A0A077Z706_TRITR Loading...

SUMO activating enzyme subunit 1

AlphaFold DB , UniProt , Accession A0A077Z706, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 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	34.2	Very low	43.3	Very low	242 Å²	242	131.7 Å²	131.7	100%	1.192	72%	0.721	S	S	*	*				0	128.9	0	-78.5	172.3	80.2	0	0	106.8	A3	M1-A3 PolarHBondContact O-N 3.4Å
2	E	30.7	Very low	47	Very low	199 Å²	199	124.6 Å²	124.6	93%	0.93	69%	0.688	S	S	*	*			trans	-53.4	122.3	-157	-71.2	143.3	136.5	0	0	114.7
3	A	33.2	Very low	50.2	Low	90 Å²	90	129 Å²	129	74%	0.744	70%	0.696	S	S	*	*			trans	-85.6	113.4	162.7	0	0	0	0	0	107.8	M1 H5	M1-A3 PolarHBondContact O-N 3.4Å; A3-H5 PolarHBondContact O-N 3.22Å; A3-H5 VanDerWaalsContact O-N 3.12Å
4	A	31.2	Very low	53.1	Low	95 Å²	95	129.9 Å²	129.9	79%	0.785	69%	0.693	S	S	*	*			trans	-51.7	113.2	172.9	0	0	0	0	0	110.3	S6	A4-S6 VanDerWaalsContact C-N 3.31Å; A4-S6 PolarHBondContact O-N 3.3Å; A4-S6 VanDerWaalsContact O-N 3.1Å
5	H	29.6	Very low	55.6	Low	194 Å²	194	123.7 Å²	123.7	90%	0.898	66%	0.658	S	S	*	*			trans	-71.7	93.6	158.9	-88.5	61.3	0	0	0	106.8	A3	A3-H5 PolarHBondContact O-N 3.22Å; A3-H5 VanDerWaalsContact O-N 3.12Å
6	S	33.9	Very low	57.7	Low	73 Å²	73	118.3 Å²	118.3	51%	0.51	64%	0.637	S	S	.	*			trans	-63.9	136.5	167.2	45.4	0	0	0	0	109.1	A4 E8	A4-S6 VanDerWaalsContact C-N 3.31Å; A4-S6 PolarHBondContact O-N 3.3Å; A4-S6 VanDerWaalsContact O-N 3.1Å; S6-E8 VanDerWaalsContact C-N 3.34Å; S6-E8 PolarHBondContact O-N 3.49Å
7	N	33.1	Very low	59.7	Low	150 Å²	150	117.8 Å²	117.8	80%	0.802	64%	0.638	S	S	*	*			trans	-62.5	84.5	-178.5	-99	-27.2	0	0	0	111.1	K9	N7-K9 PolarHBondContact O-N 2.88Å
8	E	47.7	Very low	61.5	Low	119 Å²	119	116.4 Å²	116.4	56%	0.556	63%	0.63	S	S	*	*			trans	-64.9	102.8	159.7	-86	-172.2	165.8	0	0	107.4	S6 S10	S6-E8 VanDerWaalsContact C-N 3.34Å; S6-E8 PolarHBondContact O-N 3.49Å; E8-S10 PolarHBondContact O-N 3.16Å
9	K	56.8	Low	63.2	Low	173 Å²	173	110.5 Å²	110.5	75%	0.752	60%	0.598	S	S	*	*			trans	-53.7	105.2	174.3	-153	-178.9	-172.9	-174.8	0	108.1	N7	N7-K9 PolarHBondContact O-N 2.88Å
10	S	66.9	Low	64.6	Low	94 Å²	94	107.7 Å²	107.7	66%	0.657	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-69.9	142	-179.8	52.4	0	0	0	0	109.7	E8 S12	E8-S10 PolarHBondContact O-N 3.16Å; S10-S12 PolarHBondContact O-N 3.18Å
11	L	79.3	Confident	65.9	Low	20 Å²	20	111.9 Å²	111.9	11%	0.105	59%	0.59	C	S	.	*	P	Polyproline II helix	trans	-54.4	136	172	-80.6	96	0	0	0	109.3	E15 A16 Y19 I23 F28 Q31 M35	L11-E15 HydrophobicContact CB-CB 4.33Å; L11-E15 HydrophobicContact CD2-CB 3.99Å; L11-E15 HydrophobicContact CG-CB 4.5Å; L11-A16 HydrophobicContact CB-CB 4.38Å; L11-Y19 HydrophobicContact CD2-CD2 4.02Å; L11-I23 HydrophobicContact CD2-CD1 3.98Å; L11-F28 HydrophobicContact CB-CE2 4.27Å; L11-F28 HydrophobicContact CD1-CD2 3.64Å; L11-F28 HydrophobicContact CD1-CE1 4.33Å; L11-F28 HydrophobicContact CD1-CE2 3.15Å; L11-F28 HydrophobicContact CD1-CG 4.41Å; L11-F28 HydrophobicContact CD1-CZ 3.55Å; L11-F28 HydrophobicContact CG-CE2 4.28Å; L11-Q31 HydrophobicContact CD2-CG 4Å; L11-M35 HydrophobicContact CD1-SD 4.18Å; L11-M35 HydrophobicContact CD2-CE 4.17Å; L11-M35 HydrophobicContact CD2-SD 3.43Å; L11-M35 WeakPolarHBondContact CD2-SD 3.3Å; L11-M35 HydrophobicContact CG-CE 3.96Å; L11-M35 HydrophobicContact CG-SD 3.58Å; L11-M35 VanDerWaalsContact CG-SD 3.58Å
12	S	87.8	Confident	68.5	Low	46 Å²	46	101.9 Å²	101.9	32%	0.322	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-60.5	157.4	169.3	71	0	0	0	0	110	S10 Q14 E15 A16	S10-S12 PolarHBondContact O-N 3.18Å; S12-Q14 PolarHBondContact O-N 3.16Å; S12-Q14 VanDerWaalsContact O-N 3.16Å; S12-E15 WeakPolarHBondContact CB-OE2 3.22Å; S12-E15 PolarHBondContact N-OE2 2.86Å; S12-E15 PolarHBondContact O-N 2.8Å; S12-E15 VanDerWaalsContact O-N 3.16Å; S12-E15 WeakPolarHBondContact OG-CB 3.45Å; S12-E15 VanDerWaalsContact OG-CD 3.27Å; S12-E15 VanDerWaalsContact OG-CG 3.22Å; S12-E15 WeakPolarHBondContact OG-CG 3.5Å; S12-E15 PolarHBondContact OG-N 3.4Å; S12-E15 PolarHBondContact OG-OE2 2.97Å; S12-A16 WeakPolarHBondContact O-CB 3.16Å; S12-A16 PolarHBondContact O-N 2.84Å
13	K	88.5	Confident	71.2	Confident	182 Å²	182	94 Å²	94	79%	0.791	50%	0.504	S	S	*	.	H	α-helix	trans	-56.3	-34.3	177.2	-175.4	176.5	178.3	-179.2	0	112.1	V17	K13-V17 VanDerWaalsContact O-CG2 3.3Å; K13-V17 WeakPolarHBondContact O-CG2 3.03Å; K13-V17 PolarHBondContact O-N 3.12Å
14	Q	91	Very high	73.8	Confident	141 Å²	141	97.7 Å²	97.7	66%	0.659	50%	0.499	S	S	*	.	H	α-helix	trans	-71.5	-45.1	178.6	-67.3	178.2	-30.3	0	0	111.5	S12 A16 V17 L18 F105	S12-Q14 PolarHBondContact O-N 3.16Å; S12-Q14 VanDerWaalsContact O-N 3.16Å; Q14-A16 VanDerWaalsContact C-N 3.35Å; Q14-A16 PolarHBondContact O-N 2.67Å; Q14-V17 PolarHBondContact O-N 3.1Å; Q14-L18 WeakPolarHBondContact O-CB 3.46Å; Q14-L18 PolarHBondContact O-N 2.8Å; Q14-F105 HydrophobicContact CB-CE1 4.43Å; Q14-F105 HydrophobicContact CB-CZ 3.76Å
15	E	90.6	Very high	76.5	Confident	37 Å²	37	98.8 Å²	98.8	17%	0.173	49%	0.49	C	S	.	.	H	α-helix	trans	-63.9	-39.7	175.9	-67.5	162.5	128.9	0	0	111.6	L11 S12 V17 L18 Y19 M35 F105	L11-E15 HydrophobicContact CB-CB 4.33Å; L11-E15 HydrophobicContact CD2-CB 3.99Å; L11-E15 HydrophobicContact CG-CB 4.5Å; S12-E15 WeakPolarHBondContact CB-OE2 3.22Å; S12-E15 PolarHBondContact N-OE2 2.86Å; S12-E15 PolarHBondContact O-N 2.8Å; S12-E15 VanDerWaalsContact O-N 3.16Å; S12-E15 WeakPolarHBondContact OG-CB 3.45Å; S12-E15 VanDerWaalsContact OG-CD 3.27Å; S12-E15 VanDerWaalsContact OG-CG 3.22Å; S12-E15 WeakPolarHBondContact OG-CG 3.5Å; S12-E15 PolarHBondContact OG-N 3.4Å; S12-E15 PolarHBondContact OG-OE2 2.97Å; E15-V17 VanDerWaalsContact C-N 3.31Å; E15-V17 PolarHBondContact O-N 3.49Å; E15-L18 PolarHBondContact O-N 2.87Å; E15-Y19 HydrophobicContact CB-CD2 4.03Å; E15-Y19 HydrophobicContact CB-CE2 3.99Å; E15-Y19 HydrophobicContact CG-CE2 4.23Å; E15-Y19 WeakPolarHBondContact O-CB 3.48Å; E15-Y19 WeakPolarHBondContact O-CD2 3.45Å; E15-Y19 PolarHBondContact O-N 3.49Å; E15-M35 HydrophobicContact CB-CE 4.31Å; E15-M35 VanDerWaalsContact CD-CE 3.43Å; E15-M35 HydrophobicContact CG-CE 4.2Å; E15-M35 WeakPolarHBondContact OE1-CE 3.44Å; E15-F105 HydrophobicContact CG-CD1 3.56Å; E15-F105 HydrophobicContact CG-CD2 4.23Å; E15-F105 HydrophobicContact CG-CE1 3.68Å; E15-F105 HydrophobicContact CG-CE2 4.33Å; E15-F105 HydrophobicContact CG-CG 3.87Å; E15-F105 HydrophobicContact CG-CZ 4.08Å
16	A	89.1	Confident	79.1	Confident	38 Å²	38	93 Å²	93	31%	0.314	46%	0.461	S	S	.	.	H	α-helix	trans	-62.6	-36.9	177.1	0	0	0	0	0	112.6	L11 S12 Q14 D20	L11-A16 HydrophobicContact CB-CB 4.38Å; S12-A16 WeakPolarHBondContact O-CB 3.16Å; S12-A16 PolarHBondContact O-N 2.84Å; Q14-A16 VanDerWaalsContact C-N 3.35Å; Q14-A16 PolarHBondContact O-N 2.67Å; A16-D20 WeakPolarHBondContact O-CA 3.25Å; A16-D20 PolarHBondContact O-N 2.87Å
17	V	91.4	Very high	81.6	Confident	109 Å²	109	91 Å²	91	66%	0.661	45%	0.451	S	S	*	.	H	α-helix	trans	-71.6	-45.1	174.6	170.6	0	0	0	0	110.9	K13 Q14 E15 Y19 D20	K13-V17 VanDerWaalsContact O-CG2 3.3Å; K13-V17 WeakPolarHBondContact O-CG2 3.03Å; K13-V17 PolarHBondContact O-N 3.12Å; Q14-V17 PolarHBondContact O-N 3.1Å; E15-V17 VanDerWaalsContact C-N 3.31Å; E15-V17 PolarHBondContact O-N 3.49Å; V17-Y19 VanDerWaalsContact C-N 3.35Å; V17-Y19 PolarHBondContact O-N 3.47Å; V17-D20 PolarHBondContact O-N 3.15Å
18	L	92.5	Very high	84.1	Confident	93 Å²	93	88 Å²	88	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-60.5	-45.1	179.8	-179.2	62.6	0	0	0	111.6	Q14 E15 F105	Q14-L18 WeakPolarHBondContact O-CB 3.46Å; Q14-L18 PolarHBondContact O-N 2.8Å; E15-L18 PolarHBondContact O-N 2.87Å; L18-F105 HydrophobicContact CD2-CD2 3.64Å; L18-F105 HydrophobicContact CD2-CE2 3.78Å
19	Y	93.6	Very high	85.9	Confident	4 Å²	4	89 Å²	89	2%	0.016	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	13.6	-175.4	-54.5	-46.8	0	0	0	113.5	L11 E15 V17 R21 Q22 I23 Q31 M35 G59 N103	L11-Y19 HydrophobicContact CD2-CD2 4.02Å; E15-Y19 HydrophobicContact CB-CD2 4.03Å; E15-Y19 HydrophobicContact CB-CE2 3.99Å; E15-Y19 HydrophobicContact CG-CE2 4.23Å; E15-Y19 WeakPolarHBondContact O-CB 3.48Å; E15-Y19 WeakPolarHBondContact O-CD2 3.45Å; E15-Y19 PolarHBondContact O-N 3.49Å; V17-Y19 VanDerWaalsContact C-N 3.35Å; V17-Y19 PolarHBondContact O-N 3.47Å; Y19-R21 VanDerWaalsContact C-N 3.31Å; Y19-R21 PolarHBondContact O-N 3.18Å; Y19-Q22 VanDerWaalsContact CD1-CD 3.43Å; Y19-Q22 HydrophobicContact CD1-CG 4.35Å; Y19-Q22 HydrophobicContact CG-CG 4.4Å; Y19-Q22 WeakPolarHBondContact O-CG 3.31Å; Y19-Q22 PolarHBondContact O-N 3.11Å; Y19-I23 WeakPolarHBondContact O-CB 3.16Å; Y19-I23 WeakPolarHBondContact O-CD1 3.43Å; Y19-I23 WeakPolarHBondContact O-CG1 3.38Å; Y19-I23 PolarHBondContact O-N 3.41Å; Y19-Q31 HydrophobicContact CD2-CG 4.39Å; Y19-M35 HydrophobicContact CD2-SD 4.13Å; Y19-M35 HydrophobicContact CE2-CE 4.48Å; Y19-M35 HydrophobicContact CE2-CG 4.46Å; Y19-M35 HydrophobicContact CE2-SD 4.07Å; Y19-G59 VanDerWaalsContact OH-CA 3.25Å; Y19-G59 WeakPolarHBondContact OH-CA 3.45Å; Y19-N103 PolarHBondContact OH-ND2 2.93Å
20	D	90.8	Very high	87.4	Confident	55 Å²	55	81 Å²	81	29%	0.294	40%	0.4	S	S	.	.	H	α-helix	trans	-54.2	-46.3	-176.2	174.4	83.1	0	0	0	112.2	A16 V17 Q22 I23 R24	A16-D20 WeakPolarHBondContact O-CA 3.25Å; A16-D20 PolarHBondContact O-N 2.87Å; V17-D20 PolarHBondContact O-N 3.15Å; D20-Q22 PolarHBondContact O-N 2.81Å; D20-I23 PolarHBondContact O-N 3.43Å; D20-R24 WeakPolarHBondContact O-CG 3.36Å; D20-R24 PolarHBondContact O-N 2.95Å; D20-R24 VanDerWaalsContact O-N 3.16Å; D20-R24 IonicContact OD1-CZ 2.67Å; D20-R24 IonicContact OD1-NE 3.4Å; D20-R24 PolarHBondContact OD1-NE 3.3Å; D20-R24 IonicContact OD1-NH2 2.78Å; D20-R24 PolarHBondContact OD1-NH2 3.44Å; D20-R24 IonicContact OD2-CZ 3.61Å; D20-R24 IonicContact OD2-NE 2.93Å; D20-R24 PolarHBondContact OD2-NE 3.18Å; D20-R24 IonicContact OD2-NH2 2.62Å; D20-R24 PolarHBondContact OD2-NH2 2.71Å; D20-R24 VanDerWaalsContact OD2-NH2 3.15Å
21	R	92.2	Very high	88.5	Confident	195 Å²	195	76.5 Å²	76.5	74%	0.736	37%	0.369	S	S	*	.	H	α-helix	trans	-66.2	-39.8	-177.1	-65.8	-59.4	-174.4	175	-1.3	113	Y19 R24	Y19-R21 VanDerWaalsContact C-N 3.31Å; Y19-R21 PolarHBondContact O-N 3.18Å; R21-R24 WeakPolarHBondContact O-CB 3.11Å; R21-R24 PolarHBondContact O-N 3.48Å
22	Q	89.3	Confident	89	Confident	32 Å²	32	76.3 Å²	76.3	15%	0.15	37%	0.369	C	S	.	.	H	α-helix	trans	-79	-32.2	179.7	65.1	-170.6	71.4	0	0	112.5	Y19 D20 R24 I25 W26 L57 A58	Y19-Q22 VanDerWaalsContact CD1-CD 3.43Å; Y19-Q22 HydrophobicContact CD1-CG 4.35Å; Y19-Q22 HydrophobicContact CG-CG 4.4Å; Y19-Q22 WeakPolarHBondContact O-CG 3.31Å; Y19-Q22 PolarHBondContact O-N 3.11Å; D20-Q22 PolarHBondContact O-N 2.81Å; Q22-R24 PolarHBondContact O-N 2.9Å; Q22-I25 WeakPolarHBondContact O-CA 3.36Å; Q22-I25 WeakPolarHBondContact O-CB 3.26Å; Q22-I25 PolarHBondContact O-N 3.42Å; Q22-W26 HydrophobicContact CB-CH2 3.92Å; Q22-W26 HydrophobicContact CB-CZ2 3.44Å; Q22-W26 VanDerWaalsContact CB-CZ2 3.44Å; Q22-W26 HydrophobicContact CG-CZ2 3.83Å; Q22-W26 PolarHBondContact O-N 2.93Å; Q22-W26 VanDerWaalsContact O-N 3.15Å; Q22-W26 PolarHBondContact O-NE1 3.28Å; Q22-L57 PolarHBondContact OE1-O 3.18Å; Q22-A58 PolarHBondContact NE2-O 3.45Å
23	I	87.5	Confident	89.2	Confident	35 Å²	35	77 Å²	77	18%	0.179	37%	0.365	C	S	.	.	H	α-helix	trans	-59.4	-34.2	170.2	-71.5	165	0	0	0	110.8	L11 Y19 D20 I25 G27 Q31	L11-I23 HydrophobicContact CD2-CD1 3.98Å; Y19-I23 WeakPolarHBondContact O-CB 3.16Å; Y19-I23 WeakPolarHBondContact O-CD1 3.43Å; Y19-I23 WeakPolarHBondContact O-CG1 3.38Å; Y19-I23 PolarHBondContact O-N 3.41Å; D20-I23 PolarHBondContact O-N 3.43Å; I23-I25 PolarHBondContact O-N 3.31Å; I23-G27 CarbonylContact O-C 3.55Å; I23-G27 WeakPolarHBondContact O-CA 3.49Å; I23-G27 PolarHBondContact O-N 3.5Å; I23-Q31 HydrophobicContact CD1-CG 4.27Å; I23-Q31 HydrophobicContact CG1-CB 3.75Å; I23-Q31 HydrophobicContact CG1-CG 3.8Å
24	R	88.1	Confident	89.4	Confident	166 Å²	166	68.3 Å²	68.3	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-66.4	-22.4	174	-67.7	167.5	-168.4	-78.9	-10.5	113.4	D20 R21 Q22	D20-R24 WeakPolarHBondContact O-CG 3.36Å; D20-R24 PolarHBondContact O-N 2.95Å; D20-R24 VanDerWaalsContact O-N 3.16Å; D20-R24 IonicContact OD1-CZ 2.67Å; D20-R24 IonicContact OD1-NE 3.4Å; D20-R24 PolarHBondContact OD1-NE 3.3Å; D20-R24 IonicContact OD1-NH2 2.78Å; D20-R24 PolarHBondContact OD1-NH2 3.44Å; D20-R24 IonicContact OD2-CZ 3.61Å; D20-R24 IonicContact OD2-NE 2.93Å; D20-R24 PolarHBondContact OD2-NE 3.18Å; D20-R24 IonicContact OD2-NH2 2.62Å; D20-R24 PolarHBondContact OD2-NH2 2.71Å; D20-R24 VanDerWaalsContact OD2-NH2 3.15Å; R21-R24 WeakPolarHBondContact O-CB 3.11Å; R21-R24 PolarHBondContact O-N 3.48Å; Q22-R24 PolarHBondContact O-N 2.9Å
25	I	86.6	Confident	89.5	Confident	118 Å²	118	63.2 Å²	63.2	61%	0.605	30%	0.304	S	S	*	.	H	α-helix	trans	-85.3	-58.1	-179.1	-59.6	171	0	0	0	110.4	Q22 I23	Q22-I25 WeakPolarHBondContact O-CA 3.36Å; Q22-I25 WeakPolarHBondContact O-CB 3.26Å; Q22-I25 PolarHBondContact O-N 3.42Å; I23-I25 PolarHBondContact O-N 3.31Å
26	W	84.5	Confident	89.6	Confident	73 Å²	73	63.6 Å²	63.6	28%	0.277	30%	0.304	S	S	.	.	H	α-helix	trans	-107.7	5.7	-174	47.3	60.3	0	0	0	114.7	Q22 I34 T297 T301	Q22-W26 HydrophobicContact CB-CH2 3.92Å; Q22-W26 HydrophobicContact CB-CZ2 3.44Å; Q22-W26 VanDerWaalsContact CB-CZ2 3.44Å; Q22-W26 HydrophobicContact CG-CZ2 3.83Å; Q22-W26 PolarHBondContact O-N 2.93Å; Q22-W26 VanDerWaalsContact O-N 3.15Å; Q22-W26 PolarHBondContact O-NE1 3.28Å; W26-I34 HydrophobicContact CD2-CD1 4.04Å; W26-I34 HydrophobicContact CH2-CD1 4.12Å; W26-I34 HydrophobicContact CZ2-CD1 3.37Å; W26-T297 HydrophobicContact CE3-CG2 4Å; W26-T297 HydrophobicContact CH2-CG2 3.56Å; W26-T297 HydrophobicContact CZ2-CG2 4.07Å; W26-T297 HydrophobicContact CZ3-CG2 3.53Å; W26-T301 HydrophobicContact CB-CG2 4.02Å; W26-T301 HydrophobicContact CD2-CG2 4.25Å; W26-T301 HydrophobicContact CG-CG2 3.98Å
27	G	86.2	Confident	89.9	Confident	30 Å²	30	61.8 Å²	61.8	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	74.6	166.9	179.5	0	0	0	0	0	113.7	I23 K29 G30 Q31	I23-G27 CarbonylContact O-C 3.55Å; I23-G27 WeakPolarHBondContact O-CA 3.49Å; I23-G27 PolarHBondContact O-N 3.5Å; G27-K29 VanDerWaalsContact C-N 3.32Å; G27-K29 PolarHBondContact O-N 2.99Å; G27-G30 PolarHBondContact O-N 3.04Å; G27-Q31 PolarHBondContact O-N 3.39Å
28	F	85.9	Confident	90.2	Very high	88 Å²	88	57.3 Å²	57.3	39%	0.386	26%	0.262	S	S	.	.	H	α-helix	trans	-58	-42.6	178.7	-178.7	-88.7	0	0	0	112.6	L11 G30 Q31 S32	L11-F28 HydrophobicContact CB-CE2 4.27Å; L11-F28 HydrophobicContact CD1-CD2 3.64Å; L11-F28 HydrophobicContact CD1-CE1 4.33Å; L11-F28 HydrophobicContact CD1-CE2 3.15Å; L11-F28 HydrophobicContact CD1-CG 4.41Å; L11-F28 HydrophobicContact CD1-CZ 3.55Å; L11-F28 HydrophobicContact CG-CE2 4.28Å; F28-G30 PolarHBondContact O-N 3.26Å; F28-Q31 PolarHBondContact O-N 3.46Å; F28-S32 WeakPolarHBondContact O-CB 3.41Å; F28-S32 PolarHBondContact O-N 3.29Å
29	K	85.9	Confident	90.4	Very high	140 Å²	140	52.9 Å²	52.9	61%	0.609	24%	0.239	S	C	*	.	H	α-helix	trans	-63.4	-40.6	178.4	-68	-170.8	176	-170.4	0	112.3	G27 S32 R33	G27-K29 VanDerWaalsContact C-N 3.32Å; G27-K29 PolarHBondContact O-N 2.99Å; K29-S32 PolarHBondContact O-N 3.14Å; K29-R33 WeakPolarHBondContact O-CG 3.34Å; K29-R33 PolarHBondContact O-N 3.5Å; K29-R33 VanDerWaalsContact O-N 3.14Å
30	G	87.9	Confident	90.6	Very high	4 Å²	4	52.7 Å²	52.7	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-47.6	174.7	0	0	0	0	0	111	G27 F28 S32 R33 I34	G27-G30 PolarHBondContact O-N 3.04Å; F28-G30 PolarHBondContact O-N 3.26Å; G30-S32 PolarHBondContact O-N 3.13Å; G30-R33 PolarHBondContact O-N 3.35Å; G30-I34 WeakPolarHBondContact O-CG1 3.5Å; G30-I34 PolarHBondContact O-N 3.36Å; G30-I34 VanDerWaalsContact O-N 3.12Å
31	Q	90.3	Very high	91	Very high	0 Å²	0	50 Å²	50	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-42.6	177.5	-172.3	59.2	33.9	0	0	112.6	L11 Y19 I23 G27 F28 R33 I34 M35 A58	L11-Q31 HydrophobicContact CD2-CG 4Å; Y19-Q31 HydrophobicContact CD2-CG 4.39Å; I23-Q31 HydrophobicContact CD1-CG 4.27Å; I23-Q31 HydrophobicContact CG1-CB 3.75Å; I23-Q31 HydrophobicContact CG1-CG 3.8Å; G27-Q31 PolarHBondContact O-N 3.39Å; F28-Q31 PolarHBondContact O-N 3.46Å; Q31-R33 VanDerWaalsContact C-N 3.29Å; Q31-R33 PolarHBondContact O-N 2.94Å; Q31-I34 WeakPolarHBondContact O-CB 3.39Å; Q31-I34 PolarHBondContact O-N 3.15Å; Q31-M35 HydrophobicContact CG-CG 4.36Å; Q31-M35 HydrophobicContact CG-SD 3.89Å; Q31-M35 WeakPolarHBondContact O-CG 3.41Å; Q31-M35 PolarHBondContact O-N 2.93Å; Q31-A58 PolarHBondContact NE2-O 3.46Å
32	S	90.1	Very high	91.2	Very high	17 Å²	17	40.8 Å²	40.8	12%	0.119	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-40.2	177.2	-176	0	0	0	0	111.8	F28 K29 G30 M35 K36	F28-S32 WeakPolarHBondContact O-CB 3.41Å; F28-S32 PolarHBondContact O-N 3.29Å; K29-S32 PolarHBondContact O-N 3.14Å; G30-S32 PolarHBondContact O-N 3.13Å; S32-M35 PolarHBondContact O-N 3.3Å; S32-K36 WeakPolarHBondContact O-CG 3.15Å; S32-K36 PolarHBondContact O-N 3.45Å
33	R	90.6	Very high	91.6	Very high	60 Å²	60	39.4 Å²	39.4	23%	0.226	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-42.5	175.1	-68.2	171.3	-174.7	-172.3	-5.5	112.4	K29 G30 Q31 M35 K36 S37 I300 T301 V302 I308	K29-R33 WeakPolarHBondContact O-CG 3.34Å; K29-R33 PolarHBondContact O-N 3.5Å; K29-R33 VanDerWaalsContact O-N 3.14Å; G30-R33 PolarHBondContact O-N 3.35Å; Q31-R33 VanDerWaalsContact C-N 3.29Å; Q31-R33 PolarHBondContact O-N 2.94Å; R33-M35 PolarHBondContact O-N 3.47Å; R33-K36 PolarHBondContact O-N 3.25Å; R33-S37 PolarHBondContact O-N 3.16Å; R33-S37 PolarHBondContact O-OG 3.45Å; R33-I300 HydrophobicContact CB-CG2 4.21Å; R33-T301 WeakPolarHBondContact CD-O 3.45Å; R33-T301 PolarHBondContact NH1-O 3.01Å; R33-V302 PolarHBondContact NH1-O 2.87Å; R33-V302 VanDerWaalsContact NH1-O 3.16Å; R33-I308 HydrophobicContact CB-CD1 4.17Å; R33-I308 HydrophobicContact CG-CD1 4.24Å
34	I	92.9	Very high	92	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.8	-50.5	174.6	-63	165.9	0	0	0	110	W26 G30 Q31 K36 S37 A58 I60 T297 I300 T301	W26-I34 HydrophobicContact CD2-CD1 4.04Å; W26-I34 HydrophobicContact CH2-CD1 4.12Å; W26-I34 HydrophobicContact CZ2-CD1 3.37Å; G30-I34 WeakPolarHBondContact O-CG1 3.5Å; G30-I34 PolarHBondContact O-N 3.36Å; G30-I34 VanDerWaalsContact O-N 3.12Å; Q31-I34 WeakPolarHBondContact O-CB 3.39Å; Q31-I34 PolarHBondContact O-N 3.15Å; I34-K36 PolarHBondContact O-N 3.46Å; I34-S37 VanDerWaalsContact O-CB 3.27Å; I34-S37 WeakPolarHBondContact O-CB 3.49Å; I34-S37 PolarHBondContact O-N 2.82Å; I34-A58 HydrophobicContact CG2-CB 4.36Å; I34-A58 WeakPolarHBondContact CG2-O 3.28Å; I34-I60 HydrophobicContact CG2-CG2 3.92Å; I34-I60 WeakPolarHBondContact O-CA 3.23Å; I34-T297 HydrophobicContact CD1-CG2 3.4Å; I34-T297 VanDerWaalsContact CD1-CG2 3.4Å; I34-T297 HydrophobicContact CG1-CG2 4.04Å; I34-I300 HydrophobicContact CB-CG2 4.45Å; I34-I300 HydrophobicContact CG1-CG2 3.95Å; I34-T301 HydrophobicContact CD1-CG2 3.61Å; I34-T301 HydrophobicContact CG1-CG2 3.79Å
35	M	93.6	Very high	92.3	Very high	34 Å²	34	30.7 Å²	30.7	17%	0.167	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.8	-179.2	-69.4	174.7	63.1	0	0	115	L11 E15 Y19 Q31 S32 R33 G59 R61	L11-M35 HydrophobicContact CD1-SD 4.18Å; L11-M35 HydrophobicContact CD2-CE 4.17Å; L11-M35 HydrophobicContact CD2-SD 3.43Å; L11-M35 WeakPolarHBondContact CD2-SD 3.3Å; L11-M35 HydrophobicContact CG-CE 3.96Å; L11-M35 HydrophobicContact CG-SD 3.58Å; L11-M35 VanDerWaalsContact CG-SD 3.58Å; E15-M35 HydrophobicContact CB-CE 4.31Å; E15-M35 VanDerWaalsContact CD-CE 3.43Å; E15-M35 HydrophobicContact CG-CE 4.2Å; E15-M35 WeakPolarHBondContact OE1-CE 3.44Å; Y19-M35 HydrophobicContact CD2-SD 4.13Å; Y19-M35 HydrophobicContact CE2-CE 4.48Å; Y19-M35 HydrophobicContact CE2-CG 4.46Å; Y19-M35 HydrophobicContact CE2-SD 4.07Å; Q31-M35 HydrophobicContact CG-CG 4.36Å; Q31-M35 HydrophobicContact CG-SD 3.89Å; Q31-M35 WeakPolarHBondContact O-CG 3.41Å; Q31-M35 PolarHBondContact O-N 2.93Å; S32-M35 PolarHBondContact O-N 3.3Å; R33-M35 PolarHBondContact O-N 3.47Å; M35-G59 WeakPolarHBondContact CA-O 3.35Å; M35-G59 VanDerWaalsContact CG-O 3.26Å; M35-G59 WeakPolarHBondContact CG-O 3.15Å; M35-R61 WeakPolarHBondContact O-CB 3.28Å; M35-R61 WeakPolarHBondContact O-CG 3.27Å
36	K	93.3	Very high	92.6	Very high	44 Å²	44	25.7 Å²	25.7	19%	0.191	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	0.9	172.6	-65.1	-174.6	-178.6	-158.5	0	112.9	S32 R33 I34 I308 D310	S32-K36 WeakPolarHBondContact O-CG 3.15Å; S32-K36 PolarHBondContact O-N 3.45Å; R33-K36 PolarHBondContact O-N 3.25Å; I34-K36 PolarHBondContact O-N 3.46Å; K36-I308 HydrophobicContact CB-CD1 4.16Å; K36-I308 HydrophobicContact CB-CG1 4.48Å; K36-I308 HydrophobicContact CB-CG2 3.39Å; K36-I308 HydrophobicContact CD-CB 4.47Å; K36-I308 HydrophobicContact CD-CG2 3.19Å; K36-I308 HydrophobicContact CG-CG2 3.89Å; K36-D310 PolarHBondContact NZ-OXT 3.25Å; K36-D310 VanDerWaalsContact NZ-OXT 3.14Å
37	S	94.5	Very high	93.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.			trans	-87.8	136.5	-176.9	-62.4	0	0	0	0	113.1	R33 I34 R61 R62 I300	R33-S37 PolarHBondContact O-N 3.16Å; R33-S37 PolarHBondContact O-OG 3.45Å; I34-S37 VanDerWaalsContact O-CB 3.27Å; I34-S37 WeakPolarHBondContact O-CB 3.49Å; I34-S37 PolarHBondContact O-N 2.82Å; S37-R61 VanDerWaalsContact O-CB 3.28Å; S37-R61 WeakPolarHBondContact O-CB 3.15Å; S37-R61 PolarHBondContact O-N 3.35Å; S37-R62 PolarHBondContact O-N 3.13Å; S37-I300 WeakPolarHBondContact OG-CG2 3.37Å
38	D	97	Very high	93.6	Very high	15 Å²	15	20.9 Å²	20.9	8%	0.08	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.1	175.8	-65.9	-58.6	0	0	0	110.7	R61 R62 Y126 T127 I128	D38-R61 IonicContact OD1-CZ 3.85Å; D38-R61 IonicContact OD1-NE 2.73Å; D38-R61 PolarHBondContact OD1-NE 2.79Å; D38-R61 IonicContact OD1-NH1 3.42Å; D38-R61 PolarHBondContact OD1-NH1 3.24Å; D38-R61 IonicContact OD1-NH2 3.7Å; D38-R61 PolarHBondContact OD1-NH2 3.08Å; D38-R61 IonicContact OD2-CZ 3.45Å; D38-R61 IonicContact OD2-NE 3.98Å; D38-R61 IonicContact OD2-NH2 3.12Å; D38-R61 PolarHBondContact OD2-NH2 2.79Å; D38-R62 WeakPolarHBondContact OD1-CB 3.29Å; D38-R62 IonicContact OD1-CZ 3.15Å; D38-R62 IonicContact OD1-NE 3.13Å; D38-R62 PolarHBondContact OD1-NE 3.41Å; D38-R62 IonicContact OD1-NH1 3.49Å; D38-R62 IonicContact OD1-NH2 3.58Å; D38-R62 PolarHBondContact OD1-NH2 2.88Å; D38-R62 VanDerWaalsContact OD1-NH2 3.1Å; D38-R62 IonicContact OD2-CZ 2.8Å; D38-R62 IonicContact OD2-NH2 2.87Å; D38-R62 PolarHBondContact OD2-NH2 2.91Å; D38-Y126 HydrophobicContact CB-CD1 4.03Å; D38-T127 PolarHBondContact N-OG1 3.34Å; D38-T127 WeakPolarHBondContact O-CB 3.34Å; D38-T127 PolarHBondContact O-N 2.93Å; D38-I128 PolarHBondContact O-N 3.22Å
39	V	97.4	Very high	94.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.6	-174.3	-175	0	0	0	0	111	L55 I60 R62 L63 T64 Y126 I128 I130	V39-L55 HydrophobicContact CG1-CD1 3.97Å; V39-I60 HydrophobicContact CB-CD1 3.83Å; V39-I60 HydrophobicContact CG2-CB 4.49Å; V39-I60 HydrophobicContact CG2-CD1 3.54Å; V39-I60 HydrophobicContact CG2-CG2 4.25Å; V39-R62 PolarHBondContact N-O 2.86Å; V39-L63 HydrophobicContact CB-CD1 4.1Å; V39-L63 HydrophobicContact CG1-CD1 4.09Å; V39-T64 PolarHBondContact O-N 3.21Å; V39-Y126 VanDerWaalsContact C-CD1 3.47Å; V39-I128 WeakPolarHBondContact CA-O 3.01Å; V39-I128 HydrophobicContact CB-CG2 4.27Å; V39-I128 HydrophobicContact CG1-CG2 4.08Å; V39-I128 HydrophobicContact CG2-CG2 3.68Å; V39-I130 HydrophobicContact CG1-CD1 3.54Å; V39-I130 HydrophobicContact CG1-CG1 4.13Å
40	L	98.1	Very high	94.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.5	163.9	177.7	62.8	0	0	0	108.8	V42 T64 L66 L118 Y126 I128 V129 I130	L40-V42 HydrophobicContact CD2-CG2 4.33Å; L40-V42 HydrophobicContact CG-CG2 4.09Å; L40-T64 HydrophobicContact CD1-CG2 4Å; L40-L66 HydrophobicContact CD1-CB 4.3Å; L40-L118 HydrophobicContact CD2-CD2 4.35Å; L40-Y126 HydrophobicContact CB-CD1 3.85Å; L40-Y126 HydrophobicContact CB-CD2 3.61Å; L40-Y126 HydrophobicContact CB-CE1 3.98Å; L40-Y126 HydrophobicContact CB-CE2 3.73Å; L40-Y126 HydrophobicContact CB-CG 3.67Å; L40-Y126 HydrophobicContact CD1-CE2 4.14Å; L40-Y126 HydrophobicContact CD2-CD2 4.1Å; L40-Y126 HydrophobicContact CD2-CE2 3.97Å; L40-Y126 HydrophobicContact CG-CD2 4.37Å; L40-Y126 HydrophobicContact CG-CE2 4.16Å; L40-I128 PolarHBondContact N-O 3.36Å; L40-I128 VanDerWaalsContact N-O 3.11Å; L40-V129 HydrophobicContact CB-CG1 4.42Å; L40-V129 HydrophobicContact CB-CG2 4.23Å; L40-V129 HydrophobicContact CD2-CG1 4.1Å; L40-V129 HydrophobicContact CD2-CG2 4.28Å; L40-V129 HydrophobicContact CG-CG1 4.39Å; L40-I130 PolarHBondContact O-N 2.82Å
41	L	98.2	Very high	95.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	115.4	176.3	180	65	0	0	0	110.2	L44 G48 A52 L63 T64 L65 L66 I130 T132	L41-L44 HydrophobicContact CD2-CD1 4.35Å; L41-L44 HydrophobicContact CD2-CD2 4.49Å; L41-L44 HydrophobicContact CG-CD2 4.41Å; L41-G48 WeakPolarHBondContact CD2-O 3.48Å; L41-A52 HydrophobicContact CD2-CB 3.64Å; L41-L63 HydrophobicContact CB-CD1 3.91Å; L41-L63 HydrophobicContact CD2-CD1 4.49Å; L41-T64 PolarHBondContact N-O 2.88Å; L41-L65 HydrophobicContact CB-CD2 4.36Å; L41-L65 HydrophobicContact CD2-CD2 4.16Å; L41-L66 PolarHBondContact O-N 3.1Å; L41-I130 WeakPolarHBondContact CA-O 3.31Å; L41-I130 HydrophobicContact CD1-CB 3.86Å; L41-I130 HydrophobicContact CD1-CG2 3.74Å; L41-T132 HydrophobicContact CD1-CG2 3.83Å
42	V	98.1	Very high	95.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128	-178.9	178.2	0	0	0	0	109.8	L40 L66 V115 L118 I130 L131 T132 Q134	L40-V42 HydrophobicContact CD2-CG2 4.33Å; L40-V42 HydrophobicContact CG-CG2 4.09Å; V42-L66 CarbonylContact C-O 3.53Å; V42-L66 WeakPolarHBondContact CA-O 3.29Å; V42-L66 HydrophobicContact CG1-CD2 4.23Å; V42-L66 HydrophobicContact CG2-CB 4.18Å; V42-L66 HydrophobicContact CG2-CD1 4.24Å; V42-V115 HydrophobicContact CG1-CB 4.1Å; V42-V115 HydrophobicContact CG1-CG2 3.67Å; V42-L118 HydrophobicContact CG2-CD1 4.3Å; V42-I130 PolarHBondContact N-O 3.15Å; V42-L131 HydrophobicContact CB-CD1 3.8Å; V42-L131 HydrophobicContact CB-CG 3.8Å; V42-L131 HydrophobicContact CG1-CD1 4.41Å; V42-L131 HydrophobicContact CG1-CG 4.01Å; V42-L131 HydrophobicContact CG2-CD1 3.71Å; V42-L131 HydrophobicContact CG2-CG 4.23Å; V42-T132 PolarHBondContact O-N 3.47Å; V42-T132 PolarHBondContact O-OG1 3.28Å; V42-Q134 HydrophobicContact CG1-CG 3.9Å
43	G	96.5	Very high	95.8	Very high	3 Å²	3	12.6 Å²	12.6	3%	0.031	6%	0.064	C	C	.	.			trans	84.4	118	-174.8	0	0	0	0	0	111.6	G48 L66 T132	G43-G48 WeakPolarHBondContact O-CA 3.46Å; G43-L66 PolarHBondContact N-O 3.32Å; G43-T132 PolarHBondContact O-OG1 2.99Å
44	L	96.1	Very high	96.1	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.062	C	C	.	.			trans	-118.6	37.9	179.7	-86.3	-64.7	0	0	0	110.3	L41 A52 L65 D67 L81 R91	L41-L44 HydrophobicContact CD2-CD1 4.35Å; L41-L44 HydrophobicContact CD2-CD2 4.49Å; L41-L44 HydrophobicContact CG-CD2 4.41Å; L44-A52 HydrophobicContact CD1-CB 4.42Å; L44-L65 HydrophobicContact CD1-CD1 4.5Å; L44-L65 HydrophobicContact CD1-CD2 4.19Å; L44-L65 HydrophobicContact CD2-CB 4.02Å; L44-L65 HydrophobicContact CD2-CD2 4.12Å; L44-L65 HydrophobicContact CG-CD2 4.48Å; L44-D67 WeakPolarHBondContact CA-OD2 3.33Å; L44-D67 HydrophobicContact CB-CB 3.84Å; L44-D67 HydrophobicContact CD2-CB 4.15Å; L44-D67 HydrophobicContact CG-CB 4.41Å; L44-D67 PolarHBondContact N-OD2 3.24Å; L44-L81 HydrophobicContact CD1-CD1 4.07Å; L44-R91 HydrophobicContact CB-CB 4.32Å
45	G	93.8	Very high	96.3	Very high	18 Å²	18	11.4 Å²	11.4	19%	0.186	6%	0.062	C	C	.	.	S	Bend	trans	-65.6	-173.8	157.8	0	0	0	0	0	111	L47 G48 A49	G45-L47 VanDerWaalsContact C-N 3.3Å; G45-L47 PolarHBondContact O-N 3.46Å; G45-G48 WeakPolarHBondContact O-CA 3.43Å; G45-G48 PolarHBondContact O-N 3.47Å; G45-A49 PolarHBondContact O-N 3.36Å
46	A	93.3	Very high	96.5	Very high	13 Å²	13	9.8 Å²	9.8	11%	0.107	5%	0.054	C	C	.	.	H	α-helix	trans	-56.5	-39.8	-176.8	0	0	0	0	0	113.8	E50 Q78 I285	A46-E50 PolarHBondContact O-N 3.28Å; A46-E50 VanDerWaalsContact O-N 3.14Å; A46-Q78 HydrophobicContact CB-CB 4.08Å; A46-Q78 WeakPolarHBondContact CB-O 3.18Å; A46-I285 HydrophobicContact CB-CD1 3.36Å; A46-I285 HydrophobicContact CB-CG2 4.41Å; A46-I285 WeakPolarHBondContact O-CG2 3.29Å
47	L	94.6	Very high	96.6	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-39.8	175.1	-173.7	59.8	0	0	0	112.9	G45 S51 T132 L156 L158 I285 I288	G45-L47 VanDerWaalsContact C-N 3.3Å; G45-L47 PolarHBondContact O-N 3.46Å; L47-S51 WeakPolarHBondContact O-CB 3.3Å; L47-S51 PolarHBondContact O-N 3.13Å; L47-S51 PolarHBondContact O-OG 3.06Å; L47-T132 HydrophobicContact CG-CG2 4.5Å; L47-L156 HydrophobicContact CD2-CB 3.77Å; L47-L158 HydrophobicContact CD2-CB 4.33Å; L47-I285 HydrophobicContact CB-CG2 4.23Å; L47-I285 HydrophobicContact CD1-CG2 4.11Å; L47-I288 HydrophobicContact CD1-CB 4.24Å; L47-I288 HydrophobicContact CD1-CG2 4.01Å
48	G	96.8	Very high	96.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.6	-47.6	173.6	0	0	0	0	0	112.4	L41 G43 G45 E50 S51 A52 T132	L41-G48 WeakPolarHBondContact CD2-O 3.48Å; G43-G48 WeakPolarHBondContact O-CA 3.46Å; G45-G48 WeakPolarHBondContact O-CA 3.43Å; G45-G48 PolarHBondContact O-N 3.47Å; G48-E50 PolarHBondContact O-N 3.36Å; G48-S51 PolarHBondContact O-N 3.34Å; G48-S51 VanDerWaalsContact O-N 3.15Å; G48-A52 WeakPolarHBondContact O-CB 3.1Å; G48-A52 PolarHBondContact O-N 3.47Å; G48-T132 VanDerWaalsContact CA-OG1 3.31Å; G48-T132 WeakPolarHBondContact CA-OG1 3.41Å; G48-T132 PolarHBondContact N-OG1 3.48Å
49	A	97	Very high	96.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-45.1	179.2	0	0	0	0	0	112.8	G45 S51 A52 K53 S79 I80 L81	G45-A49 PolarHBondContact O-N 3.36Å; A49-S51 VanDerWaalsContact C-N 3.3Å; A49-S51 PolarHBondContact O-N 3.22Å; A49-A52 PolarHBondContact O-N 2.89Å; A49-K53 PolarHBondContact O-N 3.03Å; A49-S79 VanDerWaalsContact CB-OG 3.27Å; A49-S79 WeakPolarHBondContact CB-OG 3.27Å; A49-I80 HydrophobicContact CB-CG1 4.3Å; A49-L81 HydrophobicContact CB-CD1 3.89Å; A49-L81 HydrophobicContact CB-CG 4.04Å
50	E	96.8	Very high	96.6	Very high	24 Å²	24	11.9 Å²	11.9	11%	0.112	7%	0.068	C	C	.	.	H	α-helix	trans	-63.6	-36.9	174.6	-77	-66.7	154.7	0	0	112.2	A46 G48 K53 N54 I285 S289	A46-E50 PolarHBondContact O-N 3.28Å; A46-E50 VanDerWaalsContact O-N 3.14Å; G48-E50 PolarHBondContact O-N 3.36Å; E50-K53 WeakPolarHBondContact O-CB 3.46Å; E50-K53 PolarHBondContact O-N 2.91Å; E50-K53 WeakPolarHBondContact OE2-CE 3.41Å; E50-K53 IonicContact OE2-NZ 3.1Å; E50-K53 PolarHBondContact OE2-NZ 3.1Å; E50-N54 PolarHBondContact O-N 3.31Å; E50-N54 PolarHBondContact O-ND2 3.36Å; E50-I285 HydrophobicContact CB-CG2 4.06Å; E50-I285 HydrophobicContact CG-CG2 3.72Å; E50-S289 PolarHBondContact O-OG 2.52Å
51	S	97	Very high	96.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-70.6	-40.9	178.4	-54.7	0	0	0	0	111.5	L47 G48 A49 K53 N54 L55 S289	L47-S51 WeakPolarHBondContact O-CB 3.3Å; L47-S51 PolarHBondContact O-N 3.13Å; L47-S51 PolarHBondContact O-OG 3.06Å; G48-S51 PolarHBondContact O-N 3.34Å; G48-S51 VanDerWaalsContact O-N 3.15Å; A49-S51 VanDerWaalsContact C-N 3.3Å; A49-S51 PolarHBondContact O-N 3.22Å; S51-K53 VanDerWaalsContact C-N 3.34Å; S51-K53 PolarHBondContact O-N 3.44Å; S51-N54 PolarHBondContact O-N 2.93Å; S51-L55 WeakPolarHBondContact O-CB 3.2Å; S51-L55 WeakPolarHBondContact O-CD1 3.36Å; S51-L55 WeakPolarHBondContact O-CG 3.4Å; S51-L55 PolarHBondContact O-N 3.17Å; S51-S289 WeakPolarHBondContact CA-OG 3.38Å; S51-S289 PolarHBondContact N-OG 2.99Å; S51-S289 PolarHBondContact OG-OG 3.28Å; S51-S289 VanDerWaalsContact OG-OG 3.06Å
52	A	97.9	Very high	96.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.5	-47.7	171.3	0	0	0	0	0	111	L41 L44 G48 A49 N54 L55 L56 L63 L81	L41-A52 HydrophobicContact CD2-CB 3.64Å; L44-A52 HydrophobicContact CD1-CB 4.42Å; G48-A52 WeakPolarHBondContact O-CB 3.1Å; G48-A52 PolarHBondContact O-N 3.47Å; A49-A52 PolarHBondContact O-N 2.89Å; A52-N54 PolarHBondContact O-N 3.5Å; A52-L55 PolarHBondContact O-N 3.12Å; A52-L56 WeakPolarHBondContact O-CB 3.36Å; A52-L56 WeakPolarHBondContact O-CD1 3.34Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 3.37Å; A52-L63 HydrophobicContact CB-CD2 3.99Å; A52-L81 HydrophobicContact CB-CD1 3.99Å
53	K	97.5	Very high	96.5	Very high	50 Å²	50	17.4 Å²	17.4	22%	0.217	9%	0.089	C	C	.	.	H	α-helix	trans	-55.6	-51.6	176.2	177.5	-153.1	69.3	-171.5	0	111.8	A49 E50 S51 L55 L56 L57 I80 M102	A49-K53 PolarHBondContact O-N 3.03Å; E50-K53 WeakPolarHBondContact O-CB 3.46Å; E50-K53 PolarHBondContact O-N 2.91Å; E50-K53 WeakPolarHBondContact OE2-CE 3.41Å; E50-K53 IonicContact OE2-NZ 3.1Å; E50-K53 PolarHBondContact OE2-NZ 3.1Å; S51-K53 VanDerWaalsContact C-N 3.34Å; S51-K53 PolarHBondContact O-N 3.44Å; K53-L55 VanDerWaalsContact C-N 3.31Å; K53-L55 PolarHBondContact O-N 3.43Å; K53-L56 PolarHBondContact O-N 3.27Å; K53-L57 HydrophobicContact CD-CD1 4.31Å; K53-L57 HydrophobicContact CG-CD1 3.88Å; K53-L57 HydrophobicContact CG-CG 4.39Å; K53-L57 WeakPolarHBondContact O-CB 3.44Å; K53-L57 VanDerWaalsContact O-CG 3.3Å; K53-L57 WeakPolarHBondContact O-CG 3.42Å; K53-L57 PolarHBondContact O-N 3.14Å; K53-I80 HydrophobicContact CB-CD1 3.5Å; K53-I80 HydrophobicContact CD-CD1 3.57Å; K53-I80 HydrophobicContact CG-CD1 3.85Å; K53-M102 HydrophobicContact CB-CE 3.97Å; K53-M102 HydrophobicContact CB-SD 3.84Å; K53-M102 HydrophobicContact CG-CE 3.75Å; K53-M102 HydrophobicContact CG-SD 3.53Å; K53-M102 VanDerWaalsContact CG-SD 3.53Å
54	N	97.2	Very high	96.6	Very high	35 Å²	35	17.6 Å²	17.6	19%	0.187	9%	0.089	C	C	.	.	H	α-helix	trans	-62.5	-38.9	-178.1	-70.8	-26.4	0	0	0	112.3	E50 S51 A52 A58 S289 G290 C293	E50-N54 PolarHBondContact O-N 3.31Å; E50-N54 PolarHBondContact O-ND2 3.36Å; S51-N54 PolarHBondContact O-N 2.93Å; A52-N54 PolarHBondContact O-N 3.5Å; N54-A58 WeakPolarHBondContact O-CB 3.37Å; N54-A58 PolarHBondContact O-N 3.41Å; N54-S289 PolarHBondContact ND2-OG 2.89Å; N54-G290 PolarHBondContact ND2-N 3.38Å; N54-C293 HydrophobicContact CB-CB 3.6Å
55	L	97.1	Very high	96.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67.7	-42.4	176.7	-68.5	165	0	0	0	112.5	V39 S51 A52 K53 A58 G59 I60 L63 I130 I296	V39-L55 HydrophobicContact CG1-CD1 3.97Å; S51-L55 WeakPolarHBondContact O-CB 3.2Å; S51-L55 WeakPolarHBondContact O-CD1 3.36Å; S51-L55 WeakPolarHBondContact O-CG 3.4Å; S51-L55 PolarHBondContact O-N 3.17Å; A52-L55 PolarHBondContact O-N 3.12Å; K53-L55 VanDerWaalsContact C-N 3.31Å; K53-L55 PolarHBondContact O-N 3.43Å; L55-A58 PolarHBondContact O-N 2.97Å; L55-G59 PolarHBondContact O-N 3.38Å; L55-I60 HydrophobicContact CB-CD1 3.9Å; L55-L63 HydrophobicContact CD1-CD1 4.16Å; L55-I130 HydrophobicContact CD1-CD1 3.67Å; L55-I130 HydrophobicContact CD2-CD1 4.26Å; L55-I296 HydrophobicContact CD2-CG2 4.42Å
56	L	97.5	Very high	96.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.6	-46.5	175.7	-72.4	162.6	0	0	0	111.1	A52 K53 A58 G59 L63 C99 M102 N103 V106 V108	A52-L56 WeakPolarHBondContact O-CB 3.36Å; A52-L56 WeakPolarHBondContact O-CD1 3.34Å; A52-L56 WeakPolarHBondContact O-CG 3.48Å; A52-L56 PolarHBondContact O-N 3.37Å; K53-L56 PolarHBondContact O-N 3.27Å; L56-A58 VanDerWaalsContact C-N 3.32Å; L56-A58 PolarHBondContact O-N 2.84Å; L56-G59 PolarHBondContact O-N 3.2Å; L56-G59 VanDerWaalsContact O-N 3.1Å; L56-L63 HydrophobicContact CD1-CD2 4.18Å; L56-L63 HydrophobicContact CD2-CD2 4Å; L56-L63 HydrophobicContact CG-CD2 3.82Å; L56-C99 HydrophobicContact CD1-CB 3.7Å; L56-C99 HydrophobicContact CD2-CB 4.45Å; L56-M102 HydrophobicContact CB-CG 4.45Å; L56-M102 HydrophobicContact CB-SD 4Å; L56-M102 HydrophobicContact CD1-CB 4.38Å; L56-M102 HydrophobicContact CD1-SD 3.88Å; L56-N103 HydrophobicContact CB-CB 4.47Å; L56-N103 PolarHBondContact O-ND2 3.31Å; L56-V106 HydrophobicContact CD2-CB 3.9Å; L56-V106 HydrophobicContact CD2-CG1 3.85Å; L56-V106 HydrophobicContact CD2-CG2 4.21Å; L56-V108 HydrophobicContact CD2-CG2 3.81Å
57	L	96.7	Very high	97.1	Very high	89 Å²	89	17.1 Å²	17.1	47%	0.466	8%	0.081	S	C	.	.	H	α-helix	trans	-68.3	-30.3	179	-66.7	178.1	0	0	0	112.6	Q22 K53 G59 M102	Q22-L57 PolarHBondContact OE1-O 3.18Å; K53-L57 HydrophobicContact CD-CD1 4.31Å; K53-L57 HydrophobicContact CG-CD1 3.88Å; K53-L57 HydrophobicContact CG-CG 4.39Å; K53-L57 WeakPolarHBondContact O-CB 3.44Å; K53-L57 VanDerWaalsContact O-CG 3.3Å; K53-L57 WeakPolarHBondContact O-CG 3.42Å; K53-L57 PolarHBondContact O-N 3.14Å; L57-G59 PolarHBondContact O-N 3.42Å; L57-M102 HydrophobicContact CD2-CG 3.99Å; L57-M102 HydrophobicContact CD2-SD 4.37Å; L57-M102 HydrophobicContact CG-CG 4.46Å; L57-M102 HydrophobicContact CG-SD 4.21Å
58	A	95.6	Very high	97.1	Very high	9 Å²	9	19.7 Å²	19.7	7%	0.074	10%	0.097	C	C	.	.	H	α-helix	trans	-66.3	-22.9	172.1	0	0	0	0	0	112.7	Q22 Q31 I34 N54 L55 L56	Q22-A58 PolarHBondContact NE2-O 3.45Å; Q31-A58 PolarHBondContact NE2-O 3.46Å; I34-A58 HydrophobicContact CG2-CB 4.36Å; I34-A58 WeakPolarHBondContact CG2-O 3.28Å; N54-A58 WeakPolarHBondContact O-CB 3.37Å; N54-A58 PolarHBondContact O-N 3.41Å; L55-A58 PolarHBondContact O-N 2.97Å; L56-A58 VanDerWaalsContact C-N 3.32Å; L56-A58 PolarHBondContact O-N 2.84Å
59	G	95.7	Very high	97.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	45.3	176.1	0	0	0	0	0	113.6	Y19 M35 L55 L56 L57	Y19-G59 VanDerWaalsContact OH-CA 3.25Å; Y19-G59 WeakPolarHBondContact OH-CA 3.45Å; M35-G59 WeakPolarHBondContact CA-O 3.35Å; M35-G59 VanDerWaalsContact CG-O 3.26Å; M35-G59 WeakPolarHBondContact CG-O 3.15Å; L55-G59 PolarHBondContact O-N 3.38Å; L56-G59 PolarHBondContact O-N 3.2Å; L56-G59 VanDerWaalsContact O-N 3.1Å; L57-G59 PolarHBondContact O-N 3.42Å
60	I	96.2	Very high	97.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	13%	0.133	C	C	.	.			trans	-62.6	166.5	169.5	59.5	174.4	0	0	0	112	I34 V39 L55 L63 V106	I34-I60 HydrophobicContact CG2-CG2 3.92Å; I34-I60 WeakPolarHBondContact O-CA 3.23Å; V39-I60 HydrophobicContact CB-CD1 3.83Å; V39-I60 HydrophobicContact CG2-CB 4.49Å; V39-I60 HydrophobicContact CG2-CD1 3.54Å; V39-I60 HydrophobicContact CG2-CG2 4.25Å; L55-I60 HydrophobicContact CB-CD1 3.9Å; I60-L63 HydrophobicContact CD1-CB 3.91Å; I60-L63 HydrophobicContact CD1-CD1 4.17Å; I60-V106 HydrophobicContact CG1-CG1 3.89Å; I60-V106 WeakPolarHBondContact O-CG2 3.44Å
61	R	96.5	Very high	97.2	Very high	73 Å²	73	24.7 Å²	24.7	28%	0.275	13%	0.128	S	C	.	.	S	Bend	trans	-72	-52.2	178.8	-158.1	176	59.3	69.6	-10.8	112.3	M35 S37 D38 E107	M35-R61 WeakPolarHBondContact O-CB 3.28Å; M35-R61 WeakPolarHBondContact O-CG 3.27Å; S37-R61 VanDerWaalsContact O-CB 3.28Å; S37-R61 WeakPolarHBondContact O-CB 3.15Å; S37-R61 PolarHBondContact O-N 3.35Å; D38-R61 IonicContact OD1-CZ 3.85Å; D38-R61 IonicContact OD1-NE 2.73Å; D38-R61 PolarHBondContact OD1-NE 2.79Å; D38-R61 IonicContact OD1-NH1 3.42Å; D38-R61 PolarHBondContact OD1-NH1 3.24Å; D38-R61 IonicContact OD1-NH2 3.7Å; D38-R61 PolarHBondContact OD1-NH2 3.08Å; D38-R61 IonicContact OD2-CZ 3.45Å; D38-R61 IonicContact OD2-NE 3.98Å; D38-R61 IonicContact OD2-NH2 3.12Å; D38-R61 PolarHBondContact OD2-NH2 2.79Å; R61-E107 IonicContact NH1-OE2 3.27Å; R61-E107 PolarHBondContact NH1-OE2 3.39Å; R61-E107 VanDerWaalsContact NH1-OE2 3.13Å; R61-E107 PolarHBondContact O-N 3.06Å
62	R	97.8	Very high	97.1	Very high	43 Å²	43	27.9 Å²	27.9	16%	0.162	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	136.6	-175.4	-175.9	172.3	56.9	-126.5	-2.1	111.4	S37 D38 V39 E107 P125	S37-R62 PolarHBondContact O-N 3.13Å; D38-R62 WeakPolarHBondContact OD1-CB 3.29Å; D38-R62 IonicContact OD1-CZ 3.15Å; D38-R62 IonicContact OD1-NE 3.13Å; D38-R62 PolarHBondContact OD1-NE 3.41Å; D38-R62 IonicContact OD1-NH1 3.49Å; D38-R62 IonicContact OD1-NH2 3.58Å; D38-R62 PolarHBondContact OD1-NH2 2.88Å; D38-R62 VanDerWaalsContact OD1-NH2 3.1Å; D38-R62 IonicContact OD2-CZ 2.8Å; D38-R62 IonicContact OD2-NH2 2.87Å; D38-R62 PolarHBondContact OD2-NH2 2.91Å; V39-R62 PolarHBondContact N-O 2.86Å; R62-E107 CarbonylContact C-O 3.49Å; R62-E107 VanDerWaalsContact CA-O 3.23Å; R62-E107 WeakPolarHBondContact CA-O 3.46Å; R62-E107 HydrophobicContact CB-CB 4.01Å; R62-E107 HydrophobicContact CG-CB 3.92Å; R62-E107 IonicContact NH1-OE2 3.77Å; R62-P125 PolarHBondContact NH2-O 3.33Å
63	L	98.3	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.7	170.4	-176.4	60.2	0	0	0	109.9	V39 L41 A52 L55 L56 I60 L65 V106 E107 V108 D109	V39-L63 HydrophobicContact CB-CD1 4.1Å; V39-L63 HydrophobicContact CG1-CD1 4.09Å; L41-L63 HydrophobicContact CB-CD1 3.91Å; L41-L63 HydrophobicContact CD2-CD1 4.49Å; A52-L63 HydrophobicContact CB-CD2 3.99Å; L55-L63 HydrophobicContact CD1-CD1 4.16Å; L56-L63 HydrophobicContact CD1-CD2 4.18Å; L56-L63 HydrophobicContact CD2-CD2 4Å; L56-L63 HydrophobicContact CG-CD2 3.82Å; I60-L63 HydrophobicContact CD1-CB 3.91Å; I60-L63 HydrophobicContact CD1-CD1 4.17Å; L63-L65 HydrophobicContact CD1-CD2 4.28Å; L63-L65 HydrophobicContact CD2-CD2 3.85Å; L63-L65 HydrophobicContact CG-CD2 3.76Å; L63-V106 HydrophobicContact CB-CG1 4.28Å; L63-E107 PolarHBondContact N-O 3.5Å; L63-V108 WeakPolarHBondContact O-CA 3.06Å; L63-D109 PolarHBondContact O-N 3.06Å; L63-D109 VanDerWaalsContact O-N 3.13Å
64	T	98.5	Very high	96.8	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.9	170.5	-55.6	0	0	0	0	110.2	V39 L40 L41 D109 L111 Y126	V39-T64 PolarHBondContact O-N 3.21Å; L40-T64 HydrophobicContact CD1-CG2 4Å; L41-T64 PolarHBondContact N-O 2.88Å; T64-D109 CarbonylContact C-O 3.58Å; T64-D109 WeakPolarHBondContact CA-O 3.4Å; T64-L111 HydrophobicContact CG2-CB 3.98Å; T64-Y126 WeakPolarHBondContact CB-OH 3.38Å; T64-Y126 VanDerWaalsContact CG2-OH 3.27Å; T64-Y126 WeakPolarHBondContact CG2-OH 3.32Å; T64-Y126 VanDerWaalsContact OG1-CE1 3.32Å; T64-Y126 WeakPolarHBondContact OG1-CE1 3.16Å; T64-Y126 PolarHBondContact OG1-OH 2.83Å
65	L	98.5	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.4	179.8	-53.8	-177.2	0	0	0	110.8	L41 L44 L63 A92 L96 V108 D109 A110 L111	L41-L65 HydrophobicContact CB-CD2 4.36Å; L41-L65 HydrophobicContact CD2-CD2 4.16Å; L44-L65 HydrophobicContact CD1-CD1 4.5Å; L44-L65 HydrophobicContact CD1-CD2 4.19Å; L44-L65 HydrophobicContact CD2-CB 4.02Å; L44-L65 HydrophobicContact CD2-CD2 4.12Å; L44-L65 HydrophobicContact CG-CD2 4.48Å; L63-L65 HydrophobicContact CD1-CD2 4.28Å; L63-L65 HydrophobicContact CD2-CD2 3.85Å; L63-L65 HydrophobicContact CG-CD2 3.76Å; L65-A92 HydrophobicContact CB-CB 3.96Å; L65-L96 HydrophobicContact CD1-CD2 4.32Å; L65-V108 HydrophobicContact CD1-CG1 4.47Å; L65-D109 PolarHBondContact N-O 3.38Å; L65-A110 CarbonylContact O-C 3.59Å; L65-A110 VanDerWaalsContact O-CA 3.29Å; L65-A110 WeakPolarHBondContact O-CA 3.44Å; L65-L111 PolarHBondContact O-N 2.83Å
66	L	98.1	Very high	96.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	105.5	172.6	-170.4	174.2	0	0	0	109.5	L40 L41 V42 G43 L111 K113 V115 L118	L40-L66 HydrophobicContact CD1-CB 4.3Å; L41-L66 PolarHBondContact O-N 3.1Å; V42-L66 CarbonylContact C-O 3.53Å; V42-L66 WeakPolarHBondContact CA-O 3.29Å; V42-L66 HydrophobicContact CG1-CD2 4.23Å; V42-L66 HydrophobicContact CG2-CB 4.18Å; V42-L66 HydrophobicContact CG2-CD1 4.24Å; G43-L66 PolarHBondContact N-O 3.32Å; L66-L111 HydrophobicContact CB-CB 4.47Å; L66-L111 HydrophobicContact CD1-CD2 4.07Å; L66-K113 WeakPolarHBondContact CD2-O 3.45Å; L66-V115 HydrophobicContact CD2-CB 4.47Å; L66-L118 HydrophobicContact CD1-CD1 4.08Å; L66-L118 HydrophobicContact CD1-CD2 3.66Å; L66-L118 HydrophobicContact CD1-CG 4.02Å
67	D	97.2	Very high	96.4	Very high	19 Å²	19	41.8 Å²	41.8	10%	0.102	23%	0.228	C	C	.	.			trans	-159.9	110.1	170.2	-169	-19	0	0	0	109.3	L44 A69 R91 A92	L44-D67 WeakPolarHBondContact CA-OD2 3.33Å; L44-D67 HydrophobicContact CB-CB 3.84Å; L44-D67 HydrophobicContact CD2-CB 4.15Å; L44-D67 HydrophobicContact CG-CB 4.41Å; L44-D67 PolarHBondContact N-OD2 3.24Å; D67-A69 WeakPolarHBondContact OD1-CB 3.35Å; D67-A69 PolarHBondContact OD1-N 3.4Å; D67-R91 HydrophobicContact CB-CB 4.13Å; D67-R91 WeakPolarHBondContact OD2-CD 3.39Å; D67-R91 IonicContact OD2-NH1 2.58Å; D67-A92 HydrophobicContact CB-CB 4.32Å; D67-A92 WeakPolarHBondContact O-CB 3.41Å; D67-A92 PolarHBondContact O-N 2.84Å; D67-A92 VanDerWaalsContact O-N 3.17Å
68	T	95.9	Very high	96.1	Very high	55 Å²	55	41.3 Å²	41.3	34%	0.337	22%	0.224	S	C	.	.			trans	-89.2	-0.9	-178.9	57.3	0	0	0	0	113.2
69	A	95.9	Very high	96	Very high	36 Å²	36	41.5 Å²	41.5	30%	0.298	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-65.1	147.7	176.9	0	0	0	0	0	111.1	D67 Q90 R91	D67-A69 WeakPolarHBondContact OD1-CB 3.35Å; D67-A69 PolarHBondContact OD1-N 3.4Å; A69-Q90 CarbonylContact O-C 3.45Å; A69-Q90 WeakPolarHBondContact O-CA 3.29Å; A69-R91 WeakPolarHBondContact O-CG 3.27Å; A69-R91 PolarHBondContact O-N 2.79Å
70	I	97.4	Very high	95.9	Very high	91 Å²	91	45.4 Å²	45.4	47%	0.467	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-84.1	134	177.5	-57.1	-56	0	0	0	109.5	T72 K89 Q90	I70-T72 PolarHBondContact O-N 2.6Å; I70-K89 WeakPolarHBondContact CA-O 3.34Å; I70-Q90 HydrophobicContact CD1-CG 3.97Å
71	V	97.8	Very high	95.9	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-62.7	123.8	176.8	177	0	0	0	0	109.8	D75 V76 L82 C86 V87 G88 K89 R91 A94	V71-D75 HydrophobicContact CG1-CB 4.46Å; V71-V76 HydrophobicContact CG1-CG2 3.85Å; V71-L82 HydrophobicContact CG1-CD1 4.05Å; V71-L82 HydrophobicContact CG2-CD1 4.08Å; V71-L82 HydrophobicContact CG2-CD2 3.95Å; V71-C86 WeakPolarHBondContact CB-O 3.47Å; V71-C86 HydrophobicContact CG1-CB 4.15Å; V71-C86 HydrophobicContact CG2-CB 4.38Å; V71-V87 HydrophobicContact CG1-CG2 4.3Å; V71-G88 PolarHBondContact O-N 3.16Å; V71-K89 WeakPolarHBondContact CG2-O 3.49Å; V71-K89 PolarHBondContact N-O 2.61Å; V71-R91 HydrophobicContact CG2-CB 4.36Å; V71-R91 HydrophobicContact CG2-CG 3.7Å; V71-A94 HydrophobicContact CG2-CB 3.97Å
72	T	96.8	Very high	95.9	Very high	66 Å²	66	42.6 Å²	42.6	41%	0.405	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-103.1	165.3	170.5	68.1	0	0	0	0	110.9	I70 A74 D75 V76	I70-T72 PolarHBondContact O-N 2.6Å; T72-A74 PolarHBondContact O-N 3.31Å; T72-D75 PolarHBondContact N-OD2 3.02Å; T72-D75 WeakPolarHBondContact O-CB 3.38Å; T72-D75 PolarHBondContact O-N 3.48Å; T72-D75 VanDerWaalsContact O-N 3.08Å; T72-D75 PolarHBondContact OG1-N 3.32Å; T72-D75 PolarHBondContact OG1-OD2 3.36Å; T72-V76 PolarHBondContact O-N 3.37Å
73	E	95.9	Very high	95.9	Very high	149 Å²	149	43.8 Å²	43.8	70%	0.696	25%	0.247	S	C	*	.	H	α-helix	trans	-59.4	-33	173.9	-64.7	-178.5	178	0	0	112.8	D75 V76 N77 V87	E73-D75 VanDerWaalsContact C-N 3.29Å; E73-D75 PolarHBondContact O-N 2.95Å; E73-V76 PolarHBondContact O-N 3.31Å; E73-N77 PolarHBondContact O-N 3.06Å; E73-N77 PolarHBondContact O-ND2 3.4Å; E73-V87 HydrophobicContact CG-CG2 4.38Å
74	A	92.9	Very high	95.8	Very high	54 Å²	54	48.8 Å²	48.8	45%	0.446	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-36.2	176.1	0	0	0	0	0	111.7	T72 N77 Q78	T72-A74 PolarHBondContact O-N 3.31Å; A74-N77 PolarHBondContact O-N 3.31Å; A74-Q78 WeakPolarHBondContact O-CG 3.32Å; A74-Q78 PolarHBondContact O-N 3.21Å
75	D	94.7	Very high	95.8	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.102	30%	0.304	C	S	.	.	H	α-helix	trans	-68.3	-38.3	179.6	-59.1	-44.3	0	0	0	112	V71 T72 E73 N77 Q78 S79 L82 R91	V71-D75 HydrophobicContact CG1-CB 4.46Å; T72-D75 PolarHBondContact N-OD2 3.02Å; T72-D75 WeakPolarHBondContact O-CB 3.38Å; T72-D75 PolarHBondContact O-N 3.48Å; T72-D75 VanDerWaalsContact O-N 3.08Å; T72-D75 PolarHBondContact OG1-N 3.32Å; T72-D75 PolarHBondContact OG1-OD2 3.36Å; E73-D75 VanDerWaalsContact C-N 3.29Å; E73-D75 PolarHBondContact O-N 2.95Å; D75-N77 PolarHBondContact O-N 3.38Å; D75-Q78 PolarHBondContact O-N 3.03Å; D75-S79 WeakPolarHBondContact O-CB 3.19Å; D75-S79 PolarHBondContact O-N 3.47Å; D75-L82 HydrophobicContact CB-CD1 3.98Å; D75-R91 IonicContact OD1-CZ 2.73Å; D75-R91 IonicContact OD1-NE 3.11Å; D75-R91 IonicContact OD1-NH2 2.7Å; D75-R91 PolarHBondContact OD1-NH2 3.43Å; D75-R91 IonicContact OD2-CZ 3.89Å; D75-R91 IonicContact OD2-NE 3.87Å; D75-R91 PolarHBondContact OD2-NE 2.62Å; D75-R91 IonicContact OD2-NH2 3.44Å; D75-R91 PolarHBondContact OD2-NH2 3.39Å
76	V	95.5	Very high	95.7	Very high	23 Å²	23	53.7 Å²	53.7	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-36.8	176	178.4	0	0	0	0	111	V71 T72 E73 Q78 L82 P84 V87	V71-V76 HydrophobicContact CG1-CG2 3.85Å; T72-V76 PolarHBondContact O-N 3.37Å; E73-V76 PolarHBondContact O-N 3.31Å; V76-Q78 VanDerWaalsContact C-N 3.26Å; V76-Q78 PolarHBondContact O-N 3.45Å; V76-L82 HydrophobicContact CG2-CB 4.4Å; V76-P84 HydrophobicContact CG1-CG 4.14Å; V76-V87 HydrophobicContact CG2-CG2 3.81Å
77	N	92	Very high	95.7	Very high	133 Å²	133	56.5 Å²	56.5	71%	0.711	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.4	179.3	-68.3	-56.6	0	0	0	114.2	E73 A74 D75	E73-N77 PolarHBondContact O-N 3.06Å; E73-N77 PolarHBondContact O-ND2 3.4Å; A74-N77 PolarHBondContact O-N 3.31Å; D75-N77 PolarHBondContact O-N 3.38Å
78	Q	90.6	Very high	95.7	Very high	80 Å²	80	58.1 Å²	58.1	37%	0.374	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-8.3	-174.3	-63.3	178.8	1.6	0	0	113.2	A46 A74 D75 V76 I282	A46-Q78 HydrophobicContact CB-CB 4.08Å; A46-Q78 WeakPolarHBondContact CB-O 3.18Å; A74-Q78 WeakPolarHBondContact O-CG 3.32Å; A74-Q78 PolarHBondContact O-N 3.21Å; D75-Q78 PolarHBondContact O-N 3.03Å; V76-Q78 VanDerWaalsContact C-N 3.26Å; V76-Q78 PolarHBondContact O-N 3.45Å; Q78-I282 HydrophobicContact CG-CG2 4.14Å
79	S	93.7	Very high	95.8	Very high	12 Å²	12	60.2 Å²	60.2	8%	0.084	35%	0.348	C	S	.	.			trans	-118.1	131.5	-177.6	-179.2	0	0	0	0	111	A49 D75 L81	A49-S79 VanDerWaalsContact CB-OG 3.27Å; A49-S79 WeakPolarHBondContact CB-OG 3.27Å; D75-S79 WeakPolarHBondContact O-CB 3.19Å; D75-S79 PolarHBondContact O-N 3.47Å; S79-L81 PolarHBondContact O-N 3.41Å; S79-L81 PolarHBondContact OG-N 3.45Å
80	I	93.3	Very high	95.8	Very high	84 Å²	84	61.5 Å²	61.5	43%	0.431	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-9	172.5	58.5	172	0	0	0	113.5	A49 K53	A49-I80 HydrophobicContact CB-CG1 4.3Å; K53-I80 HydrophobicContact CB-CD1 3.5Å; K53-I80 HydrophobicContact CD-CD1 3.57Å; K53-I80 HydrophobicContact CG-CD1 3.85Å
81	L	96.7	Very high	95.8	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-5.9	-176.2	-59.4	178	0	0	0	113.4	L44 A49 A52 S79 A98 M102	L44-L81 HydrophobicContact CD1-CD1 4.07Å; A49-L81 HydrophobicContact CB-CD1 3.89Å; A49-L81 HydrophobicContact CB-CG 4.04Å; A52-L81 HydrophobicContact CB-CD1 3.99Å; S79-L81 PolarHBondContact O-N 3.41Å; S79-L81 PolarHBondContact OG-N 3.45Å; L81-A98 HydrophobicContact CB-CB 4.23Å; L81-A98 HydrophobicContact CD2-CB 4.03Å; L81-A98 WeakPolarHBondContact O-CB 3.48Å; L81-M102 HydrophobicContact CD2-CE 4.05Å
82	L	97.2	Very high	95.8	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.063	33%	0.334	C	S	.	.			trans	-117.6	137.2	-172.1	-59.7	176.7	0	0	0	110.4	V71 D75 V76 C86 A94	V71-L82 HydrophobicContact CG1-CD1 4.05Å; V71-L82 HydrophobicContact CG2-CD1 4.08Å; V71-L82 HydrophobicContact CG2-CD2 3.95Å; D75-L82 HydrophobicContact CB-CD1 3.98Å; V76-L82 HydrophobicContact CG2-CB 4.4Å; L82-C86 HydrophobicContact CD2-CB 4.17Å; L82-A94 HydrophobicContact CD2-CB 3.81Å
83	T	96.8	Very high	95.8	Very high	69 Å²	69	58.6 Å²	58.6	42%	0.423	33%	0.334	S	S	.	.			trans	-113.1	164.3	173.5	47.9	0	0	0	0	109.9	D85 C86	T83-D85 WeakPolarHBondContact CB-OD1 3.2Å; T83-D85 PolarHBondContact O-N 3Å; T83-D85 VanDerWaalsContact O-N 3.13Å; T83-D85 PolarHBondContact OG1-OD1 2.73Å; T83-C86 PolarHBondContact N-SG 3.44Å; T83-C86 WeakPolarHBondContact O-CB 3.39Å; T83-C86 PolarHBondContact O-N 3.38Å; T83-C86 PolarHBondContact OG1-SG 2.89Å; T83-C86 VanDerWaalsContact OG1-SG 3.34Å
84	P	97.1	Very high	95.9	Very high	104 Å²	104	52.1 Å²	52.1	68%	0.675	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-56.1	-28.7	-179.2	-28.8	36.4	0	0	0	114.9	V76 C86 V87	V76-P84 HydrophobicContact CG1-CG 4.14Å; P84-C86 PolarHBondContact O-N 3.18Å; P84-V87 WeakPolarHBondContact O-CG2 3.5Å; P84-V87 PolarHBondContact O-N 3.3Å
85	D	97.1	Very high	96.2	Very high	104 Å²	104	49.5 Å²	49.5	56%	0.556	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-75.8	-5.2	175.7	66.9	-69.4	0	0	0	113.9	T83 K89	T83-D85 WeakPolarHBondContact CB-OD1 3.2Å; T83-D85 PolarHBondContact O-N 3Å; T83-D85 VanDerWaalsContact O-N 3.13Å; T83-D85 PolarHBondContact OG1-OD1 2.73Å; D85-K89 VanDerWaalsContact O-CE 3.28Å; D85-K89 WeakPolarHBondContact O-CE 3.38Å; D85-K89 PolarHBondContact O-NZ 3.06Å; D85-K89 IonicContact OD2-NZ 2.86Å
86	C	97.2	Very high	96.3	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.034	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-79.7	-17.2	171.8	-63.6	0	0	0	0	113.1	V71 L82 T83 P84 G88 K89 A94	V71-C86 WeakPolarHBondContact CB-O 3.47Å; V71-C86 HydrophobicContact CG1-CB 4.15Å; V71-C86 HydrophobicContact CG2-CB 4.38Å; L82-C86 HydrophobicContact CD2-CB 4.17Å; T83-C86 PolarHBondContact N-SG 3.44Å; T83-C86 WeakPolarHBondContact O-CB 3.39Å; T83-C86 PolarHBondContact O-N 3.38Å; T83-C86 PolarHBondContact OG1-SG 2.89Å; T83-C86 VanDerWaalsContact OG1-SG 3.34Å; P84-C86 PolarHBondContact O-N 3.18Å; C86-G88 PolarHBondContact O-N 3.35Å; C86-K89 VanDerWaalsContact O-CB 3.29Å; C86-K89 WeakPolarHBondContact O-CB 3.15Å; C86-K89 PolarHBondContact O-N 2.89Å; C86-A94 HydrophobicContact CB-CB 3.93Å
87	V	97.8	Very high	96.4	Very high	64 Å²	64	57 Å²	57	39%	0.388	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	131.3	-176.9	176.1	0	0	0	0	110.7	V71 E73 V76 P84	V71-V87 HydrophobicContact CG1-CG2 4.3Å; E73-V87 HydrophobicContact CG-CG2 4.38Å; V76-V87 HydrophobicContact CG2-CG2 3.81Å; P84-V87 WeakPolarHBondContact O-CG2 3.5Å; P84-V87 PolarHBondContact O-N 3.3Å
88	G	97.5	Very high	96.6	Very high	52 Å²	52	51.9 Å²	51.9	54%	0.536	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-9.4	-176.5	0	0	0	0	0	115.5	V71 C86	V71-G88 PolarHBondContact O-N 3.16Å; C86-G88 PolarHBondContact O-N 3.35Å
89	K	97.2	Very high	97	Very high	99 Å²	99	48.1 Å²	48.1	43%	0.43	28%	0.277	S	S	.	.	S	Bend	trans	-87.5	160.5	172.3	-57.2	176.2	-171.3	158.1	0	110.7	I70 V71 D85 C86 A94	I70-K89 WeakPolarHBondContact CA-O 3.34Å; V71-K89 WeakPolarHBondContact CG2-O 3.49Å; V71-K89 PolarHBondContact N-O 2.61Å; D85-K89 VanDerWaalsContact O-CE 3.28Å; D85-K89 WeakPolarHBondContact O-CE 3.38Å; D85-K89 PolarHBondContact O-NZ 3.06Å; D85-K89 IonicContact OD2-NZ 2.86Å; C86-K89 VanDerWaalsContact O-CB 3.29Å; C86-K89 WeakPolarHBondContact O-CB 3.15Å; C86-K89 PolarHBondContact O-N 2.89Å; K89-A94 HydrophobicContact CB-CB 4.02Å
90	Q	96.7	Very high	97.1	Very high	64 Å²	64	52.6 Å²	52.6	30%	0.299	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-67.4	135.9	168.7	-74.6	-179.4	-33.1	0	0	110.3	A69 I70 A92 A93 A94 D112	A69-Q90 CarbonylContact O-C 3.45Å; A69-Q90 WeakPolarHBondContact O-CA 3.29Å; I70-Q90 HydrophobicContact CD1-CG 3.97Å; Q90-A92 PolarHBondContact O-N 3.01Å; Q90-A93 HydrophobicContact CB-CB 4.34Å; Q90-A93 PolarHBondContact O-N 2.73Å; Q90-A94 VanDerWaalsContact O-CB 3.27Å; Q90-A94 WeakPolarHBondContact O-CB 3.47Å; Q90-A94 PolarHBondContact O-N 3.17Å; Q90-D112 PolarHBondContact NE2-OD1 2.99Å; Q90-D112 PolarHBondContact OE1-OD1 3.06Å
91	R	97.5	Very high	97.2	Very high	45 Å²	45	53.4 Å²	53.4	17%	0.17	31%	0.308	C	S	.	.	H	α-helix	trans	-56.3	-45	-174.1	-76.7	179.9	-169.7	173.8	-1.2	113.6	L44 D67 A69 V71 D75 A94 S95	L44-R91 HydrophobicContact CB-CB 4.32Å; D67-R91 HydrophobicContact CB-CB 4.13Å; D67-R91 WeakPolarHBondContact OD2-CD 3.39Å; D67-R91 IonicContact OD2-NH1 2.58Å; A69-R91 WeakPolarHBondContact O-CG 3.27Å; A69-R91 PolarHBondContact O-N 2.79Å; V71-R91 HydrophobicContact CG2-CB 4.36Å; V71-R91 HydrophobicContact CG2-CG 3.7Å; D75-R91 IonicContact OD1-CZ 2.73Å; D75-R91 IonicContact OD1-NE 3.11Å; D75-R91 IonicContact OD1-NH2 2.7Å; D75-R91 PolarHBondContact OD1-NH2 3.43Å; D75-R91 IonicContact OD2-CZ 3.89Å; D75-R91 IonicContact OD2-NE 3.87Å; D75-R91 PolarHBondContact OD2-NE 2.62Å; D75-R91 IonicContact OD2-NH2 3.44Å; D75-R91 PolarHBondContact OD2-NH2 3.39Å; R91-A94 PolarHBondContact O-N 2.86Å; R91-S95 WeakPolarHBondContact O-CB 3.19Å; R91-S95 PolarHBondContact O-N 2.85Å; R91-S95 VanDerWaalsContact O-N 3.08Å; R91-S95 PolarHBondContact O-OG 3.11Å
92	A	97.9	Very high	97.2	Very high	4 Å²	4	56 Å²	56	3%	0.033	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-50.1	178.4	0	0	0	0	0	111.7	L65 D67 Q90 A94 S95 A110	L65-A92 HydrophobicContact CB-CB 3.96Å; D67-A92 HydrophobicContact CB-CB 4.32Å; D67-A92 WeakPolarHBondContact O-CB 3.41Å; D67-A92 PolarHBondContact O-N 2.84Å; D67-A92 VanDerWaalsContact O-N 3.17Å; Q90-A92 PolarHBondContact O-N 3.01Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 2.82Å; A92-S95 PolarHBondContact O-N 2.86Å; A92-A110 HydrophobicContact CB-CB 4.02Å
93	A	97.3	Very high	97.1	Very high	49 Å²	49	55.9 Å²	55.9	41%	0.405	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-41	178.4	0	0	0	0	0	112.4	Q90 S95 L96	Q90-A93 HydrophobicContact CB-CB 4.34Å; Q90-A93 PolarHBondContact O-N 2.73Å; A93-S95 VanDerWaalsContact C-N 3.25Å; A93-S95 PolarHBondContact O-N 3.24Å; A93-L96 PolarHBondContact O-N 3.34Å
94	A	97.6	Very high	97	Very high	13 Å²	13	57.5 Å²	57.5	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-28.5	178.2	0	0	0	0	0	113.3	V71 L82 C86 K89 Q90 R91 A92	V71-A94 HydrophobicContact CG2-CB 3.97Å; L82-A94 HydrophobicContact CD2-CB 3.81Å; C86-A94 HydrophobicContact CB-CB 3.93Å; K89-A94 HydrophobicContact CB-CB 4.02Å; Q90-A94 VanDerWaalsContact O-CB 3.27Å; Q90-A94 WeakPolarHBondContact O-CB 3.47Å; Q90-A94 PolarHBondContact O-N 3.17Å; R91-A94 PolarHBondContact O-N 2.86Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-A94 PolarHBondContact O-N 2.82Å
95	S	98	Very high	97	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-84.7	-12.3	-177.4	-57	0	0	0	0	113.7	R91 A92 A93 E97 A98 C99	R91-S95 WeakPolarHBondContact O-CB 3.19Å; R91-S95 PolarHBondContact O-N 2.85Å; R91-S95 VanDerWaalsContact O-N 3.08Å; R91-S95 PolarHBondContact O-OG 3.11Å; A92-S95 PolarHBondContact O-N 2.86Å; A93-S95 VanDerWaalsContact C-N 3.25Å; A93-S95 PolarHBondContact O-N 3.24Å; S95-E97 PolarHBondContact O-N 3.25Å; S95-A98 PolarHBondContact O-N 2.91Å; S95-C99 PolarHBondContact O-N 3.11Å; S95-C99 PolarHBondContact O-SG 3.3Å
96	L	97.8	Very high	97	Very high	37 Å²	37	51.3 Å²	51.3	19%	0.194	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-44.5	-172.3	-71.2	178.1	0	0	0	113.4	L65 A93 C99 K100 V108 A110	L65-L96 HydrophobicContact CD1-CD2 4.32Å; A93-L96 PolarHBondContact O-N 3.34Å; L96-C99 PolarHBondContact O-N 3.04Å; L96-K100 WeakPolarHBondContact O-CB 3.47Å; L96-K100 VanDerWaalsContact O-CG 3.31Å; L96-K100 WeakPolarHBondContact O-CG 3.44Å; L96-K100 PolarHBondContact O-N 2.93Å; L96-V108 HydrophobicContact CD2-CG1 3.84Å; L96-A110 HydrophobicContact CD1-CB 3.95Å; L96-A110 HydrophobicContact CD2-CB 3.93Å; L96-A110 HydrophobicContact CG-CB 4.16Å
97	E	96.5	Very high	97	Very high	163 Å²	163	55.9 Å²	55.9	76%	0.762	31%	0.314	S	S	*	.	H	α-helix	trans	-65.6	-46.8	-177.4	-172.4	178.2	173.7	0	0	111.1	S95 C99 K100 S101	S95-E97 PolarHBondContact O-N 3.25Å; E97-C99 VanDerWaalsContact C-N 3.34Å; E97-C99 PolarHBondContact O-N 2.79Å; E97-K100 PolarHBondContact O-N 2.89Å; E97-S101 WeakPolarHBondContact O-CB 3.27Å; E97-S101 PolarHBondContact O-N 3.48Å
98	A	97.5	Very high	97	Very high	25 Å²	25	53.1 Å²	53.1	21%	0.207	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-46.2	176	0	0	0	0	0	111.3	L81 S95 K100 S101 M102	L81-A98 HydrophobicContact CB-CB 4.23Å; L81-A98 HydrophobicContact CD2-CB 4.03Å; L81-A98 WeakPolarHBondContact O-CB 3.48Å; S95-A98 PolarHBondContact O-N 2.91Å; A98-K100 PolarHBondContact O-N 2.67Å; A98-S101 PolarHBondContact O-N 3.37Å; A98-S101 PolarHBondContact O-OG 2.99Å; A98-M102 PolarHBondContact O-N 3.01Å; A98-M102 VanDerWaalsContact O-N 3.11Å
99	C	97.8	Very high	97	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-46.4	177.2	-70.8	0	0	0	0	112.7	L56 S95 L96 E97 S101 M102 N103 V108	L56-C99 HydrophobicContact CD1-CB 3.7Å; L56-C99 HydrophobicContact CD2-CB 4.45Å; S95-C99 PolarHBondContact O-N 3.11Å; S95-C99 PolarHBondContact O-SG 3.3Å; L96-C99 PolarHBondContact O-N 3.04Å; E97-C99 VanDerWaalsContact C-N 3.34Å; E97-C99 PolarHBondContact O-N 2.79Å; C99-S101 VanDerWaalsContact C-N 3.31Å; C99-S101 PolarHBondContact O-N 3.39Å; C99-M102 WeakPolarHBondContact O-CB 3.11Å; C99-M102 PolarHBondContact O-N 2.75Å; C99-N103 PolarHBondContact O-N 3.16Å; C99-V108 HydrophobicContact CB-CB 4.41Å; C99-V108 HydrophobicContact CB-CG1 3.71Å; C99-V108 HydrophobicContact CB-CG2 4.13Å
100	K	97	Very high	97.1	Very high	107 Å²	107	51.7 Å²	51.7	47%	0.465	29%	0.288	S	S	.	.	H	α-helix	trans	-63.8	-36.4	178.2	-73.1	175.1	-178.5	-179.4	0	112.3	L96 E97 A98 M102 N103 V108	L96-K100 WeakPolarHBondContact O-CB 3.47Å; L96-K100 VanDerWaalsContact O-CG 3.31Å; L96-K100 WeakPolarHBondContact O-CG 3.44Å; L96-K100 PolarHBondContact O-N 2.93Å; E97-K100 PolarHBondContact O-N 2.89Å; A98-K100 PolarHBondContact O-N 2.67Å; K100-M102 VanDerWaalsContact C-N 3.28Å; K100-M102 PolarHBondContact O-N 2.83Å; K100-N103 CarbonylContact O-C 3.57Å; K100-V108 WeakPolarHBondContact CE-O 3.38Å; K100-V108 HydrophobicContact CG-CB 4.03Å; K100-V108 HydrophobicContact CG-CG2 4.29Å
101	S	96	Very high	97	Very high	100 Å²	100	50.5 Å²	50.5	70%	0.699	28%	0.283	S	S	*	.	H	α-helix	trans	-67.6	-29.1	176.3	78.5	0	0	0	0	112.9	E97 A98 C99	E97-S101 WeakPolarHBondContact O-CB 3.27Å; E97-S101 PolarHBondContact O-N 3.48Å; A98-S101 PolarHBondContact O-N 3.37Å; A98-S101 PolarHBondContact O-OG 2.99Å; C99-S101 VanDerWaalsContact C-N 3.31Å; C99-S101 PolarHBondContact O-N 3.39Å
102	M	95.6	Very high	96.9	Very high	60 Å²	60	53.5 Å²	53.5	30%	0.296	30%	0.303	S	S	.	.	H	α-helix	trans	-74.3	-41.4	-176.6	-172.3	177.7	-63.9	0	0	112.2	K53 L56 L57 L81 A98 C99 K100	K53-M102 HydrophobicContact CB-CE 3.97Å; K53-M102 HydrophobicContact CB-SD 3.84Å; K53-M102 HydrophobicContact CG-CE 3.75Å; K53-M102 HydrophobicContact CG-SD 3.53Å; K53-M102 VanDerWaalsContact CG-SD 3.53Å; L56-M102 HydrophobicContact CB-CG 4.45Å; L56-M102 HydrophobicContact CB-SD 4Å; L56-M102 HydrophobicContact CD1-CB 4.38Å; L56-M102 HydrophobicContact CD1-SD 3.88Å; L57-M102 HydrophobicContact CD2-CG 3.99Å; L57-M102 HydrophobicContact CD2-SD 4.37Å; L57-M102 HydrophobicContact CG-CG 4.46Å; L57-M102 HydrophobicContact CG-SD 4.21Å; L81-M102 HydrophobicContact CD2-CE 4.05Å; A98-M102 PolarHBondContact O-N 3.01Å; A98-M102 VanDerWaalsContact O-N 3.11Å; C99-M102 WeakPolarHBondContact O-CB 3.11Å; C99-M102 PolarHBondContact O-N 2.75Å; K100-M102 VanDerWaalsContact C-N 3.28Å; K100-M102 PolarHBondContact O-N 2.83Å
103	N	96	Very high	96.7	Very high	9 Å²	9	56.8 Å²	56.8	5%	0.048	32%	0.316	C	S	.	.			trans	-150	106.6	173.8	-170.1	-13.8	0	0	0	111.1	Y19 L56 C99 K100 F105 V106	Y19-N103 PolarHBondContact OH-ND2 2.93Å; L56-N103 HydrophobicContact CB-CB 4.47Å; L56-N103 PolarHBondContact O-ND2 3.31Å; C99-N103 PolarHBondContact O-N 3.16Å; K100-N103 CarbonylContact O-C 3.57Å; N103-F105 PolarHBondContact O-N 3.46Å; N103-F105 WeakPolarHBondContact OD1-CB 3.48Å; N103-F105 WeakPolarHBondContact OD1-CD2 3.42Å; N103-F105 PolarHBondContact OD1-N 3.31Å; N103-V106 HydrophobicContact CB-CG2 3.98Å; N103-V106 PolarHBondContact O-N 2.98Å
104	S	94.8	Very high	96.5	Very high	103 Å²	103	58 Å²	58	72%	0.72	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.3	-178.4	59.8	0	0	0	0	114.6	V106	S104-V106 VanDerWaalsContact C-N 3.34Å
105	F	95.6	Very high	96.3	Very high	70 Å²	70	58.5 Å²	58.5	31%	0.307	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-13.3	175.8	-63.4	-73	0	0	0	112.9	Q14 E15 L18 N103	Q14-F105 HydrophobicContact CB-CE1 4.43Å; Q14-F105 HydrophobicContact CB-CZ 3.76Å; E15-F105 HydrophobicContact CG-CD1 3.56Å; E15-F105 HydrophobicContact CG-CD2 4.23Å; E15-F105 HydrophobicContact CG-CE1 3.68Å; E15-F105 HydrophobicContact CG-CE2 4.33Å; E15-F105 HydrophobicContact CG-CG 3.87Å; E15-F105 HydrophobicContact CG-CZ 4.08Å; L18-F105 HydrophobicContact CD2-CD2 3.64Å; L18-F105 HydrophobicContact CD2-CE2 3.78Å; N103-F105 PolarHBondContact O-N 3.46Å; N103-F105 WeakPolarHBondContact OD1-CB 3.48Å; N103-F105 WeakPolarHBondContact OD1-CD2 3.42Å; N103-F105 PolarHBondContact OD1-N 3.31Å
106	V	97.3	Very high	96	Very high	9 Å²	9	63 Å²	63	6%	0.055	35%	0.346	C	S	.	.	S	Bend	trans	-94.9	128.8	-179.6	-172.7	0	0	0	0	109.7	L56 I60 L63 N103 S104 V108	L56-V106 HydrophobicContact CD2-CB 3.9Å; L56-V106 HydrophobicContact CD2-CG1 3.85Å; L56-V106 HydrophobicContact CD2-CG2 4.21Å; I60-V106 HydrophobicContact CG1-CG1 3.89Å; I60-V106 WeakPolarHBondContact O-CG2 3.44Å; L63-V106 HydrophobicContact CB-CG1 4.28Å; N103-V106 HydrophobicContact CB-CG2 3.98Å; N103-V106 PolarHBondContact O-N 2.98Å; S104-V106 VanDerWaalsContact C-N 3.34Å; V106-V108 HydrophobicContact CB-CG2 4.5Å; V106-V108 HydrophobicContact CG1-CG2 4.29Å; V106-V108 PolarHBondContact O-N 3.31Å
107	E	97.8	Very high	95.8	Very high	101 Å²	101	64 Å²	64	47%	0.472	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.4	169.1	-67.6	173.6	-177.4	0	0	109.1	R61 R62 L63	R61-E107 IonicContact NH1-OE2 3.27Å; R61-E107 PolarHBondContact NH1-OE2 3.39Å; R61-E107 VanDerWaalsContact NH1-OE2 3.13Å; R61-E107 PolarHBondContact O-N 3.06Å; R62-E107 CarbonylContact C-O 3.49Å; R62-E107 VanDerWaalsContact CA-O 3.23Å; R62-E107 WeakPolarHBondContact CA-O 3.46Å; R62-E107 HydrophobicContact CB-CB 4.01Å; R62-E107 HydrophobicContact CG-CB 3.92Å; R62-E107 IonicContact NH1-OE2 3.77Å; L63-E107 PolarHBondContact N-O 3.5Å
108	V	98.3	Very high	95.7	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.03	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122	-179.1	-170.3	0	0	0	0	111.2	L56 L63 L65 L96 C99 K100 V106	L56-V108 HydrophobicContact CD2-CG2 3.81Å; L63-V108 WeakPolarHBondContact O-CA 3.06Å; L65-V108 HydrophobicContact CD1-CG1 4.47Å; L96-V108 HydrophobicContact CD2-CG1 3.84Å; C99-V108 HydrophobicContact CB-CB 4.41Å; C99-V108 HydrophobicContact CB-CG1 3.71Å; C99-V108 HydrophobicContact CB-CG2 4.13Å; K100-V108 WeakPolarHBondContact CE-O 3.38Å; K100-V108 HydrophobicContact CG-CB 4.03Å; K100-V108 HydrophobicContact CG-CG2 4.29Å; V106-V108 HydrophobicContact CB-CG2 4.5Å; V106-V108 HydrophobicContact CG1-CG2 4.29Å; V106-V108 PolarHBondContact O-N 3.31Å
109	D	97.7	Very high	95.6	Very high	81 Å²	81	57.6 Å²	57.6	43%	0.433	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	163.7	-178.9	-66.1	-51.3	0	0	0	111.7	L63 T64 L65	L63-D109 PolarHBondContact O-N 3.06Å; L63-D109 VanDerWaalsContact O-N 3.13Å; T64-D109 CarbonylContact C-O 3.58Å; T64-D109 WeakPolarHBondContact CA-O 3.4Å; L65-D109 PolarHBondContact N-O 3.38Å
110	A	97.7	Very high	95.6	Very high	41 Å²	41	60.6 Å²	60.6	34%	0.339	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135	173.6	0	0	0	0	0	110.3	L65 A92 L96	L65-A110 CarbonylContact O-C 3.59Å; L65-A110 VanDerWaalsContact O-CA 3.29Å; L65-A110 WeakPolarHBondContact O-CA 3.44Å; A92-A110 HydrophobicContact CB-CB 4.02Å; L96-A110 HydrophobicContact CD1-CB 3.95Å; L96-A110 HydrophobicContact CD2-CB 3.93Å; L96-A110 HydrophobicContact CG-CB 4.16Å
111	L	96.2	Very high	95.6	Very high	38 Å²	38	62.1 Å²	62.1	20%	0.199	35%	0.349	C	S	.	.			trans	-101.4	112.7	174.4	-175	60.8	0	0	0	109.6	T64 L65 L66 K113 L118	T64-L111 HydrophobicContact CG2-CB 3.98Å; L65-L111 PolarHBondContact O-N 2.83Å; L66-L111 HydrophobicContact CB-CB 4.47Å; L66-L111 HydrophobicContact CD1-CD2 4.07Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 HydrophobicContact CD1-CD 4.18Å; L111-K113 HydrophobicContact CD1-CG 4.22Å; L111-K113 HydrophobicContact CD2-CD 4.45Å; L111-K113 HydrophobicContact CG-CB 4.24Å; L111-K113 HydrophobicContact CG-CD 4.37Å; L111-K113 HydrophobicContact CG-CG 4.25Å; L111-K113 PolarHBondContact O-N 3.06Å; L111-K113 VanDerWaalsContact O-N 3.11Å; L111-L118 HydrophobicContact CD2-CD2 4.22Å
112	D	94.1	Very high	95.6	Very high	109 Å²	109	58.4 Å²	58.4	58%	0.583	32%	0.321	S	S	*	.			trans	-86.1	74.1	176.3	-173.4	25.7	0	0	0	110.6	Q90	Q90-D112 PolarHBondContact NE2-OD1 2.99Å; Q90-D112 PolarHBondContact OE1-OD1 3.06Å
113	K	93.9	Very high	95.6	Very high	72 Å²	72	55.6 Å²	55.6	31%	0.313	31%	0.307	S	S	.	.	S	Bend	trans	-141.7	144.9	174.4	-73	-173.9	176.6	177.3	0	110.4	L66 L111 D122	L66-K113 WeakPolarHBondContact CD2-O 3.45Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 HydrophobicContact CD1-CD 4.18Å; L111-K113 HydrophobicContact CD1-CG 4.22Å; L111-K113 HydrophobicContact CD2-CD 4.45Å; L111-K113 HydrophobicContact CG-CB 4.24Å; L111-K113 HydrophobicContact CG-CD 4.37Å; L111-K113 HydrophobicContact CG-CG 4.25Å; L111-K113 PolarHBondContact O-N 3.06Å; L111-K113 VanDerWaalsContact O-N 3.11Å; K113-D122 IonicContact NZ-OD1 3.63Å; K113-D122 PolarHBondContact NZ-OD1 3.46Å; K113-D122 IonicContact NZ-OD2 3.24Å; K113-D122 PolarHBondContact NZ-OD2 2.69Å
114	P	93.7	Very high	95.6	Very high	75 Å²	75	57.9 Å²	57.9	49%	0.487	33%	0.327	S	S	.	.			trans	-57.4	141.7	166	-22.9	32.2	0	0	0	111.6	D116 S117	P114-D116 PolarHBondContact O-N 2.92Å; P114-D116 VanDerWaalsContact O-N 3.08Å; P114-S117 WeakPolarHBondContact CD-OG 3.32Å; P114-S117 PolarHBondContact O-N 3.23Å; P114-S117 PolarHBondContact O-OG 3.37Å
115	V	93	Very high	95.6	Very high	23 Å²	23	56 Å²	56	14%	0.139	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-54.9	-30.6	173.5	61.6	0	0	0	0	112	V42 L66 S117 L118 A138	V42-V115 HydrophobicContact CG1-CB 4.1Å; V42-V115 HydrophobicContact CG1-CG2 3.67Å; L66-V115 HydrophobicContact CD2-CB 4.47Å; V115-S117 VanDerWaalsContact C-N 3.29Å; V115-S117 PolarHBondContact O-N 2.91Å; V115-L118 HydrophobicContact CG2-CD1 4.29Å; V115-L118 PolarHBondContact O-N 2.86Å; V115-A138 HydrophobicContact CG2-CB 4.26Å
116	D	91.5	Very high	95.7	Very high	95 Å²	95	53.9 Å²	53.9	51%	0.508	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-75.3	-15.2	-178.8	-67.9	-28.3	0	0	0	115.1	P114 R141	P114-D116 PolarHBondContact O-N 2.92Å; P114-D116 VanDerWaalsContact O-N 3.08Å; D116-R141 VanDerWaalsContact CA-NH1 3.33Å; D116-R141 IonicContact OD1-CZ 3.33Å; D116-R141 IonicContact OD1-NH1 3.4Å; D116-R141 PolarHBondContact OD1-NH1 3.46Å; D116-R141 IonicContact OD1-NH2 3.27Å; D116-R141 PolarHBondContact OD1-NH2 2.86Å
117	S	94.1	Very high	95.5	Very high	58 Å²	58	54.4 Å²	54.4	41%	0.406	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-98	3.2	177.1	60.7	0	0	0	0	114.4	P114 V115 C119	P114-S117 WeakPolarHBondContact CD-OG 3.32Å; P114-S117 PolarHBondContact O-N 3.23Å; P114-S117 PolarHBondContact O-OG 3.37Å; V115-S117 VanDerWaalsContact C-N 3.29Å; V115-S117 PolarHBondContact O-N 2.91Å; S117-C119 PolarHBondContact O-N 3.28Å
118	L	95	Very high	95.4	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.058	28%	0.284	C	S	.	.			trans	-58.1	124	177.3	-76.4	173.9	0	0	0	111	L40 V42 L66 L111 V115 D122 L145	L40-L118 HydrophobicContact CD2-CD2 4.35Å; V42-L118 HydrophobicContact CG2-CD1 4.3Å; L66-L118 HydrophobicContact CD1-CD1 4.08Å; L66-L118 HydrophobicContact CD1-CD2 3.66Å; L66-L118 HydrophobicContact CD1-CG 4.02Å; L111-L118 HydrophobicContact CD2-CD2 4.22Å; V115-L118 HydrophobicContact CG2-CD1 4.29Å; V115-L118 PolarHBondContact O-N 2.86Å; L118-D122 HydrophobicContact CD2-CB 3.76Å; L118-L145 WeakPolarHBondContact O-CD1 3.18Å
119	C	95.6	Very high	95.3	Very high	43 Å²	43	49.4 Å²	49.4	29%	0.291	28%	0.283	S	S	.	.			trans	-111.1	-175.9	176	63.8	0	0	0	0	111.9	S117 E121 D122 I123	S117-C119 PolarHBondContact O-N 3.28Å; C119-E121 VanDerWaalsContact C-N 3.34Å; C119-E121 WeakPolarHBondContact CB-OE2 3.2Å; C119-E121 PolarHBondContact SG-OE2 3.43Å; C119-D122 PolarHBondContact N-OD2 3.08Å; C119-D122 PolarHBondContact O-N 3.31Å; C119-D122 PolarHBondContact SG-OD2 3.37Å; C119-I123 PolarHBondContact O-N 3.28Å
120	E	96.4	Very high	95.3	Very high	62 Å²	62	45.6 Å²	45.6	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-66.7	-38.4	-178.1	-74.5	171.2	-139.3	0	0	111.9	D122 I123 A124 L145 K148 L149	E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 3.46Å; E120-I123 PolarHBondContact O-N 3.28Å; E120-I123 VanDerWaalsContact O-N 3.13Å; E120-A124 VanDerWaalsContact O-CB 3.25Å; E120-A124 WeakPolarHBondContact O-CB 3.32Å; E120-A124 PolarHBondContact O-N 3.14Å; E120-L145 HydrophobicContact CG-CD2 3.95Å; E120-K148 WeakPolarHBondContact OE1-CD 3.41Å; E120-K148 WeakPolarHBondContact OE1-CE 3.25Å; E120-K148 IonicContact OE1-NZ 2.79Å; E120-K148 PolarHBondContact OE1-NZ 2.76Å; E120-K148 VanDerWaalsContact OE2-CE 3.31Å; E120-K148 WeakPolarHBondContact OE2-CE 3.41Å; E120-K148 IonicContact OE2-NZ 3.62Å; E120-K148 PolarHBondContact OE2-NZ 3.25Å; E120-L149 HydrophobicContact CB-CD1 4.06Å; E120-L149 HydrophobicContact CB-CD2 4.27Å; E120-L149 HydrophobicContact CG-CD1 4.17Å; E120-L149 HydrophobicContact CG-CD2 4.3Å; E120-L149 HydrophobicContact CG-CG 4.4Å; E120-L149 WeakPolarHBondContact O-CD1 3.48Å
121	E	96.4	Very high	95.3	Very high	140 Å²	140	43.7 Å²	43.7	65%	0.654	25%	0.246	S	C	*	.	H	α-helix	trans	-64.2	-33.9	178.2	-60.6	73.4	-160.2	0	0	111.8	C119 I123 P125	C119-E121 VanDerWaalsContact C-N 3.34Å; C119-E121 WeakPolarHBondContact CB-OE2 3.2Å; C119-E121 PolarHBondContact SG-OE2 3.43Å; E121-I123 VanDerWaalsContact C-N 3.34Å; E121-P125 VanDerWaalsContact O-CD 3.32Å; E121-P125 WeakPolarHBondContact O-CD 3.28Å
122	D	96.1	Very high	95.2	Very high	22 Å²	22	41.9 Å²	41.9	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-72	-28.9	176.4	-68.6	-39.5	0	0	0	111.7	K113 L118 C119 E120 Y126	K113-D122 IonicContact NZ-OD1 3.63Å; K113-D122 PolarHBondContact NZ-OD1 3.46Å; K113-D122 IonicContact NZ-OD2 3.24Å; K113-D122 PolarHBondContact NZ-OD2 2.69Å; L118-D122 HydrophobicContact CD2-CB 3.76Å; C119-D122 PolarHBondContact N-OD2 3.08Å; C119-D122 PolarHBondContact O-N 3.31Å; C119-D122 PolarHBondContact SG-OD2 3.37Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 3.46Å; D122-Y126 WeakPolarHBondContact O-CD2 3.12Å; D122-Y126 WeakPolarHBondContact O-CE2 3.47Å
123	I	95.7	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-95.2	-36.4	-175.6	-70.3	172.1	0	0	0	111.9	C119 E120 E121 P125 Y126 V129 L145 L149 I151	C119-I123 PolarHBondContact O-N 3.28Å; E120-I123 PolarHBondContact O-N 3.28Å; E120-I123 VanDerWaalsContact O-N 3.13Å; E121-I123 VanDerWaalsContact C-N 3.34Å; I123-P125 VanDerWaalsContact C-N 3.3Å; I123-P125 WeakPolarHBondContact O-CD 3.39Å; I123-P125 VanDerWaalsContact O-N 3.08Å; I123-Y126 WeakPolarHBondContact O-CD2 3.35Å; I123-Y126 PolarHBondContact O-N 3.23Å; I123-V129 HydrophobicContact CG1-CG2 4.39Å; I123-V129 HydrophobicContact CG2-CG2 3.81Å; I123-L145 HydrophobicContact CD1-CB 3.61Å; I123-L145 HydrophobicContact CD1-CD1 3.73Å; I123-L145 HydrophobicContact CD1-CG 4.32Å; I123-L149 HydrophobicContact CB-CD1 3.97Å; I123-L149 HydrophobicContact CG2-CD1 3.83Å; I123-I151 HydrophobicContact CG2-CB 4.46Å; I123-I151 HydrophobicContact CG2-CD1 3.75Å; I123-I151 HydrophobicContact CG2-CG2 4.28Å; I123-I151 VanDerWaalsContact O-CD1 3.25Å; I123-I151 WeakPolarHBondContact O-CD1 3.46Å
124	A	96.1	Very high	95.2	Very high	57 Å²	57	37.2 Å²	37.2	47%	0.471	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-36.5	-173.9	0	0	0	0	0	116.2	E120 Y126 L149	E120-A124 VanDerWaalsContact O-CB 3.25Å; E120-A124 WeakPolarHBondContact O-CB 3.32Å; E120-A124 PolarHBondContact O-N 3.14Å; A124-Y126 PolarHBondContact O-N 2.86Å; A124-L149 HydrophobicContact CB-CD1 4.32Å
125	P	95.9	Very high	94.9	Very high	65 Å²	65	34.6 Å²	34.6	42%	0.422	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.9	-178.8	-20	34.4	0	0	0	115.3	R62 E121 I123	R62-P125 PolarHBondContact NH2-O 3.33Å; E121-P125 VanDerWaalsContact O-CD 3.32Å; E121-P125 WeakPolarHBondContact O-CD 3.28Å; I123-P125 VanDerWaalsContact C-N 3.3Å; I123-P125 WeakPolarHBondContact O-CD 3.39Å; I123-P125 VanDerWaalsContact O-N 3.08Å
126	Y	96.2	Very high	94.6	Very high	25 Å²	25	35.3 Å²	35.3	10%	0.098	20%	0.199	C	C	.	.			trans	-100.9	144.3	-172.6	-59.7	-73.4	0	0	0	112.1	D38 V39 L40 T64 D122 I123 A124 I151	D38-Y126 HydrophobicContact CB-CD1 4.03Å; V39-Y126 VanDerWaalsContact C-CD1 3.47Å; L40-Y126 HydrophobicContact CB-CD1 3.85Å; L40-Y126 HydrophobicContact CB-CD2 3.61Å; L40-Y126 HydrophobicContact CB-CE1 3.98Å; L40-Y126 HydrophobicContact CB-CE2 3.73Å; L40-Y126 HydrophobicContact CB-CG 3.67Å; L40-Y126 HydrophobicContact CD1-CE2 4.14Å; L40-Y126 HydrophobicContact CD2-CD2 4.1Å; L40-Y126 HydrophobicContact CD2-CE2 3.97Å; L40-Y126 HydrophobicContact CG-CD2 4.37Å; L40-Y126 HydrophobicContact CG-CE2 4.16Å; T64-Y126 WeakPolarHBondContact CB-OH 3.38Å; T64-Y126 VanDerWaalsContact CG2-OH 3.27Å; T64-Y126 WeakPolarHBondContact CG2-OH 3.32Å; T64-Y126 VanDerWaalsContact OG1-CE1 3.32Å; T64-Y126 WeakPolarHBondContact OG1-CE1 3.16Å; T64-Y126 PolarHBondContact OG1-OH 2.83Å; D122-Y126 WeakPolarHBondContact O-CD2 3.12Å; D122-Y126 WeakPolarHBondContact O-CE2 3.47Å; I123-Y126 WeakPolarHBondContact O-CD2 3.35Å; I123-Y126 PolarHBondContact O-N 3.23Å; A124-Y126 PolarHBondContact O-N 2.86Å; Y126-I151 WeakPolarHBondContact O-CD1 3.43Å; Y126-I151 WeakPolarHBondContact O-CG1 3.48Å; Y126-I151 WeakPolarHBondContact O-CG2 3.5Å
127	T	94	Very high	94.3	Very high	20 Å²	20	33 Å²	33	12%	0.123	19%	0.189	C	C	.	.	S	Bend	trans	-76.5	-37.9	172.6	-38.5	0	0	0	0	110.8	D38 H152 M304	D38-T127 PolarHBondContact N-OG1 3.34Å; D38-T127 WeakPolarHBondContact O-CB 3.34Å; D38-T127 PolarHBondContact O-N 2.93Å; T127-H152 WeakPolarHBondContact O-CB 3.26Å; T127-H152 PolarHBondContact O-N 2.81Å; T127-H152 PolarHBondContact O-ND1 2.97Å; T127-M304 HydrophobicContact CG2-CE 3.42Å; T127-M304 VanDerWaalsContact CG2-CE 3.42Å; T127-M304 HydrophobicContact CG2-SD 3.19Å; T127-M304 WeakPolarHBondContact CG2-SD 3.39Å
128	I	95.1	Very high	94.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.7	176.2	-174.9	170.9	0	0	0	111.7	D38 V39 L40 I130 H152 C154 F169 I296	D38-I128 PolarHBondContact O-N 3.22Å; V39-I128 WeakPolarHBondContact CA-O 3.01Å; V39-I128 HydrophobicContact CB-CG2 4.27Å; V39-I128 HydrophobicContact CG1-CG2 4.08Å; V39-I128 HydrophobicContact CG2-CG2 3.68Å; L40-I128 PolarHBondContact N-O 3.36Å; L40-I128 VanDerWaalsContact N-O 3.11Å; I128-I130 HydrophobicContact CD1-CG1 4.27Å; I128-I130 HydrophobicContact CG1-CG1 4.17Å; I128-H152 CarbonylContact C-O 3.58Å; I128-H152 VanDerWaalsContact CA-O 3.29Å; I128-H152 WeakPolarHBondContact CA-O 3.46Å; I128-H152 HydrophobicContact CB-CB 3.87Å; I128-H152 HydrophobicContact CD1-CB 4.24Å; I128-H152 HydrophobicContact CG1-CB 3.84Å; I128-C154 HydrophobicContact CD1-CB 4.37Å; I128-F169 HydrophobicContact CD1-CE1 3.88Å; I128-I296 HydrophobicContact CD1-CB 4.37Å; I128-I296 HydrophobicContact CD1-CD1 4.14Å; I128-I296 HydrophobicContact CD1-CG1 3.82Å; I128-I296 HydrophobicContact CD1-CG2 3.76Å
129	V	96.8	Very high	94	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.4	170.3	-179.6	0	0	0	0	109.6	L40 I123 L131 I151 H152 F153 C154	L40-V129 HydrophobicContact CB-CG1 4.42Å; L40-V129 HydrophobicContact CB-CG2 4.23Å; L40-V129 HydrophobicContact CD2-CG1 4.1Å; L40-V129 HydrophobicContact CD2-CG2 4.28Å; L40-V129 HydrophobicContact CG-CG1 4.39Å; I123-V129 HydrophobicContact CG1-CG2 4.39Å; I123-V129 HydrophobicContact CG2-CG2 3.81Å; V129-L131 HydrophobicContact CG1-CD1 3.54Å; V129-I151 HydrophobicContact CG2-CG2 4.13Å; V129-H152 PolarHBondContact N-O 3.03Å; V129-F153 HydrophobicContact CB-CD2 4.44Å; V129-F153 WeakPolarHBondContact O-CA 3.19Å; V129-C154 PolarHBondContact O-N 3.18Å
130	I	97.5	Very high	93.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.4	-178.7	-53.4	168.6	0	0	0	108.8	V39 L40 L41 V42 L55 I128 T132 C154 I296	V39-I130 HydrophobicContact CG1-CD1 3.54Å; V39-I130 HydrophobicContact CG1-CG1 4.13Å; L40-I130 PolarHBondContact O-N 2.82Å; L41-I130 WeakPolarHBondContact CA-O 3.31Å; L41-I130 HydrophobicContact CD1-CB 3.86Å; L41-I130 HydrophobicContact CD1-CG2 3.74Å; V42-I130 PolarHBondContact N-O 3.15Å; L55-I130 HydrophobicContact CD1-CD1 3.67Å; L55-I130 HydrophobicContact CD2-CD1 4.26Å; I128-I130 HydrophobicContact CD1-CG1 4.27Å; I128-I130 HydrophobicContact CG1-CG1 4.17Å; I130-T132 HydrophobicContact CG2-CG2 4.24Å; I130-C154 CarbonylContact C-O 3.58Å; I130-C154 VanDerWaalsContact CA-O 3.28Å; I130-C154 WeakPolarHBondContact CA-O 3.42Å; I130-C154 HydrophobicContact CG1-CB 4.27Å; I130-C154 HydrophobicContact CG2-CB 4.43Å; I130-I296 HydrophobicContact CD1-CD1 3.59Å; I130-I296 HydrophobicContact CG1-CD1 4Å
131	L	97.1	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.4	173.2	-87.7	59.8	0	0	0	109.9	V42 V129 Q134 C139 A142 F153 C154 S155 L156	V42-L131 HydrophobicContact CB-CD1 3.8Å; V42-L131 HydrophobicContact CB-CG 3.8Å; V42-L131 HydrophobicContact CG1-CD1 4.41Å; V42-L131 HydrophobicContact CG1-CG 4.01Å; V42-L131 HydrophobicContact CG2-CD1 3.71Å; V42-L131 HydrophobicContact CG2-CG 4.23Å; V129-L131 HydrophobicContact CG1-CD1 3.54Å; L131-Q134 HydrophobicContact CB-CB 4.3Å; L131-Q134 HydrophobicContact CB-CG 3.94Å; L131-Q134 HydrophobicContact CD2-CB 4.17Å; L131-Q134 HydrophobicContact CD2-CG 4.12Å; L131-Q134 HydrophobicContact CG-CB 4.42Å; L131-Q134 HydrophobicContact CG-CG 3.91Å; L131-C139 HydrophobicContact CD2-CB 4.46Å; L131-A142 HydrophobicContact CD1-CB 4.15Å; L131-A142 HydrophobicContact CD2-CB 3.74Å; L131-F153 HydrophobicContact CD1-CE2 3.98Å; L131-F153 HydrophobicContact CD2-CE2 4.26Å; L131-F153 HydrophobicContact CD2-CZ 4.47Å; L131-C154 PolarHBondContact N-O 3.31Å; L131-S155 CarbonylContact O-C 3.59Å; L131-S155 VanDerWaalsContact O-CA 3.24Å; L131-S155 WeakPolarHBondContact O-CA 3.34Å; L131-L156 PolarHBondContact O-N 3.04Å
132	T	96.1	Very high	93.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134	172.6	77	0	0	0	0	110.6	L41 V42 G43 L47 G48 I130 Q134 L156	L41-T132 HydrophobicContact CD1-CG2 3.83Å; V42-T132 PolarHBondContact O-N 3.47Å; V42-T132 PolarHBondContact O-OG1 3.28Å; G43-T132 PolarHBondContact O-OG1 2.99Å; L47-T132 HydrophobicContact CG-CG2 4.5Å; G48-T132 VanDerWaalsContact CA-OG1 3.31Å; G48-T132 WeakPolarHBondContact CA-OG1 3.41Å; G48-T132 PolarHBondContact N-OG1 3.48Å; I130-T132 HydrophobicContact CG2-CG2 4.24Å; T132-Q134 WeakPolarHBondContact O-CG 3.25Å; T132-Q134 PolarHBondContact O-N 3.41Å; T132-Q134 PolarHBondContact O-NE2 2.68Å; T132-L156 CarbonylContact C-O 3.48Å; T132-L156 WeakPolarHBondContact CA-O 3.35Å; T132-L156 HydrophobicContact CG2-CB 4.42Å; T132-L156 HydrophobicContact CG2-CD1 4.42Å
133	D	93.3	Very high	93.3	Very high	44 Å²	44	25.1 Å²	25.1	24%	0.235	14%	0.142	C	C	.	.	S	Bend	trans	48.4	35.9	177.7	-64.6	-34.8	0	0	0	115	L156 S157 L158 R247	D133-L156 PolarHBondContact N-O 2.9Å; D133-S157 WeakPolarHBondContact OD1-CA 3.38Å; D133-L158 PolarHBondContact OD1-N 3.1Å; D133-R247 VanDerWaalsContact CG-NH2 3.35Å; D133-R247 VanDerWaalsContact O-CD 3.27Å; D133-R247 WeakPolarHBondContact O-CD 3.47Å; D133-R247 PolarHBondContact O-NE 3.47Å; D133-R247 PolarHBondContact O-NH1 3.43Å; D133-R247 IonicContact OD1-CZ 3.16Å; D133-R247 IonicContact OD1-NH2 2.68Å; D133-R247 PolarHBondContact OD1-NH2 3.45Å
134	Q	92.8	Very high	93.1	Very high	38 Å²	38	32.3 Å²	32.3	18%	0.178	17%	0.173	C	C	.	.			trans	-91	159.8	174	-60.6	-51.1	-59	0	0	111.8	V42 L131 T132 A138 R247	V42-Q134 HydrophobicContact CG1-CG 3.9Å; L131-Q134 HydrophobicContact CB-CB 4.3Å; L131-Q134 HydrophobicContact CB-CG 3.94Å; L131-Q134 HydrophobicContact CD2-CB 4.17Å; L131-Q134 HydrophobicContact CD2-CG 4.12Å; L131-Q134 HydrophobicContact CG-CB 4.42Å; L131-Q134 HydrophobicContact CG-CG 3.91Å; T132-Q134 WeakPolarHBondContact O-CG 3.25Å; T132-Q134 PolarHBondContact O-N 3.41Å; T132-Q134 PolarHBondContact O-NE2 2.68Å; Q134-A138 HydrophobicContact CB-CB 4.41Å; Q134-R247 PolarHBondContact O-NH1 2.87Å
135	S	88.8	Confident	93	Very high	21 Å²	21	31 Å²	31	15%	0.147	16%	0.158	C	C	.	.			trans	-66.9	150.6	176.7	70.8	0	0	0	0	111.4	P137 A138 C139	S135-P137 VanDerWaalsContact C-N 3.34Å; S135-A138 PolarHBondContact O-N 3.36Å; S135-A138 VanDerWaalsContact O-N 3.1Å; S135-A138 PolarHBondContact OG-N 3.3Å; S135-C139 PolarHBondContact O-N 2.87Å
136	Q	85.9	Confident	92.9	Very high	37 Å²	37	27.9 Å²	27.9	17%	0.173	14%	0.138	C	C	.	.	H	α-helix	trans	-53.5	-42.1	175.8	-166.9	-168.7	35.3	0	0	113.8	A138 C139 N140 L238 E241	Q136-A138 PolarHBondContact O-N 3.44Å; Q136-C139 PolarHBondContact O-N 2.94Å; Q136-N140 WeakPolarHBondContact O-CB 3.47Å; Q136-N140 VanDerWaalsContact O-CG 3.26Å; Q136-N140 PolarHBondContact O-N 2.83Å; Q136-N140 PolarHBondContact O-ND2 2.78Å; Q136-L238 HydrophobicContact CB-CD2 4.26Å; Q136-L238 HydrophobicContact CG-CD2 4.17Å; Q136-L238 PolarHBondContact OE1-O 2.92Å; Q136-E241 HydrophobicContact CB-CB 4.26Å; Q136-E241 PolarHBondContact N-OE2 3.38Å
137	P	86	Confident	92.7	Very high	46 Å²	46	33.7 Å²	33.7	30%	0.299	16%	0.16	S	C	.	.	H	α-helix	trans	-59	-41.2	174.8	-26.4	36.4	0	0	0	114	S135 N140 R141	S135-P137 VanDerWaalsContact C-N 3.34Å; P137-N140 PolarHBondContact O-N 3.27Å; P137-R141 PolarHBondContact O-N 2.87Å
138	A	91.2	Very high	92.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.2	-45.9	177.1	0	0	0	0	0	111.4	V115 Q134 S135 Q136 N140 R141 A142	V115-A138 HydrophobicContact CG2-CB 4.26Å; Q134-A138 HydrophobicContact CB-CB 4.41Å; S135-A138 PolarHBondContact O-N 3.36Å; S135-A138 VanDerWaalsContact O-N 3.1Å; S135-A138 PolarHBondContact OG-N 3.3Å; Q136-A138 PolarHBondContact O-N 3.44Å; A138-N140 VanDerWaalsContact C-N 3.34Å; A138-N140 PolarHBondContact O-N 3.31Å; A138-R141 PolarHBondContact O-N 2.76Å; A138-A142 PolarHBondContact O-N 3.47Å
139	C	92	Very high	92.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-56.9	-45.9	174.8	-69.2	0	0	0	0	112	L131 S135 Q136 R141 A142 C143 F153	L131-C139 HydrophobicContact CD2-CB 4.46Å; S135-C139 PolarHBondContact O-N 2.87Å; Q136-C139 PolarHBondContact O-N 2.94Å; C139-R141 VanDerWaalsContact C-N 3.34Å; C139-R141 PolarHBondContact O-N 2.76Å; C139-A142 PolarHBondContact O-N 2.89Å; C139-C143 WeakPolarHBondContact O-CB 3.47Å; C139-C143 PolarHBondContact O-N 2.78Å; C139-F153 HydrophobicContact CB-CZ 4.41Å; C139-F153 WeakPolarHBondContact O-CZ 3.39Å
140	N	89.5	Confident	92.4	Very high	70 Å²	70	46.1 Å²	46.1	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-38.4	178.4	-74.1	-21.3	0	0	0	112.6	Q136 P137 A138 K144	Q136-N140 WeakPolarHBondContact O-CB 3.47Å; Q136-N140 VanDerWaalsContact O-CG 3.26Å; Q136-N140 PolarHBondContact O-N 2.83Å; Q136-N140 PolarHBondContact O-ND2 2.78Å; P137-N140 PolarHBondContact O-N 3.27Å; A138-N140 VanDerWaalsContact C-N 3.34Å; A138-N140 PolarHBondContact O-N 3.31Å; N140-K144 VanDerWaalsContact O-CG 3.3Å; N140-K144 WeakPolarHBondContact O-CG 3.47Å; N140-K144 PolarHBondContact O-N 2.82Å; N140-K144 VanDerWaalsContact O-N 3.14Å
141	R	91.6	Very high	92.1	Very high	83 Å²	83	46.3 Å²	46.3	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-65.8	-51	176.9	-167.2	-167.1	-42.8	110.2	-1.5	110.9	D116 P137 A138 C139 C143 K144 L145	D116-R141 VanDerWaalsContact CA-NH1 3.33Å; D116-R141 IonicContact OD1-CZ 3.33Å; D116-R141 IonicContact OD1-NH1 3.4Å; D116-R141 PolarHBondContact OD1-NH1 3.46Å; D116-R141 IonicContact OD1-NH2 3.27Å; D116-R141 PolarHBondContact OD1-NH2 2.86Å; P137-R141 PolarHBondContact O-N 2.87Å; A138-R141 PolarHBondContact O-N 2.76Å; C139-R141 VanDerWaalsContact C-N 3.34Å; C139-R141 PolarHBondContact O-N 2.76Å; R141-C143 PolarHBondContact O-N 2.75Å; R141-K144 PolarHBondContact O-N 2.79Å; R141-L145 WeakPolarHBondContact O-CG 3.24Å; R141-L145 PolarHBondContact O-N 2.81Å
142	A	94.2	Very high	91.9	Very high	4 Å²	4	47 Å²	47	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-44.1	179.1	0	0	0	0	0	111.7	L131 A138 C139 K144 L145 C146 F153	L131-A142 HydrophobicContact CD1-CB 4.15Å; L131-A142 HydrophobicContact CD2-CB 3.74Å; A138-A142 PolarHBondContact O-N 3.47Å; C139-A142 PolarHBondContact O-N 2.89Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-K144 PolarHBondContact O-N 2.89Å; A142-L145 PolarHBondContact O-N 2.92Å; A142-C146 WeakPolarHBondContact O-CB 3.47Å; A142-C146 PolarHBondContact O-N 3.08Å; A142-C146 PolarHBondContact O-SG 3.38Å; A142-F153 HydrophobicContact CB-CD2 4.38Å; A142-F153 HydrophobicContact CB-CE2 3.68Å; A142-F153 HydrophobicContact CB-CZ 4.46Å
143	C	93.1	Very high	91.8	Very high	13 Å²	13	46.9 Å²	46.9	9%	0.088	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-45	175	-179.7	0	0	0	0	112	C139 R141 C146 R147 F153	C139-C143 WeakPolarHBondContact O-CB 3.47Å; C139-C143 PolarHBondContact O-N 2.78Å; R141-C143 PolarHBondContact O-N 2.75Å; C143-C146 PolarHBondContact O-N 3.01Å; C143-R147 WeakPolarHBondContact O-CG 3.34Å; C143-R147 PolarHBondContact O-N 2.81Å; C143-F153 HydrophobicContact CB-CD1 3.77Å; C143-F153 HydrophobicContact CB-CD2 4.46Å; C143-F153 HydrophobicContact CB-CE1 3.67Å; C143-F153 HydrophobicContact CB-CE2 4.35Å; C143-F153 HydrophobicContact CB-CG 4.17Å; C143-F153 HydrophobicContact CB-CZ 3.97Å
144	K	92.1	Very high	91.8	Very high	151 Å²	151	44.8 Å²	44.8	66%	0.657	21%	0.206	S	C	*	.	H	α-helix	trans	-62.6	-43.4	176.4	-75.2	174.2	-177.8	-177.8	0	112.6	N140 R141 A142 R147 K148	N140-K144 VanDerWaalsContact O-CG 3.3Å; N140-K144 WeakPolarHBondContact O-CG 3.47Å; N140-K144 PolarHBondContact O-N 2.82Å; N140-K144 VanDerWaalsContact O-N 3.14Å; R141-K144 PolarHBondContact O-N 2.79Å; A142-K144 VanDerWaalsContact C-N 3.35Å; A142-K144 PolarHBondContact O-N 2.89Å; K144-R147 PolarHBondContact O-N 2.87Å; K144-K148 PolarHBondContact O-N 3.36Å
145	L	94.4	Very high	91.9	Very high	30 Å²	30	43 Å²	43	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-45.6	176.1	-68.7	170.3	0	0	0	111	L118 E120 I123 R141 A142 R147 K148 L149	L118-L145 WeakPolarHBondContact O-CD1 3.18Å; E120-L145 HydrophobicContact CG-CD2 3.95Å; I123-L145 HydrophobicContact CD1-CB 3.61Å; I123-L145 HydrophobicContact CD1-CD1 3.73Å; I123-L145 HydrophobicContact CD1-CG 4.32Å; R141-L145 WeakPolarHBondContact O-CG 3.24Å; R141-L145 PolarHBondContact O-N 2.81Å; A142-L145 PolarHBondContact O-N 2.92Å; L145-R147 PolarHBondContact O-N 2.81Å; L145-K148 WeakPolarHBondContact O-CB 3.46Å; L145-K148 PolarHBondContact O-N 3.23Å; L145-L149 WeakPolarHBondContact O-CG 3.42Å; L145-L149 PolarHBondContact O-N 3.21Å
146	C	94.1	Very high	92.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-47.1	177.3	-66.7	0	0	0	0	111.5	A142 C143 K148 L149 K150 I151 F153	A142-C146 WeakPolarHBondContact O-CB 3.47Å; A142-C146 PolarHBondContact O-N 3.08Å; A142-C146 PolarHBondContact O-SG 3.38Å; C143-C146 PolarHBondContact O-N 3.01Å; C146-K148 VanDerWaalsContact C-N 3.35Å; C146-K148 PolarHBondContact O-N 2.82Å; C146-L149 CarbonylContact O-C 3.46Å; C146-L149 PolarHBondContact O-N 2.83Å; C146-K150 CarbonylContact O-C 3.54Å; C146-K150 WeakPolarHBondContact O-CA 3.4Å; C146-K150 PolarHBondContact O-N 3.33Å; C146-I151 HydrophobicContact CB-CB 4.37Å; C146-I151 WeakPolarHBondContact CB-O 3.41Å; C146-I151 PolarHBondContact O-N 3.03Å; C146-F153 HydrophobicContact CB-CB 3.81Å; C146-F153 HydrophobicContact CB-CD2 4.46Å; C146-F153 HydrophobicContact CB-CG 4.48Å
147	R	92.1	Very high	92.4	Very high	146 Å²	146	40.4 Å²	40.4	55%	0.551	18%	0.183	S	C	*	.	H	α-helix	trans	-57.6	-44	174	-75.7	-179.2	-179.6	176.5	3.8	112.8	C143 K144 L145 L149 K150 D168	C143-R147 WeakPolarHBondContact O-CG 3.34Å; C143-R147 PolarHBondContact O-N 2.81Å; K144-R147 PolarHBondContact O-N 2.87Å; L145-R147 PolarHBondContact O-N 2.81Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 3.25Å; R147-K150 PolarHBondContact O-N 3.13Å; R147-K150 VanDerWaalsContact O-N 3.15Å; R147-D168 IonicContact CZ-OD2 3.69Å; R147-D168 IonicContact NE-OD2 2.71Å; R147-D168 PolarHBondContact NE-OD2 3.47Å; R147-D168 IonicContact NH2-OD2 3.66Å; R147-D168 PolarHBondContact NH2-OD2 2.91Å
148	K	93	Very high	92.6	Very high	139 Å²	139	39.3 Å²	39.3	60%	0.604	18%	0.175	S	C	*	.	H	α-helix	trans	-59.1	-40.9	178.3	-176.9	-177.3	176.3	-167.9	0	111.3	E120 K144 L145 C146 K150	E120-K148 WeakPolarHBondContact OE1-CD 3.41Å; E120-K148 WeakPolarHBondContact OE1-CE 3.25Å; E120-K148 IonicContact OE1-NZ 2.79Å; E120-K148 PolarHBondContact OE1-NZ 2.76Å; E120-K148 VanDerWaalsContact OE2-CE 3.31Å; E120-K148 WeakPolarHBondContact OE2-CE 3.41Å; E120-K148 IonicContact OE2-NZ 3.62Å; E120-K148 PolarHBondContact OE2-NZ 3.25Å; K144-K148 PolarHBondContact O-N 3.36Å; L145-K148 WeakPolarHBondContact O-CB 3.46Å; L145-K148 PolarHBondContact O-N 3.23Å; C146-K148 VanDerWaalsContact C-N 3.35Å; C146-K148 PolarHBondContact O-N 2.82Å; K148-K150 VanDerWaalsContact C-N 3.34Å
149	L	93.6	Very high	92.6	Very high	39 Å²	39	39.6 Å²	39.6	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-88.6	-0.1	-179.6	-61.2	173	0	0	0	113.5	E120 I123 A124 L145 C146 R147 I151 R307	E120-L149 HydrophobicContact CB-CD1 4.06Å; E120-L149 HydrophobicContact CB-CD2 4.27Å; E120-L149 HydrophobicContact CG-CD1 4.17Å; E120-L149 HydrophobicContact CG-CD2 4.3Å; E120-L149 HydrophobicContact CG-CG 4.4Å; E120-L149 WeakPolarHBondContact O-CD1 3.48Å; I123-L149 HydrophobicContact CB-CD1 3.97Å; I123-L149 HydrophobicContact CG2-CD1 3.83Å; A124-L149 HydrophobicContact CB-CD1 4.32Å; L145-L149 WeakPolarHBondContact O-CG 3.42Å; L145-L149 PolarHBondContact O-N 3.21Å; C146-L149 CarbonylContact O-C 3.46Å; C146-L149 PolarHBondContact O-N 2.83Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 3.25Å; L149-I151 HydrophobicContact CB-CD1 3.74Å; L149-I151 HydrophobicContact CB-CG1 4.03Å; L149-I151 HydrophobicContact CD1-CD1 4.18Å; L149-I151 PolarHBondContact O-N 2.86Å; L149-R307 PolarHBondContact O-NH1 3.26Å
150	K	91.7	Very high	92.3	Very high	105 Å²	105	40 Å²	40	46%	0.457	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	37.8	-172.1	-58.8	178.1	173.5	-159.2	0	113	C146 R147 K148 E172 R307	C146-K150 CarbonylContact O-C 3.54Å; C146-K150 WeakPolarHBondContact O-CA 3.4Å; C146-K150 PolarHBondContact O-N 3.33Å; R147-K150 PolarHBondContact O-N 3.13Å; R147-K150 VanDerWaalsContact O-N 3.15Å; K148-K150 VanDerWaalsContact C-N 3.34Å; K150-E172 IonicContact NZ-OE1 2.64Å; K150-R307 VanDerWaalsContact C-NH1 3.32Å; K150-R307 VanDerWaalsContact CB-CZ 3.49Å; K150-R307 VanDerWaalsContact CB-NH2 3.26Å; K150-R307 VanDerWaalsContact O-CZ 3.22Å; K150-R307 PolarHBondContact O-NH1 3.09Å
151	I	92.3	Very high	92.1	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	18%	0.181	C	C	.	.			trans	-96.6	143.4	177.6	-71.3	170.4	0	0	0	109	I123 Y126 V129 C146 L149 Q170	I123-I151 HydrophobicContact CG2-CB 4.46Å; I123-I151 HydrophobicContact CG2-CD1 3.75Å; I123-I151 HydrophobicContact CG2-CG2 4.28Å; I123-I151 VanDerWaalsContact O-CD1 3.25Å; I123-I151 WeakPolarHBondContact O-CD1 3.46Å; Y126-I151 WeakPolarHBondContact O-CD1 3.43Å; Y126-I151 WeakPolarHBondContact O-CG1 3.48Å; Y126-I151 WeakPolarHBondContact O-CG2 3.5Å; V129-I151 HydrophobicContact CG2-CG2 4.13Å; C146-I151 HydrophobicContact CB-CB 4.37Å; C146-I151 WeakPolarHBondContact CB-O 3.41Å; C146-I151 PolarHBondContact O-N 3.03Å; L149-I151 HydrophobicContact CB-CD1 3.74Å; L149-I151 HydrophobicContact CB-CG1 4.03Å; L149-I151 HydrophobicContact CD1-CD1 4.18Å; L149-I151 PolarHBondContact O-N 2.86Å; I151-Q170 PolarHBondContact O-NE2 3.28Å
152	H	92.6	Very high	91.9	Very high	13 Å²	13	36.7 Å²	36.7	6%	0.06	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	143.9	-179.2	-61.8	65.6	0	0	0	109.2	T127 I128 V129 F169 M304	T127-H152 WeakPolarHBondContact O-CB 3.26Å; T127-H152 PolarHBondContact O-N 2.81Å; T127-H152 PolarHBondContact O-ND1 2.97Å; I128-H152 CarbonylContact C-O 3.58Å; I128-H152 VanDerWaalsContact CA-O 3.29Å; I128-H152 WeakPolarHBondContact CA-O 3.46Å; I128-H152 HydrophobicContact CB-CB 3.87Å; I128-H152 HydrophobicContact CD1-CB 4.24Å; I128-H152 HydrophobicContact CG1-CB 3.84Å; V129-H152 PolarHBondContact N-O 3.03Å; H152-F169 HydrophobicContact CB-CD1 4.09Å; H152-F169 AromaticContact CD2-CD1 3.9Å; H152-F169 PolarHBondContact CD2-O 3.09Å; H152-F169 PolarHBondContact NE2-O 3.19Å; H152-M304 HydrophobicContact CB-CE 4.42Å
153	F	93.4	Very high	91.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.7	-178.1	174.1	-94	0	0	0	111.2	V129 L131 C139 A142 C143 C146 I166 D168	V129-F153 HydrophobicContact CB-CD2 4.44Å; V129-F153 WeakPolarHBondContact O-CA 3.19Å; L131-F153 HydrophobicContact CD1-CE2 3.98Å; L131-F153 HydrophobicContact CD2-CE2 4.26Å; L131-F153 HydrophobicContact CD2-CZ 4.47Å; C139-F153 HydrophobicContact CB-CZ 4.41Å; C139-F153 WeakPolarHBondContact O-CZ 3.39Å; A142-F153 HydrophobicContact CB-CD2 4.38Å; A142-F153 HydrophobicContact CB-CE2 3.68Å; A142-F153 HydrophobicContact CB-CZ 4.46Å; C143-F153 HydrophobicContact CB-CD1 3.77Å; C143-F153 HydrophobicContact CB-CD2 4.46Å; C143-F153 HydrophobicContact CB-CE1 3.67Å; C143-F153 HydrophobicContact CB-CE2 4.35Å; C143-F153 HydrophobicContact CB-CG 4.17Å; C143-F153 HydrophobicContact CB-CZ 3.97Å; C146-F153 HydrophobicContact CB-CB 3.81Å; C146-F153 HydrophobicContact CB-CD2 4.46Å; C146-F153 HydrophobicContact CB-CG 4.48Å; F153-I166 HydrophobicContact CE1-CB 4.47Å; F153-I166 HydrophobicContact CE1-CG2 4.37Å; F153-D168 HydrophobicContact CB-CB 4.25Å; F153-D168 HydrophobicContact CD1-CB 4.37Å; F153-D168 PolarHBondContact N-O 3.39Å; F153-D168 PolarHBondContact O-N 3.38Å
154	C	94.1	Very high	91.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.9	171	175.2	0	0	0	0	109.4	I128 V129 I130 L131 I166 L167 I292 I296	I128-C154 HydrophobicContact CD1-CB 4.37Å; V129-C154 PolarHBondContact O-N 3.18Å; I130-C154 CarbonylContact C-O 3.58Å; I130-C154 VanDerWaalsContact CA-O 3.28Å; I130-C154 WeakPolarHBondContact CA-O 3.42Å; I130-C154 HydrophobicContact CG1-CB 4.27Å; I130-C154 HydrophobicContact CG2-CB 4.43Å; L131-C154 PolarHBondContact N-O 3.31Å; C154-I166 CarbonylContact C-O 3.44Å; C154-I166 VanDerWaalsContact CA-O 3.25Å; C154-I166 WeakPolarHBondContact CA-O 3.29Å; C154-L167 HydrophobicContact CB-CD2 4.06Å; C154-L167 WeakPolarHBondContact SG-CD2 3.34Å; C154-I292 VanDerWaalsContact SG-CG2 3.55Å; C154-I296 HydrophobicContact CB-CD1 4.25Å
155	S	93.7	Very high	91.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.1	162.7	72.9	0	0	0	0	110.8	L131 G165 I166	L131-S155 CarbonylContact O-C 3.59Å; L131-S155 VanDerWaalsContact O-CA 3.24Å; L131-S155 WeakPolarHBondContact O-CA 3.34Å; S155-G165 CarbonylContact O-C 3.59Å; S155-G165 WeakPolarHBondContact O-CA 3.35Å; S155-I166 PolarHBondContact N-O 3.29Å; S155-I166 PolarHBondContact O-N 3.31Å; S155-I166 WeakPolarHBondContact OG-CB 3.18Å; S155-I166 WeakPolarHBondContact OG-CG1 3.25Å; S155-I166 PolarHBondContact OG-N 3.38Å
156	L	93.4	Very high	90.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.7	179.1	-63.5	172.1	0	0	0	110.3	L47 L131 T132 D133 I292	L47-L156 HydrophobicContact CD2-CB 3.77Å; L131-L156 PolarHBondContact O-N 3.04Å; T132-L156 CarbonylContact C-O 3.48Å; T132-L156 WeakPolarHBondContact CA-O 3.35Å; T132-L156 HydrophobicContact CG2-CB 4.42Å; T132-L156 HydrophobicContact CG2-CD1 4.42Å; D133-L156 PolarHBondContact N-O 2.9Å; L156-I292 HydrophobicContact CD1-CB 3.92Å; L156-I292 HydrophobicContact CD1-CG1 4.35Å; L156-I292 HydrophobicContact CD1-CG2 3.67Å; L156-I292 HydrophobicContact CD2-CB 3.81Å; L156-I292 HydrophobicContact CD2-CD1 3.67Å; L156-I292 HydrophobicContact CD2-CG1 3.35Å; L156-I292 HydrophobicContact CD2-CG2 3.73Å; L156-I292 HydrophobicContact CG-CB 4.4Å; L156-I292 HydrophobicContact CG-CG1 4.42Å; L156-I292 HydrophobicContact CG-CG2 4.02Å
157	S	91.9	Very high	90.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	134.6	175	-77.3	0	0	0	0	111.2	D133 A163 Y164 R247	D133-S157 WeakPolarHBondContact OD1-CA 3.38Å; S157-A163 WeakPolarHBondContact O-CA 3.31Å; S157-Y164 PolarHBondContact N-O 3.11Å; S157-Y164 PolarHBondContact O-N 2.88Å; S157-R247 PolarHBondContact OG-NH1 3.27Å
158	L	91.4	Very high	90.3	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.12	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.2	175.1	177.6	60.2	0	0	0	110.1	L47 D133 G160 Y162 A163 R247 P284 I285 I288	L47-L158 HydrophobicContact CD2-CB 4.33Å; D133-L158 PolarHBondContact OD1-N 3.1Å; L158-G160 WeakPolarHBondContact CD1-O 3.46Å; L158-Y162 WeakPolarHBondContact CD1-O 3.47Å; L158-A163 HydrophobicContact CD1-CB 4.21Å; L158-R247 PolarHBondContact O-NH2 2.99Å; L158-P284 HydrophobicContact CD1-CB 4.44Å; L158-P284 HydrophobicContact CD1-CG 4.04Å; L158-P284 HydrophobicContact CD2-CG 3.93Å; L158-I285 HydrophobicContact CD2-CD1 4.23Å; L158-I285 HydrophobicContact CD2-CG1 3.53Å; L158-I288 HydrophobicContact CB-CD1 4.49Å; L158-I288 HydrophobicContact CD1-CD1 3.54Å; L158-I288 HydrophobicContact CD2-CD1 4.23Å; L158-I288 HydrophobicContact CG-CD1 4.3Å
159	Y	89.4	Confident	90	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.027	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	94.6	172.2	-57.7	-65.9	0	0	0	109.2	T161 Y162 Y164 V237 E241 R247 W248 L277	Y159-T161 PolarHBondContact O-N 3.37Å; Y159-Y162 CarbonylContact C-O 3.58Å; Y159-Y162 PolarHBondContact N-O 3.29Å; Y159-Y162 PolarHBondContact O-N 3.41Å; Y159-Y164 HydrophobicContact CE2-CD1 4.03Å; Y159-Y164 AromaticContact CE2-CE1 3.67Å; Y159-Y164 HydrophobicContact CE2-CE1 3.67Å; Y159-V237 HydrophobicContact CD1-CG1 4.23Å; Y159-V237 HydrophobicContact CD2-CB 4.5Å; Y159-V237 HydrophobicContact CD2-CG1 3.95Å; Y159-V237 HydrophobicContact CE1-CG1 3.85Å; Y159-V237 HydrophobicContact CE2-CB 4.38Å; Y159-V237 HydrophobicContact CE2-CG1 3.5Å; Y159-V237 VanDerWaalsContact CE2-CG1 3.5Å; Y159-V237 HydrophobicContact CG-CG1 4.29Å; Y159-V237 VanDerWaalsContact CZ-CG1 3.5Å; Y159-E241 PolarHBondContact OH-OE1 2.97Å; Y159-R247 HydrophobicContact CE1-CG 4.47Å; Y159-R247 PolarHBondContact OH-NH1 3.11Å; Y159-R247 VanDerWaalsContact OH-NH1 3.1Å; Y159-W248 AromaticContact CD1-CE3 3.82Å; Y159-W248 HydrophobicContact CD1-CE3 3.82Å; Y159-W248 HydrophobicContact CD1-CZ3 4.3Å; Y159-W248 HydrophobicContact CE1-CE3 4.38Å; Y159-L277 CarbonylContact C-O 3.56Å
160	G	86.7	Confident	89.2	Confident	10 Å²	10	27.4 Å²	27.4	10%	0.103	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-107.4	-173.8	0	0	0	0	0	113	L158 R276 L277 L279	L158-G160 WeakPolarHBondContact CD1-O 3.46Å; G160-R276 WeakPolarHBondContact CA-O 3.35Å; G160-L277 PolarHBondContact N-O 2.98Å; G160-L279 WeakPolarHBondContact CA-O 3.34Å
161	T	85.2	Confident	87.5	Confident	63 Å²	63	32.4 Å²	32.4	39%	0.387	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0.1	178	64.7	0	0	0	0	114.1	Y159 R276 L279	Y159-T161 PolarHBondContact O-N 3.37Å; T161-R276 PolarHBondContact N-O 3.32Å; T161-L279 HydrophobicContact CG2-CD1 4.07Å
162	Y	86.9	Confident	85.5	Confident	20 Å²	20	39.5 Å²	39.5	8%	0.078	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.9	-178.2	-60	-70.9	0	0	0	110.6	L158 Y159 C230 A233 L273 R276 L277	L158-Y162 WeakPolarHBondContact CD1-O 3.47Å; Y159-Y162 CarbonylContact C-O 3.58Å; Y159-Y162 PolarHBondContact N-O 3.29Å; Y159-Y162 PolarHBondContact O-N 3.41Å; Y162-C230 HydrophobicContact CD1-CB 3.93Å; Y162-C230 HydrophobicContact CE1-CB 4.06Å; Y162-A233 HydrophobicContact CD2-CB 4.09Å; Y162-A233 HydrophobicContact CE2-CB 4.08Å; Y162-A233 HydrophobicContact CG-CB 4.42Å; Y162-L273 VanDerWaalsContact OH-CD2 3.24Å; Y162-L273 WeakPolarHBondContact OH-CD2 3.49Å; Y162-R276 HydrophobicContact CD2-CB 4.47Å; Y162-R276 HydrophobicContact CE2-CB 3.59Å; Y162-R276 VanDerWaalsContact OH-CD 3.3Å; Y162-R276 WeakPolarHBondContact OH-CD 3.47Å; Y162-L277 HydrophobicContact CD2-CD2 3.72Å; Y162-L277 HydrophobicContact CD2-CG 3.89Å; Y162-L277 HydrophobicContact CE2-CD2 4.48Å; Y162-L277 HydrophobicContact CE2-CG 4.18Å; Y162-L277 HydrophobicContact CG-CD2 4.5Å
163	A	88.4	Confident	83	Confident	33 Å²	33	41.1 Å²	41.1	27%	0.273	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.1	174.3	0	0	0	0	0	110.5	S157 L158 I288	S157-A163 WeakPolarHBondContact O-CA 3.31Å; L158-A163 HydrophobicContact CD1-CB 4.21Å; A163-I288 HydrophobicContact CB-CD1 3.44Å; A163-I288 VanDerWaalsContact CB-CD1 3.44Å; A163-I288 HydrophobicContact CB-CG1 3.86Å; A163-I288 HydrophobicContact CB-CG2 4.2Å
164	Y	86.8	Confident	80.2	Confident	34 Å²	34	49.6 Å²	49.6	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.6	167.8	86	-80.4	0	0	0	109.5	S157 Y159 I166 I234 L238	S157-Y164 PolarHBondContact N-O 3.11Å; S157-Y164 PolarHBondContact O-N 2.88Å; Y159-Y164 HydrophobicContact CE2-CD1 4.03Å; Y159-Y164 AromaticContact CE2-CE1 3.67Å; Y159-Y164 HydrophobicContact CE2-CE1 3.67Å; Y164-I166 HydrophobicContact CE2-CD1 4.46Å; Y164-I166 HydrophobicContact CE2-CG1 4.29Å; Y164-I234 HydrophobicContact CD1-CG2 3.82Å; Y164-I234 HydrophobicContact CD2-CG2 4.47Å; Y164-I234 HydrophobicContact CG-CG2 3.8Å; Y164-L238 HydrophobicContact CE1-CD2 3.96Å; Y164-L238 HydrophobicContact CE2-CD1 4.49Å; Y164-L238 HydrophobicContact CE2-CD2 4.18Å; Y164-L238 WeakPolarHBondContact OH-CD2 3.45Å
165	G	87.6	Confident	77.3	Confident	38 Å²	38	56.9 Å²	56.9	39%	0.392	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.5	172.7	0	0	0	0	0	111.8	S155	S155-G165 CarbonylContact O-C 3.59Å; S155-G165 WeakPolarHBondContact O-CA 3.35Å
166	I	86.4	Confident	74.7	Confident	55 Å²	55	61.2 Å²	61.2	28%	0.282	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.1	171.3	-58.5	171.7	0	0	0	105.6	F153 C154 S155 Y164	F153-I166 HydrophobicContact CE1-CB 4.47Å; F153-I166 HydrophobicContact CE1-CG2 4.37Å; C154-I166 CarbonylContact C-O 3.44Å; C154-I166 VanDerWaalsContact CA-O 3.25Å; C154-I166 WeakPolarHBondContact CA-O 3.29Å; S155-I166 PolarHBondContact N-O 3.29Å; S155-I166 PolarHBondContact O-N 3.31Å; S155-I166 WeakPolarHBondContact OG-CB 3.18Å; S155-I166 WeakPolarHBondContact OG-CG1 3.25Å; S155-I166 PolarHBondContact OG-N 3.38Å; Y164-I166 HydrophobicContact CE2-CD1 4.46Å; Y164-I166 HydrophobicContact CE2-CG1 4.29Å
167	L	89	Confident	71.7	Confident	70 Å²	70	66.8 Å²	66.8	37%	0.366	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	121.4	176.8	-57.4	-178.4	0	0	0	108	C154 F169 I292	C154-L167 HydrophobicContact CB-CD2 4.06Å; C154-L167 WeakPolarHBondContact SG-CD2 3.34Å; L167-F169 HydrophobicContact CB-CD2 4.25Å; L167-F169 HydrophobicContact CB-CE2 3.65Å; L167-F169 HydrophobicContact CB-CZ 3.99Å; L167-F169 HydrophobicContact CD1-CE2 4.01Å; L167-F169 HydrophobicContact CD1-CZ 4.35Å; L167-F169 HydrophobicContact CD2-CE2 4.31Å; L167-F169 HydrophobicContact CD2-CZ 3.9Å; L167-F169 HydrophobicContact CG-CE2 4.19Å; L167-F169 HydrophobicContact CG-CZ 4.29Å; L167-I292 HydrophobicContact CD1-CD1 4.41Å; L167-I292 HydrophobicContact CD2-CD1 4.23Å; L167-I292 HydrophobicContact CD2-CG2 4.35Å
168	D	88.7	Confident	68.9	Low	21 Å²	21	71.9 Å²	71.9	11%	0.112	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	87.4	-179	-168.2	-22	0	0	0	110.1	R147 F153 Q170	R147-D168 IonicContact CZ-OD2 3.69Å; R147-D168 IonicContact NE-OD2 2.71Å; R147-D168 PolarHBondContact NE-OD2 3.47Å; R147-D168 IonicContact NH2-OD2 3.66Å; R147-D168 PolarHBondContact NH2-OD2 2.91Å; F153-D168 HydrophobicContact CB-CB 4.25Å; F153-D168 HydrophobicContact CD1-CB 4.37Å; F153-D168 PolarHBondContact N-O 3.39Å; F153-D168 PolarHBondContact O-N 3.38Å; D168-Q170 VanDerWaalsContact C-N 3.31Å; D168-Q170 PolarHBondContact O-N 3.19Å; D168-Q170 PolarHBondContact OD1-N 3.19Å; D168-Q170 PolarHBondContact OD1-NE2 2.73Å
169	F	85.9	Confident	66.2	Low	33 Å²	33	81.8 Å²	81.8	15%	0.145	43%	0.425	C	S	.	.			trans	-95.2	21.6	-174.4	-58.4	-51.3	0	0	0	113.4	I128 H152 L167 I296 V299	I128-F169 HydrophobicContact CD1-CE1 3.88Å; H152-F169 HydrophobicContact CB-CD1 4.09Å; H152-F169 AromaticContact CD2-CD1 3.9Å; H152-F169 PolarHBondContact CD2-O 3.09Å; H152-F169 PolarHBondContact NE2-O 3.19Å; L167-F169 HydrophobicContact CB-CD2 4.25Å; L167-F169 HydrophobicContact CB-CE2 3.65Å; L167-F169 HydrophobicContact CB-CZ 3.99Å; L167-F169 HydrophobicContact CD1-CE2 4.01Å; L167-F169 HydrophobicContact CD1-CZ 4.35Å; L167-F169 HydrophobicContact CD2-CE2 4.31Å; L167-F169 HydrophobicContact CD2-CZ 3.9Å; L167-F169 HydrophobicContact CG-CE2 4.19Å; L167-F169 HydrophobicContact CG-CZ 4.29Å; F169-I296 HydrophobicContact CE1-CG1 4.48Å; F169-I296 HydrophobicContact CZ-CG1 4.37Å; F169-V299 HydrophobicContact CB-CG1 3.91Å; F169-V299 HydrophobicContact CD1-CB 4.41Å; F169-V299 HydrophobicContact CD1-CG1 3.76Å; F169-V299 HydrophobicContact CD1-CG2 4.32Å; F169-V299 HydrophobicContact CD2-CB 4.38Å; F169-V299 HydrophobicContact CD2-CG1 4.17Å; F169-V299 HydrophobicContact CD2-CG2 3.47Å; F169-V299 VanDerWaalsContact CD2-CG2 3.47Å; F169-V299 HydrophobicContact CE1-CB 4.47Å; F169-V299 HydrophobicContact CE1-CG1 4.25Å; F169-V299 HydrophobicContact CE1-CG2 4.33Å; F169-V299 HydrophobicContact CE2-CB 4.44Å; F169-V299 HydrophobicContact CE2-CG2 3.48Å; F169-V299 VanDerWaalsContact CE2-CG2 3.48Å; F169-V299 HydrophobicContact CG-CB 4.35Å; F169-V299 HydrophobicContact CG-CG1 3.69Å; F169-V299 HydrophobicContact CG-CG2 3.9Å; F169-V299 HydrophobicContact CZ-CB 4.47Å; F169-V299 HydrophobicContact CZ-CG2 3.91Å
170	Q	77.4	Confident	63.5	Low	42 Å²	42	90 Å²	90	20%	0.196	46%	0.463	C	S	.	.			trans	65.4	150.5	-175.9	-46.7	-56.2	-63.3	0	0	113.4	I151 D168 E172	I151-Q170 PolarHBondContact O-NE2 3.28Å; D168-Q170 VanDerWaalsContact C-N 3.31Å; D168-Q170 PolarHBondContact O-N 3.19Å; D168-Q170 PolarHBondContact OD1-N 3.19Å; D168-Q170 PolarHBondContact OD1-NE2 2.73Å; Q170-E172 VanDerWaalsContact C-N 3.31Å; Q170-E172 PolarHBondContact O-N 2.75Å
171	K	56.5	Low	61.1	Low	211 Å²	211	95.2 Å²	95.2	92%	0.917	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-5	-170.1	-86.7	-173.6	173	-172.5	0	115.8	C173	K171-C173 VanDerWaalsContact C-N 3.26Å; K171-C173 PolarHBondContact O-N 2.9Å
172	E	50.5	Low	58.7	Low	154 Å²	154	96.4 Å²	96.4	72%	0.72	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	16.7	-171.1	-71.4	176.3	-177.3	0	0	114.5	K150 Q170 E174	K150-E172 IonicContact NZ-OE1 2.64Å; Q170-E172 VanDerWaalsContact C-N 3.31Å; Q170-E172 PolarHBondContact O-N 2.75Å; E172-E174 PolarHBondContact O-N 3.44Å
173	C	40.3	Very low	56.3	Low	47 Å²	47	104.5 Å²	104.5	32%	0.318	54%	0.54	S	S	.	.			trans	-80.2	51.5	177.3	-63.8	0	0	0	0	113.6	K171 N175 I176 V303	K171-C173 VanDerWaalsContact C-N 3.26Å; K171-C173 PolarHBondContact O-N 2.9Å; C173-N175 PolarHBondContact O-N 2.85Å; C173-I176 HydrophobicContact CB-CD1 4Å; C173-I176 HydrophobicContact CB-CG1 4.27Å; C173-V303 WeakPolarHBondContact SG-CG1 3.28Å; C173-V303 WeakPolarHBondContact SG-CG2 3.36Å
174	E	33.8	Very low	54	Low	178 Å²	178	108.4 Å²	108.4	83%	0.832	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	2.4	-178.2	-75.5	-170.5	162	0	0	114.6	E172	E172-E174 PolarHBondContact O-N 3.44Å
175	N	32.5	Very low	51.5	Low	152 Å²	152	111.9 Å²	111.9	81%	0.813	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	18.4	-175.3	-75	-40.3	0	0	0	116	C173 T177	C173-N175 PolarHBondContact O-N 2.85Å; N175-T177 PolarHBondContact O-N 3.03Å
176	I	39.3	Very low	49.1	Very low	91 Å²	91	117.8 Å²	117.8	47%	0.467	61%	0.609	S	S	.	*			trans	-79.7	76.3	171.1	-45.6	-177.3	0	0	0	108.7	C173 S178 V302 V303	C173-I176 HydrophobicContact CB-CD1 4Å; C173-I176 HydrophobicContact CB-CG1 4.27Å; I176-S178 PolarHBondContact O-N 2.93Å; I176-V302 HydrophobicContact CB-CG1 4.39Å; I176-V302 HydrophobicContact CD1-CG1 4.03Å; I176-V302 HydrophobicContact CG1-CG1 3.74Å; I176-V302 HydrophobicContact CG2-CG1 4.08Å; I176-V303 HydrophobicContact CD1-CG2 3.76Å
177	T	31.2	Very low	46.7	Very low	119 Å²	119	120.2 Å²	120.2	73%	0.73	63%	0.629	S	S	*	*			trans	-60.1	124.2	153.4	35.2	0	0	0	0	106.1	N175 R179	N175-T177 PolarHBondContact O-N 3.03Å; T177-R179 VanDerWaalsContact C-N 3.32Å; T177-R179 PolarHBondContact O-N 2.78Å
178	S	33.7	Very low	44.4	Very low	108 Å²	108	123.6 Å²	123.6	76%	0.755	65%	0.647	S	S	*	*			trans	-47.8	98.4	172.2	52.9	0	0	0	0	108.6	I176 E180	I176-S178 PolarHBondContact O-N 2.93Å; S178-E180 PolarHBondContact O-N 2.88Å; S178-E180 VanDerWaalsContact O-N 3.1Å
179	R	34.1	Very low	41.9	Very low	232 Å²	232	127.4 Å²	127.4	88%	0.875	68%	0.682	S	S	*	*			trans	-69	109.2	162.1	-87.4	-174.9	166	-179.4	-4.9	104.5	T177 V181	T177-R179 VanDerWaalsContact C-N 3.32Å; T177-R179 PolarHBondContact O-N 2.78Å; R179-V181 PolarHBondContact O-N 2.77Å; R179-V181 VanDerWaalsContact O-N 3.16Å
180	E	31.8	Very low	39.6	Very low	179 Å²	179	133.7 Å²	133.7	84%	0.836	71%	0.711	S	S	*	*			trans	-47.3	124.7	160.7	-73.1	178.8	160.9	0	0	106.6	S178 P182	S178-E180 PolarHBondContact O-N 2.88Å; S178-E180 VanDerWaalsContact O-N 3.1Å; E180-P182 WeakPolarHBondContact O-CD 3.45Å; E180-P182 VanDerWaalsContact O-N 3.11Å
181	V	37.2	Very low	37.7	Very low	120 Å²	120	138.3 Å²	138.3	73%	0.727	74%	0.737	S	S	*	*			trans	-52	122.6	168.6	177.4	0	0	0	0	105.1	R179 E183	R179-V181 PolarHBondContact O-N 2.77Å; R179-V181 VanDerWaalsContact O-N 3.16Å; V181-E183 PolarHBondContact O-N 2.86Å
182	P	34.3	Very low	36.8	Very low	88 Å²	88	133.1 Å²	133.1	57%	0.571	72%	0.723	S	S	*	*			trans	-59.9	109.7	176.9	22.2	-29.5	0	0	0	106.9	E180 V184	E180-P182 WeakPolarHBondContact O-CD 3.45Å; E180-P182 VanDerWaalsContact O-N 3.11Å; P182-V184 HydrophobicContact CB-CG2 4.16Å; P182-V184 PolarHBondContact O-N 2.81Å
183	E	36.3	Very low	36.2	Very low	189 Å²	189	133 Å²	133	88%	0.883	73%	0.727	S	S	*	*			trans	-66.2	73.5	168.1	-75.6	-174.4	166.2	0	0	107.1	V181 P185	V181-E183 PolarHBondContact O-N 2.86Å; E183-P185 WeakPolarHBondContact O-CD 3.46Å
184	V	39.9	Very low	36.1	Very low	116 Å²	116	133.9 Å²	133.9	70%	0.703	75%	0.745	S	S	*	*			trans	-80.6	115.5	165.1	-174.1	0	0	0	0	105.4	P182 L186	P182-V184 HydrophobicContact CB-CG2 4.16Å; P182-V184 PolarHBondContact O-N 2.81Å; V184-L186 PolarHBondContact O-N 2.97Å
185	P	34.3	Very low	36.1	Very low	107 Å²	107	133 Å²	133	70%	0.695	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.9	135	174.2	-18.5	30.8	0	0	0	108.9	E183 P187	E183-P185 WeakPolarHBondContact O-CD 3.46Å; P185-P187 WeakPolarHBondContact O-CD 3.49Å
186	L	37.1	Very low	36.2	Very low	162 Å²	162	132 Å²	132	85%	0.848	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-55.6	122.4	167.5	-77.4	162.2	0	0	0	107.7	V184 D188	V184-L186 PolarHBondContact O-N 2.97Å; L186-D188 PolarHBondContact O-N 3.27Å
187	P	36	Very low	35.8	Very low	106 Å²	106	135.2 Å²	135.2	69%	0.688	76%	0.757	S	S	*	*	S	Bend	trans	-67.4	127.5	170.8	-2.1	16.7	0	0	0	107.5	P185	P185-P187 WeakPolarHBondContact O-CD 3.49Å
188	D	40.6	Very low	35.9	Very low	140 Å²	140	138 Å²	138	75%	0.749	76%	0.762	S	S	*	*			trans	63	71.5	164.6	-45.7	-34.6	0	0	0	115.3	L186 E190	L186-D188 PolarHBondContact O-N 3.27Å; D188-E190 PolarHBondContact O-N 3.21Å
189	A	37.3	Very low	35.9	Very low	102 Å²	102	140.3 Å²	140.3	84%	0.843	77%	0.765	S	S	*	*			trans	-68.5	92.3	150.2	0	0	0	0	0	107.4	D191	A189-D191 PolarHBondContact O-N 2.94Å
190	E	36.7	Very low	35.7	Very low	164 Å²	164	132.5 Å²	132.5	77%	0.766	76%	0.757	S	S	*	*			trans	-62.2	131.2	175.7	-75	-172.9	157.8	0	0	110.5	D188 V192	D188-E190 PolarHBondContact O-N 3.21Å; E190-V192 VanDerWaalsContact C-N 3.32Å; E190-V192 PolarHBondContact O-N 3.45Å
191	D	37.4	Very low	35.6	Very low	139 Å²	139	134.1 Å²	134.1	74%	0.743	76%	0.761	S	S	*	*			trans	-70.4	84.4	176.4	-155.8	-6.5	0	0	0	108.9	A189 N193	A189-D191 PolarHBondContact O-N 2.94Å; D191-N193 PolarHBondContact O-N 2.84Å
192	V	38.6	Very low	35.3	Very low	103 Å²	103	135.8 Å²	135.8	62%	0.624	76%	0.763	S	S	*	*			trans	-84.7	101.2	175.7	-173	0	0	0	0	108.4	E190 G194	E190-V192 VanDerWaalsContact C-N 3.32Å; E190-V192 PolarHBondContact O-N 3.45Å; V192-G194 PolarHBondContact O-N 3.48Å
193	N	38.5	Very low	35.4	Very low	151 Å²	151	134.8 Å²	134.8	81%	0.807	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	67	27.8	168.9	-60.5	-30.4	0	0	0	117.5	D191 E195	D191-N193 PolarHBondContact O-N 2.84Å; N193-E195 PolarHBondContact O-N 3.3Å
194	G	38.3	Very low	35.6	Very low	66 Å²	66	133.9 Å²	133.9	68%	0.68	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.5	11.5	167.9	0	0	0	0	0	115.4	V192	V192-G194 PolarHBondContact O-N 3.48Å
195	E	33.1	Very low	35.9	Very low	158 Å²	158	133.1 Å²	133.1	74%	0.738	76%	0.756	S	S	*	*			trans	-108.8	108.8	169.7	-72.3	-167.9	159	0	0	109	N193 L197	N193-E195 PolarHBondContact O-N 3.3Å; E195-L197 PolarHBondContact O-N 3.45Å
196	V	34.7	Very low	36.8	Very low	132 Å²	132	132.9 Å²	132.9	80%	0.8	74%	0.744	S	S	*	*			trans	-62.2	106.5	165.1	178.2	0	0	0	0	106.9	Q198	V196-Q198 VanDerWaalsContact C-N 3.3Å; V196-Q198 PolarHBondContact O-N 3.41Å
197	L	31.4	Very low	37.7	Very low	159 Å²	159	129.6 Å²	129.6	83%	0.832	73%	0.73	S	S	*	*			trans	-59	96.8	167.4	-72.1	171.3	0	0	0	107.7	E195 N199	E195-L197 PolarHBondContact O-N 3.45Å; L197-N199 PolarHBondContact O-N 3.47Å; L197-N199 VanDerWaalsContact O-N 3.09Å
198	Q	32.6	Very low	38.7	Very low	177 Å²	177	127.6 Å²	127.6	83%	0.827	72%	0.716	S	S	*	*			trans	-63.2	113.9	165	-77.9	-171.6	2.6	0	0	106.6	V196 G200	V196-Q198 VanDerWaalsContact C-N 3.3Å; V196-Q198 PolarHBondContact O-N 3.41Å; Q198-G200 PolarHBondContact O-N 2.86Å
199	N	33.6	Very low	39.3	Very low	156 Å²	156	126.8 Å²	126.8	83%	0.834	72%	0.716	S	S	*	*			trans	-45.9	116.3	163.4	-81.4	-20.8	0	0	0	107.4	L197 K201	L197-N199 PolarHBondContact O-N 3.47Å; L197-N199 VanDerWaalsContact O-N 3.09Å; N199-K201 PolarHBondContact O-N 3.14Å
200	G	30.6	Very low	40	Very low	68 Å²	68	125 Å²	125	70%	0.701	70%	0.698	S	S	*	*			trans	-49.3	130	173.1	0	0	0	0	0	107.8	Q198 M202	Q198-G200 PolarHBondContact O-N 2.86Å; G200-M202 VanDerWaalsContact C-N 3.25Å; G200-M202 PolarHBondContact O-N 3.22Å
201	K	29.4	Very low	40.4	Very low	213 Å²	213	127.1 Å²	127.1	93%	0.926	71%	0.708	S	S	*	*			trans	-55.9	93.1	178.7	-92.8	-176.3	173.3	179.2	0	108.9	N199 G203	N199-K201 PolarHBondContact O-N 3.14Å; K201-G203 PolarHBondContact O-N 3.37Å
202	M	31.4	Very low	40.8	Very low	155 Å²	155	124 Å²	124	76%	0.764	70%	0.697	S	S	*	*			trans	-61	119.6	165	-155.6	162.7	47.2	0	0	104.6	G200 E204	G200-M202 VanDerWaalsContact C-N 3.25Å; G200-M202 PolarHBondContact O-N 3.22Å; M202-E204 PolarHBondContact O-N 3.06Å
203	G	34.8	Very low	41.3	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	71%	0.706	S	S	*	*			trans	-49.1	134	-171.7	0	0	0	0	0	110.7	K201 L205	K201-G203 PolarHBondContact O-N 3.37Å; G203-L205 PolarHBondContact O-N 3.4Å
204	E	42.3	Very low	41.6	Very low	171 Å²	171	119.6 Å²	119.6	80%	0.799	68%	0.682	S	S	*	*			trans	-52.7	104.5	-178.2	-76.3	-178.5	177.4	0	0	110.2	M202 K206	M202-E204 PolarHBondContact O-N 3.06Å; E204-K206 PolarHBondContact O-N 3.15Å
205	L	45	Very low	42.1	Very low	100 Å²	100	119 Å²	119	52%	0.524	67%	0.668	S	S	.	*			trans	-76.3	117.9	170	-174	75.6	0	0	0	108	G203 V207 I287 I291	G203-L205 PolarHBondContact O-N 3.4Å; L205-V207 HydrophobicContact CD2-CG2 3.77Å; L205-V207 HydrophobicContact CG-CG2 4.08Å; L205-V207 PolarHBondContact O-N 2.87Å; L205-I287 HydrophobicContact CD2-CG2 4.26Å; L205-I291 HydrophobicContact CD2-CD1 2.93Å; L205-I291 HydrophobicContact CD2-CG1 4.41Å; L205-I291 HydrophobicContact CG-CD1 4.42Å
206	K	54.1	Low	42.9	Very low	102 Å²	102	118.2 Å²	118.2	44%	0.443	66%	0.664	S	S	.	*			trans	-92.9	98.7	174.4	-71.2	175.3	-177.6	163.3	0	108.9	E204 L227	E204-K206 PolarHBondContact O-N 3.15Å; K206-L227 HydrophobicContact CB-CD2 3.77Å; K206-L227 HydrophobicContact CD-CD2 4.43Å
207	V	56.1	Low	43.8	Very low	92 Å²	92	115.3 Å²	115.3	56%	0.558	65%	0.654	S	S	*	*			trans	-85.5	128.9	170.5	-175.2	0	0	0	0	108.1	L205 T209	L205-V207 HydrophobicContact CD2-CG2 3.77Å; L205-V207 HydrophobicContact CG-CG2 4.08Å; L205-V207 PolarHBondContact O-N 2.87Å; V207-T209 HydrophobicContact CG1-CG2 4.34Å
208	V	55.4	Low	44.9	Very low	64 Å²	64	111.6 Å²	111.6	39%	0.388	63%	0.632	S	S	.	*			trans	-120.9	122.3	168	171.9	0	0	0	0	108.4	L224 L227	V208-L224 HydrophobicContact CB-CD2 4.18Å; V208-L224 HydrophobicContact CG1-CD2 3.6Å; V208-L224 HydrophobicContact CG2-CD2 4.28Å; V208-L227 HydrophobicContact CB-CD1 3.64Å; V208-L227 HydrophobicContact CG2-CD1 3.26Å; V208-L227 HydrophobicContact CG2-CG 4.22Å
209	T	53.7	Low	45.9	Very low	123 Å²	123	106.9 Å²	106.9	76%	0.755	61%	0.609	S	S	*	*			trans	-97.8	142.5	175	50.4	0	0	0	0	109.2	V207	V207-T209 HydrophobicContact CG1-CG2 4.34Å
210	S	51.3	Low	46.9	Very low	66 Å²	66	108.3 Å²	108.3	46%	0.462	60%	0.603	S	S	.	*			trans	-137.1	124.2	174	-174.9	0	0	0	0	107.9	S212	S210-S212 WeakPolarHBondContact CB-O 3.35Å; S210-S212 PolarHBondContact O-N 3.38Å; S210-S212 PolarHBondContact OG-O 2.92Å
211	E	46.7	Very low	48.4	Very low	207 Å²	207	107.2 Å²	107.2	97%	0.967	59%	0.585	S	S	*	*	S	Bend	trans	-74	-17.8	-178.5	-64.5	-176.9	170.4	0	0	112.7
212	S	45.5	Very low	49.9	Very low	75 Å²	75	103.4 Å²	103.4	52%	0.524	57%	0.57	S	S	.	*	S	Bend	trans	-123.8	155.3	174.7	-69.4	0	0	0	0	110.2	S210 A214	S210-S212 WeakPolarHBondContact CB-O 3.35Å; S210-S212 PolarHBondContact O-N 3.38Å; S210-S212 PolarHBondContact OG-O 2.92Å; S212-A214 PolarHBondContact O-N 3.48Å
213	P	48	Very low	51.4	Low	125 Å²	125	102.9 Å²	102.9	81%	0.812	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-52.2	118	167.2	-20	30.7	0	0	0	108.1	S215	P213-S215 PolarHBondContact O-N 3.48Å; P213-S215 VanDerWaalsContact O-N 3.1Å
214	A	46.2	Very low	52.8	Low	36 Å²	36	100.4 Å²	100.4	30%	0.298	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-54.4	121.8	-172	0	0	0	0	0	110.1	S212 E218 F219	S212-A214 PolarHBondContact O-N 3.48Å; A214-E218 WeakPolarHBondContact CA-OE2 3.37Å; A214-E218 HydrophobicContact CB-CB 4.42Å; A214-F219 HydrophobicContact CB-CD2 4.11Å; A214-F219 HydrophobicContact CB-CE2 3.66Å; A214-F219 HydrophobicContact CB-CZ 4.03Å; A214-F219 WeakPolarHBondContact O-CE2 3.27Å
215	S	47.5	Very low	53.8	Low	54 Å²	54	100.3 Å²	100.3	38%	0.378	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-66	152.9	170.4	64.3	0	0	0	0	109.7	P213 A217 E218 F219	P213-S215 PolarHBondContact O-N 3.48Å; P213-S215 VanDerWaalsContact O-N 3.1Å; S215-A217 PolarHBondContact O-N 3.18Å; S215-E218 PolarHBondContact N-OE2 3.02Å; S215-E218 WeakPolarHBondContact O-CB 3.43Å; S215-E218 PolarHBondContact O-N 3.4Å; S215-E218 WeakPolarHBondContact OG-CG 3.33Å; S215-E218 PolarHBondContact OG-N 3.06Å; S215-E218 PolarHBondContact OG-OE2 2.58Å; S215-F219 VanDerWaalsContact O-CD2 3.28Å; S215-F219 WeakPolarHBondContact O-CD2 3.33Å; S215-F219 PolarHBondContact O-N 3.21Å
216	E	49.7	Very low	54.8	Low	140 Å²	140	104 Å²	104	65%	0.654	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.6	177.8	-159.3	167.9	-178.4	0	0	113
217	A	53.4	Low	55.7	Low	72 Å²	72	100.3 Å²	100.3	60%	0.595	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-40.2	172.5	0	0	0	0	0	112.8	S215 F219 R220	S215-A217 PolarHBondContact O-N 3.18Å; A217-F219 VanDerWaalsContact C-N 3.28Å; A217-F219 PolarHBondContact O-N 3.31Å; A217-R220 WeakPolarHBondContact O-CB 3.44Å; A217-R220 PolarHBondContact O-N 2.68Å
218	E	55.7	Low	56.6	Low	81 Å²	81	100.8 Å²	100.8	38%	0.379	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-62.5	-37.1	176.7	-78.4	164.8	143.9	0	0	111.3	A214 S215 R220 S221 L224	A214-E218 WeakPolarHBondContact CA-OE2 3.37Å; A214-E218 HydrophobicContact CB-CB 4.42Å; S215-E218 PolarHBondContact N-OE2 3.02Å; S215-E218 WeakPolarHBondContact O-CB 3.43Å; S215-E218 PolarHBondContact O-N 3.4Å; S215-E218 WeakPolarHBondContact OG-CG 3.33Å; S215-E218 PolarHBondContact OG-N 3.06Å; S215-E218 PolarHBondContact OG-OE2 2.58Å; E218-R220 PolarHBondContact O-N 3.2Å; E218-S221 WeakPolarHBondContact O-CB 3.23Å; E218-S221 PolarHBondContact O-N 2.84Å; E218-S221 PolarHBondContact O-OG 3.38Å; E218-L224 WeakPolarHBondContact O-CD1 3.24Å
219	F	53.5	Low	57.7	Low	78 Å²	78	101.6 Å²	101.6	34%	0.342	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-54.6	-20.4	172.3	-78.7	-81.7	0	0	0	113.6	A214 S215 A217 L224 L231	A214-F219 HydrophobicContact CB-CD2 4.11Å; A214-F219 HydrophobicContact CB-CE2 3.66Å; A214-F219 HydrophobicContact CB-CZ 4.03Å; A214-F219 WeakPolarHBondContact O-CE2 3.27Å; S215-F219 VanDerWaalsContact O-CD2 3.28Å; S215-F219 WeakPolarHBondContact O-CD2 3.33Å; S215-F219 PolarHBondContact O-N 3.21Å; A217-F219 VanDerWaalsContact C-N 3.28Å; A217-F219 PolarHBondContact O-N 3.31Å; F219-L224 HydrophobicContact CD1-CD1 4.46Å; F219-L231 HydrophobicContact CD1-CB 4.4Å; F219-L231 HydrophobicContact CD1-CD1 3.95Å; F219-L231 HydrophobicContact CD1-CD2 4.44Å; F219-L231 HydrophobicContact CD1-CG 4.48Å; F219-L231 HydrophobicContact CE1-CB 4.26Å; F219-L231 HydrophobicContact CE1-CD1 4.31Å; F219-L231 HydrophobicContact CE1-CD2 3.96Å; F219-L231 HydrophobicContact CE1-CG 4.39Å
220	R	53.7	Low	59	Low	185 Å²	185	97.1 Å²	97.1	70%	0.698	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-90.4	-5.8	176.9	-57.6	-176.1	-177	-168.8	0.6	114.1	A217 E218	A217-R220 WeakPolarHBondContact O-CB 3.44Å; A217-R220 PolarHBondContact O-N 2.68Å; E218-R220 PolarHBondContact O-N 3.2Å
221	S	62.1	Low	60.2	Low	46 Å²	46	95.8 Å²	95.8	32%	0.322	48%	0.478	S	S	.	.	S	Bend	trans	-60	150.3	179.7	69.4	0	0	0	0	112.4	E218 Q223 L224 R225	E218-S221 WeakPolarHBondContact O-CB 3.23Å; E218-S221 PolarHBondContact O-N 2.84Å; E218-S221 PolarHBondContact O-OG 3.38Å; S221-Q223 PolarHBondContact O-N 3Å; S221-L224 PolarHBondContact O-N 2.7Å; S221-L224 VanDerWaalsContact O-N 3.14Å; S221-L224 WeakPolarHBondContact OG-CB 3.39Å; S221-L224 WeakPolarHBondContact OG-CG 3.28Å; S221-L224 PolarHBondContact OG-N 3.47Å; S221-R225 WeakPolarHBondContact O-CG 3.49Å; S221-R225 PolarHBondContact O-N 3.25Å
222	H	62.2	Low	61.8	Low	132 Å²	132	87 Å²	87	61%	0.611	44%	0.438	S	S	*	.	H	α-helix	trans	-60	-33.7	-178.3	-176	-88.5	0	0	0	112.7	R225	H222-R225 PolarHBondContact O-N 2.98Å
223	Q	61.7	Low	63.6	Low	144 Å²	144	83.5 Å²	83.5	67%	0.673	41%	0.413	S	S	*	.	H	α-helix	trans	-64.8	-47.3	175.5	-68.6	-176.9	-15	0	0	111.2	S221 R225 R226	S221-Q223 PolarHBondContact O-N 3Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 PolarHBondContact O-N 2.93Å; Q223-R226 PolarHBondContact O-N 3.1Å
224	L	64.2	Low	65.3	Low	16 Å²	16	78.3 Å²	78.3	8%	0.084	38%	0.378	C	S	.	.	H	α-helix	trans	-72.1	-21.4	178.9	-68.2	-170.2	0	0	0	113.4	V208 E218 F219 S221 R226 L227 K228 L231	V208-L224 HydrophobicContact CB-CD2 4.18Å; V208-L224 HydrophobicContact CG1-CD2 3.6Å; V208-L224 HydrophobicContact CG2-CD2 4.28Å; E218-L224 WeakPolarHBondContact O-CD1 3.24Å; F219-L224 HydrophobicContact CD1-CD1 4.46Å; S221-L224 PolarHBondContact O-N 2.7Å; S221-L224 VanDerWaalsContact O-N 3.14Å; S221-L224 WeakPolarHBondContact OG-CB 3.39Å; S221-L224 WeakPolarHBondContact OG-CG 3.28Å; S221-L224 PolarHBondContact OG-N 3.47Å; L224-R226 PolarHBondContact O-N 3.02Å; L224-L227 HydrophobicContact CD2-CD1 4.19Å; L224-L227 CarbonylContact O-C 3.3Å; L224-L227 VanDerWaalsContact O-C 3.3Å; L224-L227 WeakPolarHBondContact O-CA 3.43Å; L224-L227 PolarHBondContact O-N 3.42Å; L224-K228 PolarHBondContact O-N 2.84Å; L224-L231 HydrophobicContact CB-CD1 3.72Å; L224-L231 HydrophobicContact CD1-CD1 4.19Å; L224-L231 HydrophobicContact CD2-CD1 3.85Å; L224-L231 HydrophobicContact CD2-CD2 4.48Å; L224-L231 HydrophobicContact CG-CD1 4.12Å
225	R	63.5	Low	67.1	Low	169 Å²	169	79.1 Å²	79.1	64%	0.638	38%	0.381	S	S	*	.	H	α-helix	trans	-57.4	-35.6	170.1	-73.2	-179	-169.1	-172.4	0.4	112.6	S221 H222 Q223 L227 K228	S221-R225 WeakPolarHBondContact O-CG 3.49Å; S221-R225 PolarHBondContact O-N 3.25Å; H222-R225 PolarHBondContact O-N 2.98Å; Q223-R225 VanDerWaalsContact C-N 3.32Å; Q223-R225 PolarHBondContact O-N 2.93Å; R225-L227 PolarHBondContact O-N 2.94Å; R225-K228 VanDerWaalsContact O-CB 3.27Å; R225-K228 WeakPolarHBondContact O-CB 3.25Å; R225-K228 PolarHBondContact O-N 3.02Å
226	R	66.5	Low	68.8	Low	178 Å²	178	77.5 Å²	77.5	67%	0.672	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.6	175.6	-69.9	-178.7	167	-171.5	-3	112.7	Q223 L224	Q223-R226 PolarHBondContact O-N 3.1Å; L224-R226 PolarHBondContact O-N 3.02Å
227	L	73.9	Confident	70.6	Confident	24 Å²	24	70.9 Å²	70.9	13%	0.126	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	5.8	176.1	-67.6	-171.6	0	0	0	113.3	K206 V208 L224 R225 N229 C230 L231	K206-L227 HydrophobicContact CB-CD2 3.77Å; K206-L227 HydrophobicContact CD-CD2 4.43Å; V208-L227 HydrophobicContact CB-CD1 3.64Å; V208-L227 HydrophobicContact CG2-CD1 3.26Å; V208-L227 HydrophobicContact CG2-CG 4.22Å; L224-L227 HydrophobicContact CD2-CD1 4.19Å; L224-L227 CarbonylContact O-C 3.3Å; L224-L227 VanDerWaalsContact O-C 3.3Å; L224-L227 WeakPolarHBondContact O-CA 3.43Å; L224-L227 PolarHBondContact O-N 3.42Å; R225-L227 PolarHBondContact O-N 2.94Å; L227-N229 PolarHBondContact O-N 3Å; L227-C230 WeakPolarHBondContact O-CA 3.43Å; L227-C230 WeakPolarHBondContact O-CB 3.47Å; L227-C230 PolarHBondContact O-N 3.44Å; L227-L231 HydrophobicContact CB-CD1 4.02Å; L227-L231 HydrophobicContact CB-CG 4.06Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 2.73Å
228	K	74.9	Confident	72	Confident	101 Å²	101	68.9 Å²	68.9	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-47	-45.5	-173.2	179.1	179.9	174.3	-174.4	0	113.1	L224 R225 L232 L267	L224-K228 PolarHBondContact O-N 2.84Å; R225-K228 VanDerWaalsContact O-CB 3.27Å; R225-K228 WeakPolarHBondContact O-CB 3.25Å; R225-K228 PolarHBondContact O-N 3.02Å; K228-L232 WeakPolarHBondContact O-CB 3.44Å; K228-L232 PolarHBondContact O-N 3.1Å; K228-L267 VanDerWaalsContact NZ-CD2 3.31Å
229	N	78.4	Confident	73.3	Confident	82 Å²	82	67.9 Å²	67.9	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-41	179.5	-77.4	3.8	0	0	0	113	L227 A233 L273	L227-N229 PolarHBondContact O-N 3Å; N229-A233 VanDerWaalsContact O-CB 3.24Å; N229-A233 WeakPolarHBondContact O-CB 3.45Å; N229-A233 PolarHBondContact O-N 3.44Å; N229-L273 HydrophobicContact CB-CD1 4.36Å; N229-L273 HydrophobicContact CB-CD2 3.56Å
230	C	79.9	Confident	74.9	Confident	29 Å²	29	65 Å²	65	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-49.4	176.7	-174.2	0	0	0	0	110.5	Y162 L227 L232 A233 I234	Y162-C230 HydrophobicContact CD1-CB 3.93Å; Y162-C230 HydrophobicContact CE1-CB 4.06Å; L227-C230 WeakPolarHBondContact O-CA 3.43Å; L227-C230 WeakPolarHBondContact O-CB 3.47Å; L227-C230 PolarHBondContact O-N 3.44Å; C230-L232 PolarHBondContact O-N 2.88Å; C230-A233 PolarHBondContact O-N 3.37Å; C230-I234 WeakPolarHBondContact O-CB 3.19Å; C230-I234 WeakPolarHBondContact O-CD1 3.43Å; C230-I234 WeakPolarHBondContact O-CG1 3.33Å; C230-I234 PolarHBondContact O-N 3.47Å; C230-I234 WeakPolarHBondContact SG-CD1 3.45Å
231	L	77.7	Confident	76.6	Confident	37 Å²	37	56.2 Å²	56.2	19%	0.194	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-47	178.3	-63.5	167.1	0	0	0	111.1	F219 L224 L227 A233 I234 C235	F219-L231 HydrophobicContact CD1-CB 4.4Å; F219-L231 HydrophobicContact CD1-CD1 3.95Å; F219-L231 HydrophobicContact CD1-CD2 4.44Å; F219-L231 HydrophobicContact CD1-CG 4.48Å; F219-L231 HydrophobicContact CE1-CB 4.26Å; F219-L231 HydrophobicContact CE1-CD1 4.31Å; F219-L231 HydrophobicContact CE1-CD2 3.96Å; F219-L231 HydrophobicContact CE1-CG 4.39Å; L224-L231 HydrophobicContact CB-CD1 3.72Å; L224-L231 HydrophobicContact CD1-CD1 4.19Å; L224-L231 HydrophobicContact CD2-CD1 3.85Å; L224-L231 HydrophobicContact CD2-CD2 4.48Å; L224-L231 HydrophobicContact CG-CD1 4.12Å; L227-L231 HydrophobicContact CB-CD1 4.02Å; L227-L231 HydrophobicContact CB-CG 4.06Å; L227-L231 WeakPolarHBondContact O-CG 3.41Å; L227-L231 PolarHBondContact O-N 2.73Å; L231-A233 PolarHBondContact O-N 2.68Å; L231-I234 PolarHBondContact O-N 3.2Å; L231-C235 WeakPolarHBondContact O-CB 3.33Å; L231-C235 PolarHBondContact O-N 3.4Å; L231-C235 PolarHBondContact O-SG 2.64Å
232	L	78.9	Confident	77.5	Confident	24 Å²	24	61.9 Å²	61.9	13%	0.126	30%	0.297	C	S	.	.	H	α-helix	trans	-58.9	-48	177.6	-177.2	64.9	0	0	0	111	K228 C230 S236 L267 L269 L273	K228-L232 WeakPolarHBondContact O-CB 3.44Å; K228-L232 PolarHBondContact O-N 3.1Å; C230-L232 PolarHBondContact O-N 2.88Å; L232-S236 WeakPolarHBondContact O-CB 3.46Å; L232-S236 PolarHBondContact O-N 2.79Å; L232-S236 PolarHBondContact O-OG 3.44Å; L232-L267 HydrophobicContact CD1-CB 3.96Å; L232-L267 HydrophobicContact CD2-CB 4.03Å; L232-L269 HydrophobicContact CD1-CD1 4.26Å; L232-L269 HydrophobicContact CD2-CD1 4.16Å; L232-L269 HydrophobicContact CG-CD1 3.69Å; L232-L269 HydrophobicContact CG-CG 4.46Å; L232-L273 HydrophobicContact CD2-CD1 4.01Å
233	A	83.8	Confident	78.5	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-50.4	178.2	0	0	0	0	0	112.2	Y162 N229 C230 L231 S236 V237 L277	Y162-A233 HydrophobicContact CD2-CB 4.09Å; Y162-A233 HydrophobicContact CE2-CB 4.08Å; Y162-A233 HydrophobicContact CG-CB 4.42Å; N229-A233 VanDerWaalsContact O-CB 3.24Å; N229-A233 WeakPolarHBondContact O-CB 3.45Å; N229-A233 PolarHBondContact O-N 3.44Å; C230-A233 PolarHBondContact O-N 3.37Å; L231-A233 PolarHBondContact O-N 2.68Å; A233-S236 PolarHBondContact O-N 2.96Å; A233-V237 WeakPolarHBondContact O-CG2 3.35Å; A233-V237 PolarHBondContact O-N 3.23Å; A233-V237 VanDerWaalsContact O-N 3.08Å; A233-L277 HydrophobicContact CB-CD1 3.86Å; A233-L277 HydrophobicContact CB-CD2 4.07Å; A233-L277 HydrophobicContact CB-CG 4.02Å
234	I	84.8	Confident	79.8	Confident	17 Å²	17	55.9 Å²	55.9	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-48.6	179.4	-67.8	157.9	0	0	0	110.7	Y164 C230 L231 S236 V237 L238	Y164-I234 HydrophobicContact CD1-CG2 3.82Å; Y164-I234 HydrophobicContact CD2-CG2 4.47Å; Y164-I234 HydrophobicContact CG-CG2 3.8Å; C230-I234 WeakPolarHBondContact O-CB 3.19Å; C230-I234 WeakPolarHBondContact O-CD1 3.43Å; C230-I234 WeakPolarHBondContact O-CG1 3.33Å; C230-I234 PolarHBondContact O-N 3.47Å; C230-I234 WeakPolarHBondContact SG-CD1 3.45Å; L231-I234 PolarHBondContact O-N 3.2Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 3.05Å; I234-V237 PolarHBondContact O-N 3.47Å; I234-V237 VanDerWaalsContact O-N 3.15Å; I234-L238 HydrophobicContact CG2-CD1 3.85Å; I234-L238 HydrophobicContact CG2-CG 4.12Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.33Å; I234-L238 PolarHBondContact O-N 3.05Å
235	C	82.9	Confident	80.8	Confident	53 Å²	53	57.6 Å²	57.6	36%	0.358	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-39	179.6	-72.2	0	0	0	0	112	L231 L238 A239	L231-C235 WeakPolarHBondContact O-CB 3.33Å; L231-C235 PolarHBondContact O-N 3.4Å; L231-C235 PolarHBondContact O-SG 2.64Å; C235-L238 PolarHBondContact O-N 3.36Å; C235-A239 WeakPolarHBondContact O-CB 2.94Å; C235-A239 PolarHBondContact O-N 3.47Å
236	S	83.2	Confident	82	Confident	20 Å²	20	54.8 Å²	54.8	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-41.2	175.3	-66	0	0	0	0	112.7	L232 A233 I234 A239 F240 L256 L269	L232-S236 WeakPolarHBondContact O-CB 3.46Å; L232-S236 PolarHBondContact O-N 2.79Å; L232-S236 PolarHBondContact O-OG 3.44Å; A233-S236 PolarHBondContact O-N 2.96Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 3.05Å; S236-A239 PolarHBondContact O-N 3.14Å; S236-F240 PolarHBondContact O-N 3.35Å; S236-L256 WeakPolarHBondContact O-CD2 3.45Å; S236-L269 WeakPolarHBondContact OG-CD1 3.39Å
237	V	87	Confident	83.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.5	-48.5	172.8	168.8	0	0	0	0	110.6	Y159 A233 I234 A239 F240 E241 W248 L256 L277	Y159-V237 HydrophobicContact CD1-CG1 4.23Å; Y159-V237 HydrophobicContact CD2-CB 4.5Å; Y159-V237 HydrophobicContact CD2-CG1 3.95Å; Y159-V237 HydrophobicContact CE1-CG1 3.85Å; Y159-V237 HydrophobicContact CE2-CB 4.38Å; Y159-V237 HydrophobicContact CE2-CG1 3.5Å; Y159-V237 VanDerWaalsContact CE2-CG1 3.5Å; Y159-V237 HydrophobicContact CG-CG1 4.29Å; Y159-V237 VanDerWaalsContact CZ-CG1 3.5Å; A233-V237 WeakPolarHBondContact O-CG2 3.35Å; A233-V237 PolarHBondContact O-N 3.23Å; A233-V237 VanDerWaalsContact O-N 3.08Å; I234-V237 PolarHBondContact O-N 3.47Å; I234-V237 VanDerWaalsContact O-N 3.15Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 3.45Å; V237-F240 WeakPolarHBondContact O-CB 3.44Å; V237-F240 PolarHBondContact O-N 3.11Å; V237-F240 VanDerWaalsContact O-N 3.11Å; V237-E241 HydrophobicContact CG1-CG 4.35Å; V237-E241 WeakPolarHBondContact O-CG 3.27Å; V237-E241 PolarHBondContact O-N 3.21Å; V237-W248 HydrophobicContact CG1-CB 3.68Å; V237-W248 HydrophobicContact CG1-CG 4.16Å; V237-W248 HydrophobicContact CG2-CD2 4.11Å; V237-W248 HydrophobicContact CG2-CE3 4.34Å; V237-W248 HydrophobicContact CG2-CG 4.22Å; V237-L256 HydrophobicContact CG2-CD1 4.02Å; V237-L277 HydrophobicContact CG2-CD1 4.14Å; V237-L277 HydrophobicContact CG2-CD2 3.95Å
238	L	84.3	Confident	83.9	Confident	31 Å²	31	48.5 Å²	48.5	16%	0.162	27%	0.274	C	S	.	.	H	α-helix	trans	-60.7	-40.5	178.7	-67.8	-179.6	0	0	0	112.6	Q136 Y164 I234 C235 F240 E241 K242	Q136-L238 HydrophobicContact CB-CD2 4.26Å; Q136-L238 HydrophobicContact CG-CD2 4.17Å; Q136-L238 PolarHBondContact OE1-O 2.92Å; Y164-L238 HydrophobicContact CE1-CD2 3.96Å; Y164-L238 HydrophobicContact CE2-CD1 4.49Å; Y164-L238 HydrophobicContact CE2-CD2 4.18Å; Y164-L238 WeakPolarHBondContact OH-CD2 3.45Å; I234-L238 HydrophobicContact CG2-CD1 3.85Å; I234-L238 HydrophobicContact CG2-CG 4.12Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.33Å; I234-L238 PolarHBondContact O-N 3.05Å; C235-L238 PolarHBondContact O-N 3.36Å; L238-F240 VanDerWaalsContact C-N 3.32Å; L238-F240 PolarHBondContact O-N 3.43Å; L238-E241 PolarHBondContact O-N 2.84Å; L238-K242 WeakPolarHBondContact O-CB 3.48Å; L238-K242 PolarHBondContact O-N 2.93Å
239	A	82.1	Confident	84.6	Confident	59 Å²	59	45.5 Å²	45.5	49%	0.488	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-40.3	175.3	0	0	0	0	0	111.8	C235 S236 V237 S243	C235-A239 WeakPolarHBondContact O-CB 2.94Å; C235-A239 PolarHBondContact O-N 3.47Å; S236-A239 PolarHBondContact O-N 3.14Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 3.45Å; A239-S243 PolarHBondContact O-N 2.76Å; A239-S243 PolarHBondContact O-OG 3.43Å
240	F	88.3	Confident	85	Confident	19 Å²	19	44.8 Å²	44.8	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-47.8	172.9	174.4	-84.3	0	0	0	111.8	S236 V237 L238 K242 S243 A244 W248 D252 V255 L256	S236-F240 PolarHBondContact O-N 3.35Å; V237-F240 WeakPolarHBondContact O-CB 3.44Å; V237-F240 PolarHBondContact O-N 3.11Å; V237-F240 VanDerWaalsContact O-N 3.11Å; L238-F240 VanDerWaalsContact C-N 3.32Å; L238-F240 PolarHBondContact O-N 3.43Å; F240-K242 VanDerWaalsContact C-N 3.28Å; F240-K242 PolarHBondContact O-N 2.74Å; F240-S243 PolarHBondContact O-N 3.45Å; F240-S243 PolarHBondContact O-OG 3.01Å; F240-A244 HydrophobicContact CD1-CB 4.27Å; F240-A244 HydrophobicContact CE1-CB 3.86Å; F240-A244 HydrophobicContact CE2-CB 4.42Å; F240-A244 HydrophobicContact CZ-CB 3.95Å; F240-A244 VanDerWaalsContact O-CB 3.29Å; F240-A244 WeakPolarHBondContact O-CB 3.19Å; F240-A244 PolarHBondContact O-N 2.91Å; F240-W248 HydrophobicContact CD1-CB 3.8Å; F240-W248 AromaticContact CD1-CD1 3.73Å; F240-W248 HydrophobicContact CD1-CG 4.19Å; F240-W248 HydrophobicContact CE1-CB 4.16Å; F240-W248 AromaticContact CG-CD1 3.95Å; F240-D252 HydrophobicContact CE1-CB 4.34Å; F240-D252 HydrophobicContact CE2-CB 3.98Å; F240-D252 HydrophobicContact CZ-CB 3.74Å; F240-V255 HydrophobicContact CD2-CB 4.29Å; F240-V255 HydrophobicContact CD2-CG1 3.88Å; F240-V255 HydrophobicContact CE2-CB 4.09Å; F240-V255 HydrophobicContact CE2-CG1 3.88Å; F240-V255 HydrophobicContact CE2-CG2 4.33Å; F240-L256 HydrophobicContact CB-CD2 3.82Å; F240-L256 HydrophobicContact CD2-CD2 4.48Å; F240-L256 HydrophobicContact CG-CD2 4.4Å
241	E	87.6	Confident	85.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-36.7	-178.2	-64.7	-163.5	162.8	0	0	112.6	Q136 Y159 V237 L238 G245 R246 R247 W248	Q136-E241 HydrophobicContact CB-CB 4.26Å; Q136-E241 PolarHBondContact N-OE2 3.38Å; Y159-E241 PolarHBondContact OH-OE1 2.97Å; V237-E241 HydrophobicContact CG1-CG 4.35Å; V237-E241 WeakPolarHBondContact O-CG 3.27Å; V237-E241 PolarHBondContact O-N 3.21Å; L238-E241 PolarHBondContact O-N 2.84Å; E241-G245 WeakPolarHBondContact O-CA 3.3Å; E241-G245 PolarHBondContact O-N 3.24Å; E241-R246 WeakPolarHBondContact CA-O 3.42Å; E241-R246 WeakPolarHBondContact CG-O 3.41Å; E241-R247 VanDerWaalsContact OE1-CA 3.24Å; E241-R247 WeakPolarHBondContact OE1-CA 3.48Å; E241-R247 WeakPolarHBondContact OE1-CG 2.97Å; E241-W248 HydrophobicContact CG-CB 4.21Å; E241-W248 PolarHBondContact OE1-N 3.01Å
242	K	80.9	Confident	85.9	Confident	164 Å²	164	51.7 Å²	51.7	71%	0.713	29%	0.291	S	S	*	.	H	α-helix	trans	-62.7	-41.5	174.8	-172.1	-179.7	176.5	-173.7	0	112	L238 F240	L238-K242 WeakPolarHBondContact O-CB 3.48Å; L238-K242 PolarHBondContact O-N 2.93Å; F240-K242 VanDerWaalsContact C-N 3.28Å; F240-K242 PolarHBondContact O-N 2.74Å
243	S	84.9	Confident	86.2	Confident	102 Å²	102	51.2 Å²	51.2	71%	0.713	29%	0.291	S	S	*	.	H	α-helix	trans	-80	-40.4	-178.1	65.7	0	0	0	0	112.8	A239 F240	A239-S243 PolarHBondContact O-N 2.76Å; A239-S243 PolarHBondContact O-OG 3.43Å; F240-S243 PolarHBondContact O-N 3.45Å; F240-S243 PolarHBondContact O-OG 3.01Å
244	A	88.5	Confident	86.1	Confident	48 Å²	48	58.2 Å²	58.2	40%	0.397	32%	0.323	S	S	.	.	H	α-helix	trans	-82	-17.3	-178.3	0	0	0	0	0	113.4	F240 R246	F240-A244 HydrophobicContact CD1-CB 4.27Å; F240-A244 HydrophobicContact CE1-CB 3.86Å; F240-A244 HydrophobicContact CE2-CB 4.42Å; F240-A244 HydrophobicContact CZ-CB 3.95Å; F240-A244 VanDerWaalsContact O-CB 3.29Å; F240-A244 WeakPolarHBondContact O-CB 3.19Å; F240-A244 PolarHBondContact O-N 2.91Å; A244-R246 HydrophobicContact CB-CG 4.06Å; A244-R246 PolarHBondContact O-N 2.71Å
245	G	85.4	Confident	86.1	Confident	52 Å²	52	60.1 Å²	60.1	54%	0.536	34%	0.336	S	S	.	.	S	Bend	trans	69	12.4	-178	0	0	0	0	0	114.3	E241	E241-G245 WeakPolarHBondContact O-CA 3.3Å; E241-G245 PolarHBondContact O-N 3.24Å
246	R	88.9	Confident	85.9	Confident	111 Å²	111	57.8 Å²	57.8	42%	0.419	32%	0.32	S	S	.	.	S	Bend	trans	-141	164.9	-179.6	65.1	165.4	179	84.4	-6.5	110.9	E241 A244 D252	E241-R246 WeakPolarHBondContact CA-O 3.42Å; E241-R246 WeakPolarHBondContact CG-O 3.41Å; A244-R246 HydrophobicContact CB-CG 4.06Å; A244-R246 PolarHBondContact O-N 2.71Å; R246-D252 IonicContact CZ-OD1 2.88Å; R246-D252 IonicContact CZ-OD2 3.5Å; R246-D252 IonicContact NH1-OD1 3.41Å; R246-D252 IonicContact NH1-OD2 2.76Å; R246-D252 PolarHBondContact NH1-OD2 3.36Å; R246-D252 VanDerWaalsContact NH2-CG 3.34Å; R246-D252 IonicContact NH2-OD1 2.72Å; R246-D252 PolarHBondContact NH2-OD1 2.86Å; R246-D252 IonicContact NH2-OD2 3.33Å; R246-D252 PolarHBondContact NH2-OD2 3.31Å
247	R	90	Very high	85.5	Confident	59 Å²	59	59.1 Å²	59.1	22%	0.223	33%	0.327	C	S	.	.			trans	-62.5	142.7	175.5	-161.8	178.8	174.5	82.9	-5	111.6	D133 Q134 S157 L158 Y159 E241	D133-R247 VanDerWaalsContact CG-NH2 3.35Å; D133-R247 VanDerWaalsContact O-CD 3.27Å; D133-R247 WeakPolarHBondContact O-CD 3.47Å; D133-R247 PolarHBondContact O-NE 3.47Å; D133-R247 PolarHBondContact O-NH1 3.43Å; D133-R247 IonicContact OD1-CZ 3.16Å; D133-R247 IonicContact OD1-NH2 2.68Å; D133-R247 PolarHBondContact OD1-NH2 3.45Å; Q134-R247 PolarHBondContact O-NH1 2.87Å; S157-R247 PolarHBondContact OG-NH1 3.27Å; L158-R247 PolarHBondContact O-NH2 2.99Å; Y159-R247 HydrophobicContact CE1-CG 4.47Å; Y159-R247 PolarHBondContact OH-NH1 3.11Å; Y159-R247 VanDerWaalsContact OH-NH1 3.1Å; E241-R247 VanDerWaalsContact OE1-CA 3.24Å; E241-R247 WeakPolarHBondContact OE1-CA 3.48Å; E241-R247 WeakPolarHBondContact OE1-CG 2.97Å
248	W	90.5	Very high	84.5	Confident	11 Å²	11	62.4 Å²	62.4	4%	0.042	35%	0.35	C	S	.	.			trans	-69	145.8	171.4	179	85.5	0	0	0	110.7	Y159 V237 F240 E241 P250 A253 L256 L277	Y159-W248 AromaticContact CD1-CE3 3.82Å; Y159-W248 HydrophobicContact CD1-CE3 3.82Å; Y159-W248 HydrophobicContact CD1-CZ3 4.3Å; Y159-W248 HydrophobicContact CE1-CE3 4.38Å; V237-W248 HydrophobicContact CG1-CB 3.68Å; V237-W248 HydrophobicContact CG1-CG 4.16Å; V237-W248 HydrophobicContact CG2-CD2 4.11Å; V237-W248 HydrophobicContact CG2-CE3 4.34Å; V237-W248 HydrophobicContact CG2-CG 4.22Å; F240-W248 HydrophobicContact CD1-CB 3.8Å; F240-W248 AromaticContact CD1-CD1 3.73Å; F240-W248 HydrophobicContact CD1-CG 4.19Å; F240-W248 HydrophobicContact CE1-CB 4.16Å; F240-W248 AromaticContact CG-CD1 3.95Å; E241-W248 HydrophobicContact CG-CB 4.21Å; E241-W248 PolarHBondContact OE1-N 3.01Å; W248-P250 HydrophobicContact CH2-CB 4.49Å; W248-P250 HydrophobicContact CH2-CG 4.4Å; W248-P250 HydrophobicContact CZ3-CG 4.36Å; W248-A253 HydrophobicContact CZ2-CB 4.35Å; W248-L256 HydrophobicContact CZ2-CD1 4.16Å; W248-L277 HydrophobicContact CH2-CB 3.87Å; W248-L277 HydrophobicContact CZ2-CB 4.49Å; W248-L277 HydrophobicContact CZ3-CB 4.37Å; W248-L277 WeakPolarHBondContact CZ3-O 3.24Å
249	S	88.8	Confident	83.4	Confident	37 Å²	37	64.1 Å²	64.1	26%	0.259	36%	0.364	S	S	.	.			trans	-129.5	158.1	173.6	75.1	0	0	0	0	111	K251 D252	S249-K251 PolarHBondContact O-N 3.38Å; S249-K251 PolarHBondContact OG-N 3.39Å; S249-D252 PolarHBondContact N-OD2 3.5Å; S249-D252 WeakPolarHBondContact O-CA 3.49Å; S249-D252 WeakPolarHBondContact O-CB 3.13Å; S249-D252 PolarHBondContact O-N 2.91Å; S249-D252 PolarHBondContact OG-OD2 3.47Å
250	P	87.6	Confident	82	Confident	67 Å²	67	62.4 Å²	62.4	44%	0.435	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-53.7	-23.3	174	-29.5	36.8	0	0	0	114.6	W248 D252 A253	W248-P250 HydrophobicContact CH2-CB 4.49Å; W248-P250 HydrophobicContact CH2-CG 4.4Å; W248-P250 HydrophobicContact CZ3-CG 4.36Å; P250-D252 PolarHBondContact O-N 2.95Å; P250-A253 VanDerWaalsContact O-CB 3.25Å; P250-A253 WeakPolarHBondContact O-CB 3.22Å; P250-A253 PolarHBondContact O-N 2.76Å
251	K	87.4	Confident	80	Confident	193 Å²	193	69.9 Å²	69.9	84%	0.839	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-67.6	-23.3	175.1	-60.8	178.1	-179.1	176.3	0	112.7	S249 A253	S249-K251 PolarHBondContact O-N 3.38Å; S249-K251 PolarHBondContact OG-N 3.39Å; K251-A253 VanDerWaalsContact C-N 3.31Å
252	D	88.2	Confident	77.9	Confident	19 Å²	19	78.7 Å²	78.7	10%	0.102	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-89.6	4.9	-179.8	-54.1	-59.4	0	0	0	112.5	F240 R246 S249 P250 Q254 V255	F240-D252 HydrophobicContact CE1-CB 4.34Å; F240-D252 HydrophobicContact CE2-CB 3.98Å; F240-D252 HydrophobicContact CZ-CB 3.74Å; R246-D252 IonicContact CZ-OD1 2.88Å; R246-D252 IonicContact CZ-OD2 3.5Å; R246-D252 IonicContact NH1-OD1 3.41Å; R246-D252 IonicContact NH1-OD2 2.76Å; R246-D252 PolarHBondContact NH1-OD2 3.36Å; R246-D252 VanDerWaalsContact NH2-CG 3.34Å; R246-D252 IonicContact NH2-OD1 2.72Å; R246-D252 PolarHBondContact NH2-OD1 2.86Å; R246-D252 IonicContact NH2-OD2 3.33Å; R246-D252 PolarHBondContact NH2-OD2 3.31Å; S249-D252 PolarHBondContact N-OD2 3.5Å; S249-D252 WeakPolarHBondContact O-CA 3.49Å; S249-D252 WeakPolarHBondContact O-CB 3.13Å; S249-D252 PolarHBondContact O-N 2.91Å; S249-D252 PolarHBondContact OG-OD2 3.47Å; P250-D252 PolarHBondContact O-N 2.95Å; D252-Q254 PolarHBondContact O-N 3.4Å; D252-Q254 VanDerWaalsContact O-N 3.14Å; D252-V255 WeakPolarHBondContact O-CB 3.34Å; D252-V255 PolarHBondContact O-N 3.48Å
253	A	85.8	Confident	75.8	Confident	13 Å²	13	72.9 Å²	72.9	11%	0.107	41%	0.408	C	S	.	.	H	α-helix	trans	-51.5	-39.2	-177.5	0	0	0	0	0	113.3	W248 P250 K251 V255 L256 I274	W248-A253 HydrophobicContact CZ2-CB 4.35Å; P250-A253 VanDerWaalsContact O-CB 3.25Å; P250-A253 WeakPolarHBondContact O-CB 3.22Å; P250-A253 PolarHBondContact O-N 2.76Å; K251-A253 VanDerWaalsContact C-N 3.31Å; A253-V255 VanDerWaalsContact C-N 3.3Å; A253-V255 PolarHBondContact O-N 2.8Å; A253-L256 PolarHBondContact O-N 2.9Å; A253-I274 HydrophobicContact CB-CG2 3.66Å
254	Q	81.9	Confident	73.7	Confident	147 Å²	147	77.8 Å²	77.8	69%	0.687	42%	0.42	S	S	*	.	H	α-helix	trans	-67.2	-29	179.3	-63.7	-60.9	-17.7	0	0	113	D252 L256 V257 S258	D252-Q254 PolarHBondContact O-N 3.4Å; D252-Q254 VanDerWaalsContact O-N 3.14Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-L256 PolarHBondContact O-N 2.84Å; Q254-V257 WeakPolarHBondContact O-CB 3.35Å; Q254-V257 PolarHBondContact O-N 3.44Å; Q254-S258 PolarHBondContact O-N 3.08Å; Q254-S258 PolarHBondContact O-OG 3.29Å
255	V	83.2	Confident	71.6	Confident	58 Å²	58	78.8 Å²	78.8	35%	0.352	43%	0.428	S	S	.	.	H	α-helix	trans	-66.5	-39.3	178.7	-176	0	0	0	0	110.5	F240 D252 A253 V257 S258 S259	F240-V255 HydrophobicContact CD2-CB 4.29Å; F240-V255 HydrophobicContact CD2-CG1 3.88Å; F240-V255 HydrophobicContact CE2-CB 4.09Å; F240-V255 HydrophobicContact CE2-CG1 3.88Å; F240-V255 HydrophobicContact CE2-CG2 4.33Å; D252-V255 WeakPolarHBondContact O-CB 3.34Å; D252-V255 PolarHBondContact O-N 3.48Å; A253-V255 VanDerWaalsContact C-N 3.3Å; A253-V255 PolarHBondContact O-N 2.8Å; V255-V257 VanDerWaalsContact C-N 3.27Å; V255-V257 PolarHBondContact O-N 2.66Å; V255-S258 WeakPolarHBondContact CA-OG 3.24Å; V255-S258 PolarHBondContact O-N 2.83Å; V255-S258 VanDerWaalsContact O-N 3.16Å; V255-S258 PolarHBondContact O-OG 2.97Å; V255-S259 PolarHBondContact O-N 3.33Å; V255-S259 PolarHBondContact O-OG 2.76Å; V255-S259 VanDerWaalsContact O-OG 3.12Å
256	L	80.4	Confident	69.4	Low	4 Å²	4	80 Å²	80	2%	0.021	44%	0.441	C	S	.	.	H	α-helix	trans	-65	-31.8	176.8	-60.1	-174.2	0	0	0	112.3	S236 V237 F240 W248 A253 Q254 T260 L277	S236-L256 WeakPolarHBondContact O-CD2 3.45Å; V237-L256 HydrophobicContact CG2-CD1 4.02Å; F240-L256 HydrophobicContact CB-CD2 3.82Å; F240-L256 HydrophobicContact CD2-CD2 4.48Å; F240-L256 HydrophobicContact CG-CD2 4.4Å; W248-L256 HydrophobicContact CZ2-CD1 4.16Å; A253-L256 PolarHBondContact O-N 2.9Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-L256 PolarHBondContact O-N 2.84Å; L256-T260 WeakPolarHBondContact O-CG2 3.43Å; L256-T260 PolarHBondContact O-N 3.33Å; L256-T260 PolarHBondContact O-OG1 3.01Å; L256-L277 HydrophobicContact CD1-CD1 4.16Å
257	V	74.9	Confident	67.7	Low	48 Å²	48	77.9 Å²	77.9	29%	0.291	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-44	173.5	-177.2	0	0	0	0	110.7	Q254 V255 T260 I274	Q254-V257 WeakPolarHBondContact O-CB 3.35Å; Q254-V257 PolarHBondContact O-N 3.44Å; V255-V257 VanDerWaalsContact C-N 3.27Å; V255-V257 PolarHBondContact O-N 2.66Å; V257-T260 PolarHBondContact O-OG1 3.1Å; V257-I274 HydrophobicContact CB-CD1 4.37Å; V257-I274 HydrophobicContact CG2-CD1 3.26Å
258	S	65.7	Low	66.3	Low	69 Å²	69	79.2 Å²	79.2	48%	0.483	46%	0.456	S	S	.	.	H	α-helix	trans	-71.1	-45.5	-179	44	0	0	0	0	112.6	Q254 V255 T260 K261	Q254-S258 PolarHBondContact O-N 3.08Å; Q254-S258 PolarHBondContact O-OG 3.29Å; V255-S258 WeakPolarHBondContact CA-OG 3.24Å; V255-S258 PolarHBondContact O-N 2.83Å; V255-S258 VanDerWaalsContact O-N 3.16Å; V255-S258 PolarHBondContact O-OG 2.97Å; S258-T260 VanDerWaalsContact C-N 3.26Å; S258-T260 PolarHBondContact O-N 3.43Å; S258-K261 PolarHBondContact O-N 3.37Å; S258-K261 VanDerWaalsContact O-N 3.16Å
259	S	61	Low	65.2	Low	66 Å²	66	79.1 Å²	79.1	46%	0.462	46%	0.456	S	S	.	.	H	α-helix	trans	-67.6	-24.5	-174.6	-56.9	0	0	0	0	113.6	V255 K261 E262 G263	V255-S259 PolarHBondContact O-N 3.33Å; V255-S259 PolarHBondContact O-OG 2.76Å; V255-S259 VanDerWaalsContact O-OG 3.12Å; S259-K261 VanDerWaalsContact C-N 3.27Å; S259-K261 PolarHBondContact O-N 2.9Å; S259-E262 PolarHBondContact O-N 3.11Å; S259-G263 PolarHBondContact O-N 3.15Å
260	T	52.7	Low	64.5	Low	24 Å²	24	78.8 Å²	78.8	15%	0.147	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.4	177.8	48.5	0	0	0	0	114	L256 V257 S258 E262 L269	L256-T260 WeakPolarHBondContact O-CG2 3.43Å; L256-T260 PolarHBondContact O-N 3.33Å; L256-T260 PolarHBondContact O-OG1 3.01Å; V257-T260 PolarHBondContact O-OG1 3.1Å; S258-T260 VanDerWaalsContact C-N 3.26Å; S258-T260 PolarHBondContact O-N 3.43Å; T260-E262 VanDerWaalsContact C-N 3.35Å; T260-L269 HydrophobicContact CG2-CB 4.22Å; T260-L269 HydrophobicContact CG2-CD1 3.78Å
261	K	45.5	Very low	64	Low	176 Å²	176	80.7 Å²	80.7	77%	0.765	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.9	172.2	-68.5	-175.6	176.7	-179.8	0	113.3	S258 S259	S258-K261 PolarHBondContact O-N 3.37Å; S258-K261 VanDerWaalsContact O-N 3.16Å; S259-K261 VanDerWaalsContact C-N 3.27Å; S259-K261 PolarHBondContact O-N 2.9Å
262	E	43.8	Very low	63.8	Low	185 Å²	185	76.4 Å²	76.4	86%	0.864	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	-0.1	-171.4	-65.3	-179.7	168.8	0	0	114	S259 T260	S259-E262 PolarHBondContact O-N 3.11Å; T260-E262 VanDerWaalsContact C-N 3.35Å
263	G	37.9	Very low	63.6	Low	42 Å²	42	76 Å²	76	43%	0.433	45%	0.454	S	S	.	.	S	Bend	trans	-109.2	147.6	-170.6	0	0	0	0	0	117	S259 A265	S259-G263 PolarHBondContact O-N 3.15Å; G263-A265 PolarHBondContact O-N 2.72Å
264	E	39.8	Very low	63.4	Low	205 Å²	205	76.2 Å²	76.2	96%	0.958	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-2.6	-161.8	-65.9	174.6	144.7	0	0	119.5
265	A	44.2	Very low	63.6	Low	69 Å²	69	72.2 Å²	72.2	57%	0.57	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-1.9	-176.4	0	0	0	0	0	115.4	G263 L267	G263-A265 PolarHBondContact O-N 2.72Å; A265-L267 PolarHBondContact O-N 3.31Å; A265-L267 VanDerWaalsContact O-N 3.09Å
266	G	39.8	Very low	63.7	Low	78 Å²	78	74.4 Å²	74.4	80%	0.804	44%	0.443	S	S	*	.			trans	60.6	21.7	174.2	0	0	0	0	0	115.4
267	L	52.3	Low	64	Low	65 Å²	65	74.2 Å²	74.2	34%	0.34	44%	0.443	S	S	.	.			trans	-125.2	107	-174.2	-82.3	153.3	0	0	0	109.8	K228 L232 A265	K228-L267 VanDerWaalsContact NZ-CD2 3.31Å; L232-L267 HydrophobicContact CD1-CB 3.96Å; L232-L267 HydrophobicContact CD2-CB 4.03Å; A265-L267 PolarHBondContact O-N 3.31Å; A265-L267 VanDerWaalsContact O-N 3.09Å
268	S	61	Low	64.5	Low	87 Å²	87	73.5 Å²	73.5	61%	0.608	44%	0.44	S	S	*	.			trans	-68	133.4	174	65.9	0	0	0	0	110.4	G270	S268-G270 PolarHBondContact O-N 3Å
269	L	68.7	Low	65.3	Low	9 Å²	9	74.7 Å²	74.7	5%	0.047	44%	0.44	C	S	.	.			trans	-64.5	111.3	163.5	-110.8	89.7	0	0	0	107.7	L232 S236 T260 L273 I274 L277	L232-L269 HydrophobicContact CD1-CD1 4.26Å; L232-L269 HydrophobicContact CD2-CD1 4.16Å; L232-L269 HydrophobicContact CG-CD1 3.69Å; L232-L269 HydrophobicContact CG-CG 4.46Å; S236-L269 WeakPolarHBondContact OG-CD1 3.39Å; T260-L269 HydrophobicContact CG2-CB 4.22Å; T260-L269 HydrophobicContact CG2-CD1 3.78Å; L269-L273 HydrophobicContact CD2-CB 4.01Å; L269-L273 HydrophobicContact CG-CB 4.11Å; L269-L273 HydrophobicContact CG-CD1 4.16Å; L269-I274 HydrophobicContact CB-CD1 4.1Å; L269-I274 HydrophobicContact CB-CG1 4.07Å; L269-I274 HydrophobicContact CD2-CD1 4.49Å; L269-I274 HydrophobicContact CD2-CG1 3.61Å; L269-I274 HydrophobicContact CG-CG1 4.44Å; L269-L277 HydrophobicContact CD2-CD1 3.78Å
270	G	72.6	Confident	66.1	Low	31 Å²	31	77 Å²	77	32%	0.32	45%	0.451	S	S	.	.			trans	-59.9	153	170.9	0	0	0	0	0	110.7	S268 E272 L273 I274	S268-G270 PolarHBondContact O-N 3Å; G270-E272 PolarHBondContact O-N 3.17Å; G270-E272 VanDerWaalsContact O-N 3.11Å; G270-L273 PolarHBondContact O-N 3.48Å; G270-I274 PolarHBondContact O-N 2.97Å
271	S	78.5	Confident	67.2	Low	106 Å²	106	77.6 Å²	77.6	74%	0.741	46%	0.457	S	S	*	.	H	α-helix	trans	-53.6	-32	176.6	52.7	0	0	0	0	112.9	I274 S275	S271-I274 PolarHBondContact O-N 2.83Å; S271-S275 WeakPolarHBondContact O-CB 3.3Å; S271-S275 PolarHBondContact O-N 3.11Å; S271-S275 PolarHBondContact O-OG 3.43Å
272	E	82.5	Confident	68.9	Low	104 Å²	104	73.8 Å²	73.8	49%	0.486	44%	0.444	S	S	.	.	H	α-helix	trans	-64	-37.7	175.4	-169.7	-172.6	172.2	0	0	113.3	G270 S275 R276	G270-E272 PolarHBondContact O-N 3.17Å; G270-E272 VanDerWaalsContact O-N 3.11Å; E272-S275 WeakPolarHBondContact CA-OG 3.3Å; E272-S275 PolarHBondContact O-OG 2.93Å; E272-R276 WeakPolarHBondContact O-CB 3.45Å; E272-R276 VanDerWaalsContact O-CG 3.3Å; E272-R276 WeakPolarHBondContact O-CG 3.41Å; E272-R276 PolarHBondContact O-N 3.35Å; E272-R276 VanDerWaalsContact O-N 3.09Å; E272-R276 IonicContact OE1-CZ 2.6Å; E272-R276 IonicContact OE1-NE 3.31Å; E272-R276 PolarHBondContact OE1-NE 3.4Å; E272-R276 IonicContact OE1-NH2 2.61Å; E272-R276 PolarHBondContact OE1-NH2 3.25Å
273	L	83.1	Confident	70.9	Confident	9 Å²	9	70.1 Å²	70.1	5%	0.047	43%	0.434	C	S	.	.	H	α-helix	trans	-70.2	-40.6	179.4	-61.4	-177.8	0	0	0	110.7	Y162 N229 L232 L269 G270 R276 L277	Y162-L273 VanDerWaalsContact OH-CD2 3.24Å; Y162-L273 WeakPolarHBondContact OH-CD2 3.49Å; N229-L273 HydrophobicContact CB-CD1 4.36Å; N229-L273 HydrophobicContact CB-CD2 3.56Å; L232-L273 HydrophobicContact CD2-CD1 4.01Å; L269-L273 HydrophobicContact CD2-CB 4.01Å; L269-L273 HydrophobicContact CG-CB 4.11Å; L269-L273 HydrophobicContact CG-CD1 4.16Å; G270-L273 PolarHBondContact O-N 3.48Å; L273-R276 PolarHBondContact O-N 3.25Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 3.47Å
274	I	83	Confident	73.3	Confident	18 Å²	18	69.2 Å²	69.2	9%	0.092	42%	0.42	C	S	.	.	H	α-helix	trans	-67.1	-41.3	178.5	-63.8	160.2	0	0	0	110.6	A253 V257 L269 G270 S271 R276 L277 S278	A253-I274 HydrophobicContact CB-CG2 3.66Å; V257-I274 HydrophobicContact CB-CD1 4.37Å; V257-I274 HydrophobicContact CG2-CD1 3.26Å; L269-I274 HydrophobicContact CB-CD1 4.1Å; L269-I274 HydrophobicContact CB-CG1 4.07Å; L269-I274 HydrophobicContact CD2-CD1 4.49Å; L269-I274 HydrophobicContact CD2-CG1 3.61Å; L269-I274 HydrophobicContact CG-CG1 4.44Å; G270-I274 PolarHBondContact O-N 2.97Å; S271-I274 PolarHBondContact O-N 2.83Å; I274-R276 VanDerWaalsContact C-N 3.34Å; I274-R276 PolarHBondContact O-N 3.27Å; I274-L277 PolarHBondContact O-N 3.27Å; I274-S278 WeakPolarHBondContact O-CB 3.41Å; I274-S278 PolarHBondContact O-N 3.46Å; I274-S278 PolarHBondContact O-OG 2.92Å
275	S	84.8	Confident	75.8	Confident	63 Å²	63	60 Å²	60	44%	0.441	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-47.1	176.1	69.2	0	0	0	0	110.4	S271 E272 L277 S278 L279	S271-S275 WeakPolarHBondContact O-CB 3.3Å; S271-S275 PolarHBondContact O-N 3.11Å; S271-S275 PolarHBondContact O-OG 3.43Å; E272-S275 WeakPolarHBondContact CA-OG 3.3Å; E272-S275 PolarHBondContact O-OG 2.93Å; S275-L277 PolarHBondContact O-N 3.09Å; S275-S278 PolarHBondContact O-N 3.38Å; S275-S278 VanDerWaalsContact O-N 3.11Å; S275-L279 WeakPolarHBondContact O-CG 3.43Å; S275-L279 PolarHBondContact O-N 2.96Å; S275-L279 VanDerWaalsContact O-N 3.11Å
276	R	85.8	Confident	78.1	Confident	104 Å²	104	59.6 Å²	59.6	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-38.3	177.1	-74.3	178.1	-175.2	-139.4	7	114.4	G160 T161 Y162 E272 L273 I274 S278	G160-R276 WeakPolarHBondContact CA-O 3.35Å; T161-R276 PolarHBondContact N-O 3.32Å; Y162-R276 HydrophobicContact CD2-CB 4.47Å; Y162-R276 HydrophobicContact CE2-CB 3.59Å; Y162-R276 VanDerWaalsContact OH-CD 3.3Å; Y162-R276 WeakPolarHBondContact OH-CD 3.47Å; E272-R276 WeakPolarHBondContact O-CB 3.45Å; E272-R276 VanDerWaalsContact O-CG 3.3Å; E272-R276 WeakPolarHBondContact O-CG 3.41Å; E272-R276 PolarHBondContact O-N 3.35Å; E272-R276 VanDerWaalsContact O-N 3.09Å; E272-R276 IonicContact OE1-CZ 2.6Å; E272-R276 IonicContact OE1-NE 3.31Å; E272-R276 PolarHBondContact OE1-NE 3.4Å; E272-R276 IonicContact OE1-NH2 2.61Å; E272-R276 PolarHBondContact OE1-NH2 3.25Å; L273-R276 PolarHBondContact O-N 3.25Å; I274-R276 VanDerWaalsContact C-N 3.34Å; I274-R276 PolarHBondContact O-N 3.27Å; R276-S278 VanDerWaalsContact C-N 3.29Å
277	L	86.3	Confident	80.6	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-35.3	172.8	-82.1	169.9	0	0	0	112.2	Y159 G160 Y162 A233 V237 W248 L256 L269 L273 I274 S275	Y159-L277 CarbonylContact C-O 3.56Å; G160-L277 PolarHBondContact N-O 2.98Å; Y162-L277 HydrophobicContact CD2-CD2 3.72Å; Y162-L277 HydrophobicContact CD2-CG 3.89Å; Y162-L277 HydrophobicContact CE2-CD2 4.48Å; Y162-L277 HydrophobicContact CE2-CG 4.18Å; Y162-L277 HydrophobicContact CG-CD2 4.5Å; A233-L277 HydrophobicContact CB-CD1 3.86Å; A233-L277 HydrophobicContact CB-CD2 4.07Å; A233-L277 HydrophobicContact CB-CG 4.02Å; V237-L277 HydrophobicContact CG2-CD1 4.14Å; V237-L277 HydrophobicContact CG2-CD2 3.95Å; W248-L277 HydrophobicContact CH2-CB 3.87Å; W248-L277 HydrophobicContact CZ2-CB 4.49Å; W248-L277 HydrophobicContact CZ3-CB 4.37Å; W248-L277 WeakPolarHBondContact CZ3-O 3.24Å; L256-L277 HydrophobicContact CD1-CD1 4.16Å; L269-L277 HydrophobicContact CD2-CD1 3.78Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 WeakPolarHBondContact O-CG 3.49Å; L273-L277 PolarHBondContact O-N 3.47Å; I274-L277 PolarHBondContact O-N 3.27Å; S275-L277 PolarHBondContact O-N 3.09Å
278	S	85.1	Confident	82.4	Confident	33 Å²	33	57 Å²	57	23%	0.231	34%	0.336	C	S	.	.	H	α-helix	trans	-86.3	-11.1	-174.7	-54.3	0	0	0	0	113.6	I274 S275 R276 T280	I274-S278 WeakPolarHBondContact O-CB 3.41Å; I274-S278 PolarHBondContact O-N 3.46Å; I274-S278 PolarHBondContact O-OG 2.92Å; S275-S278 PolarHBondContact O-N 3.38Å; S275-S278 VanDerWaalsContact O-N 3.11Å; R276-S278 VanDerWaalsContact C-N 3.29Å; S278-T280 PolarHBondContact O-N 3.02Å
279	L	83.6	Confident	83.9	Confident	93 Å²	93	52.9 Å²	52.9	49%	0.487	31%	0.307	S	S	.	.			trans	-61.9	133.9	176.9	-73.5	174.5	0	0	0	110.1	G160 T161 S275	G160-L279 WeakPolarHBondContact CA-O 3.34Å; T161-L279 HydrophobicContact CG2-CD1 4.07Å; S275-L279 WeakPolarHBondContact O-CG 3.43Å; S275-L279 PolarHBondContact O-N 2.96Å; S275-L279 VanDerWaalsContact O-N 3.11Å
280	T	77.7	Confident	85	Confident	114 Å²	114	54 Å²	54	70%	0.699	32%	0.322	S	S	*	.			trans	-92.5	110.5	164.9	-52.3	0	0	0	0	107.3	S278	S278-T280 PolarHBondContact O-N 3.02Å
281	S	75.4	Confident	85.9	Confident	38 Å²	38	55.2 Å²	55.2	27%	0.266	32%	0.32	S	S	.	.			trans	-133.2	127.5	178.5	-175.6	0	0	0	0	110.5	V283 P284	S281-V283 PolarHBondContact OG-N 3.05Å; S281-P284 WeakPolarHBondContact O-CD 3.46Å; S281-P284 WeakPolarHBondContact OG-CD 3.33Å
282	I	81.8	Confident	86.4	Confident	96 Å²	96	51.1 Å²	51.1	49%	0.492	29%	0.29	S	S	.	.	S	Bend	trans	-83.5	-18	173.8	62.2	173.5	0	0	0	112.3	Q78 I285 P286	Q78-I282 HydrophobicContact CG-CG2 4.14Å; I282-I285 HydrophobicContact CB-CD1 4.31Å; I282-I285 HydrophobicContact CG2-CD1 4.4Å; I282-I285 WeakPolarHBondContact O-CB 3.25Å; I282-I285 WeakPolarHBondContact O-CG1 3.34Å; I282-I285 PolarHBondContact O-N 2.87Å; I282-P286 WeakPolarHBondContact O-CD 3.48Å
283	V	85.9	Confident	86.8	Confident	107 Å²	107	46.5 Å²	46.5	65%	0.648	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-44.4	-175.5	-178.5	0	0	0	0	113.9	S281 I285 P286	S281-V283 PolarHBondContact OG-N 3.05Å; V283-I285 PolarHBondContact O-N 2.89Å; V283-P286 WeakPolarHBondContact O-CD 3.36Å
284	P	87.8	Confident	87.2	Confident	23 Å²	23	47.9 Å²	47.9	15%	0.149	29%	0.285	C	S	.	.	H	α-helix	trans	-73.8	-13.4	-178.3	30.6	-36.5	0	0	0	113.2	L158 S281 I287 I288	L158-P284 HydrophobicContact CD1-CB 4.44Å; L158-P284 HydrophobicContact CD1-CG 4.04Å; L158-P284 HydrophobicContact CD2-CG 3.93Å; S281-P284 WeakPolarHBondContact O-CD 3.46Å; S281-P284 WeakPolarHBondContact OG-CD 3.33Å; P284-I287 PolarHBondContact O-N 2.8Å; P284-I288 HydrophobicContact CB-CD1 3.85Å; P284-I288 WeakPolarHBondContact O-CD1 3.44Å; P284-I288 VanDerWaalsContact O-CG1 3.27Å; P284-I288 WeakPolarHBondContact O-CG1 3.44Å; P284-I288 PolarHBondContact O-N 2.93Å
285	I	91.7	Very high	87.4	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-51.4	-169.1	-55.8	-176.4	0	0	0	112.4	A46 L47 E50 L158 I282 V283 I287 I288 S289	A46-I285 HydrophobicContact CB-CD1 3.36Å; A46-I285 HydrophobicContact CB-CG2 4.41Å; A46-I285 WeakPolarHBondContact O-CG2 3.29Å; L47-I285 HydrophobicContact CB-CG2 4.23Å; L47-I285 HydrophobicContact CD1-CG2 4.11Å; E50-I285 HydrophobicContact CB-CG2 4.06Å; E50-I285 HydrophobicContact CG-CG2 3.72Å; L158-I285 HydrophobicContact CD2-CD1 4.23Å; L158-I285 HydrophobicContact CD2-CG1 3.53Å; I282-I285 HydrophobicContact CB-CD1 4.31Å; I282-I285 HydrophobicContact CG2-CD1 4.4Å; I282-I285 WeakPolarHBondContact O-CB 3.25Å; I282-I285 WeakPolarHBondContact O-CG1 3.34Å; I282-I285 PolarHBondContact O-N 2.87Å; V283-I285 PolarHBondContact O-N 2.89Å; I285-I287 VanDerWaalsContact C-N 3.25Å; I285-I287 PolarHBondContact O-N 3.36Å; I285-I288 PolarHBondContact O-N 2.97Å; I285-S289 WeakPolarHBondContact O-CB 3.5Å; I285-S289 PolarHBondContact O-N 3.39Å
286	P	92.4	Very high	87.6	Confident	59 Å²	59	48.1 Å²	48.1	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-31.7	179.2	-21.3	34.9	0	0	0	112.5	I282 V283 G290	I282-P286 WeakPolarHBondContact O-CD 3.48Å; V283-P286 WeakPolarHBondContact O-CD 3.36Å; P286-G290 PolarHBondContact O-N 3.14Å
287	I	91.9	Very high	87.8	Confident	68 Å²	68	43.7 Å²	43.7	35%	0.349	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-52.2	179.3	-58.1	174.5	0	0	0	110	L205 P284 I285 G290 I291	L205-I287 HydrophobicContact CD2-CG2 4.26Å; P284-I287 PolarHBondContact O-N 2.8Å; I285-I287 VanDerWaalsContact C-N 3.25Å; I285-I287 PolarHBondContact O-N 3.36Å; I287-G290 PolarHBondContact O-N 3.4Å; I287-I291 HydrophobicContact CG2-CD1 4.06Å; I287-I291 WeakPolarHBondContact O-CD1 3.34Å; I287-I291 WeakPolarHBondContact O-CG1 3.4Å; I287-I291 PolarHBondContact O-N 3.45Å; I287-I291 VanDerWaalsContact O-N 3.11Å
288	I	91.2	Very high	87.8	Confident	21 Å²	21	47.6 Å²	47.6	11%	0.108	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-46.2	-179.1	-64.7	156.9	0	0	0	110.2	L47 L158 A163 P284 I285 I291 I292	L47-I288 HydrophobicContact CD1-CB 4.24Å; L47-I288 HydrophobicContact CD1-CG2 4.01Å; L158-I288 HydrophobicContact CB-CD1 4.49Å; L158-I288 HydrophobicContact CD1-CD1 3.54Å; L158-I288 HydrophobicContact CD2-CD1 4.23Å; L158-I288 HydrophobicContact CG-CD1 4.3Å; A163-I288 HydrophobicContact CB-CD1 3.44Å; A163-I288 VanDerWaalsContact CB-CD1 3.44Å; A163-I288 HydrophobicContact CB-CG1 3.86Å; A163-I288 HydrophobicContact CB-CG2 4.2Å; P284-I288 HydrophobicContact CB-CD1 3.85Å; P284-I288 WeakPolarHBondContact O-CD1 3.44Å; P284-I288 VanDerWaalsContact O-CG1 3.27Å; P284-I288 WeakPolarHBondContact O-CG1 3.44Å; P284-I288 PolarHBondContact O-N 2.93Å; I285-I288 PolarHBondContact O-N 2.97Å; I288-I291 PolarHBondContact O-N 3.04Å; I288-I292 WeakPolarHBondContact O-CG1 3.29Å; I288-I292 PolarHBondContact O-N 2.97Å
289	S	92.7	Very high	87.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-46.2	178.2	-178.2	0	0	0	0	111.5	E50 S51 N54 I285 I291 I292 C293	E50-S289 PolarHBondContact O-OG 2.52Å; S51-S289 WeakPolarHBondContact CA-OG 3.38Å; S51-S289 PolarHBondContact N-OG 2.99Å; S51-S289 PolarHBondContact OG-OG 3.28Å; S51-S289 VanDerWaalsContact OG-OG 3.06Å; N54-S289 PolarHBondContact ND2-OG 2.89Å; I285-S289 WeakPolarHBondContact O-CB 3.5Å; I285-S289 PolarHBondContact O-N 3.39Å; S289-I291 VanDerWaalsContact C-N 3.35Å; S289-I291 PolarHBondContact O-N 3.19Å; S289-I292 PolarHBondContact O-N 3.41Å; S289-C293 VanDerWaalsContact O-CB 3.28Å; S289-C293 WeakPolarHBondContact O-CB 3.27Å; S289-C293 PolarHBondContact O-N 2.75Å; S289-C293 PolarHBondContact O-SG 3.24Å; S289-C293 VanDerWaalsContact O-SG 3.37Å
290	G	92.2	Very high	87.8	Confident	34 Å²	34	42.3 Å²	42.3	35%	0.351	25%	0.254	S	S	.	.	H	α-helix	trans	-60	-42.1	-179.6	0	0	0	0	0	113.1	N54 P286 I287 G294	N54-G290 PolarHBondContact ND2-N 3.38Å; P286-G290 PolarHBondContact O-N 3.14Å; I287-G290 PolarHBondContact O-N 3.4Å; G290-G294 PolarHBondContact O-N 3.37Å
291	I	90	Very high	88.1	Confident	56 Å²	56	37.7 Å²	37.7	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-48.6	177.8	-70.8	165.2	0	0	0	110.8	L205 I287 I288 S289 G294 E295	L205-I291 HydrophobicContact CD2-CD1 2.93Å; L205-I291 HydrophobicContact CD2-CG1 4.41Å; L205-I291 HydrophobicContact CG-CD1 4.42Å; I287-I291 HydrophobicContact CG2-CD1 4.06Å; I287-I291 WeakPolarHBondContact O-CD1 3.34Å; I287-I291 WeakPolarHBondContact O-CG1 3.4Å; I287-I291 PolarHBondContact O-N 3.45Å; I287-I291 VanDerWaalsContact O-N 3.11Å; I288-I291 PolarHBondContact O-N 3.04Å; S289-I291 VanDerWaalsContact C-N 3.35Å; S289-I291 PolarHBondContact O-N 3.19Å; I291-G294 WeakPolarHBondContact O-CA 3.17Å; I291-G294 PolarHBondContact O-N 2.98Å; I291-E295 PolarHBondContact O-N 3.48Å
292	I	89.3	Confident	88.1	Confident	20 Å²	20	38.2 Å²	38.2	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-76	-39.9	-172.1	-62.5	-81.2	0	0	0	110.9	C154 L156 L167 I288 S289 G294 E295 I296	C154-I292 VanDerWaalsContact SG-CG2 3.55Å; L156-I292 HydrophobicContact CD1-CB 3.92Å; L156-I292 HydrophobicContact CD1-CG1 4.35Å; L156-I292 HydrophobicContact CD1-CG2 3.67Å; L156-I292 HydrophobicContact CD2-CB 3.81Å; L156-I292 HydrophobicContact CD2-CD1 3.67Å; L156-I292 HydrophobicContact CD2-CG1 3.35Å; L156-I292 HydrophobicContact CD2-CG2 3.73Å; L156-I292 HydrophobicContact CG-CB 4.4Å; L156-I292 HydrophobicContact CG-CG1 4.42Å; L156-I292 HydrophobicContact CG-CG2 4.02Å; L167-I292 HydrophobicContact CD1-CD1 4.41Å; L167-I292 HydrophobicContact CD2-CD1 4.23Å; L167-I292 HydrophobicContact CD2-CG2 4.35Å; I288-I292 WeakPolarHBondContact O-CG1 3.29Å; I288-I292 PolarHBondContact O-N 2.97Å; S289-I292 PolarHBondContact O-N 3.41Å; I292-G294 PolarHBondContact O-N 3.12Å; I292-E295 PolarHBondContact O-N 3.43Å; I292-I296 HydrophobicContact CG2-CD1 3.79Å; I292-I296 HydrophobicContact CG2-CG1 4.24Å; I292-I296 WeakPolarHBondContact O-CB 3.45Å; I292-I296 VanDerWaalsContact O-CG1 3.25Å; I292-I296 WeakPolarHBondContact O-CG1 3.47Å; I292-I296 PolarHBondContact O-N 3.26Å
293	C	92.1	Very high	87.2	Confident	6 Å²	6	35.1 Å²	35.1	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-33.8	171.3	-69.2	0	0	0	0	111.1	N54 S289 T297	N54-C293 HydrophobicContact CB-CB 3.6Å; S289-C293 VanDerWaalsContact O-CB 3.28Å; S289-C293 WeakPolarHBondContact O-CB 3.27Å; S289-C293 PolarHBondContact O-N 2.75Å; S289-C293 PolarHBondContact O-SG 3.24Å; S289-C293 VanDerWaalsContact O-SG 3.37Å; C293-T297 VanDerWaalsContact O-CB 3.32Å; C293-T297 WeakPolarHBondContact O-CB 3.24Å; C293-T297 PolarHBondContact O-N 3.16Å; C293-T297 PolarHBondContact O-OG1 3.14Å
294	G	90.8	Very high	86	Confident	38 Å²	38	30.4 Å²	30.4	39%	0.392	18%	0.184	S	C	.	.	H	α-helix	trans	-59.6	-50.2	169.8	0	0	0	0	0	112.6	G290 I291 I292 T297 N298	G290-G294 PolarHBondContact O-N 3.37Å; I291-G294 WeakPolarHBondContact O-CA 3.17Å; I291-G294 PolarHBondContact O-N 2.98Å; I292-G294 PolarHBondContact O-N 3.12Å; G294-T297 PolarHBondContact O-N 2.94Å; G294-N298 WeakPolarHBondContact O-CB 3.48Å; G294-N298 PolarHBondContact O-N 3.45Å
295	E	87.6	Confident	84.3	Confident	86 Å²	86	34.4 Å²	34.4	40%	0.402	20%	0.203	S	C	.	.	H	α-helix	trans	-62.1	-43.4	176.2	-70.1	-55.5	145.3	0	0	112.7	I291 I292 T297 N298 V299	I291-E295 PolarHBondContact O-N 3.48Å; I292-E295 PolarHBondContact O-N 3.43Å; E295-T297 VanDerWaalsContact C-N 3.32Å; E295-T297 PolarHBondContact O-N 3.24Å; E295-N298 WeakPolarHBondContact O-CB 3.14Å; E295-N298 PolarHBondContact O-N 3.05Å; E295-V299 WeakPolarHBondContact O-CB 3.04Å; E295-V299 VanDerWaalsContact O-CG2 3.23Å; E295-V299 WeakPolarHBondContact O-CG2 3.37Å; E295-V299 PolarHBondContact O-N 2.87Å
296	I	89.1	Confident	82.4	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-45.7	175.8	-70.2	166.9	0	0	0	110.2	L55 I128 I130 C154 F169 I292 V299 I300	L55-I296 HydrophobicContact CD2-CG2 4.42Å; I128-I296 HydrophobicContact CD1-CB 4.37Å; I128-I296 HydrophobicContact CD1-CD1 4.14Å; I128-I296 HydrophobicContact CD1-CG1 3.82Å; I128-I296 HydrophobicContact CD1-CG2 3.76Å; I130-I296 HydrophobicContact CD1-CD1 3.59Å; I130-I296 HydrophobicContact CG1-CD1 4Å; C154-I296 HydrophobicContact CB-CD1 4.25Å; F169-I296 HydrophobicContact CE1-CG1 4.48Å; F169-I296 HydrophobicContact CZ-CG1 4.37Å; I292-I296 HydrophobicContact CG2-CD1 3.79Å; I292-I296 HydrophobicContact CG2-CG1 4.24Å; I292-I296 WeakPolarHBondContact O-CB 3.45Å; I292-I296 VanDerWaalsContact O-CG1 3.25Å; I292-I296 WeakPolarHBondContact O-CG1 3.47Å; I292-I296 PolarHBondContact O-N 3.26Å; I296-V299 PolarHBondContact O-N 2.99Å; I296-I300 HydrophobicContact CG2-CD1 3.68Å; I296-I300 HydrophobicContact CG2-CG1 4.42Å; I296-I300 WeakPolarHBondContact O-CB 3.44Å; I296-I300 VanDerWaalsContact O-CG1 3.24Å; I296-I300 WeakPolarHBondContact O-CG1 3.4Å; I296-I300 PolarHBondContact O-N 3.04Å
297	T	89.5	Confident	80.4	Confident	10 Å²	10	43.9 Å²	43.9	6%	0.061	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-43.9	178.8	-55.3	0	0	0	0	110.6	W26 I34 C293 G294 E295 V299 I300 T301	W26-T297 HydrophobicContact CE3-CG2 4Å; W26-T297 HydrophobicContact CH2-CG2 3.56Å; W26-T297 HydrophobicContact CZ2-CG2 4.07Å; W26-T297 HydrophobicContact CZ3-CG2 3.53Å; I34-T297 HydrophobicContact CD1-CG2 3.4Å; I34-T297 VanDerWaalsContact CD1-CG2 3.4Å; I34-T297 HydrophobicContact CG1-CG2 4.04Å; C293-T297 VanDerWaalsContact O-CB 3.32Å; C293-T297 WeakPolarHBondContact O-CB 3.24Å; C293-T297 PolarHBondContact O-N 3.16Å; C293-T297 PolarHBondContact O-OG1 3.14Å; G294-T297 PolarHBondContact O-N 2.94Å; E295-T297 VanDerWaalsContact C-N 3.32Å; E295-T297 PolarHBondContact O-N 3.24Å; T297-V299 PolarHBondContact O-N 2.74Å; T297-I300 PolarHBondContact O-N 3.31Å; T297-T301 HydrophobicContact CG2-CG2 4.29Å; T297-T301 WeakPolarHBondContact O-CG2 3.46Å; T297-T301 PolarHBondContact O-N 2.87Å; T297-T301 PolarHBondContact O-OG1 3.16Å
298	N	86.3	Confident	78.3	Confident	83 Å²	83	42.2 Å²	42.2	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-57.5	-49.5	175.8	-170.3	23.5	0	0	0	111.1	G294 E295 I300 T301 V302	G294-N298 WeakPolarHBondContact O-CB 3.48Å; G294-N298 PolarHBondContact O-N 3.45Å; E295-N298 WeakPolarHBondContact O-CB 3.14Å; E295-N298 PolarHBondContact O-N 3.05Å; N298-I300 PolarHBondContact O-N 3.18Å; N298-T301 WeakPolarHBondContact CA-OG1 3.48Å; N298-T301 PolarHBondContact O-N 2.97Å; N298-T301 PolarHBondContact O-OG1 3.25Å; N298-V302 WeakPolarHBondContact O-CB 3.33Å; N298-V302 WeakPolarHBondContact O-CG2 3.39Å; N298-V302 PolarHBondContact O-N 3.39Å
299	V	83.5	Confident	75.7	Confident	14 Å²	14	46.6 Å²	46.6	9%	0.085	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-47.1	176.6	169.6	0	0	0	0	111.6	F169 E295 I296 T297 T301 V302 V303	F169-V299 HydrophobicContact CB-CG1 3.91Å; F169-V299 HydrophobicContact CD1-CB 4.41Å; F169-V299 HydrophobicContact CD1-CG1 3.76Å; F169-V299 HydrophobicContact CD1-CG2 4.32Å; F169-V299 HydrophobicContact CD2-CB 4.38Å; F169-V299 HydrophobicContact CD2-CG1 4.17Å; F169-V299 HydrophobicContact CD2-CG2 3.47Å; F169-V299 VanDerWaalsContact CD2-CG2 3.47Å; F169-V299 HydrophobicContact CE1-CB 4.47Å; F169-V299 HydrophobicContact CE1-CG1 4.25Å; F169-V299 HydrophobicContact CE1-CG2 4.33Å; F169-V299 HydrophobicContact CE2-CB 4.44Å; F169-V299 HydrophobicContact CE2-CG2 3.48Å; F169-V299 VanDerWaalsContact CE2-CG2 3.48Å; F169-V299 HydrophobicContact CG-CB 4.35Å; F169-V299 HydrophobicContact CG-CG1 3.69Å; F169-V299 HydrophobicContact CG-CG2 3.9Å; F169-V299 HydrophobicContact CZ-CB 4.47Å; F169-V299 HydrophobicContact CZ-CG2 3.91Å; E295-V299 WeakPolarHBondContact O-CB 3.04Å; E295-V299 VanDerWaalsContact O-CG2 3.23Å; E295-V299 WeakPolarHBondContact O-CG2 3.37Å; E295-V299 PolarHBondContact O-N 2.87Å; I296-V299 PolarHBondContact O-N 2.99Å; T297-V299 PolarHBondContact O-N 2.74Å; V299-T301 VanDerWaalsContact C-N 3.3Å; V299-T301 PolarHBondContact O-N 3.15Å; V299-V302 PolarHBondContact O-N 3.39Å; V299-V303 HydrophobicContact CG1-CB 4.12Å; V299-V303 HydrophobicContact CG1-CG2 3.97Å; V299-V303 WeakPolarHBondContact O-CA 3.39Å; V299-V303 WeakPolarHBondContact O-CB 3.18Å; V299-V303 WeakPolarHBondContact O-CG2 3.34Å; V299-V303 PolarHBondContact O-N 3.42Å
300	I	85.7	Confident	73.1	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-45.3	177	-70.6	164.7	0	0	0	110.8	R33 I34 S37 I296 T297 N298 V302 M304	R33-I300 HydrophobicContact CB-CG2 4.21Å; I34-I300 HydrophobicContact CB-CG2 4.45Å; I34-I300 HydrophobicContact CG1-CG2 3.95Å; S37-I300 WeakPolarHBondContact OG-CG2 3.37Å; I296-I300 HydrophobicContact CG2-CD1 3.68Å; I296-I300 HydrophobicContact CG2-CG1 4.42Å; I296-I300 WeakPolarHBondContact O-CB 3.44Å; I296-I300 VanDerWaalsContact O-CG1 3.24Å; I296-I300 WeakPolarHBondContact O-CG1 3.4Å; I296-I300 PolarHBondContact O-N 3.04Å; T297-I300 PolarHBondContact O-N 3.31Å; N298-I300 PolarHBondContact O-N 3.18Å; I300-V302 VanDerWaalsContact C-N 3.34Å; I300-V302 PolarHBondContact O-N 3.04Å; I300-M304 HydrophobicContact CB-CE 4.44Å; I300-M304 HydrophobicContact CB-SD 4.06Å; I300-M304 HydrophobicContact CG1-CE 3.58Å; I300-M304 HydrophobicContact CG1-SD 3.71Å; I300-M304 HydrophobicContact CG2-SD 4.04Å
301	T	83.5	Confident	72.1	Confident	16 Å²	16	55.1 Å²	55.1	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-68.3	-32.1	-177.6	62.7	0	0	0	0	112.9	W26 R33 I34 T297 N298 V299	W26-T301 HydrophobicContact CB-CG2 4.02Å; W26-T301 HydrophobicContact CD2-CG2 4.25Å; W26-T301 HydrophobicContact CG-CG2 3.98Å; R33-T301 WeakPolarHBondContact CD-O 3.45Å; R33-T301 PolarHBondContact NH1-O 3.01Å; I34-T301 HydrophobicContact CD1-CG2 3.61Å; I34-T301 HydrophobicContact CG1-CG2 3.79Å; T297-T301 HydrophobicContact CG2-CG2 4.29Å; T297-T301 WeakPolarHBondContact O-CG2 3.46Å; T297-T301 PolarHBondContact O-N 2.87Å; T297-T301 PolarHBondContact O-OG1 3.16Å; N298-T301 WeakPolarHBondContact CA-OG1 3.48Å; N298-T301 PolarHBondContact O-N 2.97Å; N298-T301 PolarHBondContact O-OG1 3.25Å; V299-T301 VanDerWaalsContact C-N 3.3Å; V299-T301 PolarHBondContact O-N 3.15Å
302	V	74.9	Confident	71.2	Confident	50 Å²	50	55.1 Å²	55.1	30%	0.303	30%	0.301	S	S	.	.	H	α-helix	trans	-96.2	-49.7	-174.7	178.2	0	0	0	0	112.2	R33 I176 N298 V299 I300	R33-V302 PolarHBondContact NH1-O 2.87Å; R33-V302 VanDerWaalsContact NH1-O 3.16Å; I176-V302 HydrophobicContact CB-CG1 4.39Å; I176-V302 HydrophobicContact CD1-CG1 4.03Å; I176-V302 HydrophobicContact CG1-CG1 3.74Å; I176-V302 HydrophobicContact CG2-CG1 4.08Å; N298-V302 WeakPolarHBondContact O-CB 3.33Å; N298-V302 WeakPolarHBondContact O-CG2 3.39Å; N298-V302 PolarHBondContact O-N 3.39Å; V299-V302 PolarHBondContact O-N 3.39Å; I300-V302 VanDerWaalsContact C-N 3.34Å; I300-V302 PolarHBondContact O-N 3.04Å
303	V	63.5	Low	70.2	Confident	31 Å²	31	57 Å²	57	19%	0.188	31%	0.312	C	S	.	.	H	α-helix	trans	-86.7	-34.4	-162.8	177.8	0	0	0	0	113.4	C173 I176 V299 I305	C173-V303 WeakPolarHBondContact SG-CG1 3.28Å; C173-V303 WeakPolarHBondContact SG-CG2 3.36Å; I176-V303 HydrophobicContact CD1-CG2 3.76Å; V299-V303 HydrophobicContact CG1-CB 4.12Å; V299-V303 HydrophobicContact CG1-CG2 3.97Å; V299-V303 WeakPolarHBondContact O-CA 3.39Å; V299-V303 WeakPolarHBondContact O-CB 3.18Å; V299-V303 WeakPolarHBondContact O-CG2 3.34Å; V299-V303 PolarHBondContact O-N 3.42Å; V303-I305 PolarHBondContact O-N 3.42Å
304	M	59.6	Low	68.9	Low	7 Å²	7	60 Å²	60	3%	0.034	33%	0.327	C	S	.	.			trans	-81.4	49.7	-164.9	-65	-176.1	178.1	0	0	114.4	T127 H152 I300 D306 I308	T127-M304 HydrophobicContact CG2-CE 3.42Å; T127-M304 VanDerWaalsContact CG2-CE 3.42Å; T127-M304 HydrophobicContact CG2-SD 3.19Å; T127-M304 WeakPolarHBondContact CG2-SD 3.39Å; H152-M304 HydrophobicContact CB-CE 4.42Å; I300-M304 HydrophobicContact CB-CE 4.44Å; I300-M304 HydrophobicContact CB-SD 4.06Å; I300-M304 HydrophobicContact CG1-CE 3.58Å; I300-M304 HydrophobicContact CG1-SD 3.71Å; I300-M304 HydrophobicContact CG2-SD 4.04Å; M304-D306 VanDerWaalsContact C-N 3.33Å; M304-I308 HydrophobicContact CB-CD1 4.15Å
305	I	53.6	Low	67.5	Low	107 Å²	107	61.4 Å²	61.4	55%	0.549	32%	0.323	S	S	.	.	S	Bend	trans	-68.8	-32.4	178.7	-53.2	-168.4	0	0	0	111.4	V303	V303-I305 PolarHBondContact O-N 3.42Å
306	D	50.5	Low	66.2	Low	145 Å²	145	59.7 Å²	59.7	78%	0.775	32%	0.318	S	S	*	.	S	Bend	trans	-115.9	1.7	-159.6	-61.1	-37.7	0	0	0	116.4	M304	M304-D306 VanDerWaalsContact C-N 3.33Å
307	R	50.4	Low	64.5	Low	127 Å²	127	63.9 Å²	63.9	48%	0.479	34%	0.341	S	S	.	.	S	Bend	trans	-117.2	-6.2	-175.4	-85.2	-165.4	171.7	-133.5	-23.9	116.6	L149 K150 P309	L149-R307 PolarHBondContact O-NH1 3.26Å; K150-R307 VanDerWaalsContact C-NH1 3.32Å; K150-R307 VanDerWaalsContact CB-CZ 3.49Å; K150-R307 VanDerWaalsContact CB-NH2 3.26Å; K150-R307 VanDerWaalsContact O-CZ 3.22Å; K150-R307 PolarHBondContact O-NH1 3.09Å; R307-P309 VanDerWaalsContact O-CD 3.29Å; R307-P309 WeakPolarHBondContact O-CD 3.38Å
308	I	47.3	Very low	62.6	Low	33 Å²	33	68.1 Å²	68.1	17%	0.169	36%	0.362	C	S	.	.	S	Bend	trans	-92.2	109.6	-178.5	-60.5	170.3	0	0	0	106.8	R33 K36 M304 D310	R33-I308 HydrophobicContact CB-CD1 4.17Å; R33-I308 HydrophobicContact CG-CD1 4.24Å; K36-I308 HydrophobicContact CB-CD1 4.16Å; K36-I308 HydrophobicContact CB-CG1 4.48Å; K36-I308 HydrophobicContact CB-CG2 3.39Å; K36-I308 HydrophobicContact CD-CB 4.47Å; K36-I308 HydrophobicContact CD-CG2 3.19Å; K36-I308 HydrophobicContact CG-CG2 3.89Å; M304-I308 HydrophobicContact CB-CD1 4.15Å; I308-D310 PolarHBondContact O-N 2.85Å
309	P	37.9	Very low	60.6	Low	112 Å²	112	66.8 Å²	66.8	73%	0.727	36%	0.355	S	S	*	.			trans	-59.5	142.1	173.9	8.5	-2.1	0	0	0	109.1	R307	R307-P309 VanDerWaalsContact O-CD 3.29Å; R307-P309 WeakPolarHBondContact O-CD 3.38Å
310	D	36.9	Very low	58.5	Low	158 Å²	158	71.6 Å²	71.6	85%	0.845	38%	0.38	S	S	*	.			trans	-51.7	0	179.6	-82	-32.2	0	0	0	112.7	K36 I308	K36-D310 PolarHBondContact NZ-OXT 3.25Å; K36-D310 VanDerWaalsContact NZ-OXT 3.14Å; I308-D310 PolarHBondContact O-N 2.85Å

Retrieved 310 of 310 residues in 244.1 ms (Link to these results)

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