A0A077ZKN1_TRITR Loading...

Ubiquitin interaction motif family protein

AlphaFold DB , UniProt , Accession A0A077ZKN1, 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	21.3	Very low	24.7	Very low	242 Å²	242	142.5 Å²	142.5	100%	1.192	68%	0.681	S	S	*	*				0	105.8	0	-83.8	-178.2	-65.6	0	0	108.2
2	I	23.2	Very low	24.9	Very low	97 Å²	97	135.7 Å²	135.7	50%	0.497	66%	0.655	S	S	.	*			trans	-72.2	126.3	162.1	-64.7	171.6	0	0	0	105.6	K4 V43	I2-K4 PolarHBondContact O-N 2.9Å; I2-K4 VanDerWaalsContact O-N 3.07Å; I2-V43 HydrophobicContact CD1-CG2 4.08Å
3	N	20.8	Very low	25	Very low	99 Å²	99	128.3 Å²	128.3	53%	0.529	63%	0.63	S	S	.	*			trans	-65.8	108.9	-172.9	-162.2	-4.4	0	0	0	109.3	E5 L6	N3-E5 PolarHBondContact O-N 3.21Å; N3-E5 VanDerWaalsContact O-N 3.08Å; N3-L6 PolarHBondContact O-N 3.32Å
4	K	25.1	Very low	24.9	Very low	179 Å²	179	127.4 Å²	127.4	78%	0.778	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-62.3	-11.5	-179.9	-80.5	-176	174.7	-178.4	0	113	I2 L6 F7	I2-K4 PolarHBondContact O-N 2.9Å; I2-K4 VanDerWaalsContact O-N 3.07Å; K4-L6 VanDerWaalsContact C-N 3.27Å; K4-L6 PolarHBondContact O-N 3.02Å; K4-F7 WeakPolarHBondContact O-CD2 3.32Å; K4-F7 PolarHBondContact O-N 3.21Å
5	E	22.7	Very low	25	Very low	169 Å²	169	127.7 Å²	127.7	79%	0.79	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-70.8	-16.6	179.3	-68.6	-175.8	155	0	0	114.4	N3 F7	N3-E5 PolarHBondContact O-N 3.21Å; N3-E5 VanDerWaalsContact O-N 3.08Å; E5-F7 PolarHBondContact O-N 2.97Å
6	L	24.2	Very low	25.2	Very low	147 Å²	147	132.2 Å²	132.2	77%	0.77	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-77.4	-4	175.4	-94.4	157.7	0	0	0	113.9	N3 K4 D8	N3-L6 PolarHBondContact O-N 3.32Å; K4-L6 VanDerWaalsContact C-N 3.27Å; K4-L6 PolarHBondContact O-N 3.02Å; L6-D8 VanDerWaalsContact C-N 3.31Å; L6-D8 PolarHBondContact O-N 2.86Å
7	F	26.9	Very low	25.8	Very low	91 Å²	91	133.6 Å²	133.6	40%	0.399	64%	0.643	S	S	.	*			trans	-84.1	72	176.4	-69.9	-89.5	0	0	0	110.7	K4 E5 S9 T12 A19	K4-F7 WeakPolarHBondContact O-CD2 3.32Å; K4-F7 PolarHBondContact O-N 3.21Å; E5-F7 PolarHBondContact O-N 2.97Å; F7-S9 PolarHBondContact O-N 3.18Å; F7-S9 VanDerWaalsContact O-N 3.11Å; F7-T12 HydrophobicContact CD1-CG2 3.95Å; F7-T12 HydrophobicContact CE1-CG2 4.31Å; F7-A19 HydrophobicContact CE1-CB 4.44Å
8	D	26.6	Very low	26.4	Very low	87 Å²	87	128.4 Å²	128.4	47%	0.465	62%	0.623	S	S	.	*			trans	-62.5	111.5	157.5	-169.4	-26.1	0	0	0	106.2	L6 R10	L6-D8 VanDerWaalsContact C-N 3.31Å; L6-D8 PolarHBondContact O-N 2.86Å; D8-R10 PolarHBondContact O-N 3.02Å; D8-R10 IonicContact OD1-CZ 3.59Å; D8-R10 IonicContact OD1-NE 3.52Å; D8-R10 PolarHBondContact OD1-NE 2.6Å; D8-R10 IonicContact OD1-NH2 2.83Å; D8-R10 IonicContact OD2-CZ 3.15Å; D8-R10 IonicContact OD2-NE 3.64Å; D8-R10 IonicContact OD2-NH2 2.78Å; D8-R10 PolarHBondContact OD2-NH2 3.31Å
9	S	26.4	Very low	27.1	Very low	98 Å²	98	122.6 Å²	122.6	69%	0.685	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	5.4	-168.5	55.2	0	0	0	0	114.9	F7	F7-S9 PolarHBondContact O-N 3.18Å; F7-S9 VanDerWaalsContact O-N 3.11Å
10	R	26.1	Very low	27.9	Very low	188 Å²	188	118.5 Å²	118.5	71%	0.709	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-9.8	-178.1	-72.2	-176.7	-83.6	-179	-2.6	115	D8	D8-R10 PolarHBondContact O-N 3.02Å; D8-R10 IonicContact OD1-CZ 3.59Å; D8-R10 IonicContact OD1-NE 3.52Å; D8-R10 PolarHBondContact OD1-NE 2.6Å; D8-R10 IonicContact OD1-NH2 2.83Å; D8-R10 IonicContact OD2-CZ 3.15Å; D8-R10 IonicContact OD2-NE 3.64Å; D8-R10 IonicContact OD2-NH2 2.78Å; D8-R10 PolarHBondContact OD2-NH2 3.31Å
11	Y	28.6	Very low	28.6	Very low	171 Å²	171	115.1 Å²	115.1	67%	0.671	56%	0.562	S	S	*	*	S	Bend	trans	-129.2	10.1	-176.9	-62.9	-73.7	0	0	0	115.6	A13	Y11-A13 PolarHBondContact O-N 2.89Å
12	T	27.3	Very low	29.4	Very low	60 Å²	60	107.4 Å²	107.4	37%	0.368	53%	0.525	S	S	.	.			trans	-87.6	90.9	178.7	16.5	0	0	0	0	110.7	F7 T14 A19	F7-T12 HydrophobicContact CD1-CG2 3.95Å; F7-T12 HydrophobicContact CE1-CG2 4.31Å; T12-T14 PolarHBondContact O-N 3.47Å; T12-A19 HydrophobicContact CG2-CB 4.26Å
13	A	26.3	Very low	30.5	Very low	40 Å²	40	108.5 Å²	108.5	33%	0.331	53%	0.528	S	S	.	.			trans	-83.4	103.8	164.6	0	0	0	0	0	108.8	Y11 Y15 Y20	Y11-A13 PolarHBondContact O-N 2.89Å; A13-Y15 PolarHBondContact O-N 3.36Å; A13-Y20 HydrophobicContact CB-CE1 4.06Å
14	T	23.5	Very low	32	Very low	116 Å²	116	110.8 Å²	110.8	71%	0.712	54%	0.54	S	S	*	.			trans	-79.5	100.4	-177.1	-21.9	0	0	0	0	110	T12	T12-T14 PolarHBondContact O-N 3.47Å
15	Y	25.4	Very low	33.1	Very low	131 Å²	131	104.9 Å²	104.9	51%	0.514	53%	0.53	S	S	.	.	B	Isolated β-bridge	trans	-125.6	106.8	161.3	-130.1	-92.7	0	0	0	108	A13 S18 E69	A13-Y15 PolarHBondContact O-N 3.36Å; Y15-S18 PolarHBondContact O-OG 3.22Å; Y15-E69 WeakPolarHBondContact CD1-OE2 3.2Å; Y15-E69 WeakPolarHBondContact CE1-OE2 3.31Å
16	Y	28.4	Very low	34.3	Very low	200 Å²	200	98.5 Å²	98.5	78%	0.784	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.4	66.9	-176.6	-70.9	-83.5	0	0	0	114.6	S18	Y16-S18 PolarHBondContact O-N 2.79Å
17	E	36.5	Very low	35.5	Very low	157 Å²	157	92.4 Å²	92.4	73%	0.734	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	9	172.2	-66.7	-173.4	171.1	0	0	116.9	P32	E17-P32 HydrophobicContact CB-CG 3.47Å; E17-P32 VanDerWaalsContact CB-CG 3.47Å; E17-P32 WeakPolarHBondContact O-CD 3.11Å
18	S	36.6	Very low	36.5	Very low	40 Å²	40	89 Å²	89	28%	0.28	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-83.8	129.4	164.3	65.8	0	0	0	0	108.8	Y15 Y16 Y30	Y15-S18 PolarHBondContact O-OG 3.22Å; Y16-S18 PolarHBondContact O-N 2.79Å; S18-Y30 CarbonylContact C-O 3.44Å; S18-Y30 WeakPolarHBondContact CA-O 3.37Å; S18-Y30 WeakPolarHBondContact CB-O 3.26Å
19	A	38.2	Very low	37.5	Very low	18 Å²	18	85.6 Å²	85.6	15%	0.149	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	157.7	175	0	0	0	0	0	108	F7 T12 Y30	F7-A19 HydrophobicContact CE1-CB 4.44Å; T12-A19 HydrophobicContact CG2-CB 4.26Å; A19-Y30 HydrophobicContact CB-CD2 4.35Å; A19-Y30 PolarHBondContact N-O 3.12Å; A19-Y30 WeakPolarHBondContact O-CA 3.39Å; A19-Y30 WeakPolarHBondContact O-CB 3.33Å; A19-Y30 WeakPolarHBondContact O-CD2 3.36Å; A19-Y30 PolarHBondContact O-N 2.81Å
20	Y	43.3	Very low	38.4	Very low	40 Å²	40	82.9 Å²	82.9	16%	0.157	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.9	168.6	63.8	-92.5	0	0	0	110.2	A13 L27 T28 L74	A13-Y20 HydrophobicContact CB-CE1 4.06Å; Y20-L27 HydrophobicContact CD2-CD1 4.17Å; Y20-L27 HydrophobicContact CG-CD1 4.43Å; Y20-T28 CarbonylContact C-O 3.45Å; Y20-T28 WeakPolarHBondContact CA-O 3.38Å; Y20-T28 WeakPolarHBondContact CB-O 3.37Å; Y20-L74 HydrophobicContact CE1-CD2 3.85Å; Y20-L74 HydrophobicContact CE2-CD1 3.82Å; Y20-L74 HydrophobicContact CE2-CD2 4.25Å
21	V	43	Very low	39.2	Very low	47 Å²	47	76.1 Å²	76.1	29%	0.285	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.4	174.3	178	0	0	0	0	107.3	T28 Y30	V21-T28 PolarHBondContact N-O 3.11Å; V21-T28 PolarHBondContact O-N 2.87Å; V21-Y30 HydrophobicContact CB-CE2 4.03Å; V21-Y30 HydrophobicContact CG2-CD2 4.49Å; V21-Y30 HydrophobicContact CG2-CE2 3.64Å
22	L	38.7	Very low	39.8	Very low	81 Å²	81	69.3 Å²	69.3	42%	0.424	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.2	169.1	-171	86.8	0	0	0	108.5	D26 L27 L77	L22-D26 WeakPolarHBondContact CA-O 3.22Å; L22-L27 HydrophobicContact CD1-CB 4.27Å; L22-L27 HydrophobicContact CD1-CD1 4.42Å; L22-L77 HydrophobicContact CD1-CD2 4.33Å; L22-L77 HydrophobicContact CD2-CD1 4.16Å; L22-L77 HydrophobicContact CD2-CD2 3.45Å; L22-L77 VanDerWaalsContact CD2-CD2 3.45Å; L22-L77 HydrophobicContact CD2-CG 4.37Å; L22-L77 HydrophobicContact CG-CD2 4.41Å
23	H	46	Very low	40.2	Very low	120 Å²	120	67.5 Å²	67.5	56%	0.556	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	126.4	176.9	-172.7	-71.4	0	0	0	109.7	G25 D26	H23-G25 PolarHBondContact O-N 2.75Å; H23-D26 PolarHBondContact N-O 2.82Å; H23-D26 PolarHBondContact O-N 3.33Å
24	D	53.1	Low	40.6	Very low	147 Å²	147	71.4 Å²	71.4	79%	0.786	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	32.9	178.2	-67.7	-19.1	0	0	0	115.6	D26	D24-D26 VanDerWaalsContact C-N 3.34Å
25	G	47.3	Very low	41.1	Very low	55 Å²	55	68.2 Å²	68.2	57%	0.567	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-4.4	178.9	0	0	0	0	0	115	H23	H23-G25 PolarHBondContact O-N 2.75Å
26	D	48.9	Very low	41.6	Very low	34 Å²	34	70.6 Å²	70.6	18%	0.182	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134	171.3	-63.1	-28.5	0	0	0	109.9	L22 H23 D24 K45 I46 T47 A48	L22-D26 WeakPolarHBondContact CA-O 3.22Å; H23-D26 PolarHBondContact N-O 2.82Å; H23-D26 PolarHBondContact O-N 3.33Å; D24-D26 VanDerWaalsContact C-N 3.34Å; D26-K45 VanDerWaalsContact CB-CE 3.48Å; D26-K45 HydrophobicContact CB-CG 4.43Å; D26-K45 VanDerWaalsContact CG-CE 3.41Å; D26-K45 WeakPolarHBondContact OD2-CE 3.15Å; D26-K45 IonicContact OD2-NZ 3.01Å; D26-K45 PolarHBondContact OD2-NZ 3.44Å; D26-I46 WeakPolarHBondContact CA-O 3.27Å; D26-T47 VanDerWaalsContact OD1-CA 3.3Å; D26-T47 WeakPolarHBondContact OD1-CA 3.37Å; D26-A48 PolarHBondContact OD1-N 3.35Å
27	L	48.8	Very low	42	Very low	20 Å²	20	63.1 Å²	63.1	11%	0.105	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.9	175.3	174.9	64.1	0	0	0	109	Y20 L22 L29 I46 L63	Y20-L27 HydrophobicContact CD2-CD1 4.17Å; Y20-L27 HydrophobicContact CG-CD1 4.43Å; L22-L27 HydrophobicContact CD1-CB 4.27Å; L22-L27 HydrophobicContact CD1-CD1 4.42Å; L27-L29 HydrophobicContact CD1-CD2 4.32Å; L27-L29 HydrophobicContact CD2-CD1 4.48Å; L27-L29 HydrophobicContact CD2-CD2 4.24Å; L27-L29 HydrophobicContact CD2-CG 4.37Å; L27-L29 HydrophobicContact CG-CD2 4.22Å; L27-L29 HydrophobicContact CG-CG 4.16Å; L27-I46 HydrophobicContact CB-CB 4.29Å; L27-I46 HydrophobicContact CD2-CD1 4.09Å; L27-I46 PolarHBondContact N-O 3.11Å; L27-I46 PolarHBondContact O-N 2.83Å; L27-L63 HydrophobicContact CD2-CD2 3.82Å
28	T	48.4	Very low	42	Very low	20 Å²	20	61.1 Å²	61.1	12%	0.123	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.6	174.2	-51.3	0	0	0	0	109.6	Y20 V21 Y30 V43 W44	Y20-T28 CarbonylContact C-O 3.45Å; Y20-T28 WeakPolarHBondContact CA-O 3.38Å; Y20-T28 WeakPolarHBondContact CB-O 3.37Å; V21-T28 PolarHBondContact N-O 3.11Å; V21-T28 PolarHBondContact O-N 2.87Å; T28-Y30 HydrophobicContact CG2-CD2 4.3Å; T28-Y30 HydrophobicContact CG2-CE1 4.46Å; T28-Y30 HydrophobicContact CG2-CE2 3.56Å; T28-V43 HydrophobicContact CG2-CG1 3.52Å; T28-W44 CarbonylContact C-O 3.37Å; T28-W44 WeakPolarHBondContact CA-O 3.3Å
29	L	47.3	Very low	42.3	Very low	14 Å²	14	67.8 Å²	67.8	7%	0.073	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.8	176.8	-60.2	161.7	0	0	0	109.3	L27 Y31 V43 W44 I46	L27-L29 HydrophobicContact CD1-CD2 4.32Å; L27-L29 HydrophobicContact CD2-CD1 4.48Å; L27-L29 HydrophobicContact CD2-CD2 4.24Å; L27-L29 HydrophobicContact CD2-CG 4.37Å; L27-L29 HydrophobicContact CG-CD2 4.22Å; L27-L29 HydrophobicContact CG-CG 4.16Å; L29-Y31 HydrophobicContact CB-CD2 4.2Å; L29-Y31 HydrophobicContact CB-CE2 3.48Å; L29-Y31 VanDerWaalsContact CB-CE2 3.48Å; L29-Y31 HydrophobicContact CD1-CE2 4.17Å; L29-Y31 HydrophobicContact CG-CE2 4.35Å; L29-V43 CarbonylContact O-C 3.57Å; L29-V43 WeakPolarHBondContact O-CA 3.33Å; L29-W44 HydrophobicContact CB-CB 4.26Å; L29-W44 PolarHBondContact N-O 2.89Å; L29-W44 PolarHBondContact O-N 3.5Å; L29-I46 HydrophobicContact CD1-CD1 3.56Å; L29-I46 HydrophobicContact CD1-CG1 4.45Å; L29-I46 HydrophobicContact CG-CD1 4.5Å
30	Y	43.7	Very low	42.2	Very low	41 Å²	41	72.6 Å²	72.6	16%	0.161	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122	176.5	-61.1	-100.1	0	0	0	106.4	S18 A19 V21 T28 I41 M42 V43	S18-Y30 CarbonylContact C-O 3.44Å; S18-Y30 WeakPolarHBondContact CA-O 3.37Å; S18-Y30 WeakPolarHBondContact CB-O 3.26Å; A19-Y30 HydrophobicContact CB-CD2 4.35Å; A19-Y30 PolarHBondContact N-O 3.12Å; A19-Y30 WeakPolarHBondContact O-CA 3.39Å; A19-Y30 WeakPolarHBondContact O-CB 3.33Å; A19-Y30 WeakPolarHBondContact O-CD2 3.36Å; A19-Y30 PolarHBondContact O-N 2.81Å; V21-Y30 HydrophobicContact CB-CE2 4.03Å; V21-Y30 HydrophobicContact CG2-CD2 4.49Å; V21-Y30 HydrophobicContact CG2-CE2 3.64Å; T28-Y30 HydrophobicContact CG2-CD2 4.3Å; T28-Y30 HydrophobicContact CG2-CE1 4.46Å; T28-Y30 HydrophobicContact CG2-CE2 3.56Å; Y30-I41 HydrophobicContact CD1-CG2 4.03Å; Y30-I41 HydrophobicContact CG-CG2 4.45Å; Y30-M42 CarbonylContact C-O 3.52Å; Y30-M42 WeakPolarHBondContact CA-O 3.41Å; Y30-V43 HydrophobicContact CD1-CB 4.35Å; Y30-V43 HydrophobicContact CD1-CG1 4.04Å; Y30-V43 HydrophobicContact CD1-CG2 3.64Å; Y30-V43 HydrophobicContact CE1-CB 4.36Å; Y30-V43 HydrophobicContact CE1-CG1 3.68Å; Y30-V43 HydrophobicContact CE1-CG2 3.77Å
31	Y	44.7	Very low	42.1	Very low	47 Å²	47	75 Å²	75	18%	0.184	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.4	176.8	-65	-84.9	0	0	0	110.1	L29 N33 I41 M42 L66	L29-Y31 HydrophobicContact CB-CD2 4.2Å; L29-Y31 HydrophobicContact CB-CE2 3.48Å; L29-Y31 VanDerWaalsContact CB-CE2 3.48Å; L29-Y31 HydrophobicContact CD1-CE2 4.17Å; L29-Y31 HydrophobicContact CG-CE2 4.35Å; Y31-N33 PolarHBondContact O-N 2.79Å; Y31-I41 CarbonylContact O-C 3.49Å; Y31-I41 WeakPolarHBondContact O-CA 3.3Å; Y31-M42 PolarHBondContact N-O 3.02Å; Y31-M42 PolarHBondContact O-N 3.44Å; Y31-L66 WeakPolarHBondContact OH-CD1 3.37Å
32	P	39.7	Very low	42	Very low	27 Å²	27	76.1 Å²	76.1	18%	0.175	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	136.5	158.8	-17.9	31.6	0	0	0	108.5	E17 C34	E17-P32 HydrophobicContact CB-CG 3.47Å; E17-P32 VanDerWaalsContact CB-CG 3.47Å; E17-P32 WeakPolarHBondContact O-CD 3.11Å; P32-C34 VanDerWaalsContact C-N 3.34Å; P32-C34 PolarHBondContact O-N 3.3Å; P32-C34 PolarHBondContact O-SG 3.23Å
33	N	35.6	Very low	42.2	Very low	22 Å²	22	75.6 Å²	75.6	12%	0.118	41%	0.411	C	S	.	.			trans	-74.4	90.4	176.9	-177.6	-9.6	0	0	0	109.6	Y31 G35 Y36 D37 K40 M42	Y31-N33 PolarHBondContact O-N 2.79Å; N33-G35 PolarHBondContact O-N 3.02Å; N33-Y36 PolarHBondContact OD1-N 2.72Å; N33-D37 WeakPolarHBondContact CB-O 3.36Å; N33-K40 HydrophobicContact CB-CB 4.15Å; N33-K40 WeakPolarHBondContact CB-O 3.32Å; N33-K40 PolarHBondContact N-O 2.82Å; N33-M42 HydrophobicContact CB-CG 4.15Å
34	C	35.8	Very low	42.2	Very low	123 Å²	123	73.4 Å²	73.4	83%	0.831	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	12.3	-171.6	-57.6	0	0	0	0	116.2	P32	P32-C34 VanDerWaalsContact C-N 3.34Å; P32-C34 PolarHBondContact O-N 3.3Å; P32-C34 PolarHBondContact O-SG 3.23Å
35	G	34.3	Very low	41.9	Very low	48 Å²	48	71.9 Å²	71.9	50%	0.495	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.3	-21.8	-176.6	0	0	0	0	0	117.7	N33	N33-G35 PolarHBondContact O-N 3.02Å
36	Y	35.8	Very low	42	Very low	181 Å²	181	70.5 Å²	70.5	71%	0.71	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-42.2	-177.7	-74.2	-92.2	0	0	0	114	N33	N33-Y36 PolarHBondContact OD1-N 2.72Å
37	D	35.5	Very low	42	Very low	44 Å²	44	70.5 Å²	70.5	24%	0.235	37%	0.365	C	S	.	.			trans	-165.1	107.6	-177.7	-177.3	-11.9	0	0	0	108.7	N33 E39 K40	N33-D37 WeakPolarHBondContact CB-O 3.36Å; D37-E39 PolarHBondContact O-N 3.28Å; D37-E39 VanDerWaalsContact O-N 3.09Å; D37-E39 WeakPolarHBondContact OD1-CB 2.95Å; D37-E39 PolarHBondContact OD1-N 3.15Å; D37-K40 HydrophobicContact CB-CB 4.26Å; D37-K40 HydrophobicContact CB-CD 3.86Å; D37-K40 HydrophobicContact CB-CG 3.97Å; D37-K40 PolarHBondContact O-N 3.34Å; D37-K40 WeakPolarHBondContact OD2-CE 3.47Å; D37-K40 IonicContact OD2-NZ 3.31Å; D37-K40 PolarHBondContact OD2-NZ 3.45Å
38	P	37.1	Very low	41.9	Very low	115 Å²	115	72.3 Å²	72.3	75%	0.747	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.8	-176.1	25.8	-33.4	0	0	0	113.5	K40	P38-K40 VanDerWaalsContact C-N 3.3Å
39	E	42.3	Very low	41.9	Very low	179 Å²	179	77.2 Å²	77.2	84%	0.836	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.8	173.6	-60.4	-167.3	165.4	0	0	113.1	D37	D37-E39 PolarHBondContact O-N 3.28Å; D37-E39 VanDerWaalsContact O-N 3.09Å; D37-E39 WeakPolarHBondContact OD1-CB 2.95Å; D37-E39 PolarHBondContact OD1-N 3.15Å
40	K	36.4	Very low	41.7	Very low	120 Å²	120	78.7 Å²	78.7	52%	0.522	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-94.1	134.7	178.6	-68.7	-179.3	-173.3	151.3	0	110.9	N33 D37 P38	N33-K40 HydrophobicContact CB-CB 4.15Å; N33-K40 WeakPolarHBondContact CB-O 3.32Å; N33-K40 PolarHBondContact N-O 2.82Å; D37-K40 HydrophobicContact CB-CB 4.26Å; D37-K40 HydrophobicContact CB-CD 3.86Å; D37-K40 HydrophobicContact CB-CG 3.97Å; D37-K40 PolarHBondContact O-N 3.34Å; D37-K40 WeakPolarHBondContact OD2-CE 3.47Å; D37-K40 IonicContact OD2-NZ 3.31Å; D37-K40 PolarHBondContact OD2-NZ 3.45Å; P38-K40 VanDerWaalsContact C-N 3.3Å
41	I	41.6	Very low	41.5	Very low	91 Å²	91	78.7 Å²	78.7	47%	0.467	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124	171.9	-59.4	172.8	0	0	0	107.7	Y30 Y31 V43	Y30-I41 HydrophobicContact CD1-CG2 4.03Å; Y30-I41 HydrophobicContact CG-CG2 4.45Å; Y31-I41 CarbonylContact O-C 3.49Å; Y31-I41 WeakPolarHBondContact O-CA 3.3Å; I41-V43 HydrophobicContact CG2-CG2 4.21Å
42	M	41.1	Very low	41.4	Very low	70 Å²	70	86.9 Å²	86.9	35%	0.345	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.8	165.7	-65.9	-168.5	-63.7	0	0	108.7	Y30 Y31 N33	Y30-M42 CarbonylContact C-O 3.52Å; Y30-M42 WeakPolarHBondContact CA-O 3.41Å; Y31-M42 PolarHBondContact N-O 3.02Å; Y31-M42 PolarHBondContact O-N 3.44Å; N33-M42 HydrophobicContact CB-CG 4.15Å
43	V	41.7	Very low	41.4	Very low	70 Å²	70	94 Å²	94	42%	0.424	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.1	177.1	-172.9	0	0	0	0	108.4	I2 T28 L29 Y30 I41	I2-V43 HydrophobicContact CD1-CG2 4.08Å; T28-V43 HydrophobicContact CG2-CG1 3.52Å; L29-V43 CarbonylContact O-C 3.57Å; L29-V43 WeakPolarHBondContact O-CA 3.33Å; Y30-V43 HydrophobicContact CD1-CB 4.35Å; Y30-V43 HydrophobicContact CD1-CG1 4.04Å; Y30-V43 HydrophobicContact CD1-CG2 3.64Å; Y30-V43 HydrophobicContact CE1-CB 4.36Å; Y30-V43 HydrophobicContact CE1-CG1 3.68Å; Y30-V43 HydrophobicContact CE1-CG2 3.77Å; I41-V43 HydrophobicContact CG2-CG2 4.21Å
44	W	46.6	Very low	41.5	Very low	74 Å²	74	96.2 Å²	96.2	28%	0.28	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.8	-178.7	-82.6	78.8	0	0	0	109.7	T28 L29 W124 L125	T28-W44 CarbonylContact C-O 3.37Å; T28-W44 WeakPolarHBondContact CA-O 3.3Å; L29-W44 HydrophobicContact CB-CB 4.26Å; L29-W44 PolarHBondContact N-O 2.89Å; L29-W44 PolarHBondContact O-N 3.5Å; W44-W124 AromaticContact CD2-CD1 3.97Å; W44-W124 AromaticContact CE2-CD1 3.89Å; W44-W124 AromaticContact CE3-CD1 3.78Å; W44-W124 HydrophobicContact CH2-CB 4.02Å; W44-W124 AromaticContact CH2-CD1 3.5Å; W44-W124 VanDerWaalsContact CH2-CD1 3.5Å; W44-W124 HydrophobicContact CH2-CG 4.15Å; W44-W124 HydrophobicContact CZ2-CB 3.59Å; W44-W124 AromaticContact CZ2-CD1 3.69Å; W44-W124 HydrophobicContact CZ2-CG 4.01Å; W44-W124 AromaticContact CZ3-CD1 3.54Å; W44-L125 HydrophobicContact CH2-CB 4.18Å; W44-L125 HydrophobicContact CH2-CD1 4.2Å
45	K	47.9	Very low	41.7	Very low	115 Å²	115	91.2 Å²	91.2	50%	0.5	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.8	174.4	-170.6	-179.4	-177.7	-168.4	0	108.8	D26 T47	D26-K45 VanDerWaalsContact CB-CE 3.48Å; D26-K45 HydrophobicContact CB-CG 4.43Å; D26-K45 VanDerWaalsContact CG-CE 3.41Å; D26-K45 WeakPolarHBondContact OD2-CE 3.15Å; D26-K45 IonicContact OD2-NZ 3.01Å; D26-K45 PolarHBondContact OD2-NZ 3.44Å; K45-T47 HydrophobicContact CD-CG2 4.28Å; K45-T47 HydrophobicContact CG-CG2 4.25Å
46	I	49.5	Very low	42.1	Very low	25 Å²	25	91 Å²	91	13%	0.128	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.6	168.7	-57.8	168.6	0	0	0	106.5	D26 L27 L29 D50 L59	D26-I46 WeakPolarHBondContact CA-O 3.27Å; L27-I46 HydrophobicContact CB-CB 4.29Å; L27-I46 HydrophobicContact CD2-CD1 4.09Å; L27-I46 PolarHBondContact N-O 3.11Å; L27-I46 PolarHBondContact O-N 2.83Å; L29-I46 HydrophobicContact CD1-CD1 3.56Å; L29-I46 HydrophobicContact CD1-CG1 4.45Å; L29-I46 HydrophobicContact CG-CD1 4.5Å; I46-D50 HydrophobicContact CG2-CB 4.23Å; I46-L59 HydrophobicContact CD1-CD1 4.12Å; I46-L59 HydrophobicContact CG2-CD2 4.06Å
47	T	47.1	Very low	42.4	Very low	35 Å²	35	83.1 Å²	83.1	22%	0.215	40%	0.404	C	S	.	.			trans	-86.4	164.7	178.4	68.1	0	0	0	0	111.9	D26 K45 E49 D50 Y51	D26-T47 VanDerWaalsContact OD1-CA 3.3Å; D26-T47 WeakPolarHBondContact OD1-CA 3.37Å; K45-T47 HydrophobicContact CD-CG2 4.28Å; K45-T47 HydrophobicContact CG-CG2 4.25Å; T47-E49 PolarHBondContact O-N 2.77Å; T47-E49 PolarHBondContact OG1-N 3.45Å; T47-D50 WeakPolarHBondContact CB-OD2 3.13Å; T47-D50 PolarHBondContact N-OD2 3.47Å; T47-D50 WeakPolarHBondContact O-CB 3.46Å; T47-D50 PolarHBondContact O-N 3.26Å; T47-D50 VanDerWaalsContact OG1-CG 3.24Å; T47-D50 PolarHBondContact OG1-N 2.84Å; T47-D50 VanDerWaalsContact OG1-N 3.09Å; T47-D50 PolarHBondContact OG1-OD2 3.38Å; T47-Y51 PolarHBondContact O-N 3.3Å; T47-Y51 VanDerWaalsContact O-N 3.12Å
48	A	48.6	Very low	42.6	Very low	57 Å²	57	82 Å²	82	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-58.1	-27.3	168.4	0	0	0	0	0	113.2	D26 R52	D26-A48 PolarHBondContact OD1-N 3.35Å; A48-R52 PolarHBondContact O-N 3.48Å
49	E	48.4	Very low	42.9	Very low	123 Å²	123	77.1 Å²	77.1	58%	0.575	37%	0.368	S	S	*	.	H	α-helix	trans	-73.5	-45.4	176.2	-176.2	170.8	-169.1	0	0	111.6	T47 Y51 R52 Y53	T47-E49 PolarHBondContact O-N 2.77Å; T47-E49 PolarHBondContact OG1-N 3.45Å; E49-Y51 PolarHBondContact O-N 3.27Å; E49-R52 WeakPolarHBondContact O-CB 3.37Å; E49-R52 PolarHBondContact O-N 3.35Å; E49-Y53 HydrophobicContact CG-CD2 3.96Å; E49-Y53 HydrophobicContact CG-CE2 4.05Å; E49-Y53 PolarHBondContact O-N 3.24Å
50	D	42	Very low	42.9	Very low	46 Å²	46	73.1 Å²	73.1	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-53.1	-42.3	172.4	-66.1	-54	0	0	0	110.4	I46 T47 R52 Y53 Y54	I46-D50 HydrophobicContact CG2-CB 4.23Å; T47-D50 WeakPolarHBondContact CB-OD2 3.13Å; T47-D50 PolarHBondContact N-OD2 3.47Å; T47-D50 WeakPolarHBondContact O-CB 3.46Å; T47-D50 PolarHBondContact O-N 3.26Å; T47-D50 VanDerWaalsContact OG1-CG 3.24Å; T47-D50 PolarHBondContact OG1-N 2.84Å; T47-D50 VanDerWaalsContact OG1-N 3.09Å; T47-D50 PolarHBondContact OG1-OD2 3.38Å; D50-R52 PolarHBondContact O-N 2.81Å; D50-Y53 PolarHBondContact O-N 2.87Å; D50-Y53 VanDerWaalsContact O-N 3.11Å; D50-Y54 HydrophobicContact CB-CD2 3.87Å; D50-Y54 HydrophobicContact CB-CE2 3.73Å; D50-Y54 WeakPolarHBondContact O-CD2 3.21Å; D50-Y54 PolarHBondContact O-N 2.75Å
51	Y	40.6	Very low	43.3	Very low	40 Å²	40	69.7 Å²	69.7	16%	0.157	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-39.7	176.7	-166.8	-105.3	0	0	0	113.7	T47 E49 Y53 K56 L59 L82	T47-Y51 PolarHBondContact O-N 3.3Å; T47-Y51 VanDerWaalsContact O-N 3.12Å; E49-Y51 PolarHBondContact O-N 3.27Å; Y51-Y53 VanDerWaalsContact C-N 3.28Å; Y51-Y53 PolarHBondContact O-N 3.03Å; Y51-K56 HydrophobicContact CE1-CD 3.86Å; Y51-K56 HydrophobicContact CE1-CG 3.71Å; Y51-K56 WeakPolarHBondContact OH-CD 3.26Å; Y51-K56 WeakPolarHBondContact OH-CG 3.46Å; Y51-L59 HydrophobicContact CD2-CB 4.42Å; Y51-L59 HydrophobicContact CD2-CD2 3.4Å; Y51-L59 HydrophobicContact CD2-CG 4.5Å; Y51-L59 HydrophobicContact CE2-CB 4.3Å; Y51-L59 HydrophobicContact CE2-CD2 3.73Å; Y51-L82 HydrophobicContact CE1-CD2 4.41Å; Y51-L82 HydrophobicContact CE2-CD1 4.5Å
52	R	41.7	Very low	43.4	Very low	219 Å²	219	66.4 Å²	66.4	83%	0.826	32%	0.317	S	S	*	.	H	α-helix	trans	-64.3	-36.3	174.6	-70.5	178.4	-176.8	-177.2	1.2	111.2	A48 E49 D50	A48-R52 PolarHBondContact O-N 3.48Å; E49-R52 WeakPolarHBondContact O-CB 3.37Å; E49-R52 PolarHBondContact O-N 3.35Å; D50-R52 PolarHBondContact O-N 2.81Å
53	Y	38.6	Very low	43.4	Very low	176 Å²	176	63.4 Å²	63.4	69%	0.69	30%	0.303	S	S	*	.	H	α-helix	trans	-78.6	-51.1	-177.1	-93.2	-82.6	0	0	0	113.9	E49 D50 Y51 G55	E49-Y53 HydrophobicContact CG-CD2 3.96Å; E49-Y53 HydrophobicContact CG-CE2 4.05Å; E49-Y53 PolarHBondContact O-N 3.24Å; D50-Y53 PolarHBondContact O-N 2.87Å; D50-Y53 VanDerWaalsContact O-N 3.11Å; Y51-Y53 VanDerWaalsContact C-N 3.28Å; Y51-Y53 PolarHBondContact O-N 3.03Å; Y53-G55 PolarHBondContact O-N 3.21Å
54	Y	39.7	Very low	43.3	Very low	69 Å²	69	64.4 Å²	64.4	27%	0.271	30%	0.303	S	S	.	.	H	α-helix	trans	-72.7	-16.6	-173.5	-67.1	-64.1	0	0	0	113.6	D50 M128	D50-Y54 HydrophobicContact CB-CD2 3.87Å; D50-Y54 HydrophobicContact CB-CE2 3.73Å; D50-Y54 WeakPolarHBondContact O-CD2 3.21Å; D50-Y54 PolarHBondContact O-N 2.75Å; Y54-M128 HydrophobicContact CD1-CE 3.69Å; Y54-M128 HydrophobicContact CD2-CE 4.37Å; Y54-M128 HydrophobicContact CE1-CE 3.84Å; Y54-M128 HydrophobicContact CG-CE 4.01Å
55	G	39.5	Very low	42.9	Very low	18 Å²	18	62.7 Å²	62.7	19%	0.186	30%	0.3	C	S	.	.			trans	74	143.2	-179	0	0	0	0	0	111.8	Y53 G57 A58 L59	Y53-G55 PolarHBondContact O-N 3.21Å; G55-G57 VanDerWaalsContact C-N 3.31Å; G55-G57 PolarHBondContact O-N 3.3Å; G55-A58 PolarHBondContact O-N 3.46Å; G55-L59 PolarHBondContact O-N 3.04Å
56	K	42.4	Very low	42.3	Very low	43 Å²	43	60.5 Å²	60.5	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-31.8	-165.9	-52.2	-169.8	179.8	124.8	0	113.4	Y51 K60 A85 T86	Y51-K56 HydrophobicContact CE1-CD 3.86Å; Y51-K56 HydrophobicContact CE1-CG 3.71Å; Y51-K56 WeakPolarHBondContact OH-CD 3.26Å; Y51-K56 WeakPolarHBondContact OH-CG 3.46Å; K56-K60 WeakPolarHBondContact O-CA 3.13Å; K56-K60 WeakPolarHBondContact O-CB 3.19Å; K56-K60 PolarHBondContact O-N 2.79Å; K56-A85 PolarHBondContact NZ-O 3.39Å; K56-T86 HydrophobicContact CD-CG2 3.18Å; K56-T86 VanDerWaalsContact NZ-CA 3.32Å
57	G	41.5	Very low	41.7	Very low	17 Å²	17	60.7 Å²	60.7	18%	0.175	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-49.5	179.9	0	0	0	0	0	112.4	G55 K60 E61	G55-G57 VanDerWaalsContact C-N 3.31Å; G55-G57 PolarHBondContact O-N 3.3Å; G57-K60 PolarHBondContact O-N 2.72Å; G57-E61 WeakPolarHBondContact O-CB 3.17Å; G57-E61 WeakPolarHBondContact O-CG 3.29Å; G57-E61 PolarHBondContact O-N 3.34Å
58	A	40.8	Very low	41.2	Very low	21 Å²	21	64.4 Å²	64.4	17%	0.174	31%	0.306	C	S	.	.	H	α-helix	trans	-67.5	-43.6	-177.9	0	0	0	0	0	112.1	G55 L62 V131 N135	G55-A58 PolarHBondContact O-N 3.46Å; A58-L62 WeakPolarHBondContact O-CB 3.25Å; A58-L62 PolarHBondContact O-N 2.81Å; A58-V131 HydrophobicContact CB-CG1 4.4Å; A58-N135 VanDerWaalsContact CB-ND2 3.29Å; A58-N135 WeakPolarHBondContact CB-ND2 3.31Å
59	L	42.8	Very low	40.5	Very low	11 Å²	11	68 Å²	68	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-72.4	-37.6	177.3	-161	77.6	0	0	0	111.9	I46 Y51 G55 L62 L63	I46-L59 HydrophobicContact CD1-CD1 4.12Å; I46-L59 HydrophobicContact CG2-CD2 4.06Å; Y51-L59 HydrophobicContact CD2-CB 4.42Å; Y51-L59 HydrophobicContact CD2-CD2 3.4Å; Y51-L59 HydrophobicContact CD2-CG 4.5Å; Y51-L59 HydrophobicContact CE2-CB 4.3Å; Y51-L59 HydrophobicContact CE2-CD2 3.73Å; G55-L59 PolarHBondContact O-N 3.04Å; L59-L62 HydrophobicContact CD1-CD2 3.9Å; L59-L62 WeakPolarHBondContact O-CB 3.37Å; L59-L62 PolarHBondContact O-N 2.74Å; L59-L63 HydrophobicContact CD2-CD1 3.92Å; L59-L63 HydrophobicContact CG-CD1 3.86Å; L59-L63 HydrophobicContact CG-CG 4.09Å; L59-L63 WeakPolarHBondContact O-CB 3.14Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 2.95Å
60	K	43.1	Very low	39.7	Very low	95 Å²	95	63.4 Å²	63.4	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-45.3	175.3	179.4	179.5	169.5	179.2	0	111.2	K56 G57 L63 E64	K56-K60 WeakPolarHBondContact O-CA 3.13Å; K56-K60 WeakPolarHBondContact O-CB 3.19Å; K56-K60 PolarHBondContact O-N 2.79Å; G57-K60 PolarHBondContact O-N 2.72Å; K60-L63 PolarHBondContact O-N 3.25Å; K60-E64 WeakPolarHBondContact CE-OE1 3.31Å; K60-E64 HydrophobicContact CG-CG 4.22Å; K60-E64 IonicContact NZ-OE1 3.85Å; K60-E64 VanDerWaalsContact O-CB 3.24Å; K60-E64 WeakPolarHBondContact O-CB 3.25Å; K60-E64 VanDerWaalsContact O-CG 3.23Å; K60-E64 WeakPolarHBondContact O-CG 3.25Å; K60-E64 PolarHBondContact O-N 2.79Å
61	E	43.5	Very low	39.4	Very low	49 Å²	49	62.8 Å²	62.8	23%	0.229	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-41.5	176	-75.3	176.9	-163.3	0	0	111	G57 L63 E64 V65 V95 W110	G57-E61 WeakPolarHBondContact O-CB 3.17Å; G57-E61 WeakPolarHBondContact O-CG 3.29Å; G57-E61 PolarHBondContact O-N 3.34Å; E61-L63 PolarHBondContact O-N 3.31Å; E61-E64 PolarHBondContact O-N 3.23Å; E61-V65 VanDerWaalsContact O-CB 3.32Å; E61-V65 WeakPolarHBondContact O-CB 3.29Å; E61-V65 WeakPolarHBondContact O-CG2 3.39Å; E61-V65 PolarHBondContact O-N 3.46Å; E61-V95 WeakPolarHBondContact OE1-CG2 3.29Å; E61-W110 PolarHBondContact OE2-NE1 3.49Å
62	L	43.3	Very low	39.4	Very low	21 Å²	21	65.5 Å²	65.5	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-48.5	174.2	-171.9	75.5	0	0	0	111.7	A58 L59 V65 L66 L114 W124 M128	A58-L62 WeakPolarHBondContact O-CB 3.25Å; A58-L62 PolarHBondContact O-N 2.81Å; L59-L62 HydrophobicContact CD1-CD2 3.9Å; L59-L62 WeakPolarHBondContact O-CB 3.37Å; L59-L62 PolarHBondContact O-N 2.74Å; L62-V65 PolarHBondContact O-N 3.04Å; L62-L66 HydrophobicContact CD2-CD1 4.48Å; L62-L66 HydrophobicContact CG-CD1 4.12Å; L62-L66 WeakPolarHBondContact O-CB 3.23Å; L62-L66 VanDerWaalsContact O-CG 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.27Å; L62-L66 PolarHBondContact O-N 2.7Å; L62-L114 HydrophobicContact CD1-CD1 4.2Å; L62-W124 HydrophobicContact CD1-CH2 3.39Å; L62-W124 HydrophobicContact CD1-CZ2 3.44Å; L62-W124 VanDerWaalsContact CD1-CZ2 3.44Å; L62-W124 HydrophobicContact CD2-CH2 4.47Å; L62-W124 HydrophobicContact CD2-CZ2 3.68Å; L62-W124 HydrophobicContact CG-CH2 4.35Å; L62-W124 HydrophobicContact CG-CZ2 4.04Å; L62-M128 HydrophobicContact CD2-SD 4.4Å
63	L	41.6	Very low	39.4	Very low	8 Å²	8	61.6 Å²	61.6	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-50.5	176.9	-73.2	173.4	0	0	0	109.3	L27 L59 K60 E61 V65 L66 Y67	L27-L63 HydrophobicContact CD2-CD2 3.82Å; L59-L63 HydrophobicContact CD2-CD1 3.92Å; L59-L63 HydrophobicContact CG-CD1 3.86Å; L59-L63 HydrophobicContact CG-CG 4.09Å; L59-L63 WeakPolarHBondContact O-CB 3.14Å; L59-L63 WeakPolarHBondContact O-CG 3.49Å; L59-L63 PolarHBondContact O-N 2.95Å; K60-L63 PolarHBondContact O-N 3.25Å; E61-L63 PolarHBondContact O-N 3.31Å; L63-V65 VanDerWaalsContact C-N 3.3Å; L63-V65 PolarHBondContact O-N 2.75Å; L63-L66 CarbonylContact O-C 3.45Å; L63-L66 WeakPolarHBondContact O-CA 3.36Å; L63-L66 PolarHBondContact O-N 2.65Å; L63-L66 VanDerWaalsContact O-N 3.09Å; L63-Y67 HydrophobicContact CB-CD2 3.5Å; L63-Y67 HydrophobicContact CB-CE2 3.42Å; L63-Y67 VanDerWaalsContact CB-CE2 3.42Å; L63-Y67 HydrophobicContact CD1-CE2 4.23Å; L63-Y67 HydrophobicContact CD2-CD2 4.24Å; L63-Y67 HydrophobicContact CD2-CE2 3.32Å; L63-Y67 WeakPolarHBondContact CD2-OH 3.49Å; L63-Y67 HydrophobicContact CG-CD2 4.37Å; L63-Y67 HydrophobicContact CG-CE2 3.77Å; L63-Y67 VanDerWaalsContact O-CA 3.31Å; L63-Y67 WeakPolarHBondContact O-CA 3.18Å; L63-Y67 WeakPolarHBondContact O-CB 3.49Å; L63-Y67 WeakPolarHBondContact O-CD2 3.47Å; L63-Y67 PolarHBondContact O-N 2.84Å
64	E	40.9	Very low	39.4	Very low	91 Å²	91	53.6 Å²	53.6	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-33.5	176.6	-76.3	178.4	168.1	0	0	113.6	K60 E61 Y67 K68	K60-E64 WeakPolarHBondContact CE-OE1 3.31Å; K60-E64 HydrophobicContact CG-CG 4.22Å; K60-E64 IonicContact NZ-OE1 3.85Å; K60-E64 VanDerWaalsContact O-CB 3.24Å; K60-E64 WeakPolarHBondContact O-CB 3.25Å; K60-E64 VanDerWaalsContact O-CG 3.23Å; K60-E64 WeakPolarHBondContact O-CG 3.25Å; K60-E64 PolarHBondContact O-N 2.79Å; E61-E64 PolarHBondContact O-N 3.23Å; E64-Y67 CarbonylContact O-C 3.37Å; E64-Y67 PolarHBondContact O-N 3.39Å; E64-K68 PolarHBondContact O-N 2.8Å
65	V	37.3	Very low	39.5	Very low	37 Å²	37	54.5 Å²	54.5	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-73	-41.1	173.5	170.5	0	0	0	0	110.9	E61 L62 L63 Y67 I107 L114	E61-V65 VanDerWaalsContact O-CB 3.32Å; E61-V65 WeakPolarHBondContact O-CB 3.29Å; E61-V65 WeakPolarHBondContact O-CG2 3.39Å; E61-V65 PolarHBondContact O-N 3.46Å; L62-V65 PolarHBondContact O-N 3.04Å; L63-V65 VanDerWaalsContact C-N 3.3Å; L63-V65 PolarHBondContact O-N 2.75Å; V65-Y67 PolarHBondContact O-N 3.23Å; V65-I107 HydrophobicContact CG2-CG1 4.31Å; V65-I107 HydrophobicContact CG2-CG2 4.24Å; V65-L114 HydrophobicContact CG1-CD1 4.14Å
66	L	36.1	Very low	39.7	Very low	70 Å²	70	56.4 Å²	56.4	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-69.1	-22.3	170.1	-68.4	168.4	0	0	0	112.3	Y31 L62 L63	Y31-L66 WeakPolarHBondContact OH-CD1 3.37Å; L62-L66 HydrophobicContact CD2-CD1 4.48Å; L62-L66 HydrophobicContact CG-CD1 4.12Å; L62-L66 WeakPolarHBondContact O-CB 3.23Å; L62-L66 VanDerWaalsContact O-CG 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.27Å; L62-L66 PolarHBondContact O-N 2.7Å; L63-L66 CarbonylContact O-C 3.45Å; L63-L66 WeakPolarHBondContact O-CA 3.36Å; L63-L66 PolarHBondContact O-N 2.65Å; L63-L66 VanDerWaalsContact O-N 3.09Å
67	Y	36.2	Very low	39.5	Very low	29 Å²	29	56.7 Å²	56.7	11%	0.114	31%	0.306	C	S	.	.	H	α-helix	trans	-116	7.2	-167.1	-65.6	-28.8	0	0	0	114.7	L63 E64 V65 E69 A70 L74	L63-Y67 HydrophobicContact CB-CD2 3.5Å; L63-Y67 HydrophobicContact CB-CE2 3.42Å; L63-Y67 VanDerWaalsContact CB-CE2 3.42Å; L63-Y67 HydrophobicContact CD1-CE2 4.23Å; L63-Y67 HydrophobicContact CD2-CD2 4.24Å; L63-Y67 HydrophobicContact CD2-CE2 3.32Å; L63-Y67 WeakPolarHBondContact CD2-OH 3.49Å; L63-Y67 HydrophobicContact CG-CD2 4.37Å; L63-Y67 HydrophobicContact CG-CE2 3.77Å; L63-Y67 VanDerWaalsContact O-CA 3.31Å; L63-Y67 WeakPolarHBondContact O-CA 3.18Å; L63-Y67 WeakPolarHBondContact O-CB 3.49Å; L63-Y67 WeakPolarHBondContact O-CD2 3.47Å; L63-Y67 PolarHBondContact O-N 2.84Å; E64-Y67 CarbonylContact O-C 3.37Å; E64-Y67 PolarHBondContact O-N 3.39Å; V65-Y67 PolarHBondContact O-N 3.23Å; Y67-E69 PolarHBondContact O-N 3.49Å; Y67-A70 HydrophobicContact CD1-CB 3.5Å; Y67-A70 HydrophobicContact CE1-CB 4.45Å; Y67-A70 HydrophobicContact CG-CB 3.62Å; Y67-A70 WeakPolarHBondContact O-CB 3.36Å; Y67-A70 PolarHBondContact O-N 3.39Å; Y67-L74 HydrophobicContact CD1-CD2 3.61Å; Y67-L74 HydrophobicContact CD2-CD2 4.36Å; Y67-L74 HydrophobicContact CE1-CD2 3.06Å; Y67-L74 HydrophobicContact CE1-CG 4.1Å; Y67-L74 HydrophobicContact CE2-CD2 3.91Å; Y67-L74 HydrophobicContact CE2-CG 4.06Å; Y67-L74 HydrophobicContact CG-CD2 4.23Å
68	K	37	Very low	39.5	Very low	113 Å²	113	57.3 Å²	57.3	49%	0.491	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.8	168	-119.1	177.7	173.1	-177.7	0	112.2	E64 I107	E64-K68 PolarHBondContact O-N 2.8Å; K68-I107 HydrophobicContact CD-CD1 4.1Å; K68-I107 HydrophobicContact CD-CG2 4.05Å; K68-I107 VanDerWaalsContact CE-CD1 3.44Å; K68-I107 VanDerWaalsContact NZ-CD1 3.25Å
69	E	32.9	Very low	39.6	Very low	133 Å²	133	59.3 Å²	59.3	62%	0.621	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	10.5	169	-58.4	-169.9	155.4	0	0	113.8	Y15 Y67	Y15-E69 WeakPolarHBondContact CD1-OE2 3.2Å; Y15-E69 WeakPolarHBondContact CE1-OE2 3.31Å; Y67-E69 PolarHBondContact O-N 3.49Å
70	A	32.9	Very low	39.5	Very low	25 Å²	25	62.2 Å²	62.2	21%	0.207	34%	0.335	C	S	.	.			trans	-74	146.3	-177.5	0	0	0	0	0	113.4	Y67 L74	Y67-A70 HydrophobicContact CD1-CB 3.5Å; Y67-A70 HydrophobicContact CE1-CB 4.45Å; Y67-A70 HydrophobicContact CG-CB 3.62Å; Y67-A70 WeakPolarHBondContact O-CB 3.36Å; Y67-A70 PolarHBondContact O-N 3.39Å; A70-L74 HydrophobicContact CB-CD2 4.07Å
71	A	34.5	Very low	39.1	Very low	34 Å²	34	65 Å²	65	28%	0.281	35%	0.348	S	S	.	.			trans	-59.8	139.4	174.9	0	0	0	0	0	111.2	E73 L74	A71-E73 VanDerWaalsContact CB-OE2 3.23Å; A71-E73 WeakPolarHBondContact CB-OE2 3.39Å; A71-E73 PolarHBondContact O-N 3.33Å; A71-L74 WeakPolarHBondContact O-CB 3.39Å; A71-L74 PolarHBondContact O-N 2.83Å
72	P	41.9	Very low	38.7	Very low	96 Å²	96	65.3 Å²	65.3	62%	0.623	35%	0.35	S	S	*	.	H	α-helix	trans	-49.8	-29.8	-177.1	-29.1	35.1	0	0	0	115.3	L74 I75 A76	P72-L74 VanDerWaalsContact C-N 3.26Å; P72-L74 PolarHBondContact O-N 3.1Å; P72-I75 PolarHBondContact O-N 3.18Å; P72-A76 PolarHBondContact O-N 2.98Å
73	E	40	Very low	38.1	Very low	137 Å²	137	71.4 Å²	71.4	64%	0.64	37%	0.372	S	S	*	.	H	α-helix	trans	-61.2	-33.9	179.3	-63	80	-177.1	0	0	112.4	A71 L77	A71-E73 VanDerWaalsContact CB-OE2 3.23Å; A71-E73 WeakPolarHBondContact CB-OE2 3.39Å; A71-E73 PolarHBondContact O-N 3.33Å; E73-L77 PolarHBondContact O-N 2.92Å; E73-L77 VanDerWaalsContact O-N 3.09Å
74	L	38.7	Very low	37.6	Very low	9 Å²	9	75.5 Å²	75.5	5%	0.047	40%	0.399	C	S	.	.	H	α-helix	trans	-78.7	-37.4	-178.7	-168.8	57.5	0	0	0	112	Y20 Y67 A70 A71 P72 A76 L77 V78	Y20-L74 HydrophobicContact CE1-CD2 3.85Å; Y20-L74 HydrophobicContact CE2-CD1 3.82Å; Y20-L74 HydrophobicContact CE2-CD2 4.25Å; Y67-L74 HydrophobicContact CD1-CD2 3.61Å; Y67-L74 HydrophobicContact CD2-CD2 4.36Å; Y67-L74 HydrophobicContact CE1-CD2 3.06Å; Y67-L74 HydrophobicContact CE1-CG 4.1Å; Y67-L74 HydrophobicContact CE2-CD2 3.91Å; Y67-L74 HydrophobicContact CE2-CG 4.06Å; Y67-L74 HydrophobicContact CG-CD2 4.23Å; A70-L74 HydrophobicContact CB-CD2 4.07Å; A71-L74 WeakPolarHBondContact O-CB 3.39Å; A71-L74 PolarHBondContact O-N 2.83Å; P72-L74 VanDerWaalsContact C-N 3.26Å; P72-L74 PolarHBondContact O-N 3.1Å; L74-A76 VanDerWaalsContact C-N 3.34Å; L74-L77 HydrophobicContact CD1-CD2 4.26Å; L74-L77 WeakPolarHBondContact O-CB 3.34Å; L74-L77 PolarHBondContact O-N 2.89Å; L74-V78 WeakPolarHBondContact O-CG2 3.42Å; L74-V78 PolarHBondContact O-N 3.27Å
75	I	41.7	Very low	37	Very low	88 Å²	88	74.5 Å²	74.5	45%	0.451	41%	0.406	S	S	.	.	H	α-helix	trans	-61.3	-46.2	171.3	-62	173.8	0	0	0	109.6	P72 L77 V78 D79	P72-I75 PolarHBondContact O-N 3.18Å; I75-L77 VanDerWaalsContact C-N 3.27Å; I75-L77 PolarHBondContact O-N 3.46Å; I75-V78 PolarHBondContact O-N 2.88Å; I75-D79 WeakPolarHBondContact O-CB 3.16Å; I75-D79 PolarHBondContact O-N 3.41Å
76	A	44.2	Very low	36.9	Very low	57 Å²	57	74.7 Å²	74.7	47%	0.471	41%	0.408	S	S	.	.	H	α-helix	trans	-62.4	-33.4	177.3	0	0	0	0	0	112.7	P72 L74 S80	P72-A76 PolarHBondContact O-N 2.98Å; L74-A76 VanDerWaalsContact C-N 3.34Å; A76-S80 WeakPolarHBondContact O-CB 2.97Å; A76-S80 PolarHBondContact O-N 3.27Å; A76-S80 PolarHBondContact O-OG 2.8Å
77	L	39.4	Very low	36.6	Very low	50 Å²	50	79.1 Å²	79.1	26%	0.262	43%	0.431	S	S	.	.	H	α-helix	trans	-69.7	-47.4	175	-177.7	78.4	0	0	0	111.9	L22 E73 L74 I75 D79 S80 K81	L22-L77 HydrophobicContact CD1-CD2 4.33Å; L22-L77 HydrophobicContact CD2-CD1 4.16Å; L22-L77 HydrophobicContact CD2-CD2 3.45Å; L22-L77 VanDerWaalsContact CD2-CD2 3.45Å; L22-L77 HydrophobicContact CD2-CG 4.37Å; L22-L77 HydrophobicContact CG-CD2 4.41Å; E73-L77 PolarHBondContact O-N 2.92Å; E73-L77 VanDerWaalsContact O-N 3.09Å; L74-L77 HydrophobicContact CD1-CD2 4.26Å; L74-L77 WeakPolarHBondContact O-CB 3.34Å; L74-L77 PolarHBondContact O-N 2.89Å; I75-L77 VanDerWaalsContact C-N 3.27Å; I75-L77 PolarHBondContact O-N 3.46Å; L77-D79 VanDerWaalsContact C-N 3.27Å; L77-D79 PolarHBondContact O-N 3.45Å; L77-S80 PolarHBondContact O-N 3.48Å; L77-S80 PolarHBondContact O-OG 2.66Å; L77-K81 HydrophobicContact CD1-CG 3.76Å; L77-K81 HydrophobicContact CG-CG 4.45Å; L77-K81 WeakPolarHBondContact O-CB 3.34Å; L77-K81 PolarHBondContact O-N 3.24Å
78	V	41.2	Very low	36.4	Very low	30 Å²	30	83.2 Å²	83.2	18%	0.182	46%	0.455	C	S	.	.	I	π-helix	trans	-55.8	-46.3	173.7	169.1	0	0	0	0	109.6	L74 I75 L82 R83	L74-V78 WeakPolarHBondContact O-CG2 3.42Å; L74-V78 PolarHBondContact O-N 3.27Å; I75-V78 PolarHBondContact O-N 2.88Å; V78-L82 HydrophobicContact CB-CD1 4.26Å; V78-L82 HydrophobicContact CG1-CD1 4.12Å; V78-L82 HydrophobicContact CG2-CD1 4.1Å; V78-L82 WeakPolarHBondContact O-CA 2.78Å; V78-L82 WeakPolarHBondContact O-CB 3.45Å; V78-L82 PolarHBondContact O-N 3.44Å; V78-R83 PolarHBondContact O-N 2.91Å
79	D	43.2	Very low	36.1	Very low	63 Å²	63	86 Å²	86	34%	0.337	47%	0.47	S	S	.	.	I	π-helix	trans	-70.6	-35.3	180	-88.2	-19.7	0	0	0	113.9	I75 L77 R83	I75-D79 WeakPolarHBondContact O-CB 3.16Å; I75-D79 PolarHBondContact O-N 3.41Å; L77-D79 VanDerWaalsContact C-N 3.27Å; L77-D79 PolarHBondContact O-N 3.45Å; D79-R83 WeakPolarHBondContact O-CB 3.46Å; D79-R83 IonicContact OD1-CZ 3.61Å; D79-R83 IonicContact OD1-NE 2.65Å; D79-R83 PolarHBondContact OD1-NE 3.26Å; D79-R83 IonicContact OD1-NH2 3.69Å; D79-R83 PolarHBondContact OD1-NH2 3.2Å; D79-R83 IonicContact OD2-CZ 3.81Å; D79-R83 IonicContact OD2-NH2 2.98Å; D79-R83 PolarHBondContact OD2-NH2 3.48Å; D79-R83 VanDerWaalsContact OD2-NH2 3.15Å
80	S	40.7	Very low	36.1	Very low	72 Å²	72	86.9 Å²	86.9	50%	0.503	47%	0.474	S	S	.	.	I	π-helix	trans	-86.2	-34.2	-176.5	61.7	0	0	0	0	114.3	A76 L77 P84	A76-S80 WeakPolarHBondContact O-CB 2.97Å; A76-S80 PolarHBondContact O-N 3.27Å; A76-S80 PolarHBondContact O-OG 2.8Å; L77-S80 PolarHBondContact O-N 3.48Å; L77-S80 PolarHBondContact O-OG 2.66Å; S80-P84 WeakPolarHBondContact O-CD 3.26Å; S80-P84 WeakPolarHBondContact O-CG 3.45Å
81	K	34.4	Very low	36	Very low	154 Å²	154	87.8 Å²	87.8	67%	0.67	48%	0.479	S	S	*	.	I	π-helix	trans	-97.5	-37.8	-178.4	-66	-67.5	-175	176.1	0	112.4	L77	L77-K81 HydrophobicContact CD1-CG 3.76Å; L77-K81 HydrophobicContact CG-CG 4.45Å; L77-K81 WeakPolarHBondContact O-CB 3.34Å; L77-K81 PolarHBondContact O-N 3.24Å
82	L	33.9	Very low	35.7	Very low	55 Å²	55	89.5 Å²	89.5	29%	0.288	49%	0.493	S	S	.	.	I	π-helix	trans	-92.1	-37.7	-172.2	-54.4	173.9	0	0	0	112	Y51 V78 A85 T86	Y51-L82 HydrophobicContact CE1-CD2 4.41Å; Y51-L82 HydrophobicContact CE2-CD1 4.5Å; V78-L82 HydrophobicContact CB-CD1 4.26Å; V78-L82 HydrophobicContact CG1-CD1 4.12Å; V78-L82 HydrophobicContact CG2-CD1 4.1Å; V78-L82 WeakPolarHBondContact O-CA 2.78Å; V78-L82 WeakPolarHBondContact O-CB 3.45Å; V78-L82 PolarHBondContact O-N 3.44Å; L82-A85 PolarHBondContact O-N 2.88Å; L82-T86 WeakPolarHBondContact O-CG2 3.4Å
83	R	31.1	Very low	35	Very low	148 Å²	148	88.3 Å²	88.3	56%	0.558	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-61.1	-38	-179	-158.2	-174.5	-86.7	-159.8	-2.1	115	V78 D79 A85 T86	V78-R83 PolarHBondContact O-N 2.91Å; D79-R83 WeakPolarHBondContact O-CB 3.46Å; D79-R83 IonicContact OD1-CZ 3.61Å; D79-R83 IonicContact OD1-NE 2.65Å; D79-R83 PolarHBondContact OD1-NE 3.26Å; D79-R83 IonicContact OD1-NH2 3.69Å; D79-R83 PolarHBondContact OD1-NH2 3.2Å; D79-R83 IonicContact OD2-CZ 3.81Å; D79-R83 IonicContact OD2-NH2 2.98Å; D79-R83 PolarHBondContact OD2-NH2 3.48Å; D79-R83 VanDerWaalsContact OD2-NH2 3.15Å; R83-A85 PolarHBondContact O-N 2.65Å; R83-T86 WeakPolarHBondContact O-CB 2.94Å; R83-T86 WeakPolarHBondContact O-CG2 3.49Å; R83-T86 PolarHBondContact O-N 3.27Å; R83-T86 PolarHBondContact O-OG1 3.48Å
84	P	31.1	Very low	34.5	Very low	95 Å²	95	84.8 Å²	84.8	62%	0.617	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-68.5	-18.7	178	-19.9	32.8	0	0	0	114	S80 T86	S80-P84 WeakPolarHBondContact O-CD 3.26Å; S80-P84 WeakPolarHBondContact O-CG 3.45Å; P84-T86 PolarHBondContact O-N 3.36Å
85	A	27.6	Very low	34	Very low	70 Å²	70	87 Å²	87	58%	0.579	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-82.2	12.9	176.6	0	0	0	0	0	112.7	K56 L82 R83	K56-A85 PolarHBondContact NZ-O 3.39Å; L82-A85 PolarHBondContact O-N 2.88Å; R83-A85 PolarHBondContact O-N 2.65Å
86	T	35.2	Very low	33.3	Very low	41 Å²	41	90.1 Å²	90.1	25%	0.252	49%	0.493	S	S	.	.			trans	-130.8	24.6	-158.3	79.4	0	0	0	0	118.2	K56 L82 R83 P84 D88	K56-T86 HydrophobicContact CD-CG2 3.18Å; K56-T86 VanDerWaalsContact NZ-CA 3.32Å; L82-T86 WeakPolarHBondContact O-CG2 3.4Å; R83-T86 WeakPolarHBondContact O-CB 2.94Å; R83-T86 WeakPolarHBondContact O-CG2 3.49Å; R83-T86 PolarHBondContact O-N 3.27Å; R83-T86 PolarHBondContact O-OG1 3.48Å; P84-T86 PolarHBondContact O-N 3.36Å; T86-D88 PolarHBondContact O-N 3.28Å
87	D	30	Very low	32.5	Very low	162 Å²	162	93.9 Å²	93.9	87%	0.866	50%	0.501	S	S	*	.			trans	-69.2	35.3	170.5	-73.6	-10.9	0	0	0	114.1
88	D	33.5	Very low	32.2	Very low	115 Å²	115	97.5 Å²	97.5	62%	0.615	51%	0.514	S	S	*	.			trans	-103	99.6	163.7	-79.3	-22.6	0	0	0	108.5	T86 E90 C91	T86-D88 PolarHBondContact O-N 3.28Å; D88-E90 PolarHBondContact O-N 2.88Å; D88-C91 PolarHBondContact O-N 3.46Å
89	E	30.3	Very low	31.8	Very low	171 Å²	171	101 Å²	101	80%	0.799	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-14.9	172.9	-155.3	169.4	-173	0	0	114	T93	E89-T93 PolarHBondContact O-OG1 3.42Å
90	E	33.1	Very low	31.3	Very low	153 Å²	153	102.1 Å²	102.1	72%	0.715	54%	0.536	S	S	*	.	H	α-helix	trans	-64.8	-37.4	176.6	-75.9	-168.2	148.1	0	0	114.4	D88 A92 T93	D88-E90 PolarHBondContact O-N 2.88Å; E90-A92 PolarHBondContact O-N 2.78Å; E90-T93 PolarHBondContact O-N 2.86Å
91	C	29.7	Very low	31	Very low	44 Å²	44	106 Å²	106	30%	0.297	55%	0.551	S	S	.	*	H	α-helix	trans	-72	-31.7	-176.1	-88.1	0	0	0	0	113.1	D88 T93	D88-C91 PolarHBondContact O-N 3.46Å; C91-T93 VanDerWaalsContact C-N 3.29Å; C91-T93 PolarHBondContact O-N 3.11Å
92	A	28.6	Very low	31.2	Very low	69 Å²	69	102.1 Å²	102.1	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-73	-23.7	177.2	0	0	0	0	0	112.7	E90	E90-A92 PolarHBondContact O-N 2.78Å
93	T	28.1	Very low	31.4	Very low	72 Å²	72	107.5 Å²	107.5	44%	0.442	56%	0.558	S	S	.	*	H	α-helix	trans	-78.5	-31.3	-178.2	-53.4	0	0	0	0	112.1	E89 E90 C91 V95 K96	E89-T93 PolarHBondContact O-OG1 3.42Å; E90-T93 PolarHBondContact O-N 2.86Å; C91-T93 VanDerWaalsContact C-N 3.29Å; C91-T93 PolarHBondContact O-N 3.11Å; T93-V95 VanDerWaalsContact C-N 3.3Å; T93-V95 PolarHBondContact O-N 3.06Å; T93-K96 PolarHBondContact O-N 2.99Å
94	L	28.1	Very low	32	Very low	63 Å²	63	104.7 Å²	104.7	33%	0.33	55%	0.552	S	S	.	*	H	α-helix	trans	-58.5	-35.4	178.7	-83.5	161.3	0	0	0	113.9	V138 Y142	L94-V138 HydrophobicContact CD2-CG1 4.15Å; L94-Y142 HydrophobicContact CD2-CD2 4.11Å; L94-Y142 HydrophobicContact CD2-CE2 4.14Å
95	V	29.7	Very low	32.5	Very low	56 Å²	56	103.9 Å²	103.9	34%	0.339	54%	0.539	S	S	.	.	H	α-helix	trans	-85.7	-27.7	-175.5	-177.3	0	0	0	0	112.3	E61 T93 H97	E61-V95 WeakPolarHBondContact OE1-CG2 3.29Å; T93-V95 VanDerWaalsContact C-N 3.3Å; T93-V95 PolarHBondContact O-N 3.06Å; V95-H97 PolarHBondContact O-N 3.29Å
96	K	26.6	Very low	33	Very low	153 Å²	153	102.1 Å²	102.1	67%	0.665	52%	0.518	S	S	*	.	H	α-helix	trans	-74.4	-24.6	-172.6	-87.4	-176.3	173.5	177.3	0	114.8	T93 P100	T93-K96 PolarHBondContact O-N 2.99Å; K96-P100 WeakPolarHBondContact O-CB 3.46Å
97	H	26.4	Very low	33.3	Very low	136 Å²	136	102 Å²	102	63%	0.63	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.3	-158.2	-103.9	-60.4	0	0	0	117.7	V95	V95-H97 PolarHBondContact O-N 3.29Å
98	K	32.5	Very low	33.9	Very low	126 Å²	126	98 Å²	98	55%	0.548	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-35.7	178.5	-140	178.3	-177.5	-177.4	0	114.5
99	Y	32.9	Very low	34.3	Very low	103 Å²	103	96.1 Å²	96.1	40%	0.404	48%	0.483	S	S	.	.			trans	-140.6	80.6	172	-54.3	-84.9	0	0	0	110.1	N101 Y106	Y99-N101 PolarHBondContact O-N 3.23Å; Y99-Y106 HydrophobicContact CD2-CD2 4.28Å; Y99-Y106 AromaticContact CD2-CE2 3.52Å; Y99-Y106 HydrophobicContact CD2-CE2 3.52Å; Y99-Y106 AromaticContact CD2-CZ 3.67Å; Y99-Y106 HydrophobicContact CG-CE2 4.06Å
100	P	33.3	Very low	34.9	Very low	87 Å²	87	89.7 Å²	89.7	57%	0.565	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.5	-172	20.4	-31.8	0	0	0	114	K96	K96-P100 WeakPolarHBondContact O-CB 3.46Å
101	N	34.9	Very low	35.2	Very low	154 Å²	154	83 Å²	83	82%	0.824	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	4.2	-169.6	-64	-28.4	0	0	0	114.8	Y99	Y99-N101 PolarHBondContact O-N 3.23Å
102	D	38.9	Very low	36	Very low	72 Å²	72	84.8 Å²	84.8	39%	0.385	43%	0.427	S	S	.	.			trans	-123.2	65.6	-176.4	-155.6	-16.3	0	0	0	112.4	Q104 H105 Y106	D102-Q104 PolarHBondContact O-N 3.4Å; D102-Q104 PolarHBondContact OD1-N 2.78Å; D102-H105 HydrophobicContact CB-CB 3.96Å; D102-H105 PolarHBondContact O-N 2.76Å; D102-H105 WeakPolarHBondContact OD1-CB 3.02Å; D102-H105 PolarHBondContact OD1-N 2.72Å; D102-H105 WeakPolarHBondContact OD2-CB 3.41Å; D102-Y106 PolarHBondContact O-N 3.15Å
103	K	38.3	Very low	36.6	Very low	167 Å²	167	87.6 Å²	87.6	73%	0.726	42%	0.423	S	S	*	.	H	α-helix	trans	-56.3	-31.2	171.8	-69	-177.1	177.2	-177.1	0	111.8	I107	K103-I107 VanDerWaalsContact O-CG1 3.31Å; K103-I107 WeakPolarHBondContact O-CG1 3.47Å; K103-I107 PolarHBondContact O-N 2.82Å
104	Q	42.9	Very low	37.2	Very low	90 Å²	90	85.2 Å²	85.2	42%	0.421	41%	0.408	S	S	.	.	H	α-helix	trans	-70.8	-44.8	-178.5	-172.7	59.6	46.8	0	0	110.6	D102 Y106 I107 D108	D102-Q104 PolarHBondContact O-N 3.4Å; D102-Q104 PolarHBondContact OD1-N 2.78Å; Q104-Y106 VanDerWaalsContact C-N 3.3Å; Q104-Y106 PolarHBondContact O-N 2.75Å; Q104-I107 CarbonylContact O-C 3.34Å; Q104-I107 PolarHBondContact O-N 3.49Å; Q104-I107 VanDerWaalsContact O-N 3.1Å; Q104-D108 PolarHBondContact NE2-OD1 2.72Å; Q104-D108 PolarHBondContact NE2-OD2 3.49Å; Q104-D108 WeakPolarHBondContact O-CB 3.17Å; Q104-D108 VanDerWaalsContact O-CG 3.22Å; Q104-D108 PolarHBondContact O-N 3.29Å
105	H	41	Very low	37.9	Very low	77 Å²	77	89 Å²	89	36%	0.356	42%	0.418	S	S	.	.	H	α-helix	trans	-58.3	-39.6	175.4	-176.1	77	0	0	0	112.9	D102 D108 M109	D102-H105 HydrophobicContact CB-CB 3.96Å; D102-H105 PolarHBondContact O-N 2.76Å; D102-H105 WeakPolarHBondContact OD1-CB 3.02Å; D102-H105 PolarHBondContact OD1-N 2.72Å; D102-H105 WeakPolarHBondContact OD2-CB 3.41Å; H105-D108 PolarHBondContact O-N 3.42Å; H105-M109 WeakPolarHBondContact O-CB 3.35Å; H105-M109 PolarHBondContact O-N 3.48Å
106	Y	39	Very low	38.5	Very low	33 Å²	33	89.8 Å²	89.8	13%	0.129	42%	0.418	C	S	.	.	H	α-helix	trans	-62.7	-45.6	173.9	-93.5	-73.5	0	0	0	112.5	Y99 D102 Q104 D108 M109 W110	Y99-Y106 HydrophobicContact CD2-CD2 4.28Å; Y99-Y106 AromaticContact CD2-CE2 3.52Å; Y99-Y106 HydrophobicContact CD2-CE2 3.52Å; Y99-Y106 AromaticContact CD2-CZ 3.67Å; Y99-Y106 HydrophobicContact CG-CE2 4.06Å; D102-Y106 PolarHBondContact O-N 3.15Å; Q104-Y106 VanDerWaalsContact C-N 3.3Å; Q104-Y106 PolarHBondContact O-N 2.75Å; Y106-D108 VanDerWaalsContact C-N 3.31Å; Y106-D108 PolarHBondContact O-N 2.8Å; Y106-M109 HydrophobicContact CD1-CE 3.61Å; Y106-M109 HydrophobicContact CE1-CE 3.88Å; Y106-M109 PolarHBondContact O-N 3.39Å; Y106-W110 WeakPolarHBondContact O-CB 3.3Å; Y106-W110 PolarHBondContact O-N 2.91Å
107	I	41.5	Very low	39.1	Very low	38 Å²	38	82.7 Å²	82.7	20%	0.195	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-38.9	177.7	-69.8	168.3	0	0	0	110.9	V65 K68 K103 Q104 G111	V65-I107 HydrophobicContact CG2-CG1 4.31Å; V65-I107 HydrophobicContact CG2-CG2 4.24Å; K68-I107 HydrophobicContact CD-CD1 4.1Å; K68-I107 HydrophobicContact CD-CG2 4.05Å; K68-I107 VanDerWaalsContact CE-CD1 3.44Å; K68-I107 VanDerWaalsContact NZ-CD1 3.25Å; K103-I107 VanDerWaalsContact O-CG1 3.31Å; K103-I107 WeakPolarHBondContact O-CG1 3.47Å; K103-I107 PolarHBondContact O-N 2.82Å; Q104-I107 CarbonylContact O-C 3.34Å; Q104-I107 PolarHBondContact O-N 3.49Å; Q104-I107 VanDerWaalsContact O-N 3.1Å; I107-G111 VanDerWaalsContact O-CA 3.3Å; I107-G111 WeakPolarHBondContact O-CA 3.23Å; I107-G111 PolarHBondContact O-N 3Å
108	D	43.2	Very low	39.7	Very low	78 Å²	78	79.9 Å²	79.9	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-70.7	-42.4	179.1	-67.4	-21.1	0	0	0	111.2	Q104 H105 Y106 G111 E112	Q104-D108 PolarHBondContact NE2-OD1 2.72Å; Q104-D108 PolarHBondContact NE2-OD2 3.49Å; Q104-D108 WeakPolarHBondContact O-CB 3.17Å; Q104-D108 VanDerWaalsContact O-CG 3.22Å; Q104-D108 PolarHBondContact O-N 3.29Å; H105-D108 PolarHBondContact O-N 3.42Å; Y106-D108 VanDerWaalsContact C-N 3.31Å; Y106-D108 PolarHBondContact O-N 2.8Å; D108-G111 PolarHBondContact O-N 3.37Å; D108-E112 WeakPolarHBondContact O-CB 3.36Å; D108-E112 PolarHBondContact O-N 3.3Å
109	M	41.8	Very low	40	Very low	77 Å²	77	81.3 Å²	81.3	38%	0.379	38%	0.384	S	S	.	.	H	α-helix	trans	-63.8	-49.2	176.6	179.5	-172.8	58.8	0	0	111.3	H105 Y106 Y113	H105-M109 WeakPolarHBondContact O-CB 3.35Å; H105-M109 PolarHBondContact O-N 3.48Å; Y106-M109 HydrophobicContact CD1-CE 3.61Å; Y106-M109 HydrophobicContact CE1-CE 3.88Å; Y106-M109 PolarHBondContact O-N 3.39Å; M109-Y113 WeakPolarHBondContact O-CB 3.32Å; M109-Y113 PolarHBondContact O-N 3.4Å
110	W	41.7	Very low	40.3	Very low	36 Å²	36	82 Å²	82	14%	0.136	39%	0.389	C	S	.	.	H	α-helix	trans	-68.5	-39.4	176.7	-78	120.3	0	0	0	111.8	E61 Y106 E112 Y113 L114 V131 Y134	E61-W110 PolarHBondContact OE2-NE1 3.49Å; Y106-W110 WeakPolarHBondContact O-CB 3.3Å; Y106-W110 PolarHBondContact O-N 2.91Å; W110-E112 PolarHBondContact O-N 3.15Å; W110-Y113 PolarHBondContact O-N 3.31Å; W110-L114 WeakPolarHBondContact O-CB 3.36Å; W110-L114 WeakPolarHBondContact O-CG 3.49Å; W110-L114 PolarHBondContact O-N 2.92Å; W110-V131 HydrophobicContact CE3-CG2 4.49Å; W110-V131 HydrophobicContact CH2-CG1 4.39Å; W110-V131 HydrophobicContact CH2-CG2 4.14Å; W110-V131 HydrophobicContact CZ3-CG2 3.66Å; W110-Y134 AromaticContact CH2-CD1 3.88Å; W110-Y134 HydrophobicContact CH2-CD1 3.88Å; W110-Y134 HydrophobicContact CH2-CE1 4.33Å; W110-Y134 HydrophobicContact CZ2-CD1 4Å; W110-Y134 HydrophobicContact CZ2-CE1 4.04Å
111	G	40.7	Very low	40.6	Very low	11 Å²	11	82.3 Å²	82.3	11%	0.113	39%	0.386	C	S	.	.	H	α-helix	trans	-59.1	-45.5	174.7	0	0	0	0	0	111.9	I107 D108 R115	I107-G111 VanDerWaalsContact O-CA 3.3Å; I107-G111 WeakPolarHBondContact O-CA 3.23Å; I107-G111 PolarHBondContact O-N 3Å; D108-G111 PolarHBondContact O-N 3.37Å; G111-R115 WeakPolarHBondContact O-CB 3.24Å; G111-R115 WeakPolarHBondContact O-CG 3.14Å; G111-R115 PolarHBondContact O-N 2.82Å
112	E	45	Very low	40.7	Very low	83 Å²	83	80.9 Å²	80.9	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-68.3	-39.1	173.7	-80.3	-60.9	138.3	0	0	112.3	D108 W110 L114 R115 E116 R119	D108-E112 WeakPolarHBondContact O-CB 3.36Å; D108-E112 PolarHBondContact O-N 3.3Å; W110-E112 PolarHBondContact O-N 3.15Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 2.76Å; E112-R115 PolarHBondContact O-N 2.77Å; E112-R115 IonicContact OE1-CZ 2.71Å; E112-R115 IonicContact OE1-NE 3.65Å; E112-R115 IonicContact OE1-NH1 3.79Å; E112-R115 PolarHBondContact OE1-NH1 3.5Å; E112-E116 WeakPolarHBondContact O-CB 3.23Å; E112-E116 PolarHBondContact O-N 3.02Å; E112-R119 IonicContact OE2-NH1 3.15Å
113	Y	41.6	Very low	40.6	Very low	127 Å²	127	81.6 Å²	81.6	50%	0.498	37%	0.374	S	S	.	.	H	α-helix	trans	-62.1	-43.5	176.2	-160.4	-88.2	0	0	0	111.6	M109 W110 A117 L127	M109-Y113 WeakPolarHBondContact O-CB 3.32Å; M109-Y113 PolarHBondContact O-N 3.4Å; W110-Y113 PolarHBondContact O-N 3.31Å; Y113-A117 VanDerWaalsContact O-CB 3.23Å; Y113-A117 WeakPolarHBondContact O-CB 3.47Å; Y113-A117 PolarHBondContact O-N 2.88Å; Y113-L127 HydrophobicContact CD1-CD2 4.22Å; Y113-L127 HydrophobicContact CE1-CD2 4.26Å
114	L	40.8	Very low	40.7	Very low	22 Å²	22	76.3 Å²	76.3	12%	0.115	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-45.1	175	-69.3	174.7	0	0	0	111.2	L62 V65 W110 E112 E116 A117 C118 W124 L127	L62-L114 HydrophobicContact CD1-CD1 4.2Å; V65-L114 HydrophobicContact CG1-CD1 4.14Å; W110-L114 WeakPolarHBondContact O-CB 3.36Å; W110-L114 WeakPolarHBondContact O-CG 3.49Å; W110-L114 PolarHBondContact O-N 2.92Å; E112-L114 VanDerWaalsContact C-N 3.34Å; E112-L114 PolarHBondContact O-N 2.76Å; L114-E116 PolarHBondContact O-N 3.28Å; L114-A117 PolarHBondContact O-N 2.85Å; L114-C118 WeakPolarHBondContact O-CB 2.99Å; L114-C118 PolarHBondContact O-N 3.25Å; L114-C118 PolarHBondContact O-SG 3.46Å; L114-W124 HydrophobicContact CD1-CH2 4.47Å; L114-W124 HydrophobicContact CD2-CH2 3.68Å; L114-W124 HydrophobicContact CD2-CZ3 3.63Å; L114-L127 HydrophobicContact CD2-CD1 4.29Å; L114-L127 HydrophobicContact CD2-CD2 4.03Å
115	R	43.4	Very low	40.4	Very low	144 Å²	144	75.8 Å²	75.8	54%	0.543	35%	0.349	S	S	.	.	H	α-helix	trans	-60.4	-45.7	175.1	-75.8	172.1	-157.9	177.9	2.5	112	G111 E112 A117 C118 R119	G111-R115 WeakPolarHBondContact O-CB 3.24Å; G111-R115 WeakPolarHBondContact O-CG 3.14Å; G111-R115 PolarHBondContact O-N 2.82Å; E112-R115 PolarHBondContact O-N 2.77Å; E112-R115 IonicContact OE1-CZ 2.71Å; E112-R115 IonicContact OE1-NE 3.65Å; E112-R115 IonicContact OE1-NH1 3.79Å; E112-R115 PolarHBondContact OE1-NH1 3.5Å; R115-A117 VanDerWaalsContact C-N 3.31Å; R115-C118 WeakPolarHBondContact O-CB 3.18Å; R115-C118 PolarHBondContact O-N 3.37Å; R115-R119 WeakPolarHBondContact O-CG 3.36Å; R115-R119 PolarHBondContact O-N 3.19Å
116	E	42.6	Very low	40.2	Very low	71 Å²	71	74.9 Å²	74.9	33%	0.332	35%	0.349	S	S	.	.	H	α-helix	trans	-66.7	-37.3	-179.2	-174.2	61.8	-167.9	0	0	111.1	E112 L114 R119 K120	E112-E116 WeakPolarHBondContact O-CB 3.23Å; E112-E116 PolarHBondContact O-N 3.02Å; L114-E116 PolarHBondContact O-N 3.28Å; E116-R119 WeakPolarHBondContact O-CB 3.2Å; E116-R119 PolarHBondContact O-N 3.37Å; E116-R119 WeakPolarHBondContact OE2-CD 3.17Å; E116-R119 IonicContact OE2-NH1 3.56Å; E116-R119 PolarHBondContact OE2-NH1 2.96Å; E116-R119 VanDerWaalsContact OE2-NH1 3.15Å; E116-K120 HydrophobicContact CG-CD 4.3Å; E116-K120 WeakPolarHBondContact O-CB 3.33Å; E116-K120 WeakPolarHBondContact O-CG 3.13Å; E116-K120 PolarHBondContact O-N 3.28Å; E116-K120 WeakPolarHBondContact OE1-CE 3.23Å; E116-K120 IonicContact OE1-NZ 3.2Å
117	A	38.6	Very low	40.2	Very low	5 Å²	5	73.5 Å²	73.5	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-69.8	-37.6	174.3	0	0	0	0	0	113	Y113 L114 R115 K120 N121 Y122 L127	Y113-A117 VanDerWaalsContact O-CB 3.23Å; Y113-A117 WeakPolarHBondContact O-CB 3.47Å; Y113-A117 PolarHBondContact O-N 2.88Å; L114-A117 PolarHBondContact O-N 2.85Å; R115-A117 VanDerWaalsContact C-N 3.31Å; A117-K120 CarbonylContact O-C 3.52Å; A117-K120 PolarHBondContact O-N 2.88Å; A117-N121 PolarHBondContact O-N 3.21Å; A117-Y122 HydrophobicContact CB-CD2 3.92Å; A117-Y122 PolarHBondContact O-N 3.2Å; A117-L127 HydrophobicContact CB-CD1 3.57Å; A117-L127 HydrophobicContact CB-CD2 3.06Å; A117-L127 HydrophobicContact CB-CG 3.43Å; A117-L127 VanDerWaalsContact CB-CG 3.43Å
118	C	38.5	Very low	40	Very low	76 Å²	76	72.7 Å²	72.7	51%	0.514	34%	0.34	S	S	.	.	H	α-helix	trans	-59.6	-44.5	167.4	-70.5	0	0	0	0	111.2	L114 R115 K120 N121	L114-C118 WeakPolarHBondContact O-CB 2.99Å; L114-C118 PolarHBondContact O-N 3.25Å; L114-C118 PolarHBondContact O-SG 3.46Å; R115-C118 WeakPolarHBondContact O-CB 3.18Å; R115-C118 PolarHBondContact O-N 3.37Å; C118-K120 VanDerWaalsContact C-N 3.29Å; C118-K120 PolarHBondContact O-N 2.71Å; C118-N121 PolarHBondContact O-N 3.14Å; C118-N121 VanDerWaalsContact O-N 3.11Å
119	R	39.9	Very low	39.8	Very low	156 Å²	156	75 Å²	75	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-61.3	-37.3	175.4	-74.8	179.8	-171.8	129.5	2.7	112.3	E112 R115 E116 N121	E112-R119 IonicContact OE2-NH1 3.15Å; R115-R119 WeakPolarHBondContact O-CG 3.36Å; R115-R119 PolarHBondContact O-N 3.19Å; E116-R119 WeakPolarHBondContact O-CB 3.2Å; E116-R119 PolarHBondContact O-N 3.37Å; E116-R119 WeakPolarHBondContact OE2-CD 3.17Å; E116-R119 IonicContact OE2-NH1 3.56Å; E116-R119 PolarHBondContact OE2-NH1 2.96Å; E116-R119 VanDerWaalsContact OE2-NH1 3.15Å; R119-N121 PolarHBondContact O-N 3.38Å
120	K	39.7	Very low	39.5	Very low	117 Å²	117	73 Å²	73	51%	0.509	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	3	177.9	-73.4	177.7	177.3	166.8	0	113.5	E116 A117 C118 Y122	E116-K120 HydrophobicContact CG-CD 4.3Å; E116-K120 WeakPolarHBondContact O-CB 3.33Å; E116-K120 WeakPolarHBondContact O-CG 3.13Å; E116-K120 PolarHBondContact O-N 3.28Å; E116-K120 WeakPolarHBondContact OE1-CE 3.23Å; E116-K120 IonicContact OE1-NZ 3.2Å; A117-K120 CarbonylContact O-C 3.52Å; A117-K120 PolarHBondContact O-N 2.88Å; C118-K120 VanDerWaalsContact C-N 3.29Å; C118-K120 PolarHBondContact O-N 2.71Å; K120-Y122 HydrophobicContact CB-CD2 3.74Å; K120-Y122 HydrophobicContact CB-CE2 3.61Å; K120-Y122 HydrophobicContact CB-CG 4.43Å; K120-Y122 HydrophobicContact CD-CD2 4.41Å; K120-Y122 HydrophobicContact CD-CE2 3.59Å; K120-Y122 HydrophobicContact CG-CE2 4.24Å; K120-Y122 PolarHBondContact O-N 3.08Å
121	N	39.1	Very low	39.5	Very low	94 Å²	94	72.1 Å²	72.1	50%	0.503	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	32.7	-175.7	-77.4	-27.5	0	0	0	112.9	A117 C118 R119 D123	A117-N121 PolarHBondContact O-N 3.21Å; C118-N121 PolarHBondContact O-N 3.14Å; C118-N121 VanDerWaalsContact O-N 3.11Å; R119-N121 PolarHBondContact O-N 3.38Å; N121-D123 PolarHBondContact O-N 3.27Å
122	Y	36.2	Very low	39.5	Very low	125 Å²	125	73.9 Å²	73.9	49%	0.49	34%	0.343	S	S	.	.			trans	-66.5	129.7	167.1	-69.4	-53.9	0	0	0	107.9	A117 K120 T126	A117-Y122 HydrophobicContact CB-CD2 3.92Å; A117-Y122 PolarHBondContact O-N 3.2Å; K120-Y122 HydrophobicContact CB-CD2 3.74Å; K120-Y122 HydrophobicContact CB-CE2 3.61Å; K120-Y122 HydrophobicContact CB-CG 4.43Å; K120-Y122 HydrophobicContact CD-CD2 4.41Å; K120-Y122 HydrophobicContact CD-CE2 3.59Å; K120-Y122 HydrophobicContact CG-CE2 4.24Å; K120-Y122 PolarHBondContact O-N 3.08Å; Y122-T126 HydrophobicContact CD1-CG2 3.89Å; Y122-T126 HydrophobicContact CG-CG2 4.23Å
123	D	38.2	Very low	39	Very low	86 Å²	86	74.4 Å²	74.4	46%	0.46	35%	0.348	S	S	.	.			trans	-59.3	147.5	168.8	62.6	56.1	0	0	0	109.4	N121 L125 T126 L127	N121-D123 PolarHBondContact O-N 3.27Å; D123-L125 PolarHBondContact O-N 2.85Å; D123-L125 VanDerWaalsContact O-N 3.08Å; D123-L125 VanDerWaalsContact OD1-CB 3.31Å; D123-L125 WeakPolarHBondContact OD1-CB 3.38Å; D123-L125 PolarHBondContact OD1-N 3.29Å; D123-T126 VanDerWaalsContact CG-OG1 3.26Å; D123-T126 WeakPolarHBondContact O-CB 3.08Å; D123-T126 PolarHBondContact O-N 3.12Å; D123-T126 WeakPolarHBondContact OD1-CB 3.14Å; D123-T126 PolarHBondContact OD1-N 2.86Å; D123-T126 PolarHBondContact OD1-OG1 3.09Å; D123-T126 PolarHBondContact OD2-OG1 3.27Å; D123-L127 PolarHBondContact O-N 3.32Å; D123-L127 VanDerWaalsContact O-N 3.14Å
124	W	39.4	Very low	38.7	Very low	57 Å²	57	73.3 Å²	73.3	22%	0.216	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-25.3	-177.3	-178.1	-101.8	0	0	0	112.6	W44 L62 L114 L127 M128	W44-W124 AromaticContact CD2-CD1 3.97Å; W44-W124 AromaticContact CE2-CD1 3.89Å; W44-W124 AromaticContact CE3-CD1 3.78Å; W44-W124 HydrophobicContact CH2-CB 4.02Å; W44-W124 AromaticContact CH2-CD1 3.5Å; W44-W124 VanDerWaalsContact CH2-CD1 3.5Å; W44-W124 HydrophobicContact CH2-CG 4.15Å; W44-W124 HydrophobicContact CZ2-CB 3.59Å; W44-W124 AromaticContact CZ2-CD1 3.69Å; W44-W124 HydrophobicContact CZ2-CG 4.01Å; W44-W124 AromaticContact CZ3-CD1 3.54Å; L62-W124 HydrophobicContact CD1-CH2 3.39Å; L62-W124 HydrophobicContact CD1-CZ2 3.44Å; L62-W124 VanDerWaalsContact CD1-CZ2 3.44Å; L62-W124 HydrophobicContact CD2-CH2 4.47Å; L62-W124 HydrophobicContact CD2-CZ2 3.68Å; L62-W124 HydrophobicContact CG-CH2 4.35Å; L62-W124 HydrophobicContact CG-CZ2 4.04Å; L114-W124 HydrophobicContact CD1-CH2 4.47Å; L114-W124 HydrophobicContact CD2-CH2 3.68Å; L114-W124 HydrophobicContact CD2-CZ3 3.63Å; W124-L127 HydrophobicContact CE3-CB 4.31Å; W124-L127 HydrophobicContact CE3-CD1 3.58Å; W124-L127 HydrophobicContact CZ3-CD1 3.88Å; W124-L127 WeakPolarHBondContact O-CB 3.33Å; W124-L127 PolarHBondContact O-N 3.23Å; W124-M128 HydrophobicContact CZ2-SD 4.12Å; W124-M128 WeakPolarHBondContact O-CB 3.38Å; W124-M128 VanDerWaalsContact O-CG 3.31Å; W124-M128 WeakPolarHBondContact O-CG 3.44Å; W124-M128 PolarHBondContact O-N 3.04Å
125	L	36.7	Very low	38.7	Very low	78 Å²	78	74.2 Å²	74.2	41%	0.408	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-42.3	174.2	-163.4	77	0	0	0	111.3	W44 D123 L127 M128 Y129	W44-L125 HydrophobicContact CH2-CB 4.18Å; W44-L125 HydrophobicContact CH2-CD1 4.2Å; D123-L125 PolarHBondContact O-N 2.85Å; D123-L125 VanDerWaalsContact O-N 3.08Å; D123-L125 VanDerWaalsContact OD1-CB 3.31Å; D123-L125 WeakPolarHBondContact OD1-CB 3.38Å; D123-L125 PolarHBondContact OD1-N 3.29Å; L125-L127 VanDerWaalsContact C-N 3.32Å; L125-M128 PolarHBondContact O-N 2.89Å; L125-Y129 HydrophobicContact CD1-CE2 4.32Å; L125-Y129 HydrophobicContact CD2-CD2 4.42Å; L125-Y129 HydrophobicContact CD2-CE2 3.76Å; L125-Y129 HydrophobicContact CG-CD2 3.92Å; L125-Y129 HydrophobicContact CG-CE2 3.61Å; L125-Y129 WeakPolarHBondContact O-CB 3.34Å; L125-Y129 WeakPolarHBondContact O-CD2 3.5Å; L125-Y129 PolarHBondContact O-N 3.09Å
126	T	37.5	Very low	38.7	Very low	58 Å²	58	72.6 Å²	72.6	36%	0.356	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-38.5	174.8	-59.8	0	0	0	0	111.1	Y122 D123 Y129 A130	Y122-T126 HydrophobicContact CD1-CG2 3.89Å; Y122-T126 HydrophobicContact CG-CG2 4.23Å; D123-T126 VanDerWaalsContact CG-OG1 3.26Å; D123-T126 WeakPolarHBondContact O-CB 3.08Å; D123-T126 PolarHBondContact O-N 3.12Å; D123-T126 WeakPolarHBondContact OD1-CB 3.14Å; D123-T126 PolarHBondContact OD1-N 2.86Å; D123-T126 PolarHBondContact OD1-OG1 3.09Å; D123-T126 PolarHBondContact OD2-OG1 3.27Å; T126-Y129 PolarHBondContact O-N 2.65Å; T126-A130 WeakPolarHBondContact O-CB 3.33Å; T126-A130 PolarHBondContact O-N 3.46Å
127	L	37.5	Very low	38.2	Very low	5 Å²	5	71.4 Å²	71.4	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-49	171.1	-94.2	170	0	0	0	112.2	Y113 L114 A117 D123 W124 L125 Y129 A130 V131	Y113-L127 HydrophobicContact CD1-CD2 4.22Å; Y113-L127 HydrophobicContact CE1-CD2 4.26Å; L114-L127 HydrophobicContact CD2-CD1 4.29Å; L114-L127 HydrophobicContact CD2-CD2 4.03Å; A117-L127 HydrophobicContact CB-CD1 3.57Å; A117-L127 HydrophobicContact CB-CD2 3.06Å; A117-L127 HydrophobicContact CB-CG 3.43Å; A117-L127 VanDerWaalsContact CB-CG 3.43Å; D123-L127 PolarHBondContact O-N 3.32Å; D123-L127 VanDerWaalsContact O-N 3.14Å; W124-L127 HydrophobicContact CE3-CB 4.31Å; W124-L127 HydrophobicContact CE3-CD1 3.58Å; W124-L127 HydrophobicContact CZ3-CD1 3.88Å; W124-L127 WeakPolarHBondContact O-CB 3.33Å; W124-L127 PolarHBondContact O-N 3.23Å; L125-L127 VanDerWaalsContact C-N 3.32Å; L127-Y129 VanDerWaalsContact C-N 3.33Å; L127-Y129 PolarHBondContact O-N 3.32Å; L127-A130 PolarHBondContact O-N 3.34Å; L127-V131 VanDerWaalsContact O-CG2 3.26Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 2.74Å
128	M	39	Very low	38.1	Very low	21 Å²	21	72.4 Å²	72.4	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-38.9	176.7	-74.9	-62.3	-59.6	0	0	111.6	Y54 L62 W124 L125 V131 E132	Y54-M128 HydrophobicContact CD1-CE 3.69Å; Y54-M128 HydrophobicContact CD2-CE 4.37Å; Y54-M128 HydrophobicContact CE1-CE 3.84Å; Y54-M128 HydrophobicContact CG-CE 4.01Å; L62-M128 HydrophobicContact CD2-SD 4.4Å; W124-M128 HydrophobicContact CZ2-SD 4.12Å; W124-M128 WeakPolarHBondContact O-CB 3.38Å; W124-M128 VanDerWaalsContact O-CG 3.31Å; W124-M128 WeakPolarHBondContact O-CG 3.44Å; W124-M128 PolarHBondContact O-N 3.04Å; L125-M128 PolarHBondContact O-N 2.89Å; M128-V131 CarbonylContact O-C 3.44Å; M128-V131 PolarHBondContact O-N 2.82Å; M128-E132 WeakPolarHBondContact O-CA 3.31Å; M128-E132 WeakPolarHBondContact O-CB 3.44Å; M128-E132 PolarHBondContact O-N 2.66Å
129	Y	37.9	Very low	38.1	Very low	127 Å²	127	74.1 Å²	74.1	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-39.1	172.8	-82.9	-59	0	0	0	112.1	L125 T126 L127 E132 D133	L125-Y129 HydrophobicContact CD1-CE2 4.32Å; L125-Y129 HydrophobicContact CD2-CD2 4.42Å; L125-Y129 HydrophobicContact CD2-CE2 3.76Å; L125-Y129 HydrophobicContact CG-CD2 3.92Å; L125-Y129 HydrophobicContact CG-CE2 3.61Å; L125-Y129 WeakPolarHBondContact O-CB 3.34Å; L125-Y129 WeakPolarHBondContact O-CD2 3.5Å; L125-Y129 PolarHBondContact O-N 3.09Å; T126-Y129 PolarHBondContact O-N 2.65Å; L127-Y129 VanDerWaalsContact C-N 3.33Å; L127-Y129 PolarHBondContact O-N 3.32Å; Y129-E132 VanDerWaalsContact CD1-OE2 3.29Å; Y129-E132 WeakPolarHBondContact CD1-OE2 3.13Å; Y129-E132 PolarHBondContact O-N 3.3Å; Y129-D133 WeakPolarHBondContact O-CB 3.37Å; Y129-D133 PolarHBondContact O-N 2.89Å
130	A	35.2	Very low	37.9	Very low	34 Å²	34	73.4 Å²	73.4	28%	0.281	35%	0.347	S	S	.	.	H	α-helix	trans	-65.3	-41.3	174.5	0	0	0	0	0	111.6	T126 L127 E132 Y134	T126-A130 WeakPolarHBondContact O-CB 3.33Å; T126-A130 PolarHBondContact O-N 3.46Å; L127-A130 PolarHBondContact O-N 3.34Å; A130-E132 VanDerWaalsContact C-N 3.33Å; A130-Y134 VanDerWaalsContact O-CB 3.25Å; A130-Y134 WeakPolarHBondContact O-CB 3.48Å; A130-Y134 PolarHBondContact O-N 2.83Å
131	V	41.8	Very low	37.6	Very low	17 Å²	17	72.9 Å²	72.9	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-38.8	171.8	173.1	0	0	0	0	110.7	A58 W110 L127 M128 N135	A58-V131 HydrophobicContact CB-CG1 4.4Å; W110-V131 HydrophobicContact CE3-CG2 4.49Å; W110-V131 HydrophobicContact CH2-CG1 4.39Å; W110-V131 HydrophobicContact CH2-CG2 4.14Å; W110-V131 HydrophobicContact CZ3-CG2 3.66Å; L127-V131 VanDerWaalsContact O-CG2 3.26Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 2.74Å; M128-V131 CarbonylContact O-C 3.44Å; M128-V131 PolarHBondContact O-N 2.82Å; V131-N135 WeakPolarHBondContact CG1-ND2 3.01Å; V131-N135 VanDerWaalsContact O-CB 3.25Å; V131-N135 WeakPolarHBondContact O-CB 3.34Å; V131-N135 PolarHBondContact O-N 3.31Å; V131-N135 PolarHBondContact O-ND2 3.39Å
132	E	40.6	Very low	37.4	Very low	49 Å²	49	71.8 Å²	71.8	23%	0.229	33%	0.331	C	S	.	.	H	α-helix	trans	-68.3	-48.7	178.8	-171.6	-168.5	165.2	0	0	111.5	M128 Y129 A130 Y134 N135 R136	M128-E132 WeakPolarHBondContact O-CA 3.31Å; M128-E132 WeakPolarHBondContact O-CB 3.44Å; M128-E132 PolarHBondContact O-N 2.66Å; Y129-E132 VanDerWaalsContact CD1-OE2 3.29Å; Y129-E132 WeakPolarHBondContact CD1-OE2 3.13Å; Y129-E132 PolarHBondContact O-N 3.3Å; A130-E132 VanDerWaalsContact C-N 3.33Å; E132-Y134 VanDerWaalsContact C-N 3.29Å; E132-Y134 PolarHBondContact O-N 3.42Å; E132-N135 CarbonylContact O-C 3.55Å; E132-N135 PolarHBondContact O-N 3.35Å; E132-R136 WeakPolarHBondContact O-CB 3.35Å; E132-R136 PolarHBondContact O-N 3.27Å; E132-R136 IonicContact OE1-CZ 2.72Å; E132-R136 IonicContact OE1-NH2 3.93Å; E132-R136 PolarHBondContact OE1-NH2 3Å
133	D	36	Very low	37.5	Very low	93 Å²	93	71.6 Å²	71.6	50%	0.497	33%	0.333	S	S	.	.	H	α-helix	trans	-64	-37.5	176.4	-86	-18.5	0	0	0	110.5	Y129 R136 A137	Y129-D133 WeakPolarHBondContact O-CB 3.37Å; Y129-D133 PolarHBondContact O-N 2.89Å; D133-R136 PolarHBondContact O-N 3.09Å; D133-R136 IonicContact OD1-NH1 3.6Å; D133-A137 WeakPolarHBondContact O-CB 3.46Å; D133-A137 PolarHBondContact O-N 2.81Å
134	Y	34.4	Very low	37.2	Very low	104 Å²	104	72.5 Å²	72.5	41%	0.408	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-49.9	170.4	-176.5	-100.7	0	0	0	111.7	W110 A130 E132 R136 A137 V138	W110-Y134 AromaticContact CH2-CD1 3.88Å; W110-Y134 HydrophobicContact CH2-CD1 3.88Å; W110-Y134 HydrophobicContact CH2-CE1 4.33Å; W110-Y134 HydrophobicContact CZ2-CD1 4Å; W110-Y134 HydrophobicContact CZ2-CE1 4.04Å; A130-Y134 VanDerWaalsContact O-CB 3.25Å; A130-Y134 WeakPolarHBondContact O-CB 3.48Å; A130-Y134 PolarHBondContact O-N 2.83Å; E132-Y134 VanDerWaalsContact C-N 3.29Å; E132-Y134 PolarHBondContact O-N 3.42Å; Y134-R136 VanDerWaalsContact C-N 3.25Å; Y134-R136 PolarHBondContact O-N 2.76Å; Y134-A137 PolarHBondContact O-N 3.31Å; Y134-V138 HydrophobicContact CD1-CG2 3.9Å; Y134-V138 HydrophobicContact CD2-CG2 4.34Å; Y134-V138 HydrophobicContact CE1-CG2 3.55Å; Y134-V138 HydrophobicContact CE2-CG2 4Å; Y134-V138 HydrophobicContact CG-CG2 4.29Å; Y134-V138 VanDerWaalsContact O-CB 3.31Å; Y134-V138 WeakPolarHBondContact O-CB 3.41Å; Y134-V138 WeakPolarHBondContact O-CG2 3.4Å; Y134-V138 PolarHBondContact O-N 3.37Å
135	N	40.8	Very low	36.9	Very low	42 Å²	42	71.2 Å²	71.2	23%	0.225	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-35.7	177.4	-79.4	-37.3	0	0	0	112.2	A58 V131 E132 K139	A58-N135 VanDerWaalsContact CB-ND2 3.29Å; A58-N135 WeakPolarHBondContact CB-ND2 3.31Å; V131-N135 WeakPolarHBondContact CG1-ND2 3.01Å; V131-N135 VanDerWaalsContact O-CB 3.25Å; V131-N135 WeakPolarHBondContact O-CB 3.34Å; V131-N135 PolarHBondContact O-N 3.31Å; V131-N135 PolarHBondContact O-ND2 3.39Å; E132-N135 CarbonylContact O-C 3.55Å; E132-N135 PolarHBondContact O-N 3.35Å; N135-K139 VanDerWaalsContact O-CB 3.27Å; N135-K139 WeakPolarHBondContact O-CB 3.49Å; N135-K139 VanDerWaalsContact O-CG 3.23Å; N135-K139 WeakPolarHBondContact O-CG 3.19Å; N135-K139 PolarHBondContact O-N 2.9Å
136	R	42.5	Very low	36.7	Very low	110 Å²	110	71.6 Å²	71.6	42%	0.415	34%	0.339	S	S	.	.	H	α-helix	trans	-71.5	-43.4	176.6	-170.7	-175.2	-68.3	176.4	-7.1	110.6	E132 D133 Y134 K139 R140	E132-R136 WeakPolarHBondContact O-CB 3.35Å; E132-R136 PolarHBondContact O-N 3.27Å; E132-R136 IonicContact OE1-CZ 2.72Å; E132-R136 IonicContact OE1-NH2 3.93Å; E132-R136 PolarHBondContact OE1-NH2 3Å; D133-R136 PolarHBondContact O-N 3.09Å; D133-R136 IonicContact OD1-NH1 3.6Å; Y134-R136 VanDerWaalsContact C-N 3.25Å; Y134-R136 PolarHBondContact O-N 2.76Å; R136-K139 PolarHBondContact O-N 2.86Å; R136-R140 WeakPolarHBondContact O-CB 2.89Å; R136-R140 VanDerWaalsContact O-CG 3.29Å; R136-R140 WeakPolarHBondContact O-CG 3.31Å; R136-R140 PolarHBondContact O-N 3.04Å
137	A	32.8	Very low	36.6	Very low	45 Å²	45	77.3 Å²	77.3	37%	0.372	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-44.2	173.1	0	0	0	0	0	110.9	D133 Y134 R140 Y141	D133-A137 WeakPolarHBondContact O-CB 3.46Å; D133-A137 PolarHBondContact O-N 2.81Å; Y134-A137 PolarHBondContact O-N 3.31Å; A137-R140 PolarHBondContact O-N 3.4Å; A137-Y141 VanDerWaalsContact O-CB 3.26Å; A137-Y141 WeakPolarHBondContact O-CB 3.37Å; A137-Y141 PolarHBondContact O-N 3.36Å
138	V	35.9	Very low	36.3	Very low	26 Å²	26	80.4 Å²	80.4	16%	0.158	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-47.2	174.8	170.9	0	0	0	0	110.9	L94 Y134 R140 Y141 Y142	L94-V138 HydrophobicContact CD2-CG1 4.15Å; Y134-V138 HydrophobicContact CD1-CG2 3.9Å; Y134-V138 HydrophobicContact CD2-CG2 4.34Å; Y134-V138 HydrophobicContact CE1-CG2 3.55Å; Y134-V138 HydrophobicContact CE2-CG2 4Å; Y134-V138 HydrophobicContact CG-CG2 4.29Å; Y134-V138 VanDerWaalsContact O-CB 3.31Å; Y134-V138 WeakPolarHBondContact O-CB 3.41Å; Y134-V138 WeakPolarHBondContact O-CG2 3.4Å; Y134-V138 PolarHBondContact O-N 3.37Å; V138-R140 VanDerWaalsContact C-N 3.35Å; V138-R140 PolarHBondContact O-N 3.11Å; V138-Y141 PolarHBondContact O-N 2.75Å; V138-Y142 HydrophobicContact CG1-CD2 3.47Å; V138-Y142 VanDerWaalsContact CG1-CD2 3.47Å; V138-Y142 HydrophobicContact CG1-CE2 3.36Å; V138-Y142 WeakPolarHBondContact O-CB 3.41Å; V138-Y142 WeakPolarHBondContact O-CD2 3.3Å; V138-Y142 PolarHBondContact O-N 2.95Å
139	K	39.7	Very low	35.7	Very low	112 Å²	112	83.9 Å²	83.9	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-40.6	174.1	-79.2	175.8	-179.2	177.7	0	112	N135 R136 Y142 K143	N135-K139 VanDerWaalsContact O-CB 3.27Å; N135-K139 WeakPolarHBondContact O-CB 3.49Å; N135-K139 VanDerWaalsContact O-CG 3.23Å; N135-K139 WeakPolarHBondContact O-CG 3.19Å; N135-K139 PolarHBondContact O-N 2.9Å; R136-K139 PolarHBondContact O-N 2.86Å; K139-Y142 PolarHBondContact O-N 2.99Å; K139-K143 VanDerWaalsContact O-CB 3.25Å; K139-K143 WeakPolarHBondContact O-CB 2.86Å; K139-K143 PolarHBondContact O-N 3.38Å
140	R	36	Very low	35.6	Very low	142 Å²	142	82.3 Å²	82.3	54%	0.536	39%	0.387	S	S	.	.	H	α-helix	trans	-64.8	-47.7	175.5	-78.5	179.6	-177.5	-175.9	4.3	111.3	R136 A137 V138 Y142 K143 Y144	R136-R140 WeakPolarHBondContact O-CB 2.89Å; R136-R140 VanDerWaalsContact O-CG 3.29Å; R136-R140 WeakPolarHBondContact O-CG 3.31Å; R136-R140 PolarHBondContact O-N 3.04Å; A137-R140 PolarHBondContact O-N 3.4Å; V138-R140 VanDerWaalsContact C-N 3.35Å; V138-R140 PolarHBondContact O-N 3.11Å; R140-Y142 VanDerWaalsContact C-N 3.33Å; R140-Y142 PolarHBondContact O-N 2.99Å; R140-K143 PolarHBondContact O-N 3.23Å; R140-Y144 WeakPolarHBondContact O-CB 2.83Å; R140-Y144 PolarHBondContact O-N 2.72Å
141	Y	32.7	Very low	35.4	Very low	105 Å²	105	84.9 Å²	84.9	41%	0.412	40%	0.399	S	S	.	.	H	α-helix	trans	-57.4	-45.7	175.2	178.3	-99.3	0	0	0	111	A137 V138 Y144 V145	A137-Y141 VanDerWaalsContact O-CB 3.26Å; A137-Y141 WeakPolarHBondContact O-CB 3.37Å; A137-Y141 PolarHBondContact O-N 3.36Å; V138-Y141 PolarHBondContact O-N 2.75Å; Y141-Y144 WeakPolarHBondContact O-CB 3.41Å; Y141-Y144 PolarHBondContact O-N 2.71Å; Y141-V145 HydrophobicContact CD1-CG2 4.16Å; Y141-V145 HydrophobicContact CD2-CG2 4.49Å; Y141-V145 HydrophobicContact CE1-CG2 3.78Å; Y141-V145 HydrophobicContact CE2-CG2 4.13Å; Y141-V145 WeakPolarHBondContact O-CB 3.45Å; Y141-V145 VanDerWaalsContact O-CG2 3.27Å; Y141-V145 WeakPolarHBondContact O-CG2 3.13Å; Y141-V145 PolarHBondContact O-N 2.95Å
142	Y	34.5	Very low	34.6	Very low	71 Å²	71	86.3 Å²	86.3	28%	0.278	41%	0.406	S	S	.	.	H	α-helix	trans	-71.1	-36.2	177.4	-78.4	-60.3	0	0	0	113.4	L94 V138 K139 R140 Y144 V145 S146	L94-Y142 HydrophobicContact CD2-CD2 4.11Å; L94-Y142 HydrophobicContact CD2-CE2 4.14Å; V138-Y142 HydrophobicContact CG1-CD2 3.47Å; V138-Y142 VanDerWaalsContact CG1-CD2 3.47Å; V138-Y142 HydrophobicContact CG1-CE2 3.36Å; V138-Y142 WeakPolarHBondContact O-CB 3.41Å; V138-Y142 WeakPolarHBondContact O-CD2 3.3Å; V138-Y142 PolarHBondContact O-N 2.95Å; K139-Y142 PolarHBondContact O-N 2.99Å; R140-Y142 VanDerWaalsContact C-N 3.33Å; R140-Y142 PolarHBondContact O-N 2.99Å; Y142-Y144 VanDerWaalsContact C-N 3.27Å; Y142-Y144 PolarHBondContact O-N 3.36Å; Y142-V145 PolarHBondContact O-N 2.71Å; Y142-S146 WeakPolarHBondContact O-CB 3.45Å; Y142-S146 PolarHBondContact O-N 2.79Å
143	K	38.9	Very low	34	Very low	122 Å²	122	88.1 Å²	88.1	53%	0.53	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-37.3	172.3	-171.7	172.1	-175.8	171.9	0	111.1	K139 R140 R147	K139-K143 VanDerWaalsContact O-CB 3.25Å; K139-K143 WeakPolarHBondContact O-CB 2.86Å; K139-K143 PolarHBondContact O-N 3.38Å; R140-K143 PolarHBondContact O-N 3.23Å; K143-R147 VanDerWaalsContact CE-CZ 3.47Å; K143-R147 VanDerWaalsContact O-CB 3.3Å; K143-R147 WeakPolarHBondContact O-CB 3.42Å; K143-R147 WeakPolarHBondContact O-CG 3.48Å; K143-R147 PolarHBondContact O-N 3.05Å
144	Y	32.6	Very low	33.9	Very low	105 Å²	105	89.8 Å²	89.8	41%	0.412	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-55.1	171.3	178.7	-90	0	0	0	110.4	R140 Y141 Y142 S146 R147 H148 L170	R140-Y144 WeakPolarHBondContact O-CB 2.83Å; R140-Y144 PolarHBondContact O-N 2.72Å; Y141-Y144 WeakPolarHBondContact O-CB 3.41Å; Y141-Y144 PolarHBondContact O-N 2.71Å; Y142-Y144 VanDerWaalsContact C-N 3.27Å; Y142-Y144 PolarHBondContact O-N 3.36Å; Y144-S146 VanDerWaalsContact C-N 3.28Å; Y144-S146 PolarHBondContact O-N 2.79Å; Y144-R147 PolarHBondContact O-N 3.19Å; Y144-H148 AromaticContact CD2-CD2 3.33Å; Y144-H148 WeakPolarHBondContact CD2-CD2 3.47Å; Y144-H148 AromaticContact CD2-NE2 3.64Å; Y144-H148 AromaticContact CE2-CD2 3.3Å; Y144-H148 WeakPolarHBondContact CE2-CD2 3.34Å; Y144-H148 AromaticContact CE2-NE2 3.47Å; Y144-H148 WeakPolarHBondContact CE2-NE2 3.48Å; Y144-H148 AromaticContact CG-CD2 3.71Å; Y144-H148 AromaticContact CZ-CD2 3.66Å; Y144-H148 VanDerWaalsContact O-CB 3.32Å; Y144-H148 WeakPolarHBondContact O-CB 3.17Å; Y144-H148 PolarHBondContact O-CD2 3.28Å; Y144-H148 PolarHBondContact O-N 2.86Å; Y144-L170 HydrophobicContact CD2-CD1 3.98Å; Y144-L170 HydrophobicContact CE2-CD1 3.8Å; Y144-L170 HydrophobicContact CG-CD1 4.46Å
145	V	31.5	Very low	33.7	Very low	30 Å²	30	91.9 Å²	91.9	18%	0.182	44%	0.437	C	S	.	.	H	α-helix	trans	-60.8	-34.9	179.5	171.9	0	0	0	0	112.2	Y141 Y142 H148 H149 I152	Y141-V145 HydrophobicContact CD1-CG2 4.16Å; Y141-V145 HydrophobicContact CD2-CG2 4.49Å; Y141-V145 HydrophobicContact CE1-CG2 3.78Å; Y141-V145 HydrophobicContact CE2-CG2 4.13Å; Y141-V145 WeakPolarHBondContact O-CB 3.45Å; Y141-V145 VanDerWaalsContact O-CG2 3.27Å; Y141-V145 WeakPolarHBondContact O-CG2 3.13Å; Y141-V145 PolarHBondContact O-N 2.95Å; Y142-V145 PolarHBondContact O-N 2.71Å; V145-H148 CarbonylContact O-C 3.59Å; V145-H149 WeakPolarHBondContact O-CA 3.23Å; V145-H149 WeakPolarHBondContact O-CB 3.18Å; V145-H149 PolarHBondContact O-N 3.01Å; V145-I152 HydrophobicContact CB-CD1 4.4Å; V145-I152 HydrophobicContact CG1-CD1 4.29Å; V145-I152 HydrophobicContact CG2-CD1 4.23Å
146	S	34.1	Very low	33.2	Very low	86 Å²	86	95.2 Å²	95.2	60%	0.601	45%	0.447	S	S	*	.	H	α-helix	trans	-70.5	-46.1	176.4	173.6	0	0	0	0	111.6	Y142 Y144 H148 H149	Y142-S146 WeakPolarHBondContact O-CB 3.45Å; Y142-S146 PolarHBondContact O-N 2.79Å; Y144-S146 VanDerWaalsContact C-N 3.28Å; Y144-S146 PolarHBondContact O-N 2.79Å; S146-H148 VanDerWaalsContact C-N 3.3Å; S146-H148 PolarHBondContact O-N 2.76Å; S146-H149 WeakPolarHBondContact O-CB 3.49Å; S146-H149 PolarHBondContact O-N 2.75Å
147	R	35.2	Very low	32.7	Very low	178 Å²	178	95.3 Å²	95.3	67%	0.672	46%	0.462	S	S	*	.	H	α-helix	trans	-66.6	-33.4	176.3	-75.2	174.3	172.6	-168.4	-7.3	112.8	K143 Y144	K143-R147 VanDerWaalsContact CE-CZ 3.47Å; K143-R147 VanDerWaalsContact O-CB 3.3Å; K143-R147 WeakPolarHBondContact O-CB 3.42Å; K143-R147 WeakPolarHBondContact O-CG 3.48Å; K143-R147 PolarHBondContact O-N 3.05Å; Y144-R147 PolarHBondContact O-N 3.19Å
148	H	29.6	Very low	32.8	Very low	69 Å²	69	97 Å²	97	32%	0.319	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.6	179.6	-61.9	-69.5	0	0	0	112.3	Y144 V145 S146 T150 V151 I152	Y144-H148 AromaticContact CD2-CD2 3.33Å; Y144-H148 WeakPolarHBondContact CD2-CD2 3.47Å; Y144-H148 AromaticContact CD2-NE2 3.64Å; Y144-H148 AromaticContact CE2-CD2 3.3Å; Y144-H148 WeakPolarHBondContact CE2-CD2 3.34Å; Y144-H148 AromaticContact CE2-NE2 3.47Å; Y144-H148 WeakPolarHBondContact CE2-NE2 3.48Å; Y144-H148 AromaticContact CG-CD2 3.71Å; Y144-H148 AromaticContact CZ-CD2 3.66Å; Y144-H148 VanDerWaalsContact O-CB 3.32Å; Y144-H148 WeakPolarHBondContact O-CB 3.17Å; Y144-H148 PolarHBondContact O-CD2 3.28Å; Y144-H148 PolarHBondContact O-N 2.86Å; V145-H148 CarbonylContact O-C 3.59Å; S146-H148 VanDerWaalsContact C-N 3.3Å; S146-H148 PolarHBondContact O-N 2.76Å; H148-T150 VanDerWaalsContact C-N 3.27Å; H148-T150 PolarHBondContact O-N 2.82Å; H148-V151 HydrophobicContact CB-CB 4.41Å; H148-V151 CarbonylContact O-C 3.55Å; H148-V151 WeakPolarHBondContact O-CA 2.99Å; H148-V151 WeakPolarHBondContact O-CB 3.41Å; H148-V151 PolarHBondContact O-N 2.97Å; H148-I152 HydrophobicContact CB-CD1 4.06Å; H148-I152 HydrophobicContact CB-CG1 4.26Å; H148-I152 WeakPolarHBondContact O-CG1 3.37Å; H148-I152 PolarHBondContact O-N 2.94Å
149	H	28.2	Very low	32.5	Very low	95 Å²	95	98.7 Å²	98.7	44%	0.44	49%	0.494	S	S	.	.	H	α-helix	trans	-56.7	-45.4	-170.9	-163.3	78.9	0	0	0	110.9	V145 S146 V151 I152 L153	V145-H149 WeakPolarHBondContact O-CA 3.23Å; V145-H149 WeakPolarHBondContact O-CB 3.18Å; V145-H149 PolarHBondContact O-N 3.01Å; S146-H149 WeakPolarHBondContact O-CB 3.49Å; S146-H149 PolarHBondContact O-N 2.75Å; H149-V151 VanDerWaalsContact C-N 3.35Å; H149-V151 PolarHBondContact O-N 3.24Å; H149-I152 PolarHBondContact O-N 2.92Å; H149-L153 WeakPolarHBondContact CD2-CD1 3.04Å; H149-L153 WeakPolarHBondContact NE2-CD1 3.42Å; H149-L153 WeakPolarHBondContact O-CB 3.46Å; H149-L153 WeakPolarHBondContact O-CG 3.33Å; H149-L153 PolarHBondContact O-N 2.93Å
150	T	34.1	Very low	32	Very low	94 Å²	94	98.9 Å²	98.9	58%	0.577	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-35.9	176	-36.2	0	0	0	0	112.2	H148 N154	H148-T150 VanDerWaalsContact C-N 3.27Å; H148-T150 PolarHBondContact O-N 2.82Å; T150-N154 WeakPolarHBondContact O-CB 3.33Å; T150-N154 PolarHBondContact O-N 3.09Å; T150-N154 PolarHBondContact O-ND2 3.44Å
151	V	31	Very low	31.6	Very low	88 Å²	88	96.7 Å²	96.7	53%	0.533	51%	0.513	S	S	.	.	H	α-helix	trans	-69.8	-40.8	176.9	-179.3	0	0	0	0	110.8	H148 H149 K155	H148-V151 HydrophobicContact CB-CB 4.41Å; H148-V151 CarbonylContact O-C 3.55Å; H148-V151 WeakPolarHBondContact O-CA 2.99Å; H148-V151 WeakPolarHBondContact O-CB 3.41Å; H148-V151 PolarHBondContact O-N 2.97Å; H149-V151 VanDerWaalsContact C-N 3.35Å; H149-V151 PolarHBondContact O-N 3.24Å; V151-K155 WeakPolarHBondContact O-CB 3.08Å; V151-K155 PolarHBondContact O-N 2.77Å
152	I	25.1	Very low	31.4	Very low	47 Å²	47	96.2 Å²	96.2	24%	0.241	52%	0.516	C	S	.	.	H	α-helix	trans	-69	-47.4	179.6	-65.4	166.4	0	0	0	110	V145 H148 H149 K155 Y156 I162	V145-I152 HydrophobicContact CB-CD1 4.4Å; V145-I152 HydrophobicContact CG1-CD1 4.29Å; V145-I152 HydrophobicContact CG2-CD1 4.23Å; H148-I152 HydrophobicContact CB-CD1 4.06Å; H148-I152 HydrophobicContact CB-CG1 4.26Å; H148-I152 WeakPolarHBondContact O-CG1 3.37Å; H148-I152 PolarHBondContact O-N 2.94Å; H149-I152 PolarHBondContact O-N 2.92Å; I152-K155 PolarHBondContact O-N 3.44Å; I152-Y156 PolarHBondContact O-N 2.82Å; I152-I162 HydrophobicContact CG2-CD1 4.36Å
153	L	27.9	Very low	30.9	Very low	86 Å²	86	96.9 Å²	96.9	45%	0.45	54%	0.537	S	S	.	.	H	α-helix	trans	-64.7	-38.7	176.6	-72.3	176.7	0	0	0	112.7	H149 K155 Y156 P157	H149-L153 WeakPolarHBondContact CD2-CD1 3.04Å; H149-L153 WeakPolarHBondContact NE2-CD1 3.42Å; H149-L153 WeakPolarHBondContact O-CB 3.46Å; H149-L153 WeakPolarHBondContact O-CG 3.33Å; H149-L153 PolarHBondContact O-N 2.93Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-Y156 CarbonylContact O-C 3.58Å; L153-P157 VanDerWaalsContact O-CA 3.26Å; L153-P157 WeakPolarHBondContact O-CA 3.49Å
154	N	35	Very low	30.4	Very low	128 Å²	128	96.4 Å²	96.4	68%	0.684	54%	0.539	S	S	*	.	H	α-helix	trans	-71.1	-30.9	177.5	-75.4	-16.1	0	0	0	112.7	T150	T150-N154 WeakPolarHBondContact O-CB 3.33Å; T150-N154 PolarHBondContact O-N 3.09Å; T150-N154 PolarHBondContact O-ND2 3.44Å
155	K	30.3	Very low	30	Very low	149 Å²	149	99.7 Å²	99.7	65%	0.648	56%	0.558	S	S	*	*	H	α-helix	trans	-82.5	-27.9	178.7	-158.5	174.8	-175.9	-175.2	0	112.2	V151 I152 L153	V151-K155 WeakPolarHBondContact O-CB 3.08Å; V151-K155 PolarHBondContact O-N 2.77Å; I152-K155 PolarHBondContact O-N 3.44Å; L153-K155 VanDerWaalsContact C-N 3.34Å
156	Y	29.3	Very low	29.7	Very low	111 Å²	111	107.9 Å²	107.9	44%	0.435	60%	0.595	S	S	.	*			trans	-134.8	71.8	-179.4	-54.5	-73.8	0	0	0	111.2	I152 L153 S158 G159 I162	I152-Y156 PolarHBondContact O-N 2.82Å; L153-Y156 CarbonylContact O-C 3.58Å; Y156-S158 PolarHBondContact O-N 3.01Å; Y156-G159 PolarHBondContact O-N 3.06Å; Y156-I162 HydrophobicContact CD2-CD1 4.2Å; Y156-I162 HydrophobicContact CE2-CD1 4.25Å
157	P	32.3	Very low	29.4	Very low	112 Å²	112	107 Å²	107	73%	0.727	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-18.9	-173.1	24.9	-33.8	0	0	0	114.4	L153 G159	L153-P157 VanDerWaalsContact O-CA 3.26Å; L153-P157 WeakPolarHBondContact O-CA 3.49Å; P157-G159 VanDerWaalsContact C-N 3.34Å
158	S	34.6	Very low	28.8	Very low	80 Å²	80	104.4 Å²	104.4	56%	0.559	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-7.3	179.9	44.8	0	0	0	0	114.4	Y156 D160	Y156-S158 PolarHBondContact O-N 3.01Å; S158-D160 VanDerWaalsContact CB-OD2 3.32Å; S158-D160 WeakPolarHBondContact CB-OD2 3.42Å; S158-D160 PolarHBondContact O-N 2.83Å; S158-D160 VanDerWaalsContact OG-CG 3.29Å; S158-D160 PolarHBondContact OG-OD2 3.38Å
159	G	30.5	Very low	28.4	Very low	63 Å²	63	108.9 Å²	108.9	65%	0.649	63%	0.627	S	S	*	*			trans	64.5	15.8	-175.7	0	0	0	0	0	113.5	Y156 P157 A161	Y156-G159 PolarHBondContact O-N 3.06Å; P157-G159 VanDerWaalsContact C-N 3.34Å; G159-A161 PolarHBondContact O-N 3.36Å; G159-A161 VanDerWaalsContact O-N 3.11Å
160	D	28.5	Very low	28.4	Very low	116 Å²	116	110.3 Å²	110.3	62%	0.62	64%	0.637	S	S	*	*			trans	-57.7	119.3	175.1	-68.3	-39.2	0	0	0	108.2	S158 I162	S158-D160 VanDerWaalsContact CB-OD2 3.32Å; S158-D160 WeakPolarHBondContact CB-OD2 3.42Å; S158-D160 PolarHBondContact O-N 2.83Å; S158-D160 VanDerWaalsContact OG-CG 3.29Å; S158-D160 PolarHBondContact OG-OD2 3.38Å; D160-I162 PolarHBondContact O-N 3.06Å
161	A	28.7	Very low	28.1	Very low	96 Å²	96	111.1 Å²	111.1	79%	0.793	64%	0.641	S	S	*	*			trans	-48.2	115.8	-176.7	0	0	0	0	0	109.5	G159 A163	G159-A161 PolarHBondContact O-N 3.36Å; G159-A161 VanDerWaalsContact O-N 3.11Å; A161-A163 VanDerWaalsContact C-N 3.29Å; A161-A163 PolarHBondContact O-N 3.4Å
162	I	27.5	Very low	27.9	Very low	94 Å²	94	112.3 Å²	112.3	48%	0.482	65%	0.646	S	S	.	*			trans	-62.9	102.5	165.4	-58.1	172.9	0	0	0	104.6	I152 Y156 D160 L164	I152-I162 HydrophobicContact CG2-CD1 4.36Å; Y156-I162 HydrophobicContact CD2-CD1 4.2Å; Y156-I162 HydrophobicContact CE2-CD1 4.25Å; D160-I162 PolarHBondContact O-N 3.06Å; I162-L164 PolarHBondContact O-N 3.08Å
163	A	24.9	Very low	28.1	Very low	86 Å²	86	115.9 Å²	115.9	71%	0.711	67%	0.669	S	S	*	*			trans	-54.6	104.2	153.3	0	0	0	0	0	104.4	A161 E165	A161-A163 VanDerWaalsContact C-N 3.29Å; A161-A163 PolarHBondContact O-N 3.4Å; A163-E165 PolarHBondContact O-N 3.37Å
164	L	26.7	Very low	28.1	Very low	112 Å²	112	117.7 Å²	117.7	59%	0.586	68%	0.681	S	S	*	*			trans	-61.1	96.6	168.6	-72.4	165.1	0	0	0	104.3	I162 E166	I162-L164 PolarHBondContact O-N 3.08Å; L164-E166 PolarHBondContact O-N 3.11Å; L164-E166 VanDerWaalsContact O-N 3.12Å
165	E	25	Very low	27.7	Very low	173 Å²	173	117.1 Å²	117.1	81%	0.808	68%	0.681	S	S	*	*			trans	-50.9	122.4	166.5	-74.9	-173.8	164.1	0	0	106.2	A163 G167	A163-E165 PolarHBondContact O-N 3.37Å; E165-G167 PolarHBondContact O-N 3.31Å
166	E	26.2	Very low	27.5	Very low	203 Å²	203	114.9 Å²	114.9	95%	0.949	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.1	114.1	-178.5	-65.1	178.3	148	0	0	109.4	L164	L164-E166 PolarHBondContact O-N 3.11Å; L164-E166 VanDerWaalsContact O-N 3.12Å
167	G	25.9	Very low	27.4	Very low	68 Å²	68	115.2 Å²	115.2	70%	0.701	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	137.7	-6	164.8	0	0	0	0	0	118.6	E165 I169	E165-G167 PolarHBondContact O-N 3.31Å; G167-I169 PolarHBondContact O-N 3.07Å; G167-I169 VanDerWaalsContact O-N 3.15Å
168	V	22.8	Very low	27	Very low	123 Å²	123	115.5 Å²	115.5	75%	0.745	70%	0.699	S	S	*	*			trans	-87.7	90.2	174.3	-171.3	0	0	0	0	110.5	L170	V168-L170 HydrophobicContact CG1-CD1 4.5Å; V168-L170 HydrophobicContact CG1-CG 4.26Å
169	I	22.8	Very low	26.3	Very low	162 Å²	162	118.4 Å²	118.4	83%	0.831	71%	0.711	S	S	*	*			trans	-76.7	120.5	165.7	-57.1	172.9	0	0	0	107.9	G167	G167-I169 PolarHBondContact O-N 3.07Å; G167-I169 VanDerWaalsContact O-N 3.15Å
170	L	26.4	Very low	26	Very low	125 Å²	125	123.5 Å²	123.5	65%	0.654	72%	0.717	S	S	*	*			trans	-128.4	0	162.7	-76	176.4	0	0	0	110.3	Y144 V168	Y144-L170 HydrophobicContact CD2-CD1 3.98Å; Y144-L170 HydrophobicContact CE2-CD1 3.8Å; Y144-L170 HydrophobicContact CG-CD1 4.46Å; V168-L170 HydrophobicContact CG1-CD1 4.5Å; V168-L170 HydrophobicContact CG1-CG 4.26Å

Retrieved 170 of 170 residues in 1072.9 ms (Link to these results)

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