A0A077ZCQ2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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	31.2	Very low	23.6	Very low	247 Å²	247	143 Å²	143	100%	1.217	76%	0.762	S	S	*	*				0	144.7	0	-74.1	179.7	178.1	0	0	107.3
2	D	25.3	Very low	23.4	Very low	161 Å²	161	139.4 Å²	139.4	86%	0.861	76%	0.757	S	S	*	*			trans	-39.8	145.8	-152.6	-96.4	-47.3	0	0	0	120
3	S	23.8	Very low	23.5	Very low	89 Å²	89	134.8 Å²	134.8	62%	0.622	75%	0.749	S	S	*	*			trans	-48.5	138.6	176.1	49.6	0	0	0	0	115.7	L5	S3-L5 PolarHBondContact O-N 3.32Å
4	S	26.2	Very low	23.5	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	75%	0.754	S	S	*	*			trans	22.9	86.6	141.7	65.7	0	0	0	0	116.1	D6	S4-D6 PolarHBondContact O-N 3.49Å
5	L	24	Very low	23.5	Very low	164 Å²	164	142.5 Å²	142.5	86%	0.859	77%	0.765	S	S	*	*			trans	-71.7	63.5	145.9	-87.8	153.4	0	0	0	108.1	S3 S7	S3-L5 PolarHBondContact O-N 3.32Å; L5-S7 PolarHBondContact O-N 3.28Å
6	D	22.8	Very low	23.7	Very low	105 Å²	105	143.2 Å²	143.2	56%	0.561	76%	0.762	S	S	*	*			trans	-67.4	88	155.7	-123.3	22.4	0	0	0	103.6	S4 R8	S4-D6 PolarHBondContact O-N 3.49Å; D6-R8 PolarHBondContact O-N 3.3Å; D6-R8 IonicContact OD2-CZ 3.74Å; D6-R8 IonicContact OD2-NE 3.42Å; D6-R8 PolarHBondContact OD2-NE 3.46Å; D6-R8 IonicContact OD2-NH2 3.13Å; D6-R8 PolarHBondContact OD2-NH2 2.92Å; D6-R8 VanDerWaalsContact OD2-NH2 3.13Å
7	S	21.4	Very low	23.9	Very low	103 Å²	103	145.5 Å²	145.5	72%	0.72	77%	0.767	S	S	*	*			trans	-65.9	71	178.9	-58.6	0	0	0	0	109.5	L5 I9	L5-S7 PolarHBondContact O-N 3.28Å; S7-I9 PolarHBondContact O-N 3.38Å
8	R	19.9	Very low	24.3	Very low	188 Å²	188	140.9 Å²	140.9	71%	0.709	76%	0.76	S	S	*	*			trans	-77.8	109.5	168.1	-65.1	-176.1	-166.8	-170.3	3.9	106.1	D6 I10	D6-R8 PolarHBondContact O-N 3.3Å; D6-R8 IonicContact OD2-CZ 3.74Å; D6-R8 IonicContact OD2-NE 3.42Å; D6-R8 PolarHBondContact OD2-NE 3.46Å; D6-R8 IonicContact OD2-NH2 3.13Å; D6-R8 PolarHBondContact OD2-NH2 2.92Å; D6-R8 VanDerWaalsContact OD2-NH2 3.13Å; R8-I10 VanDerWaalsContact C-N 3.28Å; R8-I10 HydrophobicContact CB-CG1 4.43Å; R8-I10 PolarHBondContact O-N 3.08Å
9	I	22	Very low	24.6	Very low	136 Å²	136	137.5 Å²	137.5	70%	0.697	75%	0.748	S	S	*	*			trans	-64.4	95.3	165.9	-61.1	176.2	0	0	0	106.6	S7 I11	S7-I9 PolarHBondContact O-N 3.38Å; I9-I11 HydrophobicContact CG2-CG1 4.08Å; I9-I11 PolarHBondContact O-N 3.07Å
10	I	20.5	Very low	24.8	Very low	143 Å²	143	138.5 Å²	138.5	73%	0.733	74%	0.744	S	S	*	*			trans	-82	103.7	170.1	-60.4	176	0	0	0	106.7	R8 S12	R8-I10 VanDerWaalsContact C-N 3.28Å; R8-I10 HydrophobicContact CB-CG1 4.43Å; R8-I10 PolarHBondContact O-N 3.08Å; I10-S12 VanDerWaalsContact C-N 3.33Å; I10-S12 PolarHBondContact O-N 3.47Å
11	I	22.4	Very low	25.2	Very low	138 Å²	138	138.9 Å²	138.9	71%	0.708	74%	0.741	S	S	*	*			trans	-74.5	88.8	173.3	-56.9	174.3	0	0	0	108	I9 A13	I9-I11 HydrophobicContact CG2-CG1 4.08Å; I9-I11 PolarHBondContact O-N 3.07Å; I11-A13 PolarHBondContact O-N 3.31Å
12	S	21.3	Very low	25.3	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	71%	0.714	S	S	*	*			trans	-80.7	83.7	167.5	159.6	0	0	0	0	108.9	I10 K14	I10-S12 VanDerWaalsContact C-N 3.33Å; I10-S12 PolarHBondContact O-N 3.47Å; S12-K14 PolarHBondContact O-N 3.08Å
13	A	24.9	Very low	25.6	Very low	79 Å²	79	133.8 Å²	133.8	65%	0.653	70%	0.701	S	S	*	*			trans	-74.6	101.2	170.3	0	0	0	0	0	108.8	I11	I11-A13 PolarHBondContact O-N 3.31Å
14	K	23.2	Very low	26.1	Very low	189 Å²	189	134.1 Å²	134.1	82%	0.822	69%	0.692	S	S	*	*			trans	-59.6	138.8	168.6	-88.9	-174.5	173.9	-177.2	0	109.4	S12 Q16	S12-K14 PolarHBondContact O-N 3.08Å; K14-Q16 PolarHBondContact O-N 3.45Å
15	E	23.8	Very low	26.5	Very low	196 Å²	196	135.3 Å²	135.3	92%	0.916	69%	0.687	S	S	*	*			trans	-46.2	102.9	179.3	-61.6	170.5	156.3	0	0	112.1
16	Q	26.2	Very low	26.9	Very low	154 Å²	154	131.7 Å²	131.7	72%	0.72	67%	0.668	S	S	*	*			trans	-125	119.9	151.9	-77.1	-164.8	-11.7	0	0	106.6	K14 G18 C19	K14-Q16 PolarHBondContact O-N 3.45Å; Q16-G18 PolarHBondContact O-N 3.36Å; Q16-G18 VanDerWaalsContact O-N 3.09Å; Q16-C19 WeakPolarHBondContact O-CB 3.48Å; Q16-C19 PolarHBondContact O-N 3.42Å
17	E	28.2	Very low	27.5	Very low	183 Å²	183	130.6 Å²	130.6	86%	0.855	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-29.5	-168.4	-75.1	172.4	133.9	0	0	113.4	C19 K20	E17-C19 VanDerWaalsContact C-N 3.27Å; E17-C19 PolarHBondContact O-N 2.94Å; E17-K20 WeakPolarHBondContact O-CB 3.43Å; E17-K20 PolarHBondContact O-N 3.34Å; E17-K20 VanDerWaalsContact O-N 3.16Å
18	G	30.5	Very low	28	Very low	62 Å²	62	132.8 Å²	132.8	64%	0.639	65%	0.654	S	S	*	*	H	α-helix	trans	-64.8	-25.7	175	0	0	0	0	0	114.5	Q16 K20	Q16-G18 PolarHBondContact O-N 3.36Å; Q16-G18 VanDerWaalsContact O-N 3.09Å; G18-K20 VanDerWaalsContact C-N 3.32Å; G18-K20 PolarHBondContact O-N 2.84Å
19	C	29.5	Very low	28.5	Very low	77 Å²	77	125.8 Å²	125.8	52%	0.52	64%	0.636	S	S	.	*	H	α-helix	trans	-77.8	-15.4	176.8	-95.1	0	0	0	0	113	Q16 E17 K23	Q16-C19 WeakPolarHBondContact O-CB 3.48Å; Q16-C19 PolarHBondContact O-N 3.42Å; E17-C19 VanDerWaalsContact C-N 3.27Å; E17-C19 PolarHBondContact O-N 2.94Å; C19-K23 WeakPolarHBondContact O-CB 3.43Å; C19-K23 PolarHBondContact O-N 2.89Å
20	K	29.5	Very low	29	Very low	157 Å²	157	121.2 Å²	121.2	68%	0.683	61%	0.614	S	S	*	*	H	α-helix	trans	-70.8	-42.8	-178	-153.2	178.8	-176.9	-177.6	0	111.1	E17 G18 E24	E17-K20 WeakPolarHBondContact O-CB 3.43Å; E17-K20 PolarHBondContact O-N 3.34Å; E17-K20 VanDerWaalsContact O-N 3.16Å; G18-K20 VanDerWaalsContact C-N 3.32Å; G18-K20 PolarHBondContact O-N 2.84Å; K20-E24 PolarHBondContact O-N 3.26Å
21	E	32.7	Very low	29.4	Very low	146 Å²	146	119.4 Å²	119.4	68%	0.682	60%	0.603	S	S	*	*	H	α-helix	trans	-66.5	-44.6	173.2	-76.4	-178.6	151.4	0	0	111.3	K23 E24 Q25	E21-K23 VanDerWaalsContact C-N 3.35Å; E21-K23 PolarHBondContact O-N 2.9Å; E21-E24 PolarHBondContact O-N 3.18Å; E21-Q25 WeakPolarHBondContact O-CB 3.48Å; E21-Q25 WeakPolarHBondContact O-CG 3.33Å; E21-Q25 PolarHBondContact O-N 2.84Å
22	W	32.8	Very low	29.6	Very low	168 Å²	168	114.6 Å²	114.6	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-63.5	-39.9	178.1	-159	84	0	0	0	112.3	Q25 L26	W22-Q25 PolarHBondContact O-N 3.31Å; W22-L26 HydrophobicContact CE3-CD1 4.43Å; W22-L26 HydrophobicContact CH2-CD1 3.6Å; W22-L26 HydrophobicContact CH2-CD2 4.36Å; W22-L26 HydrophobicContact CZ2-CD1 3.83Å; W22-L26 HydrophobicContact CZ3-CD1 3.92Å; W22-L26 HydrophobicContact CZ3-CD2 4.1Å; W22-L26 HydrophobicContact CZ3-CG 4.44Å; W22-L26 WeakPolarHBondContact O-CB 3.21Å; W22-L26 PolarHBondContact O-N 3.32Å
23	K	32.1	Very low	29.9	Very low	134 Å²	134	114.1 Å²	114.1	58%	0.583	57%	0.574	S	S	*	*	H	α-helix	trans	-64.1	-45.6	175.9	-176.6	178.7	179.1	-178.7	0	111.8	C19 E21 Q25 I27	C19-K23 WeakPolarHBondContact O-CB 3.43Å; C19-K23 PolarHBondContact O-N 2.89Å; E21-K23 VanDerWaalsContact C-N 3.35Å; E21-K23 PolarHBondContact O-N 2.9Å; K23-Q25 VanDerWaalsContact C-N 3.31Å; K23-Q25 PolarHBondContact O-N 2.95Å; K23-I27 HydrophobicContact CG-CD1 4.04Å; K23-I27 WeakPolarHBondContact O-CB 3.42Å; K23-I27 WeakPolarHBondContact O-CD1 3.33Å; K23-I27 WeakPolarHBondContact O-CG1 3.34Å; K23-I27 PolarHBondContact O-N 3.41Å
24	E	34.5	Very low	30	Very low	96 Å²	96	116.4 Å²	116.4	45%	0.449	58%	0.575	S	S	.	*	H	α-helix	trans	-63.3	-39.2	175.3	-81.6	-166.3	-167.3	0	0	111.8	K20 E21 I27 R28	K20-E24 PolarHBondContact O-N 3.26Å; E21-E24 PolarHBondContact O-N 3.18Å; E24-I27 PolarHBondContact O-N 3.24Å; E24-R28 WeakPolarHBondContact O-CG 3.29Å; E24-R28 PolarHBondContact O-N 3.33Å; E24-R28 IonicContact OE2-CZ 3.96Å; E24-R28 IonicContact OE2-NH2 2.9Å; E24-R28 PolarHBondContact OE2-NH2 2.99Å
25	Q	33.9	Very low	30.2	Very low	124 Å²	124	115.4 Å²	115.4	58%	0.579	57%	0.573	S	S	*	*	H	α-helix	trans	-70.6	-38.3	179.6	-71.6	-161.8	13.5	0	0	112.9	E21 W22 K23 I27 R28 A29	E21-Q25 WeakPolarHBondContact O-CB 3.48Å; E21-Q25 WeakPolarHBondContact O-CG 3.33Å; E21-Q25 PolarHBondContact O-N 2.84Å; W22-Q25 PolarHBondContact O-N 3.31Å; K23-Q25 VanDerWaalsContact C-N 3.31Å; K23-Q25 PolarHBondContact O-N 2.95Å; Q25-I27 VanDerWaalsContact C-N 3.34Å; Q25-R28 PolarHBondContact O-N 3.33Å; Q25-A29 WeakPolarHBondContact O-CB 3.32Å; Q25-A29 PolarHBondContact O-N 3.17Å
26	L	33.2	Very low	30.3	Very low	87 Å²	87	109.1 Å²	109.1	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-65.4	-39.8	173.8	-149.6	90.1	0	0	0	111.2	W22 T30	W22-L26 HydrophobicContact CE3-CD1 4.43Å; W22-L26 HydrophobicContact CH2-CD1 3.6Å; W22-L26 HydrophobicContact CH2-CD2 4.36Å; W22-L26 HydrophobicContact CZ2-CD1 3.83Å; W22-L26 HydrophobicContact CZ3-CD1 3.92Å; W22-L26 HydrophobicContact CZ3-CD2 4.1Å; W22-L26 HydrophobicContact CZ3-CG 4.44Å; W22-L26 WeakPolarHBondContact O-CB 3.21Å; W22-L26 PolarHBondContact O-N 3.32Å; L26-T30 WeakPolarHBondContact O-CB 3.31Å; L26-T30 PolarHBondContact O-N 2.83Å; L26-T30 PolarHBondContact O-OG1 3.39Å
27	I	35	Very low	30.1	Very low	82 Å²	82	103.5 Å²	103.5	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-61.1	-46.5	174.4	-70.6	166.7	0	0	0	110.1	K23 E24 Q25 T30 Q31	K23-I27 HydrophobicContact CG-CD1 4.04Å; K23-I27 WeakPolarHBondContact O-CB 3.42Å; K23-I27 WeakPolarHBondContact O-CD1 3.33Å; K23-I27 WeakPolarHBondContact O-CG1 3.34Å; K23-I27 PolarHBondContact O-N 3.41Å; E24-I27 PolarHBondContact O-N 3.24Å; Q25-I27 VanDerWaalsContact C-N 3.34Å; I27-T30 PolarHBondContact O-N 3.03Å; I27-Q31 HydrophobicContact CG2-CG 4.46Å; I27-Q31 WeakPolarHBondContact O-CB 3.35Å; I27-Q31 VanDerWaalsContact O-CG 3.31Å; I27-Q31 WeakPolarHBondContact O-CG 3.48Å; I27-Q31 PolarHBondContact O-N 3.45Å
28	R	32.1	Very low	30.2	Very low	150 Å²	150	98.4 Å²	98.4	57%	0.566	53%	0.525	S	S	*	.	H	α-helix	trans	-65.5	-45.1	178.7	-70.2	179.7	-150.9	-160.4	8.5	112.3	E24 Q25 T30 Q31 C32	E24-R28 WeakPolarHBondContact O-CG 3.29Å; E24-R28 PolarHBondContact O-N 3.33Å; E24-R28 IonicContact OE2-CZ 3.96Å; E24-R28 IonicContact OE2-NH2 2.9Å; E24-R28 PolarHBondContact OE2-NH2 2.99Å; Q25-R28 PolarHBondContact O-N 3.33Å; R28-T30 VanDerWaalsContact C-N 3.31Å; R28-T30 PolarHBondContact O-N 3.36Å; R28-Q31 PolarHBondContact O-N 3.42Å; R28-C32 PolarHBondContact O-N 2.92Å; R28-C32 PolarHBondContact O-SG 3.33Å
29	A	31.4	Very low	30.3	Very low	41 Å²	41	100.4 Å²	100.4	34%	0.339	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-41	176.5	0	0	0	0	0	111.5	Q25 C32 V33	Q25-A29 WeakPolarHBondContact O-CB 3.32Å; Q25-A29 PolarHBondContact O-N 3.17Å; A29-C32 PolarHBondContact O-N 3.49Å; A29-V33 WeakPolarHBondContact O-CG2 3.49Å; A29-V33 PolarHBondContact O-N 3.04Å
30	T	30.7	Very low	30.2	Very low	39 Å²	39	105.7 Å²	105.7	24%	0.239	53%	0.534	C	S	.	.	H	α-helix	trans	-66.3	-39.6	175.2	-54.2	0	0	0	0	111.6	L26 I27 R28 V33 N34	L26-T30 WeakPolarHBondContact O-CB 3.31Å; L26-T30 PolarHBondContact O-N 2.83Å; L26-T30 PolarHBondContact O-OG1 3.39Å; I27-T30 PolarHBondContact O-N 3.03Å; R28-T30 VanDerWaalsContact C-N 3.31Å; R28-T30 PolarHBondContact O-N 3.36Å; T30-V33 PolarHBondContact O-N 2.89Å; T30-N34 WeakPolarHBondContact O-CB 3.49Å; T30-N34 VanDerWaalsContact O-CG 3.23Å; T30-N34 PolarHBondContact O-N 3.2Å; T30-N34 PolarHBondContact O-ND2 2.9Å
31	Q	30.5	Very low	30.2	Very low	105 Å²	105	104.2 Å²	104.2	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-62.3	-44.3	174.1	-78.8	173.4	-23.9	0	0	111	I27 R28 V33 N34 E35	I27-Q31 HydrophobicContact CG2-CG 4.46Å; I27-Q31 WeakPolarHBondContact O-CB 3.35Å; I27-Q31 VanDerWaalsContact O-CG 3.31Å; I27-Q31 WeakPolarHBondContact O-CG 3.48Å; I27-Q31 PolarHBondContact O-N 3.45Å; R28-Q31 PolarHBondContact O-N 3.42Å; Q31-V33 PolarHBondContact O-N 3.48Å; Q31-N34 PolarHBondContact O-N 3.42Å; Q31-E35 WeakPolarHBondContact O-CB 3.07Å; Q31-E35 WeakPolarHBondContact O-CG 3.43Å; Q31-E35 PolarHBondContact O-N 2.97Å
32	C	25.6	Very low	30	Very low	38 Å²	38	100 Å²	100	26%	0.257	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-39.9	176.7	-66.6	0	0	0	0	112.8	R28 A29 E35 G36 A37	R28-C32 PolarHBondContact O-N 2.92Å; R28-C32 PolarHBondContact O-SG 3.33Å; A29-C32 PolarHBondContact O-N 3.49Å; C32-E35 CarbonylContact O-C 3.51Å; C32-E35 PolarHBondContact O-N 3.49Å; C32-G36 PolarHBondContact O-N 3.42Å; C32-A37 HydrophobicContact CB-CB 4.13Å; C32-A37 WeakPolarHBondContact O-CB 3.45Å; C32-A37 PolarHBondContact O-N 3.26Å
33	V	27.5	Very low	29.8	Very low	89 Å²	89	97.3 Å²	97.3	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-67.6	-40	175.7	172.4	0	0	0	0	111.2	A29 T30 Q31 E35 G36 V42	A29-V33 WeakPolarHBondContact O-CG2 3.49Å; A29-V33 PolarHBondContact O-N 3.04Å; T30-V33 PolarHBondContact O-N 2.89Å; Q31-V33 PolarHBondContact O-N 3.48Å; V33-E35 VanDerWaalsContact C-N 3.28Å; V33-E35 PolarHBondContact O-N 3.33Å; V33-G36 PolarHBondContact O-N 2.82Å; V33-G36 VanDerWaalsContact O-N 3.08Å; V33-V42 HydrophobicContact CG2-CG2 4.43Å
34	N	27.5	Very low	29.8	Very low	127 Å²	127	96.7 Å²	96.7	68%	0.679	50%	0.503	S	S	*	.	H	α-helix	trans	-66.1	-29.7	175.2	-75.5	-14.5	0	0	0	112.7	T30 Q31 G36	T30-N34 WeakPolarHBondContact O-CB 3.49Å; T30-N34 VanDerWaalsContact O-CG 3.23Å; T30-N34 PolarHBondContact O-N 3.2Å; T30-N34 PolarHBondContact O-ND2 2.9Å; Q31-N34 PolarHBondContact O-N 3.42Å; N34-G36 PolarHBondContact O-N 2.93Å
35	E	27.8	Very low	29.5	Very low	169 Å²	169	95.2 Å²	95.2	79%	0.79	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	9.6	173.8	-69.1	179.3	-173.7	0	0	112.9	Q31 C32 V33 A37	Q31-E35 WeakPolarHBondContact O-CB 3.07Å; Q31-E35 WeakPolarHBondContact O-CG 3.43Å; Q31-E35 PolarHBondContact O-N 2.97Å; C32-E35 CarbonylContact O-C 3.51Å; C32-E35 PolarHBondContact O-N 3.49Å; V33-E35 VanDerWaalsContact C-N 3.28Å; V33-E35 PolarHBondContact O-N 3.33Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.04Å
36	G	25.7	Very low	29.3	Very low	63 Å²	63	92.4 Å²	92.4	65%	0.649	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	16.4	172.6	0	0	0	0	0	114.7	C32 V33 N34 S38	C32-G36 PolarHBondContact O-N 3.42Å; V33-G36 PolarHBondContact O-N 2.82Å; V33-G36 VanDerWaalsContact O-N 3.08Å; N34-G36 PolarHBondContact O-N 2.93Å; G36-S38 PolarHBondContact O-N 2.86Å
37	A	22.5	Very low	29	Very low	36 Å²	36	96.2 Å²	96.2	30%	0.298	51%	0.513	S	S	.	.			trans	-65.6	125.9	175.7	0	0	0	0	0	110.3	C32 E35	C32-A37 HydrophobicContact CB-CB 4.13Å; C32-A37 WeakPolarHBondContact O-CB 3.45Å; C32-A37 PolarHBondContact O-N 3.26Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.04Å
38	S	29.9	Very low	28.8	Very low	76 Å²	76	97.3 Å²	97.3	53%	0.531	52%	0.523	S	S	.	.			trans	-59.7	147.5	-176.8	82	0	0	0	0	112	G36 R40 Y41	G36-S38 PolarHBondContact O-N 2.86Å; S38-R40 PolarHBondContact O-N 3.36Å; S38-R40 WeakPolarHBondContact OG-CB 3.46Å; S38-Y41 WeakPolarHBondContact O-CB 3.21Å; S38-Y41 PolarHBondContact O-N 2.64Å
39	V	32.5	Very low	28.5	Very low	104 Å²	104	98.4 Å²	98.4	63%	0.63	53%	0.532	S	S	*	.	H	α-helix	trans	-44.5	-30.5	174.1	175.8	0	0	0	0	112.8	Y41 V42 Q43	V39-Y41 VanDerWaalsContact C-N 3.29Å; V39-Y41 PolarHBondContact O-N 2.87Å; V39-V42 PolarHBondContact O-N 3.47Å; V39-Q43 HydrophobicContact CG1-CG 4.19Å; V39-Q43 WeakPolarHBondContact O-CB 3.47Å; V39-Q43 VanDerWaalsContact O-CG 3.29Å; V39-Q43 WeakPolarHBondContact O-CG 3.21Å; V39-Q43 PolarHBondContact O-N 2.81Å
40	R	27.8	Very low	28.4	Very low	188 Å²	188	99.9 Å²	99.9	71%	0.709	54%	0.54	S	S	*	.	H	α-helix	trans	-60.8	-32.3	177.4	-155.6	176.9	-173.5	161.6	2.1	113.8	S38 Q44	S38-R40 PolarHBondContact O-N 3.36Å; S38-R40 WeakPolarHBondContact OG-CB 3.46Å; R40-Q44 PolarHBondContact O-N 3.03Å
41	Y	28	Very low	28.4	Very low	127 Å²	127	104.1 Å²	104.1	50%	0.498	57%	0.571	S	S	.	*	H	α-helix	trans	-74.8	-43.2	176.7	-172.6	-101.1	0	0	0	111.2	S38 V39 Q43 Q44 C45	S38-Y41 WeakPolarHBondContact O-CB 3.21Å; S38-Y41 PolarHBondContact O-N 2.64Å; V39-Y41 VanDerWaalsContact C-N 3.29Å; V39-Y41 PolarHBondContact O-N 2.87Å; Y41-Q43 VanDerWaalsContact C-N 3.28Å; Y41-Q43 PolarHBondContact O-N 3.19Å; Y41-Q44 PolarHBondContact O-N 3.19Å; Y41-Q44 VanDerWaalsContact O-N 3.08Å; Y41-C45 PolarHBondContact O-N 3.16Å
42	V	29	Very low	28	Very low	56 Å²	56	106.3 Å²	106.3	34%	0.339	58%	0.581	S	S	.	*	H	α-helix	trans	-59.1	-41.8	173.3	-178.7	0	0	0	0	110.6	V33 V39 Q44 C45 A46	V33-V42 HydrophobicContact CG2-CG2 4.43Å; V39-V42 PolarHBondContact O-N 3.47Å; V42-Q44 PolarHBondContact O-N 3.46Å; V42-C45 PolarHBondContact O-N 3.31Å; V42-A46 PolarHBondContact O-N 3.09Å
43	Q	29.6	Very low	28.2	Very low	112 Å²	112	109.3 Å²	109.3	52%	0.523	60%	0.601	S	S	.	*	H	α-helix	trans	-64.4	-35.9	174.3	-73.2	173.4	-17.9	0	0	113.3	V39 Y41 A46 K47	V39-Q43 HydrophobicContact CG1-CG 4.19Å; V39-Q43 WeakPolarHBondContact O-CB 3.47Å; V39-Q43 VanDerWaalsContact O-CG 3.29Å; V39-Q43 WeakPolarHBondContact O-CG 3.21Å; V39-Q43 PolarHBondContact O-N 2.81Å; Y41-Q43 VanDerWaalsContact C-N 3.28Å; Y41-Q43 PolarHBondContact O-N 3.19Å; Q43-A46 PolarHBondContact O-N 3.28Å; Q43-K47 WeakPolarHBondContact O-CG 3.26Å; Q43-K47 PolarHBondContact O-N 3.04Å
44	Q	30.4	Very low	28.2	Very low	122 Å²	122	110 Å²	110	57%	0.57	61%	0.607	S	S	*	*	H	α-helix	trans	-68.9	-39	174.6	-87.7	-177.7	-29.2	0	0	112.1	R40 Y41 V42 A46 K47	R40-Q44 PolarHBondContact O-N 3.03Å; Y41-Q44 PolarHBondContact O-N 3.19Å; Y41-Q44 VanDerWaalsContact O-N 3.08Å; V42-Q44 PolarHBondContact O-N 3.46Å; Q44-A46 VanDerWaalsContact C-N 3.32Å; Q44-A46 PolarHBondContact O-N 3.03Å; Q44-K47 PolarHBondContact O-N 3.49Å
45	C	28.9	Very low	28.1	Very low	64 Å²	64	113 Å²	113	43%	0.432	61%	0.614	S	S	.	*	H	α-helix	trans	-63.2	-39	173.2	-66.7	0	0	0	0	111.8	Y41 V42 V48	Y41-C45 PolarHBondContact O-N 3.16Å; V42-C45 PolarHBondContact O-N 3.31Å; C45-V48 PolarHBondContact O-N 2.92Å
46	A	30.1	Very low	28.2	Very low	66 Å²	66	112.5 Å²	112.5	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-66.1	-36.7	176	0	0	0	0	0	112.8	V42 Q43 Q44 V48 F49	V42-A46 PolarHBondContact O-N 3.09Å; Q43-A46 PolarHBondContact O-N 3.28Å; Q44-A46 VanDerWaalsContact C-N 3.32Å; Q44-A46 PolarHBondContact O-N 3.03Å; A46-V48 PolarHBondContact O-N 3.17Å; A46-F49 PolarHBondContact O-N 3.05Å
47	K	27.3	Very low	28.5	Very low	167 Å²	167	115.9 Å²	115.9	73%	0.726	62%	0.619	S	S	*	*	H	α-helix	trans	-61.6	-21.1	176.3	-83.9	-174.8	176.7	-173.7	0	114.3	Q43 Q44 F49	Q43-K47 WeakPolarHBondContact O-CG 3.26Å; Q43-K47 PolarHBondContact O-N 3.04Å; Q44-K47 PolarHBondContact O-N 3.49Å; K47-F49 PolarHBondContact O-N 3.32Å
48	V	29.3	Very low	29	Very low	105 Å²	105	119.9 Å²	119.9	64%	0.636	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-17.4	178.5	179.8	0	0	0	0	111.9	C45 A46	C45-V48 PolarHBondContact O-N 2.92Å; A46-V48 PolarHBondContact O-N 3.17Å
49	F	27	Very low	29.1	Very low	173 Å²	173	120.3 Å²	120.3	76%	0.759	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	9.9	-171.1	-69	-75.6	0	0	0	116.9	A46 K47	A46-F49 PolarHBondContact O-N 3.05Å; K47-F49 PolarHBondContact O-N 3.32Å
50	S	28.8	Very low	29	Very low	72 Å²	72	122.9 Å²	122.9	50%	0.503	65%	0.653	S	S	.	*			trans	-103.2	101.2	166.8	166.5	0	0	0	0	108.8	E52	S50-E52 PolarHBondContact O-N 3.23Å; S50-E52 PolarHBondContact OG-O 3Å
51	S	29.9	Very low	29.2	Very low	127 Å²	127	116.4 Å²	116.4	89%	0.888	64%	0.637	S	S	*	*	S	Bend	trans	-72.3	-4.4	-178	53.2	0	0	0	0	114
52	E	23.7	Very low	29.6	Very low	151 Å²	151	116.2 Å²	116.2	71%	0.706	65%	0.654	S	S	*	*	S	Bend	trans	-161.6	123.6	165.2	-110.4	169.4	-157.5	0	0	109.6	S50	S50-E52 PolarHBondContact O-N 3.23Å; S50-E52 PolarHBondContact OG-O 3Å
53	P	28.9	Very low	29.8	Very low	102 Å²	102	116.8 Å²	116.8	66%	0.662	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-63.1	139.9	173.3	24.4	-30.6	0	0	0	109.7	K55	P53-K55 PolarHBondContact O-N 2.67Å
54	P	27.4	Very low	29.8	Very low	104 Å²	104	114.3 Å²	114.3	68%	0.675	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-57.5	126.4	180	20.6	-29.7	0	0	0	110.1	L56	P54-L56 PolarHBondContact O-N 3.2Å
55	K	25.9	Very low	29.8	Very low	188 Å²	188	116 Å²	116	82%	0.817	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.3	175.3	-73.7	177.7	-179.6	169.3	0	108.4	P53 D57	P53-K55 PolarHBondContact O-N 2.67Å; K55-D57 PolarHBondContact O-N 3.26Å
56	L	29.6	Very low	30	Very low	160 Å²	160	117.1 Å²	117.1	84%	0.838	68%	0.679	S	S	*	*			trans	-59.3	107.8	170.1	-83.7	149.6	0	0	0	108.5	P54 T58	P54-L56 PolarHBondContact O-N 3.2Å; L56-T58 HydrophobicContact CB-CG2 4.35Å; L56-T58 PolarHBondContact O-N 3.38Å
57	D	31.6	Very low	30.2	Very low	134 Å²	134	117.5 Å²	117.5	72%	0.717	69%	0.689	S	S	*	*			trans	-71	97.5	169.6	-171.6	1.1	0	0	0	108.6	K55 S59	K55-D57 PolarHBondContact O-N 3.26Å; D57-S59 VanDerWaalsContact C-N 3.31Å; D57-S59 VanDerWaalsContact OD1-CB 3.3Å; D57-S59 WeakPolarHBondContact OD1-CB 3.47Å; D57-S59 PolarHBondContact OD1-N 3.14Å; D57-S59 VanDerWaalsContact OD1-N 3.12Å; D57-S59 PolarHBondContact OD1-OG 3.16Å
58	T	32.9	Very low	30.4	Very low	120 Å²	120	117.5 Å²	117.5	74%	0.736	69%	0.689	S	S	*	*			trans	-91.5	10.1	177.7	57.7	0	0	0	0	112.4	L56 D60	L56-T58 HydrophobicContact CB-CG2 4.35Å; L56-T58 PolarHBondContact O-N 3.38Å; T58-D60 PolarHBondContact O-N 2.96Å
59	S	32.8	Very low	30.7	Very low	84 Å²	84	116.7 Å²	116.7	59%	0.587	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-23.7	-168.9	61	0	0	0	0	114.5	D57	D57-S59 VanDerWaalsContact C-N 3.31Å; D57-S59 VanDerWaalsContact OD1-CB 3.3Å; D57-S59 WeakPolarHBondContact OD1-CB 3.47Å; D57-S59 PolarHBondContact OD1-N 3.14Å; D57-S59 VanDerWaalsContact OD1-N 3.12Å; D57-S59 PolarHBondContact OD1-OG 3.16Å
60	D	30.5	Very low	31.4	Very low	158 Å²	158	112 Å²	112	85%	0.845	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	15.3	-169.2	-85	-19.5	0	0	0	117.1	T58	T58-D60 PolarHBondContact O-N 2.96Å
61	S	32.3	Very low	32.1	Very low	52 Å²	52	112.1 Å²	112.1	36%	0.364	67%	0.665	S	S	.	*			trans	-109	98.6	177.8	-177.7	0	0	0	0	112.7	M63	S61-M63 PolarHBondContact O-N 2.84Å; S61-M63 WeakPolarHBondContact OG-CB 3.43Å; S61-M63 PolarHBondContact OG-N 2.81Å
62	S	35.9	Very low	32.7	Very low	124 Å²	124	109.9 Å²	109.9	87%	0.867	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	2.2	161.4	54.7	0	0	0	0	113.5
63	M	32.8	Very low	33.6	Very low	67 Å²	67	106.1 Å²	106.1	33%	0.33	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-0.9	-175.7	-55	-165.5	136.1	0	0	114.4	S61 F69 A70 Q74	S61-M63 PolarHBondContact O-N 2.84Å; S61-M63 WeakPolarHBondContact OG-CB 3.43Å; S61-M63 PolarHBondContact OG-N 2.81Å; M63-F69 HydrophobicContact CB-CD1 4.45Å; M63-F69 WeakPolarHBondContact O-CA 3.35Å; M63-A70 PolarHBondContact O-N 3.41Å; M63-Q74 HydrophobicContact CE-CB 4.15Å; M63-Q74 HydrophobicContact CE-CG 4.32Å; M63-Q74 HydrophobicContact SD-CB 4.44Å
64	C	29.4	Very low	34.3	Very low	60 Å²	60	105 Å²	105	41%	0.405	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	100	179.4	-70.1	0	0	0	0	110.8	F69	C64-F69 VanDerWaalsContact SG-CE1 3.59Å
65	E	31.1	Very low	34.9	Very low	157 Å²	157	103.1 Å²	103.1	73%	0.734	61%	0.612	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.6	123.9	166.2	-75.8	-169.2	166	0	0	109.5	G67 K68	E65-G67 PolarHBondContact O-N 3.07Å; E65-G67 VanDerWaalsContact O-N 3.16Å; E65-K68 PolarHBondContact N-O 3.21Å; E65-K68 PolarHBondContact O-N 3.36Å; E65-K68 VanDerWaalsContact O-N 3.14Å; E65-K68 VanDerWaalsContact O-O 3.11Å
66	G	32.6	Very low	35.7	Very low	88 Å²	88	96.6 Å²	96.6	91%	0.907	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.2	26.3	176.2	0	0	0	0	0	115	K68	G66-K68 VanDerWaalsContact C-N 3.3Å; G66-K68 PolarHBondContact O-N 2.67Å
67	G	34	Very low	36.4	Very low	74 Å²	74	95.8 Å²	95.8	76%	0.763	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.8	12.8	-179.5	0	0	0	0	0	114.6	E65	E65-G67 PolarHBondContact O-N 3.07Å; E65-G67 VanDerWaalsContact O-N 3.16Å
68	K	32.6	Very low	37	Very low	167 Å²	167	92.4 Å²	92.4	73%	0.726	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-122.6	140.3	172	-65.9	-177.9	-179.9	179.3	0	109.5	E65 G66 A70	E65-K68 PolarHBondContact N-O 3.21Å; E65-K68 PolarHBondContact O-N 3.36Å; E65-K68 VanDerWaalsContact O-N 3.14Å; E65-K68 VanDerWaalsContact O-O 3.11Å; G66-K68 VanDerWaalsContact C-N 3.3Å; G66-K68 PolarHBondContact O-N 2.67Å; K68-A70 PolarHBondContact O-N 2.96Å
69	F	34.4	Very low	37.5	Very low	88 Å²	88	88.1 Å²	88.1	39%	0.386	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	126.4	172.8	-72.5	-81.8	0	0	0	109.2	M63 C64 N71 F75	M63-F69 HydrophobicContact CB-CD1 4.45Å; M63-F69 WeakPolarHBondContact O-CA 3.35Å; C64-F69 VanDerWaalsContact SG-CE1 3.59Å; F69-N71 PolarHBondContact O-N 3.15Å; F69-F75 HydrophobicContact CB-CB 4.14Å; F69-F75 HydrophobicContact CD1-CB 4.25Å; F69-F75 AromaticContact CD1-CD2 3.67Å; F69-F75 HydrophobicContact CD1-CD2 3.67Å; F69-F75 HydrophobicContact CD1-CG 4.36Å; F69-F75 HydrophobicContact CD2-CB 4.45Å; F69-F75 AromaticContact CD2-CD2 3.36Å; F69-F75 HydrophobicContact CD2-CD2 3.36Å; F69-F75 AromaticContact CD2-CE2 3.7Å; F69-F75 HydrophobicContact CD2-CE2 3.7Å; F69-F75 AromaticContact CD2-CG 3.97Å; F69-F75 HydrophobicContact CD2-CG 3.97Å; F69-F75 AromaticContact CE1-CD2 3.57Å; F69-F75 HydrophobicContact CE1-CD2 3.57Å; F69-F75 HydrophobicContact CE1-CE2 4.09Å; F69-F75 AromaticContact CE2-CD2 3.27Å; F69-F75 HydrophobicContact CE2-CD2 3.27Å; F69-F75 AromaticContact CE2-CE2 3.18Å; F69-F75 HydrophobicContact CE2-CE2 3.18Å; F69-F75 HydrophobicContact CE2-CG 4.28Å; F69-F75 HydrophobicContact CE2-CZ 4.15Å; F69-F75 HydrophobicContact CG-CB 4.02Å; F69-F75 AromaticContact CG-CD2 3.57Å; F69-F75 HydrophobicContact CG-CD2 3.57Å; F69-F75 HydrophobicContact CG-CE2 4.35Å; F69-F75 HydrophobicContact CG-CG 4.02Å; F69-F75 AromaticContact CZ-CD2 3.38Å; F69-F75 HydrophobicContact CZ-CD2 3.38Å; F69-F75 AromaticContact CZ-CE2 3.41Å; F69-F75 HydrophobicContact CZ-CE2 3.41Å; F69-F75 VanDerWaalsContact CZ-CE2 3.41Å
70	A	41.7	Very low	37.9	Very low	76 Å²	76	86.6 Å²	86.6	63%	0.628	52%	0.518	S	S	*	.	S	Bend	trans	-64.7	-22.6	-174.8	0	0	0	0	0	113.1	M63 K68	M63-A70 PolarHBondContact O-N 3.41Å; K68-A70 PolarHBondContact O-N 2.96Å
71	N	45.2	Very low	38.6	Very low	73 Å²	73	85.1 Å²	85.1	39%	0.39	50%	0.504	S	S	.	.			trans	-146.6	121.8	178.4	-168.4	-8.8	0	0	0	111.5	F69 S73 Q74 F75	F69-N71 PolarHBondContact O-N 3.15Å; N71-S73 VanDerWaalsContact C-N 3.26Å; N71-S73 PolarHBondContact ND2-OG 3.12Å; N71-S73 PolarHBondContact O-N 3.06Å; N71-S73 PolarHBondContact OD1-N 2.74Å; N71-S73 PolarHBondContact OD1-OG 2.99Å; N71-S73 VanDerWaalsContact OD1-OG 3.09Å; N71-Q74 HydrophobicContact CB-CB 4.36Å; N71-Q74 HydrophobicContact CB-CG 4.23Å; N71-Q74 PolarHBondContact O-N 3.17Å; N71-F75 PolarHBondContact O-N 3.21Å
72	A	40.8	Very low	39.1	Very low	80 Å²	80	87.8 Å²	87.8	66%	0.661	51%	0.509	S	S	*	.	H	α-helix	trans	-61.9	-31.5	-178.3	0	0	0	0	0	113	F75 Q76	A72-F75 PolarHBondContact O-N 2.89Å; A72-Q76 PolarHBondContact O-N 3.39Å
73	S	44.4	Very low	39.4	Very low	72 Å²	72	84.3 Å²	84.3	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-68.5	-38.6	178.6	64	0	0	0	0	112.3	N71 Q76 E77	N71-S73 VanDerWaalsContact C-N 3.26Å; N71-S73 PolarHBondContact ND2-OG 3.12Å; N71-S73 PolarHBondContact O-N 3.06Å; N71-S73 PolarHBondContact OD1-N 2.74Å; N71-S73 PolarHBondContact OD1-OG 2.99Å; N71-S73 VanDerWaalsContact OD1-OG 3.09Å; S73-Q76 PolarHBondContact O-N 3.42Å; S73-E77 PolarHBondContact O-N 3.16Å
74	Q	42.9	Very low	39.7	Very low	78 Å²	78	84.8 Å²	84.8	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-71	-34.5	177.9	-69.8	178.3	-26.4	0	0	111.8	M63 N71 E77 L78	M63-Q74 HydrophobicContact CE-CB 4.15Å; M63-Q74 HydrophobicContact CE-CG 4.32Å; M63-Q74 HydrophobicContact SD-CB 4.44Å; N71-Q74 HydrophobicContact CB-CB 4.36Å; N71-Q74 HydrophobicContact CB-CG 4.23Å; N71-Q74 PolarHBondContact O-N 3.17Å; Q74-E77 PolarHBondContact O-N 2.58Å; Q74-L78 WeakPolarHBondContact O-CB 3.43Å; Q74-L78 PolarHBondContact O-N 3.19Å
75	F	40	Very low	40.4	Very low	66 Å²	66	85.9 Å²	85.9	29%	0.289	48%	0.483	S	S	.	.	H	α-helix	trans	-63.2	-45.1	171.5	-179.9	-107	0	0	0	111.3	F69 N71 A72 E77 L78 C79	F69-F75 HydrophobicContact CB-CB 4.14Å; F69-F75 HydrophobicContact CD1-CB 4.25Å; F69-F75 AromaticContact CD1-CD2 3.67Å; F69-F75 HydrophobicContact CD1-CD2 3.67Å; F69-F75 HydrophobicContact CD1-CG 4.36Å; F69-F75 HydrophobicContact CD2-CB 4.45Å; F69-F75 AromaticContact CD2-CD2 3.36Å; F69-F75 HydrophobicContact CD2-CD2 3.36Å; F69-F75 AromaticContact CD2-CE2 3.7Å; F69-F75 HydrophobicContact CD2-CE2 3.7Å; F69-F75 AromaticContact CD2-CG 3.97Å; F69-F75 HydrophobicContact CD2-CG 3.97Å; F69-F75 AromaticContact CE1-CD2 3.57Å; F69-F75 HydrophobicContact CE1-CD2 3.57Å; F69-F75 HydrophobicContact CE1-CE2 4.09Å; F69-F75 AromaticContact CE2-CD2 3.27Å; F69-F75 HydrophobicContact CE2-CD2 3.27Å; F69-F75 AromaticContact CE2-CE2 3.18Å; F69-F75 HydrophobicContact CE2-CE2 3.18Å; F69-F75 HydrophobicContact CE2-CG 4.28Å; F69-F75 HydrophobicContact CE2-CZ 4.15Å; F69-F75 HydrophobicContact CG-CB 4.02Å; F69-F75 AromaticContact CG-CD2 3.57Å; F69-F75 HydrophobicContact CG-CD2 3.57Å; F69-F75 HydrophobicContact CG-CE2 4.35Å; F69-F75 HydrophobicContact CG-CG 4.02Å; F69-F75 AromaticContact CZ-CD2 3.38Å; F69-F75 HydrophobicContact CZ-CD2 3.38Å; F69-F75 AromaticContact CZ-CE2 3.41Å; F69-F75 HydrophobicContact CZ-CE2 3.41Å; F69-F75 VanDerWaalsContact CZ-CE2 3.41Å; N71-F75 PolarHBondContact O-N 3.21Å; A72-F75 PolarHBondContact O-N 2.89Å; F75-E77 VanDerWaalsContact C-N 3.35Å; F75-E77 PolarHBondContact O-N 3.13Å; F75-L78 PolarHBondContact O-N 3.06Å; F75-C79 WeakPolarHBondContact CZ-SG 3.2Å; F75-C79 WeakPolarHBondContact O-CB 3.17Å; F75-C79 PolarHBondContact O-N 3.15Å; F75-C79 PolarHBondContact O-SG 3.16Å
76	Q	42.1	Very low	40.8	Very low	50 Å²	50	79.4 Å²	79.4	23%	0.234	46%	0.455	C	S	.	.	H	α-helix	trans	-59.2	-47	176	-173.8	61.3	41.4	0	0	111.4	A72 S73 L78 C79 D80	A72-Q76 PolarHBondContact O-N 3.39Å; S73-Q76 PolarHBondContact O-N 3.42Å; Q76-L78 VanDerWaalsContact C-N 3.33Å; Q76-L78 PolarHBondContact O-N 3.35Å; Q76-C79 PolarHBondContact O-N 3.4Å; Q76-D80 VanDerWaalsContact NE2-CG 3.31Å; Q76-D80 PolarHBondContact NE2-OD1 2.85Å; Q76-D80 PolarHBondContact NE2-OD2 3.05Å; Q76-D80 WeakPolarHBondContact O-CB 3.34Å; Q76-D80 VanDerWaalsContact O-CG 3.22Å; Q76-D80 PolarHBondContact O-N 3.35Å
77	E	45	Very low	40.9	Very low	143 Å²	143	77 Å²	77	67%	0.668	42%	0.422	S	S	*	.	H	α-helix	trans	-62.6	-38.5	179.6	-165.7	173.9	-172.4	0	0	112.1	S73 Q74 F75 K81	S73-E77 PolarHBondContact O-N 3.16Å; Q74-E77 PolarHBondContact O-N 2.58Å; F75-E77 VanDerWaalsContact C-N 3.35Å; F75-E77 PolarHBondContact O-N 3.13Å; E77-K81 VanDerWaalsContact O-CB 3.25Å; E77-K81 WeakPolarHBondContact O-CB 3.31Å; E77-K81 PolarHBondContact O-N 3.39Å
78	L	43.8	Very low	41	Very low	63 Å²	63	80 Å²	80	33%	0.33	42%	0.416	S	S	.	.	H	α-helix	trans	-68.1	-43.3	174.8	-175.6	67.7	0	0	0	112.3	Q74 F75 Q76 K81 K82	Q74-L78 WeakPolarHBondContact O-CB 3.43Å; Q74-L78 PolarHBondContact O-N 3.19Å; F75-L78 PolarHBondContact O-N 3.06Å; Q76-L78 VanDerWaalsContact C-N 3.33Å; Q76-L78 PolarHBondContact O-N 3.35Å; L78-K81 PolarHBondContact O-N 2.96Å; L78-K82 WeakPolarHBondContact O-CB 3.3Å; L78-K82 WeakPolarHBondContact O-CG 3.37Å; L78-K82 PolarHBondContact O-N 2.87Å
79	C	43	Very low	41.1	Very low	31 Å²	31	77.4 Å²	77.4	21%	0.209	41%	0.41	C	S	.	.	H	α-helix	trans	-62.4	-45.4	176	-79.7	0	0	0	0	111.4	F75 Q76 K82 L83	F75-C79 WeakPolarHBondContact CZ-SG 3.2Å; F75-C79 WeakPolarHBondContact O-CB 3.17Å; F75-C79 PolarHBondContact O-N 3.15Å; F75-C79 PolarHBondContact O-SG 3.16Å; Q76-C79 PolarHBondContact O-N 3.4Å; C79-K82 PolarHBondContact O-N 3.43Å; C79-L83 VanDerWaalsContact O-CB 3.3Å; C79-L83 WeakPolarHBondContact O-CB 3.36Å; C79-L83 PolarHBondContact O-N 3.49Å
80	D	42.5	Very low	40.9	Very low	52 Å²	52	75 Å²	75	28%	0.278	40%	0.401	S	S	.	.	H	α-helix	trans	-62.9	-44.1	177.7	-71.3	-18.9	0	0	0	110.6	Q76 L83 L84	Q76-D80 VanDerWaalsContact NE2-CG 3.31Å; Q76-D80 PolarHBondContact NE2-OD1 2.85Å; Q76-D80 PolarHBondContact NE2-OD2 3.05Å; Q76-D80 WeakPolarHBondContact O-CB 3.34Å; Q76-D80 VanDerWaalsContact O-CG 3.22Å; Q76-D80 PolarHBondContact O-N 3.35Å; D80-L83 PolarHBondContact O-N 3.23Å; D80-L84 WeakPolarHBondContact O-CB 2.85Å; D80-L84 WeakPolarHBondContact O-CG 3.3Å; D80-L84 PolarHBondContact O-N 3.11Å
81	K	44.2	Very low	40.4	Very low	126 Å²	126	75.9 Å²	75.9	55%	0.548	39%	0.391	S	S	.	.	H	α-helix	trans	-60.7	-47.4	175.5	-173.7	-179.8	176.8	-173.3	0	112	E77 L78 L84 E85	E77-K81 VanDerWaalsContact O-CB 3.25Å; E77-K81 WeakPolarHBondContact O-CB 3.31Å; E77-K81 PolarHBondContact O-N 3.39Å; L78-K81 PolarHBondContact O-N 2.96Å; K81-L84 PolarHBondContact O-N 2.97Å; K81-E85 WeakPolarHBondContact CE-OE1 3.49Å; K81-E85 IonicContact NZ-OE1 2.85Å; K81-E85 WeakPolarHBondContact O-CB 3.4Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 3.42Å
82	K	43.5	Very low	39.6	Very low	108 Å²	108	76.5 Å²	76.5	47%	0.47	41%	0.406	S	S	.	.	H	α-helix	trans	-67.9	-36.2	179.1	-76.3	-166.2	174.9	-167.7	0	112.9	L78 C79 S86 F100	L78-K82 WeakPolarHBondContact O-CB 3.3Å; L78-K82 WeakPolarHBondContact O-CG 3.37Å; L78-K82 PolarHBondContact O-N 2.87Å; C79-K82 PolarHBondContact O-N 3.43Å; K82-S86 WeakPolarHBondContact O-CB 3.4Å; K82-S86 PolarHBondContact O-N 3.04Å; K82-F100 HydrophobicContact CB-CZ 4.25Å
83	L	41	Very low	39.1	Very low	52 Å²	52	75.8 Å²	75.8	27%	0.272	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-47.5	174.5	-179.7	65.3	0	0	0	110.2	C79 D80 S86 L87	C79-L83 VanDerWaalsContact O-CB 3.3Å; C79-L83 WeakPolarHBondContact O-CB 3.36Å; C79-L83 PolarHBondContact O-N 3.49Å; D80-L83 PolarHBondContact O-N 3.23Å; L83-S86 PolarHBondContact O-N 3.47Å; L83-L87 HydrophobicContact CD1-CD1 4.36Å; L83-L87 HydrophobicContact CD1-CG 4.42Å; L83-L87 HydrophobicContact CG-CD1 4.06Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 3.26Å
84	L	40.2	Very low	38.2	Very low	76 Å²	76	77.6 Å²	77.6	40%	0.398	40%	0.403	S	S	.	.	H	α-helix	trans	-61.5	-48.7	176.4	-76.3	168	0	0	0	111.9	D80 K81 S86 L87 E88	D80-L84 WeakPolarHBondContact O-CB 2.85Å; D80-L84 WeakPolarHBondContact O-CG 3.3Å; D80-L84 PolarHBondContact O-N 3.11Å; K81-L84 PolarHBondContact O-N 2.97Å; L84-S86 VanDerWaalsContact C-N 3.26Å; L84-S86 PolarHBondContact O-N 3.22Å; L84-L87 PolarHBondContact O-N 3.3Å; L84-E88 WeakPolarHBondContact O-CB 3.46Å; L84-E88 WeakPolarHBondContact O-CG 3.33Å; L84-E88 PolarHBondContact O-N 2.8Å
85	E	43	Very low	37.5	Very low	84 Å²	84	82.7 Å²	82.7	39%	0.393	43%	0.426	S	S	.	.	H	α-helix	trans	-58.2	-40	176.4	-77.7	174.6	177.1	0	0	111.5	K81 N89	K81-E85 WeakPolarHBondContact CE-OE1 3.49Å; K81-E85 IonicContact NZ-OE1 2.85Å; K81-E85 WeakPolarHBondContact O-CB 3.4Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 3.42Å; E85-N89 VanDerWaalsContact O-CB 3.24Å; E85-N89 WeakPolarHBondContact O-CB 3.43Å; E85-N89 PolarHBondContact O-N 3.29Å; E85-N89 PolarHBondContact O-ND2 3.13Å
86	S	39.1	Very low	36.9	Very low	21 Å²	21	86.2 Å²	86.2	15%	0.147	44%	0.442	C	S	.	.	H	α-helix	trans	-69.8	-42	177.2	-174.4	0	0	0	0	112	K82 L83 L84 N89 N90 F100	K82-S86 WeakPolarHBondContact O-CB 3.4Å; K82-S86 PolarHBondContact O-N 3.04Å; L83-S86 PolarHBondContact O-N 3.47Å; L84-S86 VanDerWaalsContact C-N 3.26Å; L84-S86 PolarHBondContact O-N 3.22Å; S86-N89 PolarHBondContact O-N 3.09Å; S86-N90 WeakPolarHBondContact O-CA 3.49Å; S86-N90 WeakPolarHBondContact O-CB 3.49Å; S86-N90 PolarHBondContact O-N 2.96Å; S86-N90 PolarHBondContact O-ND2 2.91Å; S86-N90 PolarHBondContact OG-ND2 2.9Å; S86-F100 VanDerWaalsContact CB-CE2 3.48Å
87	L	36.3	Very low	36.2	Very low	37 Å²	37	85.6 Å²	85.6	19%	0.194	45%	0.445	C	S	.	.	H	α-helix	trans	-61.5	-48.6	173.9	-71.4	170.6	0	0	0	110.6	L83 L84 N89 N90 F91 Q120	L83-L87 HydrophobicContact CD1-CD1 4.36Å; L83-L87 HydrophobicContact CD1-CG 4.42Å; L83-L87 HydrophobicContact CG-CD1 4.06Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.4Å; L83-L87 PolarHBondContact O-N 3.26Å; L84-L87 PolarHBondContact O-N 3.3Å; L87-N89 VanDerWaalsContact C-N 3.33Å; L87-N89 PolarHBondContact O-N 3.16Å; L87-N90 PolarHBondContact O-N 3.46Å; L87-F91 HydrophobicContact CB-CD2 4.18Å; L87-F91 HydrophobicContact CB-CE2 4.11Å; L87-F91 HydrophobicContact CD2-CE2 3.9Å; L87-F91 WeakPolarHBondContact O-CB 3.4Å; L87-F91 WeakPolarHBondContact O-CD2 3.06Å; L87-F91 PolarHBondContact O-N 2.68Å; L87-Q120 HydrophobicContact CD1-CB 4.08Å
88	E	35	Very low	35.4	Very low	138 Å²	138	86.8 Å²	86.8	65%	0.645	45%	0.451	S	S	*	.	H	α-helix	trans	-58.7	-43.1	177.7	-73	-179.4	166.1	0	0	112	L84 A92	L84-E88 WeakPolarHBondContact O-CB 3.46Å; L84-E88 WeakPolarHBondContact O-CG 3.33Å; L84-E88 PolarHBondContact O-N 2.8Å; E88-A92 PolarHBondContact O-N 2.87Å
89	N	34.4	Very low	34.8	Very low	112 Å²	112	94.7 Å²	94.7	60%	0.599	48%	0.476	S	S	*	.	H	α-helix	trans	-74.4	-35.7	178.1	-72.2	-42.7	0	0	0	113.2	E85 S86 L87 A92 D93	E85-N89 VanDerWaalsContact O-CB 3.24Å; E85-N89 WeakPolarHBondContact O-CB 3.43Å; E85-N89 PolarHBondContact O-N 3.29Å; E85-N89 PolarHBondContact O-ND2 3.13Å; S86-N89 PolarHBondContact O-N 3.09Å; L87-N89 VanDerWaalsContact C-N 3.33Å; L87-N89 PolarHBondContact O-N 3.16Å; N89-A92 PolarHBondContact O-N 2.97Å; N89-D93 PolarHBondContact O-N 2.96Å
90	N	32	Very low	34.1	Very low	37 Å²	37	99.5 Å²	99.5	20%	0.198	49%	0.494	C	S	.	.	H	α-helix	trans	-81.2	-28.7	-177.2	-68.8	-31.4	0	0	0	112.8	S86 L87 D93 C94 A97	S86-N90 WeakPolarHBondContact O-CA 3.49Å; S86-N90 WeakPolarHBondContact O-CB 3.49Å; S86-N90 PolarHBondContact O-N 2.96Å; S86-N90 PolarHBondContact O-ND2 2.91Å; S86-N90 PolarHBondContact OG-ND2 2.9Å; L87-N90 PolarHBondContact O-N 3.46Å; N90-D93 CarbonylContact O-C 3.39Å; N90-D93 PolarHBondContact O-N 3.42Å; N90-C94 PolarHBondContact O-N 2.85Å; N90-A97 HydrophobicContact CB-CB 4.21Å; N90-A97 WeakPolarHBondContact OD1-CA 3.22Å
91	F	30.4	Very low	33.4	Very low	94 Å²	94	104.2 Å²	104.2	41%	0.412	52%	0.519	S	S	.	.	H	α-helix	trans	-70	-25.5	169.3	-78.6	-63	0	0	0	111.9	L87	L87-F91 HydrophobicContact CB-CD2 4.18Å; L87-F91 HydrophobicContact CB-CE2 4.11Å; L87-F91 HydrophobicContact CD2-CE2 3.9Å; L87-F91 WeakPolarHBondContact O-CB 3.4Å; L87-F91 WeakPolarHBondContact O-CD2 3.06Å; L87-F91 PolarHBondContact O-N 2.68Å
92	A	28.9	Very low	32.6	Very low	86 Å²	86	101.7 Å²	101.7	71%	0.711	53%	0.528	S	S	*	.	H	α-helix	trans	-76	-25.8	174.5	0	0	0	0	0	112.9	E88 N89	E88-A92 PolarHBondContact O-N 2.87Å; N89-A92 PolarHBondContact O-N 2.97Å
93	D	29	Very low	31.8	Very low	66 Å²	66	98.9 Å²	98.9	35%	0.353	52%	0.522	S	S	.	.			trans	-149.5	81.9	-176.1	-154.7	0.7	0	0	0	111.3	N89 N90 E95 K96	N89-D93 PolarHBondContact O-N 2.96Å; N90-D93 CarbonylContact O-C 3.39Å; N90-D93 PolarHBondContact O-N 3.42Å; D93-E95 PolarHBondContact O-N 3.36Å; D93-K96 PolarHBondContact O-N 2.92Å; D93-K96 IonicContact OD2-NZ 3.59Å; D93-K96 PolarHBondContact OD2-NZ 3.24Å
94	C	26.1	Very low	31.1	Very low	110 Å²	110	106 Å²	106	74%	0.743	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-52.1	-21.3	-174.8	-73.4	0	0	0	0	114.8	N90 K96	N90-C94 PolarHBondContact O-N 2.85Å; C94-K96 VanDerWaalsContact C-N 3.31Å
95	E	28.5	Very low	30.6	Very low	185 Å²	185	107.4 Å²	107.4	86%	0.864	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-75.1	-16.4	178.6	-65.9	-167.8	164.9	0	0	113.7	D93	D93-E95 PolarHBondContact O-N 3.36Å
96	K	27.6	Very low	29.7	Very low	140 Å²	140	105.8 Å²	105.8	61%	0.609	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-105.7	7.9	-175.1	-69.7	-176	-173.6	128.4	0	115.4	D93 C94 Q98	D93-K96 PolarHBondContact O-N 2.92Å; D93-K96 IonicContact OD2-NZ 3.59Å; D93-K96 PolarHBondContact OD2-NZ 3.24Å; C94-K96 VanDerWaalsContact C-N 3.31Å; K96-Q98 VanDerWaalsContact C-N 3.34Å; K96-Q98 PolarHBondContact O-N 2.96Å
97	A	26.5	Very low	29.2	Very low	37 Å²	37	110.3 Å²	110.3	31%	0.306	59%	0.592	S	S	.	*			trans	-60.7	88.6	-178.2	0	0	0	0	0	112.7	N90	N90-A97 HydrophobicContact CB-CB 4.21Å; N90-A97 WeakPolarHBondContact OD1-CA 3.22Å
98	Q	27.8	Very low	28.6	Very low	168 Å²	168	111.6 Å²	111.6	79%	0.785	61%	0.614	S	S	*	*			trans	-86.5	113.4	170.1	-70.6	-174.1	-10.9	0	0	108.3	K96	K96-Q98 VanDerWaalsContact C-N 3.34Å; K96-Q98 PolarHBondContact O-N 2.96Å
99	W	32.8	Very low	28	Very low	229 Å²	229	109.7 Å²	109.7	87%	0.867	60%	0.604	S	S	*	*			trans	-76.8	133.6	178.8	-59.8	83.4	0	0	0	109.6	D101	W99-D101 PolarHBondContact O-N 3.48Å
100	F	26.5	Very low	27.7	Very low	131 Å²	131	109.3 Å²	109.3	58%	0.575	60%	0.598	S	S	*	*			trans	-68.4	110.8	-176.4	-81.1	-80.7	0	0	0	112.3	K82 S86	K82-F100 HydrophobicContact CB-CZ 4.25Å; S86-F100 VanDerWaalsContact CB-CE2 3.48Å
101	D	29.7	Very low	27.4	Very low	152 Å²	152	110.3 Å²	110.3	81%	0.813	61%	0.612	S	S	*	*			trans	-77.5	125.7	158.6	-93.2	-30.9	0	0	0	109.3	W99	W99-D101 PolarHBondContact O-N 3.48Å
102	G	26.2	Very low	27.2	Very low	72 Å²	72	108.4 Å²	108.4	74%	0.742	61%	0.613	S	S	*	*			trans	139.4	-8.9	160.4	0	0	0	0	0	118.3	Q104	G102-Q104 PolarHBondContact O-N 3.29Å
103	C	26.3	Very low	27.1	Very low	49 Å²	49	105.7 Å²	105.7	33%	0.331	59%	0.588	S	S	.	*			trans	-87	102.4	175.2	-68.9	0	0	0	0	110.7	Y105	C103-Y105 HydrophobicContact CB-CD1 4.35Å; C103-Y105 HydrophobicContact CB-CD2 3.96Å; C103-Y105 HydrophobicContact CB-CE1 3.72Å; C103-Y105 HydrophobicContact CB-CE2 3.26Å; C103-Y105 HydrophobicContact CB-CG 4.47Å; C103-Y105 WeakPolarHBondContact CB-OH 3.48Å; C103-Y105 WeakPolarHBondContact O-CD2 3.22Å; C103-Y105 WeakPolarHBondContact O-CE2 3.48Å; C103-Y105 PolarHBondContact O-N 2.9Å
104	Q	27.6	Very low	27.2	Very low	202 Å²	202	107 Å²	107	94%	0.944	59%	0.592	S	S	*	*			trans	-76.8	95.6	166.4	-73.4	-173.9	-8.7	0	0	108.7	G102	G102-Q104 PolarHBondContact O-N 3.29Å
105	Y	28.4	Very low	27.5	Very low	105 Å²	105	106.4 Å²	106.4	41%	0.412	58%	0.578	S	S	.	*			trans	-80.4	134.9	178.6	-60.5	-75.9	0	0	0	111	C103 F109 T113	C103-Y105 HydrophobicContact CB-CD1 4.35Å; C103-Y105 HydrophobicContact CB-CD2 3.96Å; C103-Y105 HydrophobicContact CB-CE1 3.72Å; C103-Y105 HydrophobicContact CB-CE2 3.26Å; C103-Y105 HydrophobicContact CB-CG 4.47Å; C103-Y105 WeakPolarHBondContact CB-OH 3.48Å; C103-Y105 WeakPolarHBondContact O-CD2 3.22Å; C103-Y105 WeakPolarHBondContact O-CE2 3.48Å; C103-Y105 PolarHBondContact O-N 2.9Å; Y105-F109 AromaticContact CD1-CD1 3.86Å; Y105-F109 HydrophobicContact CD1-CD1 3.86Å; Y105-F109 HydrophobicContact CE1-CD1 4.39Å; Y105-T113 HydrophobicContact CE1-CG2 4.32Å
106	G	24.6	Very low	27.6	Very low	50 Å²	50	104.7 Å²	104.7	52%	0.515	56%	0.564	S	S	.	*			trans	-64.1	149.3	165.7	0	0	0	0	0	110.5	G108 F109 Q110	G106-G108 PolarHBondContact O-N 3.3Å; G106-F109 WeakPolarHBondContact O-CA 3.46Å; G106-F109 VanDerWaalsContact O-CB 3.26Å; G106-F109 WeakPolarHBondContact O-CB 3.27Å; G106-F109 PolarHBondContact O-N 3.38Å; G106-Q110 PolarHBondContact O-N 3.38Å
107	S	29.7	Very low	28	Very low	117 Å²	117	99.6 Å²	99.6	82%	0.818	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.6	-168.4	54.4	0	0	0	0	116.2
108	G	22.9	Very low	28.5	Very low	63 Å²	63	100.4 Å²	100.4	65%	0.649	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-21	173.9	0	0	0	0	0	114.2	G106	G106-G108 PolarHBondContact O-N 3.3Å
109	F	22.6	Very low	28.9	Very low	99 Å²	99	94.4 Å²	94.4	43%	0.434	52%	0.516	S	S	.	.	H	α-helix	trans	-83.5	-27.2	-175.8	-136.5	-92.8	0	0	0	112.2	Y105 G106 A111 A112 T113	Y105-F109 AromaticContact CD1-CD1 3.86Å; Y105-F109 HydrophobicContact CD1-CD1 3.86Å; Y105-F109 HydrophobicContact CE1-CD1 4.39Å; G106-F109 WeakPolarHBondContact O-CA 3.46Å; G106-F109 VanDerWaalsContact O-CB 3.26Å; G106-F109 WeakPolarHBondContact O-CB 3.27Å; G106-F109 PolarHBondContact O-N 3.38Å; F109-A111 VanDerWaalsContact C-N 3.32Å; F109-A111 PolarHBondContact O-N 2.83Å; F109-A112 PolarHBondContact O-N 2.9Å; F109-T113 WeakPolarHBondContact CD1-OG1 3.3Å; F109-T113 PolarHBondContact O-N 2.88Å; F109-T113 PolarHBondContact O-OG1 2.82Å
110	Q	27.6	Very low	29	Very low	104 Å²	104	85.6 Å²	85.6	49%	0.486	49%	0.485	S	S	.	.	H	α-helix	trans	-61.4	-40.1	-179.2	-153.3	168.4	-0.2	0	0	111.6	G106 E114	G106-Q110 PolarHBondContact O-N 3.38Å; Q110-E114 VanDerWaalsContact O-CB 3.3Å; Q110-E114 WeakPolarHBondContact O-CB 3.46Å; Q110-E114 VanDerWaalsContact O-CG 3.31Å; Q110-E114 WeakPolarHBondContact O-CG 3.46Å; Q110-E114 PolarHBondContact O-N 3.3Å
111	A	26.3	Very low	29.4	Very low	58 Å²	58	81.2 Å²	81.2	48%	0.479	47%	0.467	S	S	.	.	H	α-helix	trans	-65.9	-47.4	176.6	0	0	0	0	0	112.9	F109 T113 E115	F109-A111 VanDerWaalsContact C-N 3.32Å; F109-A111 PolarHBondContact O-N 2.83Å; A111-T113 VanDerWaalsContact C-N 3.33Å; A111-T113 PolarHBondContact O-N 3.41Å; A111-E115 WeakPolarHBondContact O-CB 3.28Å; A111-E115 WeakPolarHBondContact O-CG 3.44Å; A111-E115 PolarHBondContact O-N 3.46Å
112	A	25.7	Very low	29.7	Very low	53 Å²	53	75.8 Å²	75.8	44%	0.438	44%	0.436	S	S	.	.	H	α-helix	trans	-68.2	-33.1	-177.3	0	0	0	0	0	112.9	F109 R116	F109-A112 PolarHBondContact O-N 2.9Å; A112-R116 WeakPolarHBondContact O-CB 3.46Å; A112-R116 PolarHBondContact O-N 3.26Å; A112-R116 VanDerWaalsContact O-N 3.13Å
113	T	28	Very low	29.9	Very low	30 Å²	30	76 Å²	76	18%	0.184	42%	0.417	C	S	.	.	H	α-helix	trans	-79.4	-39.2	-179.5	-36.9	0	0	0	0	111.2	Y105 F109 A111 R116 A117	Y105-T113 HydrophobicContact CE1-CG2 4.32Å; F109-T113 WeakPolarHBondContact CD1-OG1 3.3Å; F109-T113 PolarHBondContact O-N 2.88Å; F109-T113 PolarHBondContact O-OG1 2.82Å; A111-T113 VanDerWaalsContact C-N 3.33Å; A111-T113 PolarHBondContact O-N 3.41Å; T113-R116 PolarHBondContact O-N 2.89Å; T113-A117 WeakPolarHBondContact O-CB 3.42Å; T113-A117 PolarHBondContact O-N 3.45Å
114	E	30.7	Very low	30.1	Very low	93 Å²	93	74.4 Å²	74.4	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-48.7	172.3	-78.7	-178.4	-172.1	0	0	110.8	Q110 R116 A117 Y118	Q110-E114 VanDerWaalsContact O-CB 3.3Å; Q110-E114 WeakPolarHBondContact O-CB 3.46Å; Q110-E114 VanDerWaalsContact O-CG 3.31Å; Q110-E114 WeakPolarHBondContact O-CG 3.46Å; Q110-E114 PolarHBondContact O-N 3.3Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 2.98Å; E114-A117 PolarHBondContact O-N 2.93Å; E114-A117 VanDerWaalsContact O-N 3.16Å; E114-Y118 HydrophobicContact CB-CD2 4.34Å; E114-Y118 HydrophobicContact CB-CE2 3.75Å; E114-Y118 WeakPolarHBondContact O-CD2 3.25Å; E114-Y118 WeakPolarHBondContact O-CE2 3.49Å; E114-Y118 VanDerWaalsContact O-CG 3.32Å; E114-Y118 PolarHBondContact O-N 3.47Å
115	E	31.2	Very low	30.2	Very low	97 Å²	97	66.1 Å²	66.1	45%	0.453	37%	0.372	S	S	.	.	H	α-helix	trans	-54.8	-45.9	174.7	-78.6	-177.5	165	0	0	112.3	A111 Y118 I119	A111-E115 WeakPolarHBondContact O-CB 3.28Å; A111-E115 WeakPolarHBondContact O-CG 3.44Å; A111-E115 PolarHBondContact O-N 3.46Å; E115-Y118 PolarHBondContact O-N 2.97Å; E115-I119 WeakPolarHBondContact O-CB 3.4Å; E115-I119 WeakPolarHBondContact O-CD1 3.38Å; E115-I119 WeakPolarHBondContact O-CG1 3.16Å; E115-I119 PolarHBondContact O-N 3.04Å
116	R	32	Very low	30.3	Very low	150 Å²	150	64.7 Å²	64.7	57%	0.566	38%	0.377	S	S	*	.	H	α-helix	trans	-65.3	-41	175.9	-97.6	179.7	171.6	175.1	-2.7	113.5	A112 T113 E114 Y118 I119 Q120	A112-R116 WeakPolarHBondContact O-CB 3.46Å; A112-R116 PolarHBondContact O-N 3.26Å; A112-R116 VanDerWaalsContact O-N 3.13Å; T113-R116 PolarHBondContact O-N 2.89Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 2.98Å; R116-Y118 VanDerWaalsContact C-N 3.34Å; R116-I119 PolarHBondContact O-N 3.34Å; R116-Q120 WeakPolarHBondContact O-CG 3.36Å; R116-Q120 PolarHBondContact O-N 2.93Å
117	A	34.5	Very low	30.7	Very low	32 Å²	32	70.8 Å²	70.8	26%	0.264	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175.8	0	0	0	0	0	111.1	T113 E114 I119 Q120 I121	T113-A117 WeakPolarHBondContact O-CB 3.42Å; T113-A117 PolarHBondContact O-N 3.45Å; E114-A117 PolarHBondContact O-N 2.93Å; E114-A117 VanDerWaalsContact O-N 3.16Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I119 PolarHBondContact O-N 2.93Å; A117-Q120 PolarHBondContact O-N 2.79Å; A117-I121 WeakPolarHBondContact O-CB 3.3Å; A117-I121 WeakPolarHBondContact O-CD1 3.49Å; A117-I121 WeakPolarHBondContact O-CG1 3.44Å; A117-I121 PolarHBondContact O-N 3.2Å
118	Y	38.4	Very low	30.6	Very low	55 Å²	55	68.1 Å²	68.1	22%	0.216	37%	0.371	C	S	.	.	H	α-helix	trans	-60.4	-45.6	173.9	-66.9	-57.9	0	0	0	111.1	E114 E115 R116 I121 F122 T139 F140	E114-Y118 HydrophobicContact CB-CD2 4.34Å; E114-Y118 HydrophobicContact CB-CE2 3.75Å; E114-Y118 WeakPolarHBondContact O-CD2 3.25Å; E114-Y118 WeakPolarHBondContact O-CE2 3.49Å; E114-Y118 VanDerWaalsContact O-CG 3.32Å; E114-Y118 PolarHBondContact O-N 3.47Å; E115-Y118 PolarHBondContact O-N 2.97Å; R116-Y118 VanDerWaalsContact C-N 3.34Å; Y118-I121 WeakPolarHBondContact O-CB 3.43Å; Y118-I121 PolarHBondContact O-N 3.34Å; Y118-F122 VanDerWaalsContact O-CD2 3.28Å; Y118-F122 WeakPolarHBondContact O-CD2 3.44Å; Y118-F122 PolarHBondContact O-N 2.84Å; Y118-T139 HydrophobicContact CD1-CG2 4.02Å; Y118-T139 HydrophobicContact CE1-CG2 3.43Å; Y118-T139 VanDerWaalsContact CE1-CG2 3.43Å; Y118-T139 WeakPolarHBondContact CE1-O 3.32Å; Y118-T139 PolarHBondContact OH-O 3.3Å; Y118-F140 HydrophobicContact CD1-CE2 4.42Å; Y118-F140 HydrophobicContact CD1-CZ 4.2Å; Y118-F140 HydrophobicContact CG-CE1 4.43Å; Y118-F140 HydrophobicContact CG-CZ 4.18Å
119	I	34.9	Very low	31	Very low	42 Å²	42	70.2 Å²	70.2	22%	0.215	37%	0.371	C	S	.	.	H	α-helix	trans	-62	-43.5	179	-74	167.3	0	0	0	111.5	E115 R116 A117 F122 E123 F211	E115-I119 WeakPolarHBondContact O-CB 3.4Å; E115-I119 WeakPolarHBondContact O-CD1 3.38Å; E115-I119 WeakPolarHBondContact O-CG1 3.16Å; E115-I119 PolarHBondContact O-N 3.04Å; R116-I119 PolarHBondContact O-N 3.34Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I119 PolarHBondContact O-N 2.93Å; I119-F122 CarbonylContact O-C 3.59Å; I119-F122 WeakPolarHBondContact O-CA 3.24Å; I119-F122 VanDerWaalsContact O-CB 3.3Å; I119-F122 WeakPolarHBondContact O-CB 3.03Å; I119-F122 PolarHBondContact O-N 3.1Å; I119-F122 VanDerWaalsContact O-N 3.16Å; I119-E123 PolarHBondContact O-N 3.41Å; I119-F211 HydrophobicContact CB-CE1 4.42Å; I119-F211 HydrophobicContact CG2-CD1 3.71Å; I119-F211 HydrophobicContact CG2-CE1 3Å; I119-F211 HydrophobicContact CG2-CZ 3.54Å
120	Q	34.8	Very low	31.5	Very low	44 Å²	44	74.5 Å²	74.5	21%	0.206	40%	0.398	C	S	.	.	H	α-helix	trans	-69.9	-34.5	176.8	-73.7	-180	-12.5	0	0	112.6	L87 R116 A117 F122 E123 G124	L87-Q120 HydrophobicContact CD1-CB 4.08Å; R116-Q120 WeakPolarHBondContact O-CG 3.36Å; R116-Q120 PolarHBondContact O-N 2.93Å; A117-Q120 PolarHBondContact O-N 2.79Å; Q120-F122 VanDerWaalsContact C-N 3.29Å; Q120-F122 PolarHBondContact O-N 2.97Å; Q120-E123 PolarHBondContact O-N 2.98Å; Q120-G124 PolarHBondContact O-N 3.38Å
121	I	35.8	Very low	31.5	Very low	38 Å²	38	70.7 Å²	70.7	20%	0.195	39%	0.388	C	S	.	.	H	α-helix	trans	-59.9	-43.5	168.6	-70.7	163.9	0	0	0	109.4	A117 Y118 G124 L125	A117-I121 WeakPolarHBondContact O-CB 3.3Å; A117-I121 WeakPolarHBondContact O-CD1 3.49Å; A117-I121 WeakPolarHBondContact O-CG1 3.44Å; A117-I121 PolarHBondContact O-N 3.2Å; Y118-I121 WeakPolarHBondContact O-CB 3.43Å; Y118-I121 PolarHBondContact O-N 3.34Å; I121-G124 PolarHBondContact O-N 3.49Å; I121-L125 HydrophobicContact CG2-CD1 3.54Å; I121-L125 HydrophobicContact CG2-CG 4.16Å; I121-L125 VanDerWaalsContact O-CB 3.28Å; I121-L125 WeakPolarHBondContact O-CB 3.28Å; I121-L125 WeakPolarHBondContact O-CD1 3.38Å; I121-L125 WeakPolarHBondContact O-CG 3.34Å; I121-L125 PolarHBondContact O-N 3.4Å
122	F	35	Very low	31.5	Very low	39 Å²	39	70.3 Å²	70.3	17%	0.171	38%	0.384	C	S	.	.	H	α-helix	trans	-61.2	-42.7	173.9	-92.4	-78.7	0	0	0	112.6	Y118 I119 Q120 L125 S126 I136 F140 F146 F172	Y118-F122 VanDerWaalsContact O-CD2 3.28Å; Y118-F122 WeakPolarHBondContact O-CD2 3.44Å; Y118-F122 PolarHBondContact O-N 2.84Å; I119-F122 CarbonylContact O-C 3.59Å; I119-F122 WeakPolarHBondContact O-CA 3.24Å; I119-F122 VanDerWaalsContact O-CB 3.3Å; I119-F122 WeakPolarHBondContact O-CB 3.03Å; I119-F122 PolarHBondContact O-N 3.1Å; I119-F122 VanDerWaalsContact O-N 3.16Å; Q120-F122 VanDerWaalsContact C-N 3.29Å; Q120-F122 PolarHBondContact O-N 2.97Å; F122-L125 PolarHBondContact O-N 3.26Å; F122-S126 WeakPolarHBondContact O-CB 3.37Å; F122-S126 PolarHBondContact O-N 3.4Å; F122-S126 PolarHBondContact O-OG 2.76Å; F122-I136 HydrophobicContact CE1-CD1 3.79Å; F122-I136 HydrophobicContact CE1-CG1 4.24Å; F122-I136 HydrophobicContact CZ-CD1 3.94Å; F122-I136 HydrophobicContact CZ-CG1 4.11Å; F122-I136 HydrophobicContact CZ-CG2 4.32Å; F122-F140 AromaticContact CE2-CE2 3.75Å; F122-F140 HydrophobicContact CE2-CE2 3.75Å; F122-F140 AromaticContact CE2-CZ 3.84Å; F122-F140 HydrophobicContact CE2-CZ 3.84Å; F122-F140 HydrophobicContact CZ-CE2 4.29Å; F122-F146 HydrophobicContact CZ-CD1 4.48Å; F122-F172 HydrophobicContact CE1-CE1 4.35Å
123	E	32.1	Very low	31.6	Very low	75 Å²	75	72.6 Å²	72.6	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-63.7	-45.8	176.1	-71.6	-167.8	140.4	0	0	111.9	I119 Q120 L125 S126 K127 F211	I119-E123 PolarHBondContact O-N 3.41Å; Q120-E123 PolarHBondContact O-N 2.98Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.02Å; E123-S126 PolarHBondContact O-N 2.86Å; E123-S126 PolarHBondContact O-OG 3.41Å; E123-K127 WeakPolarHBondContact O-CG 3.36Å; E123-K127 PolarHBondContact O-N 3.3Å; E123-F211 HydrophobicContact CG-CD1 4.19Å; E123-F211 HydrophobicContact CG-CE1 3.64Å; E123-F211 WeakPolarHBondContact OE1-CD1 3.45Å; E123-F211 WeakPolarHBondContact OE1-CE1 3.09Å
124	G	30	Very low	31.5	Very low	17 Å²	17	81.5 Å²	81.5	18%	0.175	43%	0.427	C	S	.	.	H	α-helix	trans	-58.5	-46.3	175.9	0	0	0	0	0	111.5	Q120 I121 S126 K127 S128	Q120-G124 PolarHBondContact O-N 3.38Å; I121-G124 PolarHBondContact O-N 3.49Å; G124-S126 PolarHBondContact O-N 2.85Å; G124-K127 PolarHBondContact O-N 3.39Å; G124-S128 VanDerWaalsContact O-CB 3.28Å; G124-S128 WeakPolarHBondContact O-CB 3.11Å; G124-S128 PolarHBondContact O-N 2.76Å
125	L	30.3	Very low	31.4	Very low	27 Å²	27	80 Å²	80	14%	0.141	42%	0.424	C	S	.	.	H	α-helix	trans	-69.4	-29.8	177.6	-67.4	170.3	0	0	0	113.2	I121 F122 E123 S128 V135	I121-L125 HydrophobicContact CG2-CD1 3.54Å; I121-L125 HydrophobicContact CG2-CG 4.16Å; I121-L125 VanDerWaalsContact O-CB 3.28Å; I121-L125 WeakPolarHBondContact O-CB 3.28Å; I121-L125 WeakPolarHBondContact O-CD1 3.38Å; I121-L125 WeakPolarHBondContact O-CG 3.34Å; I121-L125 PolarHBondContact O-N 3.4Å; F122-L125 PolarHBondContact O-N 3.26Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.02Å; L125-S128 CarbonylContact O-C 3.34Å; L125-V135 HydrophobicContact CD1-CB 3.73Å; L125-V135 HydrophobicContact CD1-CG1 3.83Å; L125-V135 HydrophobicContact CD1-CG2 4.37Å; L125-V135 HydrophobicContact CD2-CB 4.04Å; L125-V135 HydrophobicContact CD2-CG1 4.3Å; L125-V135 HydrophobicContact CD2-CG2 3.73Å
126	S	29.3	Very low	31.3	Very low	76 Å²	76	77 Å²	77	53%	0.531	41%	0.411	S	S	.	.	H	α-helix	trans	-73.2	-34.7	176.1	76.2	0	0	0	0	112.4	F122 E123 G124	F122-S126 WeakPolarHBondContact O-CB 3.37Å; F122-S126 PolarHBondContact O-N 3.4Å; F122-S126 PolarHBondContact O-OG 2.76Å; E123-S126 PolarHBondContact O-N 2.86Å; E123-S126 PolarHBondContact O-OG 3.41Å; G124-S126 PolarHBondContact O-N 2.85Å
127	K	32.9	Very low	31.2	Very low	178 Å²	178	73.4 Å²	73.4	77%	0.774	41%	0.409	S	S	*	.	H	α-helix	trans	-75.6	-30.7	174.4	-70.3	176.7	-178.2	171	0	111.4	E123 G124	E123-K127 WeakPolarHBondContact O-CG 3.36Å; E123-K127 PolarHBondContact O-N 3.3Å; G124-K127 PolarHBondContact O-N 3.39Å
128	S	27.9	Very low	31	Very low	60 Å²	60	78.9 Å²	78.9	42%	0.42	43%	0.434	S	S	.	.	S	Bend	trans	-103.8	92.2	179.5	163	0	0	0	0	111	G124 L125	G124-S128 VanDerWaalsContact O-CB 3.28Å; G124-S128 WeakPolarHBondContact O-CB 3.11Å; G124-S128 PolarHBondContact O-N 2.76Å; L125-S128 CarbonylContact O-C 3.34Å
129	T	31.2	Very low	30.7	Very low	107 Å²	107	78.9 Å²	78.9	66%	0.656	44%	0.439	S	S	*	.			trans	85.5	147.5	152.5	74	0	0	0	0	119.7	G131	T129-G131 PolarHBondContact O-N 3.41Å
130	N	33.3	Very low	30.6	Very low	189 Å²	189	78.9 Å²	78.9	100%	1.011	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	35.8	162.5	-76.9	-29	0	0	0	114.2
131	G	27.1	Very low	30.6	Very low	25 Å²	25	80.5 Å²	80.5	26%	0.258	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	9.5	-168.2	0	0	0	0	0	115.4	T129 S133 R134	T129-G131 PolarHBondContact O-N 3.41Å; G131-S133 PolarHBondContact O-N 2.92Å; G131-R134 PolarHBondContact O-N 2.81Å
132	A	26.4	Very low	30.6	Very low	49 Å²	49	85.8 Å²	85.8	41%	0.405	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-11.7	-175.3	0	0	0	0	0	115.9	R134	A132-R134 VanDerWaalsContact C-N 3.27Å; A132-R134 PolarHBondContact O-N 3.19Å
133	S	28	Very low	30.6	Very low	101 Å²	101	89.1 Å²	89.1	71%	0.706	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-18	172.9	71	0	0	0	0	114.1	G131	G131-S133 PolarHBondContact O-N 2.92Å
134	R	26.4	Very low	30.6	Very low	217 Å²	217	89.9 Å²	89.9	82%	0.819	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-20.2	-168.2	-78.5	-173.9	172.9	-177	-1	116.5	G131 A132	G131-R134 PolarHBondContact O-N 2.81Å; A132-R134 VanDerWaalsContact C-N 3.27Å; A132-R134 PolarHBondContact O-N 3.19Å
135	V	28.6	Very low	31.1	Very low	61 Å²	61	92.5 Å²	92.5	37%	0.37	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-18.3	-166.7	-176.3	0	0	0	0	113.8	L125 S137	L125-V135 HydrophobicContact CD1-CB 3.73Å; L125-V135 HydrophobicContact CD1-CG1 3.83Å; L125-V135 HydrophobicContact CD1-CG2 4.37Å; L125-V135 HydrophobicContact CD2-CB 4.04Å; L125-V135 HydrophobicContact CD2-CG1 4.3Å; L125-V135 HydrophobicContact CD2-CG2 3.73Å; V135-S137 VanDerWaalsContact C-N 3.26Å; V135-S137 PolarHBondContact O-N 2.83Å; V135-S137 VanDerWaalsContact O-N 3.16Å
136	I	28.3	Very low	31.5	Very low	34 Å²	34	93.1 Å²	93.1	17%	0.174	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.9	-169.4	-53.5	172.5	0	0	0	113.4	F122 N138 F140 F146	F122-I136 HydrophobicContact CE1-CD1 3.79Å; F122-I136 HydrophobicContact CE1-CG1 4.24Å; F122-I136 HydrophobicContact CZ-CD1 3.94Å; F122-I136 HydrophobicContact CZ-CG1 4.11Å; F122-I136 HydrophobicContact CZ-CG2 4.32Å; I136-N138 PolarHBondContact O-N 3.31Å; I136-F140 HydrophobicContact CG2-CD2 3.86Å; I136-F140 HydrophobicContact CG2-CE2 4.05Å; I136-F146 HydrophobicContact CD1-CB 4.36Å; I136-F146 HydrophobicContact CG2-CB 3.75Å; I136-F146 HydrophobicContact CG2-CD1 4.46Å; I136-F146 HydrophobicContact CG2-CD2 3.35Å; I136-F146 HydrophobicContact CG2-CE2 4.12Å; I136-F146 HydrophobicContact CG2-CG 3.58Å
137	S	29.5	Very low	32.2	Very low	76 Å²	76	92.4 Å²	92.4	53%	0.531	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.6	-173.1	76.4	0	0	0	0	115.8	V135	V135-S137 VanDerWaalsContact C-N 3.26Å; V135-S137 PolarHBondContact O-N 2.83Å; V135-S137 VanDerWaalsContact O-N 3.16Å
138	N	30.6	Very low	32.6	Very low	146 Å²	146	89.7 Å²	89.7	78%	0.781	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-17	-167.7	-72.5	-3.9	0	0	0	114.5	I136	I136-N138 PolarHBondContact O-N 3.31Å
139	T	32	Very low	33.3	Very low	55 Å²	55	89.6 Å²	89.6	34%	0.337	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-24.8	-171.3	-4.3	0	0	0	0	112.9	Y118	Y118-T139 HydrophobicContact CD1-CG2 4.02Å; Y118-T139 HydrophobicContact CE1-CG2 3.43Å; Y118-T139 VanDerWaalsContact CE1-CG2 3.43Å; Y118-T139 WeakPolarHBondContact CE1-O 3.32Å; Y118-T139 PolarHBondContact OH-O 3.3Å
140	F	33.3	Very low	34	Very low	42 Å²	42	88.3 Å²	88.3	18%	0.184	47%	0.469	C	S	.	.	S	Bend	trans	-87.2	149	173.1	-70.5	-83.1	0	0	0	111	Y118 F122 I136 K142 F146	Y118-F140 HydrophobicContact CD1-CE2 4.42Å; Y118-F140 HydrophobicContact CD1-CZ 4.2Å; Y118-F140 HydrophobicContact CG-CE1 4.43Å; Y118-F140 HydrophobicContact CG-CZ 4.18Å; F122-F140 AromaticContact CE2-CE2 3.75Å; F122-F140 HydrophobicContact CE2-CE2 3.75Å; F122-F140 AromaticContact CE2-CZ 3.84Å; F122-F140 HydrophobicContact CE2-CZ 3.84Å; F122-F140 HydrophobicContact CZ-CE2 4.29Å; I136-F140 HydrophobicContact CG2-CD2 3.86Å; I136-F140 HydrophobicContact CG2-CE2 4.05Å; F140-K142 PolarHBondContact O-N 2.95Å; F140-F146 HydrophobicContact CB-CE2 3.67Å; F140-F146 HydrophobicContact CB-CZ 4.34Å; F140-F146 HydrophobicContact CD1-CE1 4.47Å; F140-F146 AromaticContact CD1-CE2 3.56Å; F140-F146 HydrophobicContact CD1-CE2 3.56Å; F140-F146 AromaticContact CD1-CZ 3.32Å; F140-F146 HydrophobicContact CD1-CZ 3.32Å; F140-F146 HydrophobicContact CD2-CD2 4.01Å; F140-F146 AromaticContact CD2-CE2 3.33Å; F140-F146 HydrophobicContact CD2-CE2 3.33Å; F140-F146 AromaticContact CD2-CZ 3.68Å; F140-F146 HydrophobicContact CD2-CZ 3.68Å; F140-F146 HydrophobicContact CE1-CE1 4.14Å; F140-F146 HydrophobicContact CE1-CE2 4.01Å; F140-F146 AromaticContact CE1-CZ 3.35Å; F140-F146 HydrophobicContact CE1-CZ 3.35Å; F140-F146 HydrophobicContact CE2-CD2 4.44Å; F140-F146 HydrophobicContact CE2-CE1 4.26Å; F140-F146 AromaticContact CE2-CE2 3.81Å; F140-F146 HydrophobicContact CE2-CE2 3.81Å; F140-F146 AromaticContact CE2-CZ 3.71Å; F140-F146 HydrophobicContact CE2-CZ 3.71Å; F140-F146 HydrophobicContact CG-CD2 4.23Å; F140-F146 AromaticContact CG-CE2 3.19Å; F140-F146 HydrophobicContact CG-CE2 3.19Å; F140-F146 AromaticContact CG-CZ 3.48Å; F140-F146 HydrophobicContact CG-CZ 3.48Å; F140-F146 VanDerWaalsContact CG-CZ 3.48Å; F140-F146 HydrophobicContact CZ-CE1 4.03Å; F140-F146 HydrophobicContact CZ-CE2 4.12Å; F140-F146 AromaticContact CZ-CZ 3.56Å; F140-F146 HydrophobicContact CZ-CZ 3.56Å
141	P	33.8	Very low	34.7	Very low	78 Å²	78	82.7 Å²	82.7	51%	0.506	44%	0.439	S	S	.	.			trans	-48.9	132.2	169.8	-21.2	29.9	0	0	0	108.2	N143 F144	P141-N143 PolarHBondContact O-N 2.86Å; P141-F144 HydrophobicContact CB-CD2 4.16Å; P141-F144 HydrophobicContact CB-CE2 4.41Å; P141-F144 HydrophobicContact CG-CD2 4.23Å; P141-F144 HydrophobicContact CG-CE2 4.31Å; P141-F144 PolarHBondContact O-N 2.86Å
142	K	36.7	Very low	35.8	Very low	150 Å²	150	86.4 Å²	86.4	65%	0.652	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-10.7	-175.3	-70.8	-178.1	178	176	0	115	F140 F177	F140-K142 PolarHBondContact O-N 2.95Å; K142-F177 WeakPolarHBondContact O-CD2 3.47Å
143	N	34.3	Very low	37	Very low	109 Å²	109	87.5 Å²	87.5	58%	0.583	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.1	-179.6	-58.2	-17.4	0	0	0	114.1	P141 P176 F177	P141-N143 PolarHBondContact O-N 2.86Å; N143-P176 CarbonylContact O-C 3.48Å; N143-P176 WeakPolarHBondContact O-CA 3.41Å; N143-F177 PolarHBondContact O-N 3.24Å
144	F	33.5	Very low	38.1	Very low	91 Å²	91	82.9 Å²	82.9	40%	0.399	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.3	177.5	-68.7	-80	0	0	0	111.9	P141 F146 I174	P141-F144 HydrophobicContact CB-CD2 4.16Å; P141-F144 HydrophobicContact CB-CE2 4.41Å; P141-F144 HydrophobicContact CG-CD2 4.23Å; P141-F144 HydrophobicContact CG-CE2 4.31Å; P141-F144 PolarHBondContact O-N 2.86Å; F144-F146 HydrophobicContact CB-CE2 3.9Å; F144-F146 HydrophobicContact CB-CZ 4.5Å; F144-I174 HydrophobicContact CD1-CG2 3.62Å; F144-I174 HydrophobicContact CE1-CG2 4.27Å; F144-I174 HydrophobicContact CG-CG2 4.41Å
145	Q	39.9	Very low	39.4	Very low	72 Å²	72	78.1 Å²	78.1	34%	0.336	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.3	165.7	-68	-171.7	4.6	0	0	109.5	S175 F177	Q145-S175 PolarHBondContact N-O 3.48Å; Q145-S175 PolarHBondContact O-N 3.49Å; Q145-S175 VanDerWaalsContact O-N 3.11Å; Q145-F177 HydrophobicContact CG-CD2 3.49Å; Q145-F177 VanDerWaalsContact CG-CD2 3.49Å; Q145-F177 HydrophobicContact CG-CE2 3.36Å; Q145-F177 HydrophobicContact CG-CG 4.36Å; Q145-F177 HydrophobicContact CG-CZ 4.15Å
146	F	39.7	Very low	40.8	Very low	39 Å²	39	83.4 Å²	83.4	17%	0.171	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.9	170	-67	-96.6	0	0	0	107.9	F122 I136 F140 F144 I174	F122-F146 HydrophobicContact CZ-CD1 4.48Å; I136-F146 HydrophobicContact CD1-CB 4.36Å; I136-F146 HydrophobicContact CG2-CB 3.75Å; I136-F146 HydrophobicContact CG2-CD1 4.46Å; I136-F146 HydrophobicContact CG2-CD2 3.35Å; I136-F146 HydrophobicContact CG2-CE2 4.12Å; I136-F146 HydrophobicContact CG2-CG 3.58Å; F140-F146 HydrophobicContact CB-CE2 3.67Å; F140-F146 HydrophobicContact CB-CZ 4.34Å; F140-F146 HydrophobicContact CD1-CE1 4.47Å; F140-F146 AromaticContact CD1-CE2 3.56Å; F140-F146 HydrophobicContact CD1-CE2 3.56Å; F140-F146 AromaticContact CD1-CZ 3.32Å; F140-F146 HydrophobicContact CD1-CZ 3.32Å; F140-F146 HydrophobicContact CD2-CD2 4.01Å; F140-F146 AromaticContact CD2-CE2 3.33Å; F140-F146 HydrophobicContact CD2-CE2 3.33Å; F140-F146 AromaticContact CD2-CZ 3.68Å; F140-F146 HydrophobicContact CD2-CZ 3.68Å; F140-F146 HydrophobicContact CE1-CE1 4.14Å; F140-F146 HydrophobicContact CE1-CE2 4.01Å; F140-F146 AromaticContact CE1-CZ 3.35Å; F140-F146 HydrophobicContact CE1-CZ 3.35Å; F140-F146 HydrophobicContact CE2-CD2 4.44Å; F140-F146 HydrophobicContact CE2-CE1 4.26Å; F140-F146 AromaticContact CE2-CE2 3.81Å; F140-F146 HydrophobicContact CE2-CE2 3.81Å; F140-F146 AromaticContact CE2-CZ 3.71Å; F140-F146 HydrophobicContact CE2-CZ 3.71Å; F140-F146 HydrophobicContact CG-CD2 4.23Å; F140-F146 AromaticContact CG-CE2 3.19Å; F140-F146 HydrophobicContact CG-CE2 3.19Å; F140-F146 AromaticContact CG-CZ 3.48Å; F140-F146 HydrophobicContact CG-CZ 3.48Å; F140-F146 VanDerWaalsContact CG-CZ 3.48Å; F140-F146 HydrophobicContact CZ-CE1 4.03Å; F140-F146 HydrophobicContact CZ-CE2 4.12Å; F140-F146 AromaticContact CZ-CZ 3.56Å; F140-F146 HydrophobicContact CZ-CZ 3.56Å; F144-F146 HydrophobicContact CB-CE2 3.9Å; F144-F146 HydrophobicContact CB-CZ 4.5Å; F146-I174 HydrophobicContact CD1-CD1 4.36Å; F146-I174 HydrophobicContact CD1-CG1 3.95Å; F146-I174 HydrophobicContact CE1-CD1 3.61Å; F146-I174 HydrophobicContact CE1-CG1 3.66Å; F146-I174 HydrophobicContact CE1-CG2 4.24Å; F146-I174 HydrophobicContact CZ-CD1 4.3Å; F146-I174 HydrophobicContact CZ-CG1 4.46Å; F146-I174 HydrophobicContact CZ-CG2 4.23Å
147	Q	42.9	Very low	42	Very low	61 Å²	61	84 Å²	84	29%	0.285	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.2	175.3	-65	-173.1	13.3	0	0	108.9	R149 G173	Q147-R149 PolarHBondContact O-N 3.39Å; Q147-R149 VanDerWaalsContact OE1-NH2 3.07Å; Q147-G173 PolarHBondContact N-O 3.43Å
148	L	40.4	Very low	43	Very low	121 Å²	121	80.6 Å²	80.6	63%	0.634	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	115.7	163.9	-164.7	84.4	0	0	0	107	F172	L148-F172 HydrophobicContact CD1-CD1 4.02Å; L148-F172 HydrophobicContact CD1-CE1 3.35Å; L148-F172 HydrophobicContact CD1-CZ 3.86Å
149	R	43.9	Very low	43.8	Very low	58 Å²	58	78 Å²	78	22%	0.219	39%	0.39	C	S	.	.			trans	-94.5	140.8	178.1	-63.6	-66.8	-165.7	177.4	0.7	109.3	Q147 Q153 L154 E184	Q147-R149 PolarHBondContact O-N 3.39Å; Q147-R149 VanDerWaalsContact OE1-NH2 3.07Å; R149-Q153 VanDerWaalsContact CA-OE1 3.28Å; R149-Q153 HydrophobicContact CB-CB 4.04Å; R149-L154 HydrophobicContact CB-CD2 3.88Å; R149-L154 HydrophobicContact CB-CG 3.79Å; R149-L154 HydrophobicContact CG-CD2 4.45Å; R149-E184 IonicContact NH2-OE1 3.99Å; R149-E184 PolarHBondContact NH2-OE1 3.14Å; R149-E184 IonicContact NH2-OE2 2.93Å
150	T	46.2	Very low	44.4	Very low	80 Å²	80	78.7 Å²	78.7	49%	0.491	39%	0.392	S	S	.	.			trans	-72.2	160.3	171.8	66.4	0	0	0	0	110.6	D152 Q153 L154	T150-D152 PolarHBondContact O-N 2.83Å; T150-D152 VanDerWaalsContact O-N 3.14Å; T150-Q153 WeakPolarHBondContact O-CA 3.3Å; T150-Q153 WeakPolarHBondContact O-CB 3.47Å; T150-Q153 PolarHBondContact O-N 3.4Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.33Å; T150-L154 PolarHBondContact O-N 3.25Å
151	D	46.9	Very low	44.5	Very low	72 Å²	72	80 Å²	80	39%	0.385	42%	0.417	S	S	.	.	H	α-helix	trans	-48.4	-42.9	175.9	-70.5	25.5	0	0	0	112.8	Q153 L154 K155 H165	D151-Q153 VanDerWaalsContact C-N 3.33Å; D151-Q153 PolarHBondContact O-N 2.88Å; D151-L154 PolarHBondContact O-N 2.89Å; D151-K155 WeakPolarHBondContact O-CB 3.49Å; D151-K155 VanDerWaalsContact O-CG 3.23Å; D151-K155 WeakPolarHBondContact O-CG 3.43Å; D151-K155 PolarHBondContact O-N 3.16Å; D151-H165 IonicContact OD1-CD2 3.02Å; D151-H165 PolarHBondContact OD1-CD2 3.5Å; D151-H165 IonicContact OD1-NE2 3.74Å; D151-H165 IonicContact OD2-CD2 3.92Å
152	D	50.7	Low	44.8	Very low	103 Å²	103	79.6 Å²	79.6	55%	0.551	41%	0.411	S	S	*	.	H	α-helix	trans	-72.2	-27	-178.8	-66.3	-24	0	0	0	113	T150 K155 K156	T150-D152 PolarHBondContact O-N 2.83Å; T150-D152 VanDerWaalsContact O-N 3.14Å; D152-K155 IonicContact OD1-NZ 3.11Å; D152-K155 PolarHBondContact OD1-NZ 2.93Å; D152-K155 VanDerWaalsContact OD1-NZ 3.11Å; D152-K156 WeakPolarHBondContact O-CG 3.28Å
153	Q	51.3	Low	44.7	Very low	72 Å²	72	78.4 Å²	78.4	34%	0.336	41%	0.409	S	S	.	.	H	α-helix	trans	-74.1	-42.9	170.8	-69.9	174.4	-27.4	0	0	110.7	R149 T150 D151 K156	R149-Q153 VanDerWaalsContact CA-OE1 3.28Å; R149-Q153 HydrophobicContact CB-CB 4.04Å; T150-Q153 WeakPolarHBondContact O-CA 3.3Å; T150-Q153 WeakPolarHBondContact O-CB 3.47Å; T150-Q153 PolarHBondContact O-N 3.4Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.33Å; D151-Q153 VanDerWaalsContact C-N 3.33Å; D151-Q153 PolarHBondContact O-N 2.88Å; Q153-K156 WeakPolarHBondContact O-CB 3.38Å; Q153-K156 PolarHBondContact O-N 3.32Å; Q153-K156 VanDerWaalsContact O-N 3.17Å
154	L	50.7	Low	45.2	Very low	3 Å²	3	74 Å²	74	2%	0.016	39%	0.385	C	S	.	.	H	α-helix	trans	-63.5	-41.3	176.9	-72.2	172.2	0	0	0	111.8	R149 T150 D151 K156 I157 F158 I164 V171	R149-L154 HydrophobicContact CB-CD2 3.88Å; R149-L154 HydrophobicContact CB-CG 3.79Å; R149-L154 HydrophobicContact CG-CD2 4.45Å; T150-L154 PolarHBondContact O-N 3.25Å; D151-L154 PolarHBondContact O-N 2.89Å; L154-K156 PolarHBondContact O-N 2.9Å; L154-K156 VanDerWaalsContact O-N 3.14Å; L154-I157 PolarHBondContact O-N 3.07Å; L154-F158 HydrophobicContact CD2-CD2 4.45Å; L154-F158 HydrophobicContact CD2-CE2 4.29Å; L154-F158 WeakPolarHBondContact O-CD2 3.22Å; L154-F158 PolarHBondContact O-N 3.48Å; L154-I164 HydrophobicContact CB-CD1 3.74Å; L154-I164 HydrophobicContact CD1-CB 4.43Å; L154-I164 HydrophobicContact CD1-CD1 4.33Å; L154-I164 HydrophobicContact CD1-CG2 3.94Å; L154-I164 HydrophobicContact CD2-CD1 4.47Å; L154-I164 HydrophobicContact CG-CD1 4.41Å; L154-V171 HydrophobicContact CD2-CG1 4.35Å
155	K	53.4	Low	45.3	Very low	117 Å²	117	73.3 Å²	73.3	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-58.8	-24.1	174.4	-75.8	170.6	-165.2	159.8	0	113.7	D151 D152 I157 F158 P159	D151-K155 WeakPolarHBondContact O-CB 3.49Å; D151-K155 VanDerWaalsContact O-CG 3.23Å; D151-K155 WeakPolarHBondContact O-CG 3.43Å; D151-K155 PolarHBondContact O-N 3.16Å; D152-K155 IonicContact OD1-NZ 3.11Å; D152-K155 PolarHBondContact OD1-NZ 2.93Å; D152-K155 VanDerWaalsContact OD1-NZ 3.11Å; K155-I157 VanDerWaalsContact C-N 3.35Å; K155-F158 WeakPolarHBondContact CA-O 3.34Å; K155-F158 CarbonylContact O-C 3.35Å; K155-P159 WeakPolarHBondContact O-CA 3.49Å
156	K	59.6	Low	44.9	Very low	172 Å²	172	77.6 Å²	77.6	75%	0.748	40%	0.4	S	S	*	.	H	α-helix	trans	-74.7	-29.1	175.3	-68.5	173.1	-176	-178.7	0	112.3	D152 Q153 L154	D152-K156 WeakPolarHBondContact O-CG 3.28Å; Q153-K156 WeakPolarHBondContact O-CB 3.38Å; Q153-K156 PolarHBondContact O-N 3.32Å; Q153-K156 VanDerWaalsContact O-N 3.17Å; L154-K156 PolarHBondContact O-N 2.9Å; L154-K156 VanDerWaalsContact O-N 3.14Å
157	I	52.6	Low	44.7	Very low	47 Å²	47	78.1 Å²	78.1	24%	0.241	42%	0.417	C	S	.	.	H	α-helix	trans	-88.8	-40.1	-179.3	-58.6	161.6	0	0	0	109.6	L154 K155 P159 F186 K203	L154-I157 PolarHBondContact O-N 3.07Å; K155-I157 VanDerWaalsContact C-N 3.35Å; I157-P159 VanDerWaalsContact C-CD 3.42Å; I157-P159 WeakPolarHBondContact O-CD 3.39Å; I157-F186 HydrophobicContact CD1-CE1 3.8Å; I157-F186 HydrophobicContact CD1-CZ 3.76Å; I157-F186 HydrophobicContact CG2-CE1 4.49Å; I157-F186 HydrophobicContact CG2-CE2 4.09Å; I157-F186 HydrophobicContact CG2-CZ 3.98Å; I157-K203 PolarHBondContact O-NZ 3.45Å; I157-K203 VanDerWaalsContact O-NZ 3.14Å
158	F	50.3	Low	44.3	Very low	5 Å²	5	79.7 Å²	79.7	2%	0.022	44%	0.435	C	S	.	.	S	Bend	trans	-116.6	75.9	177.4	-52.6	-83.6	0	0	0	109.2	L154 K155 L160 I164 F186 V200 K203 L204	L154-F158 HydrophobicContact CD2-CD2 4.45Å; L154-F158 HydrophobicContact CD2-CE2 4.29Å; L154-F158 WeakPolarHBondContact O-CD2 3.22Å; L154-F158 PolarHBondContact O-N 3.48Å; K155-F158 WeakPolarHBondContact CA-O 3.34Å; K155-F158 CarbonylContact O-C 3.35Å; F158-L160 PolarHBondContact O-N 3.14Å; F158-I164 HydrophobicContact CB-CD1 3.82Å; F158-I164 HydrophobicContact CD2-CD1 3.49Å; F158-I164 VanDerWaalsContact CD2-CD1 3.49Å; F158-I164 HydrophobicContact CE2-CD1 4.26Å; F158-I164 HydrophobicContact CG-CD1 3.83Å; F158-F186 HydrophobicContact CE2-CD1 4.5Å; F158-F186 HydrophobicContact CZ-CB 4.42Å; F158-F186 HydrophobicContact CZ-CG 4.3Å; F158-V200 HydrophobicContact CD1-CB 4.19Å; F158-V200 HydrophobicContact CD1-CG1 3.89Å; F158-V200 HydrophobicContact CD1-CG2 3.98Å; F158-V200 HydrophobicContact CE1-CB 4.46Å; F158-V200 HydrophobicContact CE1-CG1 3.9Å; F158-K203 HydrophobicContact CD1-CB 4.23Å; F158-K203 HydrophobicContact CD1-CD 3.98Å; F158-K203 HydrophobicContact CE1-CB 3.5Å; F158-K203 VanDerWaalsContact CE1-CB 3.5Å; F158-K203 HydrophobicContact CE1-CD 4.08Å; F158-K203 HydrophobicContact CE1-CG 4.44Å; F158-K203 HydrophobicContact CZ-CB 4.22Å; F158-L204 HydrophobicContact CZ-CD2 4.2Å
159	P	48.5	Very low	44.3	Very low	90 Å²	90	74.9 Å²	74.9	58%	0.584	41%	0.409	S	S	*	.			trans	-69.3	-18.4	-176.2	26.6	-34	0	0	0	113.9	K155 I157 G161	K155-P159 WeakPolarHBondContact O-CA 3.49Å; I157-P159 VanDerWaalsContact C-CD 3.42Å; I157-P159 WeakPolarHBondContact O-CD 3.39Å; P159-G161 PolarHBondContact O-N 3.06Å
160	L	44.3	Very low	44.3	Very low	71 Å²	71	77.7 Å²	77.7	37%	0.372	42%	0.42	S	S	.	.	S	Bend	trans	-63.6	119.6	168.3	-65.1	-179.6	0	0	0	107.6	F158 D162 E199	F158-L160 PolarHBondContact O-N 3.14Å; L160-D162 PolarHBondContact O-N 3.2Å; L160-E199 HydrophobicContact CD1-CB 4.03Å; L160-E199 HydrophobicContact CD1-CG 4.41Å; L160-E199 WeakPolarHBondContact CD1-OE2 3.08Å
161	G	35.3	Very low	44.2	Very low	70 Å²	70	74.2 Å²	74.2	72%	0.722	40%	0.399	S	S	*	.			trans	-63.4	24.7	-178.3	0	0	0	0	0	115.5	P159 M163	P159-G161 PolarHBondContact O-N 3.06Å; G161-M163 PolarHBondContact O-N 3.49Å
162	D	38.8	Very low	44	Very low	69 Å²	69	72 Å²	72	37%	0.369	39%	0.386	S	S	.	.			trans	-61	88.7	162.3	-71.6	-19	0	0	0	106.8	L160 I164 S197	L160-D162 PolarHBondContact O-N 3.2Å; D162-I164 PolarHBondContact O-N 3.29Å; D162-S197 VanDerWaalsContact OD2-CB 3.26Å; D162-S197 WeakPolarHBondContact OD2-CB 3.48Å; D162-S197 PolarHBondContact OD2-OG 3.32Å
163	M	35.3	Very low	43.5	Very low	125 Å²	125	67.2 Å²	67.2	62%	0.616	36%	0.361	S	S	*	.			trans	-43.5	104.7	178.1	-70.9	178.2	180	0	0	109.7	G161 H165 K166	G161-M163 PolarHBondContact O-N 3.49Å; M163-H165 PolarHBondContact O-N 2.85Å; M163-H165 VanDerWaalsContact O-N 3.07Å; M163-K166 HydrophobicContact CB-CB 4.2Å; M163-K166 HydrophobicContact CB-CD 4.39Å; M163-K166 HydrophobicContact CB-CG 3.93Å; M163-K166 HydrophobicContact CG-CG 4.49Å; M163-K166 PolarHBondContact O-N 3.18Å; M163-K166 VanDerWaalsContact O-N 3.15Å; M163-K166 HydrophobicContact SD-CD 4.05Å; M163-K166 VanDerWaalsContact SD-CE 3.57Å; M163-K166 HydrophobicContact SD-CG 3.76Å
164	I	44.2	Very low	43	Very low	16 Å²	16	65.4 Å²	65.4	8%	0.082	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.2	173.9	-66.1	164.1	0	0	0	110.3	L154 F158 D162 V171	L154-I164 HydrophobicContact CB-CD1 3.74Å; L154-I164 HydrophobicContact CD1-CB 4.43Å; L154-I164 HydrophobicContact CD1-CD1 4.33Å; L154-I164 HydrophobicContact CD1-CG2 3.94Å; L154-I164 HydrophobicContact CD2-CD1 4.47Å; L154-I164 HydrophobicContact CG-CD1 4.41Å; F158-I164 HydrophobicContact CB-CD1 3.82Å; F158-I164 HydrophobicContact CD2-CD1 3.49Å; F158-I164 VanDerWaalsContact CD2-CD1 3.49Å; F158-I164 HydrophobicContact CE2-CD1 4.26Å; F158-I164 HydrophobicContact CG-CD1 3.83Å; D162-I164 PolarHBondContact O-N 3.29Å; I164-V171 HydrophobicContact CG2-CB 3.8Å; I164-V171 HydrophobicContact CG2-CG2 3.38Å
165	H	37	Very low	42.2	Very low	77 Å²	77	66.2 Å²	66.2	36%	0.356	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	37.1	174.2	-95.4	-63.2	0	0	0	115.2	D151 M163 G167 Y170	D151-H165 IonicContact OD1-CD2 3.02Å; D151-H165 PolarHBondContact OD1-CD2 3.5Å; D151-H165 IonicContact OD1-NE2 3.74Å; D151-H165 IonicContact OD2-CD2 3.92Å; M163-H165 PolarHBondContact O-N 2.85Å; M163-H165 VanDerWaalsContact O-N 3.07Å; H165-G167 VanDerWaalsContact C-N 3.3Å; H165-G167 PolarHBondContact O-N 3.34Å; H165-G167 VanDerWaalsContact O-N 3.16Å; H165-Y170 AromaticContact CE1-CD1 3.93Å; H165-Y170 AromaticContact CE1-CE1 3.91Å
166	K	31.3	Very low	41.2	Very low	161 Å²	161	62.9 Å²	62.9	70%	0.7	35%	0.35	S	S	*	.	S	Bend	trans	-84.1	75.1	162.8	-103.4	-175.6	-179.5	176.8	0	110.9	M163	M163-K166 HydrophobicContact CB-CB 4.2Å; M163-K166 HydrophobicContact CB-CD 4.39Å; M163-K166 HydrophobicContact CB-CG 3.93Å; M163-K166 HydrophobicContact CG-CG 4.49Å; M163-K166 PolarHBondContact O-N 3.18Å; M163-K166 VanDerWaalsContact O-N 3.15Å; M163-K166 HydrophobicContact SD-CD 4.05Å; M163-K166 VanDerWaalsContact SD-CE 3.57Å; M163-K166 HydrophobicContact SD-CG 3.76Å
167	G	35.1	Very low	39.8	Very low	51 Å²	51	60.4 Å²	60.4	53%	0.526	34%	0.339	S	S	.	.	S	Bend	trans	110.4	-156.3	174.5	0	0	0	0	0	114.4	H165 H169	H165-G167 VanDerWaalsContact C-N 3.3Å; H165-G167 PolarHBondContact O-N 3.34Å; H165-G167 VanDerWaalsContact O-N 3.16Å; G167-H169 PolarHBondContact O-N 3.37Å
168	S	35.1	Very low	38.8	Very low	94 Å²	94	61 Å²	61	66%	0.657	35%	0.348	S	S	*	.	S	Bend	trans	-73.9	38.6	-171.9	-40.4	0	0	0	0	114.2
169	H	39.4	Very low	38.2	Very low	20 Å²	20	66.9 Å²	66.9	9%	0.093	39%	0.389	C	S	.	.			trans	-118.1	136	-173	-54.8	88.3	0	0	0	110.9	G167 K191	G167-H169 PolarHBondContact O-N 3.37Å; H169-K191 PolarHBondContact CD2-O 2.91Å; H169-K191 PolarHBondContact NE2-O 3.29Å
170	Y	44.9	Very low	37.5	Very low	116 Å²	116	67.7 Å²	67.7	46%	0.455	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.7	173.9	-63.7	-85	0	0	0	109	H165 F172 L189	H165-Y170 AromaticContact CE1-CD1 3.93Å; H165-Y170 AromaticContact CE1-CE1 3.91Å; Y170-F172 HydrophobicContact CG-CE2 4.33Å; Y170-L189 PolarHBondContact N-O 3.12Å; Y170-L189 PolarHBondContact O-N 3.48Å; Y170-L189 VanDerWaalsContact O-O 3.1Å
171	V	42.8	Very low	37.2	Very low	8 Å²	8	72.4 Å²	72.4	5%	0.048	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.4	172	175.5	0	0	0	0	108.3	L154 I164 L204	L154-V171 HydrophobicContact CD2-CG1 4.35Å; I164-V171 HydrophobicContact CG2-CB 3.8Å; I164-V171 HydrophobicContact CG2-CG2 3.38Å; V171-L204 HydrophobicContact CG1-CD2 3.94Å
172	F	44.6	Very low	37.5	Very low	24 Å²	24	70.3 Å²	70.3	11%	0.105	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.3	-179.7	-68.2	-93	0	0	0	110.2	F122 L148 Y170 F186 V187 L189	F122-F172 HydrophobicContact CE1-CE1 4.35Å; L148-F172 HydrophobicContact CD1-CD1 4.02Å; L148-F172 HydrophobicContact CD1-CE1 3.35Å; L148-F172 HydrophobicContact CD1-CZ 3.86Å; Y170-F172 HydrophobicContact CG-CE2 4.33Å; F172-F186 WeakPolarHBondContact O-CA 3.45Å; F172-V187 PolarHBondContact N-O 2.73Å; F172-V187 PolarHBondContact O-N 2.97Å; F172-L189 HydrophobicContact CD2-CB 4.26Å; F172-L189 HydrophobicContact CD2-CD1 3.65Å; F172-L189 HydrophobicContact CD2-CG 3.91Å; F172-L189 HydrophobicContact CE2-CB 4.18Å; F172-L189 HydrophobicContact CE2-CD1 3.58Å; F172-L189 HydrophobicContact CE2-CG 4.12Å; F172-L189 HydrophobicContact CZ-CD1 4.5Å
173	G	40.2	Very low	38	Very low	3 Å²	3	71.4 Å²	71.4	3%	0.031	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.2	165.8	0	0	0	0	0	109.6	Q147	Q147-G173 PolarHBondContact N-O 3.43Å
174	I	39.2	Very low	38.6	Very low	34 Å²	34	68.2 Å²	68.2	17%	0.174	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.9	173.5	-53.2	-178.2	0	0	0	107.2	F144 F146 T185 V187	F144-I174 HydrophobicContact CD1-CG2 3.62Å; F144-I174 HydrophobicContact CE1-CG2 4.27Å; F144-I174 HydrophobicContact CG-CG2 4.41Å; F146-I174 HydrophobicContact CD1-CD1 4.36Å; F146-I174 HydrophobicContact CD1-CG1 3.95Å; F146-I174 HydrophobicContact CE1-CD1 3.61Å; F146-I174 HydrophobicContact CE1-CG1 3.66Å; F146-I174 HydrophobicContact CE1-CG2 4.24Å; F146-I174 HydrophobicContact CZ-CD1 4.3Å; F146-I174 HydrophobicContact CZ-CG1 4.46Å; F146-I174 HydrophobicContact CZ-CG2 4.23Å; I174-T185 WeakPolarHBondContact CA-O 3.14Å; I174-T185 PolarHBondContact N-O 2.84Å; I174-T185 WeakPolarHBondContact O-CA 3.47Å; I174-T185 WeakPolarHBondContact O-CB 3.47Å; I174-T185 PolarHBondContact O-N 2.92Å; I174-V187 HydrophobicContact CD1-CB 4.27Å; I174-V187 HydrophobicContact CD1-CG2 3.59Å; I174-V187 HydrophobicContact CG1-CG2 4.19Å
175	S	33.8	Very low	38.5	Very low	20 Å²	20	69.7 Å²	69.7	14%	0.14	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.6	179.7	-170.1	0	0	0	0	111.2	Q145	Q145-S175 PolarHBondContact N-O 3.48Å; Q145-S175 PolarHBondContact O-N 3.49Å; Q145-S175 VanDerWaalsContact O-N 3.11Å
176	P	32.2	Very low	38.9	Very low	47 Å²	47	66.9 Å²	66.9	31%	0.305	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.9	166.6	19.6	-18.8	0	0	0	110.4	N143 S178	N143-P176 CarbonylContact O-C 3.48Å; N143-P176 WeakPolarHBondContact O-CA 3.41Å; P176-S178 PolarHBondContact O-N 3.4Å
177	F	31.6	Very low	39.7	Very low	120 Å²	120	59.7 Å²	59.7	53%	0.526	36%	0.36	S	S	.	.	S	Bend	trans	-62.5	2.6	-170.8	-131.2	-85.9	0	0	0	115.9	K142 N143 Q145 S179	K142-F177 WeakPolarHBondContact O-CD2 3.47Å; N143-F177 PolarHBondContact O-N 3.24Å; Q145-F177 HydrophobicContact CG-CD2 3.49Å; Q145-F177 VanDerWaalsContact CG-CD2 3.49Å; Q145-F177 HydrophobicContact CG-CE2 3.36Å; Q145-F177 HydrophobicContact CG-CG 4.36Å; Q145-F177 HydrophobicContact CG-CZ 4.15Å; F177-S179 PolarHBondContact O-N 2.96Å
178	S	30.9	Very low	40.3	Very low	60 Å²	60	57.5 Å²	57.5	42%	0.42	34%	0.336	S	S	.	.			trans	-77.1	112.3	179.6	69	0	0	0	0	110.3	P176 T180	P176-S178 PolarHBondContact O-N 3.4Å; S178-T180 PolarHBondContact O-N 3.04Å
179	S	37.1	Very low	40.7	Very low	128 Å²	128	54.3 Å²	54.3	90%	0.895	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-5.4	174.2	52.3	0	0	0	0	114.2	F177	F177-S179 PolarHBondContact O-N 2.96Å
180	T	33.4	Very low	40.8	Very low	107 Å²	107	53.7 Å²	53.7	66%	0.656	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	95.2	177.2	51	0	0	0	0	110.2	S178 G182	S178-T180 PolarHBondContact O-N 3.04Å; T180-G182 PolarHBondContact O-N 2.93Å
181	N	39.5	Very low	40.6	Very low	170 Å²	170	54.1 Å²	54.1	91%	0.909	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	27.7	166.2	-67.4	-9.8	0	0	0	116.8	S183	N181-S183 PolarHBondContact O-N 2.79Å; N181-S183 VanDerWaalsContact O-N 3.15Å
182	G	42.2	Very low	40.6	Very low	27 Å²	27	59.9 Å²	59.9	28%	0.278	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-61.3	118.3	174.9	0	0	0	0	0	110	T180 E184	T180-G182 PolarHBondContact O-N 2.93Å; G182-E184 PolarHBondContact O-N 3.47Å; G182-E184 VanDerWaalsContact O-N 3.16Å
183	S	49	Very low	40.5	Very low	91 Å²	91	65.7 Å²	65.7	64%	0.636	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-59.2	116.3	171.3	52.2	0	0	0	0	108.8	N181 T185	N181-S183 PolarHBondContact O-N 2.79Å; N181-S183 VanDerWaalsContact O-N 3.15Å; S183-T185 PolarHBondContact O-N 2.9Å
184	E	46.1	Very low	40.8	Very low	59 Å²	59	73.8 Å²	73.8	28%	0.276	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-65.1	131.8	170.9	-65.7	-168.7	151.2	0	0	109	R149 G182 F186	R149-E184 IonicContact NH2-OE1 3.99Å; R149-E184 PolarHBondContact NH2-OE1 3.14Å; R149-E184 IonicContact NH2-OE2 2.93Å; G182-E184 PolarHBondContact O-N 3.47Å; G182-E184 VanDerWaalsContact O-N 3.16Å; E184-F186 HydrophobicContact CB-CE2 3.97Å; E184-F186 HydrophobicContact CB-CZ 3.92Å; E184-F186 VanDerWaalsContact OE2-CZ 3.3Å; E184-F186 WeakPolarHBondContact OE2-CZ 3.45Å
185	T	43.4	Very low	41.6	Very low	47 Å²	47	77 Å²	77	29%	0.288	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	111.8	175.9	-61	0	0	0	0	108.3	I174 S183 V187	I174-T185 WeakPolarHBondContact CA-O 3.14Å; I174-T185 PolarHBondContact N-O 2.84Å; I174-T185 WeakPolarHBondContact O-CA 3.47Å; I174-T185 WeakPolarHBondContact O-CB 3.47Å; I174-T185 PolarHBondContact O-N 2.92Å; S183-T185 PolarHBondContact O-N 2.9Å; T185-V187 HydrophobicContact CG2-CG2 4.48Å
186	F	45.9	Very low	42.5	Very low	18 Å²	18	77.5 Å²	77.5	8%	0.079	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134	178.1	-60.9	-82.8	0	0	0	111	I157 F158 F172 E184 L204 G206	I157-F186 HydrophobicContact CD1-CE1 3.8Å; I157-F186 HydrophobicContact CD1-CZ 3.76Å; I157-F186 HydrophobicContact CG2-CE1 4.49Å; I157-F186 HydrophobicContact CG2-CE2 4.09Å; I157-F186 HydrophobicContact CG2-CZ 3.98Å; F158-F186 HydrophobicContact CE2-CD1 4.5Å; F158-F186 HydrophobicContact CZ-CB 4.42Å; F158-F186 HydrophobicContact CZ-CG 4.3Å; F172-F186 WeakPolarHBondContact O-CA 3.45Å; E184-F186 HydrophobicContact CB-CE2 3.97Å; E184-F186 HydrophobicContact CB-CZ 3.92Å; E184-F186 VanDerWaalsContact OE2-CZ 3.3Å; E184-F186 WeakPolarHBondContact OE2-CZ 3.45Å; F186-L204 HydrophobicContact CB-CD2 3.7Å; F186-L204 CarbonylContact O-C 3.59Å; F186-G206 WeakPolarHBondContact O-CA 3.49Å; F186-G206 PolarHBondContact O-N 2.97Å
187	V	47.8	Very low	43.7	Very low	10 Å²	10	77 Å²	77	6%	0.061	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.6	-178	-177.9	0	0	0	0	110	F172 I174 T185 L189 Y209	F172-V187 PolarHBondContact N-O 2.73Å; F172-V187 PolarHBondContact O-N 2.97Å; I174-V187 HydrophobicContact CD1-CB 4.27Å; I174-V187 HydrophobicContact CD1-CG2 3.59Å; I174-V187 HydrophobicContact CG1-CG2 4.19Å; T185-V187 HydrophobicContact CG2-CG2 4.48Å; V187-L189 HydrophobicContact CG1-CD2 4.39Å; V187-Y209 HydrophobicContact CG1-CD2 3.34Å; V187-Y209 HydrophobicContact CG1-CE2 3.64Å
188	K	46.9	Very low	45.1	Very low	5 Å²	5	75.5 Å²	75.5	2%	0.022	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129	172.2	-174.3	-166.7	-169.6	163.8	0	110.2	K194 F196 L204 F208 Y209	K188-K194 PolarHBondContact NZ-O 3.17Å; K188-F196 HydrophobicContact CD-CD2 4.09Å; K188-F196 HydrophobicContact CD-CE2 3.47Å; K188-F196 VanDerWaalsContact CD-CE2 3.47Å; K188-F196 HydrophobicContact CD-CZ 4.4Å; K188-F196 HydrophobicContact CG-CE2 3.97Å; K188-L204 HydrophobicContact CB-CD1 4.29Å; K188-F208 HydrophobicContact CB-CD1 3.9Å; K188-F208 HydrophobicContact CB-CE1 4.47Å; K188-F208 HydrophobicContact CD-CD1 3.66Å; K188-F208 HydrophobicContact CD-CE1 4.13Å; K188-F208 HydrophobicContact CG-CD1 4.43Å; K188-Y209 PolarHBondContact O-N 3.14Å; K188-Y209 VanDerWaalsContact O-N 3.07Å
189	L	43.5	Very low	46.4	Very low	27 Å²	27	76 Å²	76	14%	0.141	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.7	167.7	-65.8	-170.3	0	0	0	109.5	Y170 F172 V187 F211	Y170-L189 PolarHBondContact N-O 3.12Å; Y170-L189 PolarHBondContact O-N 3.48Å; Y170-L189 VanDerWaalsContact O-O 3.1Å; F172-L189 HydrophobicContact CD2-CB 4.26Å; F172-L189 HydrophobicContact CD2-CD1 3.65Å; F172-L189 HydrophobicContact CD2-CG 3.91Å; F172-L189 HydrophobicContact CE2-CB 4.18Å; F172-L189 HydrophobicContact CE2-CD1 3.58Å; F172-L189 HydrophobicContact CE2-CG 4.12Å; F172-L189 HydrophobicContact CZ-CD1 4.5Å; V187-L189 HydrophobicContact CG1-CD2 4.39Å; L189-F211 HydrophobicContact CB-CE2 3.86Å; L189-F211 HydrophobicContact CB-CZ 4.42Å; L189-F211 HydrophobicContact CD2-CE2 4.09Å; L189-F211 HydrophobicContact CD2-CZ 4.38Å; L189-F211 HydrophobicContact CG-CE2 4.44Å
190	G	41.9	Very low	47.3	Very low	6 Å²	6	70.2 Å²	70.2	6%	0.062	39%	0.385	C	S	.	.	S	Bend	trans	160.4	174.6	170.1	0	0	0	0	0	114.8	Y209	G190-Y209 PolarHBondContact N-O 2.7Å
191	K	41.1	Very low	48.4	Very low	126 Å²	126	68.5 Å²	68.5	55%	0.548	37%	0.369	S	S	.	.			trans	-66	135	180	-74.7	-171.7	173.8	-174.7	0	111.7	H169 E193	H169-K191 PolarHBondContact CD2-O 2.91Å; H169-K191 PolarHBondContact NE2-O 3.29Å; K191-E193 VanDerWaalsContact C-N 3.27Å; K191-E193 HydrophobicContact CB-CG 4.34Å; K191-E193 PolarHBondContact O-N 2.83Å
192	Q	41.3	Very low	49.3	Very low	129 Å²	129	67.5 Å²	67.5	60%	0.603	36%	0.359	S	S	*	.			trans	-73.1	77.4	177.3	-161.4	175.8	15.6	0	0	111.3	Y210	Q192-Y210 HydrophobicContact CB-CD1 3.42Å; Q192-Y210 VanDerWaalsContact CB-CD1 3.42Å; Q192-Y210 HydrophobicContact CB-CE1 3.61Å; Q192-Y210 HydrophobicContact CB-CG 4.01Å; Q192-Y210 HydrophobicContact CG-CD1 3.83Å; Q192-Y210 HydrophobicContact CG-CE1 3.44Å; Q192-Y210 VanDerWaalsContact CG-CE1 3.44Å; Q192-Y210 PolarHBondContact NE2-OH 3.16Å
193	E	44.1	Very low	49.9	Very low	145 Å²	145	69.3 Å²	69.3	68%	0.678	36%	0.359	S	S	*	.	S	Bend	trans	-97.2	-30.2	176.2	-70.7	-170.9	178.3	0	0	112.6	K191	K191-E193 VanDerWaalsContact C-N 3.27Å; K191-E193 HydrophobicContact CB-CG 4.34Å; K191-E193 PolarHBondContact O-N 2.83Å
194	K	46.5	Very low	50.1	Low	173 Å²	173	65.2 Å²	65.2	75%	0.752	33%	0.33	S	S	*	.	S	Bend	trans	-145.3	141.1	174.3	-65.9	-172.4	179.8	178.5	0	111.8	K188	K188-K194 PolarHBondContact NZ-O 3.17Å
195	S	54.7	Low	50.3	Low	101 Å²	101	68.2 Å²	68.2	71%	0.706	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-67.7	149.2	167.9	52.6	0	0	0	0	109.9
196	F	54.2	Low	50.6	Low	31 Å²	31	66.9 Å²	66.9	14%	0.136	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-81.6	171.2	169.8	-77	-64.1	0	0	0	109.8	K188 V200 E201 L204 F208	K188-F196 HydrophobicContact CD-CD2 4.09Å; K188-F196 HydrophobicContact CD-CE2 3.47Å; K188-F196 VanDerWaalsContact CD-CE2 3.47Å; K188-F196 HydrophobicContact CD-CZ 4.4Å; K188-F196 HydrophobicContact CG-CE2 3.97Å; F196-V200 HydrophobicContact CB-CB 3.86Å; F196-V200 HydrophobicContact CB-CG1 3.77Å; F196-V200 HydrophobicContact CD1-CG1 3.95Å; F196-V200 HydrophobicContact CD2-CG1 3.91Å; F196-V200 HydrophobicContact CE1-CG1 4.49Å; F196-V200 HydrophobicContact CE2-CG1 4.42Å; F196-V200 HydrophobicContact CG-CB 4.27Å; F196-V200 HydrophobicContact CG-CG1 3.65Å; F196-E201 HydrophobicContact CB-CG 3.89Å; F196-E201 PolarHBondContact N-OE1 3.11Å; F196-L204 HydrophobicContact CD2-CD1 3.9Å; F196-L204 HydrophobicContact CE2-CD1 4.06Å; F196-F208 HydrophobicContact CD2-CE1 4.24Å
197	S	56.9	Low	50.2	Low	37 Å²	37	67.3 Å²	67.3	26%	0.259	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-63	148.1	164.3	54.1	0	0	0	0	109.8	D162 E199 V200 E201	D162-S197 VanDerWaalsContact OD2-CB 3.26Å; D162-S197 WeakPolarHBondContact OD2-CB 3.48Å; D162-S197 PolarHBondContact OD2-OG 3.32Å; S197-E199 PolarHBondContact O-N 2.8Å; S197-E199 VanDerWaalsContact O-N 3.1Å; S197-V200 PolarHBondContact O-N 3.37Å; S197-V200 WeakPolarHBondContact OG-CG2 3.41Å; S197-E201 PolarHBondContact O-N 3.1Å; S197-E201 VanDerWaalsContact O-N 3.12Å
198	S	61.2	Low	49.9	Very low	88 Å²	88	69.6 Å²	69.6	62%	0.615	36%	0.363	S	S	*	.	H	α-helix	trans	-54.4	-32.8	-178.4	50.8	0	0	0	0	112.9	V200 E201 E202	S198-V200 PolarHBondContact O-N 3.32Å; S198-E201 PolarHBondContact O-N 3.42Å; S198-E202 WeakPolarHBondContact O-CG 3.1Å; S198-E202 PolarHBondContact O-N 3.02Å
199	E	57.9	Low	49.5	Very low	72 Å²	72	73.9 Å²	73.9	34%	0.336	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-38.8	176.5	-165.6	-166.9	137.9	0	0	112.8	L160 S197 K203	L160-E199 HydrophobicContact CD1-CB 4.03Å; L160-E199 HydrophobicContact CD1-CG 4.41Å; L160-E199 WeakPolarHBondContact CD1-OE2 3.08Å; S197-E199 PolarHBondContact O-N 2.8Å; S197-E199 VanDerWaalsContact O-N 3.1Å; E199-K203 PolarHBondContact O-N 3.07Å; E199-K203 IonicContact OE1-NZ 2.76Å; E199-K203 PolarHBondContact OE1-NZ 2.67Å
200	V	55.9	Low	49	Very low	6 Å²	6	77.1 Å²	77.1	4%	0.036	39%	0.39	C	S	.	.	H	α-helix	trans	-70.9	-40.4	176.1	172.1	0	0	0	0	109.7	F158 F196 S197 S198 E202 K203 L204	F158-V200 HydrophobicContact CD1-CB 4.19Å; F158-V200 HydrophobicContact CD1-CG1 3.89Å; F158-V200 HydrophobicContact CD1-CG2 3.98Å; F158-V200 HydrophobicContact CE1-CB 4.46Å; F158-V200 HydrophobicContact CE1-CG1 3.9Å; F196-V200 HydrophobicContact CB-CB 3.86Å; F196-V200 HydrophobicContact CB-CG1 3.77Å; F196-V200 HydrophobicContact CD1-CG1 3.95Å; F196-V200 HydrophobicContact CD2-CG1 3.91Å; F196-V200 HydrophobicContact CE1-CG1 4.49Å; F196-V200 HydrophobicContact CE2-CG1 4.42Å; F196-V200 HydrophobicContact CG-CB 4.27Å; F196-V200 HydrophobicContact CG-CG1 3.65Å; S197-V200 PolarHBondContact O-N 3.37Å; S197-V200 WeakPolarHBondContact OG-CG2 3.41Å; S198-V200 PolarHBondContact O-N 3.32Å; V200-E202 PolarHBondContact O-N 2.95Å; V200-K203 PolarHBondContact O-N 2.65Å; V200-L204 HydrophobicContact CG1-CD1 4.06Å; V200-L204 HydrophobicContact CG1-CG 4.42Å; V200-L204 WeakPolarHBondContact O-CG 3.26Å; V200-L204 PolarHBondContact O-N 3.42Å
201	E	57	Low	48.5	Very low	71 Å²	71	82.4 Å²	82.4	33%	0.332	41%	0.412	S	S	.	.	H	α-helix	trans	-63.4	-39.8	177.9	-58	-163.2	155.6	0	0	112.2	F196 S197 S198 K203 L204 F208	F196-E201 HydrophobicContact CB-CG 3.89Å; F196-E201 PolarHBondContact N-OE1 3.11Å; S197-E201 PolarHBondContact O-N 3.1Å; S197-E201 VanDerWaalsContact O-N 3.12Å; S198-E201 PolarHBondContact O-N 3.42Å; E201-K203 VanDerWaalsContact C-N 3.27Å; E201-K203 PolarHBondContact O-N 2.83Å; E201-L204 PolarHBondContact O-N 2.81Å; E201-F208 HydrophobicContact CB-CE2 4.44Å; E201-F208 HydrophobicContact CB-CZ 3.81Å; E201-F208 HydrophobicContact CG-CE1 4.37Å; E201-F208 HydrophobicContact CG-CZ 3.64Å
202	E	58.9	Low	48.9	Very low	148 Å²	148	80.2 Å²	80.2	69%	0.692	41%	0.405	S	S	*	.	H	α-helix	trans	-62.8	-31.8	174.1	-77.7	177.6	-176.5	0	0	113.1	S198 V200 N205	S198-E202 WeakPolarHBondContact O-CG 3.1Å; S198-E202 PolarHBondContact O-N 3.02Å; V200-E202 PolarHBondContact O-N 2.95Å; E202-N205 PolarHBondContact O-OD1 2.91Å; E202-N205 VanDerWaalsContact O-OD1 3.1Å
203	K	54.5	Low	49.3	Very low	65 Å²	65	77.6 Å²	77.6	28%	0.283	40%	0.395	S	S	.	.	H	α-helix	trans	-81.2	-22.6	177.1	-75.9	171.7	179.1	170.8	0	112.7	I157 F158 E199 V200 E201 N205	I157-K203 PolarHBondContact O-NZ 3.45Å; I157-K203 VanDerWaalsContact O-NZ 3.14Å; F158-K203 HydrophobicContact CD1-CB 4.23Å; F158-K203 HydrophobicContact CD1-CD 3.98Å; F158-K203 HydrophobicContact CE1-CB 3.5Å; F158-K203 VanDerWaalsContact CE1-CB 3.5Å; F158-K203 HydrophobicContact CE1-CD 4.08Å; F158-K203 HydrophobicContact CE1-CG 4.44Å; F158-K203 HydrophobicContact CZ-CB 4.22Å; E199-K203 PolarHBondContact O-N 3.07Å; E199-K203 IonicContact OE1-NZ 2.76Å; E199-K203 PolarHBondContact OE1-NZ 2.67Å; V200-K203 PolarHBondContact O-N 2.65Å; E201-K203 VanDerWaalsContact C-N 3.27Å; E201-K203 PolarHBondContact O-N 2.83Å; K203-N205 PolarHBondContact O-N 3.15Å
204	L	52.8	Low	49.6	Very low	6 Å²	6	73.9 Å²	73.9	3%	0.031	38%	0.379	C	S	.	.			trans	-77.7	60.7	174.7	-69.7	171.9	0	0	0	111.2	F158 V171 F186 K188 F196 V200 E201 G206 G207 F208	F158-L204 HydrophobicContact CZ-CD2 4.2Å; V171-L204 HydrophobicContact CG1-CD2 3.94Å; F186-L204 HydrophobicContact CB-CD2 3.7Å; F186-L204 CarbonylContact O-C 3.59Å; K188-L204 HydrophobicContact CB-CD1 4.29Å; F196-L204 HydrophobicContact CD2-CD1 3.9Å; F196-L204 HydrophobicContact CE2-CD1 4.06Å; V200-L204 HydrophobicContact CG1-CD1 4.06Å; V200-L204 HydrophobicContact CG1-CG 4.42Å; V200-L204 WeakPolarHBondContact O-CG 3.26Å; V200-L204 PolarHBondContact O-N 3.42Å; E201-L204 PolarHBondContact O-N 2.81Å; L204-G206 PolarHBondContact O-N 2.81Å; L204-G207 PolarHBondContact O-N 3.19Å; L204-F208 HydrophobicContact CB-CZ 4.39Å; L204-F208 HydrophobicContact CD1-CD1 4.25Å; L204-F208 HydrophobicContact CD1-CE1 3.4Å; L204-F208 HydrophobicContact CD1-CZ 3.87Å
205	N	50	Low	49.8	Very low	121 Å²	121	68.1 Å²	68.1	65%	0.647	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.3	-177.9	-73	-30.5	0	0	0	114.7	E202 K203	E202-N205 PolarHBondContact O-OD1 2.91Å; E202-N205 VanDerWaalsContact O-OD1 3.1Å; K203-N205 PolarHBondContact O-N 3.15Å
206	G	48.9	Very low	49.5	Very low	20 Å²	20	66 Å²	66	21%	0.206	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.1	177.9	0	0	0	0	0	114.6	F186 L204	F186-G206 WeakPolarHBondContact O-CA 3.49Å; F186-G206 PolarHBondContact O-N 2.97Å; L204-G206 PolarHBondContact O-N 2.81Å
207	G	39.4	Very low	49.2	Very low	27 Å²	27	68.3 Å²	68.3	28%	0.278	35%	0.348	S	S	.	.			trans	79.2	-170.4	-177.4	0	0	0	0	0	114	L204	L204-G207 PolarHBondContact O-N 3.19Å
208	F	39.5	Very low	48.6	Very low	58 Å²	58	70.6 Å²	70.6	25%	0.254	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.2	-172.5	-58	-85.4	0	0	0	110.2	K188 F196 E201 L204 Y210	K188-F208 HydrophobicContact CB-CD1 3.9Å; K188-F208 HydrophobicContact CB-CE1 4.47Å; K188-F208 HydrophobicContact CD-CD1 3.66Å; K188-F208 HydrophobicContact CD-CE1 4.13Å; K188-F208 HydrophobicContact CG-CD1 4.43Å; F196-F208 HydrophobicContact CD2-CE1 4.24Å; E201-F208 HydrophobicContact CB-CE2 4.44Å; E201-F208 HydrophobicContact CB-CZ 3.81Å; E201-F208 HydrophobicContact CG-CE1 4.37Å; E201-F208 HydrophobicContact CG-CZ 3.64Å; L204-F208 HydrophobicContact CB-CZ 4.39Å; L204-F208 HydrophobicContact CD1-CD1 4.25Å; L204-F208 HydrophobicContact CD1-CE1 3.4Å; L204-F208 HydrophobicContact CD1-CZ 3.87Å; F208-Y210 HydrophobicContact CB-CE1 4.01Å; F208-Y210 HydrophobicContact CB-CE2 3.75Å; F208-Y210 VanDerWaalsContact CB-CZ 3.48Å; F208-Y210 WeakPolarHBondContact CB-OH 3.23Å; F208-Y210 WeakPolarHBondContact CG-OH 3.43Å
209	Y	39.1	Very low	47.7	Very low	94 Å²	94	69.2 Å²	69.2	37%	0.369	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.7	170.2	-62.4	-99	0	0	0	108.7	V187 K188 G190	V187-Y209 HydrophobicContact CG1-CD2 3.34Å; V187-Y209 HydrophobicContact CG1-CE2 3.64Å; K188-Y209 PolarHBondContact O-N 3.14Å; K188-Y209 VanDerWaalsContact O-N 3.07Å; G190-Y209 PolarHBondContact N-O 2.7Å
210	Y	32.4	Very low	46.8	Very low	96 Å²	96	69 Å²	69	38%	0.376	33%	0.334	S	S	.	.			trans	-97.6	139.2	178.5	-51.3	-67.9	0	0	0	109	Q192 F208	Q192-Y210 HydrophobicContact CB-CD1 3.42Å; Q192-Y210 VanDerWaalsContact CB-CD1 3.42Å; Q192-Y210 HydrophobicContact CB-CE1 3.61Å; Q192-Y210 HydrophobicContact CB-CG 4.01Å; Q192-Y210 HydrophobicContact CG-CD1 3.83Å; Q192-Y210 HydrophobicContact CG-CE1 3.44Å; Q192-Y210 VanDerWaalsContact CG-CE1 3.44Å; Q192-Y210 PolarHBondContact NE2-OH 3.16Å; F208-Y210 HydrophobicContact CB-CE1 4.01Å; F208-Y210 HydrophobicContact CB-CE2 3.75Å; F208-Y210 VanDerWaalsContact CB-CZ 3.48Å; F208-Y210 WeakPolarHBondContact CB-OH 3.23Å; F208-Y210 WeakPolarHBondContact CG-OH 3.43Å
211	F	33.2	Very low	46	Very low	116 Å²	116	74.7 Å²	74.7	51%	0.509	36%	0.362	S	S	.	.			trans	-97.2	0	172.3	-63.4	-108.6	0	0	0	109.6	I119 E123 L189	I119-F211 HydrophobicContact CB-CE1 4.42Å; I119-F211 HydrophobicContact CG2-CD1 3.71Å; I119-F211 HydrophobicContact CG2-CE1 3Å; I119-F211 HydrophobicContact CG2-CZ 3.54Å; E123-F211 HydrophobicContact CG-CD1 4.19Å; E123-F211 HydrophobicContact CG-CE1 3.64Å; E123-F211 WeakPolarHBondContact OE1-CD1 3.45Å; E123-F211 WeakPolarHBondContact OE1-CE1 3.09Å; L189-F211 HydrophobicContact CB-CE2 3.86Å; L189-F211 HydrophobicContact CB-CZ 4.42Å; L189-F211 HydrophobicContact CD2-CE2 4.09Å; L189-F211 HydrophobicContact CD2-CZ 4.38Å; L189-F211 HydrophobicContact CG-CE2 4.44Å

Retrieved 211 of 211 residues in 114.9 ms (Link to these results)

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