A0A077Z7Q2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7Q2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 281 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	25.7	Very low	28.9	Very low	241 Å²	241	103.7 Å²	103.7	100%	1.187	54%	0.543	S	S	*	.				0	104.4	0	-88.5	172	156.1	0	0	108.1	L3	M1-L3 PolarHBondContact O-N 2.95Å
2	S	21	Very low	29.6	Very low	109 Å²	109	96.8 Å²	96.8	76%	0.762	51%	0.509	S	S	*	.			trans	-66	110.4	176.6	167.2	0	0	0	0	108.7	V4	S2-V4 PolarHBondContact O-N 2.93Å
3	L	23.4	Very low	30.1	Very low	156 Å²	156	94.7 Å²	94.7	82%	0.817	50%	0.497	S	S	*	.			trans	-69	92.3	164	-86.9	155.8	0	0	0	106.2	M1 F5	M1-L3 PolarHBondContact O-N 2.95Å; L3-F5 PolarHBondContact O-N 3.26Å
4	V	25.2	Very low	30.7	Very low	112 Å²	112	88.6 Å²	88.6	68%	0.679	47%	0.465	S	S	*	.			trans	-52.9	105.5	170.6	176.1	0	0	0	0	106.9	S2 Q6	S2-V4 PolarHBondContact O-N 2.93Å; V4-Q6 PolarHBondContact O-N 3.43Å
5	F	26.5	Very low	31.3	Very low	179 Å²	179	84.2 Å²	84.2	79%	0.785	45%	0.446	S	S	*	.			trans	-56.6	100.4	172.3	-65.8	-87.8	0	0	0	107.7	L3 D7	L3-F5 PolarHBondContact O-N 3.26Å; F5-D7 PolarHBondContact O-N 3.14Å
6	Q	29.7	Very low	31.8	Very low	155 Å²	155	80.8 Å²	80.8	72%	0.724	43%	0.428	S	S	*	.			trans	-73.7	107.1	170.1	-78.1	-178.2	-23.6	0	0	107.1	V4 I8	V4-Q6 PolarHBondContact O-N 3.43Å; Q6-I8 PolarHBondContact O-N 3.21Å; Q6-I8 VanDerWaalsContact O-N 3.15Å
7	D	30.9	Very low	32.3	Very low	87 Å²	87	79 Å²	79	47%	0.465	42%	0.417	S	S	.	.			trans	-49.3	119.7	167.9	-74	-43.9	0	0	0	108.8	F5 N9	F5-D7 PolarHBondContact O-N 3.14Å; D7-N9 VanDerWaalsContact C-N 3.28Å; D7-N9 PolarHBondContact O-N 2.95Å
8	I	31.5	Very low	32.8	Very low	20 Å²	20	76.9 Å²	76.9	10%	0.103	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-71.7	95.7	170.5	-64.6	-174.3	0	0	0	106.1	Q6 V10 L122 F124	Q6-I8 PolarHBondContact O-N 3.21Å; Q6-I8 VanDerWaalsContact O-N 3.15Å; I8-V10 PolarHBondContact O-N 3.48Å; I8-V10 VanDerWaalsContact O-N 3.08Å; I8-L122 HydrophobicContact CD1-CB 4.42Å; I8-L122 HydrophobicContact CD1-CD1 3.85Å; I8-L122 HydrophobicContact CD1-CD2 3.52Å; I8-L122 HydrophobicContact CD1-CG 4.12Å; I8-L122 HydrophobicContact CG1-CD2 4.32Å; I8-F124 HydrophobicContact CB-CD1 4.23Å; I8-F124 HydrophobicContact CB-CE1 4.3Å; I8-F124 HydrophobicContact CD1-CE1 4.17Å; I8-F124 HydrophobicContact CG2-CD1 3.91Å; I8-F124 HydrophobicContact CG2-CE1 3.87Å
9	N	32	Very low	33.3	Very low	70 Å²	70	75.2 Å²	75.2	37%	0.374	40%	0.396	S	S	.	.			trans	-78.1	29.2	-178	-75.3	-28.5	0	0	0	112.4	D7 L129	D7-N9 VanDerWaalsContact C-N 3.28Å; D7-N9 PolarHBondContact O-N 2.95Å; N9-L129 WeakPolarHBondContact O-CD1 3.34Å
10	V	35.9	Very low	33.6	Very low	4 Å²	4	72.6 Å²	72.6	2%	0.024	39%	0.386	C	S	.	.	S	Bend	trans	-138.4	127	-179.7	-174.8	0	0	0	0	110.4	I8 P12 W75	I8-V10 PolarHBondContact O-N 3.48Å; I8-V10 VanDerWaalsContact O-N 3.08Å; V10-P12 VanDerWaalsContact O-CD 3.31Å; V10-P12 WeakPolarHBondContact O-CD 3.34Å; V10-W75 HydrophobicContact CG1-CD2 4.38Å; V10-W75 HydrophobicContact CG1-CE3 3.85Å; V10-W75 HydrophobicContact CG1-CH2 3.28Å; V10-W75 HydrophobicContact CG1-CZ2 3.85Å; V10-W75 HydrophobicContact CG1-CZ3 3.28Å
11	C	36	Very low	33.7	Very low	8 Å²	8	72.8 Å²	72.8	5%	0.054	38%	0.381	C	S	.	.			trans	-76.6	120.5	-172.4	-163.7	0	0	0	0	110.6	I13 E14 C126	C11-I13 PolarHBondContact O-N 3.45Å; C11-E14 WeakPolarHBondContact O-CB 3.49Å; C11-E14 PolarHBondContact O-N 2.9Å; C11-C126 VanDerWaalsContact CA-SG 3.5Å; C11-C126 HydrophobicContact CB-CB 3.87Å; C11-C126 WeakPolarHBondContact CB-SG 3.43Å; C11-C126 WeakPolarHBondContact SG-CB 3.5Å; C11-C126 CovalentContact SG-SG 2.06Å; C11-C126 PolarHBondContact SG-SG 3.05Å
12	P	36.9	Very low	34.2	Very low	21 Å²	21	65.6 Å²	65.6	14%	0.136	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-11.7	-179.9	-27.9	39.7	0	0	0	114.8	V10 E14 A15 I16 P42 F124	V10-P12 VanDerWaalsContact O-CD 3.31Å; V10-P12 WeakPolarHBondContact O-CD 3.34Å; P12-E14 PolarHBondContact O-N 3.15Å; P12-A15 PolarHBondContact O-N 3.1Å; P12-I16 WeakPolarHBondContact O-CB 3.43Å; P12-I16 VanDerWaalsContact O-CG1 3.27Å; P12-I16 WeakPolarHBondContact O-CG1 3.41Å; P12-I16 PolarHBondContact O-N 3.46Å; P12-P42 HydrophobicContact CB-CB 4.17Å; P12-P42 HydrophobicContact CB-CG 3.04Å; P12-P42 HydrophobicContact CG-CB 4.39Å; P12-P42 HydrophobicContact CG-CG 3.53Å; P12-F124 HydrophobicContact CG-CD1 3.36Å; P12-F124 HydrophobicContact CG-CD2 4.48Å; P12-F124 HydrophobicContact CG-CE1 3.49Å; P12-F124 VanDerWaalsContact CG-CE1 3.49Å; P12-F124 HydrophobicContact CG-CG 3.9Å; P12-F124 HydrophobicContact CG-CZ 4.13Å
13	I	37.1	Very low	34.8	Very low	69 Å²	69	61.8 Å²	61.8	35%	0.354	32%	0.316	S	S	.	.	H	α-helix	trans	-55.9	-40.2	170	-71.4	175.9	0	0	0	110.3	C11 A15 I16 E17	C11-I13 PolarHBondContact O-N 3.45Å; I13-A15 PolarHBondContact O-N 3.01Å; I13-I16 PolarHBondContact O-N 2.91Å; I13-E17 HydrophobicContact CG2-CG 4.07Å; I13-E17 WeakPolarHBondContact O-CB 2.99Å; I13-E17 WeakPolarHBondContact O-CG 3.21Å; I13-E17 PolarHBondContact O-N 3.18Å
14	E	38.2	Very low	35.3	Very low	10 Å²	10	55 Å²	55	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-43.5	-179.3	-68.7	171.8	-142.3	0	0	112.2	C11 P12 L18 W75 F142	C11-E14 WeakPolarHBondContact O-CB 3.49Å; C11-E14 PolarHBondContact O-N 2.9Å; P12-E14 PolarHBondContact O-N 3.15Å; E14-L18 WeakPolarHBondContact O-CB 3.4Å; E14-L18 PolarHBondContact O-N 2.67Å; E14-W75 HydrophobicContact CB-CH2 3.86Å; E14-W75 WeakPolarHBondContact OE2-CH2 3.44Å; E14-W75 WeakPolarHBondContact OE2-CZ2 3.45Å; E14-F142 VanDerWaalsContact CD-CE1 3.49Å; E14-F142 HydrophobicContact CG-CD1 4.33Å; E14-F142 HydrophobicContact CG-CD2 4.14Å; E14-F142 HydrophobicContact CG-CE1 3.78Å; E14-F142 HydrophobicContact CG-CE2 3.57Å; E14-F142 HydrophobicContact CG-CZ 3.38Å; E14-F142 WeakPolarHBondContact OE1-CZ 3.36Å
15	A	39.7	Very low	35.5	Very low	22 Å²	22	54.7 Å²	54.7	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-38.4	177.1	0	0	0	0	0	112	P12 I13 L19	P12-A15 PolarHBondContact O-N 3.1Å; I13-A15 PolarHBondContact O-N 3.01Å; A15-L19 WeakPolarHBondContact O-CB 3.46Å; A15-L19 WeakPolarHBondContact O-CD1 2.74Å; A15-L19 VanDerWaalsContact O-CG 3.23Å; A15-L19 WeakPolarHBondContact O-CG 3.49Å; A15-L19 PolarHBondContact O-N 2.82Å
16	I	39.4	Very low	35.7	Very low	29 Å²	29	54.2 Å²	54.2	15%	0.149	27%	0.274	C	S	.	.	H	α-helix	trans	-71.8	-37.1	178.8	-68.1	169.2	0	0	0	111.3	P12 I13 L19 A20 F36 P42	P12-I16 WeakPolarHBondContact O-CB 3.43Å; P12-I16 VanDerWaalsContact O-CG1 3.27Å; P12-I16 WeakPolarHBondContact O-CG1 3.41Å; P12-I16 PolarHBondContact O-N 3.46Å; I13-I16 PolarHBondContact O-N 2.91Å; I16-L19 PolarHBondContact O-N 3.32Å; I16-A20 WeakPolarHBondContact O-CB 3.36Å; I16-A20 PolarHBondContact O-N 2.03Å; I16-F36 HydrophobicContact CD1-CZ 4.49Å; I16-F36 HydrophobicContact CG1-CE1 4.39Å; I16-F36 HydrophobicContact CG1-CZ 4.04Å; I16-F36 HydrophobicContact CG2-CD1 4.4Å; I16-F36 HydrophobicContact CG2-CE1 3.68Å; I16-F36 HydrophobicContact CG2-CZ 4.15Å; I16-P42 HydrophobicContact CD1-CG 4.08Å
17	E	40.1	Very low	35.6	Very low	51 Å²	51	52.5 Å²	52.5	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-70.6	-37.4	175.3	-76.5	-167.1	152.3	0	0	112.6	I13 A20 R21	I13-E17 HydrophobicContact CG2-CG 4.07Å; I13-E17 WeakPolarHBondContact O-CB 2.99Å; I13-E17 WeakPolarHBondContact O-CG 3.21Å; I13-E17 PolarHBondContact O-N 3.18Å; E17-A20 PolarHBondContact O-N 3Å; E17-R21 PolarHBondContact O-N 2.8Å
18	L	41.4	Very low	35.3	Very low	42 Å²	42	54.5 Å²	54.5	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-58.9	-51.5	169.2	-95.3	154.6	0	0	0	110.8	E14 A20 R21 F22 M91	E14-L18 WeakPolarHBondContact O-CB 3.4Å; E14-L18 PolarHBondContact O-N 2.67Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-A20 PolarHBondContact O-N 3.42Å; L18-R21 PolarHBondContact O-N 3.41Å; L18-F22 HydrophobicContact CD2-CE2 4.47Å; L18-F22 WeakPolarHBondContact O-CD2 3.37Å; L18-M91 HydrophobicContact CD1-CG 4.18Å; L18-M91 HydrophobicContact CD2-CE 3.8Å; L18-M91 HydrophobicContact CD2-CG 3.74Å; L18-M91 HydrophobicContact CD2-SD 3.97Å
19	L	42.5	Very low	35.3	Very low	44 Å²	44	57.6 Å²	57.6	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-39.3	176.7	-71.7	167.7	0	0	0	111.9	A15 I16 R21 F22 V23 F36	A15-L19 WeakPolarHBondContact O-CB 3.46Å; A15-L19 WeakPolarHBondContact O-CD1 2.74Å; A15-L19 VanDerWaalsContact O-CG 3.23Å; A15-L19 WeakPolarHBondContact O-CG 3.49Å; A15-L19 PolarHBondContact O-N 2.82Å; I16-L19 PolarHBondContact O-N 3.32Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.11Å; L19-F22 PolarHBondContact O-N 2.76Å; L19-V23 VanDerWaalsContact O-CG2 3.28Å; L19-V23 WeakPolarHBondContact O-CG2 3.05Å; L19-F36 HydrophobicContact CD1-CE2 4.43Å
20	A	38.3	Very low	35.2	Very low	22 Å²	22	54.9 Å²	54.9	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-27.4	-178.4	0	0	0	0	0	114.5	I16 E17 L18 R159	I16-A20 WeakPolarHBondContact O-CB 3.36Å; I16-A20 PolarHBondContact O-N 2.03Å; E17-A20 PolarHBondContact O-N 3Å; L18-A20 VanDerWaalsContact C-N 3.32Å; L18-A20 PolarHBondContact O-N 3.42Å; A20-R159 PolarHBondContact O-NH1 2.97Å; A20-R159 PolarHBondContact O-NH2 3.01Å
21	R	35.4	Very low	35	Very low	78 Å²	78	63.5 Å²	63.5	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-71.3	-31.7	178.9	-85.2	170	136.2	160.1	-9	113.2	E17 L18 L19 V23 F143	E17-R21 PolarHBondContact O-N 2.8Å; L18-R21 PolarHBondContact O-N 3.41Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.11Å; R21-V23 PolarHBondContact O-N 3.19Å; R21-F143 HydrophobicContact CG-CE1 4.03Å; R21-F143 HydrophobicContact CG-CZ 4.38Å; R21-F143 VanDerWaalsContact NH2-CG 3.32Å
22	F	37.1	Very low	34.8	Very low	89 Å²	89	68.8 Å²	68.8	39%	0.39	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.1	178.9	-63.8	-78.8	0	0	0	113.4	L18 L19 F99	L18-F22 HydrophobicContact CD2-CE2 4.47Å; L18-F22 WeakPolarHBondContact O-CD2 3.37Å; L19-F22 PolarHBondContact O-N 2.76Å; F22-F99 HydrophobicContact CB-CZ 4.22Å; F22-F99 HydrophobicContact CG-CZ 4.32Å
23	V	34.8	Very low	34.5	Very low	30 Å²	30	68.7 Å²	68.7	18%	0.182	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-1.3	179.6	-178.2	0	0	0	0	111.2	L19 R21 P25 C34	L19-V23 VanDerWaalsContact O-CG2 3.28Å; L19-V23 WeakPolarHBondContact O-CG2 3.05Å; R21-V23 PolarHBondContact O-N 3.19Å; V23-P25 WeakPolarHBondContact O-CD 3.47Å; V23-C34 WeakPolarHBondContact CB-O 3.35Å; V23-C34 WeakPolarHBondContact CG1-O 3.29Å; V23-C34 WeakPolarHBondContact CG2-O 3.34Å
24	D	33.1	Very low	34.3	Very low	12 Å²	12	66.2 Å²	66.2	6%	0.064	35%	0.352	C	S	.	.			trans	-79.8	119.9	178.2	-163.3	-17.8	0	0	0	109.9	R26 Y27 A30 K155	D24-R26 PolarHBondContact O-N 3.41Å; D24-R26 WeakPolarHBondContact OD1-CG 3.41Å; D24-R26 PolarHBondContact OD1-N 3.47Å; D24-R26 IonicContact OD1-NE 3.86Å; D24-R26 PolarHBondContact OD1-NE 3.08Å; D24-R26 VanDerWaalsContact OD1-NE 3.08Å; D24-R26 IonicContact OD2-CZ 2.82Å; D24-R26 IonicContact OD2-NE 3.92Å; D24-R26 PolarHBondContact OD2-NE 2.92Å; D24-R26 IonicContact OD2-NH2 2.73Å; D24-Y27 HydrophobicContact CB-CD2 4.33Å; D24-Y27 PolarHBondContact O-N 3.38Å; D24-Y27 VanDerWaalsContact O-N 3.14Å; D24-A30 WeakPolarHBondContact O-CB 3.44Å; D24-K155 IonicContact OD2-NZ 2.88Å
25	P	29.6	Very low	34.1	Very low	107 Å²	107	68 Å²	68	70%	0.695	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-5.6	179	22.3	-32.7	0	0	0	114.3	V23 Y27	V23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-Y27 PolarHBondContact O-N 3.33Å
26	R	30.1	Very low	33.8	Very low	169 Å²	169	68.2 Å²	68.2	64%	0.638	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-4.9	173.4	-70.3	-177.2	-103.8	-148.6	-16.3	114.9	D24	D24-R26 PolarHBondContact O-N 3.41Å; D24-R26 WeakPolarHBondContact OD1-CG 3.41Å; D24-R26 PolarHBondContact OD1-N 3.47Å; D24-R26 IonicContact OD1-NE 3.86Å; D24-R26 PolarHBondContact OD1-NE 3.08Å; D24-R26 VanDerWaalsContact OD1-NE 3.08Å; D24-R26 IonicContact OD2-CZ 2.82Å; D24-R26 IonicContact OD2-NE 3.92Å; D24-R26 PolarHBondContact OD2-NE 2.92Å; D24-R26 IonicContact OD2-NH2 2.73Å
27	Y	26.8	Very low	33.4	Very low	119 Å²	119	68.9 Å²	68.9	47%	0.467	37%	0.37	S	S	.	.	S	Bend	trans	-103.9	134.6	172.6	-73.6	-83.6	0	0	0	109.8	D24 P25 A29 A30	D24-Y27 HydrophobicContact CB-CD2 4.33Å; D24-Y27 PolarHBondContact O-N 3.38Å; D24-Y27 VanDerWaalsContact O-N 3.14Å; P25-Y27 PolarHBondContact O-N 3.33Å; Y27-A29 PolarHBondContact O-N 3.14Å; Y27-A30 WeakPolarHBondContact O-CA 3.44Å; Y27-A30 WeakPolarHBondContact O-CB 3.47Å; Y27-A30 PolarHBondContact O-N 3.46Å
28	P	26.1	Very low	32.7	Very low	129 Å²	129	66.7 Å²	66.7	84%	0.838	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.2	-177.1	20.6	-30.3	0	0	0	114.3	A30	P28-A30 VanDerWaalsContact C-N 3.34Å
29	A	30	Very low	32.1	Very low	85 Å²	85	69 Å²	69	70%	0.702	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	0.4	171	0	0	0	0	0	114	Y27	Y27-A29 PolarHBondContact O-N 3.14Å
30	A	31.4	Very low	31.4	Very low	13 Å²	13	70.6 Å²	70.6	11%	0.107	38%	0.381	C	S	.	.			trans	-95.1	-3.8	-170	0	0	0	0	0	114.9	D24 Y27 P28 D32 A33	D24-A30 WeakPolarHBondContact O-CB 3.44Å; Y27-A30 WeakPolarHBondContact O-CA 3.44Å; Y27-A30 WeakPolarHBondContact O-CB 3.47Å; Y27-A30 PolarHBondContact O-N 3.46Å; P28-A30 VanDerWaalsContact C-N 3.34Å; A30-D32 PolarHBondContact O-N 3.31Å; A30-A33 HydrophobicContact CB-CB 4.01Å; A30-A33 WeakPolarHBondContact O-CB 3.27Å; A30-A33 PolarHBondContact O-N 3.07Å; A30-A33 VanDerWaalsContact O-N 3.15Å
31	E	31.8	Very low	30.9	Very low	185 Å²	185	73.5 Å²	73.5	86%	0.864	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.6	172.3	-64.5	-170.5	162.6	0	0	111.6
32	D	31	Very low	30.6	Very low	118 Å²	118	71 Å²	71	63%	0.631	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	12.1	175.2	-65	-45.3	0	0	0	114	A30	A30-D32 PolarHBondContact O-N 3.31Å
33	A	31.2	Very low	30.2	Very low	20 Å²	20	70 Å²	70	17%	0.165	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-80.8	150.8	-163.7	0	0	0	0	0	116.5	A30	A30-A33 HydrophobicContact CB-CB 4.01Å; A30-A33 WeakPolarHBondContact O-CB 3.27Å; A30-A33 PolarHBondContact O-N 3.07Å; A30-A33 VanDerWaalsContact O-N 3.15Å
34	C	33.4	Very low	29.9	Very low	16 Å²	16	76 Å²	76	11%	0.108	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.3	-179	-45.9	0	0	0	0	114.1	V23 F36 L50 R51 C52	V23-C34 WeakPolarHBondContact CB-O 3.35Å; V23-C34 WeakPolarHBondContact CG1-O 3.29Å; V23-C34 WeakPolarHBondContact CG2-O 3.34Å; C34-F36 PolarHBondContact O-N 3.44Å; C34-L50 HydrophobicContact CB-CD1 4.28Å; C34-L50 HydrophobicContact CB-CD2 4.06Å; C34-L50 HydrophobicContact CB-CG 3.91Å; C34-R51 CarbonylContact C-O 3.26Å; C34-R51 WeakPolarHBondContact CA-O 3.4Å; C34-C52 HydrophobicContact CB-CB 3.83Å; C34-C52 WeakPolarHBondContact CB-SG 3.16Å; C34-C52 VanDerWaalsContact SG-CA 3.59Å; C34-C52 WeakPolarHBondContact SG-CB 2.97Å; C34-C52 CovalentContact SG-SG 2.03Å; C34-C52 PolarHBondContact SG-SG 3.33Å
35	S	32.4	Very low	29.8	Very low	47 Å²	47	77.5 Å²	77.5	33%	0.329	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	128.3	168.2	60.2	0	0	0	0	112.4	R51	S35-R51 WeakPolarHBondContact CA-O 3.41Å; S35-R51 PolarHBondContact N-O 3.16Å; S35-R51 WeakPolarHBondContact O-CA 3.43Å; S35-R51 WeakPolarHBondContact O-CB 3.28Å; S35-R51 PolarHBondContact O-N 3.01Å; S35-R51 WeakPolarHBondContact OG-CB 3.09Å; S35-R51 PolarHBondContact OG-O 2.58Å; S35-R51 VanDerWaalsContact OG-O 3.14Å
36	F	34.2	Very low	29.9	Very low	28 Å²	28	77.7 Å²	77.7	12%	0.123	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.7	169.6	-175.5	-104.5	0	0	0	108.9	I16 L19 C34 G38 L50 L114	I16-F36 HydrophobicContact CD1-CZ 4.49Å; I16-F36 HydrophobicContact CG1-CE1 4.39Å; I16-F36 HydrophobicContact CG1-CZ 4.04Å; I16-F36 HydrophobicContact CG2-CD1 4.4Å; I16-F36 HydrophobicContact CG2-CE1 3.68Å; I16-F36 HydrophobicContact CG2-CZ 4.15Å; L19-F36 HydrophobicContact CD1-CE2 4.43Å; C34-F36 PolarHBondContact O-N 3.44Å; F36-G38 WeakPolarHBondContact CE1-O 3.38Å; F36-L50 HydrophobicContact CB-CD1 4.35Å; F36-L50 HydrophobicContact CD2-CD1 4Å; F36-L114 HydrophobicContact CE2-CD1 3.9Å; F36-L114 HydrophobicContact CZ-CD1 4.05Å
37	S	30	Very low	30.1	Very low	42 Å²	42	75.1 Å²	75.1	29%	0.294	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	84.4	173.1	48.5	0	0	0	0	108.4	F49	S37-F49 CarbonylContact C-O 3.41Å; S37-F49 PolarHBondContact N-O 2.93Å; S37-F49 PolarHBondContact O-N 2.98Å; S37-F49 VanDerWaalsContact OG-CD1 3.29Å; S37-F49 WeakPolarHBondContact OG-CD1 3.21Å; S37-F49 WeakPolarHBondContact OG-CD2 3.46Å; S37-F49 WeakPolarHBondContact OG-CE1 3.08Å; S37-F49 WeakPolarHBondContact OG-CE2 3.48Å; S37-F49 VanDerWaalsContact OG-CG 3.29Å; S37-F49 WeakPolarHBondContact OG-CG 3.39Å; S37-F49 WeakPolarHBondContact OG-CZ 3.21Å; S37-F49 PolarHBondContact OG-O 3.28Å; S37-F49 VanDerWaalsContact OG-O 3.1Å
38	G	27	Very low	30.5	Very low	5 Å²	5	70.2 Å²	70.2	5%	0.052	42%	0.418	C	S	.	.			trans	-177.4	35.7	-176.5	0	0	0	0	0	112.6	F36 L40	F36-G38 WeakPolarHBondContact CE1-O 3.38Å; G38-L40 VanDerWaalsContact C-N 3.31Å; G38-L40 PolarHBondContact O-N 3.01Å
39	L	27.4	Very low	31	Very low	91 Å²	91	66.2 Å²	66.2	48%	0.476	39%	0.387	S	S	.	.			trans	-76.3	84.1	173.4	-89.6	151.3	0	0	0	108.4
40	L	28.5	Very low	31.4	Very low	77 Å²	77	63.9 Å²	63.9	40%	0.403	36%	0.363	S	S	.	.	S	Bend	trans	-179	136.1	161.7	-97.4	155.6	0	0	0	107.8	G38 F178	G38-L40 VanDerWaalsContact C-N 3.31Å; G38-L40 PolarHBondContact O-N 3.01Å; L40-F178 HydrophobicContact CD2-CD1 4.29Å; L40-F178 HydrophobicContact CD2-CE1 3.21Å; L40-F178 HydrophobicContact CD2-CZ 3.4Å; L40-F178 HydrophobicContact CG-CZ 4.32Å
41	L	27.8	Very low	31.5	Very low	84 Å²	84	70.2 Å²	70.2	44%	0.44	38%	0.384	S	S	.	.			trans	-28	124.2	-176.9	-69.3	155.6	0	0	0	113.3	S43 N44	L41-S43 PolarHBondContact O-N 3.41Å; L41-N44 PolarHBondContact O-N 2.86Å; L41-N44 VanDerWaalsContact O-N 3.14Å
42	P	28.7	Very low	31.7	Very low	26 Å²	26	62.2 Å²	62.2	17%	0.169	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-52.1	-24.5	-176.5	-6.6	-2.4	0	0	0	113.9	P12 I16 N44 M116	P12-P42 HydrophobicContact CB-CB 4.17Å; P12-P42 HydrophobicContact CB-CG 3.04Å; P12-P42 HydrophobicContact CG-CB 4.39Å; P12-P42 HydrophobicContact CG-CG 3.53Å; I16-P42 HydrophobicContact CD1-CG 4.08Å; P42-N44 PolarHBondContact O-N 3.13Å; P42-M116 HydrophobicContact CB-CE 3.21Å; P42-M116 HydrophobicContact CB-SD 4.46Å; P42-M116 WeakPolarHBondContact O-CE 3.27Å
43	S	28.3	Very low	31.9	Very low	68 Å²	68	66 Å²	66	48%	0.476	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-61.3	-8	178.9	61.1	0	0	0	0	115.5	L41	L41-S43 PolarHBondContact O-N 3.41Å
44	N	29.2	Very low	31.9	Very low	156 Å²	156	73.7 Å²	73.7	83%	0.834	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-148.7	16.8	-175.7	-98.8	-18.3	0	0	0	116.1	L41 P42	L41-N44 PolarHBondContact O-N 2.86Å; L41-N44 VanDerWaalsContact O-N 3.14Å; P42-N44 PolarHBondContact O-N 3.13Å
45	N	30.4	Very low	31.7	Very low	42 Å²	42	74.3 Å²	74.3	23%	0.225	39%	0.393	C	S	.	.			trans	-131.8	85.5	-177.8	-161.7	-4	0	0	0	113.1	N47 A48	N45-N47 PolarHBondContact O-N 3.4Å; N45-N47 WeakPolarHBondContact OD1-CA 3.46Å; N45-N47 VanDerWaalsContact OD1-CB 3.24Å; N45-N47 WeakPolarHBondContact OD1-CB 3.15Å; N45-N47 PolarHBondContact OD1-N 2.9Å; N45-A48 PolarHBondContact O-N 3.36Å
46	S	32.8	Very low	31.4	Very low	112 Å²	112	82.2 Å²	82.2	78%	0.783	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-12.3	167.9	57.9	0	0	0	0	113.5
47	N	33.9	Very low	31.2	Very low	114 Å²	114	83.1 Å²	83.1	61%	0.61	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	16.8	-177.6	-51.8	-31	0	0	0	112.5	N45 F49	N45-N47 PolarHBondContact O-N 3.4Å; N45-N47 WeakPolarHBondContact OD1-CA 3.46Å; N45-N47 VanDerWaalsContact OD1-CB 3.24Å; N45-N47 WeakPolarHBondContact OD1-CB 3.15Å; N45-N47 PolarHBondContact OD1-N 2.9Å; N47-F49 VanDerWaalsContact O-CD1 3.24Å; N47-F49 WeakPolarHBondContact O-CD1 3.25Å; N47-F49 PolarHBondContact O-N 2.97Å
48	A	36.2	Very low	31.2	Very low	17 Å²	17	85.3 Å²	85.3	14%	0.14	45%	0.452	C	S	.	.			trans	-73.3	120	170.4	0	0	0	0	0	110.3	N45	N45-A48 PolarHBondContact O-N 3.36Å
49	F	36.5	Very low	31.3	Very low	45 Å²	45	87.9 Å²	87.9	20%	0.197	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	150.1	176.1	64.2	-83.4	0	0	0	112.4	S37 N47 R51 R111	S37-F49 CarbonylContact C-O 3.41Å; S37-F49 PolarHBondContact N-O 2.93Å; S37-F49 PolarHBondContact O-N 2.98Å; S37-F49 VanDerWaalsContact OG-CD1 3.29Å; S37-F49 WeakPolarHBondContact OG-CD1 3.21Å; S37-F49 WeakPolarHBondContact OG-CD2 3.46Å; S37-F49 WeakPolarHBondContact OG-CE1 3.08Å; S37-F49 WeakPolarHBondContact OG-CE2 3.48Å; S37-F49 VanDerWaalsContact OG-CG 3.29Å; S37-F49 WeakPolarHBondContact OG-CG 3.39Å; S37-F49 WeakPolarHBondContact OG-CZ 3.21Å; S37-F49 PolarHBondContact OG-O 3.28Å; S37-F49 VanDerWaalsContact OG-O 3.1Å; N47-F49 VanDerWaalsContact O-CD1 3.24Å; N47-F49 WeakPolarHBondContact O-CD1 3.25Å; N47-F49 PolarHBondContact O-N 2.97Å; F49-R51 HydrophobicContact CD2-CB 3.99Å; F49-R51 HydrophobicContact CE2-CB 3.86Å; F49-R51 HydrophobicContact CE2-CG 4.41Å; F49-R111 HydrophobicContact CB-CB 4.16Å; F49-R111 HydrophobicContact CB-CG 4.3Å; F49-R111 HydrophobicContact CD2-CG 3.88Å; F49-R111 HydrophobicContact CE2-CG 4.43Å; F49-R111 HydrophobicContact CG-CG 4.17Å
50	L	37.3	Very low	31.5	Very low	36 Å²	36	85.5 Å²	85.5	19%	0.188	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	136.2	164.5	-164.6	85.8	0	0	0	108.6	C34 F36 F110 I112	C34-L50 HydrophobicContact CB-CD1 4.28Å; C34-L50 HydrophobicContact CB-CD2 4.06Å; C34-L50 HydrophobicContact CB-CG 3.91Å; F36-L50 HydrophobicContact CB-CD1 4.35Å; F36-L50 HydrophobicContact CD2-CD1 4Å; L50-F110 VanDerWaalsContact O-O 3.09Å; L50-I112 HydrophobicContact CD2-CD1 4.21Å
51	R	34.7	Very low	31.9	Very low	145 Å²	145	86.4 Å²	86.4	55%	0.547	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	112.9	-179.1	179.2	-178.2	-174.5	171.1	2.1	110.6	C34 S35 F49	C34-R51 CarbonylContact C-O 3.26Å; C34-R51 WeakPolarHBondContact CA-O 3.4Å; S35-R51 WeakPolarHBondContact CA-O 3.41Å; S35-R51 PolarHBondContact N-O 3.16Å; S35-R51 WeakPolarHBondContact O-CA 3.43Å; S35-R51 WeakPolarHBondContact O-CB 3.28Å; S35-R51 PolarHBondContact O-N 3.01Å; S35-R51 WeakPolarHBondContact OG-CB 3.09Å; S35-R51 PolarHBondContact OG-O 2.58Å; S35-R51 VanDerWaalsContact OG-O 3.14Å; F49-R51 HydrophobicContact CD2-CB 3.99Å; F49-R51 HydrophobicContact CE2-CB 3.86Å; F49-R51 HydrophobicContact CE2-CG 4.41Å
52	C	36.1	Very low	32.3	Very low	18 Å²	18	86.4 Å²	86.4	12%	0.122	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.4	177.4	-54.6	0	0	0	0	112.9	C34	C34-C52 HydrophobicContact CB-CB 3.83Å; C34-C52 WeakPolarHBondContact CB-SG 3.16Å; C34-C52 VanDerWaalsContact SG-CA 3.59Å; C34-C52 WeakPolarHBondContact SG-CB 2.97Å; C34-C52 CovalentContact SG-SG 2.03Å; C34-C52 PolarHBondContact SG-SG 3.33Å
53	R	33.8	Very low	33	Very low	198 Å²	198	94.2 Å²	94.2	75%	0.747	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-83.7	153.2	168.8	-88.5	-171.3	175.1	-175.5	-0.6	109.9
54	F	31.2	Very low	33.7	Very low	180 Å²	180	94.3 Å²	94.3	79%	0.789	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-74.6	125.1	-169.2	-99.5	-87.7	0	0	0	113.7	N109	F54-N109 WeakPolarHBondContact CE2-ND2 3.09Å; F54-N109 WeakPolarHBondContact CZ-ND2 3.35Å
55	G	29.4	Very low	34.2	Very low	30 Å²	30	88.4 Å²	88.4	31%	0.309	46%	0.455	S	S	.	.			trans	-138	150.8	155.3	0	0	0	0	0	107.9
56	K	27.2	Very low	34.8	Very low	213 Å²	213	91.1 Å²	91.1	93%	0.926	47%	0.47	S	S	*	.	S	Bend	trans	-58.4	134.2	-160.9	-66	175.1	176.7	177	0	116.1
57	G	29.4	Very low	35.5	Very low	46 Å²	46	87.7 Å²	87.7	47%	0.474	45%	0.448	S	S	.	.	S	Bend	trans	80.8	158.3	157.3	0	0	0	0	0	116.2	G106 A107	G57-G106 CarbonylContact O-C 2.74Å; G57-G106 WeakPolarHBondContact O-CA 3.25Å; G57-A107 PolarHBondContact O-N 3.08Å
58	P	29.5	Very low	36	Very low	89 Å²	89	83.9 Å²	83.9	58%	0.578	43%	0.427	S	S	*	.			trans	-120.3	146.9	-148.4	38.2	-24.8	0	0	0	117.4	G106	P58-G106 CarbonylContact C-O 3.58Å; P58-G106 VanDerWaalsContact C-O 3.26Å; P58-G106 WeakPolarHBondContact CA-O 3.21Å
59	S	28.6	Very low	36.4	Very low	58 Å²	58	84.6 Å²	84.6	41%	0.406	43%	0.432	S	S	.	.				159.6	121.5	108.9	65.8	0	0	0	0	113.1	G106	S59-G106 PolarHBondContact N-O 2.97Å
60	I	32.4	Very low	37	Very low	41 Å²	41	84.6 Å²	84.6	21%	0.21	44%	0.437	C	S	.	.			trans	-113.1	125	162.7	-64.3	151.8	0	0	0	106.3	D64 V65	I60-D64 HydrophobicContact CG2-CB 4.08Å; I60-V65 HydrophobicContact CG2-CG2 4.31Å
61	N	35.9	Very low	37.4	Very low	96 Å²	96	84.8 Å²	84.8	51%	0.513	44%	0.44	S	S	.	.			trans	-71.3	141	-173.9	-163.9	-34.6	0	0	0	109.9	R63 D64 V65	N61-R63 HydrophobicContact CB-CB 4.13Å; N61-R63 PolarHBondContact O-N 3.07Å; N61-R63 WeakPolarHBondContact OD1-CB 3.31Å; N61-R63 PolarHBondContact OD1-N 2.59Å; N61-D64 WeakPolarHBondContact CB-OD2 3.36Å; N61-D64 PolarHBondContact N-OD2 3.12Å; N61-D64 WeakPolarHBondContact O-CB 3.28Å; N61-D64 PolarHBondContact O-N 3.43Å; N61-V65 PolarHBondContact O-N 3.35Å
62	V	37.8	Very low	38	Very low	84 Å²	84	80.1 Å²	80.1	51%	0.509	43%	0.428	S	S	.	.	H	α-helix	trans	-51.7	-29.4	168.1	172.6	0	0	0	0	110.7	D64 V65 N66	V62-D64 VanDerWaalsContact C-N 3.35Å; V62-D64 PolarHBondContact O-N 3.49Å; V62-V65 PolarHBondContact O-N 2.76Å; V62-N66 WeakPolarHBondContact O-CB 3.27Å; V62-N66 PolarHBondContact O-N 3.24Å; V62-N66 PolarHBondContact O-ND2 3.46Å
63	R	43	Very low	38.5	Very low	191 Å²	191	82.6 Å²	82.6	72%	0.721	44%	0.439	S	S	*	.	H	α-helix	trans	-57.8	-41.8	172	-160.8	-179.8	-155.4	-178.5	5.9	113.1	N61 N66 A67	N61-R63 HydrophobicContact CB-CB 4.13Å; N61-R63 PolarHBondContact O-N 3.07Å; N61-R63 WeakPolarHBondContact OD1-CB 3.31Å; N61-R63 PolarHBondContact OD1-N 2.59Å; R63-N66 PolarHBondContact O-N 3Å; R63-A67 VanDerWaalsContact O-CB 3.3Å; R63-A67 WeakPolarHBondContact O-CB 3.43Å; R63-A67 PolarHBondContact O-N 3.47Å
64	D	42	Very low	39.2	Very low	69 Å²	69	79.1 Å²	79.1	37%	0.369	43%	0.429	S	S	.	.	H	α-helix	trans	-73	-36.3	-177.9	-54.7	-35.3	0	0	0	110.9	I60 N61 V62 A67 L68	I60-D64 HydrophobicContact CG2-CB 4.08Å; N61-D64 WeakPolarHBondContact CB-OD2 3.36Å; N61-D64 PolarHBondContact N-OD2 3.12Å; N61-D64 WeakPolarHBondContact O-CB 3.28Å; N61-D64 PolarHBondContact O-N 3.43Å; V62-D64 VanDerWaalsContact C-N 3.35Å; V62-D64 PolarHBondContact O-N 3.49Å; D64-A67 PolarHBondContact O-N 3.42Å; D64-L68 WeakPolarHBondContact O-CB 3.49Å; D64-L68 PolarHBondContact O-N 3.48Å
65	V	39.9	Very low	39.9	Very low	32 Å²	32	72 Å²	72	19%	0.194	40%	0.397	C	S	.	.	H	α-helix	trans	-65.6	-45	173.9	178.6	0	0	0	0	111.1	I60 N61 V62 A67 L68 S69 I112	I60-V65 HydrophobicContact CG2-CG2 4.31Å; N61-V65 PolarHBondContact O-N 3.35Å; V62-V65 PolarHBondContact O-N 2.76Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-L68 PolarHBondContact O-N 2.82Å; V65-S69 WeakPolarHBondContact O-CB 3.39Å; V65-S69 PolarHBondContact O-N 3.1Å; V65-I112 HydrophobicContact CG1-CB 4.31Å; V65-I112 HydrophobicContact CG1-CD1 4.21Å; V65-I112 HydrophobicContact CG1-CG1 3.94Å; V65-I112 HydrophobicContact CG1-CG2 3.56Å; V65-I112 HydrophobicContact CG2-CD1 3.91Å; V65-I112 HydrophobicContact CG2-CG1 4.14Å
66	N	43.7	Very low	40.4	Very low	100 Å²	100	71.1 Å²	71.1	54%	0.535	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-37.9	174.3	-75.6	-21.9	0	0	0	111.7	V62 R63 S70	V62-N66 WeakPolarHBondContact O-CB 3.27Å; V62-N66 PolarHBondContact O-N 3.24Å; V62-N66 PolarHBondContact O-ND2 3.46Å; R63-N66 PolarHBondContact O-N 3Å; N66-S70 VanDerWaalsContact O-CB 3.23Å; N66-S70 WeakPolarHBondContact O-CB 2.89Å; N66-S70 PolarHBondContact O-N 3.07Å; N66-S70 PolarHBondContact O-OG 3.15Å
67	A	46.4	Very low	41.1	Very low	39 Å²	39	64.1 Å²	64.1	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-62.5	-46.2	175.1	0	0	0	0	0	110.9	R63 D64 V65 S70 T71	R63-A67 VanDerWaalsContact O-CB 3.3Å; R63-A67 WeakPolarHBondContact O-CB 3.43Å; R63-A67 PolarHBondContact O-N 3.47Å; D64-A67 PolarHBondContact O-N 3.42Å; V65-A67 VanDerWaalsContact C-N 3.33Å; A67-S70 PolarHBondContact O-N 3.47Å; A67-S70 PolarHBondContact O-OG 2.95Å; A67-T71 VanDerWaalsContact O-CB 3.28Å; A67-T71 WeakPolarHBondContact O-CB 3.22Å; A67-T71 PolarHBondContact O-N 2.69Å; A67-T71 PolarHBondContact O-OG1 3.45Å
68	L	45.6	Very low	41.8	Very low	34 Å²	34	68.2 Å²	68.2	18%	0.178	37%	0.366	C	S	.	.	H	α-helix	trans	-62	-49.6	177.5	-166.2	117.7	0	0	0	111.6	D64 V65 S70 T71 V72 I94 V98	D64-L68 WeakPolarHBondContact O-CB 3.49Å; D64-L68 PolarHBondContact O-N 3.48Å; V65-L68 PolarHBondContact O-N 2.82Å; L68-S70 PolarHBondContact O-N 2.85Å; L68-T71 PolarHBondContact O-N 3.39Å; L68-V72 WeakPolarHBondContact O-CG2 3.36Å; L68-V72 PolarHBondContact O-N 2.82Å; L68-I94 HydrophobicContact CD1-CG1 4.24Å; L68-V98 HydrophobicContact CD1-CG2 3.46Å; L68-V98 VanDerWaalsContact CD1-CG2 3.46Å
69	S	44.3	Very low	42.6	Very low	33 Å²	33	68.8 Å²	68.8	23%	0.231	37%	0.369	C	S	.	.	H	α-helix	trans	-57.4	-47.6	175.4	-175.5	0	0	0	0	111.5	V65 T71 V72 L73	V65-S69 WeakPolarHBondContact O-CB 3.39Å; V65-S69 PolarHBondContact O-N 3.1Å; S69-T71 VanDerWaalsContact C-N 3.3Å; S69-T71 PolarHBondContact O-N 3.09Å; S69-V72 PolarHBondContact O-N 3.37Å; S69-L73 WeakPolarHBondContact O-CB 3.4Å; S69-L73 VanDerWaalsContact O-CG 3.3Å; S69-L73 WeakPolarHBondContact O-CG 3.08Å; S69-L73 PolarHBondContact O-N 3.49Å
70	S	48.1	Very low	43.3	Very low	45 Å²	45	68.9 Å²	68.9	32%	0.315	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-32.9	178	84	0	0	0	0	112.9	N66 A67 L68 K74	N66-S70 VanDerWaalsContact O-CB 3.23Å; N66-S70 WeakPolarHBondContact O-CB 2.89Å; N66-S70 PolarHBondContact O-N 3.07Å; N66-S70 PolarHBondContact O-OG 3.15Å; A67-S70 PolarHBondContact O-N 3.47Å; A67-S70 PolarHBondContact O-OG 2.95Å; L68-S70 PolarHBondContact O-N 2.85Å; S70-K74 WeakPolarHBondContact O-CB 3.18Å; S70-K74 WeakPolarHBondContact O-CG 3.5Å; S70-K74 PolarHBondContact O-N 3.04Å
71	T	47.4	Very low	43.9	Very low	39 Å²	39	75.1 Å²	75.1	24%	0.239	40%	0.404	C	S	.	.	H	α-helix	trans	-72.3	-44.2	179.5	-60.5	0	0	0	0	109.9	A67 L68 S69 L73 K74 W75	A67-T71 VanDerWaalsContact O-CB 3.28Å; A67-T71 WeakPolarHBondContact O-CB 3.22Å; A67-T71 PolarHBondContact O-N 2.69Å; A67-T71 PolarHBondContact O-OG1 3.45Å; L68-T71 PolarHBondContact O-N 3.39Å; S69-T71 VanDerWaalsContact C-N 3.3Å; S69-T71 PolarHBondContact O-N 3.09Å; T71-L73 VanDerWaalsContact C-N 3.34Å; T71-K74 PolarHBondContact O-N 2.86Å; T71-W75 WeakPolarHBondContact O-CB 3.37Å; T71-W75 PolarHBondContact O-N 2.06Å
72	V	47.2	Very low	44.1	Very low	48 Å²	48	75.4 Å²	75.4	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-42.4	174	173.9	0	0	0	0	110.8	L68 S69 W75 S76	L68-V72 WeakPolarHBondContact O-CG2 3.36Å; L68-V72 PolarHBondContact O-N 2.82Å; S69-V72 PolarHBondContact O-N 3.37Å; V72-W75 PolarHBondContact O-N 3.23Å; V72-S76 WeakPolarHBondContact O-CB 3.13Å; V72-S76 PolarHBondContact O-N 2.98Å; V72-S76 PolarHBondContact O-OG 2.93Å
73	L	45.7	Very low	44.4	Very low	69 Å²	69	72.7 Å²	72.7	36%	0.361	39%	0.388	S	S	.	.	H	α-helix	trans	-67.7	-41.1	176.1	-73.7	168.4	0	0	0	113	S69 T71 W75 S76 S77	S69-L73 WeakPolarHBondContact O-CB 3.4Å; S69-L73 VanDerWaalsContact O-CG 3.3Å; S69-L73 WeakPolarHBondContact O-CG 3.08Å; S69-L73 PolarHBondContact O-N 3.49Å; T71-L73 VanDerWaalsContact C-N 3.34Å; L73-W75 VanDerWaalsContact C-N 3.28Å; L73-W75 PolarHBondContact O-N 3.42Å; L73-S76 WeakPolarHBondContact CA-OG 3.32Å; L73-S76 PolarHBondContact O-N 2.82Å; L73-S76 PolarHBondContact O-OG 3.35Å; L73-S76 VanDerWaalsContact O-OG 3.1Å; L73-S77 WeakPolarHBondContact O-CB 3.39Å; L73-S77 PolarHBondContact O-N 3.31Å; L73-S77 VanDerWaalsContact O-N 3.09Å; L73-S77 PolarHBondContact O-OG 2.81Å
74	K	49.1	Very low	44.1	Very low	126 Å²	126	67.5 Å²	67.5	55%	0.548	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-32.6	174	-80.5	175.5	-179.4	175.6	0	112	S70 T71 S77 R78	S70-K74 WeakPolarHBondContact O-CB 3.18Å; S70-K74 WeakPolarHBondContact O-CG 3.5Å; S70-K74 PolarHBondContact O-N 3.04Å; T71-K74 PolarHBondContact O-N 2.86Å; K74-S77 WeakPolarHBondContact CA-OG 2.95Å; K74-S77 PolarHBondContact O-OG 2.99Å; K74-R78 VanDerWaalsContact O-CG 3.28Å; K74-R78 WeakPolarHBondContact O-CG 3.38Å
75	W	44.6	Very low	43.8	Very low	29 Å²	29	68.1 Å²	68.1	11%	0.11	39%	0.392	C	S	.	.	H	α-helix	trans	-72.3	-43.7	176.4	178	72.1	0	0	0	110.8	V10 E14 T71 V72 L73 S77 R78 N87	V10-W75 HydrophobicContact CG1-CD2 4.38Å; V10-W75 HydrophobicContact CG1-CE3 3.85Å; V10-W75 HydrophobicContact CG1-CH2 3.28Å; V10-W75 HydrophobicContact CG1-CZ2 3.85Å; V10-W75 HydrophobicContact CG1-CZ3 3.28Å; E14-W75 HydrophobicContact CB-CH2 3.86Å; E14-W75 WeakPolarHBondContact OE2-CH2 3.44Å; E14-W75 WeakPolarHBondContact OE2-CZ2 3.45Å; T71-W75 WeakPolarHBondContact O-CB 3.37Å; T71-W75 PolarHBondContact O-N 2.06Å; V72-W75 PolarHBondContact O-N 3.23Å; L73-W75 VanDerWaalsContact C-N 3.28Å; L73-W75 PolarHBondContact O-N 3.42Å; W75-S77 VanDerWaalsContact C-N 3.31Å; W75-S77 PolarHBondContact O-N 2.66Å; W75-R78 PolarHBondContact O-N 3.38Å; W75-N87 WeakPolarHBondContact CZ2-OD1 3.07Å; W75-N87 PolarHBondContact NE1-OD1 3.25Å
76	S	41.4	Very low	43.8	Very low	13 Å²	13	68.6 Å²	68.6	9%	0.091	39%	0.392	C	S	.	.	H	α-helix	trans	-72.4	-20.8	-179.7	70.9	0	0	0	0	114.5	V72 L73	V72-S76 WeakPolarHBondContact O-CB 3.13Å; V72-S76 PolarHBondContact O-N 2.98Å; V72-S76 PolarHBondContact O-OG 2.93Å; L73-S76 WeakPolarHBondContact CA-OG 3.32Å; L73-S76 PolarHBondContact O-N 2.82Å; L73-S76 PolarHBondContact O-OG 3.35Å; L73-S76 VanDerWaalsContact O-OG 3.1Å
77	S	40.3	Very low	43.7	Very low	65 Å²	65	65.5 Å²	65.5	46%	0.455	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.8	179.6	52.1	0	0	0	0	114.6	L73 K74 W75	L73-S77 WeakPolarHBondContact O-CB 3.39Å; L73-S77 PolarHBondContact O-N 3.31Å; L73-S77 VanDerWaalsContact O-N 3.09Å; L73-S77 PolarHBondContact O-OG 2.81Å; K74-S77 WeakPolarHBondContact CA-OG 2.95Å; K74-S77 PolarHBondContact O-OG 2.99Å; W75-S77 VanDerWaalsContact C-N 3.31Å; W75-S77 PolarHBondContact O-N 2.66Å
78	R	45.9	Very low	43.4	Very low	133 Å²	133	72.4 Å²	72.4	50%	0.502	39%	0.393	S	S	.	.	S	Bend	trans	-86.1	133.8	-179	-83.2	174.7	-176.7	-151	-0.4	111.7	K74 W75 Q86	K74-R78 VanDerWaalsContact O-CG 3.28Å; K74-R78 WeakPolarHBondContact O-CG 3.38Å; W75-R78 PolarHBondContact O-N 3.38Å; R78-Q86 VanDerWaalsContact CD-OE1 3.31Å
79	P	45	Very low	43.2	Very low	100 Å²	100	79 Å²	79	65%	0.649	42%	0.415	S	S	*	.			trans	-56.6	142.2	172.2	-20.9	30.6	0	0	0	111.4	M81	P79-M81 PolarHBondContact O-N 3.27Å
80	A	44	Very low	43.3	Very low	60 Å²	60	78.1 Å²	78.1	50%	0.496	41%	0.41	S	S	.	.	S	Bend	trans	-54.7	-1.2	-168.3	0	0	0	0	0	117.9	N82 L83	A80-N82 PolarHBondContact O-N 3.36Å; A80-L83 HydrophobicContact CB-CD1 3.82Å; A80-L83 WeakPolarHBondContact O-CD1 3.49Å; A80-L83 WeakPolarHBondContact O-CG 3.43Å
81	M	43.8	Very low	43	Very low	172 Å²	172	79.4 Å²	79.4	85%	0.847	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	2.2	-165.2	-83.7	-173.9	163.7	0	0	116.6	P79	P79-M81 PolarHBondContact O-N 3.27Å
82	N	41.7	Very low	42.8	Very low	103 Å²	103	82.2 Å²	82.2	55%	0.551	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.9	34.7	178.6	-89.4	-46.1	0	0	0	113.9	A80 A84 V85 Q86	A80-N82 PolarHBondContact O-N 3.36Å; N82-A84 PolarHBondContact O-N 2.81Å; N82-V85 PolarHBondContact O-N 3.43Å; N82-Q86 HydrophobicContact CB-CG 4.29Å; N82-Q86 WeakPolarHBondContact O-CG 3.5Å; N82-Q86 PolarHBondContact O-N 2.9Å; N82-Q86 VanDerWaalsContact O-N 3.12Å
83	L	44.4	Very low	42.7	Very low	27 Å²	27	82.3 Å²	82.3	14%	0.141	42%	0.423	C	S	.	.	H	α-helix	trans	-53.4	-43.7	-168.8	-79.2	155.9	0	0	0	114.1	A80 V85 Q86 N87	A80-L83 HydrophobicContact CB-CD1 3.82Å; A80-L83 WeakPolarHBondContact O-CD1 3.49Å; A80-L83 WeakPolarHBondContact O-CG 3.43Å; L83-V85 PolarHBondContact O-N 3.28Å; L83-Q86 PolarHBondContact O-N 3.42Å; L83-N87 WeakPolarHBondContact O-CB 3.48Å; L83-N87 PolarHBondContact O-N 2.97Å; L83-N87 PolarHBondContact O-ND2 3.23Å; L83-N87 PolarHBondContact O-OD1 2.67Å
84	A	34.7	Very low	42.7	Very low	81 Å²	81	80.7 Å²	80.7	67%	0.669	42%	0.415	S	S	*	.	H	α-helix	trans	-65.5	-44.1	-176.6	0	0	0	0	0	114.1	N82 R88	N82-A84 PolarHBondContact O-N 2.81Å; A84-R88 WeakPolarHBondContact O-CB 3.48Å; A84-R88 PolarHBondContact O-N 2.98Å; A84-R88 VanDerWaalsContact O-N 3.1Å
85	V	36.8	Very low	42.2	Very low	82 Å²	82	77.7 Å²	77.7	50%	0.497	40%	0.404	S	S	.	.	H	α-helix	trans	-71.8	-37.4	179.4	177.9	0	0	0	0	110.6	N82 L83 R88 R89	N82-V85 PolarHBondContact O-N 3.43Å; L83-V85 PolarHBondContact O-N 3.28Å; V85-R88 PolarHBondContact O-N 3.14Å; V85-R89 WeakPolarHBondContact O-CG 3.22Å; V85-R89 PolarHBondContact O-N 2.8Å
86	Q	40	Very low	42	Very low	42 Å²	42	80.6 Å²	80.6	20%	0.196	42%	0.419	C	S	.	.	H	α-helix	trans	-70.6	-38.5	177.9	-67.9	-174	12.9	0	0	111.9	R78 N82 L83 R88 R89 A90	R78-Q86 VanDerWaalsContact CD-OE1 3.31Å; N82-Q86 HydrophobicContact CB-CG 4.29Å; N82-Q86 WeakPolarHBondContact O-CG 3.5Å; N82-Q86 PolarHBondContact O-N 2.9Å; N82-Q86 VanDerWaalsContact O-N 3.12Å; L83-Q86 PolarHBondContact O-N 3.42Å; Q86-R88 VanDerWaalsContact C-N 3.35Å; Q86-R89 PolarHBondContact O-N 2.97Å; Q86-A90 VanDerWaalsContact O-CB 3.32Å; Q86-A90 WeakPolarHBondContact O-CB 3.49Å; Q86-A90 PolarHBondContact O-N 3.1Å
87	N	42.3	Very low	42.1	Very low	36 Å²	36	85.3 Å²	85.3	19%	0.193	44%	0.439	C	S	.	.	H	α-helix	trans	-61.3	-44.6	172.9	-69.6	3.6	0	0	0	110.7	W75 L83 A90 M91	W75-N87 WeakPolarHBondContact CZ2-OD1 3.07Å; W75-N87 PolarHBondContact NE1-OD1 3.25Å; L83-N87 WeakPolarHBondContact O-CB 3.48Å; L83-N87 PolarHBondContact O-N 2.97Å; L83-N87 PolarHBondContact O-ND2 3.23Å; L83-N87 PolarHBondContact O-OD1 2.67Å; N87-A90 PolarHBondContact O-N 3.36Å; N87-M91 VanDerWaalsContact O-CB 3.29Å; N87-M91 WeakPolarHBondContact O-CB 3.45Å; N87-M91 VanDerWaalsContact O-CG 3.23Å; N87-M91 WeakPolarHBondContact O-CG 3.32Å; N87-M91 PolarHBondContact O-N 3.08Å
88	R	39.2	Very low	42.2	Very low	184 Å²	184	83.4 Å²	83.4	69%	0.694	43%	0.425	S	S	*	.	H	α-helix	trans	-65.2	-41.1	178.5	-153.4	177.9	-157.9	166.3	4.9	112.3	A84 V85 Q86 Q92	A84-R88 WeakPolarHBondContact O-CB 3.48Å; A84-R88 PolarHBondContact O-N 2.98Å; A84-R88 VanDerWaalsContact O-N 3.1Å; V85-R88 PolarHBondContact O-N 3.14Å; Q86-R88 VanDerWaalsContact C-N 3.35Å; R88-Q92 WeakPolarHBondContact O-CB 3.16Å; R88-Q92 WeakPolarHBondContact O-CG 3.2Å; R88-Q92 PolarHBondContact O-N 2.89Å
89	R	42.4	Very low	41.7	Very low	172 Å²	172	81.2 Å²	81.2	65%	0.649	42%	0.419	S	S	*	.	H	α-helix	trans	-67.8	-44.6	175.5	-78	-174.1	-177	-175.6	2.2	112.3	V85 Q86 M91 Q92 T93	V85-R89 WeakPolarHBondContact O-CG 3.22Å; V85-R89 PolarHBondContact O-N 2.8Å; Q86-R89 PolarHBondContact O-N 2.97Å; R89-M91 VanDerWaalsContact C-N 3.34Å; R89-M91 PolarHBondContact O-N 3.35Å; R89-Q92 PolarHBondContact O-N 3.39Å; R89-T93 WeakPolarHBondContact O-CB 3.5Å; R89-T93 PolarHBondContact O-N 3.4Å; R89-T93 PolarHBondContact O-OG1 3.4Å
90	A	44.5	Very low	41.2	Very low	15 Å²	15	83.8 Å²	83.8	12%	0.124	42%	0.42	C	S	.	.	H	α-helix	trans	-62.3	-42.9	176.3	0	0	0	0	0	111.1	Q86 N87 T93 I94	Q86-A90 VanDerWaalsContact O-CB 3.32Å; Q86-A90 WeakPolarHBondContact O-CB 3.49Å; Q86-A90 PolarHBondContact O-N 3.1Å; N87-A90 PolarHBondContact O-N 3.36Å; A90-T93 PolarHBondContact O-N 2.8Å; A90-I94 WeakPolarHBondContact O-CB 3.39Å; A90-I94 WeakPolarHBondContact O-CD1 3.45Å; A90-I94 WeakPolarHBondContact O-CG1 3.42Å; A90-I94 PolarHBondContact O-N 3.27Å
91	M	42.6	Very low	40.8	Very low	71 Å²	71	85.6 Å²	85.6	35%	0.35	43%	0.425	S	S	.	.	H	α-helix	trans	-59.8	-45.8	171.4	-76.4	179.9	69.6	0	0	112.1	L18 N87 R89 I94 I95	L18-M91 HydrophobicContact CD1-CG 4.18Å; L18-M91 HydrophobicContact CD2-CE 3.8Å; L18-M91 HydrophobicContact CD2-CG 3.74Å; L18-M91 HydrophobicContact CD2-SD 3.97Å; N87-M91 VanDerWaalsContact O-CB 3.29Å; N87-M91 WeakPolarHBondContact O-CB 3.45Å; N87-M91 VanDerWaalsContact O-CG 3.23Å; N87-M91 WeakPolarHBondContact O-CG 3.32Å; N87-M91 PolarHBondContact O-N 3.08Å; R89-M91 VanDerWaalsContact C-N 3.34Å; R89-M91 PolarHBondContact O-N 3.35Å; M91-I94 PolarHBondContact O-N 2.84Å; M91-I95 WeakPolarHBondContact O-CB 3.46Å; M91-I95 WeakPolarHBondContact O-CD1 3.2Å; M91-I95 WeakPolarHBondContact O-CG1 3.34Å; M91-I95 PolarHBondContact O-N 2.73Å
92	Q	42.8	Very low	40.3	Very low	98 Å²	98	81.9 Å²	81.9	46%	0.458	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-43.6	176.3	-82.9	176.8	-32.1	0	0	111.8	R88 R89 I95 E96	R88-Q92 WeakPolarHBondContact O-CB 3.16Å; R88-Q92 WeakPolarHBondContact O-CG 3.2Å; R88-Q92 PolarHBondContact O-N 2.89Å; R89-Q92 PolarHBondContact O-N 3.39Å; Q92-I95 PolarHBondContact O-N 3.24Å; Q92-E96 VanDerWaalsContact O-CB 3.24Å; Q92-E96 WeakPolarHBondContact O-CB 3.48Å; Q92-E96 VanDerWaalsContact O-CG 3.28Å; Q92-E96 WeakPolarHBondContact O-CG 3.28Å; Q92-E96 PolarHBondContact O-N 2.76Å
93	T	46.3	Very low	39.9	Very low	50 Å²	50	81 Å²	81	31%	0.307	41%	0.409	S	S	.	.	H	α-helix	trans	-64.6	-41.9	176.6	-56	0	0	0	0	111.4	R89 A90 E96 H97	R89-T93 WeakPolarHBondContact O-CB 3.5Å; R89-T93 PolarHBondContact O-N 3.4Å; R89-T93 PolarHBondContact O-OG1 3.4Å; A90-T93 PolarHBondContact O-N 2.8Å; T93-E96 PolarHBondContact O-N 3.08Å; T93-H97 VanDerWaalsContact O-CB 3.25Å; T93-H97 WeakPolarHBondContact O-CB 3.29Å; T93-H97 PolarHBondContact O-N 2.81Å
94	I	44.4	Very low	39.3	Very low	35 Å²	35	86.8 Å²	86.8	18%	0.179	44%	0.44	C	S	.	.	H	α-helix	trans	-61.3	-45.8	173.7	-68.8	163.8	0	0	0	109.7	L68 A90 M91 V98 F99	L68-I94 HydrophobicContact CD1-CG1 4.24Å; A90-I94 WeakPolarHBondContact O-CB 3.39Å; A90-I94 WeakPolarHBondContact O-CD1 3.45Å; A90-I94 WeakPolarHBondContact O-CG1 3.42Å; A90-I94 PolarHBondContact O-N 3.27Å; M91-I94 PolarHBondContact O-N 2.84Å; I94-V98 HydrophobicContact CG2-CG2 4.25Å; I94-V98 WeakPolarHBondContact O-CA 3.18Å; I94-V98 WeakPolarHBondContact O-CB 3.33Å; I94-V98 WeakPolarHBondContact O-CG2 3.35Å; I94-V98 PolarHBondContact O-N 2.79Å; I94-F99 HydrophobicContact CG2-CE2 4.28Å
95	I	39	Very low	39.2	Very low	64 Å²	64	88.8 Å²	88.8	33%	0.328	44%	0.435	S	S	.	.	H	α-helix	trans	-64.5	-45.4	178.2	-69.3	164.1	0	0	0	111.6	M91 Q92 F99 K100	M91-I95 WeakPolarHBondContact O-CB 3.46Å; M91-I95 WeakPolarHBondContact O-CD1 3.2Å; M91-I95 WeakPolarHBondContact O-CG1 3.34Å; M91-I95 PolarHBondContact O-N 2.73Å; Q92-I95 PolarHBondContact O-N 3.24Å; I95-F99 CarbonylContact O-C 3.45Å; I95-F99 WeakPolarHBondContact O-CA 3.14Å; I95-F99 WeakPolarHBondContact O-CB 3.43Å; I95-F99 PolarHBondContact O-N 3.41Å; I95-F99 VanDerWaalsContact O-N 3.09Å; I95-K100 PolarHBondContact O-N 3.3Å
96	E	41	Very low	39	Very low	90 Å²	90	86.4 Å²	86.4	42%	0.421	43%	0.428	S	S	.	.	H	α-helix	trans	-72	-46.3	-176	-75.8	174.7	174.5	0	0	112.2	Q92 T93 K100 T101	Q92-E96 VanDerWaalsContact O-CB 3.24Å; Q92-E96 WeakPolarHBondContact O-CB 3.48Å; Q92-E96 VanDerWaalsContact O-CG 3.28Å; Q92-E96 WeakPolarHBondContact O-CG 3.28Å; Q92-E96 PolarHBondContact O-N 2.76Å; T93-E96 PolarHBondContact O-N 3.08Å; E96-K100 HydrophobicContact CG-CD 4.41Å; E96-K100 PolarHBondContact O-N 3.41Å; E96-T101 PolarHBondContact O-OG1 3.49Å
97	H	43.9	Very low	38.7	Very low	111 Å²	111	86.5 Å²	86.5	51%	0.514	44%	0.436	S	S	.	.	H	α-helix	trans	-86.2	-27.2	-174.8	-72	44.2	0	0	0	113.3	T93 T101	T93-H97 VanDerWaalsContact O-CB 3.25Å; T93-H97 WeakPolarHBondContact O-CB 3.29Å; T93-H97 PolarHBondContact O-N 2.81Å; H97-T101 PolarHBondContact O-OG1 2.9Å; H97-T101 VanDerWaalsContact O-OG1 3.1Å
98	V	40.6	Very low	38.1	Very low	26 Å²	26	88 Å²	88	16%	0.158	44%	0.442	C	S	.	.	H	α-helix	trans	-96.1	-25.6	-178.8	-171	0	0	0	0	111.6	L68 I94 R102	L68-V98 HydrophobicContact CD1-CG2 3.46Å; L68-V98 VanDerWaalsContact CD1-CG2 3.46Å; I94-V98 HydrophobicContact CG2-CG2 4.25Å; I94-V98 WeakPolarHBondContact O-CA 3.18Å; I94-V98 WeakPolarHBondContact O-CB 3.33Å; I94-V98 WeakPolarHBondContact O-CG2 3.35Å; I94-V98 PolarHBondContact O-N 2.79Å; V98-R102 WeakPolarHBondContact O-CD 3.35Å; V98-R102 VanDerWaalsContact O-CG 3.29Å; V98-R102 WeakPolarHBondContact O-CG 3.45Å; V98-R102 PolarHBondContact O-NE 2.98Å
99	F	36.5	Very low	37.6	Very low	86 Å²	86	84 Å²	84	38%	0.377	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-31	-168.6	-60.2	-78.9	0	0	0	115.9	F22 I94 I95 R102	F22-F99 HydrophobicContact CB-CZ 4.22Å; F22-F99 HydrophobicContact CG-CZ 4.32Å; I94-F99 HydrophobicContact CG2-CE2 4.28Å; I95-F99 CarbonylContact O-C 3.45Å; I95-F99 WeakPolarHBondContact O-CA 3.14Å; I95-F99 WeakPolarHBondContact O-CB 3.43Å; I95-F99 PolarHBondContact O-N 3.41Å; I95-F99 VanDerWaalsContact O-N 3.09Å; F99-R102 PolarHBondContact O-N 2.68Å
100	K	35	Very low	37.1	Very low	155 Å²	155	81.6 Å²	81.6	67%	0.674	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-78.4	-27.9	176.5	-89.9	-174.6	173.3	179.9	0	114	I95 E96 R102	I95-K100 PolarHBondContact O-N 3.3Å; E96-K100 HydrophobicContact CG-CD 4.41Å; E96-K100 PolarHBondContact O-N 3.41Å; K100-R102 PolarHBondContact O-N 3.46Å
101	T	34.8	Very low	36.5	Very low	97 Å²	97	90.4 Å²	90.4	60%	0.595	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-75.4	-1	169.1	22.5	0	0	0	0	113.5	E96 H97	E96-T101 PolarHBondContact O-OG1 3.49Å; H97-T101 PolarHBondContact O-OG1 2.9Å; H97-T101 VanDerWaalsContact O-OG1 3.1Å
102	R	34.2	Very low	36.1	Very low	94 Å²	94	88.8 Å²	88.8	36%	0.355	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-102.7	11	-175.8	-75.9	-159.9	-166.3	174.3	14.1	115.8	V98 F99 K100 D104	V98-R102 WeakPolarHBondContact O-CD 3.35Å; V98-R102 VanDerWaalsContact O-CG 3.29Å; V98-R102 WeakPolarHBondContact O-CG 3.45Å; V98-R102 PolarHBondContact O-NE 2.98Å; F99-R102 PolarHBondContact O-N 2.68Å; K100-R102 PolarHBondContact O-N 3.46Å; R102-D104 PolarHBondContact O-N 3.35Å
103	A	31.6	Very low	35.7	Very low	86 Å²	86	88.1 Å²	88.1	71%	0.711	46%	0.458	S	S	*	.	S	Bend	trans	-69.1	-17.4	169.5	0	0	0	0	0	112.5
104	D	33.2	Very low	35.3	Very low	147 Å²	147	88.8 Å²	88.8	79%	0.786	46%	0.459	S	S	*	.	S	Bend	trans	-119.9	-8.7	-169.6	-66.5	-39.2	0	0	0	115.8	R102	R102-D104 PolarHBondContact O-N 3.35Å
105	E	32.3	Very low	34.7	Very low	123 Å²	123	88.7 Å²	88.7	58%	0.575	47%	0.467	S	S	*	.			trans	-147.8	122.8	-165.3	-59.1	-175.8	175	0	0	113.4
106	G	33	Very low	34.4	Very low	33 Å²	33	89 Å²	89	34%	0.34	47%	0.468	S	S	.	.			trans	-84.1	-169.4	-163.7	0	0	0	0	0	118.8	G57 P58 S59	G57-G106 CarbonylContact O-C 2.74Å; G57-G106 WeakPolarHBondContact O-CA 3.25Å; P58-G106 CarbonylContact C-O 3.58Å; P58-G106 VanDerWaalsContact C-O 3.26Å; P58-G106 WeakPolarHBondContact CA-O 3.21Å; S59-G106 PolarHBondContact N-O 2.97Å
107	A	33	Very low	34	Very low	44 Å²	44	89 Å²	89	36%	0.364	47%	0.47	S	S	.	.			trans	-82.5	152.8	-161.3	0	0	0	0	0	118.6	G57	G57-A107 PolarHBondContact O-N 3.08Å
108	M	30.3	Very low	33.4	Very low	67 Å²	67	87.9 Å²	87.9	33%	0.33	49%	0.489	S	S	.	.			trans	-127.2	146.1	172.1	-89	-173.5	174.6	0	0	112.5	F110	M108-F110 HydrophobicContact CB-CD2 4.21Å; M108-F110 PolarHBondContact O-N 3.02Å; M108-F110 HydrophobicContact SD-CD2 3.89Å; M108-F110 HydrophobicContact SD-CE2 3.94Å
109	N	28.8	Very low	33.1	Very low	100 Å²	100	96.4 Å²	96.4	54%	0.535	52%	0.518	S	S	.	.			trans	-78.7	91.9	162.3	-90.4	-37.2	0	0	0	109.8	F54	F54-N109 WeakPolarHBondContact CE2-ND2 3.09Å; F54-N109 WeakPolarHBondContact CZ-ND2 3.35Å
110	F	31.4	Very low	32.9	Very low	122 Å²	122	96.6 Å²	96.6	54%	0.535	52%	0.522	S	S	.	.			trans	-126.8	124.4	169.8	-103.2	-88.9	0	0	0	111.2	L50 M108 I112	L50-F110 VanDerWaalsContact O-O 3.09Å; M108-F110 HydrophobicContact CB-CD2 4.21Å; M108-F110 PolarHBondContact O-N 3.02Å; M108-F110 HydrophobicContact SD-CD2 3.89Å; M108-F110 HydrophobicContact SD-CE2 3.94Å; F110-I112 PolarHBondContact O-N 3.32Å
111	R	31.1	Very low	32.7	Very low	199 Å²	199	94.6 Å²	94.6	75%	0.751	53%	0.526	S	S	*	.			trans	-74	102.9	163	-70.1	-178	179.1	166.9	1	107.1	F49 S113	F49-R111 HydrophobicContact CB-CB 4.16Å; F49-R111 HydrophobicContact CB-CG 4.3Å; F49-R111 HydrophobicContact CD2-CG 3.88Å; F49-R111 HydrophobicContact CE2-CG 4.43Å; F49-R111 HydrophobicContact CG-CG 4.17Å; R111-S113 PolarHBondContact O-N 3.45Å
112	I	34.8	Very low	32.7	Very low	38 Å²	38	92.7 Å²	92.7	20%	0.195	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	107.2	169.7	-60.1	171.5	0	0	0	106.7	L50 V65 F110 L114	L50-I112 HydrophobicContact CD2-CD1 4.21Å; V65-I112 HydrophobicContact CG1-CB 4.31Å; V65-I112 HydrophobicContact CG1-CD1 4.21Å; V65-I112 HydrophobicContact CG1-CG1 3.94Å; V65-I112 HydrophobicContact CG1-CG2 3.56Å; V65-I112 HydrophobicContact CG2-CD1 3.91Å; V65-I112 HydrophobicContact CG2-CG1 4.14Å; F110-I112 PolarHBondContact O-N 3.32Å; I112-L114 PolarHBondContact O-N 3.1Å; I112-L114 VanDerWaalsContact O-N 3.16Å
113	S	35	Very low	32.6	Very low	83 Å²	83	96.2 Å²	96.2	58%	0.58	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	115.7	161.8	179.9	0	0	0	0	106.4	R111 G115	R111-S113 PolarHBondContact O-N 3.45Å; S113-G115 PolarHBondContact O-N 2.98Å
114	L	37.5	Very low	32.7	Very low	64 Å²	64	94.5 Å²	94.5	34%	0.335	51%	0.506	S	S	.	.			trans	-62	108.8	163.4	-72.9	173.4	0	0	0	105.1	F36 I112 M116	F36-L114 HydrophobicContact CE2-CD1 3.9Å; F36-L114 HydrophobicContact CZ-CD1 4.05Å; I112-L114 PolarHBondContact O-N 3.1Å; I112-L114 VanDerWaalsContact O-N 3.16Å; L114-M116 PolarHBondContact O-N 2.73Å
115	G	31.7	Very low	32.7	Very low	33 Å²	33	91.3 Å²	91.3	34%	0.34	49%	0.489	S	S	.	.			trans	-55.7	82.2	-171	0	0	0	0	0	112.3	S113	S113-G115 PolarHBondContact O-N 2.98Å
116	M	33.1	Very low	32.7	Very low	72 Å²	72	86.8 Å²	86.8	36%	0.355	47%	0.47	S	S	.	.			trans	-87.9	105.5	150.3	-73	-156	165	0	0	105.3	P42 L114 G118 F124	P42-M116 HydrophobicContact CB-CE 3.21Å; P42-M116 HydrophobicContact CB-SD 4.46Å; P42-M116 WeakPolarHBondContact O-CE 3.27Å; L114-M116 PolarHBondContact O-N 2.73Å; M116-G118 VanDerWaalsContact C-N 3.25Å; M116-G118 PolarHBondContact O-N 2.91Å; M116-F124 HydrophobicContact CE-CE2 3.45Å; M116-F124 VanDerWaalsContact CE-CE2 3.45Å; M116-F124 HydrophobicContact CE-CZ 3.54Å
117	L	31.5	Very low	32.5	Very low	89 Å²	89	86.9 Å²	86.9	47%	0.466	47%	0.472	S	S	.	.			trans	-46.1	100.2	157.4	-72.8	164.9	0	0	0	106.4	W119 L120	L117-W119 VanDerWaalsContact C-CD1 3.46Å; L117-W119 VanDerWaalsContact CB-NE1 3.34Å; L117-W119 HydrophobicContact CD2-CZ2 4.13Å; L117-W119 PolarHBondContact O-N 3.16Å; L117-L120 HydrophobicContact CB-CB 4.45Å; L117-L120 HydrophobicContact CB-CD1 3.93Å; L117-L120 HydrophobicContact CB-CG 4.43Å; L117-L120 HydrophobicContact CD1-CD1 3.58Å; L117-L120 HydrophobicContact CG-CD1 4.38Å; L117-L120 PolarHBondContact O-N 3.24Å
118	G	32.4	Very low	32.3	Very low	88 Å²	88	88 Å²	88	91%	0.907	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	10.9	-175.8	0	0	0	0	0	115.2	M116	M116-G118 VanDerWaalsContact C-N 3.25Å; M116-G118 PolarHBondContact O-N 2.91Å
119	W	33.7	Very low	32.5	Very low	204 Å²	204	85.7 Å²	85.7	77%	0.773	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	1.2	-176.7	56.3	-56.5	0	0	0	112.6	L117	L117-W119 VanDerWaalsContact C-CD1 3.46Å; L117-W119 VanDerWaalsContact CB-NE1 3.34Å; L117-W119 HydrophobicContact CD2-CZ2 4.13Å; L117-W119 PolarHBondContact O-N 3.16Å
120	L	31.7	Very low	32.7	Very low	90 Å²	90	84.5 Å²	84.5	47%	0.471	45%	0.454	S	S	.	.			trans	-119.3	116	178.6	-74.2	166.5	0	0	0	111.6	L117 L122	L117-L120 HydrophobicContact CB-CB 4.45Å; L117-L120 HydrophobicContact CB-CD1 3.93Å; L117-L120 HydrophobicContact CB-CG 4.43Å; L117-L120 HydrophobicContact CD1-CD1 3.58Å; L117-L120 HydrophobicContact CG-CD1 4.38Å; L117-L120 PolarHBondContact O-N 3.24Å; L120-L122 VanDerWaalsContact C-N 3.3Å; L120-L122 HydrophobicContact CB-CD2 4.46Å; L120-L122 HydrophobicContact CB-CG 4.42Å; L120-L122 PolarHBondContact O-N 2.66Å
121	P	30.8	Very low	32.9	Very low	114 Å²	114	85.7 Å²	85.7	74%	0.74	46%	0.461	S	S	*	.			trans	-71.9	86.2	171	29.4	-31.8	0	0	0	109.4	K123	P121-K123 PolarHBondContact O-N 2.85Å
122	L	34.9	Very low	33.4	Very low	56 Å²	56	80 Å²	80	29%	0.293	45%	0.452	S	S	.	.			trans	-74	115.6	175.6	-65.5	175	0	0	0	109.7	I8 L120 F124	I8-L122 HydrophobicContact CD1-CB 4.42Å; I8-L122 HydrophobicContact CD1-CD1 3.85Å; I8-L122 HydrophobicContact CD1-CD2 3.52Å; I8-L122 HydrophobicContact CD1-CG 4.12Å; I8-L122 HydrophobicContact CG1-CD2 4.32Å; L120-L122 VanDerWaalsContact C-N 3.3Å; L120-L122 HydrophobicContact CB-CD2 4.46Å; L120-L122 HydrophobicContact CB-CG 4.42Å; L120-L122 PolarHBondContact O-N 2.66Å; L122-F124 HydrophobicContact CB-CD2 4.36Å; L122-F124 HydrophobicContact CB-CE2 3.64Å; L122-F124 HydrophobicContact CB-CZ 3.79Å; L122-F124 HydrophobicContact CD1-CE2 4.44Å; L122-F124 HydrophobicContact CD1-CZ 3.88Å; L122-F124 HydrophobicContact CG-CZ 4.49Å
123	K	32.1	Very low	33.8	Very low	168 Å²	168	82 Å²	82	73%	0.73	46%	0.46	S	S	*	.			trans	-82.6	114.7	165.9	-74.5	-175	179.9	178.6	0	108.4	P121	P121-K123 PolarHBondContact O-N 2.85Å
124	F	35.4	Very low	34.2	Very low	51 Å²	51	78.3 Å²	78.3	22%	0.224	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-94.7	120.4	171.9	-63.1	-82.2	0	0	0	108.8	I8 P12 M116 L122 C126	I8-F124 HydrophobicContact CB-CD1 4.23Å; I8-F124 HydrophobicContact CB-CE1 4.3Å; I8-F124 HydrophobicContact CD1-CE1 4.17Å; I8-F124 HydrophobicContact CG2-CD1 3.91Å; I8-F124 HydrophobicContact CG2-CE1 3.87Å; P12-F124 HydrophobicContact CG-CD1 3.36Å; P12-F124 HydrophobicContact CG-CD2 4.48Å; P12-F124 HydrophobicContact CG-CE1 3.49Å; P12-F124 VanDerWaalsContact CG-CE1 3.49Å; P12-F124 HydrophobicContact CG-CG 3.9Å; P12-F124 HydrophobicContact CG-CZ 4.13Å; M116-F124 HydrophobicContact CE-CE2 3.45Å; M116-F124 VanDerWaalsContact CE-CE2 3.45Å; M116-F124 HydrophobicContact CE-CZ 3.54Å; L122-F124 HydrophobicContact CB-CD2 4.36Å; L122-F124 HydrophobicContact CB-CE2 3.64Å; L122-F124 HydrophobicContact CB-CZ 3.79Å; L122-F124 HydrophobicContact CD1-CE2 4.44Å; L122-F124 HydrophobicContact CD1-CZ 3.88Å; L122-F124 HydrophobicContact CG-CZ 4.49Å; F124-C126 PolarHBondContact O-N 2.96Å
125	N	32.6	Very low	34.7	Very low	79 Å²	79	79.4 Å²	79.4	42%	0.422	45%	0.445	S	S	.	.			trans	-102.4	68	-177.5	-136	3.5	0	0	0	110.4	G127 T128	N125-G127 PolarHBondContact O-N 2.72Å; N125-T128 WeakPolarHBondContact CB-OG1 3.35Å; N125-T128 PolarHBondContact O-OG1 3.33Å
126	C	32.8	Very low	35.4	Very low	28 Å²	28	83.7 Å²	83.7	19%	0.189	47%	0.47	C	S	.	.	H	α-helix	trans	-62.7	-29.5	-178.8	-70	0	0	0	0	112.9	C11 F124 T128 L129 E130	C11-C126 VanDerWaalsContact CA-SG 3.5Å; C11-C126 HydrophobicContact CB-CB 3.87Å; C11-C126 WeakPolarHBondContact CB-SG 3.43Å; C11-C126 WeakPolarHBondContact SG-CB 3.5Å; C11-C126 CovalentContact SG-SG 2.06Å; C11-C126 PolarHBondContact SG-SG 3.05Å; F124-C126 PolarHBondContact O-N 2.96Å; C126-T128 PolarHBondContact O-N 3.16Å; C126-L129 PolarHBondContact O-N 3.39Å; C126-E130 PolarHBondContact O-N 3.1Å
127	G	28	Very low	35.7	Very low	36 Å²	36	83.4 Å²	83.4	37%	0.371	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-34.7	-177.8	0	0	0	0	0	114.2	N125 L129 E130 E131	N125-G127 PolarHBondContact O-N 2.72Å; G127-L129 VanDerWaalsContact C-N 3.34Å; G127-L129 PolarHBondContact O-N 2.98Å; G127-E130 PolarHBondContact O-N 3.32Å; G127-E131 WeakPolarHBondContact O-CB 3.41Å; G127-E131 WeakPolarHBondContact O-CG 3.35Å; G127-E131 PolarHBondContact O-N 3.29Å
128	T	29.8	Very low	36.4	Very low	66 Å²	66	82 Å²	82	41%	0.405	48%	0.478	S	S	.	.	H	α-helix	trans	-69.1	-29.3	179.3	14.6	0	0	0	0	113.4	N125 C126 S132	N125-T128 WeakPolarHBondContact CB-OG1 3.35Å; N125-T128 PolarHBondContact O-OG1 3.33Å; C126-T128 PolarHBondContact O-N 3.16Å; T128-S132 WeakPolarHBondContact O-CB 3.5Å; T128-S132 PolarHBondContact O-N 3.38Å; T128-S132 VanDerWaalsContact O-N 3.14Å; T128-S132 PolarHBondContact O-OG 3.46Å
129	L	33	Very low	37	Very low	20 Å²	20	80 Å²	80	11%	0.105	45%	0.445	C	S	.	.	H	α-helix	trans	-77.7	-41.5	176.9	-127.4	117.6	0	0	0	111.4	N9 C126 G127 S132 H133	N9-L129 WeakPolarHBondContact O-CD1 3.34Å; C126-L129 PolarHBondContact O-N 3.39Å; G127-L129 VanDerWaalsContact C-N 3.34Å; G127-L129 PolarHBondContact O-N 2.98Å; L129-S132 PolarHBondContact O-N 3.44Å; L129-S132 PolarHBondContact O-OG 3.21Å; L129-H133 PolarHBondContact O-N 3.39Å; L129-H133 VanDerWaalsContact O-N 3.11Å
130	E	34.4	Very low	37.4	Very low	75 Å²	75	72.2 Å²	72.2	35%	0.35	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-43.6	173.7	-70.9	178.6	166.6	0	0	111.3	C126 G127 S132 H133 C134	C126-E130 PolarHBondContact O-N 3.1Å; G127-E130 PolarHBondContact O-N 3.32Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 2.89Å; E130-H133 PolarHBondContact O-N 3.37Å; E130-C134 WeakPolarHBondContact O-CA 3.14Å; E130-C134 WeakPolarHBondContact O-CB 3.31Å; E130-C134 PolarHBondContact O-N 3.44Å
131	E	34	Very low	38	Very low	147 Å²	147	68.2 Å²	68.2	69%	0.687	40%	0.396	S	S	*	.	H	α-helix	trans	-64.2	-32.9	174	-79.6	178.6	171	0	0	113.2	G127 H133	G127-E131 WeakPolarHBondContact O-CB 3.41Å; G127-E131 WeakPolarHBondContact O-CG 3.35Å; G127-E131 PolarHBondContact O-N 3.29Å; E131-H133 VanDerWaalsContact C-N 3.34Å
132	S	42.4	Very low	38.4	Very low	78 Å²	78	65.9 Å²	65.9	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-78.4	-17.8	179.3	75.8	0	0	0	0	113.9	T128 L129 E130	T128-S132 WeakPolarHBondContact O-CB 3.5Å; T128-S132 PolarHBondContact O-N 3.38Å; T128-S132 VanDerWaalsContact O-N 3.14Å; T128-S132 PolarHBondContact O-OG 3.46Å; L129-S132 PolarHBondContact O-N 3.44Å; L129-S132 PolarHBondContact O-OG 3.21Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 2.89Å
133	H	42.6	Very low	38.3	Very low	80 Å²	80	66.6 Å²	66.6	37%	0.37	38%	0.375	S	S	.	.	H	α-helix	trans	-113.9	-21.8	-175.7	-73.5	13.9	0	0	0	112.5	L129 E130 E131 F140 C147	L129-H133 PolarHBondContact O-N 3.39Å; L129-H133 VanDerWaalsContact O-N 3.11Å; E130-H133 PolarHBondContact O-N 3.37Å; E131-H133 VanDerWaalsContact C-N 3.34Å; H133-F140 HydrophobicContact CB-CB 4.42Å; H133-F140 HydrophobicContact CB-CD2 4.04Å; H133-F140 HydrophobicContact CB-CG 4.32Å; H133-C147 PolarHBondContact O-SG 3.13Å
134	C	44	Very low	38.6	Very low	6 Å²	6	65.9 Å²	65.9	4%	0.041	37%	0.368	C	S	.	.	S	Bend	trans	-137.6	143.2	-176.3	-69.1	0	0	0	0	113.9	E130 M138 F140 C147	E130-C134 WeakPolarHBondContact O-CA 3.14Å; E130-C134 WeakPolarHBondContact O-CB 3.31Å; E130-C134 PolarHBondContact O-N 3.44Å; C134-M138 HydrophobicContact CB-CB 4.03Å; C134-F140 WeakPolarHBondContact SG-CA 3.44Å; C134-F140 VanDerWaalsContact SG-CB 3.58Å; C134-F140 PolarHBondContact SG-N 3.03Å; C134-F140 VanDerWaalsContact SG-N 3.41Å; C134-C147 WeakPolarHBondContact CA-SG 3.36Å; C134-C147 HydrophobicContact CB-CB 3.77Å; C134-C147 WeakPolarHBondContact CB-SG 3.27Å; C134-C147 WeakPolarHBondContact SG-CA 3.46Å; C134-C147 WeakPolarHBondContact SG-CB 3.2Å; C134-C147 CovalentContact SG-SG 2.03Å; C134-C147 PolarHBondContact SG-SG 3.16Å
135	P	48.9	Very low	38.9	Very low	87 Å²	87	71.3 Å²	71.3	57%	0.565	39%	0.394	S	S	*	.			trans	-53.7	144.7	168.5	-22.4	32.2	0	0	0	111	G137 M138	P135-G137 PolarHBondContact O-N 3.42Å; P135-M138 HydrophobicContact CB-SD 4.22Å; P135-M138 HydrophobicContact CG-SD 3.96Å; P135-M138 PolarHBondContact O-N 3.06Å
136	S	46.4	Very low	39.5	Very low	124 Å²	124	72 Å²	72	87%	0.867	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.7	123.8	177	173.2	0	0	0	0	111.7
137	G	39.7	Very low	40.2	Very low	65 Å²	65	72.1 Å²	72.1	67%	0.67	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	6.4	-178.8	0	0	0	0	0	115.5	P135	P135-G137 PolarHBondContact O-N 3.42Å
138	M	44.8	Very low	41.1	Very low	61 Å²	61	71 Å²	71	30%	0.3	38%	0.38	S	S	.	.			trans	-115.6	151	169.7	-55.5	-177.8	83.5	0	0	110.2	C134 P135 C147	C134-M138 HydrophobicContact CB-CB 4.03Å; P135-M138 HydrophobicContact CB-SD 4.22Å; P135-M138 HydrophobicContact CG-SD 3.96Å; P135-M138 PolarHBondContact O-N 3.06Å; M138-C147 HydrophobicContact CB-CB 3.97Å; M138-C147 HydrophobicContact CE-CB 3.78Å; M138-C147 VanDerWaalsContact CE-O 3.29Å; M138-C147 WeakPolarHBondContact CE-O 3.17Å; M138-C147 HydrophobicContact SD-CB 3.91Å
139	I	44.5	Very low	41.7	Very low	45 Å²	45	75.2 Å²	75.2	23%	0.231	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.2	175.3	-58.6	-179.9	0	0	0	108	D141 D148 L151 L152	I139-D141 PolarHBondContact O-N 2.79Å; I139-D141 VanDerWaalsContact O-N 3.15Å; I139-D148 PolarHBondContact N-O 2.93Å; I139-D148 PolarHBondContact O-N 3.38Å; I139-L151 HydrophobicContact CB-CB 3.88Å; I139-L151 HydrophobicContact CB-CD2 4.29Å; I139-L151 HydrophobicContact CG2-CB 4.09Å; I139-L151 HydrophobicContact CG2-CD2 3.59Å; I139-L151 HydrophobicContact CG2-CG 4.46Å; I139-L152 HydrophobicContact CD1-CD1 4.5Å; I139-L152 HydrophobicContact CD1-CD2 3.77Å; I139-L152 HydrophobicContact CD1-CG 3.64Å
140	F	43.3	Very low	41.9	Very low	40 Å²	40	79.4 Å²	79.4	18%	0.175	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	112.3	176.8	-169.7	-102.1	0	0	0	110.3	H133 C134 F142 Q145	H133-F140 HydrophobicContact CB-CB 4.42Å; H133-F140 HydrophobicContact CB-CD2 4.04Å; H133-F140 HydrophobicContact CB-CG 4.32Å; C134-F140 WeakPolarHBondContact SG-CA 3.44Å; C134-F140 VanDerWaalsContact SG-CB 3.58Å; C134-F140 PolarHBondContact SG-N 3.03Å; C134-F140 VanDerWaalsContact SG-N 3.41Å; F140-F142 AromaticContact CD1-CD1 3.78Å; F140-F142 HydrophobicContact CD1-CD1 3.78Å; F140-F142 HydrophobicContact CD1-CD2 4.02Å; F140-F142 AromaticContact CD1-CE1 3.72Å; F140-F142 HydrophobicContact CD1-CE1 3.72Å; F140-F142 AromaticContact CD1-CE2 3.95Å; F140-F142 HydrophobicContact CD1-CE2 3.95Å; F140-F142 AromaticContact CD1-CG 3.91Å; F140-F142 HydrophobicContact CD1-CG 3.91Å; F140-F142 AromaticContact CD1-CZ 3.78Å; F140-F142 HydrophobicContact CD1-CZ 3.78Å; F140-F142 AromaticContact CE1-CD1 3.79Å; F140-F142 HydrophobicContact CE1-CD1 3.79Å; F140-F142 AromaticContact CE1-CE1 3.93Å; F140-F142 HydrophobicContact CE1-CE1 3.93Å; F140-F142 HydrophobicContact CE1-CG 4.22Å; F140-F142 HydrophobicContact CE1-CZ 4.45Å; F140-F142 WeakPolarHBondContact O-CD2 2.86Å; F140-F142 PolarHBondContact O-N 3.26Å; F140-F142 VanDerWaalsContact O-N 3.1Å; F140-Q145 HydrophobicContact CZ-CB 4.48Å
141	D	43.8	Very low	41.7	Very low	7 Å²	7	77.3 Å²	77.3	4%	0.037	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	96.2	170.5	-166.4	-24.5	0	0	0	109.5	I139 F143 R144 Q145 K146 D148 L151	I139-D141 PolarHBondContact O-N 2.79Å; I139-D141 VanDerWaalsContact O-N 3.15Å; D141-F143 PolarHBondContact O-N 2.84Å; D141-F143 VanDerWaalsContact O-N 3.16Å; D141-F143 WeakPolarHBondContact OD1-CA 3.37Å; D141-F143 WeakPolarHBondContact OD1-CB 3.47Å; D141-F143 WeakPolarHBondContact OD1-CD2 3.13Å; D141-F143 PolarHBondContact OD1-N 3.14Å; D141-R144 HydrophobicContact CB-CB 4Å; D141-R144 CarbonylContact O-C 3.19Å; D141-R144 PolarHBondContact O-N 2.83Å; D141-R144 VanDerWaalsContact O-N 3.17Å; D141-R144 PolarHBondContact OD1-N 3.09Å; D141-R144 WeakPolarHBondContact OD2-CB 3.34Å; D141-R144 WeakPolarHBondContact OD2-CD 3.21Å; D141-R144 WeakPolarHBondContact OD2-CG 3.19Å; D141-R144 IonicContact OD2-NE 3.08Å; D141-Q145 WeakPolarHBondContact O-CA 3.23Å; D141-Q145 PolarHBondContact O-N 3.27Å; D141-K146 WeakPolarHBondContact CA-O 3.3Å; D141-K146 HydrophobicContact CB-CG 4.31Å; D141-K146 WeakPolarHBondContact CB-O 3.4Å; D141-K146 PolarHBondContact N-O 2.91Å; D141-K146 PolarHBondContact O-N 3.26Å; D141-D148 HydrophobicContact CB-CB 4.13Å; D141-L151 HydrophobicContact CB-CD1 3.38Å; D141-L151 HydrophobicContact CB-CD2 4.4Å; D141-L151 HydrophobicContact CB-CG 4.47Å; D141-L151 WeakPolarHBondContact OD2-CD1 3.26Å
142	F	39.5	Very low	41.5	Very low	65 Å²	65	73.6 Å²	73.6	29%	0.285	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.1	172.7	-72.2	-83.6	0	0	0	113.1	E14 F140	E14-F142 VanDerWaalsContact CD-CE1 3.49Å; E14-F142 HydrophobicContact CG-CD1 4.33Å; E14-F142 HydrophobicContact CG-CD2 4.14Å; E14-F142 HydrophobicContact CG-CE1 3.78Å; E14-F142 HydrophobicContact CG-CE2 3.57Å; E14-F142 HydrophobicContact CG-CZ 3.38Å; E14-F142 WeakPolarHBondContact OE1-CZ 3.36Å; F140-F142 AromaticContact CD1-CD1 3.78Å; F140-F142 HydrophobicContact CD1-CD1 3.78Å; F140-F142 HydrophobicContact CD1-CD2 4.02Å; F140-F142 AromaticContact CD1-CE1 3.72Å; F140-F142 HydrophobicContact CD1-CE1 3.72Å; F140-F142 AromaticContact CD1-CE2 3.95Å; F140-F142 HydrophobicContact CD1-CE2 3.95Å; F140-F142 AromaticContact CD1-CG 3.91Å; F140-F142 HydrophobicContact CD1-CG 3.91Å; F140-F142 AromaticContact CD1-CZ 3.78Å; F140-F142 HydrophobicContact CD1-CZ 3.78Å; F140-F142 AromaticContact CE1-CD1 3.79Å; F140-F142 HydrophobicContact CE1-CD1 3.79Å; F140-F142 AromaticContact CE1-CE1 3.93Å; F140-F142 HydrophobicContact CE1-CE1 3.93Å; F140-F142 HydrophobicContact CE1-CG 4.22Å; F140-F142 HydrophobicContact CE1-CZ 4.45Å; F140-F142 WeakPolarHBondContact O-CD2 2.86Å; F140-F142 PolarHBondContact O-N 3.26Å; F140-F142 VanDerWaalsContact O-N 3.1Å
143	F	32.3	Very low	40.8	Very low	70 Å²	70	73.8 Å²	73.8	31%	0.307	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-35.8	177.4	-56.7	-117.5	0	0	0	111.8	R21 D141	R21-F143 HydrophobicContact CG-CE1 4.03Å; R21-F143 HydrophobicContact CG-CZ 4.38Å; R21-F143 VanDerWaalsContact NH2-CG 3.32Å; D141-F143 PolarHBondContact O-N 2.84Å; D141-F143 VanDerWaalsContact O-N 3.16Å; D141-F143 WeakPolarHBondContact OD1-CA 3.37Å; D141-F143 WeakPolarHBondContact OD1-CB 3.47Å; D141-F143 WeakPolarHBondContact OD1-CD2 3.13Å; D141-F143 PolarHBondContact OD1-N 3.14Å
144	R	39	Very low	40.1	Very low	153 Å²	153	71.3 Å²	71.3	58%	0.577	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-1.2	-177.3	-64.5	179.6	179.6	167.7	-7.1	113.9	D141 K146 D148	D141-R144 HydrophobicContact CB-CB 4Å; D141-R144 CarbonylContact O-C 3.19Å; D141-R144 PolarHBondContact O-N 2.83Å; D141-R144 VanDerWaalsContact O-N 3.17Å; D141-R144 PolarHBondContact OD1-N 3.09Å; D141-R144 WeakPolarHBondContact OD2-CB 3.34Å; D141-R144 WeakPolarHBondContact OD2-CD 3.21Å; D141-R144 WeakPolarHBondContact OD2-CG 3.19Å; D141-R144 IonicContact OD2-NE 3.08Å; R144-K146 HydrophobicContact CB-CD 3.89Å; R144-K146 HydrophobicContact CB-CG 3.73Å; R144-K146 PolarHBondContact O-N 2.95Å; R144-D148 IonicContact CZ-OD2 3.08Å; R144-D148 IonicContact NH1-OD2 3.26Å; R144-D148 PolarHBondContact NH1-OD2 2.91Å
145	Q	41.3	Very low	39.4	Very low	166 Å²	166	75.6 Å²	75.6	78%	0.776	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	39.1	-173.8	-60.6	-172.1	1.2	0	0	112.9	F140 D141	F140-Q145 HydrophobicContact CZ-CB 4.48Å; D141-Q145 WeakPolarHBondContact O-CA 3.23Å; D141-Q145 PolarHBondContact O-N 3.27Å
146	K	45.2	Very low	38.5	Very low	92 Å²	92	73.4 Å²	73.4	40%	0.4	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156	-177.1	75	-179	-166.4	171.2	0	109.6	D141 R144 D148	D141-K146 WeakPolarHBondContact CA-O 3.3Å; D141-K146 HydrophobicContact CB-CG 4.31Å; D141-K146 WeakPolarHBondContact CB-O 3.4Å; D141-K146 PolarHBondContact N-O 2.91Å; D141-K146 PolarHBondContact O-N 3.26Å; R144-K146 HydrophobicContact CB-CD 3.89Å; R144-K146 HydrophobicContact CB-CG 3.73Å; R144-K146 PolarHBondContact O-N 2.95Å; K146-D148 WeakPolarHBondContact CE-OD2 3.44Å; K146-D148 IonicContact NZ-OD2 3.9Å; K146-D148 PolarHBondContact NZ-OD2 3.38Å; K146-D148 VanDerWaalsContact NZ-OD2 3.08Å; K146-D148 PolarHBondContact O-N 3.24Å
147	C	47.9	Very low	37.7	Very low	32 Å²	32	68.6 Å²	68.6	22%	0.216	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.3	166.5	-60.6	0	0	0	0	109.4	H133 C134 M138	H133-C147 PolarHBondContact O-SG 3.13Å; C134-C147 WeakPolarHBondContact CA-SG 3.36Å; C134-C147 HydrophobicContact CB-CB 3.77Å; C134-C147 WeakPolarHBondContact CB-SG 3.27Å; C134-C147 WeakPolarHBondContact SG-CA 3.46Å; C134-C147 WeakPolarHBondContact SG-CB 3.2Å; C134-C147 CovalentContact SG-SG 2.03Å; C134-C147 PolarHBondContact SG-SG 3.16Å; M138-C147 HydrophobicContact CB-CB 3.97Å; M138-C147 HydrophobicContact CE-CB 3.78Å; M138-C147 VanDerWaalsContact CE-O 3.29Å; M138-C147 WeakPolarHBondContact CE-O 3.17Å; M138-C147 HydrophobicContact SD-CB 3.91Å
148	D	45.4	Very low	37.4	Very low	11 Å²	11	73.1 Å²	73.1	6%	0.059	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.5	178.6	-150.7	-33.8	0	0	0	109.2	I139 D141 R144 K146 D150 L151	I139-D148 PolarHBondContact N-O 2.93Å; I139-D148 PolarHBondContact O-N 3.38Å; D141-D148 HydrophobicContact CB-CB 4.13Å; R144-D148 IonicContact CZ-OD2 3.08Å; R144-D148 IonicContact NH1-OD2 3.26Å; R144-D148 PolarHBondContact NH1-OD2 2.91Å; K146-D148 WeakPolarHBondContact CE-OD2 3.44Å; K146-D148 IonicContact NZ-OD2 3.9Å; K146-D148 PolarHBondContact NZ-OD2 3.38Å; K146-D148 VanDerWaalsContact NZ-OD2 3.08Å; K146-D148 PolarHBondContact O-N 3.24Å; D148-D150 PolarHBondContact O-N 2.92Å; D148-D150 WeakPolarHBondContact OD1-CB 3.22Å; D148-D150 PolarHBondContact OD1-N 3.39Å; D148-L151 HydrophobicContact CB-CB 4.4Å; D148-L151 HydrophobicContact CB-CD1 4.26Å
149	K	42.6	Very low	36.8	Very low	156 Å²	156	73.9 Å²	73.9	68%	0.678	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.1	173.8	-156.8	178.5	-178.8	-176.1	0	110.3
150	D	37.7	Very low	36.2	Very low	108 Å²	108	73.6 Å²	73.6	58%	0.578	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	1.7	-175.4	-57.3	-27.8	0	0	0	113.1	D148 L152 F153	D148-D150 PolarHBondContact O-N 2.92Å; D148-D150 WeakPolarHBondContact OD1-CB 3.22Å; D148-D150 PolarHBondContact OD1-N 3.39Å; D150-L152 PolarHBondContact O-N 3.18Å; D150-F153 WeakPolarHBondContact O-CA 2.83Å; D150-F153 WeakPolarHBondContact O-CB 3.16Å; D150-F153 PolarHBondContact O-N 2.82Å
151	L	31.4	Very low	35.6	Very low	31 Å²	31	72 Å²	72	16%	0.162	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-69.6	-18.3	-175.9	-144.4	83	0	0	0	114.3	I139 D141 D148 F153 G154	I139-L151 HydrophobicContact CB-CB 3.88Å; I139-L151 HydrophobicContact CB-CD2 4.29Å; I139-L151 HydrophobicContact CG2-CB 4.09Å; I139-L151 HydrophobicContact CG2-CD2 3.59Å; I139-L151 HydrophobicContact CG2-CG 4.46Å; D141-L151 HydrophobicContact CB-CD1 3.38Å; D141-L151 HydrophobicContact CB-CD2 4.4Å; D141-L151 HydrophobicContact CB-CG 4.47Å; D141-L151 WeakPolarHBondContact OD2-CD1 3.26Å; D148-L151 HydrophobicContact CB-CB 4.4Å; D148-L151 HydrophobicContact CB-CD1 4.26Å; L151-F153 PolarHBondContact O-N 3.37Å; L151-G154 PolarHBondContact O-N 3.45Å
152	L	29.8	Very low	35	Very low	69 Å²	69	75.1 Å²	75.1	36%	0.361	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.1	-16.5	166.3	-76.8	165.2	0	0	0	111.7	I139 D150 V157	I139-L152 HydrophobicContact CD1-CD1 4.5Å; I139-L152 HydrophobicContact CD1-CD2 3.77Å; I139-L152 HydrophobicContact CD1-CG 3.64Å; D150-L152 PolarHBondContact O-N 3.18Å; L152-V157 WeakPolarHBondContact O-CG2 3.42Å
153	F	27.2	Very low	34.5	Very low	82 Å²	82	77.5 Å²	77.5	36%	0.36	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-111.9	20.3	179.9	-58.4	-88.5	0	0	0	114.4	D150 L151 D190 A194	D150-F153 WeakPolarHBondContact O-CA 2.83Å; D150-F153 WeakPolarHBondContact O-CB 3.16Å; D150-F153 PolarHBondContact O-N 2.82Å; L151-F153 PolarHBondContact O-N 3.37Å; F153-D190 HydrophobicContact CE1-CB 4.41Å; F153-D190 WeakPolarHBondContact CE1-O 3.39Å; F153-D190 HydrophobicContact CE2-CB 4.07Å; F153-D190 HydrophobicContact CZ-CB 3.59Å; F153-D190 WeakPolarHBondContact CZ-O 3.11Å; F153-A194 HydrophobicContact CD1-CB 3.95Å; F153-A194 HydrophobicContact CE1-CB 3.83Å
154	G	27	Very low	34.3	Very low	27 Å²	27	75.2 Å²	75.2	28%	0.278	37%	0.366	S	S	.	.	S	Bend	trans	-71.2	171.4	176.3	0	0	0	0	0	114.9	L151 G156 V157	L151-G154 PolarHBondContact O-N 3.45Å; G154-G156 PolarHBondContact O-N 3.32Å; G154-V157 PolarHBondContact O-N 2.84Å
155	K	29.5	Very low	33.9	Very low	96 Å²	96	74 Å²	74	42%	0.417	37%	0.365	S	S	.	.	H	α-helix	trans	-46.7	-21.9	-173.5	-73.8	-176.4	176.8	-172	0	116	D24 R158 R159	D24-K155 IonicContact OD2-NZ 2.88Å; K155-R158 PolarHBondContact O-N 2.99Å; K155-R159 PolarHBondContact O-N 2.78Å; K155-R159 VanDerWaalsContact O-N 3.08Å
156	G	29.5	Very low	33.6	Very low	41 Å²	41	71.4 Å²	71.4	42%	0.423	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-42.7	172.6	0	0	0	0	0	114	G154 R159 F160	G154-G156 PolarHBondContact O-N 3.32Å; G156-R159 PolarHBondContact O-N 3.39Å; G156-F160 PolarHBondContact O-N 2.9Å
157	V	31.5	Very low	33.1	Very low	24 Å²	24	70.3 Å²	70.3	15%	0.145	36%	0.359	C	S	.	.	H	α-helix	trans	-67.8	-39	174.3	170.7	0	0	0	0	110.7	L152 G154 R159 F160 I161 L191 A194 M198	L152-V157 WeakPolarHBondContact O-CG2 3.42Å; G154-V157 PolarHBondContact O-N 2.84Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 3.48Å; V157-F160 PolarHBondContact O-N 3.48Å; V157-I161 HydrophobicContact CG1-CD1 3.39Å; V157-I161 HydrophobicContact CG1-CG1 4.22Å; V157-I161 WeakPolarHBondContact O-CB 3.34Å; V157-I161 WeakPolarHBondContact O-CD1 3.43Å; V157-I161 WeakPolarHBondContact O-CG1 3.43Å; V157-I161 PolarHBondContact O-N 3Å; V157-L191 HydrophobicContact CG2-CD2 4.44Å; V157-A194 HydrophobicContact CG1-CB 3.73Å; V157-M198 HydrophobicContact CG1-CE 4.23Å
158	R	31.4	Very low	32.6	Very low	160 Å²	160	74.1 Å²	74.1	60%	0.604	38%	0.382	S	S	*	.	H	α-helix	trans	-60.5	-35	172.3	-79.1	-174.8	-178.8	179.8	0.2	113.6	K155 S162 M198	K155-R158 PolarHBondContact O-N 2.99Å; R158-S162 WeakPolarHBondContact O-CB 3.4Å; R158-S162 PolarHBondContact O-N 2.65Å; R158-M198 HydrophobicContact CG-SD 4.4Å
159	R	32.3	Very low	32.4	Very low	77 Å²	77	75.4 Å²	75.4	29%	0.291	39%	0.392	S	S	.	.	H	α-helix	trans	-74.7	-40.9	174.4	-87.9	-175.4	174	168.7	2.3	112.3	A20 K155 G156 V157 I161 S162 F163	A20-R159 PolarHBondContact O-NH1 2.97Å; A20-R159 PolarHBondContact O-NH2 3.01Å; K155-R159 PolarHBondContact O-N 2.78Å; K155-R159 VanDerWaalsContact O-N 3.08Å; G156-R159 PolarHBondContact O-N 3.39Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 3.48Å; R159-I161 PolarHBondContact O-N 3.02Å; R159-S162 PolarHBondContact O-N 3.43Å; R159-F163 PolarHBondContact O-N 3.45Å; R159-F163 VanDerWaalsContact O-N 3.11Å
160	F	32	Very low	32.1	Very low	39 Å²	39	71.4 Å²	71.4	17%	0.171	38%	0.375	C	S	.	.	H	α-helix	trans	-60.6	-36.3	173.3	-164.7	-86.5	0	0	0	111.4	G156 V157 F163 S164 F170 L171 A174 F178 F195	G156-F160 PolarHBondContact O-N 2.9Å; V157-F160 PolarHBondContact O-N 3.48Å; F160-F163 PolarHBondContact O-N 2.87Å; F160-S164 PolarHBondContact O-N 3.46Å; F160-F170 HydrophobicContact CD2-CE1 4.34Å; F160-F170 HydrophobicContact CE2-CE1 4.01Å; F160-F170 HydrophobicContact CE2-CZ 4.31Å; F160-F170 HydrophobicContact CZ-CE1 4.18Å; F160-L171 HydrophobicContact CE1-CD1 4.28Å; F160-A174 HydrophobicContact CE2-CB 4.03Å; F160-A174 HydrophobicContact CZ-CB 3.52Å; F160-F178 HydrophobicContact CE2-CE2 4.06Å; F160-F178 AromaticContact CZ-CE2 3.99Å; F160-F178 HydrophobicContact CZ-CE2 3.99Å; F160-F195 AromaticContact CD1-CE1 3.67Å; F160-F195 HydrophobicContact CD1-CE1 3.67Å; F160-F195 AromaticContact CD1-CZ 3.56Å; F160-F195 HydrophobicContact CD1-CZ 3.56Å; F160-F195 AromaticContact CE1-CE1 3.82Å; F160-F195 HydrophobicContact CE1-CE1 3.82Å; F160-F195 AromaticContact CE1-CZ 3.41Å; F160-F195 HydrophobicContact CE1-CZ 3.41Å; F160-F195 VanDerWaalsContact CE1-CZ 3.41Å
161	I	30.5	Very low	32.2	Very low	6 Å²	6	67.3 Å²	67.3	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-75.6	-34.1	176.7	-71.5	171.1	0	0	0	113	V157 R159 F163 S164 K165 A194 F195 M198	V157-I161 HydrophobicContact CG1-CD1 3.39Å; V157-I161 HydrophobicContact CG1-CG1 4.22Å; V157-I161 WeakPolarHBondContact O-CB 3.34Å; V157-I161 WeakPolarHBondContact O-CD1 3.43Å; V157-I161 WeakPolarHBondContact O-CG1 3.43Å; V157-I161 PolarHBondContact O-N 3Å; R159-I161 PolarHBondContact O-N 3.02Å; I161-F163 PolarHBondContact O-N 2.91Å; I161-S164 WeakPolarHBondContact CA-OG 3.47Å; I161-S164 PolarHBondContact O-N 2.87Å; I161-S164 PolarHBondContact O-OG 3.47Å; I161-K165 WeakPolarHBondContact O-CG 3.37Å; I161-K165 PolarHBondContact O-N 3.49Å; I161-K165 VanDerWaalsContact O-N 3.07Å; I161-A194 HydrophobicContact CD1-CB 4.1Å; I161-F195 HydrophobicContact CG1-CD1 3.99Å; I161-F195 HydrophobicContact CG1-CE1 3.94Å; I161-M198 HydrophobicContact CB-SD 4.31Å; I161-M198 HydrophobicContact CD1-CB 4.28Å; I161-M198 HydrophobicContact CD1-CE 3.04Å; I161-M198 HydrophobicContact CD1-CG 4.29Å; I161-M198 HydrophobicContact CD1-SD 3.4Å; I161-M198 WeakPolarHBondContact CD1-SD 3.23Å; I161-M198 HydrophobicContact CG1-CE 4.47Å; I161-M198 HydrophobicContact CG1-SD 4.43Å; I161-M198 HydrophobicContact CG2-CB 3.57Å; I161-M198 HydrophobicContact CG2-CG 4.3Å; I161-M198 HydrophobicContact CG2-SD 3.79Å
162	S	31.6	Very low	32.7	Very low	73 Å²	73	71.1 Å²	71.1	51%	0.51	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-33.1	170.2	-173.5	0	0	0	0	112.1	R158 R159	R158-S162 WeakPolarHBondContact O-CB 3.4Å; R158-S162 PolarHBondContact O-N 2.65Å; R159-S162 PolarHBondContact O-N 3.43Å
163	F	28.5	Very low	33.5	Very low	115 Å²	115	75.6 Å²	75.6	50%	0.504	38%	0.381	S	S	.	.	H	α-helix	trans	-78	-36.8	176.4	-96.3	-83.5	0	0	0	112.8	R159 F160 I161 K165 T166 N167 F170	R159-F163 PolarHBondContact O-N 3.45Å; R159-F163 VanDerWaalsContact O-N 3.11Å; F160-F163 PolarHBondContact O-N 2.87Å; I161-F163 PolarHBondContact O-N 2.91Å; F163-K165 VanDerWaalsContact C-N 3.33Å; F163-T166 PolarHBondContact O-N 2.86Å; F163-T166 PolarHBondContact O-OG1 3.14Å; F163-N167 PolarHBondContact O-N 3.19Å; F163-F170 HydrophobicContact CB-CD1 4.19Å; F163-F170 HydrophobicContact CB-CE1 3.95Å
164	S	29.5	Very low	34.1	Very low	22 Å²	22	72.1 Å²	72.1	15%	0.154	37%	0.368	C	S	.	.	H	α-helix	trans	-68.6	-29.8	175.4	66.9	0	0	0	0	112.9	F160 I161 T166 N167	F160-S164 PolarHBondContact O-N 3.46Å; I161-S164 WeakPolarHBondContact CA-OG 3.47Å; I161-S164 PolarHBondContact O-N 2.87Å; I161-S164 PolarHBondContact O-OG 3.47Å; S164-T166 PolarHBondContact O-N 3.21Å; S164-N167 PolarHBondContact O-N 3.15Å
165	K	30.6	Very low	34.8	Very low	127 Å²	127	71.5 Å²	71.5	55%	0.552	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.6	171.9	-81.2	179.9	-179.4	-172	0	114.3	I161 F163 M198	I161-K165 WeakPolarHBondContact O-CG 3.37Å; I161-K165 PolarHBondContact O-N 3.49Å; I161-K165 VanDerWaalsContact O-N 3.07Å; F163-K165 VanDerWaalsContact C-N 3.33Å; K165-M198 WeakPolarHBondContact CE-O 3.4Å
166	T	33.7	Very low	35.6	Very low	112 Å²	112	73.2 Å²	73.2	69%	0.687	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-13.3	-175.9	41.8	0	0	0	0	114.3	F163 S164	F163-T166 PolarHBondContact O-N 2.86Å; F163-T166 PolarHBondContact O-OG1 3.14Å; S164-T166 PolarHBondContact O-N 3.21Å
167	N	35.4	Very low	36.1	Very low	68 Å²	68	74.4 Å²	74.4	36%	0.364	37%	0.373	S	S	.	.			trans	-156.9	94.5	-171.4	-161.9	-19.8	0	0	0	112.5	F163 S164 S169 F170 L171	F163-N167 PolarHBondContact O-N 3.19Å; S164-N167 PolarHBondContact O-N 3.15Å; N167-S169 PolarHBondContact O-N 3.02Å; N167-S169 WeakPolarHBondContact OD1-CB 3.39Å; N167-S169 PolarHBondContact OD1-N 3.01Å; N167-S169 PolarHBondContact OD1-OG 3.43Å; N167-F170 HydrophobicContact CB-CB 3.93Å; N167-F170 VanDerWaalsContact O-CB 3.31Å; N167-F170 WeakPolarHBondContact O-CB 3.08Å; N167-F170 PolarHBondContact O-N 2.98Å; N167-F170 PolarHBondContact OD1-N 3.38Å; N167-L171 PolarHBondContact O-N 2.77Å
168	T	37.2	Very low	36.4	Very low	113 Å²	113	75 Å²	75	69%	0.693	37%	0.374	S	S	*	.	H	α-helix	trans	-55.6	-34.9	175.2	43.8	0	0	0	0	112.5	F170 L171 E172	T168-F170 VanDerWaalsContact C-N 3.26Å; T168-F170 PolarHBondContact O-N 3.17Å; T168-L171 WeakPolarHBondContact O-CB 3.12Å; T168-L171 PolarHBondContact O-N 3.03Å; T168-E172 PolarHBondContact O-N 2.82Å; T168-E172 VanDerWaalsContact O-N 3.15Å
169	S	40.9	Very low	36.7	Very low	38 Å²	38	72.4 Å²	72.4	27%	0.266	36%	0.364	S	S	.	.	H	α-helix	trans	-69.2	-20.2	176.4	81.6	0	0	0	0	114.1	N167 R173	N167-S169 PolarHBondContact O-N 3.02Å; N167-S169 WeakPolarHBondContact OD1-CB 3.39Å; N167-S169 PolarHBondContact OD1-N 3.01Å; N167-S169 PolarHBondContact OD1-OG 3.43Å; S169-R173 WeakPolarHBondContact O-CB 3.36Å; S169-R173 VanDerWaalsContact O-CG 3.29Å; S169-R173 WeakPolarHBondContact O-CG 3.41Å; S169-R173 PolarHBondContact O-N 2.95Å; S169-R173 PolarHBondContact O-NE 3.45Å; S169-R173 PolarHBondContact OG-NH2 2.86Å
170	F	37.4	Very low	37.2	Very low	72 Å²	72	78.1 Å²	78.1	32%	0.316	39%	0.391	S	S	.	.	H	α-helix	trans	-76.4	-41	173.4	176.3	-95.4	0	0	0	110.6	F160 F163 N167 T168 R173 A174	F160-F170 HydrophobicContact CD2-CE1 4.34Å; F160-F170 HydrophobicContact CE2-CE1 4.01Å; F160-F170 HydrophobicContact CE2-CZ 4.31Å; F160-F170 HydrophobicContact CZ-CE1 4.18Å; F163-F170 HydrophobicContact CB-CD1 4.19Å; F163-F170 HydrophobicContact CB-CE1 3.95Å; N167-F170 HydrophobicContact CB-CB 3.93Å; N167-F170 VanDerWaalsContact O-CB 3.31Å; N167-F170 WeakPolarHBondContact O-CB 3.08Å; N167-F170 PolarHBondContact O-N 2.98Å; N167-F170 PolarHBondContact OD1-N 3.38Å; T168-F170 VanDerWaalsContact C-N 3.26Å; T168-F170 PolarHBondContact O-N 3.17Å; F170-R173 PolarHBondContact O-N 2.86Å; F170-A174 VanDerWaalsContact O-CB 3.23Å; F170-A174 WeakPolarHBondContact O-CB 3.37Å; F170-A174 PolarHBondContact O-N 3.47Å
171	L	39.6	Very low	37.4	Very low	22 Å²	22	77.6 Å²	77.6	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-48.1	176.1	-174.1	67.1	0	0	0	110.7	F160 N167 T168 R173 A174 L175 F195	F160-L171 HydrophobicContact CE1-CD1 4.28Å; N167-L171 PolarHBondContact O-N 2.77Å; T168-L171 WeakPolarHBondContact O-CB 3.12Å; T168-L171 PolarHBondContact O-N 3.03Å; L171-R173 PolarHBondContact O-N 2.88Å; L171-A174 PolarHBondContact O-N 3.19Å; L171-L175 HydrophobicContact CD1-CD1 3.9Å; L171-L175 HydrophobicContact CD1-CG 4.33Å; L171-L175 HydrophobicContact CD2-CD1 4.48Å; L171-L175 HydrophobicContact CG-CD1 3.71Å; L171-L175 HydrophobicContact CG-CG 4.48Å; L171-L175 VanDerWaalsContact O-CB 3.26Å; L171-L175 WeakPolarHBondContact O-CB 3.32Å; L171-L175 WeakPolarHBondContact O-CD1 3.5Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 3.39Å; L171-F195 HydrophobicContact CD1-CD1 4.19Å; L171-F195 HydrophobicContact CD1-CE1 3.71Å; L171-F195 HydrophobicContact CD1-CE2 4.34Å; L171-F195 HydrophobicContact CD1-CZ 3.84Å
172	E	42.4	Very low	37.7	Very low	110 Å²	110	81.9 Å²	81.9	51%	0.514	42%	0.419	S	S	.	.	H	α-helix	trans	-60.6	-45.3	176.7	-71	179.6	160.6	0	0	112.5	T168 Q176	T168-E172 PolarHBondContact O-N 2.82Å; T168-E172 VanDerWaalsContact O-N 3.15Å; E172-Q176 WeakPolarHBondContact O-CB 3.4Å; E172-Q176 WeakPolarHBondContact O-CG 3.17Å; E172-Q176 PolarHBondContact O-N 3.44Å
173	R	45.3	Very low	37.9	Very low	163 Å²	163	82.9 Å²	82.9	62%	0.615	42%	0.424	S	S	*	.	H	α-helix	trans	-66.7	-42.4	179.2	-80.6	-175.9	-86.4	-169.9	-9.4	112.9	S169 F170 L171 Q176 A177	S169-R173 WeakPolarHBondContact O-CB 3.36Å; S169-R173 VanDerWaalsContact O-CG 3.29Å; S169-R173 WeakPolarHBondContact O-CG 3.41Å; S169-R173 PolarHBondContact O-N 2.95Å; S169-R173 PolarHBondContact O-NE 3.45Å; S169-R173 PolarHBondContact OG-NH2 2.86Å; F170-R173 PolarHBondContact O-N 2.86Å; L171-R173 PolarHBondContact O-N 2.88Å; R173-Q176 PolarHBondContact O-N 3.05Å; R173-A177 WeakPolarHBondContact O-CB 3.43Å; R173-A177 PolarHBondContact O-N 3.04Å
174	A	39.7	Very low	38.4	Very low	9 Å²	9	79 Å²	79	7%	0.074	41%	0.408	C	S	.	.	H	α-helix	trans	-66.2	-45.5	177.8	0	0	0	0	0	110.5	F160 F170 L171 Q176 A177 F178	F160-A174 HydrophobicContact CE2-CB 4.03Å; F160-A174 HydrophobicContact CZ-CB 3.52Å; F170-A174 VanDerWaalsContact O-CB 3.23Å; F170-A174 WeakPolarHBondContact O-CB 3.37Å; F170-A174 PolarHBondContact O-N 3.47Å; L171-A174 PolarHBondContact O-N 3.19Å; A174-Q176 VanDerWaalsContact C-N 3.35Å; A174-Q176 PolarHBondContact O-N 3.42Å; A174-A177 WeakPolarHBondContact O-CB 3.35Å; A174-A177 PolarHBondContact O-N 2.92Å; A174-A177 VanDerWaalsContact O-N 3.14Å; A174-F178 VanDerWaalsContact C-CD2 3.43Å; A174-F178 HydrophobicContact CB-CD2 4.34Å; A174-F178 HydrophobicContact CB-CE2 3.96Å; A174-F178 WeakPolarHBondContact O-CB 3.23Å; A174-F178 WeakPolarHBondContact O-CD2 3.37Å; A174-F178 WeakPolarHBondContact O-CG 3.29Å; A174-F178 PolarHBondContact O-N 2.69Å
175	L	42.4	Very low	38.8	Very low	14 Å²	14	79.5 Å²	79.5	7%	0.073	41%	0.409	C	S	.	.	H	α-helix	trans	-65.1	-35.3	176.8	-69.6	168	0	0	0	113.2	L171 F178 R179 L209 V212 F213	L171-L175 HydrophobicContact CD1-CD1 3.9Å; L171-L175 HydrophobicContact CD1-CG 4.33Å; L171-L175 HydrophobicContact CD2-CD1 4.48Å; L171-L175 HydrophobicContact CG-CD1 3.71Å; L171-L175 HydrophobicContact CG-CG 4.48Å; L171-L175 VanDerWaalsContact O-CB 3.26Å; L171-L175 WeakPolarHBondContact O-CB 3.32Å; L171-L175 WeakPolarHBondContact O-CD1 3.5Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 3.39Å; L175-F178 PolarHBondContact O-N 2.98Å; L175-R179 PolarHBondContact O-N 2.8Å; L175-R179 VanDerWaalsContact O-N 3.08Å; L175-L209 HydrophobicContact CD1-CD2 3.84Å; L175-L209 HydrophobicContact CD2-CD2 4.36Å; L175-V212 HydrophobicContact CB-CB 4.33Å; L175-V212 HydrophobicContact CB-CG1 3.42Å; L175-V212 VanDerWaalsContact CB-CG1 3.42Å; L175-V212 HydrophobicContact CB-CG2 4.05Å; L175-V212 HydrophobicContact CD1-CB 4.13Å; L175-V212 HydrophobicContact CD1-CG1 3.9Å; L175-V212 HydrophobicContact CD1-CG2 3.77Å; L175-V212 HydrophobicContact CD2-CG1 4.33Å; L175-V212 HydrophobicContact CG-CG1 4.08Å; L175-F213 HydrophobicContact CD2-CZ 4.4Å
176	Q	46	Very low	39.2	Very low	133 Å²	133	81.4 Å²	81.4	62%	0.621	42%	0.417	S	S	*	.	H	α-helix	trans	-63.3	-41.7	170	-81.6	-164.1	2.6	0	0	112.4	E172 R173 A174 F178 R179	E172-Q176 WeakPolarHBondContact O-CB 3.4Å; E172-Q176 WeakPolarHBondContact O-CG 3.17Å; E172-Q176 PolarHBondContact O-N 3.44Å; R173-Q176 PolarHBondContact O-N 3.05Å; A174-Q176 VanDerWaalsContact C-N 3.35Å; A174-Q176 PolarHBondContact O-N 3.42Å; Q176-F178 PolarHBondContact O-N 3.36Å; Q176-R179 WeakPolarHBondContact O-CB 3.23Å; Q176-R179 PolarHBondContact O-N 3.2Å
177	A	40.8	Very low	39.3	Very low	65 Å²	65	76.8 Å²	76.8	54%	0.537	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-30.6	175.6	0	0	0	0	0	112.1	R173 A174	R173-A177 WeakPolarHBondContact O-CB 3.43Å; R173-A177 PolarHBondContact O-N 3.04Å; A174-A177 WeakPolarHBondContact O-CB 3.35Å; A174-A177 PolarHBondContact O-N 2.92Å; A174-A177 VanDerWaalsContact O-N 3.14Å
178	F	37.8	Very low	39.6	Very low	36 Å²	36	74 Å²	74	16%	0.158	38%	0.375	C	S	.	.	H	α-helix	trans	-86.6	-12.5	-179.5	-65.1	-45	0	0	0	115.2	L40 F160 A174 L175 Q176 K180 S181 I184	L40-F178 HydrophobicContact CD2-CD1 4.29Å; L40-F178 HydrophobicContact CD2-CE1 3.21Å; L40-F178 HydrophobicContact CD2-CZ 3.4Å; L40-F178 HydrophobicContact CG-CZ 4.32Å; F160-F178 HydrophobicContact CE2-CE2 4.06Å; F160-F178 AromaticContact CZ-CE2 3.99Å; F160-F178 HydrophobicContact CZ-CE2 3.99Å; A174-F178 VanDerWaalsContact C-CD2 3.43Å; A174-F178 HydrophobicContact CB-CD2 4.34Å; A174-F178 HydrophobicContact CB-CE2 3.96Å; A174-F178 WeakPolarHBondContact O-CB 3.23Å; A174-F178 WeakPolarHBondContact O-CD2 3.37Å; A174-F178 WeakPolarHBondContact O-CG 3.29Å; A174-F178 PolarHBondContact O-N 2.69Å; L175-F178 PolarHBondContact O-N 2.98Å; Q176-F178 PolarHBondContact O-N 3.36Å; F178-K180 PolarHBondContact O-N 3.49Å; F178-S181 PolarHBondContact O-N 2.87Å; F178-I184 HydrophobicContact CB-CB 4.4Å; F178-I184 HydrophobicContact CB-CD1 4.29Å; F178-I184 HydrophobicContact CB-CG2 3.72Å; F178-I184 HydrophobicContact CD1-CD1 3.07Å; F178-I184 HydrophobicContact CD1-CG1 4.36Å; F178-I184 HydrophobicContact CD1-CG2 4.34Å; F178-I184 HydrophobicContact CE1-CD1 3.35Å; F178-I184 HydrophobicContact CG-CD1 3.83Å; F178-I184 HydrophobicContact CG-CG2 3.98Å; F178-I184 HydrophobicContact CZ-CD1 4.35Å
179	R	37.8	Very low	39.7	Very low	106 Å²	106	71.7 Å²	71.7	40%	0.4	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.8	-179.7	-171.5	169.3	161.8	-161.7	-10.5	114.4	L175 Q176 G215	L175-R179 PolarHBondContact O-N 2.8Å; L175-R179 VanDerWaalsContact O-N 3.08Å; Q176-R179 WeakPolarHBondContact O-CB 3.23Å; Q176-R179 PolarHBondContact O-N 3.2Å; R179-G215 PolarHBondContact NE-O 3.29Å; R179-G215 VanDerWaalsContact NE-O 3.08Å; R179-G215 PolarHBondContact NH2-O 2.99Å
180	K	41.9	Very low	39.5	Very low	197 Å²	197	72.4 Å²	72.4	86%	0.857	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-5.5	178.8	-63.7	-175.9	179.2	-179.2	0	114.5	F178	F178-K180 PolarHBondContact O-N 3.49Å
181	S	36.8	Very low	39.7	Very low	29 Å²	29	71 Å²	71	20%	0.203	36%	0.359	C	S	.	.			trans	-95.9	105.3	-174.4	177.5	0	0	0	0	111	F178 P183 I184 L185	F178-S181 PolarHBondContact O-N 2.87Å; S181-P183 VanDerWaalsContact C-CD 3.43Å; S181-P183 VanDerWaalsContact C-N 3.34Å; S181-P183 WeakPolarHBondContact OG-CD 3.17Å; S181-I184 PolarHBondContact O-N 2.94Å; S181-I184 WeakPolarHBondContact OG-CG1 3.3Å; S181-L185 WeakPolarHBondContact O-CG 3.15Å; S181-L185 PolarHBondContact O-N 2.86Å
182	T	36.3	Very low	39.8	Very low	96 Å²	96	70.1 Å²	70.1	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-52	-41.8	176.4	-36.2	0	0	0	0	114	I184 L185 K186	T182-I184 VanDerWaalsContact C-N 3.3Å; T182-I184 PolarHBondContact O-N 3.48Å; T182-L185 PolarHBondContact O-N 3.46Å; T182-K186 PolarHBondContact O-N 3.33Å; T182-K186 VanDerWaalsContact O-N 3.16Å
183	P	35.7	Very low	39.7	Very low	93 Å²	93	67 Å²	67	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-38.2	174.3	-23.3	33.2	0	0	0	113	S181 K186 A187	S181-P183 VanDerWaalsContact C-CD 3.43Å; S181-P183 VanDerWaalsContact C-N 3.34Å; S181-P183 WeakPolarHBondContact OG-CD 3.17Å; P183-K186 WeakPolarHBondContact O-CB 3.46Å; P183-K186 PolarHBondContact O-N 2.79Å; P183-A187 PolarHBondContact O-N 2.91Å; P183-A187 VanDerWaalsContact O-N 3.14Å
184	I	39	Very low	39.3	Very low	33 Å²	33	59.4 Å²	59.4	17%	0.169	31%	0.313	C	S	.	.	H	α-helix	trans	-79.3	-32.7	-177.9	-61.4	174.1	0	0	0	110.5	F178 S181 T182 K186 A187 I188 L191	F178-I184 HydrophobicContact CB-CB 4.4Å; F178-I184 HydrophobicContact CB-CD1 4.29Å; F178-I184 HydrophobicContact CB-CG2 3.72Å; F178-I184 HydrophobicContact CD1-CD1 3.07Å; F178-I184 HydrophobicContact CD1-CG1 4.36Å; F178-I184 HydrophobicContact CD1-CG2 4.34Å; F178-I184 HydrophobicContact CE1-CD1 3.35Å; F178-I184 HydrophobicContact CG-CD1 3.83Å; F178-I184 HydrophobicContact CG-CG2 3.98Å; F178-I184 HydrophobicContact CZ-CD1 4.35Å; S181-I184 PolarHBondContact O-N 2.94Å; S181-I184 WeakPolarHBondContact OG-CG1 3.3Å; T182-I184 VanDerWaalsContact C-N 3.3Å; T182-I184 PolarHBondContact O-N 3.48Å; I184-K186 PolarHBondContact O-N 3.49Å; I184-A187 CarbonylContact O-C 3.57Å; I184-A187 PolarHBondContact O-N 3.11Å; I184-A187 VanDerWaalsContact O-N 3.07Å; I184-I188 WeakPolarHBondContact O-CG1 3.21Å; I184-I188 PolarHBondContact O-N 2.8Å; I184-L191 HydrophobicContact CG2-CD1 4.01Å
185	L	38.1	Very low	39.5	Very low	34 Å²	34	59.3 Å²	59.3	18%	0.178	31%	0.311	C	S	.	.	H	α-helix	trans	-57.8	-35.6	168.7	-69.4	178	0	0	0	112.3	S181 T182 I188	S181-L185 WeakPolarHBondContact O-CG 3.15Å; S181-L185 PolarHBondContact O-N 2.86Å; T182-L185 PolarHBondContact O-N 3.46Å; L185-I188 HydrophobicContact CB-CD1 4.3Å; L185-I188 HydrophobicContact CD2-CD1 3.48Å; L185-I188 VanDerWaalsContact CD2-CD1 3.48Å; L185-I188 HydrophobicContact CG-CD1 4.44Å; L185-I188 WeakPolarHBondContact O-CB 3.28Å
186	K	38.8	Very low	39.4	Very low	166 Å²	166	58.8 Å²	58.8	72%	0.722	31%	0.308	S	S	*	.	H	α-helix	trans	-72.6	-32.6	173.9	-74	-179	176.4	-175.8	0	112.9	T182 P183 I184 I188 P189	T182-K186 PolarHBondContact O-N 3.33Å; T182-K186 VanDerWaalsContact O-N 3.16Å; P183-K186 WeakPolarHBondContact O-CB 3.46Å; P183-K186 PolarHBondContact O-N 2.79Å; I184-K186 PolarHBondContact O-N 3.49Å; K186-I188 VanDerWaalsContact C-N 3.32Å; K186-P189 WeakPolarHBondContact O-CD 3.23Å
187	A	36.7	Very low	38.9	Very low	16 Å²	16	55.2 Å²	55.2	13%	0.132	30%	0.302	C	S	.	.	H	α-helix	trans	-82.8	-2.5	175.9	0	0	0	0	0	113.6	P183 I184 D190 L191	P183-A187 PolarHBondContact O-N 2.91Å; P183-A187 VanDerWaalsContact O-N 3.14Å; I184-A187 CarbonylContact O-C 3.57Å; I184-A187 PolarHBondContact O-N 3.11Å; I184-A187 VanDerWaalsContact O-N 3.07Å; A187-D190 PolarHBondContact O-N 2.84Å; A187-L191 HydrophobicContact CB-CD1 4.18Å; A187-L191 HydrophobicContact CB-CG 4.4Å; A187-L191 WeakPolarHBondContact O-CB 3.45Å; A187-L191 VanDerWaalsContact O-CG 3.28Å; A187-L191 WeakPolarHBondContact O-CG 3.49Å; A187-L191 PolarHBondContact O-N 3.12Å
188	I	41	Very low	38.6	Very low	8 Å²	8	54.8 Å²	54.8	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-54.7	-47.1	179.9	-78.9	170.6	0	0	0	112.9	I184 L185 K186 D190 L191 T192 F213 V221	I184-I188 WeakPolarHBondContact O-CG1 3.21Å; I184-I188 PolarHBondContact O-N 2.8Å; L185-I188 HydrophobicContact CB-CD1 4.3Å; L185-I188 HydrophobicContact CD2-CD1 3.48Å; L185-I188 VanDerWaalsContact CD2-CD1 3.48Å; L185-I188 HydrophobicContact CG-CD1 4.44Å; L185-I188 WeakPolarHBondContact O-CB 3.28Å; K186-I188 VanDerWaalsContact C-N 3.32Å; I188-D190 VanDerWaalsContact C-N 3.3Å; I188-D190 PolarHBondContact O-N 3.45Å; I188-L191 PolarHBondContact O-N 2.7Å; I188-T192 VanDerWaalsContact O-CB 3.27Å; I188-T192 WeakPolarHBondContact O-CB 3.16Å; I188-T192 PolarHBondContact O-N 3.01Å; I188-T192 PolarHBondContact O-OG1 3.46Å; I188-F213 HydrophobicContact CB-CE1 4.16Å; I188-F213 HydrophobicContact CB-CZ 4.1Å; I188-F213 HydrophobicContact CD1-CD1 3.61Å; I188-F213 HydrophobicContact CD1-CE1 3.23Å; I188-F213 HydrophobicContact CD1-CZ 4.05Å; I188-F213 HydrophobicContact CG1-CD1 4.25Å; I188-F213 HydrophobicContact CG1-CE1 3.42Å; I188-F213 VanDerWaalsContact CG1-CE1 3.42Å; I188-F213 HydrophobicContact CG1-CZ 3.75Å; I188-F213 HydrophobicContact CG2-CD1 4.13Å; I188-F213 HydrophobicContact CG2-CD2 4.18Å; I188-F213 HydrophobicContact CG2-CE1 3.62Å; I188-F213 HydrophobicContact CG2-CE2 3.63Å; I188-F213 HydrophobicContact CG2-CG 4.43Å; I188-F213 HydrophobicContact CG2-CZ 3.34Å; I188-V221 HydrophobicContact CD1-CG2 4.46Å; I188-V221 HydrophobicContact CG2-CG1 4.31Å; I188-V221 HydrophobicContact CG2-CG2 4.05Å
189	P	38.5	Very low	38.7	Very low	66 Å²	66	54.3 Å²	54.3	43%	0.429	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-44.7	179.3	-24	35.5	0	0	0	111.4	K186 T192 L193	K186-P189 WeakPolarHBondContact O-CD 3.23Å; P189-T192 PolarHBondContact O-N 3.2Å; P189-L193 WeakPolarHBondContact O-CB 3.38Å; P189-L193 WeakPolarHBondContact O-CD1 3.49Å; P189-L193 WeakPolarHBondContact O-CG 3.11Å; P189-L193 PolarHBondContact O-N 3.38Å
190	D	37.4	Very low	38.8	Very low	52 Å²	52	58.5 Å²	58.5	28%	0.278	31%	0.313	S	S	.	.	H	α-helix	trans	-68.2	-40.3	179.9	-60.1	-34.5	0	0	0	112.4	F153 A187 I188 L193 A194	F153-D190 HydrophobicContact CE1-CB 4.41Å; F153-D190 WeakPolarHBondContact CE1-O 3.39Å; F153-D190 HydrophobicContact CE2-CB 4.07Å; F153-D190 HydrophobicContact CZ-CB 3.59Å; F153-D190 WeakPolarHBondContact CZ-O 3.11Å; A187-D190 PolarHBondContact O-N 2.84Å; I188-D190 VanDerWaalsContact C-N 3.3Å; I188-D190 PolarHBondContact O-N 3.45Å; D190-L193 WeakPolarHBondContact O-CB 3.26Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 3.26Å
191	L	41.9	Very low	39	Very low	44 Å²	44	53.2 Å²	53.2	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-66.8	-38.9	174.4	-73	170.7	0	0	0	111.4	V157 I184 A187 I188 A194 F195	V157-L191 HydrophobicContact CG2-CD2 4.44Å; I184-L191 HydrophobicContact CG2-CD1 4.01Å; A187-L191 HydrophobicContact CB-CD1 4.18Å; A187-L191 HydrophobicContact CB-CG 4.4Å; A187-L191 WeakPolarHBondContact O-CB 3.45Å; A187-L191 VanDerWaalsContact O-CG 3.28Å; A187-L191 WeakPolarHBondContact O-CG 3.49Å; A187-L191 PolarHBondContact O-N 3.12Å; I188-L191 PolarHBondContact O-N 2.7Å; L191-A194 PolarHBondContact O-N 3.07Å; L191-F195 HydrophobicContact CB-CD2 4.3Å; L191-F195 HydrophobicContact CB-CE2 3.96Å; L191-F195 WeakPolarHBondContact O-CB 3.11Å; L191-F195 WeakPolarHBondContact O-CD2 3.42Å; L191-F195 VanDerWaalsContact O-CG 3.31Å; L191-F195 WeakPolarHBondContact O-CG 3.41Å; L191-F195 PolarHBondContact O-N 3.34Å
192	T	42.6	Very low	39.4	Very low	3 Å²	3	52.5 Å²	52.5	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-49.3	177.2	-56.2	0	0	0	0	110.2	I188 P189 A194 F195 L196 L209 L226	I188-T192 VanDerWaalsContact O-CB 3.27Å; I188-T192 WeakPolarHBondContact O-CB 3.16Å; I188-T192 PolarHBondContact O-N 3.01Å; I188-T192 PolarHBondContact O-OG1 3.46Å; P189-T192 PolarHBondContact O-N 3.2Å; T192-A194 VanDerWaalsContact C-N 3.27Å; T192-A194 PolarHBondContact O-N 2.86Å; T192-F195 PolarHBondContact O-N 2.84Å; T192-F195 VanDerWaalsContact O-N 3.14Å; T192-L196 HydrophobicContact CG2-CD1 3.55Å; T192-L196 HydrophobicContact CG2-CG 4.08Å; T192-L196 WeakPolarHBondContact O-CB 3.46Å; T192-L196 WeakPolarHBondContact O-CD1 3.3Å; T192-L196 WeakPolarHBondContact O-CG 3.46Å; T192-L196 PolarHBondContact O-N 2.98Å; T192-L209 HydrophobicContact CG2-CD1 3.67Å; T192-L226 HydrophobicContact CG2-CB 4.49Å; T192-L226 HydrophobicContact CG2-CD2 3.31Å; T192-L226 HydrophobicContact CG2-CG 4.49Å; T192-L226 WeakPolarHBondContact OG1-CD2 3.32Å
193	L	39.2	Very low	39.7	Very low	45 Å²	45	49 Å²	49	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-50.7	-47.3	171.3	-79.8	161.6	0	0	0	111.7	P189 D190 L196 A197 E229 H233	P189-L193 WeakPolarHBondContact O-CB 3.38Å; P189-L193 WeakPolarHBondContact O-CD1 3.49Å; P189-L193 WeakPolarHBondContact O-CG 3.11Å; P189-L193 PolarHBondContact O-N 3.38Å; D190-L193 WeakPolarHBondContact O-CB 3.26Å; L193-L196 PolarHBondContact O-N 3.29Å; L193-A197 VanDerWaalsContact O-CB 3.23Å; L193-A197 WeakPolarHBondContact O-CB 3.43Å; L193-A197 PolarHBondContact O-N 3.23Å; L193-E229 HydrophobicContact CD2-CG 3.15Å; L193-E229 VanDerWaalsContact CD2-OE1 3.29Å; L193-E229 WeakPolarHBondContact CD2-OE1 3.22Å; L193-E229 HydrophobicContact CG-CG 3.77Å; L193-H233 VanDerWaalsContact CD2-NE2 3.28Å; L193-H233 WeakPolarHBondContact CD2-NE2 3.42Å
194	A	36.8	Very low	40.2	Very low	3 Å²	3	47 Å²	47	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-41.8	178.2	0	0	0	0	0	113.1	F153 V157 I161 D190 L191 T192 M198	F153-A194 HydrophobicContact CD1-CB 3.95Å; F153-A194 HydrophobicContact CE1-CB 3.83Å; V157-A194 HydrophobicContact CG1-CB 3.73Å; I161-A194 HydrophobicContact CD1-CB 4.1Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 3.26Å; L191-A194 PolarHBondContact O-N 3.07Å; T192-A194 VanDerWaalsContact C-N 3.27Å; T192-A194 PolarHBondContact O-N 2.86Å; A194-M198 HydrophobicContact CB-CE 3.94Å; A194-M198 WeakPolarHBondContact O-CB 3.46Å; A194-M198 WeakPolarHBondContact O-CE 3.48Å; A194-M198 PolarHBondContact O-N 3.3Å
195	F	43.3	Very low	40.6	Very low	7 Å²	7	46.9 Å²	46.9	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-41.1	178.1	-74.6	-54.2	0	0	0	111.8	F160 I161 L171 L191 T192 A199 T205 L209	F160-F195 AromaticContact CD1-CE1 3.67Å; F160-F195 HydrophobicContact CD1-CE1 3.67Å; F160-F195 AromaticContact CD1-CZ 3.56Å; F160-F195 HydrophobicContact CD1-CZ 3.56Å; F160-F195 AromaticContact CE1-CE1 3.82Å; F160-F195 HydrophobicContact CE1-CE1 3.82Å; F160-F195 AromaticContact CE1-CZ 3.41Å; F160-F195 HydrophobicContact CE1-CZ 3.41Å; F160-F195 VanDerWaalsContact CE1-CZ 3.41Å; I161-F195 HydrophobicContact CG1-CD1 3.99Å; I161-F195 HydrophobicContact CG1-CE1 3.94Å; L171-F195 HydrophobicContact CD1-CD1 4.19Å; L171-F195 HydrophobicContact CD1-CE1 3.71Å; L171-F195 HydrophobicContact CD1-CE2 4.34Å; L171-F195 HydrophobicContact CD1-CZ 3.84Å; L191-F195 HydrophobicContact CB-CD2 4.3Å; L191-F195 HydrophobicContact CB-CE2 3.96Å; L191-F195 WeakPolarHBondContact O-CB 3.11Å; L191-F195 WeakPolarHBondContact O-CD2 3.42Å; L191-F195 VanDerWaalsContact O-CG 3.31Å; L191-F195 WeakPolarHBondContact O-CG 3.41Å; L191-F195 PolarHBondContact O-N 3.34Å; T192-F195 PolarHBondContact O-N 2.84Å; T192-F195 VanDerWaalsContact O-N 3.14Å; F195-A199 VanDerWaalsContact O-CB 3.26Å; F195-A199 WeakPolarHBondContact O-CB 3.42Å; F195-A199 PolarHBondContact O-N 3.41Å; F195-T205 HydrophobicContact CB-CG2 3.8Å; F195-L209 HydrophobicContact CB-CD1 3.76Å; F195-L209 HydrophobicContact CD2-CD1 4.18Å; F195-L209 HydrophobicContact CD2-CD2 3.74Å; F195-L209 HydrophobicContact CE2-CD2 4.31Å; F195-L209 HydrophobicContact CG-CD1 4.35Å; F195-L209 HydrophobicContact CG-CD2 4.44Å
196	L	41.2	Very low	41.1	Very low	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-46.8	178.4	-68.1	169.8	0	0	0	111.6	T192 L193 M198 P202 A206 E229 A230 H233	T192-L196 HydrophobicContact CG2-CD1 3.55Å; T192-L196 HydrophobicContact CG2-CG 4.08Å; T192-L196 WeakPolarHBondContact O-CB 3.46Å; T192-L196 WeakPolarHBondContact O-CD1 3.3Å; T192-L196 WeakPolarHBondContact O-CG 3.46Å; T192-L196 PolarHBondContact O-N 2.98Å; L193-L196 PolarHBondContact O-N 3.29Å; L196-M198 PolarHBondContact O-N 3.4Å; L196-M198 VanDerWaalsContact O-N 3.15Å; L196-P202 WeakPolarHBondContact CD2-O 3.33Å; L196-A206 HydrophobicContact CD2-CB 3.6Å; L196-E229 HydrophobicContact CD1-CB 3.85Å; L196-E229 HydrophobicContact CD1-CG 4.41Å; L196-A230 HydrophobicContact CD1-CB 3.98Å; L196-A230 VanDerWaalsContact CD1-N 3.35Å; L196-A230 HydrophobicContact CD2-CB 3.49Å; L196-A230 VanDerWaalsContact CD2-CB 3.49Å; L196-A230 HydrophobicContact CG-CB 4.31Å; L196-H233 HydrophobicContact CB-CB 4.35Å
197	A	35.2	Very low	41.5	Very low	59 Å²	59	39.3 Å²	39.3	49%	0.488	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-13.8	-180	0	0	0	0	0	114.6	L193	L193-A197 VanDerWaalsContact O-CB 3.23Å; L193-A197 WeakPolarHBondContact O-CB 3.43Å; L193-A197 PolarHBondContact O-N 3.23Å
198	M	34.6	Very low	41.9	Very low	56 Å²	56	39.8 Å²	39.8	28%	0.276	23%	0.232	S	C	.	.	H	α-helix	trans	-122.4	-0.6	-176.3	-63.8	-172.9	-114.2	0	0	114.4	V157 R158 I161 K165 A194 L196	V157-M198 HydrophobicContact CG1-CE 4.23Å; R158-M198 HydrophobicContact CG-SD 4.4Å; I161-M198 HydrophobicContact CB-SD 4.31Å; I161-M198 HydrophobicContact CD1-CB 4.28Å; I161-M198 HydrophobicContact CD1-CE 3.04Å; I161-M198 HydrophobicContact CD1-CG 4.29Å; I161-M198 HydrophobicContact CD1-SD 3.4Å; I161-M198 WeakPolarHBondContact CD1-SD 3.23Å; I161-M198 HydrophobicContact CG1-CE 4.47Å; I161-M198 HydrophobicContact CG1-SD 4.43Å; I161-M198 HydrophobicContact CG2-CB 3.57Å; I161-M198 HydrophobicContact CG2-CG 4.3Å; I161-M198 HydrophobicContact CG2-SD 3.79Å; K165-M198 WeakPolarHBondContact CE-O 3.4Å; A194-M198 HydrophobicContact CB-CE 3.94Å; A194-M198 WeakPolarHBondContact O-CB 3.46Å; A194-M198 WeakPolarHBondContact O-CE 3.48Å; A194-M198 PolarHBondContact O-N 3.3Å; L196-M198 PolarHBondContact O-N 3.4Å; L196-M198 VanDerWaalsContact O-N 3.15Å
199	A	40.3	Very low	42.4	Very low	25 Å²	25	39.4 Å²	39.4	21%	0.207	23%	0.23	C	C	.	.			trans	-71.8	140.3	176.9	0	0	0	0	0	110.9	F195 N201 T205	F195-A199 VanDerWaalsContact O-CB 3.26Å; F195-A199 WeakPolarHBondContact O-CB 3.42Å; F195-A199 PolarHBondContact O-N 3.41Å; A199-N201 WeakPolarHBondContact CB-O 3.24Å; A199-N201 PolarHBondContact O-N 3.27Å; A199-T205 HydrophobicContact CB-CG2 4.12Å; A199-T205 WeakPolarHBondContact CB-OG1 3.24Å
200	K	39.2	Very low	42.9	Very low	195 Å²	195	36.3 Å²	36.3	85%	0.848	21%	0.21	S	C	*	.	S	Bend	trans	-63.8	-23.5	164.8	-73.3	-171.5	173.9	-172.7	0	112
201	N	46.2	Very low	43.4	Very low	85 Å²	85	41.8 Å²	41.8	46%	0.455	23%	0.231	S	C	.	.	S	Bend	trans	-138.2	90.2	175.5	-172.9	-31.6	0	0	0	107.6	A199 V203 A204 T205	A199-N201 WeakPolarHBondContact CB-O 3.24Å; A199-N201 PolarHBondContact O-N 3.27Å; N201-V203 PolarHBondContact O-N 2.73Å; N201-V203 WeakPolarHBondContact OD1-CB 3.36Å; N201-V203 PolarHBondContact OD1-N 3.47Å; N201-A204 HydrophobicContact CB-CB 4Å; N201-A204 PolarHBondContact O-N 2.84Å; N201-A204 PolarHBondContact OD1-N 3.35Å; N201-T205 WeakPolarHBondContact O-CB 3.4Å; N201-T205 PolarHBondContact O-N 2.87Å; N201-T205 VanDerWaalsContact O-N 3.1Å; N201-T205 PolarHBondContact O-OG1 2.91Å
202	P	44.6	Very low	43.6	Very low	14 Å²	14	41 Å²	41	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-56.6	-35.2	179.8	18.4	-30.1	0	0	0	112	L196 T205 A206 V234	L196-P202 WeakPolarHBondContact CD2-O 3.33Å; P202-T205 PolarHBondContact O-N 3.16Å; P202-A206 WeakPolarHBondContact O-CB 3.29Å; P202-A206 PolarHBondContact O-N 3.39Å; P202-V234 HydrophobicContact CB-CG2 4.44Å; P202-V234 HydrophobicContact CG-CB 4.48Å; P202-V234 HydrophobicContact CG-CG2 4Å
203	V	43.8	Very low	44	Very low	22 Å²	22	41.8 Å²	41.8	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-54.1	178.2	176.7	0	0	0	0	111.5	N201 T205 A206 F207 V234 I275 I279	N201-V203 PolarHBondContact O-N 2.73Å; N201-V203 WeakPolarHBondContact OD1-CB 3.36Å; N201-V203 PolarHBondContact OD1-N 3.47Å; V203-T205 PolarHBondContact O-N 3.37Å; V203-A206 VanDerWaalsContact O-CB 3.27Å; V203-A206 WeakPolarHBondContact O-CB 3.35Å; V203-A206 PolarHBondContact O-N 3.31Å; V203-A206 VanDerWaalsContact O-N 3.11Å; V203-F207 HydrophobicContact CG1-CD2 3.85Å; V203-F207 HydrophobicContact CG1-CE2 3.67Å; V203-F207 VanDerWaalsContact O-CD2 3.22Å; V203-F207 WeakPolarHBondContact O-CD2 3.34Å; V203-F207 PolarHBondContact O-N 3.1Å; V203-V234 HydrophobicContact CG2-CG2 4.19Å; V203-I275 HydrophobicContact CB-CG2 4.25Å; V203-I275 HydrophobicContact CG1-CG2 3.36Å; V203-I275 HydrophobicContact CG2-CG2 3.83Å; V203-I279 HydrophobicContact CG1-CD1 4.23Å
204	A	45.4	Very low	44.2	Very low	53 Å²	53	43.5 Å²	43.5	44%	0.438	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-33	178.3	0	0	0	0	0	112.4	N201 F207 G208	N201-A204 HydrophobicContact CB-CB 4Å; N201-A204 PolarHBondContact O-N 2.84Å; N201-A204 PolarHBondContact OD1-N 3.35Å; A204-F207 PolarHBondContact O-N 3.23Å; A204-G208 PolarHBondContact O-N 2.92Å
205	T	47.7	Very low	44.4	Very low	29 Å²	29	44.8 Å²	44.8	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-71.9	-39.9	176.8	-56.1	0	0	0	0	111.5	F195 A199 N201 P202 V203 F207 G208 L209	F195-T205 HydrophobicContact CB-CG2 3.8Å; A199-T205 HydrophobicContact CB-CG2 4.12Å; A199-T205 WeakPolarHBondContact CB-OG1 3.24Å; N201-T205 WeakPolarHBondContact O-CB 3.4Å; N201-T205 PolarHBondContact O-N 2.87Å; N201-T205 VanDerWaalsContact O-N 3.1Å; N201-T205 PolarHBondContact O-OG1 2.91Å; P202-T205 PolarHBondContact O-N 3.16Å; V203-T205 PolarHBondContact O-N 3.37Å; T205-F207 VanDerWaalsContact C-N 3.33Å; T205-F207 PolarHBondContact O-N 2.96Å; T205-G208 PolarHBondContact O-N 3.11Å; T205-L209 HydrophobicContact CG2-CD1 4.02Å; T205-L209 HydrophobicContact CG2-CG 4.49Å; T205-L209 WeakPolarHBondContact O-CB 3.36Å; T205-L209 WeakPolarHBondContact O-CD1 3.24Å; T205-L209 WeakPolarHBondContact O-CG 3.28Å; T205-L209 PolarHBondContact O-N 2.88Å
206	A	48.1	Very low	44.3	Very low	0 Å²	0	45 Å²	45	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-46.5	171	0	0	0	0	0	111.6	L196 P202 V203 L209 A210 L227 A230	L196-A206 HydrophobicContact CD2-CB 3.6Å; P202-A206 WeakPolarHBondContact O-CB 3.29Å; P202-A206 PolarHBondContact O-N 3.39Å; V203-A206 VanDerWaalsContact O-CB 3.27Å; V203-A206 WeakPolarHBondContact O-CB 3.35Å; V203-A206 PolarHBondContact O-N 3.31Å; V203-A206 VanDerWaalsContact O-N 3.11Å; A206-L209 PolarHBondContact O-N 3.38Å; A206-A210 WeakPolarHBondContact O-CB 3.36Å; A206-A210 PolarHBondContact O-N 3.08Å; A206-L227 HydrophobicContact CB-CD2 4.06Å; A206-A230 HydrophobicContact CB-CB 3.32Å
207	F	47	Very low	44.1	Very low	41 Å²	41	49.6 Å²	49.6	18%	0.18	30%	0.298	C	S	.	.	H	α-helix	trans	-64.8	-41.1	177.1	-82.1	-72.3	0	0	0	112.8	V203 A204 T205 A210 K211 Y223 L227 M276 I279	V203-F207 HydrophobicContact CG1-CD2 3.85Å; V203-F207 HydrophobicContact CG1-CE2 3.67Å; V203-F207 VanDerWaalsContact O-CD2 3.22Å; V203-F207 WeakPolarHBondContact O-CD2 3.34Å; V203-F207 PolarHBondContact O-N 3.1Å; A204-F207 PolarHBondContact O-N 3.23Å; T205-F207 VanDerWaalsContact C-N 3.33Å; T205-F207 PolarHBondContact O-N 2.96Å; F207-A210 PolarHBondContact O-N 2.95Å; F207-K211 PolarHBondContact O-N 3.45Å; F207-Y223 WeakPolarHBondContact CD1-OH 3.03Å; F207-Y223 WeakPolarHBondContact CE1-OH 3.16Å; F207-L227 HydrophobicContact CE2-CD2 4.4Å; F207-L227 HydrophobicContact CZ-CD2 4.29Å; F207-M276 HydrophobicContact CZ-CG 3.86Å; F207-I279 HydrophobicContact CD2-CD1 4.24Å; F207-I279 HydrophobicContact CE2-CD1 3.82Å
208	G	46.7	Very low	44.5	Very low	27 Å²	27	51 Å²	51	28%	0.278	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-43.9	175.2	0	0	0	0	0	112.4	A204 T205 K211 V212	A204-G208 PolarHBondContact O-N 2.92Å; T205-G208 PolarHBondContact O-N 3.11Å; G208-K211 PolarHBondContact O-N 2.93Å; G208-V212 WeakPolarHBondContact O-CG2 3.16Å; G208-V212 PolarHBondContact O-N 3.43Å; G208-V212 VanDerWaalsContact O-N 3.15Å
209	L	50.8	Low	45	Very low	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-44	173.5	-71.6	168.2	0	0	0	111.1	L175 T192 F195 T205 A206 K211 V212 F213	L175-L209 HydrophobicContact CD1-CD2 3.84Å; L175-L209 HydrophobicContact CD2-CD2 4.36Å; T192-L209 HydrophobicContact CG2-CD1 3.67Å; F195-L209 HydrophobicContact CB-CD1 3.76Å; F195-L209 HydrophobicContact CD2-CD1 4.18Å; F195-L209 HydrophobicContact CD2-CD2 3.74Å; F195-L209 HydrophobicContact CE2-CD2 4.31Å; F195-L209 HydrophobicContact CG-CD1 4.35Å; F195-L209 HydrophobicContact CG-CD2 4.44Å; T205-L209 HydrophobicContact CG2-CD1 4.02Å; T205-L209 HydrophobicContact CG2-CG 4.49Å; T205-L209 WeakPolarHBondContact O-CB 3.36Å; T205-L209 WeakPolarHBondContact O-CD1 3.24Å; T205-L209 WeakPolarHBondContact O-CG 3.28Å; T205-L209 PolarHBondContact O-N 2.88Å; A206-L209 PolarHBondContact O-N 3.38Å; L209-K211 PolarHBondContact O-N 3.16Å; L209-V212 WeakPolarHBondContact O-CB 3.4Å; L209-V212 PolarHBondContact O-N 3.15Å; L209-F213 VanDerWaalsContact C-CD2 3.48Å; L209-F213 HydrophobicContact CB-CD2 4.03Å; L209-F213 HydrophobicContact CB-CE2 3.74Å; L209-F213 HydrophobicContact CD2-CE2 3.81Å; L209-F213 HydrophobicContact CD2-CZ 4.09Å; L209-F213 HydrophobicContact CG-CE2 4.32Å; L209-F213 WeakPolarHBondContact O-CB 3.14Å; L209-F213 WeakPolarHBondContact O-CD2 3.5Å; L209-F213 WeakPolarHBondContact O-CG 3.4Å; L209-F213 PolarHBondContact O-N 3.45Å
210	A	48.6	Very low	45.1	Very low	1 Å²	1	67.7 Å²	67.7	1%	0.008	36%	0.357	C	S	.	.	H	α-helix	trans	-67	-36.1	-179.8	0	0	0	0	0	112.9	A206 F207 F213 A214 Y223 L226	A206-A210 WeakPolarHBondContact O-CB 3.36Å; A206-A210 PolarHBondContact O-N 3.08Å; F207-A210 PolarHBondContact O-N 2.95Å; A210-F213 PolarHBondContact O-N 3.24Å; A210-A214 WeakPolarHBondContact O-CB 3.25Å; A210-A214 PolarHBondContact O-N 3.31Å; A210-Y223 HydrophobicContact CB-CD2 3.57Å; A210-Y223 HydrophobicContact CB-CE2 3.29Å; A210-L226 HydrophobicContact CB-CD1 3.97Å
211	K	48.8	Very low	45.3	Very low	166 Å²	166	60.8 Å²	60.8	72%	0.722	33%	0.331	S	S	*	.	H	α-helix	trans	-61.7	-43.8	170.5	-84.4	-177.4	177	176.9	0	112	F207 G208 L209 G215	F207-K211 PolarHBondContact O-N 3.45Å; G208-K211 PolarHBondContact O-N 2.93Å; L209-K211 PolarHBondContact O-N 3.16Å; K211-G215 PolarHBondContact O-N 2.95Å
212	V	46	Very low	45.3	Very low	27 Å²	27	63.9 Å²	63.9	16%	0.164	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-43.4	176.7	162.2	0	0	0	0	111.3	L175 G208 L209 G215	L175-V212 HydrophobicContact CB-CB 4.33Å; L175-V212 HydrophobicContact CB-CG1 3.42Å; L175-V212 VanDerWaalsContact CB-CG1 3.42Å; L175-V212 HydrophobicContact CB-CG2 4.05Å; L175-V212 HydrophobicContact CD1-CB 4.13Å; L175-V212 HydrophobicContact CD1-CG1 3.9Å; L175-V212 HydrophobicContact CD1-CG2 3.77Å; L175-V212 HydrophobicContact CD2-CG1 4.33Å; L175-V212 HydrophobicContact CG-CG1 4.08Å; G208-V212 WeakPolarHBondContact O-CG2 3.16Å; G208-V212 PolarHBondContact O-N 3.43Å; G208-V212 VanDerWaalsContact O-N 3.15Å; L209-V212 WeakPolarHBondContact O-CB 3.4Å; L209-V212 PolarHBondContact O-N 3.15Å; V212-G215 PolarHBondContact O-N 3.48Å
213	F	49.4	Very low	45	Very low	20 Å²	20	68.2 Å²	68.2	9%	0.088	36%	0.356	C	S	.	.	H	α-helix	trans	-79.5	-31.9	-175.8	-64.2	-45.8	0	0	0	113.3	L175 I188 L209 A210 G215 S216 L226	L175-F213 HydrophobicContact CD2-CZ 4.4Å; I188-F213 HydrophobicContact CB-CE1 4.16Å; I188-F213 HydrophobicContact CB-CZ 4.1Å; I188-F213 HydrophobicContact CD1-CD1 3.61Å; I188-F213 HydrophobicContact CD1-CE1 3.23Å; I188-F213 HydrophobicContact CD1-CZ 4.05Å; I188-F213 HydrophobicContact CG1-CD1 4.25Å; I188-F213 HydrophobicContact CG1-CE1 3.42Å; I188-F213 VanDerWaalsContact CG1-CE1 3.42Å; I188-F213 HydrophobicContact CG1-CZ 3.75Å; I188-F213 HydrophobicContact CG2-CD1 4.13Å; I188-F213 HydrophobicContact CG2-CD2 4.18Å; I188-F213 HydrophobicContact CG2-CE1 3.62Å; I188-F213 HydrophobicContact CG2-CE2 3.63Å; I188-F213 HydrophobicContact CG2-CG 4.43Å; I188-F213 HydrophobicContact CG2-CZ 3.34Å; L209-F213 VanDerWaalsContact C-CD2 3.48Å; L209-F213 HydrophobicContact CB-CD2 4.03Å; L209-F213 HydrophobicContact CB-CE2 3.74Å; L209-F213 HydrophobicContact CD2-CE2 3.81Å; L209-F213 HydrophobicContact CD2-CZ 4.09Å; L209-F213 HydrophobicContact CG-CE2 4.32Å; L209-F213 WeakPolarHBondContact O-CB 3.14Å; L209-F213 WeakPolarHBondContact O-CD2 3.5Å; L209-F213 WeakPolarHBondContact O-CG 3.4Å; L209-F213 PolarHBondContact O-N 3.45Å; A210-F213 PolarHBondContact O-N 3.24Å; F213-G215 PolarHBondContact O-N 3.4Å; F213-S216 VanDerWaalsContact O-CB 3.27Å; F213-S216 WeakPolarHBondContact O-CB 3.21Å; F213-S216 PolarHBondContact O-N 3Å; F213-L226 HydrophobicContact CB-CD1 4.1Å; F213-L226 HydrophobicContact CD2-CD1 3.54Å; F213-L226 HydrophobicContact CD2-CD2 3.73Å; F213-L226 HydrophobicContact CD2-CG 4.31Å; F213-L226 HydrophobicContact CE2-CD1 4.46Å; F213-L226 HydrophobicContact CE2-CD2 3.87Å; F213-L226 HydrophobicContact CG-CD1 4.26Å
214	A	43.6	Very low	44.8	Very low	81 Å²	81	70.2 Å²	70.2	67%	0.669	37%	0.368	S	S	*	.	H	α-helix	trans	-61	-27.3	169.5	0	0	0	0	0	112.1	A210	A210-A214 WeakPolarHBondContact O-CB 3.25Å; A210-A214 PolarHBondContact O-N 3.31Å
215	G	41.6	Very low	44.9	Very low	31 Å²	31	70.8 Å²	70.8	32%	0.32	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.2	170.6	0	0	0	0	0	114	R179 K211 V212 F213	R179-G215 PolarHBondContact NE-O 3.29Å; R179-G215 VanDerWaalsContact NE-O 3.08Å; R179-G215 PolarHBondContact NH2-O 2.99Å; K211-G215 PolarHBondContact O-N 2.95Å; V212-G215 PolarHBondContact O-N 3.48Å; F213-G215 PolarHBondContact O-N 3.4Å
216	S	41.1	Very low	44.8	Very low	11 Å²	11	69.7 Å²	69.7	8%	0.077	36%	0.359	C	S	.	.			trans	-63.1	133	-170.6	-173.4	0	0	0	0	113.1	F213 N218	F213-S216 VanDerWaalsContact O-CB 3.27Å; F213-S216 WeakPolarHBondContact O-CB 3.21Å; F213-S216 PolarHBondContact O-N 3Å; S216-N218 PolarHBondContact O-N 3.25Å; S216-N218 VanDerWaalsContact O-N 3.1Å
217	P	38	Very low	44.5	Very low	98 Å²	98	70.2 Å²	70.2	64%	0.636	36%	0.362	S	S	*	.	S	Bend	trans	-62.3	-17	176.6	25	-33.4	0	0	0	113.3
218	N	43.7	Very low	44.5	Very low	90 Å²	90	69.8 Å²	69.8	48%	0.481	36%	0.361	S	S	.	.	S	Bend	trans	-101.4	82.5	174.3	-76.5	-30.7	0	0	0	109.9	S216 K220	S216-N218 PolarHBondContact O-N 3.25Å; S216-N218 VanDerWaalsContact O-N 3.1Å; N218-K220 PolarHBondContact O-N 2.73Å
219	R	44.8	Very low	44.4	Very low	242 Å²	242	70 Å²	70	91%	0.913	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	34.8	178.6	-63.6	-176.3	177.1	179.9	-0.5	116
220	K	42.1	Very low	44	Very low	189 Å²	189	70.2 Å²	70.2	82%	0.822	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-12.9	-172.3	-68.6	-168.7	176.9	-174.4	0	114.3	N218	N218-K220 PolarHBondContact O-N 2.73Å
221	V	42.5	Very low	43.8	Very low	49 Å²	49	70.3 Å²	70.3	30%	0.297	36%	0.357	S	S	.	.	S	Bend	trans	-92.9	105.3	173.4	-175	0	0	0	0	107.5	I188 Y223 L226	I188-V221 HydrophobicContact CD1-CG2 4.46Å; I188-V221 HydrophobicContact CG2-CG1 4.31Å; I188-V221 HydrophobicContact CG2-CG2 4.05Å; V221-Y223 PolarHBondContact O-N 3Å; V221-L226 HydrophobicContact CG1-CD1 3.99Å; V221-L226 HydrophobicContact CG1-CD2 3.96Å; V221-L226 HydrophobicContact CG1-CG 3.92Å
222	K	46.9	Very low	43.6	Very low	150 Å²	150	67.7 Å²	67.7	65%	0.652	34%	0.343	S	S	*	.			trans	-66.9	129.4	177.2	-72.5	-175.6	177.4	-179.3	0	108.6	T224 T225	K222-T224 WeakPolarHBondContact CB-OG1 3.43Å; K222-T224 PolarHBondContact O-N 3.07Å; K222-T224 VanDerWaalsContact O-N 3.13Å; K222-T225 WeakPolarHBondContact O-CB 3.28Å; K222-T225 PolarHBondContact O-N 3.1Å
223	Y	39	Very low	43.6	Very low	105 Å²	105	70 Å²	70	41%	0.412	35%	0.351	S	S	.	.	H	α-helix	trans	-48.1	-37.4	174.1	-169.2	-97.4	0	0	0	112.1	F207 A210 V221 T225 L226 L227	F207-Y223 WeakPolarHBondContact CD1-OH 3.03Å; F207-Y223 WeakPolarHBondContact CE1-OH 3.16Å; A210-Y223 HydrophobicContact CB-CD2 3.57Å; A210-Y223 HydrophobicContact CB-CE2 3.29Å; V221-Y223 PolarHBondContact O-N 3Å; Y223-T225 VanDerWaalsContact C-N 3.35Å; Y223-T225 PolarHBondContact O-N 3.48Å; Y223-L226 PolarHBondContact O-N 3.45Å; Y223-L227 HydrophobicContact CD1-CD1 3.58Å; Y223-L227 HydrophobicContact CD1-CG 4.42Å; Y223-L227 HydrophobicContact CE1-CD1 3.22Å; Y223-L227 HydrophobicContact CE1-CG 4.22Å; Y223-L227 PolarHBondContact O-N 2.73Å
224	T	38.7	Very low	43.2	Very low	65 Å²	65	69.4 Å²	69.4	40%	0.399	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-40.5	175.9	59.3	0	0	0	0	112.6	K222 L226 L227 E228	K222-T224 WeakPolarHBondContact CB-OG1 3.43Å; K222-T224 PolarHBondContact O-N 3.07Å; K222-T224 VanDerWaalsContact O-N 3.13Å; T224-L226 VanDerWaalsContact C-N 3.31Å; T224-L226 PolarHBondContact O-N 2.99Å; T224-L227 PolarHBondContact O-N 3.41Å; T224-E228 VanDerWaalsContact O-CB 3.25Å; T224-E228 WeakPolarHBondContact O-CB 3.34Å; T224-E228 WeakPolarHBondContact O-CG 3.05Å; T224-E228 PolarHBondContact O-N 3.45Å
225	T	47.1	Very low	43.3	Very low	65 Å²	65	69.7 Å²	69.7	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-65.4	-34	-180	-51.2	0	0	0	0	112.2	K222 Y223 E229	K222-T225 WeakPolarHBondContact O-CB 3.28Å; K222-T225 PolarHBondContact O-N 3.1Å; Y223-T225 VanDerWaalsContact C-N 3.35Å; Y223-T225 PolarHBondContact O-N 3.48Å; T225-E229 WeakPolarHBondContact O-CB 3.49Å; T225-E229 PolarHBondContact O-N 3.25Å
226	L	45.6	Very low	43.5	Very low	6 Å²	6	69.5 Å²	69.5	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-73.9	-35.9	178.7	-60.6	163.8	0	0	0	111.7	T192 A210 F213 V221 Y223 T224 A230	T192-L226 HydrophobicContact CG2-CB 4.49Å; T192-L226 HydrophobicContact CG2-CD2 3.31Å; T192-L226 HydrophobicContact CG2-CG 4.49Å; T192-L226 WeakPolarHBondContact OG1-CD2 3.32Å; A210-L226 HydrophobicContact CB-CD1 3.97Å; F213-L226 HydrophobicContact CB-CD1 4.1Å; F213-L226 HydrophobicContact CD2-CD1 3.54Å; F213-L226 HydrophobicContact CD2-CD2 3.73Å; F213-L226 HydrophobicContact CD2-CG 4.31Å; F213-L226 HydrophobicContact CE2-CD1 4.46Å; F213-L226 HydrophobicContact CE2-CD2 3.87Å; F213-L226 HydrophobicContact CG-CD1 4.26Å; V221-L226 HydrophobicContact CG1-CD1 3.99Å; V221-L226 HydrophobicContact CG1-CD2 3.96Å; V221-L226 HydrophobicContact CG1-CG 3.92Å; Y223-L226 PolarHBondContact O-N 3.45Å; T224-L226 VanDerWaalsContact C-N 3.31Å; T224-L226 PolarHBondContact O-N 2.99Å; L226-A230 WeakPolarHBondContact O-CB 3.47Å; L226-A230 PolarHBondContact O-N 3.15Å; L226-A230 VanDerWaalsContact O-N 3.09Å
227	L	42.7	Very low	43.5	Very low	11 Å²	11	74.8 Å²	74.8	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-79.4	-38	178.6	-72.6	176.6	0	0	0	112.8	A206 F207 Y223 T224 E229 A230 A231 L272	A206-L227 HydrophobicContact CB-CD2 4.06Å; F207-L227 HydrophobicContact CE2-CD2 4.4Å; F207-L227 HydrophobicContact CZ-CD2 4.29Å; Y223-L227 HydrophobicContact CD1-CD1 3.58Å; Y223-L227 HydrophobicContact CD1-CG 4.42Å; Y223-L227 HydrophobicContact CE1-CD1 3.22Å; Y223-L227 HydrophobicContact CE1-CG 4.22Å; Y223-L227 PolarHBondContact O-N 2.73Å; T224-L227 PolarHBondContact O-N 3.41Å; L227-E229 VanDerWaalsContact C-N 3.28Å; L227-E229 PolarHBondContact O-N 2.83Å; L227-A230 WeakPolarHBondContact O-CB 3.08Å; L227-A230 PolarHBondContact O-N 2.93Å; L227-A231 WeakPolarHBondContact O-CB 3.45Å; L227-A231 PolarHBondContact O-N 3.18Å; L227-L272 HydrophobicContact CB-CD1 4.42Å; L227-L272 HydrophobicContact CD1-CD2 3.56Å; L227-L272 HydrophobicContact CD1-CG 4.13Å
228	E	46.1	Very low	43.9	Very low	31 Å²	31	74.7 Å²	74.7	15%	0.145	35%	0.349	C	S	.	.	H	α-helix	trans	-58.9	-42.9	171.6	-76.7	164.7	-167.1	0	0	110.7	T224 A231 R232 L266 V267	T224-E228 VanDerWaalsContact O-CB 3.25Å; T224-E228 WeakPolarHBondContact O-CB 3.34Å; T224-E228 WeakPolarHBondContact O-CG 3.05Å; T224-E228 PolarHBondContact O-N 3.45Å; E228-A231 PolarHBondContact O-N 2.85Å; E228-R232 WeakPolarHBondContact O-CG 3.32Å; E228-R232 PolarHBondContact O-N 3.45Å; E228-R232 VanDerWaalsContact O-N 3.1Å; E228-L266 WeakPolarHBondContact OE1-CD2 3.46Å; E228-V267 HydrophobicContact CB-CG2 4.37Å; E228-V267 HydrophobicContact CG-CB 4.22Å; E228-V267 HydrophobicContact CG-CG2 4.09Å
229	E	45.8	Very low	43.8	Very low	33 Å²	33	71.5 Å²	71.5	15%	0.154	33%	0.333	C	S	.	.	H	α-helix	trans	-72.7	-33.6	178.6	-142.6	61.5	-144.2	0	0	112.4	L193 L196 T225 L227 R232 H233	L193-E229 HydrophobicContact CD2-CG 3.15Å; L193-E229 VanDerWaalsContact CD2-OE1 3.29Å; L193-E229 WeakPolarHBondContact CD2-OE1 3.22Å; L193-E229 HydrophobicContact CG-CG 3.77Å; L196-E229 HydrophobicContact CD1-CB 3.85Å; L196-E229 HydrophobicContact CD1-CG 4.41Å; T225-E229 WeakPolarHBondContact O-CB 3.49Å; T225-E229 PolarHBondContact O-N 3.25Å; L227-E229 VanDerWaalsContact C-N 3.28Å; L227-E229 PolarHBondContact O-N 2.83Å; E229-R232 PolarHBondContact O-N 3.36Å; E229-R232 IonicContact OE1-CZ 3.91Å; E229-R232 IonicContact OE1-NH1 2.95Å; E229-R232 PolarHBondContact OE1-NH1 2.67Å; E229-R232 IonicContact OE2-CZ 3.44Å; E229-R232 IonicContact OE2-NH1 2.69Å; E229-R232 PolarHBondContact OE2-NH1 2.84Å; E229-H233 PolarHBondContact O-CD2 3.36Å; E229-H233 PolarHBondContact O-N 3.38Å
230	A	43.1	Very low	43.7	Very low	3 Å²	3	63.4 Å²	63.4	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-46.9	173	0	0	0	0	0	111	L196 A206 L226 L227 R232 H233 V234	L196-A230 HydrophobicContact CD1-CB 3.98Å; L196-A230 VanDerWaalsContact CD1-N 3.35Å; L196-A230 HydrophobicContact CD2-CB 3.49Å; L196-A230 VanDerWaalsContact CD2-CB 3.49Å; L196-A230 HydrophobicContact CG-CB 4.31Å; A206-A230 HydrophobicContact CB-CB 3.32Å; L226-A230 WeakPolarHBondContact O-CB 3.47Å; L226-A230 PolarHBondContact O-N 3.15Å; L226-A230 VanDerWaalsContact O-N 3.09Å; L227-A230 WeakPolarHBondContact O-CB 3.08Å; L227-A230 PolarHBondContact O-N 2.93Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 2.99Å; A230-H233 PolarHBondContact O-N 2.96Å; A230-H233 VanDerWaalsContact O-N 3.11Å; A230-V234 WeakPolarHBondContact O-CG2 2.87Å; A230-V234 PolarHBondContact O-N 3.4Å; A230-V234 VanDerWaalsContact O-N 3.12Å
231	A	42.5	Very low	43.8	Very low	4 Å²	4	59.8 Å²	59.8	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-35.3	177.9	0	0	0	0	0	112.6	L227 E228 H233 V267 M271 I275	L227-A231 WeakPolarHBondContact O-CB 3.45Å; L227-A231 PolarHBondContact O-N 3.18Å; E228-A231 PolarHBondContact O-N 2.85Å; A231-H233 VanDerWaalsContact C-N 3.33Å; A231-H233 PolarHBondContact O-N 3.42Å; A231-V267 HydrophobicContact CB-CG2 4.04Å; A231-M271 HydrophobicContact CB-CE 4.34Å; A231-I275 HydrophobicContact CB-CD1 4.42Å
232	R	46.2	Very low	43.6	Very low	111 Å²	111	61.8 Å²	61.8	42%	0.419	31%	0.313	S	S	.	.	H	α-helix	trans	-67.1	-31.9	175	-74.4	-176.8	-164.4	146.4	11.4	113.6	E228 E229 A230	E228-R232 WeakPolarHBondContact O-CG 3.32Å; E228-R232 PolarHBondContact O-N 3.45Å; E228-R232 VanDerWaalsContact O-N 3.1Å; E229-R232 PolarHBondContact O-N 3.36Å; E229-R232 IonicContact OE1-CZ 3.91Å; E229-R232 IonicContact OE1-NH1 2.95Å; E229-R232 PolarHBondContact OE1-NH1 2.67Å; E229-R232 IonicContact OE2-CZ 3.44Å; E229-R232 IonicContact OE2-NH1 2.69Å; E229-R232 PolarHBondContact OE2-NH1 2.84Å; A230-R232 VanDerWaalsContact C-N 3.29Å; A230-R232 PolarHBondContact O-N 2.99Å
233	H	44.4	Very low	43.1	Very low	74 Å²	74	57.3 Å²	57.3	34%	0.343	31%	0.309	S	S	.	.	H	α-helix	trans	-96.6	-1.4	-176	-73.6	-60.8	0	0	0	114.7	L193 L196 E229 A230 A231 D235	L193-H233 VanDerWaalsContact CD2-NE2 3.28Å; L193-H233 WeakPolarHBondContact CD2-NE2 3.42Å; L196-H233 HydrophobicContact CB-CB 4.35Å; E229-H233 PolarHBondContact O-CD2 3.36Å; E229-H233 PolarHBondContact O-N 3.38Å; A230-H233 PolarHBondContact O-N 2.96Å; A230-H233 VanDerWaalsContact O-N 3.11Å; A231-H233 VanDerWaalsContact C-N 3.33Å; A231-H233 PolarHBondContact O-N 3.42Å; H233-D235 PolarHBondContact O-N 3.35Å
234	V	42.7	Very low	43	Very low	9 Å²	9	58.6 Å²	58.6	6%	0.055	33%	0.334	C	S	.	.	S	Bend	trans	-69.7	119	168.4	-169.8	0	0	0	0	108.4	P202 V203 A230 D236 V239 R261	P202-V234 HydrophobicContact CB-CG2 4.44Å; P202-V234 HydrophobicContact CG-CB 4.48Å; P202-V234 HydrophobicContact CG-CG2 4Å; V203-V234 HydrophobicContact CG2-CG2 4.19Å; A230-V234 WeakPolarHBondContact O-CG2 2.87Å; A230-V234 PolarHBondContact O-N 3.4Å; A230-V234 VanDerWaalsContact O-N 3.12Å; V234-D236 PolarHBondContact O-N 3.08Å; V234-V239 HydrophobicContact CB-CG2 4.41Å; V234-V239 HydrophobicContact CG1-CG2 3.18Å; V234-R261 PolarHBondContact O-NH2 2.76Å
235	D	45.6	Very low	43.1	Very low	86 Å²	86	65.7 Å²	65.7	46%	0.46	35%	0.353	S	S	.	.			trans	-64.4	127.8	174.8	-165.6	-19.9	0	0	0	108.9	H233 H237 D238 V239	H233-D235 PolarHBondContact O-N 3.35Å; D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 VanDerWaalsContact O-N 3.07Å; D235-H237 WeakPolarHBondContact OD1-CB 2.89Å; D235-H237 PolarHBondContact OD1-N 3.37Å; D235-D238 HydrophobicContact CB-CB 4.17Å; D235-D238 PolarHBondContact O-N 2.9Å; D235-V239 PolarHBondContact O-N 3.17Å
236	D	45.5	Very low	43.1	Very low	28 Å²	28	73.5 Å²	73.5	15%	0.15	38%	0.375	C	S	.	.	H	α-helix	trans	-54.4	-31.2	175.7	-62.5	-5.8	0	0	0	109.4	V234 L240 H258 R261	V234-D236 PolarHBondContact O-N 3.08Å; D236-L240 WeakPolarHBondContact O-CB 3.07Å; D236-L240 WeakPolarHBondContact O-CD1 3.08Å; D236-L240 WeakPolarHBondContact O-CG 3.29Å; D236-L240 PolarHBondContact O-N 2.93Å; D236-L240 VanDerWaalsContact O-N 3.1Å; D236-H258 IonicContact OD2-ND1 2.81Å; D236-H258 PolarHBondContact OD2-ND1 3.04Å; D236-R261 IonicContact OD1-CZ 3.72Å; D236-R261 IonicContact OD1-NH1 3.2Å; D236-R261 PolarHBondContact OD1-NH1 3.08Å; D236-R261 IonicContact OD1-NH2 3.43Å; D236-R261 PolarHBondContact OD1-NH2 3.43Å; D236-R261 IonicContact OD2-CZ 3.97Å; D236-R261 IonicContact OD2-NH1 3.93Å; D236-R261 PolarHBondContact OD2-NH1 3.45Å
237	H	40.7	Very low	43.5	Very low	121 Å²	121	75.8 Å²	75.8	56%	0.56	39%	0.389	S	S	*	.	H	α-helix	trans	-71.4	-32.9	178.9	-135.5	-16.8	0	0	0	113.5	D235 N241	D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 VanDerWaalsContact O-N 3.07Å; D235-H237 WeakPolarHBondContact OD1-CB 2.89Å; D235-H237 PolarHBondContact OD1-N 3.37Å; H237-N241 PolarHBondContact ND1-ND2 3.33Å; H237-N241 VanDerWaalsContact ND1-ND2 3.16Å; H237-N241 VanDerWaalsContact O-CB 3.23Å; H237-N241 WeakPolarHBondContact O-CB 3.29Å; H237-N241 PolarHBondContact O-N 3.46Å; H237-N241 PolarHBondContact O-ND2 3.07Å
238	D	45.8	Very low	43.9	Very low	96 Å²	96	81.8 Å²	81.8	51%	0.513	42%	0.422	S	S	.	.	H	α-helix	trans	-76	-35.1	176.8	-84.1	-20.5	0	0	0	111	D235 N241 S242	D235-D238 HydrophobicContact CB-CB 4.17Å; D235-D238 PolarHBondContact O-N 2.9Å; D238-N241 PolarHBondContact O-N 3.11Å; D238-S242 WeakPolarHBondContact O-CA 3.31Å; D238-S242 WeakPolarHBondContact O-CB 3.44Å; D238-S242 PolarHBondContact O-N 3.03Å; D238-S242 PolarHBondContact O-OG 3.25Å
239	V	42.7	Very low	43.9	Very low	24 Å²	24	85.8 Å²	85.8	15%	0.145	44%	0.44	C	S	.	.	H	α-helix	trans	-73	-35.6	177.2	175.2	0	0	0	0	112.4	V234 D235 N241 Y253	V234-V239 HydrophobicContact CB-CG2 4.41Å; V234-V239 HydrophobicContact CG1-CG2 3.18Å; D235-V239 PolarHBondContact O-N 3.17Å; V239-N241 PolarHBondContact O-N 3.41Å; V239-Y253 HydrophobicContact CB-CD1 4.33Å; V239-Y253 HydrophobicContact CB-CE1 3.91Å; V239-Y253 HydrophobicContact CG1-CD1 3.51Å; V239-Y253 HydrophobicContact CG1-CE1 3.46Å; V239-Y253 VanDerWaalsContact CG1-CE1 3.46Å; V239-Y253 HydrophobicContact CG1-CG 4.45Å; V239-Y253 HydrophobicContact CG2-CE1 3.71Å
240	L	42.1	Very low	43.8	Very low	71 Å²	71	84.8 Å²	84.8	37%	0.372	44%	0.437	S	S	.	.	H	α-helix	trans	-72.6	-18.7	175.8	-69.8	168.6	0	0	0	112.8	D236 A254	D236-L240 WeakPolarHBondContact O-CB 3.07Å; D236-L240 WeakPolarHBondContact O-CD1 3.08Å; D236-L240 WeakPolarHBondContact O-CG 3.29Å; D236-L240 PolarHBondContact O-N 2.93Å; D236-L240 VanDerWaalsContact O-N 3.1Å; L240-A254 HydrophobicContact CD2-CB 4.24Å
241	N	43.4	Very low	44.3	Very low	114 Å²	114	89.4 Å²	89.4	61%	0.61	46%	0.458	S	S	*	.	H	α-helix	trans	-111.7	-15.4	-177.5	-69.2	-30.2	0	0	0	114	H237 D238 V239 G243	H237-N241 PolarHBondContact ND1-ND2 3.33Å; H237-N241 VanDerWaalsContact ND1-ND2 3.16Å; H237-N241 VanDerWaalsContact O-CB 3.23Å; H237-N241 WeakPolarHBondContact O-CB 3.29Å; H237-N241 PolarHBondContact O-N 3.46Å; H237-N241 PolarHBondContact O-ND2 3.07Å; D238-N241 PolarHBondContact O-N 3.11Å; V239-N241 PolarHBondContact O-N 3.41Å; N241-G243 PolarHBondContact O-N 3.38Å; N241-G243 VanDerWaalsContact O-N 3.13Å
242	S	39.1	Very low	44.8	Very low	90 Å²	90	93.2 Å²	93.2	63%	0.629	48%	0.481	S	S	*	.	S	Bend	trans	-81.5	86.2	175.3	67.7	0	0	0	0	110.3	D238	D238-S242 WeakPolarHBondContact O-CA 3.31Å; D238-S242 WeakPolarHBondContact O-CB 3.44Å; D238-S242 PolarHBondContact O-N 3.03Å; D238-S242 PolarHBondContact O-OG 3.25Å
243	G	37.4	Very low	44.8	Very low	56 Å²	56	88.6 Å²	88.6	58%	0.577	46%	0.464	S	S	*	.	S	Bend	trans	121.2	127.8	165.8	0	0	0	0	0	114	N241 R245	N241-G243 PolarHBondContact O-N 3.38Å; N241-G243 VanDerWaalsContact O-N 3.13Å; G243-R245 PolarHBondContact O-N 3.43Å
244	S	36.2	Very low	45.1	Very low	133 Å²	133	86 Å²	86	93%	0.93	45%	0.454	S	S	*	.	S	Bend	trans	-57.4	20	-176	26	0	0	0	0	117.6
245	R	40.8	Very low	45.8	Very low	213 Å²	213	91.8 Å²	91.8	80%	0.804	48%	0.479	S	S	*	.			trans	-145.9	104.6	170.9	-84.9	-178.3	171.7	165.1	-3.8	110.1	G243 T247	G243-R245 PolarHBondContact O-N 3.43Å; R245-T247 VanDerWaalsContact C-N 3.32Å; R245-T247 HydrophobicContact CB-CG2 4.16Å; R245-T247 PolarHBondContact O-N 2.99Å
246	R	46	Very low	46	Very low	229 Å²	229	89.9 Å²	89.9	86%	0.864	47%	0.47	S	S	*	.			trans	-56.4	100.6	154.3	-88	-178.8	169.5	173.6	-4.7	107.3
247	T	53.9	Low	46.2	Very low	54 Å²	54	88.8 Å²	88.8	33%	0.331	47%	0.465	S	S	.	.			trans	-96	149.9	168.3	55.3	0	0	0	0	108.3	R245 Q249 S250 E251	R245-T247 VanDerWaalsContact C-N 3.32Å; R245-T247 HydrophobicContact CB-CG2 4.16Å; R245-T247 PolarHBondContact O-N 2.99Å; T247-Q249 PolarHBondContact O-N 3.46Å; T247-S250 PolarHBondContact N-OG 2.85Å; T247-S250 WeakPolarHBondContact O-CB 3.41Å; T247-S250 PolarHBondContact O-N 3.43Å; T247-S250 PolarHBondContact O-OG 3.2Å; T247-S250 PolarHBondContact OG1-N 3.47Å; T247-E251 PolarHBondContact O-N 2.97Å
248	D	52.8	Low	46.7	Very low	137 Å²	137	89 Å²	89	73%	0.733	47%	0.465	S	S	*	.	H	α-helix	trans	-52.7	-25.8	173.1	-66	-31	0	0	0	111.9	T252	D248-T252 WeakPolarHBondContact O-CB 3.32Å; D248-T252 PolarHBondContact O-N 3.05Å; D248-T252 PolarHBondContact O-OG1 3.4Å
249	Q	45.8	Very low	46.8	Very low	116 Å²	116	87.7 Å²	87.7	54%	0.542	46%	0.464	S	S	.	.	H	α-helix	trans	-65.3	-40.3	172.9	-68	176.3	-22.6	0	0	113.4	T247 T252 Y253 F274	T247-Q249 PolarHBondContact O-N 3.46Å; Q249-T252 PolarHBondContact O-N 3.45Å; Q249-Y253 WeakPolarHBondContact O-CB 3.08Å; Q249-Y253 PolarHBondContact O-N 3.35Å; Q249-F274 HydrophobicContact CB-CD2 4.22Å; Q249-F274 HydrophobicContact CB-CE2 3.73Å; Q249-F274 HydrophobicContact CB-CZ 4.49Å
250	S	43.5	Very low	46.7	Very low	11 Å²	11	88.5 Å²	88.5	8%	0.077	47%	0.467	C	S	.	.	H	α-helix	trans	-67.4	-35.3	178.2	66.2	0	0	0	0	112.8	T247 Y253 A254	T247-S250 PolarHBondContact N-OG 2.85Å; T247-S250 WeakPolarHBondContact O-CB 3.41Å; T247-S250 PolarHBondContact O-N 3.43Å; T247-S250 PolarHBondContact O-OG 3.2Å; T247-S250 PolarHBondContact OG1-N 3.47Å; S250-Y253 WeakPolarHBondContact O-CB 3.5Å; S250-A254 PolarHBondContact O-N 3.22Å
251	E	53.1	Low	46.7	Very low	101 Å²	101	90.3 Å²	90.3	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-75.9	-38.6	176.2	-162.6	-176	147.5	0	0	111.6	T247 Y253 A254 K255	T247-E251 PolarHBondContact O-N 2.97Å; E251-Y253 VanDerWaalsContact C-N 3.31Å; E251-A254 PolarHBondContact O-N 3.1Å; E251-K255 WeakPolarHBondContact O-CG 3.07Å; E251-K255 PolarHBondContact O-N 2.89Å; E251-K255 WeakPolarHBondContact OE1-CE 3.47Å; E251-K255 IonicContact OE1-NZ 3.03Å; E251-K255 PolarHBondContact OE1-NZ 3.36Å
252	T	53.9	Low	46.6	Very low	84 Å²	84	89.4 Å²	89.4	52%	0.515	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-40.9	171.5	-55.5	0	0	0	0	110.9	D248 Q249 K255 T256	D248-T252 WeakPolarHBondContact O-CB 3.32Å; D248-T252 PolarHBondContact O-N 3.05Å; D248-T252 PolarHBondContact O-OG1 3.4Å; Q249-T252 PolarHBondContact O-N 3.45Å; T252-K255 PolarHBondContact O-N 2.98Å; T252-T256 WeakPolarHBondContact O-CB 3.23Å; T252-T256 PolarHBondContact O-N 2.89Å; T252-T256 PolarHBondContact O-OG1 3.48Å
253	Y	44.9	Very low	46.4	Very low	14 Å²	14	87.6 Å²	87.6	6%	0.055	46%	0.457	C	S	.	.	H	α-helix	trans	-58.6	-52.5	174.3	175.6	-86.2	0	0	0	111.1	V239 Q249 S250 E251 K255 T256 L257 M271 F274 I275	V239-Y253 HydrophobicContact CB-CD1 4.33Å; V239-Y253 HydrophobicContact CB-CE1 3.91Å; V239-Y253 HydrophobicContact CG1-CD1 3.51Å; V239-Y253 HydrophobicContact CG1-CE1 3.46Å; V239-Y253 VanDerWaalsContact CG1-CE1 3.46Å; V239-Y253 HydrophobicContact CG1-CG 4.45Å; V239-Y253 HydrophobicContact CG2-CE1 3.71Å; Q249-Y253 WeakPolarHBondContact O-CB 3.08Å; Q249-Y253 PolarHBondContact O-N 3.35Å; S250-Y253 WeakPolarHBondContact O-CB 3.5Å; E251-Y253 VanDerWaalsContact C-N 3.31Å; Y253-K255 PolarHBondContact O-N 3.25Å; Y253-T256 PolarHBondContact O-N 3.37Å; Y253-L257 HydrophobicContact CD1-CD1 4.08Å; Y253-L257 HydrophobicContact CE1-CD1 3.26Å; Y253-L257 HydrophobicContact CE2-CD1 4.03Å; Y253-L257 VanDerWaalsContact O-CB 3.32Å; Y253-L257 WeakPolarHBondContact O-CB 3.16Å; Y253-L257 PolarHBondContact O-N 2.58Å; Y253-L257 VanDerWaalsContact OH-CD1 3.3Å; Y253-L257 WeakPolarHBondContact OH-CD1 3.29Å; Y253-M271 HydrophobicContact CD2-CG 3.73Å; Y253-M271 HydrophobicContact CD2-SD 4.49Å; Y253-M271 HydrophobicContact CE2-CE 4.14Å; Y253-M271 HydrophobicContact CE2-CG 3.78Å; Y253-M271 HydrophobicContact CE2-SD 4.49Å; Y253-F274 AromaticContact CD2-CD1 3.58Å; Y253-F274 HydrophobicContact CD2-CD1 3.58Å; Y253-F274 AromaticContact CD2-CE1 3.91Å; Y253-F274 HydrophobicContact CD2-CE1 3.91Å; Y253-F274 AromaticContact CE2-CD1 3.98Å; Y253-F274 HydrophobicContact CE2-CD1 3.98Å; Y253-F274 HydrophobicContact CE2-CE1 4.39Å; Y253-F274 HydrophobicContact CG-CD1 4.22Å; Y253-F274 HydrophobicContact CG-CE1 4.08Å; Y253-I275 HydrophobicContact CE2-CD1 4.22Å; Y253-I275 HydrophobicContact CE2-CG1 4.05Å
254	A	50.8	Low	46.3	Very low	18 Å²	18	91.9 Å²	91.9	15%	0.149	47%	0.471	C	S	.	.	H	α-helix	trans	-59.5	-43.9	179	0	0	0	0	0	112.3	L240 S250 E251 T256 L257 H258	L240-A254 HydrophobicContact CD2-CB 4.24Å; S250-A254 PolarHBondContact O-N 3.22Å; E251-A254 PolarHBondContact O-N 3.1Å; A254-T256 PolarHBondContact O-N 2.86Å; A254-L257 PolarHBondContact O-N 3.25Å; A254-H258 WeakPolarHBondContact O-CB 2.88Å; A254-H258 PolarHBondContact O-N 3.16Å
255	K	58.3	Low	46.3	Very low	131 Å²	131	92.2 Å²	92.2	57%	0.57	46%	0.456	S	S	*	.	H	α-helix	trans	-62.9	-40.5	176.5	-73.8	174.1	-174.3	162	0	112.4	E251 T252 Y253 S259	E251-K255 WeakPolarHBondContact O-CG 3.07Å; E251-K255 PolarHBondContact O-N 2.89Å; E251-K255 WeakPolarHBondContact OE1-CE 3.47Å; E251-K255 IonicContact OE1-NZ 3.03Å; E251-K255 PolarHBondContact OE1-NZ 3.36Å; T252-K255 PolarHBondContact O-N 2.98Å; Y253-K255 PolarHBondContact O-N 3.25Å; K255-S259 WeakPolarHBondContact O-CB 3.46Å; K255-S259 PolarHBondContact O-N 3.45Å
256	T	49.8	Very low	46.1	Very low	46 Å²	46	88.3 Å²	88.3	28%	0.282	45%	0.45	S	S	.	.	H	α-helix	trans	-69.3	-41.6	-179.6	-59.7	0	0	0	0	111.1	T252 Y253 A254 S259 M260 M271	T252-T256 WeakPolarHBondContact O-CB 3.23Å; T252-T256 PolarHBondContact O-N 2.89Å; T252-T256 PolarHBondContact O-OG1 3.48Å; Y253-T256 PolarHBondContact O-N 3.37Å; A254-T256 PolarHBondContact O-N 2.86Å; T256-S259 WeakPolarHBondContact O-CB 3.46Å; T256-S259 PolarHBondContact O-N 3.09Å; T256-M260 HydrophobicContact CG2-CE 3.18Å; T256-M260 HydrophobicContact CG2-SD 4.09Å; T256-M260 WeakPolarHBondContact O-CG 3.35Å; T256-M260 PolarHBondContact O-N 3.14Å; T256-M271 HydrophobicContact CG2-SD 3.92Å
257	L	48.4	Very low	45.9	Very low	5 Å²	5	78.3 Å²	78.3	3%	0.026	41%	0.414	C	S	.	.	H	α-helix	trans	-66.7	-39.9	176.6	-142.9	143.9	0	0	0	111.6	Y253 A254 M260 R261 M271	Y253-L257 HydrophobicContact CD1-CD1 4.08Å; Y253-L257 HydrophobicContact CE1-CD1 3.26Å; Y253-L257 HydrophobicContact CE2-CD1 4.03Å; Y253-L257 VanDerWaalsContact O-CB 3.32Å; Y253-L257 WeakPolarHBondContact O-CB 3.16Å; Y253-L257 PolarHBondContact O-N 2.58Å; Y253-L257 VanDerWaalsContact OH-CD1 3.3Å; Y253-L257 WeakPolarHBondContact OH-CD1 3.29Å; A254-L257 PolarHBondContact O-N 3.25Å; L257-M260 PolarHBondContact O-N 2.87Å; L257-R261 HydrophobicContact CD2-CG 4.42Å; L257-R261 WeakPolarHBondContact O-CG 3.07Å; L257-R261 PolarHBondContact O-N 3.4Å; L257-M271 HydrophobicContact CB-CE 4.46Å; L257-M271 HydrophobicContact CD1-CE 3.6Å; L257-M271 HydrophobicContact CG-CE 3.88Å
258	H	51.9	Low	45.3	Very low	125 Å²	125	78 Å²	78	58%	0.579	41%	0.414	S	S	*	.	H	α-helix	trans	-64.2	-40.9	174.3	-140.5	71.1	0	0	0	112	D236 A254 R261 S262	D236-H258 IonicContact OD2-ND1 2.81Å; D236-H258 PolarHBondContact OD2-ND1 3.04Å; A254-H258 WeakPolarHBondContact O-CB 2.88Å; A254-H258 PolarHBondContact O-N 3.16Å; H258-R261 PolarHBondContact O-N 3.26Å; H258-S262 PolarHBondContact O-N 3.36Å
259	S	47.5	Very low	44.6	Very low	69 Å²	69	77.2 Å²	77.2	48%	0.483	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-40.9	175.1	-177.7	0	0	0	0	112.3	K255 T256 S262 T263	K255-S259 WeakPolarHBondContact O-CB 3.46Å; K255-S259 PolarHBondContact O-N 3.45Å; T256-S259 WeakPolarHBondContact O-CB 3.46Å; T256-S259 PolarHBondContact O-N 3.09Å; S259-S262 PolarHBondContact O-N 3.29Å; S259-S262 PolarHBondContact O-OG 3.35Å; S259-T263 PolarHBondContact O-N 2.92Å; S259-T263 PolarHBondContact O-OG1 2.9Å; S259-T263 VanDerWaalsContact O-OG1 3.07Å
260	M	40.3	Very low	44.4	Very low	41 Å²	41	77.8 Å²	77.8	20%	0.202	42%	0.416	C	S	.	.	H	α-helix	trans	-77.1	-25.4	178.9	-69.9	170.6	-164.2	0	0	114.1	T256 L257 S262 T263 P268 M271	T256-M260 HydrophobicContact CG2-CE 3.18Å; T256-M260 HydrophobicContact CG2-SD 4.09Å; T256-M260 WeakPolarHBondContact O-CG 3.35Å; T256-M260 PolarHBondContact O-N 3.14Å; L257-M260 PolarHBondContact O-N 2.87Å; M260-S262 PolarHBondContact O-N 3Å; M260-T263 CarbonylContact C-O 3.56Å; M260-T263 CarbonylContact O-C 3.51Å; M260-T263 PolarHBondContact O-N 3.43Å; M260-P268 HydrophobicContact CE-CG 3.25Å; M260-P268 WeakPolarHBondContact SD-CD 3.33Å; M260-P268 HydrophobicContact SD-CG 4.29Å; M260-M271 HydrophobicContact SD-SD 4.08Å
261	R	42.8	Very low	44.2	Very low	110 Å²	110	77.9 Å²	77.9	42%	0.415	42%	0.416	S	S	.	.	H	α-helix	trans	-65.6	-30.7	168.9	-79.6	-176.2	179.8	149.3	10.2	112	V234 D236 L257 H258	V234-R261 PolarHBondContact O-NH2 2.76Å; D236-R261 IonicContact OD1-CZ 3.72Å; D236-R261 IonicContact OD1-NH1 3.2Å; D236-R261 PolarHBondContact OD1-NH1 3.08Å; D236-R261 IonicContact OD1-NH2 3.43Å; D236-R261 PolarHBondContact OD1-NH2 3.43Å; D236-R261 IonicContact OD2-CZ 3.97Å; D236-R261 IonicContact OD2-NH1 3.93Å; D236-R261 PolarHBondContact OD2-NH1 3.45Å; L257-R261 HydrophobicContact CD2-CG 4.42Å; L257-R261 WeakPolarHBondContact O-CG 3.07Å; L257-R261 PolarHBondContact O-N 3.4Å; H258-R261 PolarHBondContact O-N 3.26Å
262	S	41.6	Very low	43.6	Very low	94 Å²	94	74.8 Å²	74.8	66%	0.657	40%	0.402	S	S	*	.	H	α-helix	trans	-78.9	-23	-179.9	80.1	0	0	0	0	113.8	H258 S259 M260	H258-S262 PolarHBondContact O-N 3.36Å; S259-S262 PolarHBondContact O-N 3.29Å; S259-S262 PolarHBondContact O-OG 3.35Å; M260-S262 PolarHBondContact O-N 3Å
263	T	34.6	Very low	43.1	Very low	53 Å²	53	74.9 Å²	74.9	33%	0.325	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	115.2	-178	39.3	0	0	0	0	108	S259 M260 K265	S259-T263 PolarHBondContact O-N 2.92Å; S259-T263 PolarHBondContact O-OG1 2.9Å; S259-T263 VanDerWaalsContact O-OG1 3.07Å; M260-T263 CarbonylContact C-O 3.56Å; M260-T263 CarbonylContact O-C 3.51Å; M260-T263 PolarHBondContact O-N 3.43Å; T263-K265 WeakPolarHBondContact O-CB 3.06Å; T263-K265 PolarHBondContact O-N 3.1Å
264	V	34.8	Very low	43	Very low	146 Å²	146	76.1 Å²	76.1	89%	0.885	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	79.2	176.2	-174.6	0	0	0	0	110.4
265	K	36.6	Very low	42.6	Very low	139 Å²	139	76 Å²	76	60%	0.604	40%	0.402	S	S	*	.			trans	-127.9	140.9	-173.4	-77	-175.1	178.3	178.6	0	107.9	T263	T263-K265 WeakPolarHBondContact O-CB 3.06Å; T263-K265 PolarHBondContact O-N 3.1Å
266	L	36.3	Very low	41.7	Very low	131 Å²	131	74.8 Å²	74.8	69%	0.686	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-54.4	142.5	178.8	-68.1	158.4	0	0	0	110.4	E228 P268	E228-L266 WeakPolarHBondContact OE1-CD2 3.46Å; L266-P268 WeakPolarHBondContact O-CD 3.18Å
267	V	42.3	Very low	41.4	Very low	19 Å²	19	80.1 Å²	80.1	12%	0.115	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-70.6	123.5	173.2	177.3	0	0	0	0	108.5	E228 A231 M271 L272	E228-V267 HydrophobicContact CB-CG2 4.37Å; E228-V267 HydrophobicContact CG-CB 4.22Å; E228-V267 HydrophobicContact CG-CG2 4.09Å; A231-V267 HydrophobicContact CB-CG2 4.04Å; V267-M271 HydrophobicContact CG1-CB 3.77Å; V267-M271 HydrophobicContact CG1-CE 3.75Å; V267-M271 HydrophobicContact CG1-CG 4.38Å; V267-M271 HydrophobicContact CG1-SD 4.17Å; V267-M271 HydrophobicContact CG2-CE 4.5Å; V267-L272 HydrophobicContact CG1-CD1 4.34Å
268	P	40.9	Very low	40.9	Very low	49 Å²	49	83.4 Å²	83.4	32%	0.318	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-62.8	146.5	176.9	-22.7	33.1	0	0	0	111.8	M260 L266 D270 M271 L272	M260-P268 HydrophobicContact CE-CG 3.25Å; M260-P268 WeakPolarHBondContact SD-CD 3.33Å; M260-P268 HydrophobicContact SD-CG 4.29Å; L266-P268 WeakPolarHBondContact O-CD 3.18Å; P268-D270 PolarHBondContact O-N 3.17Å; P268-M271 VanDerWaalsContact O-CB 3.25Å; P268-M271 WeakPolarHBondContact O-CB 2.91Å; P268-M271 PolarHBondContact O-N 2.03Å; P268-L272 PolarHBondContact O-N 2.62Å
269	N	38.9	Very low	40	Very low	120 Å²	120	81.3 Å²	81.3	64%	0.642	44%	0.437	S	S	*	.	H	α-helix	trans	-54.8	-37.7	178.3	-71.7	-25.3	0	0	0	112.5	M271 L272 D273	N269-M271 PolarHBondContact O-N 3.14Å; N269-M271 VanDerWaalsContact O-N 3.13Å; N269-L272 WeakPolarHBondContact O-CA 3.47Å; N269-L272 WeakPolarHBondContact O-CB 3.07Å; N269-L272 PolarHBondContact O-N 2.94Å; N269-D273 PolarHBondContact O-N 3.36Å
270	D	40.5	Very low	39.1	Very low	128 Å²	128	83.6 Å²	83.6	68%	0.684	45%	0.45	S	S	*	.	H	α-helix	trans	-58.2	-30	178.1	-44.3	-15.2	0	0	0	112.4	P268 F274	P268-D270 PolarHBondContact O-N 3.17Å; D270-F274 PolarHBondContact O-N 3.27Å; D270-F274 VanDerWaalsContact O-N 3.16Å
271	M	41	Very low	38.9	Very low	13 Å²	13	91.8 Å²	91.8	6%	0.064	50%	0.502	C	S	.	.	H	α-helix	trans	-78.4	-30.8	177.3	-140.3	173.4	101.5	0	0	111.5	A231 Y253 T256 L257 M260 V267 P268 N269 I275	A231-M271 HydrophobicContact CB-CE 4.34Å; Y253-M271 HydrophobicContact CD2-CG 3.73Å; Y253-M271 HydrophobicContact CD2-SD 4.49Å; Y253-M271 HydrophobicContact CE2-CE 4.14Å; Y253-M271 HydrophobicContact CE2-CG 3.78Å; Y253-M271 HydrophobicContact CE2-SD 4.49Å; T256-M271 HydrophobicContact CG2-SD 3.92Å; L257-M271 HydrophobicContact CB-CE 4.46Å; L257-M271 HydrophobicContact CD1-CE 3.6Å; L257-M271 HydrophobicContact CG-CE 3.88Å; M260-M271 HydrophobicContact SD-SD 4.08Å; V267-M271 HydrophobicContact CG1-CB 3.77Å; V267-M271 HydrophobicContact CG1-CE 3.75Å; V267-M271 HydrophobicContact CG1-CG 4.38Å; V267-M271 HydrophobicContact CG1-SD 4.17Å; V267-M271 HydrophobicContact CG2-CE 4.5Å; P268-M271 VanDerWaalsContact O-CB 3.25Å; P268-M271 WeakPolarHBondContact O-CB 2.91Å; P268-M271 PolarHBondContact O-N 2.03Å; N269-M271 PolarHBondContact O-N 3.14Å; N269-M271 VanDerWaalsContact O-N 3.13Å; M271-I275 WeakPolarHBondContact O-CD1 3.5Å; M271-I275 WeakPolarHBondContact O-CG1 3.43Å; M271-I275 PolarHBondContact O-N 2.7Å
272	L	39.9	Very low	38.7	Very low	36 Å²	36	90.9 Å²	90.9	19%	0.188	51%	0.507	C	S	.	.	H	α-helix	trans	-66.9	-43.3	170.8	-119.4	100.2	0	0	0	110.8	L227 V267 P268 N269 I275 M276	L227-L272 HydrophobicContact CB-CD1 4.42Å; L227-L272 HydrophobicContact CD1-CD2 3.56Å; L227-L272 HydrophobicContact CD1-CG 4.13Å; V267-L272 HydrophobicContact CG1-CD1 4.34Å; P268-L272 PolarHBondContact O-N 2.62Å; N269-L272 WeakPolarHBondContact O-CA 3.47Å; N269-L272 WeakPolarHBondContact O-CB 3.07Å; N269-L272 PolarHBondContact O-N 2.94Å; L272-I275 PolarHBondContact O-N 3.39Å; L272-M276 WeakPolarHBondContact O-CG 3.19Å; L272-M276 PolarHBondContact O-N 3.37Å
273	D	43.5	Very low	38.5	Very low	86 Å²	86	90.7 Å²	90.7	46%	0.46	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-43	179.8	-67.8	-25.7	0	0	0	111.1	N269 I275 M276 E277	N269-D273 PolarHBondContact O-N 3.36Å; D273-I275 VanDerWaalsContact C-N 3.34Å; D273-I275 PolarHBondContact O-N 3.27Å; D273-M276 WeakPolarHBondContact O-CB 3.47Å; D273-M276 PolarHBondContact O-N 3.15Å; D273-M276 VanDerWaalsContact O-N 3.08Å; D273-E277 WeakPolarHBondContact O-CG 2.92Å; D273-E277 PolarHBondContact O-N 2.79Å
274	F	42.6	Very low	38.7	Very low	40 Å²	40	92.8 Å²	92.8	18%	0.175	51%	0.508	C	S	.	.	H	α-helix	trans	-60.9	-39.4	173.4	-179.1	-98.9	0	0	0	113.2	Q249 Y253 D270 M276 E277 S278	Q249-F274 HydrophobicContact CB-CD2 4.22Å; Q249-F274 HydrophobicContact CB-CE2 3.73Å; Q249-F274 HydrophobicContact CB-CZ 4.49Å; Y253-F274 AromaticContact CD2-CD1 3.58Å; Y253-F274 HydrophobicContact CD2-CD1 3.58Å; Y253-F274 AromaticContact CD2-CE1 3.91Å; Y253-F274 HydrophobicContact CD2-CE1 3.91Å; Y253-F274 AromaticContact CE2-CD1 3.98Å; Y253-F274 HydrophobicContact CE2-CD1 3.98Å; Y253-F274 HydrophobicContact CE2-CE1 4.39Å; Y253-F274 HydrophobicContact CG-CD1 4.22Å; Y253-F274 HydrophobicContact CG-CE1 4.08Å; D270-F274 PolarHBondContact O-N 3.27Å; D270-F274 VanDerWaalsContact O-N 3.16Å; F274-M276 VanDerWaalsContact C-N 3.28Å; F274-M276 PolarHBondContact O-N 2.98Å; F274-E277 PolarHBondContact O-N 2.8Å; F274-S278 WeakPolarHBondContact O-CB 3.47Å; F274-S278 PolarHBondContact O-N 3.43Å; F274-S278 VanDerWaalsContact O-N 3.16Å; F274-S278 PolarHBondContact O-OG 3.13Å
275	I	41.5	Very low	39	Very low	16 Å²	16	89.6 Å²	89.6	8%	0.082	49%	0.486	C	S	.	.	H	α-helix	trans	-66.2	-32.9	175.2	-70.6	167.1	0	0	0	111	V203 A231 Y253 M271 L272 D273 S278 I279	V203-I275 HydrophobicContact CB-CG2 4.25Å; V203-I275 HydrophobicContact CG1-CG2 3.36Å; V203-I275 HydrophobicContact CG2-CG2 3.83Å; A231-I275 HydrophobicContact CB-CD1 4.42Å; Y253-I275 HydrophobicContact CE2-CD1 4.22Å; Y253-I275 HydrophobicContact CE2-CG1 4.05Å; M271-I275 WeakPolarHBondContact O-CD1 3.5Å; M271-I275 WeakPolarHBondContact O-CG1 3.43Å; M271-I275 PolarHBondContact O-N 2.7Å; L272-I275 PolarHBondContact O-N 3.39Å; D273-I275 VanDerWaalsContact C-N 3.34Å; D273-I275 PolarHBondContact O-N 3.27Å; I275-S278 WeakPolarHBondContact CA-OG 3.34Å; I275-S278 PolarHBondContact O-OG 2.78Å; I275-I279 WeakPolarHBondContact O-CG1 3.48Å
276	M	40.7	Very low	39.1	Very low	105 Å²	105	86.6 Å²	86.6	52%	0.517	48%	0.479	S	S	.	.	H	α-helix	trans	-72.6	-37	175.5	-76	-167.3	53.9	0	0	113	F207 L272 D273 F274	F207-M276 HydrophobicContact CZ-CG 3.86Å; L272-M276 WeakPolarHBondContact O-CG 3.19Å; L272-M276 PolarHBondContact O-N 3.37Å; D273-M276 WeakPolarHBondContact O-CB 3.47Å; D273-M276 PolarHBondContact O-N 3.15Å; D273-M276 VanDerWaalsContact O-N 3.08Å; F274-M276 VanDerWaalsContact C-N 3.28Å; F274-M276 PolarHBondContact O-N 2.98Å
277	E	43.7	Very low	39.3	Very low	158 Å²	158	83.6 Å²	83.6	74%	0.738	47%	0.465	S	S	*	.	H	α-helix	trans	-77.2	-21.1	-179.4	-71.9	-179.2	171.9	0	0	114.1	D273 F274 I279	D273-E277 WeakPolarHBondContact O-CG 2.92Å; D273-E277 PolarHBondContact O-N 2.79Å; F274-E277 PolarHBondContact O-N 2.8Å; E277-I279 VanDerWaalsContact C-N 3.3Å; E277-I279 PolarHBondContact O-N 3.3Å
278	S	36.5	Very low	39.1	Very low	73 Å²	73	88.2 Å²	88.2	51%	0.51	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.4	-178.1	44.2	0	0	0	0	114.5	F274 I275	F274-S278 WeakPolarHBondContact O-CB 3.47Å; F274-S278 PolarHBondContact O-N 3.43Å; F274-S278 VanDerWaalsContact O-N 3.16Å; F274-S278 PolarHBondContact O-OG 3.13Å; I275-S278 WeakPolarHBondContact CA-OG 3.34Å; I275-S278 PolarHBondContact O-OG 2.78Å
279	I	33	Very low	38.9	Very low	81 Å²	81	91.2 Å²	91.2	42%	0.415	50%	0.503	S	S	.	.	S	Bend	trans	-89.6	122.6	-180	-58.6	173.1	0	0	0	109.7	V203 F207 I275 E277 T281	V203-I279 HydrophobicContact CG1-CD1 4.23Å; F207-I279 HydrophobicContact CD2-CD1 4.24Å; F207-I279 HydrophobicContact CE2-CD1 3.82Å; I275-I279 WeakPolarHBondContact O-CG1 3.48Å; E277-I279 VanDerWaalsContact C-N 3.3Å; E277-I279 PolarHBondContact O-N 3.3Å; I279-T281 PolarHBondContact O-N 2.75Å
280	P	28.8	Very low	38.9	Very low	117 Å²	117	88.8 Å²	88.8	76%	0.76	49%	0.492	S	S	*	.			trans	-63.2	128.8	169.1	-13.8	27	0	0	0	109.9
281	T	35.8	Very low	38.8	Very low	213 Å²	213	85.3 Å²	85.3	100%	1.307	47%	0.474	S	S	*	.			trans	-57.7	0	169.9	48.3	0	0	0	0	112.5	I279	I279-T281 PolarHBondContact O-N 2.75Å

Retrieved 281 of 281 residues in 161.9 ms (Link to these results)

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