Å²	128	123.4 Å²	123.4	90%	0.895	62%	0.617	S	S	*	*	S	Bend	trans	-53.2	53.2	176.3	36.7	0	0	0	0	115.9
417	R	30	Very low	32.9	Very low	223 Å²	223	127.2 Å²	127.2	84%	0.842	64%	0.637	S	S	*	*			trans	-125.5	5.6	169.5	-87.1	-173.5	166.2	-175.5	-4	113.2	P415	P415-R417 PolarHBondContact O-N 3.26Å
418	S	31.9	Very low	32.5	Very low	40 Å²	40	132 Å²	132	28%	0.28	66%	0.656	S	S	.	*			trans	-90.4	-17.9	-162.9	-50.5	0	0	0	0	115.1	I414 P415 Q420 M421 L422	I414-S418 WeakPolarHBondContact CG2-OG 3.47Å; P415-S418 PolarHBondContact O-OG 3.19Å; S418-Q420 PolarHBondContact O-N 3.16Å; S418-M421 PolarHBondContact O-N 2.84Å; S418-L422 WeakPolarHBondContact O-CD1 3.37Å; S418-L422 PolarHBondContact O-N 2.93Å
419	Y	31.7	Very low	32	Very low	157 Å²	157	140.8 Å²	140.8	62%	0.616	69%	0.687	S	S	*	*	H	α-helix	trans	-70.9	-28.2	178.7	-99.7	-99.5	0	0	0	113.1	E115 M421	E115-Y419 PolarHBondContact OE2-OH 3.44Å; Y419-M421 VanDerWaalsContact C-N 3.3Å; Y419-M421 PolarHBondContact O-N 3.49Å
420	Q	30.4	Very low	31.8	Very low	165 Å²	165	146 Å²	146	77%	0.771	71%	0.712	S	S	*	*	H	α-helix	trans	-77.7	-8.2	173	-72.4	-172	-5.5	0	0	114.3	S418	S418-Q420 PolarHBondContact O-N 3.16Å
421	M	30.2	Very low	31.7	Very low	150 Å²	150	145.2 Å²	145.2	74%	0.739	71%	0.706	S	S	*	*	H	α-helix	trans	-107.3	-8.6	177.7	-80.4	-105.5	-76.6	0	0	113.8	S418 Y419 P425	S418-M421 PolarHBondContact O-N 2.84Å; Y419-M421 VanDerWaalsContact C-N 3.3Å; Y419-M421 PolarHBondContact O-N 3.49Å; M421-P425 WeakPolarHBondContact O-CD 3.39Å
422	L	33.4	Very low	31.4	Very low	98 Å²	98	143.8 Å²	143.8	51%	0.513	71%	0.708	S	S	.	*	H	α-helix	trans	-91.6	-13.2	-179.3	-80.5	160.9	0	0	0	114.1	S418 R424	S418-L422 WeakPolarHBondContact O-CD1 3.37Å; S418-L422 PolarHBondContact O-N 2.93Å; L422-R424 VanDerWaalsContact C-N 3.33Å; L422-R424 PolarHBondContact O-N 2.9Å
423	V	35.9	Very low	31.3	Very low	98 Å²	98	145.7 Å²	145.7	59%	0.594	72%	0.722	S	S	*	*	S	Bend	trans	-84.1	0.5	-178.9	-174	0	0	0	0	113.3	I92	I92-V423 HydrophobicContact CG2-CG1 3.92Å
424	R	31.3	Very low	31.4	Very low	242 Å²	242	146.7 Å²	146.7	91%	0.913	72%	0.722	S	S	*	*	S	Bend	trans	-130.8	-1.8	-175.5	-89.9	-176.6	172.7	-178.9	-0.6	119.7	L422	L422-R424 VanDerWaalsContact C-N 3.33Å; L422-R424 PolarHBondContact O-N 2.9Å
425	P	27.6	Very low	31.8	Very low	92 Å²	92	146.2 Å²	146.2	60%	0.597	74%	0.735	S	S	*	*	S	Bend	trans	-134.3	35.2	169.5	33.8	-15.5	0	0	0	117.9	M421	M421-P425 WeakPolarHBondContact O-CD 3.39Å
426	L	33	Very low	32.3	Very low	143 Å²	143	146.1 Å²	146.1	75%	0.749	74%	0.742	S	S	*	*	S	Bend	trans	-96.7	-3.9	168.9	-73.5	175	0	0	0	115.3	H428	L426-H428 PolarHBondContact O-N 3Å
427	L	33.8	Very low	32.9	Very low	129 Å²	129	145.9 Å²	145.9	68%	0.675	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	9.7	178.7	-86.9	162.2	0	0	0	115.7
428	H	33.2	Very low	33.6	Very low	177 Å²	177	146.7 Å²	146.7	82%	0.819	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	13.4	-174.3	-121.7	-66.8	0	0	0	116.3	L426	L426-H428 PolarHBondContact O-N 3Å
429	R	31.7	Very low	34.1	Very low	236 Å²	236	154.5 Å²	154.5	89%	0.891	80%	0.796	S	S	*	*	S	Bend	trans	-128.9	7.9	-170.4	-112.1	178.5	-179.2	174.8	0.4	118.9
430	I	33.9	Very low	34.2	Very low	165 Å²	165	154.4 Å²	154.4	85%	0.846	81%	0.805	S	S	*	*	S	Bend	trans	-124.9	2	179.9	-61.9	-179.6	0	0	0	114.5
431	I	33.2	Very low	34.4	Very low	129 Å²	129	153.8 Å²	153.8	66%	0.662	81%	0.807	S	S	*	*	S	Bend	trans	-131.5	69.5	173.8	-47.5	177.5	0	0	0	111.3
432	Q	30.9	Very low	34.6	Very low	180 Å²	180	154.1 Å²	154.1	84%	0.841	81%	0.811	S	S	*	*			trans	-148	106.7	149	-74.3	-157.1	1.4	0	0	109.8
433	P	32.9	Very low	34.7	Very low	120 Å²	120	157.4 Å²	157.4	78%	0.779	83%	0.828	S	S	*	*			trans	-74.1	136.6	164	31.3	-28.9	0	0	0	108.8	A435	P433-A435 PolarHBondContact O-N 3.34Å
434	E	31.6	Very low	34.6	Very low	196 Å²	196	161.1 Å²	161.1	92%	0.916	84%	0.843	S	S	*	*			trans	-31.6	115.1	170.5	-61.5	172.2	144	0	0	113.6
435	A	36.4	Very low	34.8	Very low	100 Å²	100	155.7 Å²	155.7	83%	0.826	84%	0.838	S	S	*	*			trans	-119.4	73.8	158.2	0	0	0	0	0	108.7	P433 S437	P433-A435 PolarHBondContact O-N 3.34Å; A435-S437 PolarHBondContact O-N 3.17Å
436	A	36	Very low	35.4	Very low	100 Å²	100	160.2 Å²	160.2	83%	0.826	86%	0.856	S	S	*	*			trans	-68.4	105.5	157.8	0	0	0	0	0	108.8
437	S	42.1	Very low	35.5	Very low	123 Å²	123	161.5 Å²	161.5	86%	0.86	86%	0.864	S	S	*	*			trans	-144.3	118.3	150.8	-105	0	0	0	0	110.4	A435	A435-S437 PolarHBondContact O-N 3.17Å
438	R	43.9	Very low	35.7	Very low	241 Å²	241	164.3 Å²	164.3	91%	0.909	88%	0.88	S	S	*	*			trans	-62.6	137.4	172	-62.7	169.3	173.5	-167.6	-3.9	110.1
439	C	42.6	Very low	35.9	Very low	204 Å²	204	163.1 Å²	163.1	100%	1.378	89%	0.885	S	S	*	*				-95.1	0	127.9	-73.7	0	0	0	0	107.8

Retrieved 439 of 439 residues in 345.2 ms (Link to these results)

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