A0A077ZB05_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZB05, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 170 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	42.5	Very low	46.1	Very low	237 Å²	237	127.5 Å²	127.5	100%	1.167	82%	0.823	S	S	*	*				0	134.3	0	-80.9	-179.8	159.6	0	0	108.3
2	T	46.1	Very low	45.6	Very low	139 Å²	139	129.5 Å²	129.5	85%	0.853	82%	0.82	S	S	*	*			trans	60.9	96	161.8	47.5	0	0	0	0	120.3
3	S	47.6	Very low	45.5	Very low	112 Å²	112	134.7 Å²	134.7	78%	0.783	82%	0.823	S	S	*	*			trans	-64	-173.4	137.5	-44.4	0	0	0	0	110.3
4	P	51.2	Low	45.3	Very low	113 Å²	113	139.7 Å²	139.7	73%	0.734	83%	0.833	S	S	*	*			cis	-145.4	-163.6	2.9	34.2	-8.5	0	0	0	115.1
5	S	47.5	Very low	44.7	Very low	122 Å²	122	141.5 Å²	141.5	85%	0.853	83%	0.829	S	S	*	*			trans	86.4	132.3	158.7	-53.7	0	0	0	0	116.6
6	G	46.3	Very low	44.1	Very low	68 Å²	68	140.3 Å²	140.3	70%	0.701	81%	0.813	S	S	*	*			cis	165.4	178.6	8.8	0	0	0	0	0	108.6
7	V	48.8	Very low	43.6	Very low	144 Å²	144	137.8 Å²	137.8	87%	0.873	81%	0.812	S	S	*	*			trans	86.9	91.7	174.8	-165.5	0	0	0	0	113.8
8	S	46	Very low	43.1	Very low	99 Å²	99	139.3 Å²	139.3	69%	0.692	80%	0.802	S	S	*	*				61.3	105.3	66.6	-164.9	0	0	0	0	114.5
9	T	45.8	Very low	42.7	Very low	136 Å²	136	138.5 Å²	138.5	83%	0.834	80%	0.8	S	S	*	*				-178.5	121.9	120.4	33.4	0	0	0	0	110
10	S	43.7	Very low	42.5	Very low	99 Å²	99	139.1 Å²	139.1	69%	0.692	79%	0.789	S	S	*	*			trans	-69.3	142.2	176.7	-8.4	0	0	0	0	112.2	L12	S10-L12 PolarHBondContact O-N 2.82Å
11	P	42.1	Very low	42.2	Very low	134 Å²	134	137.2 Å²	137.2	87%	0.87	79%	0.785	S	S	*	*			trans	-88.2	82.5	161.9	30.4	-21.5	0	0	0	109.7	K13	P11-K13 PolarHBondContact O-N 3.24Å
12	L	40	Very low	42.3	Very low	151 Å²	151	128.5 Å²	128.5	79%	0.791	75%	0.747	S	S	*	*			trans	-70	111.5	154.5	-106.6	117.7	0	0	0	107.2	S10	S10-L12 PolarHBondContact O-N 2.82Å
13	K	44.5	Very low	42.7	Very low	197 Å²	197	125 Å²	125	86%	0.857	73%	0.725	S	S	*	*			trans	143.4	66	153.6	-79.1	171	-178.7	-176.9	0	111.8	P11 Q15	P11-K13 PolarHBondContact O-N 3.24Å; K13-Q15 PolarHBondContact O-N 3.33Å
14	E	41.9	Very low	42.7	Very low	205 Å²	205	120.7 Å²	120.7	96%	0.958	70%	0.699	S	S	*	*			trans	-96.5	44.1	163.8	-140.4	171.7	-157.8	0	0	109.9
15	Q	35.9	Very low	42.7	Very low	166 Å²	166	120.8 Å²	120.8	78%	0.776	69%	0.689	S	S	*	*			trans	-111	94.6	-179.3	-155.8	171	13.5	0	0	110	K13	K13-Q15 PolarHBondContact O-N 3.33Å
16	E	35.1	Very low	43.1	Very low	123 Å²	123	119.8 Å²	119.8	58%	0.575	67%	0.671	S	S	*	*			trans	59.9	67.5	146.1	-59.3	-172.2	124.9	0	0	117.9	R18	E16-R18 PolarHBondContact O-N 3.18Å; E16-R18 IonicContact OE1-CZ 3.23Å; E16-R18 IonicContact OE1-NE 3.37Å; E16-R18 PolarHBondContact OE1-NE 3.45Å; E16-R18 IonicContact OE1-NH2 3.24Å; E16-R18 PolarHBondContact OE1-NH2 2.78Å
17	A	35.7	Very low	43.4	Very low	97 Å²	97	118.7 Å²	118.7	80%	0.802	65%	0.649	S	S	*	*			trans	-74.1	71.6	145.3	0	0	0	0	0	108.9	T19	A17-T19 PolarHBondContact O-N 3.16Å
18	R	36	Very low	43.6	Very low	166 Å²	166	112.4 Å²	112.4	63%	0.626	61%	0.61	S	S	*	*			trans	-69.9	91.7	163.6	-76.9	-174.5	-165.4	-173.3	7.3	107.2	E16 Y20	E16-R18 PolarHBondContact O-N 3.18Å; E16-R18 IonicContact OE1-CZ 3.23Å; E16-R18 IonicContact OE1-NE 3.37Å; E16-R18 PolarHBondContact OE1-NE 3.45Å; E16-R18 IonicContact OE1-NH2 3.24Å; E16-R18 PolarHBondContact OE1-NH2 2.78Å; R18-Y20 VanDerWaalsContact C-N 3.29Å; R18-Y20 HydrophobicContact CB-CD2 4.24Å; R18-Y20 HydrophobicContact CB-CE2 4.03Å; R18-Y20 WeakPolarHBondContact O-CD2 3.37Å; R18-Y20 PolarHBondContact O-N 3.24Å
19	T	35.1	Very low	44.2	Very low	124 Å²	124	110.5 Å²	110.5	76%	0.761	60%	0.601	S	S	*	*			trans	-63	92.6	170.5	-46	0	0	0	0	108	A17 S21	A17-T19 PolarHBondContact O-N 3.16Å; T19-S21 PolarHBondContact O-N 3.4Å
20	Y	37.5	Very low	44.6	Very low	150 Å²	150	109.3 Å²	109.3	59%	0.588	58%	0.584	S	S	*	*			trans	-68.9	97.1	171.2	-84.9	-88.1	0	0	0	108.3	R18 C22	R18-Y20 VanDerWaalsContact C-N 3.29Å; R18-Y20 HydrophobicContact CB-CD2 4.24Å; R18-Y20 HydrophobicContact CB-CE2 4.03Å; R18-Y20 WeakPolarHBondContact O-CD2 3.37Å; R18-Y20 PolarHBondContact O-N 3.24Å; Y20-C22 VanDerWaalsContact C-N 3.27Å; Y20-C22 PolarHBondContact O-N 2.9Å
21	S	37.1	Very low	44.9	Very low	100 Å²	100	106.5 Å²	106.5	70%	0.699	56%	0.56	S	S	*	*			trans	-70	86	164.1	154.6	0	0	0	0	107.7	T19 T23	T19-S21 PolarHBondContact O-N 3.4Å; S21-T23 PolarHBondContact O-N 2.95Å
22	C	45.4	Very low	45.5	Very low	54 Å²	54	101.3 Å²	101.3	37%	0.365	53%	0.529	S	S	.	.			trans	-75.5	121.8	166.5	-76.8	0	0	0	0	109	Y20 E26 I27	Y20-C22 VanDerWaalsContact C-N 3.27Å; Y20-C22 PolarHBondContact O-N 2.9Å; C22-E26 WeakPolarHBondContact CA-OE2 3.44Å; C22-I27 HydrophobicContact CB-CG1 4.35Å
23	T	53.9	Low	46.4	Very low	65 Å²	65	100.7 Å²	100.7	40%	0.399	52%	0.522	S	S	.	.			trans	-66.6	154.8	171.8	66.7	0	0	0	0	109.4	S21 E25 E26 I27	S21-T23 PolarHBondContact O-N 2.95Å; T23-E25 PolarHBondContact O-N 3.48Å; T23-E25 VanDerWaalsContact O-N 3.15Å; T23-E26 PolarHBondContact N-OE2 3.42Å; T23-E26 PolarHBondContact O-N 2.9Å; T23-E26 WeakPolarHBondContact OG1-CG 3.19Å; T23-E26 PolarHBondContact OG1-N 3.48Å; T23-E26 PolarHBondContact OG1-OE2 2.97Å; T23-I27 PolarHBondContact O-N 3.43Å
24	G	48.3	Very low	46.8	Very low	22 Å²	22	95.4 Å²	95.4	23%	0.227	50%	0.503	C	S	.	.	H	α-helix	trans	-54.2	-32.6	175	0	0	0	0	0	114.9	I27 L28 F50	G24-I27 PolarHBondContact O-N 2.82Å; G24-L28 PolarHBondContact O-N 3.28Å; G24-L28 VanDerWaalsContact O-N 3.09Å; G24-F50 VanDerWaalsContact C-CE1 3.46Å; G24-F50 VanDerWaalsContact C-CZ 3.4Å; G24-F50 WeakPolarHBondContact O-CZ 3.26Å
25	E	51.1	Low	47.2	Very low	114 Å²	114	86.7 Å²	86.7	53%	0.533	46%	0.462	S	S	.	.	H	α-helix	trans	-70.2	-36	177.8	-59.8	-169.2	141.9	0	0	112.4	T23 L28 A29	T23-E25 PolarHBondContact O-N 3.48Å; T23-E25 VanDerWaalsContact O-N 3.15Å; E25-L28 WeakPolarHBondContact O-CB 3.37Å; E25-L28 PolarHBondContact O-N 2.77Å; E25-A29 WeakPolarHBondContact O-CB 3.06Å; E25-A29 PolarHBondContact O-N 3.25Å
26	E	55.5	Low	47.8	Very low	101 Å²	101	80.6 Å²	80.6	47%	0.472	44%	0.444	S	S	.	.	H	α-helix	trans	-67	-37.6	175.6	-72.3	166.4	159.7	0	0	111.9	C22 T23 A29 K30	C22-E26 WeakPolarHBondContact CA-OE2 3.44Å; T23-E26 PolarHBondContact N-OE2 3.42Å; T23-E26 PolarHBondContact O-N 2.9Å; T23-E26 WeakPolarHBondContact OG1-CG 3.19Å; T23-E26 PolarHBondContact OG1-N 3.48Å; T23-E26 PolarHBondContact OG1-OE2 2.97Å; E26-A29 PolarHBondContact O-N 3.31Å; E26-K30 PolarHBondContact O-N 2.82Å
27	I	51.7	Low	48.6	Very low	46 Å²	46	79 Å²	79	24%	0.236	45%	0.452	C	S	.	.	H	α-helix	trans	-63.9	-46.1	173.5	-63.1	172.5	0	0	0	109.9	C22 T23 G24 A29 K30 I31 M60	C22-I27 HydrophobicContact CB-CG1 4.35Å; T23-I27 PolarHBondContact O-N 3.43Å; G24-I27 PolarHBondContact O-N 2.82Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.42Å; I27-K30 PolarHBondContact O-N 3.41Å; I27-I31 HydrophobicContact CG2-CD1 3.75Å; I27-I31 HydrophobicContact CG2-CG1 4.49Å; I27-I31 VanDerWaalsContact O-CG1 3.28Å; I27-I31 WeakPolarHBondContact O-CG1 3.22Å; I27-I31 PolarHBondContact O-N 3.39Å; I27-M60 HydrophobicContact CD1-CE 3.62Å; I27-M60 HydrophobicContact CG1-CE 4.05Å
28	L	53.3	Low	49.1	Very low	11 Å²	11	79.7 Å²	79.7	6%	0.058	44%	0.438	C	S	.	.	H	α-helix	trans	-61.4	-40.1	175.5	-80.7	176.8	0	0	0	112.5	G24 E25 I31 A32 L46 K47 F50 Y51	G24-L28 PolarHBondContact O-N 3.28Å; G24-L28 VanDerWaalsContact O-N 3.09Å; E25-L28 WeakPolarHBondContact O-CB 3.37Å; E25-L28 PolarHBondContact O-N 2.77Å; L28-I31 PolarHBondContact O-N 2.94Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.5Å; L28-L46 HydrophobicContact CD2-CD2 3.91Å; L28-L46 HydrophobicContact CD2-CG 3.8Å; L28-K47 HydrophobicContact CD2-CG 4.5Å; L28-F50 HydrophobicContact CD1-CB 3.69Å; L28-F50 HydrophobicContact CD1-CD1 3.45Å; L28-F50 VanDerWaalsContact CD1-CD1 3.45Å; L28-F50 HydrophobicContact CD1-CD2 4.17Å; L28-F50 HydrophobicContact CD1-CE1 4.31Å; L28-F50 HydrophobicContact CD1-CG 3.44Å; L28-F50 VanDerWaalsContact CD1-CG 3.44Å; L28-F50 HydrophobicContact CD2-CB 3.82Å; L28-F50 HydrophobicContact CD2-CD2 4.05Å; L28-F50 HydrophobicContact CD2-CG 3.91Å; L28-F50 HydrophobicContact CG-CB 4Å; L28-F50 HydrophobicContact CG-CD1 4Å; L28-F50 HydrophobicContact CG-CD2 3.81Å; L28-F50 HydrophobicContact CG-CE2 4.48Å; L28-F50 HydrophobicContact CG-CG 3.6Å; L28-Y51 HydrophobicContact CD1-CE2 4.43Å
29	A	58.6	Low	49.6	Very low	60 Å²	60	76.3 Å²	76.3	50%	0.496	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-43.4	177.2	0	0	0	0	0	111.1	E25 E26 I27 A32 E33	E25-A29 WeakPolarHBondContact O-CB 3.06Å; E25-A29 PolarHBondContact O-N 3.25Å; E26-A29 PolarHBondContact O-N 3.31Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.42Å; A29-A32 WeakPolarHBondContact O-CB 3.26Å; A29-A32 PolarHBondContact O-N 3.43Å; A29-E33 PolarHBondContact O-N 3Å
30	K	55.1	Low	50.3	Low	111 Å²	111	74.4 Å²	74.4	48%	0.483	42%	0.416	S	S	.	.	H	α-helix	trans	-66.6	-40.3	177.6	-159.9	73.2	-163.7	160.4	0	112.5	E26 I27 A32 E33 I34	E26-K30 PolarHBondContact O-N 2.82Å; I27-K30 PolarHBondContact O-N 3.41Å; K30-A32 VanDerWaalsContact C-N 3.29Å; K30-A32 PolarHBondContact O-N 2.98Å; K30-E33 WeakPolarHBondContact CD-OE2 3.38Å; K30-E33 WeakPolarHBondContact CE-OE2 3.45Å; K30-E33 VanDerWaalsContact NZ-CD 3.34Å; K30-E33 IonicContact NZ-OE1 3.42Å; K30-E33 PolarHBondContact NZ-OE1 2.92Å; K30-E33 IonicContact NZ-OE2 2.72Å; K30-E33 PolarHBondContact NZ-OE2 3.33Å; K30-E33 WeakPolarHBondContact O-CB 3.31Å; K30-E33 PolarHBondContact O-N 2.88Å; K30-I34 WeakPolarHBondContact O-CD1 3.43Å; K30-I34 VanDerWaalsContact O-CG1 3.31Å; K30-I34 WeakPolarHBondContact O-CG1 3.33Å; K30-I34 PolarHBondContact O-N 3.43Å
31	I	49.4	Very low	50.8	Low	39 Å²	39	70.2 Å²	70.2	20%	0.2	41%	0.408	C	S	.	.	H	α-helix	trans	-68.5	-33.5	174.9	-61.8	165.8	0	0	0	110.7	I27 L28 I34 L35 L46	I27-I31 HydrophobicContact CG2-CD1 3.75Å; I27-I31 HydrophobicContact CG2-CG1 4.49Å; I27-I31 VanDerWaalsContact O-CG1 3.28Å; I27-I31 WeakPolarHBondContact O-CG1 3.22Å; I27-I31 PolarHBondContact O-N 3.39Å; L28-I31 PolarHBondContact O-N 2.94Å; I31-I34 PolarHBondContact O-N 2.89Å; I31-L35 HydrophobicContact CG2-CD1 3.4Å; I31-L35 VanDerWaalsContact CG2-CD1 3.4Å; I31-L35 HydrophobicContact CG2-CG 3.94Å; I31-L35 VanDerWaalsContact O-CB 3.32Å; I31-L35 WeakPolarHBondContact O-CB 3.42Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 3.31Å; I31-L46 HydrophobicContact CB-CD2 3.82Å; I31-L46 HydrophobicContact CD1-CD2 3.89Å; I31-L46 HydrophobicContact CG1-CD2 4.45Å; I31-L46 HydrophobicContact CG2-CD2 3.23Å
32	A	55	Low	51.4	Low	26 Å²	26	71.1 Å²	71.1	22%	0.215	40%	0.398	C	S	.	.	H	α-helix	trans	-66.9	-37	174.2	0	0	0	0	0	113.2	L28 A29 K30 I34 G36 L43	L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.5Å; A29-A32 WeakPolarHBondContact O-CB 3.26Å; A29-A32 PolarHBondContact O-N 3.43Å; K30-A32 VanDerWaalsContact C-N 3.29Å; K30-A32 PolarHBondContact O-N 2.98Å; A32-I34 VanDerWaalsContact C-N 3.3Å; A32-I34 PolarHBondContact O-N 3.37Å; A32-G36 WeakPolarHBondContact O-CA 3.33Å; A32-G36 PolarHBondContact O-N 3.27Å; A32-L43 HydrophobicContact CB-CD1 3.51Å; A32-L43 HydrophobicContact CB-CD2 4.4Å
33	E	59.2	Low	51.7	Low	137 Å²	137	70 Å²	70	64%	0.64	39%	0.388	S	S	*	.	H	α-helix	trans	-62.2	-39.8	172.7	-168.6	-172.5	158.2	0	0	111.2	A29 K30	A29-E33 PolarHBondContact O-N 3Å; K30-E33 WeakPolarHBondContact CD-OE2 3.38Å; K30-E33 WeakPolarHBondContact CE-OE2 3.45Å; K30-E33 VanDerWaalsContact NZ-CD 3.34Å; K30-E33 IonicContact NZ-OE1 3.42Å; K30-E33 PolarHBondContact NZ-OE1 2.92Å; K30-E33 IonicContact NZ-OE2 2.72Å; K30-E33 PolarHBondContact NZ-OE2 3.33Å; K30-E33 WeakPolarHBondContact O-CB 3.31Å; K30-E33 PolarHBondContact O-N 2.88Å
34	I	52.7	Low	51.9	Low	87 Å²	87	75.3 Å²	75.3	45%	0.446	40%	0.4	S	S	.	.	H	α-helix	trans	-75.7	-40.1	-179.4	-63.6	165.1	0	0	0	112.1	K30 I31 A32	K30-I34 WeakPolarHBondContact O-CD1 3.43Å; K30-I34 VanDerWaalsContact O-CG1 3.31Å; K30-I34 WeakPolarHBondContact O-CG1 3.33Å; K30-I34 PolarHBondContact O-N 3.43Å; I31-I34 PolarHBondContact O-N 2.89Å; A32-I34 VanDerWaalsContact C-N 3.3Å; A32-I34 PolarHBondContact O-N 3.37Å
35	L	50.8	Low	52.2	Low	21 Å²	21	79.6 Å²	79.6	11%	0.11	42%	0.418	C	S	.	.	H	α-helix	trans	-99.5	-23.7	-172.1	-64.1	-179.2	0	0	0	114.5	I31 A37 H38 Y39	I31-L35 HydrophobicContact CG2-CD1 3.4Å; I31-L35 VanDerWaalsContact CG2-CD1 3.4Å; I31-L35 HydrophobicContact CG2-CG 3.94Å; I31-L35 VanDerWaalsContact O-CB 3.32Å; I31-L35 WeakPolarHBondContact O-CB 3.42Å; I31-L35 WeakPolarHBondContact O-CG 3.45Å; I31-L35 PolarHBondContact O-N 3.31Å; L35-A37 VanDerWaalsContact C-N 3.27Å; L35-A37 PolarHBondContact O-N 3.25Å; L35-A37 VanDerWaalsContact O-N 3.14Å; L35-H38 PolarHBondContact O-N 2.68Å; L35-Y39 PolarHBondContact O-N 2.84Å; L35-Y39 VanDerWaalsContact O-N 3.08Å
36	G	48.4	Very low	52.2	Low	39 Å²	39	75.1 Å²	75.1	40%	0.402	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.5	-161.1	0	0	0	0	0	115.5	A32	A32-G36 WeakPolarHBondContact O-CA 3.33Å; A32-G36 PolarHBondContact O-N 3.27Å
37	A	51.9	Low	52.3	Low	88 Å²	88	75 Å²	75	73%	0.727	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-28.7	178.8	0	0	0	0	0	113.6	L35	L35-A37 VanDerWaalsContact C-N 3.27Å; L35-A37 PolarHBondContact O-N 3.25Å; L35-A37 VanDerWaalsContact O-N 3.14Å
38	H	46.3	Very low	52.5	Low	113 Å²	113	80.2 Å²	80.2	52%	0.523	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-17.1	-168.5	-65.3	-69.3	0	0	0	114	L35	L35-H38 PolarHBondContact O-N 2.68Å
39	Y	46.2	Very low	52.5	Low	94 Å²	94	83.4 Å²	83.4	37%	0.369	42%	0.423	S	S	.	.			trans	-143.4	59.6	-164.7	-66	-63.3	0	0	0	114.3	L35 S41 Y42 L43	L35-Y39 PolarHBondContact O-N 2.84Å; L35-Y39 VanDerWaalsContact O-N 3.08Å; Y39-S41 VanDerWaalsContact C-N 3.25Å; Y39-S41 PolarHBondContact O-N 3.17Å; Y39-Y42 AromaticContact CD1-CD2 3.64Å; Y39-Y42 HydrophobicContact CD1-CD2 3.64Å; Y39-Y42 AromaticContact CD1-CE2 3.6Å; Y39-Y42 HydrophobicContact CD1-CE2 3.6Å; Y39-Y42 HydrophobicContact CE1-CE2 4.32Å; Y39-Y42 AromaticContact CG-CD2 3.92Å; Y39-Y42 HydrophobicContact CG-CD2 3.92Å; Y39-Y42 HydrophobicContact CG-CE2 4.32Å; Y39-Y42 PolarHBondContact O-N 3.22Å; Y39-Y42 VanDerWaalsContact O-N 3.11Å; Y39-L43 PolarHBondContact O-N 3.42Å; Y39-L43 VanDerWaalsContact O-N 3.15Å
40	P	48.6	Very low	52.1	Low	85 Å²	85	82.7 Å²	82.7	55%	0.552	41%	0.409	S	S	*	.	H	α-helix	trans	-63	-27	-177	25.1	-34.5	0	0	0	114	R44	P40-R44 PolarHBondContact O-N 3.38Å
41	S	49.1	Very low	52.1	Low	61 Å²	61	83 Å²	83	43%	0.427	41%	0.408	S	S	.	.	H	α-helix	trans	-68.2	-39.9	174.3	49.4	0	0	0	0	112.3	Y39 R44 L45	Y39-S41 VanDerWaalsContact C-N 3.25Å; Y39-S41 PolarHBondContact O-N 3.17Å; S41-R44 WeakPolarHBondContact O-CB 3.15Å; S41-R44 PolarHBondContact O-N 2.87Å; S41-L45 PolarHBondContact O-N 3.44Å
42	Y	49.5	Very low	52.2	Low	120 Å²	120	90.3 Å²	90.3	47%	0.471	43%	0.433	S	S	.	.	H	α-helix	trans	-72.7	-37.6	179.7	-65.3	-86.7	0	0	0	111.8	Y39 R44 L45 L46	Y39-Y42 AromaticContact CD1-CD2 3.64Å; Y39-Y42 HydrophobicContact CD1-CD2 3.64Å; Y39-Y42 AromaticContact CD1-CE2 3.6Å; Y39-Y42 HydrophobicContact CD1-CE2 3.6Å; Y39-Y42 HydrophobicContact CE1-CE2 4.32Å; Y39-Y42 AromaticContact CG-CD2 3.92Å; Y39-Y42 HydrophobicContact CG-CD2 3.92Å; Y39-Y42 HydrophobicContact CG-CE2 4.32Å; Y39-Y42 PolarHBondContact O-N 3.22Å; Y39-Y42 VanDerWaalsContact O-N 3.11Å; Y42-R44 PolarHBondContact O-N 3.19Å; Y42-L45 PolarHBondContact O-N 2.85Å; Y42-L46 WeakPolarHBondContact O-CB 3.39Å; Y42-L46 PolarHBondContact O-N 2.94Å
43	L	52.1	Low	51.7	Low	30 Å²	30	96.9 Å²	96.9	16%	0.157	45%	0.452	C	S	.	.	H	α-helix	trans	-57.1	-39.1	172	-160.1	88.8	0	0	0	112	A32 Y39 L46 K47	A32-L43 HydrophobicContact CB-CD1 3.51Å; A32-L43 HydrophobicContact CB-CD2 4.4Å; Y39-L43 PolarHBondContact O-N 3.42Å; Y39-L43 VanDerWaalsContact O-N 3.15Å; L43-L46 PolarHBondContact O-N 2.9Å; L43-K47 HydrophobicContact CD2-CD 4.43Å; L43-K47 WeakPolarHBondContact O-CB 3.36Å; L43-K47 WeakPolarHBondContact O-CG 3.37Å; L43-K47 PolarHBondContact O-N 2.83Å
44	R	57.7	Low	50.8	Low	177 Å²	177	95.8 Å²	95.8	67%	0.668	45%	0.447	S	S	*	.	H	α-helix	trans	-66.2	-42.2	178.8	-163.2	-173.8	-50.6	161.3	5.8	112	P40 S41 Y42 R48	P40-R44 PolarHBondContact O-N 3.38Å; S41-R44 WeakPolarHBondContact O-CB 3.15Å; S41-R44 PolarHBondContact O-N 2.87Å; Y42-R44 PolarHBondContact O-N 3.19Å; R44-R48 WeakPolarHBondContact O-CB 3.43Å; R44-R48 PolarHBondContact O-N 3.36Å
45	L	53.9	Low	50.1	Low	112 Å²	112	103.2 Å²	103.2	59%	0.586	47%	0.469	S	S	*	.	H	α-helix	trans	-64.8	-43.1	175.9	-70.3	172.9	0	0	0	111.2	S41 Y42 R48 W49	S41-L45 PolarHBondContact O-N 3.44Å; Y42-L45 PolarHBondContact O-N 2.85Å; L45-R48 PolarHBondContact O-N 2.79Å; L45-W49 WeakPolarHBondContact O-CB 3.46Å; L45-W49 PolarHBondContact O-N 2.95Å
46	L	51.6	Low	49.5	Very low	19 Å²	19	110.9 Å²	110.9	10%	0.099	50%	0.502	C	S	.	.	H	α-helix	trans	-63.5	-48.4	178.3	-170.6	69.6	0	0	0	112.3	L28 I31 Y42 L43 R48 W49 F50 L87	L28-L46 HydrophobicContact CD2-CD2 3.91Å; L28-L46 HydrophobicContact CD2-CG 3.8Å; I31-L46 HydrophobicContact CB-CD2 3.82Å; I31-L46 HydrophobicContact CD1-CD2 3.89Å; I31-L46 HydrophobicContact CG1-CD2 4.45Å; I31-L46 HydrophobicContact CG2-CD2 3.23Å; Y42-L46 WeakPolarHBondContact O-CB 3.39Å; Y42-L46 PolarHBondContact O-N 2.94Å; L43-L46 PolarHBondContact O-N 2.9Å; L46-R48 PolarHBondContact O-N 3.36Å; L46-W49 PolarHBondContact O-N 3.47Å; L46-F50 WeakPolarHBondContact O-CB 3.46Å; L46-F50 PolarHBondContact O-N 3.37Å; L46-L87 HydrophobicContact CD1-CD2 3.4Å; L46-L87 VanDerWaalsContact CD1-CD2 3.4Å
47	K	56.5	Low	49	Very low	98 Å²	98	115.2 Å²	115.2	43%	0.426	52%	0.523	S	S	.	.	H	α-helix	trans	-56.5	-48.8	174.3	-76.9	-179.1	175.5	-173.4	0	111	L28 L43 W49 F50 Y51	L28-K47 HydrophobicContact CD2-CG 4.5Å; L43-K47 HydrophobicContact CD2-CD 4.43Å; L43-K47 WeakPolarHBondContact O-CB 3.36Å; L43-K47 WeakPolarHBondContact O-CG 3.37Å; L43-K47 PolarHBondContact O-N 2.83Å; K47-W49 VanDerWaalsContact C-N 3.26Å; K47-W49 PolarHBondContact O-N 2.87Å; K47-F50 PolarHBondContact O-N 3.01Å; K47-Y51 HydrophobicContact CB-CD2 4.36Å; K47-Y51 HydrophobicContact CB-CE2 4.38Å; K47-Y51 WeakPolarHBondContact O-CD2 3.39Å; K47-Y51 PolarHBondContact O-N 2.92Å
48	R	57.7	Low	48.5	Very low	156 Å²	156	116.3 Å²	116.3	59%	0.589	52%	0.521	S	S	*	.	H	α-helix	trans	-59.7	-37.3	179.9	-172	178.1	-175.1	-175.8	2.6	112.5	R44 L45 L46 R52	R44-R48 WeakPolarHBondContact O-CB 3.43Å; R44-R48 PolarHBondContact O-N 3.36Å; L45-R48 PolarHBondContact O-N 2.79Å; L46-R48 PolarHBondContact O-N 3.36Å; R48-R52 VanDerWaalsContact O-CB 3.31Å; R48-R52 WeakPolarHBondContact O-CB 3.44Å; R48-R52 WeakPolarHBondContact O-CG 3.26Å; R48-R52 PolarHBondContact O-N 3.02Å
49	W	52.8	Low	48.3	Very low	78 Å²	78	117 Å²	117	30%	0.295	53%	0.533	S	S	.	.	H	α-helix	trans	-73.8	-43.2	177.7	-175.9	91.6	0	0	0	112	L45 L46 K47 R52 R53	L45-W49 WeakPolarHBondContact O-CB 3.46Å; L45-W49 PolarHBondContact O-N 2.95Å; L46-W49 PolarHBondContact O-N 3.47Å; K47-W49 VanDerWaalsContact C-N 3.26Å; K47-W49 PolarHBondContact O-N 2.87Å; W49-R52 PolarHBondContact O-N 3.43Å; W49-R52 VanDerWaalsContact O-N 3.14Å; W49-R53 PolarHBondContact O-N 3.18Å
50	F	50.5	Low	48.1	Very low	46 Å²	46	115.8 Å²	115.8	20%	0.202	53%	0.531	C	S	.	.	H	α-helix	trans	-60	-50.5	179.2	-161	-81.1	0	0	0	111.8	G24 L28 L46 K47 R52 R53 E54	G24-F50 VanDerWaalsContact C-CE1 3.46Å; G24-F50 VanDerWaalsContact C-CZ 3.4Å; G24-F50 WeakPolarHBondContact O-CZ 3.26Å; L28-F50 HydrophobicContact CD1-CB 3.69Å; L28-F50 HydrophobicContact CD1-CD1 3.45Å; L28-F50 VanDerWaalsContact CD1-CD1 3.45Å; L28-F50 HydrophobicContact CD1-CD2 4.17Å; L28-F50 HydrophobicContact CD1-CE1 4.31Å; L28-F50 HydrophobicContact CD1-CG 3.44Å; L28-F50 VanDerWaalsContact CD1-CG 3.44Å; L28-F50 HydrophobicContact CD2-CB 3.82Å; L28-F50 HydrophobicContact CD2-CD2 4.05Å; L28-F50 HydrophobicContact CD2-CG 3.91Å; L28-F50 HydrophobicContact CG-CB 4Å; L28-F50 HydrophobicContact CG-CD1 4Å; L28-F50 HydrophobicContact CG-CD2 3.81Å; L28-F50 HydrophobicContact CG-CE2 4.48Å; L28-F50 HydrophobicContact CG-CG 3.6Å; L46-F50 WeakPolarHBondContact O-CB 3.46Å; L46-F50 PolarHBondContact O-N 3.37Å; K47-F50 PolarHBondContact O-N 3.01Å; F50-R52 VanDerWaalsContact C-N 3.28Å; F50-R52 PolarHBondContact O-N 3.09Å; F50-R53 PolarHBondContact O-N 3.28Å; F50-R53 VanDerWaalsContact O-N 3.09Å; F50-E54 PolarHBondContact O-N 3.35Å
51	Y	53.9	Low	48	Very low	117 Å²	117	114.5 Å²	114.5	46%	0.459	52%	0.524	S	S	.	.	H	α-helix	trans	-67	-25.4	175.4	-71.5	-65.2	0	0	0	113.2	L28 K47 R53 E54	L28-Y51 HydrophobicContact CD1-CE2 4.43Å; K47-Y51 HydrophobicContact CB-CD2 4.36Å; K47-Y51 HydrophobicContact CB-CE2 4.38Å; K47-Y51 WeakPolarHBondContact O-CD2 3.39Å; K47-Y51 PolarHBondContact O-N 2.92Å; Y51-R53 VanDerWaalsContact C-N 3.35Å; Y51-E54 WeakPolarHBondContact CD1-OE1 3.4Å
52	R	52.4	Low	47.8	Very low	193 Å²	193	115.4 Å²	115.4	73%	0.728	54%	0.536	S	S	*	.	H	α-helix	trans	-73.9	-24.6	171.7	-93.4	-174.4	174.5	-173.5	-2.9	113.4	R48 W49 F50	R48-R52 VanDerWaalsContact O-CB 3.31Å; R48-R52 WeakPolarHBondContact O-CB 3.44Å; R48-R52 WeakPolarHBondContact O-CG 3.26Å; R48-R52 PolarHBondContact O-N 3.02Å; W49-R52 PolarHBondContact O-N 3.43Å; W49-R52 VanDerWaalsContact O-N 3.14Å; F50-R52 VanDerWaalsContact C-N 3.28Å; F50-R52 PolarHBondContact O-N 3.09Å
53	R	43.9	Very low	47.3	Very low	163 Å²	163	117.1 Å²	117.1	62%	0.615	55%	0.548	S	S	*	.	S	Bend	trans	-98.6	2.6	-174.6	-136.2	-177.8	-175.2	-166.4	2	113.5	W49 F50 Y51 R55	W49-R53 PolarHBondContact O-N 3.18Å; F50-R53 PolarHBondContact O-N 3.28Å; F50-R53 VanDerWaalsContact O-N 3.09Å; Y51-R53 VanDerWaalsContact C-N 3.35Å; R53-R55 VanDerWaalsContact C-N 3.27Å; R53-R55 PolarHBondContact O-N 2.72Å
54	E	40	Very low	46.9	Very low	115 Å²	115	119.3 Å²	119.3	54%	0.537	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.7	83.9	172.5	-78	-175.3	169	0	0	111.7	F50 Y51	F50-E54 PolarHBondContact O-N 3.35Å; Y51-E54 WeakPolarHBondContact CD1-OE1 3.4Å
55	R	38.6	Very low	46.3	Very low	242 Å²	242	114.8 Å²	114.8	91%	0.913	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.9	-5.2	155.8	-76.3	-155.4	174.8	166.7	-1.2	115.6	R53	R53-R55 VanDerWaalsContact C-N 3.27Å; R53-R55 PolarHBondContact O-N 2.72Å
56	K	37.3	Very low	46	Very low	182 Å²	182	116.7 Å²	116.7	79%	0.791	55%	0.549	S	S	*	.	S	Bend	trans	-144.8	129.5	176.6	-65.8	-172.5	179.2	-178.4	0	112.3	V58	K56-V58 PolarHBondContact O-N 3.24Å
57	P	38.9	Very low	45.7	Very low	130 Å²	130	117.8 Å²	117.8	84%	0.844	56%	0.561	S	S	*	*			trans	-60	126.4	168.2	25.2	-31.2	0	0	0	108.7
58	V	40.7	Very low	45.3	Very low	112 Å²	112	116.6 Å²	116.6	68%	0.679	57%	0.565	S	S	*	*			trans	-89.4	110.3	172.3	-179.4	0	0	0	0	106.5	K56 M60	K56-V58 PolarHBondContact O-N 3.24Å; V58-M60 PolarHBondContact O-N 2.87Å
59	T	42.1	Very low	45.1	Very low	127 Å²	127	115 Å²	115	78%	0.779	56%	0.562	S	S	*	*			trans	-61.9	108.2	168.6	11.8	0	0	0	0	108.4	S61	T59-S61 PolarHBondContact O-N 3.45Å
60	M	42.8	Very low	45	Very low	69 Å²	69	114.8 Å²	114.8	34%	0.34	57%	0.57	S	S	.	*			trans	-59.6	105	168.5	-90.2	-106.8	161.6	0	0	107.8	I27 V58 L64	I27-M60 HydrophobicContact CD1-CE 3.62Å; I27-M60 HydrophobicContact CG1-CE 4.05Å; V58-M60 PolarHBondContact O-N 2.87Å; M60-L64 HydrophobicContact CE-CD2 3.24Å; M60-L64 HydrophobicContact CE-CG 3.69Å; M60-L64 HydrophobicContact CG-CD2 4.1Å; M60-L64 HydrophobicContact SD-CB 4.09Å; M60-L64 HydrophobicContact SD-CD2 3.49Å; M60-L64 WeakPolarHBondContact SD-CD2 3.23Å; M60-L64 HydrophobicContact SD-CG 3.65Å
61	S	46.3	Very low	44.8	Very low	57 Å²	57	113.9 Å²	113.9	40%	0.399	57%	0.568	S	S	.	*			trans	-67.6	151.8	174.9	69.4	0	0	0	0	109.4	T59 Q63 L64 E65	T59-S61 PolarHBondContact O-N 3.45Å; S61-Q63 PolarHBondContact O-N 2.83Å; S61-L64 WeakPolarHBondContact O-CB 3.28Å; S61-L64 PolarHBondContact O-N 2.84Å; S61-L64 PolarHBondContact OG-N 2.77Å; S61-E65 PolarHBondContact O-N 3.29Å
62	A	45.5	Very low	44.8	Very low	81 Å²	81	112.4 Å²	112.4	67%	0.669	58%	0.58	S	S	*	*	H	α-helix	trans	-52.8	-24.5	173.4	0	0	0	0	0	112.9	K66	A62-K66 VanDerWaalsContact O-CB 3.32Å; A62-K66 WeakPolarHBondContact O-CB 3.3Å; A62-K66 PolarHBondContact O-N 3.45Å
63	Q	39.1	Very low	45.3	Very low	156 Å²	156	111.5 Å²	111.5	73%	0.729	58%	0.581	S	S	*	*	H	α-helix	trans	-69.7	-38	173.9	-65.1	177	-28.9	0	0	112.6	S61 K66 A67	S61-Q63 PolarHBondContact O-N 2.83Å; Q63-K66 PolarHBondContact O-N 3.4Å; Q63-A67 VanDerWaalsContact O-CB 3.28Å; Q63-A67 WeakPolarHBondContact O-CB 3.44Å; Q63-A67 PolarHBondContact O-N 3.48Å
64	L	43.1	Very low	45.5	Very low	76 Å²	76	106.6 Å²	106.6	40%	0.398	57%	0.567	S	S	.	*	H	α-helix	trans	-71.6	-36.8	178.3	-168.6	57.4	0	0	0	111.3	M60 S61 A67 S68	M60-L64 HydrophobicContact CE-CD2 3.24Å; M60-L64 HydrophobicContact CE-CG 3.69Å; M60-L64 HydrophobicContact CG-CD2 4.1Å; M60-L64 HydrophobicContact SD-CB 4.09Å; M60-L64 HydrophobicContact SD-CD2 3.49Å; M60-L64 WeakPolarHBondContact SD-CD2 3.23Å; M60-L64 HydrophobicContact SD-CG 3.65Å; S61-L64 WeakPolarHBondContact O-CB 3.28Å; S61-L64 PolarHBondContact O-N 2.84Å; S61-L64 PolarHBondContact OG-N 2.77Å; L64-A67 PolarHBondContact O-N 3.24Å; L64-S68 WeakPolarHBondContact O-CB 3.43Å; L64-S68 PolarHBondContact O-N 3.4Å
65	E	45.8	Very low	46.5	Very low	82 Å²	82	103.2 Å²	103.2	38%	0.383	56%	0.555	S	S	.	*	H	α-helix	trans	-65.6	-43.6	172.1	-164.5	-167.8	152.5	0	0	111.5	S61 A67 S68 K69	S61-E65 PolarHBondContact O-N 3.29Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 2.98Å; E65-S68 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact O-CG 3.28Å; E65-K69 PolarHBondContact O-N 2.9Å; E65-K69 WeakPolarHBondContact OE1-CE 3.34Å; E65-K69 IonicContact OE1-NZ 3.28Å; E65-K69 PolarHBondContact OE1-NZ 2.96Å
66	K	47.7	Very low	47.2	Very low	152 Å²	152	97.3 Å²	97.3	66%	0.661	54%	0.538	S	S	*	.	H	α-helix	trans	-61.2	-42.6	173.5	-174.3	179.8	179.5	-177.4	0	111.6	A62 Q63 K69 T70	A62-K66 VanDerWaalsContact O-CB 3.32Å; A62-K66 WeakPolarHBondContact O-CB 3.3Å; A62-K66 PolarHBondContact O-N 3.45Å; Q63-K66 PolarHBondContact O-N 3.4Å; K66-K69 PolarHBondContact O-N 3.42Å; K66-T70 WeakPolarHBondContact O-CB 3.26Å; K66-T70 PolarHBondContact O-N 3.07Å; K66-T70 PolarHBondContact O-OG1 2.8Å
67	A	44.9	Very low	48	Very low	42 Å²	42	95.6 Å²	95.6	35%	0.347	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-45.7	176.6	0	0	0	0	0	111.1	Q63 L64 E65 K69 T70 V71	Q63-A67 VanDerWaalsContact O-CB 3.28Å; Q63-A67 WeakPolarHBondContact O-CB 3.44Å; Q63-A67 PolarHBondContact O-N 3.48Å; L64-A67 PolarHBondContact O-N 3.24Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 2.98Å; A67-K69 PolarHBondContact O-N 3.42Å; A67-T70 CarbonylContact O-C 3.6Å; A67-T70 WeakPolarHBondContact O-CA 3.24Å; A67-T70 WeakPolarHBondContact O-CB 3.33Å; A67-T70 PolarHBondContact O-N 2.83Å; A67-V71 WeakPolarHBondContact O-CG2 3.35Å; A67-V71 PolarHBondContact O-N 2.85Å
68	S	47.5	Very low	48.6	Very low	73 Å²	73	93.3 Å²	93.3	51%	0.51	51%	0.513	S	S	.	.	H	α-helix	trans	-57.3	-48.3	175.6	179.4	0	0	0	0	112.1	L64 E65 T70 V71 A72	L64-S68 WeakPolarHBondContact O-CB 3.43Å; L64-S68 PolarHBondContact O-N 3.4Å; E65-S68 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-N 2.64Å; S68-V71 PolarHBondContact O-N 3.36Å; S68-A72 WeakPolarHBondContact O-CB 3.5Å; S68-A72 PolarHBondContact O-N 2.77Å
69	K	54.6	Low	49	Very low	121 Å²	121	88.9 Å²	88.9	53%	0.526	49%	0.486	S	S	.	.	H	α-helix	trans	-62.1	-27.3	174.9	-74.1	174.2	178	165.7	0	113.3	E65 K66 A67 K73	E65-K69 WeakPolarHBondContact O-CG 3.28Å; E65-K69 PolarHBondContact O-N 2.9Å; E65-K69 WeakPolarHBondContact OE1-CE 3.34Å; E65-K69 IonicContact OE1-NZ 3.28Å; E65-K69 PolarHBondContact OE1-NZ 2.96Å; K66-K69 PolarHBondContact O-N 3.42Å; A67-K69 PolarHBondContact O-N 3.42Å; K69-K73 WeakPolarHBondContact O-CG 3.14Å
70	T	50	Low	49.4	Very low	75 Å²	75	86.3 Å²	86.3	46%	0.46	46%	0.462	S	S	.	.	H	α-helix	trans	-79.8	-46.5	177.7	-54.8	0	0	0	0	110.4	K66 A67 S68 A72 K73	K66-T70 WeakPolarHBondContact O-CB 3.26Å; K66-T70 PolarHBondContact O-N 3.07Å; K66-T70 PolarHBondContact O-OG1 2.8Å; A67-T70 CarbonylContact O-C 3.6Å; A67-T70 WeakPolarHBondContact O-CA 3.24Å; A67-T70 WeakPolarHBondContact O-CB 3.33Å; A67-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-N 2.64Å; T70-A72 VanDerWaalsContact C-N 3.28Å; T70-A72 PolarHBondContact O-N 2.92Å; T70-K73 WeakPolarHBondContact O-CB 3.42Å; T70-K73 PolarHBondContact O-N 3.43Å; T70-K73 VanDerWaalsContact O-N 3.08Å
71	V	46.9	Very low	49.8	Very low	26 Å²	26	87.6 Å²	87.6	16%	0.158	47%	0.471	C	S	.	.	H	α-helix	trans	-61.1	-38.2	177.2	174	0	0	0	0	111.3	A67 S68 K73 L74 S79 I82 V83	A67-V71 WeakPolarHBondContact O-CG2 3.35Å; A67-V71 PolarHBondContact O-N 2.85Å; S68-V71 PolarHBondContact O-N 3.36Å; V71-K73 PolarHBondContact O-N 3.36Å; V71-L74 WeakPolarHBondContact O-CB 3.29Å; V71-L74 PolarHBondContact O-N 3.47Å; V71-L74 VanDerWaalsContact O-N 3.16Å; V71-S79 WeakPolarHBondContact O-CB 3.38Å; V71-I82 HydrophobicContact CG2-CG2 3.73Å; V71-V83 HydrophobicContact CG1-CG2 4.01Å
72	A	53.7	Low	50.1	Low	86 Å²	86	87.7 Å²	87.7	71%	0.711	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17	177	0	0	0	0	0	114.4	S68 T70	S68-A72 WeakPolarHBondContact O-CB 3.5Å; S68-A72 PolarHBondContact O-N 2.77Å; T70-A72 VanDerWaalsContact C-N 3.28Å; T70-A72 PolarHBondContact O-N 2.92Å
73	K	61.4	Low	50.4	Low	174 Å²	174	85.3 Å²	85.3	76%	0.757	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-8.3	176.5	-68.9	174.2	-178.4	-170.8	0	113.1	K69 T70 V71	K69-K73 WeakPolarHBondContact O-CG 3.14Å; T70-K73 WeakPolarHBondContact O-CB 3.42Å; T70-K73 PolarHBondContact O-N 3.43Å; T70-K73 VanDerWaalsContact O-N 3.08Å; V71-K73 PolarHBondContact O-N 3.36Å
74	L	49	Very low	51	Low	60 Å²	60	82.5 Å²	82.5	31%	0.314	43%	0.429	S	S	.	.	S	Bend	trans	-81.6	152.7	-179	-63.6	172.5	0	0	0	110.3	V71 I78 I82	V71-L74 WeakPolarHBondContact O-CB 3.29Å; V71-L74 PolarHBondContact O-N 3.47Å; V71-L74 VanDerWaalsContact O-N 3.16Å; L74-I78 HydrophobicContact CB-CB 4.25Å; L74-I78 HydrophobicContact CB-CG2 4.26Å; L74-I78 HydrophobicContact CD1-CG2 3.98Å; L74-I78 HydrophobicContact CD2-CG2 4.49Å; L74-I78 HydrophobicContact CG-CG2 4.48Å; L74-I82 HydrophobicContact CD1-CD1 3.2Å
75	P	61	Low	51.2	Low	45 Å²	45	83.1 Å²	83.1	29%	0.292	43%	0.429	S	S	.	.			trans	-46	145.5	165.9	-24.2	29.7	0	0	0	111.2	E77 I78 S79	P75-E77 PolarHBondContact O-N 3.48Å; P75-E77 VanDerWaalsContact O-N 3.1Å; P75-I78 HydrophobicContact CB-CD1 4.29Å; P75-I78 HydrophobicContact CB-CG1 4.2Å; P75-I78 HydrophobicContact CG-CD1 3.81Å; P75-I78 HydrophobicContact CG-CG1 4.26Å; P75-I78 PolarHBondContact O-N 2.92Å; P75-S79 PolarHBondContact O-N 3.1Å; P75-S79 PolarHBondContact O-OG 2.79Å
76	Q	53.8	Low	51.5	Low	117 Å²	117	83.3 Å²	83.3	55%	0.547	43%	0.432	S	S	.	.	H	α-helix	trans	-56.8	-33.5	-174.3	-164.2	-179.4	11.6	0	0	112.4	S79 R80	Q76-S79 VanDerWaalsContact CA-OG 3.31Å; Q76-S79 WeakPolarHBondContact CA-OG 3.3Å; Q76-S79 PolarHBondContact O-OG 2.89Å; Q76-R80 VanDerWaalsContact CD-NH2 3.35Å; Q76-R80 WeakPolarHBondContact O-CB 3.22Å; Q76-R80 WeakPolarHBondContact O-CD 3.32Å; Q76-R80 WeakPolarHBondContact O-CG 3.37Å; Q76-R80 PolarHBondContact O-N 2.77Å
77	E	53.7	Low	51.5	Low	147 Å²	147	78 Å²	78	69%	0.687	41%	0.411	S	S	*	.	H	α-helix	trans	-66.3	-46.2	176.9	-66	166.2	-176.9	0	0	111.9	P75 R80 D81	P75-E77 PolarHBondContact O-N 3.48Å; P75-E77 VanDerWaalsContact O-N 3.1Å; E77-R80 WeakPolarHBondContact O-CB 3.37Å; E77-R80 PolarHBondContact O-N 2.83Å; E77-D81 PolarHBondContact O-N 3.48Å; E77-D81 VanDerWaalsContact O-N 3.12Å
78	I	50.6	Low	51.6	Low	82 Å²	82	79 Å²	79	42%	0.421	41%	0.409	S	S	.	.	H	α-helix	trans	-71.2	-39.5	-179	-56.4	-176	0	0	0	111.1	L74 P75 R80 D81 I82	L74-I78 HydrophobicContact CB-CB 4.25Å; L74-I78 HydrophobicContact CB-CG2 4.26Å; L74-I78 HydrophobicContact CD1-CG2 3.98Å; L74-I78 HydrophobicContact CD2-CG2 4.49Å; L74-I78 HydrophobicContact CG-CG2 4.48Å; P75-I78 HydrophobicContact CB-CD1 4.29Å; P75-I78 HydrophobicContact CB-CG1 4.2Å; P75-I78 HydrophobicContact CG-CD1 3.81Å; P75-I78 HydrophobicContact CG-CG1 4.26Å; P75-I78 PolarHBondContact O-N 2.92Å; I78-R80 VanDerWaalsContact C-N 3.32Å; I78-R80 PolarHBondContact O-N 3.25Å; I78-D81 PolarHBondContact O-N 3.34Å; I78-I82 HydrophobicContact CG2-CD1 3.92Å; I78-I82 WeakPolarHBondContact O-CG1 3.29Å; I78-I82 PolarHBondContact O-N 2.97Å
79	S	49.3	Very low	51.3	Low	18 Å²	18	85.7 Å²	85.7	13%	0.126	42%	0.423	C	S	.	.	H	α-helix	trans	-64.2	-37.7	174.5	57.8	0	0	0	0	111.8	V71 P75 Q76 I82 V83	V71-S79 WeakPolarHBondContact O-CB 3.38Å; P75-S79 PolarHBondContact O-N 3.1Å; P75-S79 PolarHBondContact O-OG 2.79Å; Q76-S79 VanDerWaalsContact CA-OG 3.31Å; Q76-S79 WeakPolarHBondContact CA-OG 3.3Å; Q76-S79 PolarHBondContact O-OG 2.89Å; S79-I82 PolarHBondContact O-N 2.71Å; S79-V83 VanDerWaalsContact O-CB 3.3Å; S79-V83 WeakPolarHBondContact O-CB 3.33Å; S79-V83 WeakPolarHBondContact O-CG2 3.18Å; S79-V83 PolarHBondContact O-N 3.37Å
80	R	51	Low	50.8	Low	73 Å²	73	82 Å²	82	28%	0.275	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-46.6	173.4	-78.6	166.6	-177.7	-174.1	4.8	111.5	Q76 E77 I78 V83 F84	Q76-R80 VanDerWaalsContact CD-NH2 3.35Å; Q76-R80 WeakPolarHBondContact O-CB 3.22Å; Q76-R80 WeakPolarHBondContact O-CD 3.32Å; Q76-R80 WeakPolarHBondContact O-CG 3.37Å; Q76-R80 PolarHBondContact O-N 2.77Å; E77-R80 WeakPolarHBondContact O-CB 3.37Å; E77-R80 PolarHBondContact O-N 2.83Å; I78-R80 VanDerWaalsContact C-N 3.32Å; I78-R80 PolarHBondContact O-N 3.25Å; R80-V83 PolarHBondContact O-N 3.08Å; R80-F84 WeakPolarHBondContact O-CB 3.47Å; R80-F84 PolarHBondContact O-N 3.16Å
81	D	52.2	Low	50.4	Low	97 Å²	97	82.1 Å²	82.1	52%	0.519	41%	0.409	S	S	.	.	H	α-helix	trans	-65.3	-42	179.4	-74.5	-15.7	0	0	0	112.2	E77 I78 F84 H85	E77-D81 PolarHBondContact O-N 3.48Å; E77-D81 VanDerWaalsContact O-N 3.12Å; I78-D81 PolarHBondContact O-N 3.34Å; D81-F84 WeakPolarHBondContact O-CB 3.2Å; D81-F84 PolarHBondContact O-N 3.23Å; D81-H85 WeakPolarHBondContact O-CB 3.38Å; D81-H85 PolarHBondContact O-N 3.26Å; D81-H85 PolarHBondContact O-ND1 2.82Å
82	I	51.2	Low	49.8	Very low	58 Å²	58	83.4 Å²	83.4	30%	0.297	43%	0.427	S	S	.	.	H	α-helix	trans	-66.4	-43.1	177.8	-69.2	164.4	0	0	0	111.1	V71 L74 I78 S79 F84 H85 I86	V71-I82 HydrophobicContact CG2-CG2 3.73Å; L74-I82 HydrophobicContact CD1-CD1 3.2Å; I78-I82 HydrophobicContact CG2-CD1 3.92Å; I78-I82 WeakPolarHBondContact O-CG1 3.29Å; I78-I82 PolarHBondContact O-N 2.97Å; S79-I82 PolarHBondContact O-N 2.71Å; I82-F84 VanDerWaalsContact C-N 3.33Å; I82-H85 PolarHBondContact O-N 3.4Å; I82-I86 HydrophobicContact CG2-CD1 3.72Å; I82-I86 HydrophobicContact CG2-CG1 4.39Å; I82-I86 WeakPolarHBondContact O-CB 3.5Å; I82-I86 VanDerWaalsContact O-CG1 3.23Å; I82-I86 WeakPolarHBondContact O-CG1 3.45Å; I82-I86 PolarHBondContact O-N 3.22Å
83	V	52.3	Low	48.9	Very low	31 Å²	31	83.1 Å²	83.1	19%	0.188	41%	0.413	C	S	.	.	H	α-helix	trans	-63.3	-42.2	175.7	170.6	0	0	0	0	110.4	V71 S79 R80 I86 L87	V71-V83 HydrophobicContact CG1-CG2 4.01Å; S79-V83 VanDerWaalsContact O-CB 3.3Å; S79-V83 WeakPolarHBondContact O-CB 3.33Å; S79-V83 WeakPolarHBondContact O-CG2 3.18Å; S79-V83 PolarHBondContact O-N 3.37Å; R80-V83 PolarHBondContact O-N 3.08Å; V83-I86 PolarHBondContact O-N 2.99Å; V83-L87 HydrophobicContact CG1-CD1 3.86Å; V83-L87 WeakPolarHBondContact O-CB 3.48Å; V83-L87 WeakPolarHBondContact O-CD1 3.4Å; V83-L87 VanDerWaalsContact O-CG 3.23Å; V83-L87 WeakPolarHBondContact O-CG 3.49Å; V83-L87 PolarHBondContact O-N 3.41Å
84	F	50.8	Low	47.7	Very low	98 Å²	98	80.1 Å²	80.1	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-60	-45	174.7	-179.6	-98.6	0	0	0	111.7	R80 D81 I82 L87 M88	R80-F84 WeakPolarHBondContact O-CB 3.47Å; R80-F84 PolarHBondContact O-N 3.16Å; D81-F84 WeakPolarHBondContact O-CB 3.2Å; D81-F84 PolarHBondContact O-N 3.23Å; I82-F84 VanDerWaalsContact C-N 3.33Å; F84-L87 WeakPolarHBondContact O-CB 3.48Å; F84-L87 PolarHBondContact O-N 3.3Å; F84-M88 HydrophobicContact CD1-CG 4.23Å; F84-M88 HydrophobicContact CE1-CG 3.92Å; F84-M88 HydrophobicContact CZ-CG 4.13Å; F84-M88 HydrophobicContact CZ-SD 4.24Å; F84-M88 VanDerWaalsContact O-CG 3.28Å; F84-M88 WeakPolarHBondContact O-CG 3.42Å; F84-M88 PolarHBondContact O-N 2.71Å
85	H	49	Very low	47	Very low	88 Å²	88	81.6 Å²	81.6	41%	0.407	44%	0.435	S	S	.	.	H	α-helix	trans	-70.7	-36.8	179.4	-77.3	79.1	0	0	0	112.9	D81 I82 L87 M88 W89	D81-H85 WeakPolarHBondContact O-CB 3.38Å; D81-H85 PolarHBondContact O-N 3.26Å; D81-H85 PolarHBondContact O-ND1 2.82Å; I82-H85 PolarHBondContact O-N 3.4Å; H85-L87 VanDerWaalsContact C-N 3.31Å; H85-M88 PolarHBondContact O-N 2.76Å; H85-W89 WeakPolarHBondContact O-CB 3.39Å; H85-W89 PolarHBondContact O-N 3.35Å
86	I	50.5	Low	45.7	Very low	87 Å²	87	87 Å²	87	45%	0.446	45%	0.454	S	S	.	.	H	α-helix	trans	-63.3	-40.1	171.4	-69.2	167.2	0	0	0	110.4	I82 V83 W89 T90	I82-I86 HydrophobicContact CG2-CD1 3.72Å; I82-I86 HydrophobicContact CG2-CG1 4.39Å; I82-I86 WeakPolarHBondContact O-CB 3.5Å; I82-I86 VanDerWaalsContact O-CG1 3.23Å; I82-I86 WeakPolarHBondContact O-CG1 3.45Å; I82-I86 PolarHBondContact O-N 3.22Å; V83-I86 PolarHBondContact O-N 2.99Å; I86-W89 PolarHBondContact O-N 3.02Å; I86-T90 HydrophobicContact CG2-CG2 4.36Å; I86-T90 WeakPolarHBondContact O-CB 3.26Å; I86-T90 VanDerWaalsContact O-CG2 3.28Å; I86-T90 WeakPolarHBondContact O-CG2 3.42Å; I86-T90 PolarHBondContact O-N 2.92Å; I86-T90 PolarHBondContact O-OG1 3.31Å
87	L	47.5	Very low	44.8	Very low	41 Å²	41	83.6 Å²	83.6	22%	0.215	45%	0.45	C	S	.	.	H	α-helix	trans	-62.2	-45	173.1	-77.6	162.9	0	0	0	111.5	L46 V83 F84 H85 W89 T90 N91	L46-L87 HydrophobicContact CD1-CD2 3.4Å; L46-L87 VanDerWaalsContact CD1-CD2 3.4Å; V83-L87 HydrophobicContact CG1-CD1 3.86Å; V83-L87 WeakPolarHBondContact O-CB 3.48Å; V83-L87 WeakPolarHBondContact O-CD1 3.4Å; V83-L87 VanDerWaalsContact O-CG 3.23Å; V83-L87 WeakPolarHBondContact O-CG 3.49Å; V83-L87 PolarHBondContact O-N 3.41Å; F84-L87 WeakPolarHBondContact O-CB 3.48Å; F84-L87 PolarHBondContact O-N 3.3Å; H85-L87 VanDerWaalsContact C-N 3.31Å; L87-W89 PolarHBondContact O-N 3.34Å; L87-T90 WeakPolarHBondContact CA-OG1 3.26Å; L87-T90 PolarHBondContact O-N 3.49Å; L87-T90 PolarHBondContact O-OG1 3.04Å; L87-T90 VanDerWaalsContact O-OG1 3.05Å; L87-N91 VanDerWaalsContact O-CB 3.3Å; L87-N91 WeakPolarHBondContact O-CB 3.33Å; L87-N91 PolarHBondContact O-N 2.87Å; L87-N91 PolarHBondContact O-ND2 3.4Å
88	M	47.1	Very low	43.8	Very low	61 Å²	61	86.3 Å²	86.3	30%	0.3	45%	0.454	S	S	.	.	H	α-helix	trans	-62.7	-42.5	176.6	-69.4	-64.2	-73	0	0	112.3	F84 H85 N91 I93	F84-M88 HydrophobicContact CD1-CG 4.23Å; F84-M88 HydrophobicContact CE1-CG 3.92Å; F84-M88 HydrophobicContact CZ-CG 4.13Å; F84-M88 HydrophobicContact CZ-SD 4.24Å; F84-M88 VanDerWaalsContact O-CG 3.28Å; F84-M88 WeakPolarHBondContact O-CG 3.42Å; F84-M88 PolarHBondContact O-N 2.71Å; H85-M88 PolarHBondContact O-N 2.76Å; M88-N91 PolarHBondContact O-N 3.44Å; M88-I93 HydrophobicContact CE-CD1 3.36Å; M88-I93 HydrophobicContact CE-CG2 4.29Å; M88-I93 HydrophobicContact SD-CD1 3.68Å
89	W	42.3	Very low	43	Very low	214 Å²	214	87.8 Å²	87.8	81%	0.811	46%	0.463	S	S	*	.	H	α-helix	trans	-65	-44.7	177.5	-170.8	81	0	0	0	112.1	H85 I86 L87 N91 G92	H85-W89 WeakPolarHBondContact O-CB 3.39Å; H85-W89 PolarHBondContact O-N 3.35Å; I86-W89 PolarHBondContact O-N 3.02Å; L87-W89 PolarHBondContact O-N 3.34Å; W89-N91 VanDerWaalsContact C-N 3.29Å; W89-N91 PolarHBondContact O-N 3.12Å; W89-G92 PolarHBondContact O-N 3.03Å
90	T	44.3	Very low	42.4	Very low	45 Å²	45	87.5 Å²	87.5	28%	0.276	46%	0.461	S	S	.	.	H	α-helix	trans	-70.6	-23.2	178.4	51	0	0	0	0	113.8	I86 L87 G92	I86-T90 HydrophobicContact CG2-CG2 4.36Å; I86-T90 WeakPolarHBondContact O-CB 3.26Å; I86-T90 VanDerWaalsContact O-CG2 3.28Å; I86-T90 WeakPolarHBondContact O-CG2 3.42Å; I86-T90 PolarHBondContact O-N 2.92Å; I86-T90 PolarHBondContact O-OG1 3.31Å; L87-T90 WeakPolarHBondContact CA-OG1 3.26Å; L87-T90 PolarHBondContact O-N 3.49Å; L87-T90 PolarHBondContact O-OG1 3.04Å; L87-T90 VanDerWaalsContact O-OG1 3.05Å; T90-G92 PolarHBondContact O-N 3.1Å
91	N	40.1	Very low	41.7	Very low	77 Å²	77	92 Å²	92	41%	0.412	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	2.6	173.9	-79.9	-41.9	0	0	0	114	L87 M88 W89 I93	L87-N91 VanDerWaalsContact O-CB 3.3Å; L87-N91 WeakPolarHBondContact O-CB 3.33Å; L87-N91 PolarHBondContact O-N 2.87Å; L87-N91 PolarHBondContact O-ND2 3.4Å; M88-N91 PolarHBondContact O-N 3.44Å; W89-N91 VanDerWaalsContact C-N 3.29Å; W89-N91 PolarHBondContact O-N 3.12Å; N91-I93 HydrophobicContact CB-CD1 4.23Å; N91-I93 HydrophobicContact CB-CG1 4.16Å; N91-I93 PolarHBondContact O-N 2.94Å; N91-I93 VanDerWaalsContact O-N 3.17Å
92	G	34.5	Very low	41.2	Very low	52 Å²	52	91.9 Å²	91.9	54%	0.536	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	20.6	176.6	0	0	0	0	0	113.2	W89 T90 S94	W89-G92 PolarHBondContact O-N 3.03Å; T90-G92 PolarHBondContact O-N 3.1Å; G92-S94 PolarHBondContact O-N 3.17Å; G92-S94 PolarHBondContact O-OG 2.83Å; G92-S94 VanDerWaalsContact O-OG 3.08Å
93	I	35.1	Very low	40.8	Very low	81 Å²	81	97.6 Å²	97.6	42%	0.415	49%	0.494	S	S	.	.			trans	-72.2	70.1	167	-55.2	174.1	0	0	0	106.3	M88 N91 A95	M88-I93 HydrophobicContact CE-CD1 3.36Å; M88-I93 HydrophobicContact CE-CG2 4.29Å; M88-I93 HydrophobicContact SD-CD1 3.68Å; N91-I93 HydrophobicContact CB-CD1 4.23Å; N91-I93 HydrophobicContact CB-CG1 4.16Å; N91-I93 PolarHBondContact O-N 2.94Å; N91-I93 VanDerWaalsContact O-N 3.17Å; I93-A95 PolarHBondContact O-N 3.38Å
94	S	35.6	Very low	40.2	Very low	110 Å²	110	100 Å²	100	77%	0.769	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	4.8	-175.8	47	0	0	0	0	112.3	G92 F96	G92-S94 PolarHBondContact O-N 3.17Å; G92-S94 PolarHBondContact O-OG 2.83Å; G92-S94 VanDerWaalsContact O-OG 3.08Å; S94-F96 VanDerWaalsContact C-N 3.34Å
95	A	34.4	Very low	39.9	Very low	92 Å²	92	98.8 Å²	98.8	76%	0.76	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.4	-176.2	0	0	0	0	0	114.3	I93 G97	I93-A95 PolarHBondContact O-N 3.38Å; A95-G97 PolarHBondContact O-N 3.49Å
96	F	34.6	Very low	39.7	Very low	159 Å²	159	98.5 Å²	98.5	70%	0.697	50%	0.504	S	S	*	.	S	Bend	trans	-83.3	80.7	165	-91.8	-65.4	0	0	0	107.4	S94 A100	S94-F96 VanDerWaalsContact C-N 3.34Å; F96-A100 VanDerWaalsContact C-CB 3.49Å; F96-A100 HydrophobicContact CB-CB 3.23Å; F96-A100 HydrophobicContact CD1-CB 3.28Å; F96-A100 HydrophobicContact CE1-CB 4.41Å; F96-A100 HydrophobicContact CG-CB 3.63Å
97	G	33.8	Very low	39.4	Very low	45 Å²	45	96.7 Å²	96.7	46%	0.464	50%	0.502	S	S	.	.			trans	-56.3	176.8	179.8	0	0	0	0	0	112.5	A95 N99 A100	A95-G97 PolarHBondContact O-N 3.49Å; G97-N99 CarbonylContact O-C 3.58Å; G97-N99 PolarHBondContact O-N 3.44Å; G97-A100 WeakPolarHBondContact O-CB 3.38Å; G97-A100 PolarHBondContact O-N 3.03Å
98	R	32.8	Very low	39.1	Very low	204 Å²	204	99.3 Å²	99.3	77%	0.77	52%	0.515	S	S	*	.	H	α-helix	trans	-41.4	-35	-175.3	-150.2	177.2	-68.9	-163	0.4	114.4	A100 R101 E102	R98-A100 VanDerWaalsContact C-N 3.34Å; R98-A100 PolarHBondContact O-N 3.25Å; R98-R101 WeakPolarHBondContact O-CB 3.32Å; R98-R101 PolarHBondContact O-N 2.84Å; R98-E102 PolarHBondContact O-N 2.94Å
99	N	35.1	Very low	39	Very low	112 Å²	112	102.2 Å²	102.2	60%	0.599	53%	0.528	S	S	*	.	H	α-helix	trans	-61.9	-32.7	175.2	-56.5	4.4	0	0	0	114.1	G97 E102 Y103	G97-N99 CarbonylContact O-C 3.58Å; G97-N99 PolarHBondContact O-N 3.44Å; N99-E102 CarbonylContact O-C 3.23Å; N99-E102 PolarHBondContact O-N 2.83Å; N99-Y103 WeakPolarHBondContact O-CB 3.45Å; N99-Y103 VanDerWaalsContact O-CD2 3.26Å; N99-Y103 WeakPolarHBondContact O-CD2 3.38Å; N99-Y103 PolarHBondContact O-N 3.31Å
100	A	35.9	Very low	39.2	Very low	12 Å²	12	98.2 Å²	98.2	10%	0.099	52%	0.52	C	S	.	.	H	α-helix	trans	-71.8	-34.5	178.2	0	0	0	0	0	113.2	F96 G97 R98 E102 L104	F96-A100 VanDerWaalsContact C-CB 3.49Å; F96-A100 HydrophobicContact CB-CB 3.23Å; F96-A100 HydrophobicContact CD1-CB 3.28Å; F96-A100 HydrophobicContact CE1-CB 4.41Å; F96-A100 HydrophobicContact CG-CB 3.63Å; G97-A100 WeakPolarHBondContact O-CB 3.38Å; G97-A100 PolarHBondContact O-N 3.03Å; R98-A100 VanDerWaalsContact C-N 3.34Å; R98-A100 PolarHBondContact O-N 3.25Å; A100-E102 VanDerWaalsContact C-N 3.33Å; A100-L104 WeakPolarHBondContact O-CB 3.39Å; A100-L104 PolarHBondContact O-N 3.02Å
101	R	36.6	Very low	39.1	Very low	167 Å²	167	102.6 Å²	102.6	63%	0.63	54%	0.537	S	S	*	.	H	α-helix	trans	-65.3	-41.7	170.7	178.1	-178.8	176.8	-89.1	-1.3	109.9	R98 L104 I105	R98-R101 WeakPolarHBondContact O-CB 3.32Å; R98-R101 PolarHBondContact O-N 2.84Å; R101-L104 PolarHBondContact O-N 3.35Å; R101-I105 HydrophobicContact CG-CD1 4.14Å; R101-I105 VanDerWaalsContact O-CG1 3.26Å; R101-I105 WeakPolarHBondContact O-CG1 3.09Å; R101-I105 PolarHBondContact O-N 3.45Å
102	E	41.7	Very low	39.1	Very low	96 Å²	96	103.6 Å²	103.6	45%	0.449	54%	0.542	S	S	.	.	H	α-helix	trans	-64.8	-47.4	173.6	-72.5	167.8	-174.5	0	0	110.9	R98 N99 A100 L104 I105 D106	R98-E102 PolarHBondContact O-N 2.94Å; N99-E102 CarbonylContact O-C 3.23Å; N99-E102 PolarHBondContact O-N 2.83Å; A100-E102 VanDerWaalsContact C-N 3.33Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 2.96Å; E102-I105 CarbonylContact O-C 3.58Å; E102-I105 PolarHBondContact O-N 3.02Å; E102-I105 VanDerWaalsContact O-N 3.1Å; E102-D106 WeakPolarHBondContact O-CB 3.37Å; E102-D106 PolarHBondContact O-N 3.48Å
103	Y	42.5	Very low	39.6	Very low	178 Å²	178	107.3 Å²	107.3	70%	0.698	54%	0.543	S	S	*	.	H	α-helix	trans	-57.7	-36.1	172.9	-95.4	-73.4	0	0	0	113.4	N99 A107	N99-Y103 WeakPolarHBondContact O-CB 3.45Å; N99-Y103 VanDerWaalsContact O-CD2 3.26Å; N99-Y103 WeakPolarHBondContact O-CD2 3.38Å; N99-Y103 PolarHBondContact O-N 3.31Å; Y103-A107 WeakPolarHBondContact O-CB 3.28Å; Y103-A107 PolarHBondContact O-N 3.49Å
104	L	39.5	Very low	40.2	Very low	82 Å²	82	106.6 Å²	106.6	43%	0.429	54%	0.543	S	S	.	.	H	α-helix	trans	-71.6	-40	176.4	-119.9	120.1	0	0	0	111.8	A100 R101 E102 I108	A100-L104 WeakPolarHBondContact O-CB 3.39Å; A100-L104 PolarHBondContact O-N 3.02Å; R101-L104 PolarHBondContact O-N 3.35Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 2.96Å; L104-I108 HydrophobicContact CD2-CD1 4.19Å; L104-I108 WeakPolarHBondContact O-CB 3.31Å; L104-I108 WeakPolarHBondContact O-CD1 3.35Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 2.81Å
105	I	44.5	Very low	40.5	Very low	71 Å²	71	106.3 Å²	106.3	36%	0.364	53%	0.532	S	S	.	.	H	α-helix	trans	-64.5	-45.8	174.1	-69.8	166.7	0	0	0	109.2	R101 E102 A107 I108 E109	R101-I105 HydrophobicContact CG-CD1 4.14Å; R101-I105 VanDerWaalsContact O-CG1 3.26Å; R101-I105 WeakPolarHBondContact O-CG1 3.09Å; R101-I105 PolarHBondContact O-N 3.45Å; E102-I105 CarbonylContact O-C 3.58Å; E102-I105 PolarHBondContact O-N 3.02Å; E102-I105 VanDerWaalsContact O-N 3.1Å; I105-A107 PolarHBondContact O-N 3.02Å; I105-I108 PolarHBondContact O-N 3.24Å; I105-E109 WeakPolarHBondContact O-CB 3.38Å; I105-E109 PolarHBondContact O-N 2.88Å
106	D	44.6	Very low	40.8	Very low	83 Å²	83	108 Å²	108	44%	0.444	53%	0.526	S	S	.	.	H	α-helix	trans	-62.6	-41.7	177.3	-68.6	-11	0	0	0	111.7	E102 E109 M110	E102-D106 WeakPolarHBondContact O-CB 3.37Å; E102-D106 PolarHBondContact O-N 3.48Å; D106-E109 PolarHBondContact O-N 2.95Å; D106-M110 WeakPolarHBondContact O-CB 3.35Å; D106-M110 VanDerWaalsContact O-CG 3.32Å; D106-M110 WeakPolarHBondContact O-CG 3.45Å; D106-M110 PolarHBondContact O-N 2.65Å
107	A	44.5	Very low	41.4	Very low	48 Å²	48	104.9 Å²	104.9	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-43.6	177.2	0	0	0	0	0	111.7	Y103 I105 M110 E111	Y103-A107 WeakPolarHBondContact O-CB 3.28Å; Y103-A107 PolarHBondContact O-N 3.49Å; I105-A107 PolarHBondContact O-N 3.02Å; A107-M110 PolarHBondContact O-N 2.76Å; A107-E111 WeakPolarHBondContact O-CB 3.36Å; A107-E111 WeakPolarHBondContact O-CG 3.48Å; A107-E111 PolarHBondContact O-N 2.83Å
108	I	42.7	Very low	42	Very low	96 Å²	96	106.7 Å²	106.7	49%	0.492	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-41.4	174.9	-69.3	167.5	0	0	0	110.6	L104 I105 E111 L112	L104-I108 HydrophobicContact CD2-CD1 4.19Å; L104-I108 WeakPolarHBondContact O-CB 3.31Å; L104-I108 WeakPolarHBondContact O-CD1 3.35Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 2.81Å; I105-I108 PolarHBondContact O-N 3.24Å; I108-E111 PolarHBondContact O-N 2.88Å; I108-L112 HydrophobicContact CG2-CD1 3.89Å; I108-L112 HydrophobicContact CG2-CG 4.41Å; I108-L112 VanDerWaalsContact O-CB 3.3Å; I108-L112 WeakPolarHBondContact O-CB 3.21Å; I108-L112 VanDerWaalsContact O-CG 3.29Å; I108-L112 WeakPolarHBondContact O-CG 3.32Å; I108-L112 PolarHBondContact O-N 3.43Å
109	E	43	Very low	42.4	Very low	123 Å²	123	101.8 Å²	101.8	58%	0.575	50%	0.498	S	S	*	.	H	α-helix	trans	-63.9	-40.8	174.7	-85.2	-167.8	160.3	0	0	111.9	I105 D106 L112 K113	I105-E109 WeakPolarHBondContact O-CB 3.38Å; I105-E109 PolarHBondContact O-N 2.88Å; D106-E109 PolarHBondContact O-N 2.95Å; E109-L112 PolarHBondContact O-N 3.28Å; E109-K113 VanDerWaalsContact O-CB 3.23Å; E109-K113 WeakPolarHBondContact O-CB 3.45Å; E109-K113 PolarHBondContact O-N 2.9Å
110	M	47.1	Very low	42.8	Very low	130 Å²	130	99.5 Å²	99.5	64%	0.64	49%	0.488	S	S	*	.	H	α-helix	trans	-65.2	-43.8	175.9	-79.2	-144.9	-57	0	0	112.3	D106 A107 K113 T114	D106-M110 WeakPolarHBondContact O-CB 3.35Å; D106-M110 VanDerWaalsContact O-CG 3.32Å; D106-M110 WeakPolarHBondContact O-CG 3.45Å; D106-M110 PolarHBondContact O-N 2.65Å; A107-M110 PolarHBondContact O-N 2.76Å; M110-K113 PolarHBondContact O-N 2.86Å; M110-T114 WeakPolarHBondContact O-CB 3.22Å; M110-T114 PolarHBondContact O-N 3.31Å; M110-T114 PolarHBondContact O-OG1 3.34Å
111	E	43	Very low	43.4	Very low	137 Å²	137	104.2 Å²	104.2	64%	0.64	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-43.1	176.1	-74.3	-65.1	163.2	0	0	111.1	A107 I108 K113 T114 L115	A107-E111 WeakPolarHBondContact O-CB 3.36Å; A107-E111 WeakPolarHBondContact O-CG 3.48Å; A107-E111 PolarHBondContact O-N 2.83Å; I108-E111 PolarHBondContact O-N 2.88Å; E111-K113 VanDerWaalsContact C-N 3.35Å; E111-K113 PolarHBondContact O-N 3.44Å; E111-T114 PolarHBondContact O-N 2.83Å; E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 PolarHBondContact O-N 3.27Å
112	L	40.7	Very low	43.9	Very low	97 Å²	97	100.9 Å²	100.9	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-43.1	174.2	-79.7	170	0	0	0	111.9	I108 E109 L115 M116	I108-L112 HydrophobicContact CG2-CD1 3.89Å; I108-L112 HydrophobicContact CG2-CG 4.41Å; I108-L112 VanDerWaalsContact O-CB 3.3Å; I108-L112 WeakPolarHBondContact O-CB 3.21Å; I108-L112 VanDerWaalsContact O-CG 3.29Å; I108-L112 WeakPolarHBondContact O-CG 3.32Å; I108-L112 PolarHBondContact O-N 3.43Å; E109-L112 PolarHBondContact O-N 3.28Å; L112-L115 PolarHBondContact O-N 3.42Å; L112-M116 WeakPolarHBondContact O-CB 3.41Å; L112-M116 VanDerWaalsContact O-CG 3.28Å; L112-M116 WeakPolarHBondContact O-CG 3.23Å; L112-M116 PolarHBondContact O-N 2.99Å
113	K	44.3	Very low	44.1	Very low	130 Å²	130	105.6 Å²	105.6	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-63.8	-43.9	176.6	-172.8	-179.8	177.3	-174.1	0	111.3	E109 M110 E111 M116 E117	E109-K113 VanDerWaalsContact O-CB 3.23Å; E109-K113 WeakPolarHBondContact O-CB 3.45Å; E109-K113 PolarHBondContact O-N 2.9Å; M110-K113 PolarHBondContact O-N 2.86Å; E111-K113 VanDerWaalsContact C-N 3.35Å; E111-K113 PolarHBondContact O-N 3.44Å; K113-M116 PolarHBondContact O-N 3.23Å; K113-E117 WeakPolarHBondContact CE-OE1 3.34Å; K113-E117 WeakPolarHBondContact O-CG 3.3Å; K113-E117 PolarHBondContact O-N 2.74Å
114	T	48	Very low	44.4	Very low	66 Å²	66	105.8 Å²	105.8	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-45.6	176.4	-57.3	0	0	0	0	110.6	M110 E111 M116 E117 E118	M110-T114 WeakPolarHBondContact O-CB 3.22Å; M110-T114 PolarHBondContact O-N 3.31Å; M110-T114 PolarHBondContact O-OG1 3.34Å; E111-T114 PolarHBondContact O-N 2.83Å; T114-M116 PolarHBondContact O-N 2.94Å; T114-E117 PolarHBondContact O-N 3.41Å; T114-E118 WeakPolarHBondContact O-CG 3.14Å; T114-E118 PolarHBondContact O-N 2.9Å
115	L	41.7	Very low	44.5	Very low	104 Å²	104	107.8 Å²	107.8	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-62.3	-41	175.8	-168.5	123.8	0	0	0	111.9	E111 L112 E118 L119	E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 PolarHBondContact O-N 3.27Å; L112-L115 PolarHBondContact O-N 3.42Å; L115-E118 PolarHBondContact O-N 3.41Å; L115-L119 HydrophobicContact CD2-CD1 3.88Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.48Å; L115-L119 PolarHBondContact O-N 3.05Å
116	M	39.7	Very low	44.5	Very low	128 Å²	128	112.6 Å²	112.6	63%	0.631	53%	0.532	S	S	*	.	H	α-helix	trans	-64.3	-39.7	173.8	-73.6	-176.2	78.5	0	0	112.2	L112 K113 T114 L119 V120	L112-M116 WeakPolarHBondContact O-CB 3.41Å; L112-M116 VanDerWaalsContact O-CG 3.28Å; L112-M116 WeakPolarHBondContact O-CG 3.23Å; L112-M116 PolarHBondContact O-N 2.99Å; K113-M116 PolarHBondContact O-N 3.23Å; T114-M116 PolarHBondContact O-N 2.94Å; M116-L119 PolarHBondContact O-N 3.06Å; M116-V120 VanDerWaalsContact O-CG2 3.31Å; M116-V120 WeakPolarHBondContact O-CG2 3.43Å; M116-V120 PolarHBondContact O-N 3.39Å
117	E	47.8	Very low	44.5	Very low	94 Å²	94	111.6 Å²	111.6	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-65.1	-43.4	175.6	-75.4	177.6	-170.7	0	0	111.7	K113 T114 V120 K121	K113-E117 WeakPolarHBondContact CE-OE1 3.34Å; K113-E117 WeakPolarHBondContact O-CG 3.3Å; K113-E117 PolarHBondContact O-N 2.74Å; T114-E117 PolarHBondContact O-N 3.41Å; E117-V120 PolarHBondContact O-N 3.45Å; E117-K121 WeakPolarHBondContact O-CG 3.23Å; E117-K121 PolarHBondContact O-N 2.87Å
118	E	45.9	Very low	44.6	Very low	83 Å²	83	113.3 Å²	113.3	39%	0.388	55%	0.545	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174	-70.8	-53.4	133.4	0	0	111.5	T114 L115 V120 K121 I122	T114-E118 WeakPolarHBondContact O-CG 3.14Å; T114-E118 PolarHBondContact O-N 2.9Å; L115-E118 PolarHBondContact O-N 3.41Å; E118-V120 VanDerWaalsContact C-N 3.31Å; E118-V120 PolarHBondContact O-N 2.77Å; E118-K121 WeakPolarHBondContact O-CB 3.43Å; E118-K121 PolarHBondContact O-N 2.83Å; E118-K121 IonicContact OE1-NZ 2.68Å; E118-K121 PolarHBondContact OE1-NZ 3.08Å; E118-I122 VanDerWaalsContact O-CG1 3.26Å; E118-I122 WeakPolarHBondContact O-CG1 3.4Å; E118-I122 PolarHBondContact O-N 3.17Å
119	L	41.6	Very low	44.7	Very low	100 Å²	100	111.6 Å²	111.6	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-61.5	-38.3	173.4	-74.3	171.6	0	0	0	112.4	L115 M116 R123	L115-L119 HydrophobicContact CD2-CD1 3.88Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 VanDerWaalsContact O-CG 3.26Å; L115-L119 WeakPolarHBondContact O-CG 3.48Å; L115-L119 PolarHBondContact O-N 3.05Å; M116-L119 PolarHBondContact O-N 3.06Å; L119-R123 WeakPolarHBondContact O-CB 3.3Å; L119-R123 PolarHBondContact O-N 3.43Å
120	V	43.7	Very low	45.1	Very low	65 Å²	65	110.2 Å²	110.2	39%	0.394	54%	0.535	S	S	.	.	H	α-helix	trans	-67.7	-40.7	174.1	170	0	0	0	0	111.1	M116 E117 E118 R123 R124	M116-V120 VanDerWaalsContact O-CG2 3.31Å; M116-V120 WeakPolarHBondContact O-CG2 3.43Å; M116-V120 PolarHBondContact O-N 3.39Å; E117-V120 PolarHBondContact O-N 3.45Å; E118-V120 VanDerWaalsContact C-N 3.31Å; E118-V120 PolarHBondContact O-N 2.77Å; V120-R123 PolarHBondContact O-N 3.49Å; V120-R124 HydrophobicContact CG1-CG 4.37Å; V120-R124 WeakPolarHBondContact O-CB 3.31Å; V120-R124 WeakPolarHBondContact O-CG 3.35Å; V120-R124 PolarHBondContact O-N 3.45Å
121	K	49.3	Very low	45.1	Very low	111 Å²	111	107.3 Å²	107.3	48%	0.483	54%	0.539	S	S	.	.	H	α-helix	trans	-60.7	-47.2	173.9	-73.5	174	-170.7	168.6	0	110.8	E117 E118 R123 R124 F125	E117-K121 WeakPolarHBondContact O-CG 3.23Å; E117-K121 PolarHBondContact O-N 2.87Å; E118-K121 WeakPolarHBondContact O-CB 3.43Å; E118-K121 PolarHBondContact O-N 2.83Å; E118-K121 IonicContact OE1-NZ 2.68Å; E118-K121 PolarHBondContact OE1-NZ 3.08Å; K121-R123 VanDerWaalsContact C-N 3.32Å; K121-R123 PolarHBondContact O-N 3.01Å; K121-R124 PolarHBondContact O-N 2.9Å; K121-F125 VanDerWaalsContact O-CB 3.22Å; K121-F125 WeakPolarHBondContact O-CB 3.28Å; K121-F125 PolarHBondContact O-N 3.28Å
122	I	45.8	Very low	45.2	Very low	96 Å²	96	103.6 Å²	103.6	49%	0.492	54%	0.538	S	S	.	.	H	α-helix	trans	-59.3	-43.5	175.4	-67.4	165.2	0	0	0	110.3	E118 F125 R126	E118-I122 VanDerWaalsContact O-CG1 3.26Å; E118-I122 WeakPolarHBondContact O-CG1 3.4Å; E118-I122 PolarHBondContact O-N 3.17Å; I122-F125 PolarHBondContact O-N 2.87Å; I122-R126 WeakPolarHBondContact O-CB 3.39Å; I122-R126 PolarHBondContact O-N 3.5Å
123	R	46.1	Very low	45.2	Very low	196 Å²	196	105.5 Å²	105.5	74%	0.74	55%	0.549	S	S	*	.	H	α-helix	trans	-65.6	-41.1	177.4	-173.9	178.4	176.9	177	-0.2	112.7	L119 V120 K121 R126 A127	L119-R123 WeakPolarHBondContact O-CB 3.3Å; L119-R123 PolarHBondContact O-N 3.43Å; V120-R123 PolarHBondContact O-N 3.49Å; K121-R123 VanDerWaalsContact C-N 3.32Å; K121-R123 PolarHBondContact O-N 3.01Å; R123-R126 PolarHBondContact O-N 2.97Å; R123-A127 WeakPolarHBondContact O-CB 3.39Å; R123-A127 PolarHBondContact O-N 2.76Å
124	R	48.6	Very low	44.9	Very low	182 Å²	182	106 Å²	106	69%	0.687	56%	0.557	S	S	*	*	H	α-helix	trans	-68.6	-39.2	175.6	-74.9	-179.3	-176.6	168.7	2.9	111.5	V120 K121 A127 S128	V120-R124 HydrophobicContact CG1-CG 4.37Å; V120-R124 WeakPolarHBondContact O-CB 3.31Å; V120-R124 WeakPolarHBondContact O-CG 3.35Å; V120-R124 PolarHBondContact O-N 3.45Å; K121-R124 PolarHBondContact O-N 2.9Å; R124-A127 CarbonylContact O-C 3.59Å; R124-A127 PolarHBondContact O-N 3.14Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 3.31Å
125	F	41	Very low	44.4	Very low	123 Å²	123	109.3 Å²	109.3	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-62.1	-46.4	173.5	-176.6	-109	0	0	0	110.6	K121 I122 A127 S128 I129	K121-F125 VanDerWaalsContact O-CB 3.22Å; K121-F125 WeakPolarHBondContact O-CB 3.28Å; K121-F125 PolarHBondContact O-N 3.28Å; I122-F125 PolarHBondContact O-N 2.87Å; F125-A127 VanDerWaalsContact C-N 3.34Å; F125-A127 PolarHBondContact O-N 3.05Å; F125-S128 PolarHBondContact O-N 2.97Å; F125-S128 VanDerWaalsContact O-N 3.16Å; F125-I129 HydrophobicContact CD1-CD1 3.65Å; F125-I129 HydrophobicContact CD2-CD1 4.46Å; F125-I129 HydrophobicContact CE1-CD1 3.26Å; F125-I129 HydrophobicContact CE1-CG1 4.38Å; F125-I129 HydrophobicContact CE2-CD1 4.13Å; F125-I129 HydrophobicContact CG-CD1 4.24Å; F125-I129 HydrophobicContact CZ-CD1 3.54Å; F125-I129 HydrophobicContact CZ-CG1 4.35Å; F125-I129 WeakPolarHBondContact O-CG1 3.28Å; F125-I129 PolarHBondContact O-N 2.72Å
126	R	45.1	Very low	44.3	Very low	172 Å²	172	109.3 Å²	109.3	65%	0.649	59%	0.586	S	S	*	*	H	α-helix	trans	-55.7	-46.5	170.8	-175.2	-177	177.3	-164.4	0.2	111.7	I122 R123 I129 V130	I122-R126 WeakPolarHBondContact O-CB 3.39Å; I122-R126 PolarHBondContact O-N 3.5Å; R123-R126 PolarHBondContact O-N 2.97Å; R126-I129 PolarHBondContact O-N 3.31Å; R126-V130 HydrophobicContact CG-CG2 4.5Å; R126-V130 WeakPolarHBondContact O-CB 3.37Å; R126-V130 WeakPolarHBondContact O-CG2 3.28Å; R126-V130 PolarHBondContact O-N 3.2Å
127	A	45.8	Very low	44.2	Very low	62 Å²	62	107.9 Å²	107.9	51%	0.512	59%	0.589	S	S	.	*	H	α-helix	trans	-66	-35.7	177.7	0	0	0	0	0	112.7	R123 R124 F125 G131	R123-A127 WeakPolarHBondContact O-CB 3.39Å; R123-A127 PolarHBondContact O-N 2.76Å; R124-A127 CarbonylContact O-C 3.59Å; R124-A127 PolarHBondContact O-N 3.14Å; F125-A127 VanDerWaalsContact C-N 3.34Å; F125-A127 PolarHBondContact O-N 3.05Å; A127-G131 PolarHBondContact O-N 3.37Å
128	S	45.6	Very low	44	Very low	84 Å²	84	109.1 Å²	109.1	59%	0.587	61%	0.608	S	S	*	*	H	α-helix	trans	-69.8	-36.5	176.8	-176.3	0	0	0	0	112.3	R124 F125 G132	R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 3.31Å; F125-S128 PolarHBondContact O-N 2.97Å; F125-S128 VanDerWaalsContact O-N 3.16Å; S128-G132 PolarHBondContact O-N 2.97Å
129	I	45.8	Very low	43.9	Very low	60 Å²	60	107.8 Å²	107.8	31%	0.308	61%	0.611	S	S	.	*	H	α-helix	trans	-72.2	-43.2	175	-62.3	167.9	0	0	0	109.9	F125 R126 G131 G132 W147	F125-I129 HydrophobicContact CD1-CD1 3.65Å; F125-I129 HydrophobicContact CD2-CD1 4.46Å; F125-I129 HydrophobicContact CE1-CD1 3.26Å; F125-I129 HydrophobicContact CE1-CG1 4.38Å; F125-I129 HydrophobicContact CE2-CD1 4.13Å; F125-I129 HydrophobicContact CG-CD1 4.24Å; F125-I129 HydrophobicContact CZ-CD1 3.54Å; F125-I129 HydrophobicContact CZ-CG1 4.35Å; F125-I129 WeakPolarHBondContact O-CG1 3.28Å; F125-I129 PolarHBondContact O-N 2.72Å; R126-I129 PolarHBondContact O-N 3.31Å; I129-G131 VanDerWaalsContact C-N 3.31Å; I129-G131 PolarHBondContact O-N 2.9Å; I129-G132 PolarHBondContact O-N 3.02Å; I129-W147 HydrophobicContact CB-CZ2 4.3Å; I129-W147 HydrophobicContact CG2-CZ2 3.48Å; I129-W147 VanDerWaalsContact CG2-CZ2 3.48Å
130	V	51.4	Low	44	Very low	94 Å²	94	107.7 Å²	107.7	57%	0.57	61%	0.611	S	S	*	*	H	α-helix	trans	-67.7	-30.9	177.9	173.1	0	0	0	0	111.9	R126 W147	R126-V130 HydrophobicContact CG-CG2 4.5Å; R126-V130 WeakPolarHBondContact O-CB 3.37Å; R126-V130 WeakPolarHBondContact O-CG2 3.28Å; R126-V130 PolarHBondContact O-N 3.2Å; V130-W147 HydrophobicContact CG2-CH2 4.45Å
131	G	46.8	Very low	44	Very low	69 Å²	69	108.7 Å²	108.7	71%	0.711	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-5.1	176.6	0	0	0	0	0	115.4	A127 I129	A127-G131 PolarHBondContact O-N 3.37Å; I129-G131 VanDerWaalsContact C-N 3.31Å; I129-G131 PolarHBondContact O-N 2.9Å
132	G	45.3	Very low	43.4	Very low	60 Å²	60	106.8 Å²	106.8	62%	0.619	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	18.9	179.8	0	0	0	0	0	114	S128 I129 D134	S128-G132 PolarHBondContact O-N 2.97Å; I129-G132 PolarHBondContact O-N 3.02Å; G132-D134 PolarHBondContact O-N 2.87Å
133	N	40.3	Very low	43.1	Very low	137 Å²	137	108.1 Å²	108.1	73%	0.733	62%	0.624	S	S	*	*			trans	-86.8	87.8	-178.8	-142.7	35.5	0	0	0	108.8
134	D	37.5	Very low	42.9	Very low	140 Å²	140	103.4 Å²	103.4	75%	0.749	62%	0.617	S	S	*	*			trans	173.4	102.9	146.8	-86.4	-25.1	0	0	0	107.9	G132	G132-D134 PolarHBondContact O-N 2.87Å
135	T	37.6	Very low	42.6	Very low	136 Å²	136	99.1 Å²	99.1	83%	0.834	61%	0.607	S	S	*	*			trans	145.6	125.3	142.8	50.4	0	0	0	0	113.6
136	S	40	Very low	42.9	Very low	103 Å²	103	98.3 Å²	98.3	72%	0.72	61%	0.606	S	S	*	*			trans	72	88.5	155.7	67.2	0	0	0	0	119.5
137	S	37.3	Very low	43.1	Very low	99 Å²	99	95 Å²	95	69%	0.692	59%	0.594	S	S	*	*				52	121.6	115.1	69.3	0	0	0	0	119.4
138	S	43.6	Very low	43.3	Very low	119 Å²	119	94.8 Å²	94.8	83%	0.832	59%	0.588	S	S	*	*	S	Bend	trans	91.2	-2.5	158.4	129.3	0	0	0	0	118.7
139	A	43.2	Very low	43.4	Very low	56 Å²	56	96.4 Å²	96.4	46%	0.463	59%	0.586	S	S	.	*			trans	-98.9	6.4	169.9	0	0	0	0	0	113.6	S141 S142	A139-S141 PolarHBondContact O-N 3.08Å; A139-S142 PolarHBondContact O-N 3.17Å
140	D	43.3	Very low	43.6	Very low	98 Å²	98	97.3 Å²	97.3	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-69.3	-23.6	-164.7	-71.9	-41.7	0	0	0	114.8	V144	D140-V144 VanDerWaalsContact O-CB 3.26Å; D140-V144 WeakPolarHBondContact O-CB 3.32Å; D140-V144 WeakPolarHBondContact O-CG2 3.49Å; D140-V144 PolarHBondContact O-N 3.28Å
141	S	44	Very low	43.7	Very low	85 Å²	85	96.9 Å²	96.9	59%	0.594	59%	0.586	S	S	*	*	H	α-helix	trans	-70.3	-43.6	178.6	65.8	0	0	0	0	112.5	A139 K143 V144 I145	A139-S141 PolarHBondContact O-N 3.08Å; S141-K143 PolarHBondContact O-N 3.27Å; S141-V144 PolarHBondContact O-N 3.3Å; S141-I145 WeakPolarHBondContact O-CB 3.13Å; S141-I145 WeakPolarHBondContact O-CD1 3.45Å; S141-I145 WeakPolarHBondContact O-CG1 3.49Å; S141-I145 PolarHBondContact O-N 2.97Å
142	S	37.6	Very low	44.1	Very low	72 Å²	72	97.8 Å²	97.8	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-67.7	-38	-179.7	172.4	0	0	0	0	111.7	A139 M146	A139-S142 PolarHBondContact O-N 3.17Å; S142-M146 WeakPolarHBondContact O-CB 3.44Å; S142-M146 PolarHBondContact O-N 3.21Å
143	K	38.6	Very low	44.2	Very low	123 Å²	123	100.2 Å²	100.2	54%	0.535	57%	0.572	S	S	.	*	H	α-helix	trans	-67.8	-43.7	174.9	-72	-177.8	179	177.8	0	111.4	S141 M146 W147	S141-K143 PolarHBondContact O-N 3.27Å; K143-M146 HydrophobicContact CG-CE 4.44Å; K143-M146 PolarHBondContact O-N 3.15Å; K143-W147 WeakPolarHBondContact O-CB 3.47Å; K143-W147 PolarHBondContact O-N 3.21Å
144	V	43.3	Very low	44.9	Very low	98 Å²	98	96.8 Å²	96.8	59%	0.594	56%	0.556	S	S	*	*	H	α-helix	trans	-63.7	-41	176.7	170.9	0	0	0	0	111.7	D140 S141 W147 S148	D140-V144 VanDerWaalsContact O-CB 3.26Å; D140-V144 WeakPolarHBondContact O-CB 3.32Å; D140-V144 WeakPolarHBondContact O-CG2 3.49Å; D140-V144 PolarHBondContact O-N 3.28Å; S141-V144 PolarHBondContact O-N 3.3Å; V144-W147 PolarHBondContact O-N 2.82Å; V144-S148 PolarHBondContact O-N 3.3Å
145	I	41.3	Very low	45.8	Very low	92 Å²	92	92.7 Å²	92.7	47%	0.472	53%	0.534	S	S	.	.	H	α-helix	trans	-65.4	-44.9	176.5	-69.5	164.1	0	0	0	111	S141 W147 S148 H149	S141-I145 WeakPolarHBondContact O-CB 3.13Å; S141-I145 WeakPolarHBondContact O-CD1 3.45Å; S141-I145 WeakPolarHBondContact O-CG1 3.49Å; S141-I145 PolarHBondContact O-N 2.97Å; I145-W147 VanDerWaalsContact C-N 3.32Å; I145-W147 PolarHBondContact O-N 3.5Å; I145-S148 PolarHBondContact O-N 3.48Å; I145-H149 PolarHBondContact O-CD2 3.11Å; I145-H149 PolarHBondContact O-N 3.3Å
146	M	47.2	Very low	46.4	Very low	105 Å²	105	88.4 Å²	88.4	52%	0.517	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-40.7	174.2	-85.4	-166.7	-51.9	0	0	112.3	S142 K143 H149 L150	S142-M146 WeakPolarHBondContact O-CB 3.44Å; S142-M146 PolarHBondContact O-N 3.21Å; K143-M146 HydrophobicContact CG-CE 4.44Å; K143-M146 PolarHBondContact O-N 3.15Å; M146-H149 PolarHBondContact O-N 3.3Å; M146-L150 WeakPolarHBondContact O-CB 3.13Å; M146-L150 PolarHBondContact O-N 3.21Å
147	W	49.9	Very low	46.6	Very low	104 Å²	104	87.1 Å²	87.1	39%	0.394	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-40.6	176.5	-92.3	109.2	0	0	0	112.4	I129 V130 K143 V144 I145 N151	I129-W147 HydrophobicContact CB-CZ2 4.3Å; I129-W147 HydrophobicContact CG2-CZ2 3.48Å; I129-W147 VanDerWaalsContact CG2-CZ2 3.48Å; V130-W147 HydrophobicContact CG2-CH2 4.45Å; K143-W147 WeakPolarHBondContact O-CB 3.47Å; K143-W147 PolarHBondContact O-N 3.21Å; V144-W147 PolarHBondContact O-N 2.82Å; I145-W147 VanDerWaalsContact C-N 3.32Å; I145-W147 PolarHBondContact O-N 3.5Å; W147-N151 WeakPolarHBondContact O-CB 3.38Å; W147-N151 PolarHBondContact O-N 3.09Å; W147-N151 PolarHBondContact O-ND2 2.82Å
148	S	50.6	Low	47.1	Very low	57 Å²	57	85.5 Å²	85.5	40%	0.399	48%	0.48	S	S	.	.	H	α-helix	trans	-60	-51.9	172.6	146.8	0	0	0	0	111.1	V144 I145 L150 N151 D152	V144-S148 PolarHBondContact O-N 3.3Å; I145-S148 PolarHBondContact O-N 3.48Å; S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 PolarHBondContact O-N 3.06Å; S148-N151 PolarHBondContact O-N 3.15Å; S148-D152 PolarHBondContact O-N 3.47Å
149	H	47.1	Very low	47.5	Very low	118 Å²	118	84.2 Å²	84.2	55%	0.546	47%	0.468	S	S	.	.	H	α-helix	trans	-63.8	-35.4	-179	-70.8	-56.2	0	0	0	113.2	I145 M146 D152 L153	I145-H149 PolarHBondContact O-CD2 3.11Å; I145-H149 PolarHBondContact O-N 3.3Å; M146-H149 PolarHBondContact O-N 3.3Å; H149-D152 PolarHBondContact O-N 2.77Å; H149-L153 WeakPolarHBondContact O-CB 3.22Å; H149-L153 PolarHBondContact O-N 3.35Å
150	L	48.9	Very low	47.5	Very low	78 Å²	78	88.7 Å²	88.7	41%	0.408	48%	0.479	S	S	.	.	H	α-helix	trans	-67.3	-41.7	174.7	-106.5	144.6	0	0	0	111.9	M146 S148 L153 V154	M146-L150 WeakPolarHBondContact O-CB 3.13Å; M146-L150 PolarHBondContact O-N 3.21Å; S148-L150 VanDerWaalsContact C-N 3.31Å; S148-L150 PolarHBondContact O-N 3.06Å; L150-L153 PolarHBondContact O-N 3.36Å; L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 3.48Å; L150-V154 PolarHBondContact O-N 3.34Å
151	N	54.2	Low	47.4	Very low	86 Å²	86	88.4 Å²	88.4	46%	0.46	47%	0.474	S	S	.	.	H	α-helix	trans	-65.3	-39.9	174.4	-77.6	-22.6	0	0	0	111.5	W147 S148 L153 V154 D155	W147-N151 WeakPolarHBondContact O-CB 3.38Å; W147-N151 PolarHBondContact O-N 3.09Å; W147-N151 PolarHBondContact O-ND2 2.82Å; S148-N151 PolarHBondContact O-N 3.15Å; N151-L153 VanDerWaalsContact C-N 3.3Å; N151-L153 PolarHBondContact O-N 3.46Å; N151-V154 PolarHBondContact O-N 2.74Å; N151-D155 VanDerWaalsContact O-CB 3.28Å; N151-D155 WeakPolarHBondContact O-CB 3.35Å; N151-D155 PolarHBondContact O-N 2.88Å
152	D	55.8	Low	47	Very low	87 Å²	87	90.6 Å²	90.6	47%	0.465	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-39.8	175.9	-66.2	-28	0	0	0	111.4	S148 H149 A156	S148-D152 PolarHBondContact O-N 3.47Å; H149-D152 PolarHBondContact O-N 2.77Å; D152-A156 VanDerWaalsContact O-CB 3.26Å; D152-A156 WeakPolarHBondContact O-CB 3.11Å; D152-A156 PolarHBondContact O-N 3.49Å
153	L	47.3	Very low	47.3	Very low	111 Å²	111	92.2 Å²	92.2	58%	0.581	49%	0.485	S	S	*	.	H	α-helix	trans	-69.9	-41.5	178.4	-155.5	110.3	0	0	0	111.8	H149 L150 N151 A156 I157	H149-L153 WeakPolarHBondContact O-CB 3.22Å; H149-L153 PolarHBondContact O-N 3.35Å; L150-L153 PolarHBondContact O-N 3.36Å; N151-L153 VanDerWaalsContact C-N 3.3Å; N151-L153 PolarHBondContact O-N 3.46Å; L153-A156 PolarHBondContact O-N 3.27Å; L153-I157 HydrophobicContact CD2-CD1 3.96Å; L153-I157 HydrophobicContact CG-CD1 4.46Å; L153-I157 WeakPolarHBondContact O-CD1 3.37Å; L153-I157 VanDerWaalsContact O-CG1 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.23Å
154	V	54.7	Low	47.5	Very low	66 Å²	66	91.3 Å²	91.3	40%	0.4	49%	0.492	S	S	.	.	H	α-helix	trans	-66.4	-44.3	175.1	171.4	0	0	0	0	110.6	L150 N151 A156 I157 D158	L150-V154 VanDerWaalsContact O-CG2 3.3Å; L150-V154 WeakPolarHBondContact O-CG2 3.48Å; L150-V154 PolarHBondContact O-N 3.34Å; N151-V154 PolarHBondContact O-N 2.74Å; V154-A156 VanDerWaalsContact C-N 3.29Å; V154-A156 PolarHBondContact O-N 3.25Å; V154-I157 PolarHBondContact O-N 2.99Å; V154-D158 WeakPolarHBondContact O-CB 3.37Å; V154-D158 PolarHBondContact O-N 2.99Å
155	D	55.4	Low	47.3	Very low	53 Å²	53	96.8 Å²	96.8	28%	0.283	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-39.1	175.1	-88.7	2.9	0	0	0	110.8	N151 T159 R167	N151-D155 VanDerWaalsContact O-CB 3.28Å; N151-D155 WeakPolarHBondContact O-CB 3.35Å; N151-D155 PolarHBondContact O-N 2.88Å; D155-T159 WeakPolarHBondContact O-CB 3.4Å; D155-T159 PolarHBondContact O-N 2.94Å; D155-T159 PolarHBondContact O-OG1 3.45Å; D155-R167 IonicContact OD2-CZ 2.65Å; D155-R167 IonicContact OD2-NE 2.72Å; D155-R167 PolarHBondContact OD2-NE 3.14Å; D155-R167 IonicContact OD2-NH2 2.81Å; D155-R167 PolarHBondContact OD2-NH2 3.02Å
156	A	50.3	Low	47.3	Very low	46 Å²	46	98.2 Å²	98.2	38%	0.38	52%	0.517	S	S	.	.	H	α-helix	trans	-64	-44.8	175.6	0	0	0	0	0	111.9	D152 L153 V154 Q160	D152-A156 VanDerWaalsContact O-CB 3.26Å; D152-A156 WeakPolarHBondContact O-CB 3.11Å; D152-A156 PolarHBondContact O-N 3.49Å; L153-A156 PolarHBondContact O-N 3.27Å; V154-A156 VanDerWaalsContact C-N 3.29Å; V154-A156 PolarHBondContact O-N 3.25Å; A156-Q160 VanDerWaalsContact O-CB 3.22Å; A156-Q160 WeakPolarHBondContact O-CB 3.36Å; A156-Q160 VanDerWaalsContact O-CG 3.29Å; A156-Q160 WeakPolarHBondContact O-CG 3.36Å; A156-Q160 PolarHBondContact O-N 3.3Å
157	I	45.8	Very low	47.1	Very low	76 Å²	76	103 Å²	103	39%	0.39	53%	0.529	S	S	.	.	H	α-helix	trans	-65.9	-46.5	177.2	-69.8	166.6	0	0	0	110.7	L153 V154 T159 Q160 H161	L153-I157 HydrophobicContact CD2-CD1 3.96Å; L153-I157 HydrophobicContact CG-CD1 4.46Å; L153-I157 WeakPolarHBondContact O-CD1 3.37Å; L153-I157 VanDerWaalsContact O-CG1 3.24Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.23Å; V154-I157 PolarHBondContact O-N 2.99Å; I157-T159 VanDerWaalsContact C-N 3.34Å; I157-T159 PolarHBondContact O-N 3.45Å; I157-Q160 PolarHBondContact O-N 3.37Å; I157-H161 WeakPolarHBondContact O-CB 3.38Å; I157-H161 PolarHBondContact O-N 3.04Å
158	D	47.6	Very low	46.4	Very low	65 Å²	65	105.4 Å²	105.4	35%	0.348	55%	0.547	S	S	.	.	H	α-helix	trans	-65.3	-37.3	178.9	-92.5	0.4	0	0	0	111.3	V154 F162	V154-D158 WeakPolarHBondContact O-CB 3.37Å; V154-D158 PolarHBondContact O-N 2.99Å; D158-F162 CarbonylContact O-C 3.6Å; D158-F162 VanDerWaalsContact O-C 3.23Å; D158-F162 WeakPolarHBondContact O-CA 3.31Å; D158-F162 WeakPolarHBondContact O-CB 3.32Å; D158-F162 PolarHBondContact O-N 3.35Å; D158-F162 VanDerWaalsContact O-N 3.07Å
159	T	51.5	Low	46.3	Very low	93 Å²	93	107.6 Å²	107.6	57%	0.571	57%	0.568	S	S	*	*	H	α-helix	trans	-75.8	-34.4	178	-54	0	0	0	0	112.5	D155 I157	D155-T159 WeakPolarHBondContact O-CB 3.4Å; D155-T159 PolarHBondContact O-N 2.94Å; D155-T159 PolarHBondContact O-OG1 3.45Å; I157-T159 VanDerWaalsContact C-N 3.34Å; I157-T159 PolarHBondContact O-N 3.45Å
160	Q	44.2	Very low	46	Very low	150 Å²	150	115.4 Å²	115.4	70%	0.701	59%	0.594	S	S	*	*	H	α-helix	trans	-82	-34.5	-179	-77.6	-176	-5.8	0	0	113.5	A156 I157	A156-Q160 VanDerWaalsContact O-CB 3.22Å; A156-Q160 WeakPolarHBondContact O-CB 3.36Å; A156-Q160 VanDerWaalsContact O-CG 3.29Å; A156-Q160 WeakPolarHBondContact O-CG 3.36Å; A156-Q160 PolarHBondContact O-N 3.3Å; I157-Q160 PolarHBondContact O-N 3.37Å
161	H	40.4	Very low	45.8	Very low	91 Å²	91	117.3 Å²	117.3	42%	0.421	60%	0.604	S	S	.	*	H	α-helix	trans	-111.3	-20.2	-171.3	-63.5	-55.3	0	0	0	114.1	I157	I157-H161 WeakPolarHBondContact O-CB 3.38Å; I157-H161 PolarHBondContact O-N 3.04Å
162	F	36.1	Very low	45.4	Very low	131 Å²	131	118.9 Å²	118.9	58%	0.575	61%	0.611	S	S	*	*	S	Bend	trans	-125.1	149.6	-179.4	-56.6	-76.4	0	0	0	109.2	D158	D158-F162 CarbonylContact O-C 3.6Å; D158-F162 VanDerWaalsContact O-C 3.23Å; D158-F162 WeakPolarHBondContact O-CA 3.31Å; D158-F162 WeakPolarHBondContact O-CB 3.32Å; D158-F162 PolarHBondContact O-N 3.35Å; D158-F162 VanDerWaalsContact O-N 3.07Å
163	S	43	Very low	44.8	Very low	107 Å²	107	120.7 Å²	120.7	75%	0.748	62%	0.619	S	S	*	*			trans	-59.8	138.7	177.1	-64	0	0	0	0	109.3	R165	S163-R165 PolarHBondContact O-N 3.37Å
164	P	43.1	Very low	44.7	Very low	103 Å²	103	121.2 Å²	121.2	67%	0.669	62%	0.622	S	S	*	*			trans	-57.3	111.5	-171.2	21.7	-32.1	0	0	0	109.8
165	R	39.7	Very low	44	Very low	214 Å²	214	124.7 Å²	124.7	81%	0.808	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-74.5	135.2	170	-75.8	-174.8	178	-171	1.1	107.9	S163 R167	S163-R165 PolarHBondContact O-N 3.37Å; R165-R167 PolarHBondContact O-N 3.18Å
166	P	41.1	Very low	43.3	Very low	121 Å²	121	129.5 Å²	129.5	79%	0.786	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-60	129.8	175	22.8	-30	0	0	0	109.6	M168	P166-M168 PolarHBondContact O-N 3.09Å
167	R	42.8	Very low	42.8	Very low	205 Å²	205	135.4 Å²	135.4	77%	0.774	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.9	124	174.6	-82.5	-177.1	170.8	175.1	-3.2	109.1	D155 R165 A169	D155-R167 IonicContact OD2-CZ 2.65Å; D155-R167 IonicContact OD2-NE 2.72Å; D155-R167 PolarHBondContact OD2-NE 3.14Å; D155-R167 IonicContact OD2-NH2 2.81Å; D155-R167 PolarHBondContact OD2-NH2 3.02Å; R165-R167 PolarHBondContact O-N 3.18Å; R167-A169 PolarHBondContact O-N 3.36Å
168	M	35.7	Very low	42.5	Very low	156 Å²	156	140 Å²	140	77%	0.768	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-73.3	120.7	167	-66.5	-128.4	-161.2	0	0	108	P166 Y170	P166-M168 PolarHBondContact O-N 3.09Å; M168-Y170 HydrophobicContact CB-CE2 4.18Å
169	A	47.5	Very low	42.1	Very low	102 Å²	102	146.3 Å²	146.3	84%	0.843	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-69.4	129.2	169.2	0	0	0	0	0	109	R167	R167-A169 PolarHBondContact O-N 3.36Å
170	Y	40.4	Very low	41.3	Very low	282 Å²	282	151.1 Å²	151.1	100%	1.106	75%	0.745	S	S	*	*			trans	-121.4	0	164.2	-78	-76.1	0	0	0	108.5	M168	M168-Y170 HydrophobicContact CB-CE2 4.18Å

Retrieved 170 of 170 residues in 164.5 ms (Link to these results)

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