A0A077YYL6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 185 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	38	Very low	37.3	Very low	239 Å²	239	139.5 Å²	139.5	100%	1.177	77%	0.77	S	S	*	*				0	126.4	0	-77.9	171.3	171.3	0	0	106.9
2	S	30.6	Very low	38.8	Very low	121 Å²	121	132.7 Å²	132.7	85%	0.846	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-63.5	136.6	-175.9	-35	0	0	0	0	110.8
3	Y	29.1	Very low	40	Very low	225 Å²	225	131.2 Å²	131.2	88%	0.882	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-63.8	128.8	171.3	-76.7	-91.1	0	0	0	109.2	M5	Y3-M5 PolarHBondContact O-N 3.49Å
4	P	35.6	Very low	40.8	Very low	129 Å²	129	132.4 Å²	132.4	84%	0.838	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-68.7	122.1	174.9	26.6	-29.4	0	0	0	109.3
5	M	33.2	Very low	41.9	Very low	174 Å²	174	131.9 Å²	131.9	86%	0.857	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-56.9	145.2	175.8	-163.7	165.9	171.6	0	0	111.3	Y3 S7	Y3-M5 PolarHBondContact O-N 3.49Å; M5-S7 PolarHBondContact O-N 3.29Å
6	E	31.5	Very low	42.6	Very low	186 Å²	186	123.6 Å²	123.6	87%	0.869	66%	0.664	S	S	*	*			trans	-33.6	118.8	174	-65	162	158.4	0	0	113.1
7	S	36.4	Very low	43.4	Very low	99 Å²	99	120.5 Å²	120.5	69%	0.692	65%	0.651	S	S	*	*			trans	-128.9	121.7	157.5	175.7	0	0	0	0	105.5	M5 G9	M5-S7 PolarHBondContact O-N 3.29Å; S7-G9 PolarHBondContact O-N 3.2Å; S7-G9 PolarHBondContact OG-N 2.79Å
8	S	38.8	Very low	44.1	Very low	133 Å²	133	122.7 Å²	122.7	93%	0.93	66%	0.656	S	S	*	*			trans	-62.5	29.1	163.8	52.1	0	0	0	0	112.3	D10	S8-D10 PolarHBondContact O-N 2.75Å
9	G	38.7	Very low	44.6	Very low	33 Å²	33	124.3 Å²	124.3	34%	0.34	66%	0.657	S	S	.	*			trans	-73	123.2	177.6	0	0	0	0	0	108.4	S7 I11	S7-G9 PolarHBondContact O-N 3.2Å; S7-G9 PolarHBondContact OG-N 2.79Å; G9-I11 PolarHBondContact O-N 3.41Å
10	D	44.5	Very low	45.3	Very low	148 Å²	148	119.4 Å²	119.4	79%	0.791	63%	0.63	S	S	*	*			trans	-19.7	109.2	164.4	-66	-43.1	0	0	0	110.5	S8 S12	S8-D10 PolarHBondContact O-N 2.75Å; D10-S12 PolarHBondContact O-N 3.3Å
11	I	53.5	Low	45.7	Very low	48 Å²	48	116.4 Å²	116.4	25%	0.246	63%	0.627	C	S	.	*			trans	-71.1	85.6	173.5	-54.6	177.9	0	0	0	105	G9 E13 K15 V16 L34 V37	G9-I11 PolarHBondContact O-N 3.41Å; I11-E13 PolarHBondContact O-N 2.84Å; I11-K15 HydrophobicContact CG2-CB 4.42Å; I11-V16 HydrophobicContact CG2-CG2 3.53Å; I11-L34 HydrophobicContact CB-CD2 3.84Å; I11-L34 HydrophobicContact CG2-CD2 3.76Å; I11-V37 HydrophobicContact CD1-CB 4.48Å; I11-V37 HydrophobicContact CD1-CG1 3.49Å; I11-V37 VanDerWaalsContact CD1-CG1 3.49Å
12	S	55.1	Low	46.6	Very low	57 Å²	57	105 Å²	105	40%	0.399	57%	0.571	S	S	.	*			trans	-54.1	138.7	174.7	58.8	0	0	0	0	108.9	D10 Q14 K15 V16	D10-S12 PolarHBondContact O-N 3.3Å; S12-Q14 PolarHBondContact O-N 3.13Å; S12-K15 WeakPolarHBondContact O-CB 3.4Å; S12-K15 PolarHBondContact O-N 3.03Å; S12-V16 PolarHBondContact O-N 3.12Å
13	E	54.5	Low	47.6	Very low	113 Å²	113	103.9 Å²	103.9	53%	0.528	56%	0.562	S	S	.	*	H	α-helix	trans	-41.4	-39.3	178	-67.8	-174.8	165.6	0	0	113.3	I11 K15 V16 V17 L30 L34	I11-E13 PolarHBondContact O-N 2.84Å; E13-K15 PolarHBondContact O-N 3.3Å; E13-V16 WeakPolarHBondContact O-CB 3.24Å; E13-V16 PolarHBondContact O-N 2.85Å; E13-V16 VanDerWaalsContact O-N 3.09Å; E13-V17 PolarHBondContact O-N 3.03Å; E13-L30 HydrophobicContact CB-CD2 3.66Å; E13-L30 HydrophobicContact CG-CD2 3.48Å; E13-L30 VanDerWaalsContact CG-CD2 3.48Å; E13-L30 HydrophobicContact CG-CG 4.33Å; E13-L34 HydrophobicContact CG-CD1 4.5Å
14	Q	52.3	Low	48.8	Very low	148 Å²	148	94.9 Å²	94.9	69%	0.692	53%	0.528	S	S	*	.	H	α-helix	trans	-64.5	-36.5	-180	-158.8	168.4	7.2	0	0	113.9	S12 V16 E18	S12-Q14 PolarHBondContact O-N 3.13Å; Q14-V16 VanDerWaalsContact C-N 3.3Å; Q14-E18 PolarHBondContact O-N 3.15Å
15	K	56.4	Low	49.5	Very low	125 Å²	125	96.1 Å²	96.1	54%	0.543	53%	0.528	S	S	.	.	H	α-helix	trans	-69	-30.5	172.8	-76.7	-178.4	179.7	174.9	0	111.6	I11 S12 E13 F19	I11-K15 HydrophobicContact CG2-CB 4.42Å; S12-K15 WeakPolarHBondContact O-CB 3.4Å; S12-K15 PolarHBondContact O-N 3.03Å; E13-K15 PolarHBondContact O-N 3.3Å; K15-F19 WeakPolarHBondContact O-CB 3.4Å; K15-F19 PolarHBondContact O-N 2.83Å
16	V	53.8	Low	50.6	Low	0 Å²	0	92.5 Å²	92.5	0%	0	51%	0.512	C	S	.	.	H	α-helix	trans	-67.1	-47	179.7	-171.8	0	0	0	0	110.5	I11 S12 E13 Q14 E18 F19 F20 L30 F33 L34	I11-V16 HydrophobicContact CG2-CG2 3.53Å; S12-V16 PolarHBondContact O-N 3.12Å; E13-V16 WeakPolarHBondContact O-CB 3.24Å; E13-V16 PolarHBondContact O-N 2.85Å; E13-V16 VanDerWaalsContact O-N 3.09Å; Q14-V16 VanDerWaalsContact C-N 3.3Å; V16-E18 VanDerWaalsContact C-N 3.34Å; V16-E18 PolarHBondContact O-N 2.85Å; V16-F19 PolarHBondContact O-N 3.2Å; V16-F20 HydrophobicContact CB-CD2 4.25Å; V16-F20 HydrophobicContact CG1-CB 4.45Å; V16-F20 HydrophobicContact CG1-CD2 3.64Å; V16-F20 HydrophobicContact CG1-CE2 4.26Å; V16-F20 HydrophobicContact CG1-CG 4.33Å; V16-F20 WeakPolarHBondContact O-CB 3.39Å; V16-F20 WeakPolarHBondContact O-CD2 3.44Å; V16-F20 PolarHBondContact O-N 3.48Å; V16-L30 HydrophobicContact CB-CD1 4Å; V16-L30 HydrophobicContact CG1-CD1 3.71Å; V16-L30 HydrophobicContact CG2-CD1 4.35Å; V16-F33 HydrophobicContact CG1-CD1 3.66Å; V16-F33 HydrophobicContact CG1-CE1 3.72Å; V16-L34 HydrophobicContact CG2-CD1 4.25Å; V16-L34 HydrophobicContact CG2-CD2 3.23Å; V16-L34 HydrophobicContact CG2-CG 3.86Å
17	V	56	Low	51.8	Low	71 Å²	71	89.1 Å²	89.1	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-59.1	-46.3	178.8	175.4	0	0	0	0	110.7	E13 G21 C22	E13-V17 PolarHBondContact O-N 3.03Å; V17-G21 WeakPolarHBondContact O-CA 3.44Å; V17-G21 PolarHBondContact O-N 3.31Å; V17-G21 VanDerWaalsContact O-N 3.12Å; V17-C22 WeakPolarHBondContact CG1-O 3.45Å
18	E	55.7	Low	53	Low	159 Å²	159	86.5 Å²	86.5	74%	0.743	49%	0.493	S	S	*	.	H	α-helix	trans	-68.9	-40.3	179.8	-72.8	-177.6	178	0	0	113.3	Q14 V16	Q14-E18 PolarHBondContact O-N 3.15Å; V16-E18 VanDerWaalsContact C-N 3.34Å; V16-E18 PolarHBondContact O-N 2.85Å
19	F	54.2	Low	54.4	Low	154 Å²	154	82.2 Å²	82.2	68%	0.675	46%	0.457	S	S	*	.	H	α-helix	trans	-86.3	-35.4	-172.1	-160.4	-96.7	0	0	0	113.5	K15 V16	K15-F19 WeakPolarHBondContact O-CB 3.4Å; K15-F19 PolarHBondContact O-N 2.83Å; V16-F19 PolarHBondContact O-N 3.2Å
20	F	58.4	Low	56	Low	26 Å²	26	81.2 Å²	81.2	11%	0.114	44%	0.444	C	S	.	.	H	α-helix	trans	-101.5	-5.7	-177.1	-60.9	-88.6	0	0	0	113	V16 C22 F33 V37 L66 P67	V16-F20 HydrophobicContact CB-CD2 4.25Å; V16-F20 HydrophobicContact CG1-CB 4.45Å; V16-F20 HydrophobicContact CG1-CD2 3.64Å; V16-F20 HydrophobicContact CG1-CE2 4.26Å; V16-F20 HydrophobicContact CG1-CG 4.33Å; V16-F20 WeakPolarHBondContact O-CB 3.39Å; V16-F20 WeakPolarHBondContact O-CD2 3.44Å; V16-F20 PolarHBondContact O-N 3.48Å; F20-C22 PolarHBondContact O-N 3.21Å; F20-F33 HydrophobicContact CB-CE1 3.89Å; F20-F33 HydrophobicContact CB-CZ 3.95Å; F20-F33 AromaticContact CD1-CE1 3.66Å; F20-F33 HydrophobicContact CD1-CE1 3.66Å; F20-F33 AromaticContact CD1-CZ 3.46Å; F20-F33 HydrophobicContact CD1-CZ 3.46Å; F20-F33 VanDerWaalsContact CD1-CZ 3.46Å; F20-F33 AromaticContact CD2-CE1 3.83Å; F20-F33 HydrophobicContact CD2-CE1 3.83Å; F20-F33 HydrophobicContact CD2-CZ 4.45Å; F20-F33 HydrophobicContact CE1-CE1 4.07Å; F20-F33 HydrophobicContact CE1-CZ 4Å; F20-F33 HydrophobicContact CE2-CE1 4.24Å; F20-F33 AromaticContact CG-CE1 3.51Å; F20-F33 HydrophobicContact CG-CE1 3.51Å; F20-F33 AromaticContact CG-CZ 3.71Å; F20-F33 HydrophobicContact CG-CZ 3.71Å; F20-F33 HydrophobicContact CZ-CE1 4.36Å; F20-V37 HydrophobicContact CE1-CG2 3.79Å; F20-V37 HydrophobicContact CE2-CG1 4.34Å; F20-V37 HydrophobicContact CE2-CG2 4.16Å; F20-V37 HydrophobicContact CZ-CB 4.3Å; F20-V37 HydrophobicContact CZ-CG1 3.69Å; F20-V37 HydrophobicContact CZ-CG2 3.54Å; F20-L66 HydrophobicContact CE1-CD1 4.46Å; F20-P67 HydrophobicContact CD1-CG 3.51Å; F20-P67 HydrophobicContact CE1-CG 3.41Å; F20-P67 VanDerWaalsContact CE1-CG 3.41Å
21	G	53.7	Low	57.5	Low	56 Å²	56	77.3 Å²	77.3	58%	0.577	43%	0.428	S	S	*	.			trans	66	23.8	-176.2	0	0	0	0	0	113	V17 C23	V17-G21 WeakPolarHBondContact O-CA 3.44Å; V17-G21 PolarHBondContact O-N 3.31Å; V17-G21 VanDerWaalsContact O-N 3.12Å; G21-C23 PolarHBondContact O-N 3.41Å
22	C	56.6	Low	58.8	Low	1 Å²	1	76.4 Å²	76.4	1%	0.007	42%	0.424	C	S	.	.			trans	-76.2	116.4	-174.9	-78.4	0	0	0	0	112.1	V17 F20 H24 C64	V17-C22 WeakPolarHBondContact CG1-O 3.45Å; F20-C22 PolarHBondContact O-N 3.21Å; C22-H24 PolarHBondContact O-N 3.04Å; C22-C64 WeakPolarHBondContact CA-SG 3.16Å; C22-C64 HydrophobicContact CB-CB 4.4Å; C22-C64 WeakPolarHBondContact CB-SG 3.34Å; C22-C64 WeakPolarHBondContact SG-CB 3.41Å; C22-C64 CovalentContact SG-SG 2.02Å; C22-C64 PolarHBondContact SG-SG 3.17Å
23	C	51.9	Low	59.9	Low	97 Å²	97	73.8 Å²	73.8	66%	0.655	41%	0.406	S	S	*	.			trans	-96.7	64.1	168.2	-68.3	0	0	0	0	110.4	G21 N25	G21-C23 PolarHBondContact O-N 3.41Å; C23-N25 PolarHBondContact O-N 3.37Å
24	H	53.9	Low	61.1	Low	35 Å²	35	69.3 Å²	69.3	16%	0.162	39%	0.385	C	S	.	.			trans	-77.7	108.9	174.8	-73.6	-42.2	0	0	0	110.4	C22 D26 L30 E63 C64	C22-H24 PolarHBondContact O-N 3.04Å; H24-D26 VanDerWaalsContact C-N 3.34Å; H24-L30 HydrophobicContact CB-CB 4.23Å; H24-E63 IonicContact CE1-OE2 3.56Å; H24-E63 IonicContact CG-OE2 2.66Å; H24-E63 IonicContact ND1-OE2 2.83Å; H24-E63 PolarHBondContact ND1-OE2 3.4Å; H24-C64 VanDerWaalsContact CE1-SG 3.53Å; H24-C64 PolarHBondContact NE2-SG 2.83Å
25	N	51.4	Low	62.5	Low	155 Å²	155	64 Å²	64	83%	0.829	37%	0.366	S	S	*	.			trans	-78.6	-23.4	164.7	-73.2	-26.8	0	0	0	111.7	C23	C23-N25 PolarHBondContact O-N 3.37Å
26	D	56.3	Low	63.7	Low	98 Å²	98	58 Å²	58	52%	0.524	34%	0.34	S	S	.	.	S	Bend	trans	-95	107.3	177.2	-80.6	-29.6	0	0	0	110.8	H24 G28 K29	H24-D26 VanDerWaalsContact C-N 3.34Å; D26-G28 PolarHBondContact O-N 3.03Å; D26-G28 VanDerWaalsContact O-N 3.11Å; D26-K29 HydrophobicContact CB-CD 4.33Å; D26-K29 HydrophobicContact CB-CG 4.37Å; D26-K29 PolarHBondContact O-N 3.38Å; D26-K29 VanDerWaalsContact O-N 3.09Å
27	T	55.2	Low	65	Low	116 Å²	116	58 Å²	58	71%	0.712	34%	0.34	S	S	*	.	H	α-helix	trans	-55.6	-28.8	179.4	48.1	0	0	0	0	113.6
28	G	62.7	Low	66.3	Low	44 Å²	44	60.2 Å²	60.2	45%	0.454	35%	0.346	S	S	.	.	H	α-helix	trans	-71.5	-25.4	178.8	0	0	0	0	0	115	D26 S31	D26-G28 PolarHBondContact O-N 3.03Å; D26-G28 VanDerWaalsContact O-N 3.11Å; G28-S31 PolarHBondContact O-OG 3.12Å
29	K	67.7	Low	67.7	Low	42 Å²	42	53 Å²	53	18%	0.183	31%	0.314	C	S	.	.	H	α-helix	trans	-82.4	-30.7	179.3	-72.5	-179.5	170.2	178.4	0	112	D26 S31 D32 F33 D61	D26-K29 HydrophobicContact CB-CD 4.33Å; D26-K29 HydrophobicContact CB-CG 4.37Å; D26-K29 PolarHBondContact O-N 3.38Å; D26-K29 VanDerWaalsContact O-N 3.09Å; K29-S31 VanDerWaalsContact C-N 3.34Å; K29-S31 PolarHBondContact O-N 3.38Å; K29-D32 PolarHBondContact O-N 3.17Å; K29-F33 PolarHBondContact O-N 3.42Å; K29-D61 IonicContact NZ-OD2 2.76Å; K29-D61 PolarHBondContact NZ-OD2 3.38Å
30	L	71.5	Confident	68.9	Low	12 Å²	12	45.7 Å²	45.7	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-39.4	177.3	-178.7	61.4	0	0	0	112	E13 V16 H24 F33 L34	E13-L30 HydrophobicContact CB-CD2 3.66Å; E13-L30 HydrophobicContact CG-CD2 3.48Å; E13-L30 VanDerWaalsContact CG-CD2 3.48Å; E13-L30 HydrophobicContact CG-CG 4.33Å; V16-L30 HydrophobicContact CB-CD1 4Å; V16-L30 HydrophobicContact CG1-CD1 3.71Å; V16-L30 HydrophobicContact CG2-CD1 4.35Å; H24-L30 HydrophobicContact CB-CB 4.23Å; L30-F33 PolarHBondContact O-N 3.11Å; L30-L34 HydrophobicContact CG-CD1 4.31Å; L30-L34 WeakPolarHBondContact O-CB 3.4Å; L30-L34 WeakPolarHBondContact O-CG 3.43Å; L30-L34 PolarHBondContact O-N 3.22Å
31	S	77.4	Confident	70	Confident	66 Å²	66	47.9 Å²	47.9	46%	0.462	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-39.8	175.3	54.2	0	0	0	0	112.6	G28 K29 L34 A35	G28-S31 PolarHBondContact O-OG 3.12Å; K29-S31 VanDerWaalsContact C-N 3.34Å; K29-S31 PolarHBondContact O-N 3.38Å; S31-L34 PolarHBondContact O-N 3.26Å; S31-A35 PolarHBondContact O-N 3.44Å
32	D	80.4	Confident	71.3	Confident	30 Å²	30	46.5 Å²	46.5	16%	0.16	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-40.9	176.3	-72	-16.7	0	0	0	110.3	K29 A35 V36 C56 M60	K29-D32 PolarHBondContact O-N 3.17Å; D32-A35 PolarHBondContact O-N 3.48Å; D32-V36 PolarHBondContact O-N 2.99Å; D32-C56 HydrophobicContact CB-CB 3.98Å; D32-M60 HydrophobicContact CB-CE 3.89Å; D32-M60 WeakPolarHBondContact O-CE 3.39Å
33	F	77.6	Confident	72.4	Confident	1 Å²	1	55.5 Å²	55.5	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-45.6	176.1	-175.2	-96.9	0	0	0	111.9	V16 F20 K29 L30 A35 V36 V37 M60 C64 L66	V16-F33 HydrophobicContact CG1-CD1 3.66Å; V16-F33 HydrophobicContact CG1-CE1 3.72Å; F20-F33 HydrophobicContact CB-CE1 3.89Å; F20-F33 HydrophobicContact CB-CZ 3.95Å; F20-F33 AromaticContact CD1-CE1 3.66Å; F20-F33 HydrophobicContact CD1-CE1 3.66Å; F20-F33 AromaticContact CD1-CZ 3.46Å; F20-F33 HydrophobicContact CD1-CZ 3.46Å; F20-F33 VanDerWaalsContact CD1-CZ 3.46Å; F20-F33 AromaticContact CD2-CE1 3.83Å; F20-F33 HydrophobicContact CD2-CE1 3.83Å; F20-F33 HydrophobicContact CD2-CZ 4.45Å; F20-F33 HydrophobicContact CE1-CE1 4.07Å; F20-F33 HydrophobicContact CE1-CZ 4Å; F20-F33 HydrophobicContact CE2-CE1 4.24Å; F20-F33 AromaticContact CG-CE1 3.51Å; F20-F33 HydrophobicContact CG-CE1 3.51Å; F20-F33 AromaticContact CG-CZ 3.71Å; F20-F33 HydrophobicContact CG-CZ 3.71Å; F20-F33 HydrophobicContact CZ-CE1 4.36Å; K29-F33 PolarHBondContact O-N 3.42Å; L30-F33 PolarHBondContact O-N 3.11Å; F33-A35 VanDerWaalsContact C-N 3.3Å; F33-A35 PolarHBondContact O-N 3Å; F33-V36 WeakPolarHBondContact O-CB 3.32Å; F33-V36 PolarHBondContact O-N 3.47Å; F33-V36 VanDerWaalsContact O-N 3.11Å; F33-V37 HydrophobicContact CD1-CG2 4.01Å; F33-V37 HydrophobicContact CE1-CG2 3.59Å; F33-V37 HydrophobicContact CZ-CG2 4.02Å; F33-V37 WeakPolarHBondContact O-CG2 3.46Å; F33-V37 PolarHBondContact O-N 3.11Å; F33-M60 VanDerWaalsContact CA-CE 3.48Å; F33-M60 HydrophobicContact CB-CE 4.36Å; F33-M60 HydrophobicContact CD2-SD 4.35Å; F33-C64 HydrophobicContact CD2-CB 3.88Å; F33-C64 HydrophobicContact CE2-CB 3.59Å; F33-C64 HydrophobicContact CZ-CB 4.07Å; F33-L66 HydrophobicContact CZ-CD1 4.45Å
34	L	80.2	Confident	73.6	Confident	20 Å²	20	56.6 Å²	56.6	11%	0.105	32%	0.324	C	S	.	.	H	α-helix	trans	-57.7	-42.7	174.7	-84.4	172.7	0	0	0	112	I11 E13 V16 L30 S31 V36 V37 E38	I11-L34 HydrophobicContact CB-CD2 3.84Å; I11-L34 HydrophobicContact CG2-CD2 3.76Å; E13-L34 HydrophobicContact CG-CD1 4.5Å; V16-L34 HydrophobicContact CG2-CD1 4.25Å; V16-L34 HydrophobicContact CG2-CD2 3.23Å; V16-L34 HydrophobicContact CG2-CG 3.86Å; L30-L34 HydrophobicContact CG-CD1 4.31Å; L30-L34 WeakPolarHBondContact O-CB 3.4Å; L30-L34 WeakPolarHBondContact O-CG 3.43Å; L30-L34 PolarHBondContact O-N 3.22Å; S31-L34 PolarHBondContact O-N 3.26Å; L34-V36 VanDerWaalsContact C-N 3.28Å; L34-V36 PolarHBondContact O-N 3.38Å; L34-V37 PolarHBondContact O-N 3.44Å; L34-V37 VanDerWaalsContact O-N 3.12Å; L34-E38 WeakPolarHBondContact O-CB 3.46Å; L34-E38 WeakPolarHBondContact O-CG 3.44Å; L34-E38 PolarHBondContact O-N 3.27Å
35	A	82.3	Confident	74.7	Confident	35 Å²	35	55.1 Å²	55.1	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-36.7	176.3	0	0	0	0	0	112.5	S31 D32 F33 A39	S31-A35 PolarHBondContact O-N 3.44Å; D32-A35 PolarHBondContact O-N 3.48Å; F33-A35 VanDerWaalsContact C-N 3.3Å; F33-A35 PolarHBondContact O-N 3Å; A35-A39 WeakPolarHBondContact O-CB 3.37Å; A35-A39 PolarHBondContact O-N 3.13Å
36	V	81.4	Confident	76.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-42.4	173.7	175	0	0	0	0	111.6	D32 F33 L34 A39 S40 L53 C56 L57 M60 L66 L74 I104	D32-V36 PolarHBondContact O-N 2.99Å; F33-V36 WeakPolarHBondContact O-CB 3.32Å; F33-V36 PolarHBondContact O-N 3.47Å; F33-V36 VanDerWaalsContact O-N 3.11Å; L34-V36 VanDerWaalsContact C-N 3.28Å; L34-V36 PolarHBondContact O-N 3.38Å; V36-A39 PolarHBondContact O-N 3.22Å; V36-S40 PolarHBondContact O-N 2.76Å; V36-S40 PolarHBondContact O-OG 3.16Å; V36-L53 HydrophobicContact CB-CD1 3.98Å; V36-L53 HydrophobicContact CG1-CD1 4.23Å; V36-L53 HydrophobicContact CG2-CD1 3.56Å; V36-C56 HydrophobicContact CG2-CB 4.17Å; V36-L57 HydrophobicContact CG1-CD2 4.46Å; V36-L57 HydrophobicContact CG2-CD2 3.9Å; V36-L57 HydrophobicContact CG2-CG 4.29Å; V36-M60 HydrophobicContact CB-CE 4.19Å; V36-M60 HydrophobicContact CG2-CE 3.28Å; V36-M60 HydrophobicContact CG2-SD 4.27Å; V36-L66 HydrophobicContact CG1-CD1 4.3Å; V36-L66 HydrophobicContact CG1-CD2 4.16Å; V36-L74 HydrophobicContact CG1-CD1 3.87Å; V36-I104 HydrophobicContact CG1-CD1 3.96Å; V36-I104 HydrophobicContact CG2-CD1 4.29Å
37	V	81.4	Confident	77.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-45.7	176.7	177	0	0	0	0	110.5	I11 F20 F33 L34 A39 S40 C41 L66	I11-V37 HydrophobicContact CD1-CB 4.48Å; I11-V37 HydrophobicContact CD1-CG1 3.49Å; I11-V37 VanDerWaalsContact CD1-CG1 3.49Å; F20-V37 HydrophobicContact CE1-CG2 3.79Å; F20-V37 HydrophobicContact CE2-CG1 4.34Å; F20-V37 HydrophobicContact CE2-CG2 4.16Å; F20-V37 HydrophobicContact CZ-CB 4.3Å; F20-V37 HydrophobicContact CZ-CG1 3.69Å; F20-V37 HydrophobicContact CZ-CG2 3.54Å; F33-V37 HydrophobicContact CD1-CG2 4.01Å; F33-V37 HydrophobicContact CE1-CG2 3.59Å; F33-V37 HydrophobicContact CZ-CG2 4.02Å; F33-V37 WeakPolarHBondContact O-CG2 3.46Å; F33-V37 PolarHBondContact O-N 3.11Å; L34-V37 PolarHBondContact O-N 3.44Å; L34-V37 VanDerWaalsContact O-N 3.12Å; V37-A39 PolarHBondContact O-N 2.68Å; V37-S40 PolarHBondContact O-N 3.24Å; V37-S40 VanDerWaalsContact O-N 3.13Å; V37-S40 PolarHBondContact O-OG 3.11Å; V37-C41 PolarHBondContact O-N 2.79Å; V37-C41 PolarHBondContact O-SG 3.34Å; V37-C41 VanDerWaalsContact O-SG 3.37Å; V37-L66 HydrophobicContact CG2-CD1 4Å
38	E	83.7	Confident	78.4	Confident	117 Å²	117	50.5 Å²	50.5	55%	0.547	30%	0.295	S	S	.	.	H	α-helix	trans	-59.4	-44.5	176.9	-75.2	178	-174	0	0	112.2	L34 S40 C41 A42	L34-E38 WeakPolarHBondContact O-CB 3.46Å; L34-E38 WeakPolarHBondContact O-CG 3.44Å; L34-E38 PolarHBondContact O-N 3.27Å; E38-S40 VanDerWaalsContact C-N 3.28Å; E38-S40 PolarHBondContact O-N 3.08Å; E38-C41 PolarHBondContact O-N 3.4Å; E38-C41 VanDerWaalsContact O-N 3.11Å; E38-A42 PolarHBondContact O-N 3.29Å
39	A	83.4	Confident	79.4	Confident	8 Å²	8	54.2 Å²	54.2	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-39.9	175.8	0	0	0	0	0	111.8	A35 V36 V37 C41 A42 L53 L74	A35-A39 WeakPolarHBondContact O-CB 3.37Å; A35-A39 PolarHBondContact O-N 3.13Å; V36-A39 PolarHBondContact O-N 3.22Å; V37-A39 PolarHBondContact O-N 2.68Å; A39-C41 VanDerWaalsContact C-N 3.26Å; A39-C41 PolarHBondContact O-N 3.24Å; A39-A42 WeakPolarHBondContact O-CB 3.46Å; A39-A42 PolarHBondContact O-N 3.34Å; A39-L53 HydrophobicContact CB-CD1 3.77Å; A39-L74 HydrophobicContact CB-CD2 4.22Å
40	S	81	Confident	80.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-72.4	-16.7	177.9	73.9	0	0	0	0	114.2	V36 V37 E38 H70 K73	V36-S40 PolarHBondContact O-N 2.76Å; V36-S40 PolarHBondContact O-OG 3.16Å; V37-S40 PolarHBondContact O-N 3.24Å; V37-S40 VanDerWaalsContact O-N 3.13Å; V37-S40 PolarHBondContact O-OG 3.11Å; E38-S40 VanDerWaalsContact C-N 3.28Å; E38-S40 PolarHBondContact O-N 3.08Å; S40-H70 WeakPolarHBondContact OG-CB 3.38Å; S40-H70 PolarHBondContact OG-ND1 3.05Å; S40-K73 WeakPolarHBondContact O-CB 3.45Å; S40-K73 WeakPolarHBondContact O-CD 3.5Å
41	C	80.3	Confident	80.6	Confident	72 Å²	72	56.1 Å²	56.1	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-91.4	-9	174.3	-69.4	0	0	0	0	112.9	V37 E38 A39 H70	V37-C41 PolarHBondContact O-N 2.79Å; V37-C41 PolarHBondContact O-SG 3.34Å; V37-C41 VanDerWaalsContact O-SG 3.37Å; E38-C41 PolarHBondContact O-N 3.4Å; E38-C41 VanDerWaalsContact O-N 3.11Å; A39-C41 VanDerWaalsContact C-N 3.26Å; A39-C41 PolarHBondContact O-N 3.24Å; C41-H70 VanDerWaalsContact SG-CE1 3.58Å
42	A	81.4	Confident	80.9	Confident	26 Å²	26	54.4 Å²	54.4	22%	0.215	30%	0.3	C	S	.	.			trans	-75.6	144.5	178.5	0	0	0	0	0	110.9	E38 A39 D44 V45	E38-A42 PolarHBondContact O-N 3.29Å; A39-A42 WeakPolarHBondContact O-CB 3.46Å; A39-A42 PolarHBondContact O-N 3.34Å; A42-D44 VanDerWaalsContact C-N 3.32Å; A42-D44 WeakPolarHBondContact CB-O 3.3Å; A42-V45 HydrophobicContact CB-CG2 4.02Å
43	E	79.5	Confident	81.1	Confident	190 Å²	190	53.1 Å²	53.1	89%	0.888	29%	0.293	S	S	*	.	S	Bend	trans	-72.8	-30	170.2	-65.8	-178.1	172.7	0	0	111.7	L77	E43-L77 WeakPolarHBondContact O-CD2 3.39Å
44	D	77.6	Confident	81.3	Confident	121 Å²	121	54.7 Å²	54.7	65%	0.647	30%	0.301	S	S	*	.	S	Bend	trans	-147.4	147.3	176.1	-174.2	15	0	0	0	109.9	A42	A42-D44 VanDerWaalsContact C-N 3.32Å; A42-D44 WeakPolarHBondContact CB-O 3.3Å
45	V	75.9	Confident	81.4	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.024	32%	0.32	C	S	.	.			trans	-122.4	109.5	-176	-178.6	0	0	0	0	108.6	A42 K49 W50 L77	A42-V45 HydrophobicContact CB-CG2 4.02Å; V45-K49 HydrophobicContact CG1-CB 3.49Å; V45-K49 VanDerWaalsContact CG1-CB 3.49Å; V45-K49 HydrophobicContact CG1-CD 4.48Å; V45-W50 HydrophobicContact CB-CD2 4.21Å; V45-W50 HydrophobicContact CB-CG 4.42Å; V45-W50 HydrophobicContact CB-CZ2 4.11Å; V45-W50 HydrophobicContact CG1-CB 4.5Å; V45-W50 HydrophobicContact CG1-CD2 3.68Å; V45-W50 HydrophobicContact CG1-CE3 4.35Å; V45-W50 HydrophobicContact CG1-CG 3.69Å; V45-W50 HydrophobicContact CG1-CZ2 4.43Å; V45-W50 HydrophobicContact CG2-CZ2 4.42Å; V45-W50 PolarHBondContact O-NE1 2.99Å; V45-W50 VanDerWaalsContact O-NE1 3.12Å; V45-L77 HydrophobicContact CG2-CD1 3.83Å
46	S	82.2	Confident	81.4	Confident	60 Å²	60	57 Å²	57	42%	0.42	31%	0.31	S	S	.	.			trans	-56.4	150.2	173.3	63	0	0	0	0	111.6	L48 K49 W50	S46-L48 VanDerWaalsContact C-N 3.25Å; S46-L48 PolarHBondContact O-N 3.33Å; S46-L48 VanDerWaalsContact O-N 3.12Å; S46-K49 WeakPolarHBondContact O-CA 3.37Å; S46-K49 WeakPolarHBondContact O-CB 3.42Å; S46-K49 PolarHBondContact O-N 3.4Å; S46-K49 WeakPolarHBondContact OG-CG 3.43Å; S46-K49 PolarHBondContact OG-N 3.24Å; S46-W50 PolarHBondContact O-N 3.34Å; S46-W50 VanDerWaalsContact O-N 3.15Å
47	V	78.1	Confident	81.3	Confident	75 Å²	75	57.1 Å²	57.1	46%	0.455	31%	0.311	S	S	.	.	H	α-helix	trans	-44.4	-46.9	175	169.3	0	0	0	0	113.1	K49 W50 E51 L91	V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 PolarHBondContact O-N 3.14Å; V47-W50 WeakPolarHBondContact O-CB 3.45Å; V47-W50 PolarHBondContact O-N 3.38Å; V47-W50 VanDerWaalsContact O-N 3.13Å; V47-E51 PolarHBondContact O-N 3.43Å; V47-L91 HydrophobicContact CB-CD2 4.02Å; V47-L91 HydrophobicContact CG1-CD2 3.74Å; V47-L91 HydrophobicContact CG2-CD2 4.03Å
48	L	81.8	Confident	81	Confident	137 Å²	137	61.1 Å²	61.1	72%	0.717	34%	0.339	S	S	*	.	H	α-helix	trans	-61	-35.1	178.9	-69.2	172.2	0	0	0	113.4	S46 G52	S46-L48 VanDerWaalsContact C-N 3.25Å; S46-L48 PolarHBondContact O-N 3.33Å; S46-L48 VanDerWaalsContact O-N 3.12Å; L48-G52 PolarHBondContact O-N 3Å
49	K	82.8	Confident	80.6	Confident	122 Å²	122	61.4 Å²	61.4	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-72.4	-36.7	176.8	-76.2	-177.2	177.1	-173.1	0	111.3	V45 S46 V47 G52 L53	V45-K49 HydrophobicContact CG1-CB 3.49Å; V45-K49 VanDerWaalsContact CG1-CB 3.49Å; V45-K49 HydrophobicContact CG1-CD 4.48Å; S46-K49 WeakPolarHBondContact O-CA 3.37Å; S46-K49 WeakPolarHBondContact O-CB 3.42Å; S46-K49 PolarHBondContact O-N 3.4Å; S46-K49 WeakPolarHBondContact OG-CG 3.43Å; S46-K49 PolarHBondContact OG-N 3.24Å; V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 PolarHBondContact O-N 3.14Å; K49-G52 PolarHBondContact O-N 2.99Å; K49-L53 WeakPolarHBondContact O-CB 3.5Å; K49-L53 PolarHBondContact O-N 3.39Å
50	W	82.1	Confident	80.1	Confident	3 Å²	3	61.7 Å²	61.7	1%	0.011	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-42.3	173.4	-79.1	121.9	0	0	0	112.6	V45 S46 V47 G52 L53 I54 L74 L77 L78 L81 L91 V95	V45-W50 HydrophobicContact CB-CD2 4.21Å; V45-W50 HydrophobicContact CB-CG 4.42Å; V45-W50 HydrophobicContact CB-CZ2 4.11Å; V45-W50 HydrophobicContact CG1-CB 4.5Å; V45-W50 HydrophobicContact CG1-CD2 3.68Å; V45-W50 HydrophobicContact CG1-CE3 4.35Å; V45-W50 HydrophobicContact CG1-CG 3.69Å; V45-W50 HydrophobicContact CG1-CZ2 4.43Å; V45-W50 HydrophobicContact CG2-CZ2 4.42Å; V45-W50 PolarHBondContact O-NE1 2.99Å; V45-W50 VanDerWaalsContact O-NE1 3.12Å; S46-W50 PolarHBondContact O-N 3.34Å; S46-W50 VanDerWaalsContact O-N 3.15Å; V47-W50 WeakPolarHBondContact O-CB 3.45Å; V47-W50 PolarHBondContact O-N 3.38Å; V47-W50 VanDerWaalsContact O-N 3.13Å; W50-G52 VanDerWaalsContact C-N 3.34Å; W50-L53 HydrophobicContact CE3-CB 4.44Å; W50-L53 HydrophobicContact CE3-CD2 3.5Å; W50-L53 HydrophobicContact CZ3-CD2 3.39Å; W50-L53 VanDerWaalsContact O-CB 3.3Å; W50-L53 WeakPolarHBondContact O-CB 3.47Å; W50-L53 PolarHBondContact O-N 3.36Å; W50-L53 VanDerWaalsContact O-N 3.14Å; W50-I54 WeakPolarHBondContact O-CG1 3.31Å; W50-I54 PolarHBondContact O-N 2.82Å; W50-L74 HydrophobicContact CZ3-CD2 4.4Å; W50-L77 HydrophobicContact CH2-CB 3.81Å; W50-L77 HydrophobicContact CZ2-CB 3.63Å; W50-L78 HydrophobicContact CH2-CB 4.38Å; W50-L81 HydrophobicContact CD2-CD2 4.17Å; W50-L81 HydrophobicContact CG-CD2 4.03Å; W50-L91 HydrophobicContact CB-CD1 4.22Å; W50-L91 HydrophobicContact CB-CD2 3.63Å; W50-L91 HydrophobicContact CB-CG 4Å; W50-L91 HydrophobicContact CG-CD2 4.16Å; W50-V95 HydrophobicContact CB-CG2 3.91Å; W50-V95 HydrophobicContact CD2-CG2 3.93Å; W50-V95 HydrophobicContact CE3-CB 4.14Å; W50-V95 HydrophobicContact CE3-CG1 3.49Å; W50-V95 VanDerWaalsContact CE3-CG1 3.49Å; W50-V95 HydrophobicContact CE3-CG2 3.5Å; W50-V95 HydrophobicContact CG-CG2 4.16Å; W50-V95 HydrophobicContact CH2-CG1 4.29Å; W50-V95 HydrophobicContact CZ3-CB 4.43Å; W50-V95 HydrophobicContact CZ3-CG1 3.37Å; W50-V95 HydrophobicContact CZ3-CG2 4.26Å
51	E	82.2	Confident	79.4	Confident	90 Å²	90	65.4 Å²	65.4	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-42.4	173.4	-68.3	-176.6	153.6	0	0	111.8	V47 L53 I54 N55 L91	V47-E51 PolarHBondContact O-N 3.43Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 2.92Å; E51-I54 PolarHBondContact O-N 3.08Å; E51-N55 PolarHBondContact O-N 3.35Å; E51-N55 PolarHBondContact O-ND2 3.43Å; E51-L91 HydrophobicContact CG-CD1 3.72Å
52	G	84.2	Confident	78.4	Confident	30 Å²	30	64.2 Å²	64.2	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-57.4	-42.3	170.7	0	0	0	0	0	112.2	L48 K49 W50 N55 C56	L48-G52 PolarHBondContact O-N 3Å; K49-G52 PolarHBondContact O-N 2.99Å; W50-G52 VanDerWaalsContact C-N 3.34Å; G52-N55 WeakPolarHBondContact O-CB 3.47Å; G52-N55 PolarHBondContact O-N 3.45Å; G52-C56 PolarHBondContact O-N 2.76Å; G52-C56 PolarHBondContact O-SG 3.11Å
53	L	84.1	Confident	77.4	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-45.4	178.9	-166.6	76.3	0	0	0	111.9	V36 A39 K49 W50 E51 N55 C56 L57 L74 V95	V36-L53 HydrophobicContact CB-CD1 3.98Å; V36-L53 HydrophobicContact CG1-CD1 4.23Å; V36-L53 HydrophobicContact CG2-CD1 3.56Å; A39-L53 HydrophobicContact CB-CD1 3.77Å; K49-L53 WeakPolarHBondContact O-CB 3.5Å; K49-L53 PolarHBondContact O-N 3.39Å; W50-L53 HydrophobicContact CE3-CB 4.44Å; W50-L53 HydrophobicContact CE3-CD2 3.5Å; W50-L53 HydrophobicContact CZ3-CD2 3.39Å; W50-L53 VanDerWaalsContact O-CB 3.3Å; W50-L53 WeakPolarHBondContact O-CB 3.47Å; W50-L53 PolarHBondContact O-N 3.36Å; W50-L53 VanDerWaalsContact O-N 3.14Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 2.92Å; L53-N55 PolarHBondContact O-N 2.91Å; L53-C56 WeakPolarHBondContact O-CB 3.39Å; L53-C56 PolarHBondContact O-N 3.44Å; L53-C56 VanDerWaalsContact O-N 3.1Å; L53-L57 HydrophobicContact CD2-CD1 4.14Å; L53-L57 HydrophobicContact CG-CD1 3.89Å; L53-L57 HydrophobicContact CG-CG 4.2Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 3.12Å; L53-L74 HydrophobicContact CD2-CD2 4.14Å; L53-V95 HydrophobicContact CD2-CG1 4.34Å
54	I	81.1	Confident	76.6	Confident	33 Å²	33	58.6 Å²	58.6	17%	0.169	32%	0.319	C	S	.	.	H	α-helix	trans	-56.1	-44.4	176.2	-67.9	158	0	0	0	110.4	W50 E51 C56 L57 S58 L91 K94 V95	W50-I54 WeakPolarHBondContact O-CG1 3.31Å; W50-I54 PolarHBondContact O-N 2.82Å; E51-I54 PolarHBondContact O-N 3.08Å; I54-C56 VanDerWaalsContact C-N 3.35Å; I54-C56 PolarHBondContact O-N 3.03Å; I54-L57 PolarHBondContact O-N 3.34Å; I54-S58 WeakPolarHBondContact O-CB 3.27Å; I54-S58 PolarHBondContact O-N 2.84Å; I54-S58 PolarHBondContact O-OG 3.13Å; I54-L91 HydrophobicContact CD1-CD1 4Å; I54-K94 HydrophobicContact CD1-CB 3.54Å; I54-K94 HydrophobicContact CG1-CB 4.45Å; I54-V95 HydrophobicContact CD1-CG2 3.77Å; I54-V95 HydrophobicContact CG1-CB 4.34Å; I54-V95 HydrophobicContact CG1-CG2 3.85Å
55	N	82.5	Confident	76.3	Confident	92 Å²	92	54.2 Å²	54.2	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-64.8	-38.1	178	-72.4	-34.9	0	0	0	112.3	E51 G52 L53 S58 K59	E51-N55 PolarHBondContact O-N 3.35Å; E51-N55 PolarHBondContact O-ND2 3.43Å; G52-N55 WeakPolarHBondContact O-CB 3.47Å; G52-N55 PolarHBondContact O-N 3.45Å; L53-N55 PolarHBondContact O-N 2.91Å; N55-S58 PolarHBondContact O-OG 2.9Å; N55-K59 WeakPolarHBondContact O-CG 3.42Å
56	C	82.9	Confident	76.2	Confident	13 Å²	13	54.1 Å²	54.1	9%	0.088	30%	0.296	C	S	.	.	H	α-helix	trans	-66.3	-51.5	175.1	-62.3	0	0	0	0	110.5	D32 V36 G52 L53 I54 S58 K59 M60	D32-C56 HydrophobicContact CB-CB 3.98Å; V36-C56 HydrophobicContact CG2-CB 4.17Å; G52-C56 PolarHBondContact O-N 2.76Å; G52-C56 PolarHBondContact O-SG 3.11Å; L53-C56 WeakPolarHBondContact O-CB 3.39Å; L53-C56 PolarHBondContact O-N 3.44Å; L53-C56 VanDerWaalsContact O-N 3.1Å; I54-C56 VanDerWaalsContact C-N 3.35Å; I54-C56 PolarHBondContact O-N 3.03Å; C56-S58 VanDerWaalsContact C-N 3.28Å; C56-S58 PolarHBondContact O-N 2.79Å; C56-K59 PolarHBondContact O-N 3.45Å; C56-K59 VanDerWaalsContact O-N 3.08Å; C56-M60 HydrophobicContact CB-CE 4Å; C56-M60 WeakPolarHBondContact O-CG 3.5Å; C56-M60 PolarHBondContact O-N 3.43Å
57	L	78.7	Confident	75.8	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-37.9	-177.6	-70.6	170.9	0	0	0	113	V36 L53 I54 K59 M60 L99 S102 I104	V36-L57 HydrophobicContact CG1-CD2 4.46Å; V36-L57 HydrophobicContact CG2-CD2 3.9Å; V36-L57 HydrophobicContact CG2-CG 4.29Å; L53-L57 HydrophobicContact CD2-CD1 4.14Å; L53-L57 HydrophobicContact CG-CD1 3.89Å; L53-L57 HydrophobicContact CG-CG 4.2Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 VanDerWaalsContact O-CG 3.23Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 3.12Å; I54-L57 PolarHBondContact O-N 3.34Å; L57-K59 VanDerWaalsContact C-N 3.27Å; L57-K59 PolarHBondContact O-N 3Å; L57-M60 PolarHBondContact O-N 3.5Å; L57-L99 HydrophobicContact CD1-CD2 3.47Å; L57-L99 VanDerWaalsContact CD1-CD2 3.47Å; L57-L99 HydrophobicContact CD1-CG 3.81Å; L57-L99 HydrophobicContact CD2-CD2 3.94Å; L57-L99 HydrophobicContact CG-CD2 4.37Å; L57-S102 PolarHBondContact O-OG 3.06Å; L57-I104 HydrophobicContact CD2-CD1 3.36Å; L57-I104 HydrophobicContact CD2-CG1 4.27Å
58	S	76.4	Confident	75.6	Confident	84 Å²	84	52.1 Å²	52.1	59%	0.587	28%	0.28	S	S	*	.	H	α-helix	trans	-70.8	-18.3	179.9	65.6	0	0	0	0	114.5	I54 N55 C56	I54-S58 WeakPolarHBondContact O-CB 3.27Å; I54-S58 PolarHBondContact O-N 2.84Å; I54-S58 PolarHBondContact O-OG 3.13Å; N55-S58 PolarHBondContact O-OG 2.9Å; C56-S58 VanDerWaalsContact C-N 3.28Å; C56-S58 PolarHBondContact O-N 2.79Å
59	K	75.4	Confident	75.5	Confident	123 Å²	123	51.2 Å²	51.2	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-99.1	-8.3	-179.9	-66.1	174.1	-173.7	174	0	113.7	N55 C56 L57	N55-K59 WeakPolarHBondContact O-CG 3.42Å; C56-K59 PolarHBondContact O-N 3.45Å; C56-K59 VanDerWaalsContact O-N 3.08Å; L57-K59 VanDerWaalsContact C-N 3.27Å; L57-K59 PolarHBondContact O-N 3Å
60	M	71.9	Confident	75.4	Confident	14 Å²	14	46.3 Å²	46.3	7%	0.069	25%	0.251	C	S	.	.			trans	-78.8	129.7	-175.4	-72	-174.1	-162.7	0	0	112.2	D32 F33 V36 C56 L57 P103 I104	D32-M60 HydrophobicContact CB-CE 3.89Å; D32-M60 WeakPolarHBondContact O-CE 3.39Å; F33-M60 VanDerWaalsContact CA-CE 3.48Å; F33-M60 HydrophobicContact CB-CE 4.36Å; F33-M60 HydrophobicContact CD2-SD 4.35Å; V36-M60 HydrophobicContact CB-CE 4.19Å; V36-M60 HydrophobicContact CG2-CE 3.28Å; V36-M60 HydrophobicContact CG2-SD 4.27Å; C56-M60 HydrophobicContact CB-CE 4Å; C56-M60 WeakPolarHBondContact O-CG 3.5Å; C56-M60 PolarHBondContact O-N 3.43Å; L57-M60 PolarHBondContact O-N 3.5Å; M60-P103 WeakPolarHBondContact O-CD 3.47Å; M60-P103 VanDerWaalsContact O-CG 3.3Å; M60-P103 WeakPolarHBondContact O-CG 3.48Å; M60-I104 HydrophobicContact CB-CG2 3.89Å; M60-I104 HydrophobicContact CE-CD1 4.43Å; M60-I104 HydrophobicContact CG-CG2 4.26Å; M60-I104 HydrophobicContact SD-CB 4.44Å; M60-I104 HydrophobicContact SD-CD1 3.44Å; M60-I104 WeakPolarHBondContact SD-CD1 3.47Å; M60-I104 HydrophobicContact SD-CG1 4.39Å; M60-I104 HydrophobicContact SD-CG2 3.44Å; M60-I104 WeakPolarHBondContact SD-CG2 3.48Å
61	D	66.5	Low	75.2	Confident	78 Å²	78	46.4 Å²	46.4	42%	0.417	25%	0.251	S	S	.	.			trans	-106.1	155.8	166.5	-64.4	-48.4	0	0	0	110	K29 E63	K29-D61 IonicContact NZ-OD2 2.76Å; K29-D61 PolarHBondContact NZ-OD2 3.38Å; D61-E63 PolarHBondContact O-N 3.31Å
62	V	58.3	Low	75	Confident	47 Å²	47	44.8 Å²	44.8	29%	0.285	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	20.5	-162.8	-158	0	0	0	0	117.9	P103	V62-P103 HydrophobicContact CB-CB 4.04Å; V62-P103 HydrophobicContact CB-CG 4.44Å; V62-P103 HydrophobicContact CG1-CB 4.12Å; V62-P103 HydrophobicContact CG2-CB 3.58Å; V62-P103 HydrophobicContact CG2-CG 3.94Å
63	E	61.4	Low	74.9	Confident	90 Å²	90	46.9 Å²	46.9	42%	0.421	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-21.1	-175.3	-68.3	-179	174.1	0	0	114	H24 D61	H24-E63 IonicContact CE1-OE2 3.56Å; H24-E63 IonicContact CG-OE2 2.66Å; H24-E63 IonicContact ND1-OE2 2.83Å; H24-E63 PolarHBondContact ND1-OE2 3.4Å; D61-E63 PolarHBondContact O-N 3.31Å
64	C	62.8	Low	74.8	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.061	25%	0.245	C	C	.	.			trans	-135.8	143.8	-176.5	-61	0	0	0	0	111.8	C22 H24 F33 I104	C22-C64 WeakPolarHBondContact CA-SG 3.16Å; C22-C64 HydrophobicContact CB-CB 4.4Å; C22-C64 WeakPolarHBondContact CB-SG 3.34Å; C22-C64 WeakPolarHBondContact SG-CB 3.41Å; C22-C64 CovalentContact SG-SG 2.02Å; C22-C64 PolarHBondContact SG-SG 3.17Å; H24-C64 VanDerWaalsContact CE1-SG 3.53Å; H24-C64 PolarHBondContact NE2-SG 2.83Å; F33-C64 HydrophobicContact CD2-CB 3.88Å; F33-C64 HydrophobicContact CE2-CB 3.59Å; F33-C64 HydrophobicContact CZ-CB 4.07Å; C64-I104 WeakPolarHBondContact O-CA 3.42Å; C64-I104 WeakPolarHBondContact O-CG2 3.4Å
65	S	70	Confident	74.6	Confident	29 Å²	29	45.2 Å²	45.2	20%	0.203	24%	0.237	C	C	.	.			trans	-104.4	139.1	168.6	-177.5	0	0	0	0	110.1	K71 D107	S65-K71 PolarHBondContact OG-NZ 3.47Å; S65-D107 VanDerWaalsContact CB-CG 3.48Å; S65-D107 WeakPolarHBondContact CB-OD2 3.47Å; S65-D107 WeakPolarHBondContact OG-CB 3.27Å; S65-D107 PolarHBondContact OG-OD1 3.1Å; S65-D107 PolarHBondContact OG-OD2 3.11Å
66	L	74.1	Confident	74.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.236	C	C	.	.			trans	-74.1	130.9	168.2	-166.4	69.3	0	0	0	109.2	F20 F33 V36 V37 H70 K71 L74 I104 F105	F20-L66 HydrophobicContact CE1-CD1 4.46Å; F33-L66 HydrophobicContact CZ-CD1 4.45Å; V36-L66 HydrophobicContact CG1-CD1 4.3Å; V36-L66 HydrophobicContact CG1-CD2 4.16Å; V37-L66 HydrophobicContact CG2-CD1 4Å; L66-H70 HydrophobicContact CD1-CB 3.65Å; L66-H70 HydrophobicContact CD2-CB 3.76Å; L66-H70 HydrophobicContact CG-CB 3.56Å; L66-K71 HydrophobicContact CB-CG 3.95Å; L66-K71 HydrophobicContact CD2-CG 3.95Å; L66-K71 HydrophobicContact CG-CG 4.14Å; L66-K71 VanDerWaalsContact O-CD 3.31Å; L66-K71 WeakPolarHBondContact O-CD 3.37Å; L66-K71 WeakPolarHBondContact O-CE 3.46Å; L66-K71 PolarHBondContact O-NZ 2.7Å; L66-K71 VanDerWaalsContact O-NZ 3.15Å; L66-L74 HydrophobicContact CD2-CD1 3.56Å; L66-I104 PolarHBondContact N-O 3.28Å; L66-F105 HydrophobicContact CD2-CD2 4.48Å; L66-F105 HydrophobicContact CD2-CE2 4.02Å
67	P	75.1	Confident	74.4	Confident	39 Å²	39	44.9 Å²	44.9	25%	0.253	24%	0.235	S	C	.	.			trans	-62	150	176.5	-20.3	32.8	0	0	0	110.2	F20 E69 H70 K71	F20-P67 HydrophobicContact CD1-CG 3.51Å; F20-P67 HydrophobicContact CE1-CG 3.41Å; F20-P67 VanDerWaalsContact CE1-CG 3.41Å; P67-E69 PolarHBondContact O-N 2.62Å; P67-E69 VanDerWaalsContact O-N 3.1Å; P67-H70 PolarHBondContact O-N 3.49Å; P67-K71 PolarHBondContact O-N 3.32Å
68	M	73.9	Confident	74.5	Confident	55 Å²	55	44.9 Å²	44.9	27%	0.271	24%	0.235	S	C	.	.	H	α-helix	trans	-57.2	-32.6	-173.7	-170	60.8	-174.9	0	0	113.3	K71 N72 D114	M68-K71 PolarHBondContact O-N 2.88Å; M68-K71 HydrophobicContact SD-CB 4.4Å; M68-K71 HydrophobicContact SD-CD 4.28Å; M68-N72 WeakPolarHBondContact CE-OD1 3.41Å; M68-N72 WeakPolarHBondContact O-CB 3.15Å; M68-N72 VanDerWaalsContact O-CG 3.26Å; M68-N72 PolarHBondContact O-N 3.37Å; M68-N72 PolarHBondContact O-ND2 3.07Å; M68-N72 VanDerWaalsContact O-ND2 3.16Å; M68-D114 HydrophobicContact CE-CB 3.5Å; M68-D114 VanDerWaalsContact CE-CB 3.5Å; M68-D114 VanDerWaalsContact CE-CG 3.43Å; M68-D114 WeakPolarHBondContact CE-OD1 3.3Å; M68-D114 HydrophobicContact SD-CB 3.97Å
69	E	79	Confident	74.4	Confident	118 Å²	118	42.5 Å²	42.5	55%	0.551	22%	0.218	S	C	*	.	H	α-helix	trans	-60	-49	175.5	-170.9	-173.1	151.6	0	0	112	P67 N72 K73	P67-E69 PolarHBondContact O-N 2.62Å; P67-E69 VanDerWaalsContact O-N 3.1Å; E69-N72 PolarHBondContact O-N 3.45Å; E69-K73 WeakPolarHBondContact O-CG 3.04Å; E69-K73 PolarHBondContact O-N 2.97Å; E69-K73 WeakPolarHBondContact OE1-CE 3.42Å; E69-K73 IonicContact OE1-NZ 2.76Å; E69-K73 PolarHBondContact OE1-NZ 3.17Å
70	H	81.2	Confident	74.6	Confident	18 Å²	18	41.7 Å²	41.7	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-69.4	-36.3	179.2	-67.1	-80.1	0	0	0	111.6	S40 C41 L66 P67 K73 L74	S40-H70 WeakPolarHBondContact OG-CB 3.38Å; S40-H70 PolarHBondContact OG-ND1 3.05Å; C41-H70 VanDerWaalsContact SG-CE1 3.58Å; L66-H70 HydrophobicContact CD1-CB 3.65Å; L66-H70 HydrophobicContact CD2-CB 3.76Å; L66-H70 HydrophobicContact CG-CB 3.56Å; P67-H70 PolarHBondContact O-N 3.49Å; H70-K73 PolarHBondContact O-N 3.4Å; H70-L74 WeakPolarHBondContact O-CG 3.23Å; H70-L74 PolarHBondContact O-N 2.88Å
71	K	77.7	Confident	75	Confident	5 Å²	5	41.8 Å²	41.8	2%	0.022	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-51	170.6	-69.4	174.2	169	162.3	0	110.6	S65 L66 P67 M68 K73 L74 I75 I104 F105 D107	S65-K71 PolarHBondContact OG-NZ 3.47Å; L66-K71 HydrophobicContact CB-CG 3.95Å; L66-K71 HydrophobicContact CD2-CG 3.95Å; L66-K71 HydrophobicContact CG-CG 4.14Å; L66-K71 VanDerWaalsContact O-CD 3.31Å; L66-K71 WeakPolarHBondContact O-CD 3.37Å; L66-K71 WeakPolarHBondContact O-CE 3.46Å; L66-K71 PolarHBondContact O-NZ 2.7Å; L66-K71 VanDerWaalsContact O-NZ 3.15Å; P67-K71 PolarHBondContact O-N 3.32Å; M68-K71 PolarHBondContact O-N 2.88Å; M68-K71 HydrophobicContact SD-CB 4.4Å; M68-K71 HydrophobicContact SD-CD 4.28Å; K71-K73 PolarHBondContact O-N 3.35Å; K71-L74 PolarHBondContact O-N 3.23Å; K71-I75 VanDerWaalsContact O-CD1 3.3Å; K71-I75 WeakPolarHBondContact O-CD1 3.42Å; K71-I75 WeakPolarHBondContact O-CG1 3.42Å; K71-I75 PolarHBondContact O-N 3.01Å; K71-I104 VanDerWaalsContact CE-O 3.29Å; K71-I104 WeakPolarHBondContact CE-O 3.5Å; K71-F105 HydrophobicContact CB-CE1 4.06Å; K71-F105 HydrophobicContact CB-CE2 4.09Å; K71-F105 HydrophobicContact CB-CZ 3.67Å; K71-F105 WeakPolarHBondContact CE-O 3.37Å; K71-F105 HydrophobicContact CG-CD1 4.46Å; K71-F105 HydrophobicContact CG-CD2 4.15Å; K71-F105 HydrophobicContact CG-CE1 4.17Å; K71-F105 HydrophobicContact CG-CE2 3.81Å; K71-F105 HydrophobicContact CG-CG 4.47Å; K71-F105 HydrophobicContact CG-CZ 3.84Å; K71-F105 PolarHBondContact NZ-O 2.98Å; K71-F105 VanDerWaalsContact NZ-O 3.11Å; K71-D107 IonicContact NZ-OD1 3.64Å; K71-D107 PolarHBondContact NZ-OD1 2.99Å
72	N	77.2	Confident	75.2	Confident	56 Å²	56	38.1 Å²	38.1	30%	0.299	20%	0.197	S	C	.	.	H	α-helix	trans	-61.3	-41.9	178.5	-72.2	-32.2	0	0	0	112.8	M68 E69 I75 N76	M68-N72 WeakPolarHBondContact CE-OD1 3.41Å; M68-N72 WeakPolarHBondContact O-CB 3.15Å; M68-N72 VanDerWaalsContact O-CG 3.26Å; M68-N72 PolarHBondContact O-N 3.37Å; M68-N72 PolarHBondContact O-ND2 3.07Å; M68-N72 VanDerWaalsContact O-ND2 3.16Å; E69-N72 PolarHBondContact O-N 3.45Å; N72-I75 PolarHBondContact O-N 3.24Å; N72-N76 VanDerWaalsContact O-CG 3.28Å; N72-N76 PolarHBondContact O-N 3.15Å; N72-N76 PolarHBondContact O-ND2 3.41Å
73	K	81.7	Confident	75.8	Confident	75 Å²	75	38.9 Å²	38.9	33%	0.326	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-46.8	177.4	-74.7	177.7	176	169.3	0	111.7	S40 E69 H70 K71 I75 N76 L77	S40-K73 WeakPolarHBondContact O-CB 3.45Å; S40-K73 WeakPolarHBondContact O-CD 3.5Å; E69-K73 WeakPolarHBondContact O-CG 3.04Å; E69-K73 PolarHBondContact O-N 2.97Å; E69-K73 WeakPolarHBondContact OE1-CE 3.42Å; E69-K73 IonicContact OE1-NZ 2.76Å; E69-K73 PolarHBondContact OE1-NZ 3.17Å; H70-K73 PolarHBondContact O-N 3.4Å; K71-K73 PolarHBondContact O-N 3.35Å; K73-I75 VanDerWaalsContact C-N 3.32Å; K73-I75 PolarHBondContact O-N 3.18Å; K73-N76 PolarHBondContact O-N 3.23Å; K73-L77 WeakPolarHBondContact O-CG 3.44Å; K73-L77 PolarHBondContact O-N 3.25Å
74	L	82	Confident	76.5	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-39.5	176.1	-73.3	173.6	0	0	0	112.5	V36 A39 W50 L53 L66 H70 K71 L77 L78 L99 F105	V36-L74 HydrophobicContact CG1-CD1 3.87Å; A39-L74 HydrophobicContact CB-CD2 4.22Å; W50-L74 HydrophobicContact CZ3-CD2 4.4Å; L53-L74 HydrophobicContact CD2-CD2 4.14Å; L66-L74 HydrophobicContact CD2-CD1 3.56Å; H70-L74 WeakPolarHBondContact O-CG 3.23Å; H70-L74 PolarHBondContact O-N 2.88Å; K71-L74 PolarHBondContact O-N 3.23Å; L74-L77 PolarHBondContact O-N 2.98Å; L74-L78 VanDerWaalsContact O-CB 3.27Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 2.94Å; L74-L99 HydrophobicContact CD1-CD2 4.4Å; L74-F105 HydrophobicContact CD1-CE2 4.13Å
75	I	77.6	Confident	77.1	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-67.1	-41.1	177.5	-58.4	154.3	0	0	0	110.9	K71 N72 K73 L77 L78 S79 F105 I118 L121	K71-I75 VanDerWaalsContact O-CD1 3.3Å; K71-I75 WeakPolarHBondContact O-CD1 3.42Å; K71-I75 WeakPolarHBondContact O-CG1 3.42Å; K71-I75 PolarHBondContact O-N 3.01Å; N72-I75 PolarHBondContact O-N 3.24Å; K73-I75 VanDerWaalsContact C-N 3.32Å; K73-I75 PolarHBondContact O-N 3.18Å; I75-L77 PolarHBondContact O-N 2.91Å; I75-L78 WeakPolarHBondContact O-CB 3.32Å; I75-L78 PolarHBondContact O-N 3.1Å; I75-S79 PolarHBondContact O-N 2.96Å; I75-S79 PolarHBondContact O-OG 3.32Å; I75-F105 HydrophobicContact CD1-CE1 4.05Å; I75-F105 HydrophobicContact CD1-CZ 4.26Å; I75-F105 HydrophobicContact CG1-CE1 4.11Å; I75-F105 HydrophobicContact CG1-CZ 4.03Å; I75-I118 HydrophobicContact CD1-CB 4.39Å; I75-I118 HydrophobicContact CD1-CD1 4.45Å; I75-I118 HydrophobicContact CD1-CG1 3.46Å; I75-I118 VanDerWaalsContact CD1-CG1 3.46Å; I75-I118 HydrophobicContact CG1-CG1 4.49Å; I75-L121 HydrophobicContact CB-CD1 4.19Å; I75-L121 HydrophobicContact CD1-CD1 4.5Å; I75-L121 HydrophobicContact CG2-CB 3.4Å; I75-L121 VanDerWaalsContact CG2-CB 3.4Å; I75-L121 HydrophobicContact CG2-CD1 3.35Å; I75-L121 HydrophobicContact CG2-CG 3.94Å
76	N	80	Confident	77.2	Confident	87 Å²	87	44.1 Å²	44.1	47%	0.465	24%	0.242	S	C	.	.	H	α-helix	trans	-63	-42.8	176.9	-71.6	-17.9	0	0	0	111.8	N72 K73 L78 S79 Q80	N72-N76 VanDerWaalsContact O-CG 3.28Å; N72-N76 PolarHBondContact O-N 3.15Å; N72-N76 PolarHBondContact O-ND2 3.41Å; K73-N76 PolarHBondContact O-N 3.23Å; N76-L78 VanDerWaalsContact C-N 3.32Å; N76-S79 PolarHBondContact O-N 2.73Å; N76-Q80 WeakPolarHBondContact O-CG 3.48Å; N76-Q80 PolarHBondContact O-N 2.98Å; N76-Q80 VanDerWaalsContact O-N 3.08Å
77	L	81.4	Confident	77.3	Confident	12 Å²	12	50 Å²	50	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-39.3	175	-70.9	166.7	0	0	0	111.3	E43 V45 W50 K73 L74 I75 Q80 L81	E43-L77 WeakPolarHBondContact O-CD2 3.39Å; V45-L77 HydrophobicContact CG2-CD1 3.83Å; W50-L77 HydrophobicContact CH2-CB 3.81Å; W50-L77 HydrophobicContact CZ2-CB 3.63Å; K73-L77 WeakPolarHBondContact O-CG 3.44Å; K73-L77 PolarHBondContact O-N 3.25Å; L74-L77 PolarHBondContact O-N 2.98Å; I75-L77 PolarHBondContact O-N 2.91Å; L77-Q80 WeakPolarHBondContact O-CB 3.45Å; L77-Q80 PolarHBondContact O-N 3.48Å; L77-L81 PolarHBondContact O-N 2.97Å
78	L	80.4	Confident	77.3	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-44.4	174	179.9	68.8	0	0	0	111.4	W50 L74 I75 N76 Q80 L81 Y82 A92 V95 L96 L99 L122	W50-L78 HydrophobicContact CH2-CB 4.38Å; L74-L78 VanDerWaalsContact O-CB 3.27Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 2.94Å; I75-L78 WeakPolarHBondContact O-CB 3.32Å; I75-L78 PolarHBondContact O-N 3.1Å; N76-L78 VanDerWaalsContact C-N 3.32Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 2.92Å; L78-L81 WeakPolarHBondContact O-CB 3.48Å; L78-L81 PolarHBondContact O-N 3.48Å; L78-Y82 HydrophobicContact CD1-CD2 4.16Å; L78-Y82 HydrophobicContact CD1-CE2 3.88Å; L78-Y82 HydrophobicContact CD2-CE2 4.21Å; L78-Y82 HydrophobicContact CG-CD2 3.95Å; L78-Y82 HydrophobicContact CG-CE2 3.81Å; L78-Y82 VanDerWaalsContact O-CD2 3.27Å; L78-Y82 WeakPolarHBondContact O-CD2 3.36Å; L78-Y82 PolarHBondContact O-N 3.16Å; L78-A92 HydrophobicContact CD1-CB 3.69Å; L78-A92 WeakPolarHBondContact CD1-O 3.33Å; L78-V95 HydrophobicContact CD1-CB 3.9Å; L78-V95 HydrophobicContact CD1-CG1 3.8Å; L78-L96 HydrophobicContact CD2-CB 4.1Å; L78-L96 HydrophobicContact CD2-CD1 4.04Å; L78-L99 HydrophobicContact CD2-CD1 4.25Å; L78-L122 HydrophobicContact CD2-CD2 3.77Å
79	S	75.3	Confident	77.1	Confident	35 Å²	35	46.3 Å²	46.3	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-37.1	175.9	-62.6	0	0	0	0	112.5	I75 N76 Y82 A83	I75-S79 PolarHBondContact O-N 2.96Å; I75-S79 PolarHBondContact O-OG 3.32Å; N76-S79 PolarHBondContact O-N 2.73Å; S79-Y82 PolarHBondContact O-N 3.24Å; S79-A83 PolarHBondContact O-N 3.48Å
80	Q	79.8	Confident	76.9	Confident	106 Å²	106	45.4 Å²	45.4	50%	0.495	25%	0.25	S	S	.	.	H	α-helix	trans	-66.1	-41.5	173.8	-68.2	173.8	13.1	0	0	111.8	N76 L77 L78 Y82 A83 S84	N76-Q80 WeakPolarHBondContact O-CG 3.48Å; N76-Q80 PolarHBondContact O-N 2.98Å; N76-Q80 VanDerWaalsContact O-N 3.08Å; L77-Q80 WeakPolarHBondContact O-CB 3.45Å; L77-Q80 PolarHBondContact O-N 3.48Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 2.92Å; Q80-Y82 VanDerWaalsContact C-N 3.31Å; Q80-Y82 PolarHBondContact O-N 3.33Å; Q80-A83 PolarHBondContact O-N 2.88Å; Q80-A83 VanDerWaalsContact O-N 3.13Å; Q80-S84 PolarHBondContact O-N 3.33Å; Q80-S84 PolarHBondContact O-OG 3.27Å
81	L	78.7	Confident	76.8	Confident	15 Å²	15	45.1 Å²	45.1	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-39.6	177.7	-171	70.9	0	0	0	111.6	W50 L77 L78 A83 S84 S88 L91 A92	W50-L81 HydrophobicContact CD2-CD2 4.17Å; W50-L81 HydrophobicContact CG-CD2 4.03Å; L77-L81 PolarHBondContact O-N 2.97Å; L78-L81 WeakPolarHBondContact O-CB 3.48Å; L78-L81 PolarHBondContact O-N 3.48Å; L81-A83 VanDerWaalsContact C-N 3.33Å; L81-A83 PolarHBondContact O-N 3.1Å; L81-S84 PolarHBondContact O-N 2.96Å; L81-S88 WeakPolarHBondContact CG-O 3.33Å; L81-S88 CarbonylContact O-C 3.57Å; L81-S88 VanDerWaalsContact O-CB 3.32Å; L81-S88 WeakPolarHBondContact O-CB 3.38Å; L81-L91 HydrophobicContact CD1-CD2 4.39Å; L81-L91 HydrophobicContact CD2-CB 4.21Å; L81-L91 HydrophobicContact CD2-CD2 4.06Å; L81-L91 HydrophobicContact CD2-CG 3.99Å; L81-A92 HydrophobicContact CB-CB 4.14Å; L81-A92 HydrophobicContact CD2-CB 3.67Å; L81-A92 HydrophobicContact CG-CB 3.92Å
82	Y	71.4	Confident	76.8	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-33.8	173.3	-88.3	-72.7	0	0	0	114	L78 S79 Q80 S84 A89 A92 E93 L96 A125 K126 A129	L78-Y82 HydrophobicContact CD1-CD2 4.16Å; L78-Y82 HydrophobicContact CD1-CE2 3.88Å; L78-Y82 HydrophobicContact CD2-CE2 4.21Å; L78-Y82 HydrophobicContact CG-CD2 3.95Å; L78-Y82 HydrophobicContact CG-CE2 3.81Å; L78-Y82 VanDerWaalsContact O-CD2 3.27Å; L78-Y82 WeakPolarHBondContact O-CD2 3.36Å; L78-Y82 PolarHBondContact O-N 3.16Å; S79-Y82 PolarHBondContact O-N 3.24Å; Q80-Y82 VanDerWaalsContact C-N 3.31Å; Q80-Y82 PolarHBondContact O-N 3.33Å; Y82-S84 VanDerWaalsContact C-N 3.27Å; Y82-S84 PolarHBondContact O-N 3.21Å; Y82-A89 HydrophobicContact CD1-CB 4.35Å; Y82-A92 HydrophobicContact CD1-CB 3.78Å; Y82-A92 HydrophobicContact CD2-CB 3.36Å; Y82-A92 HydrophobicContact CE1-CB 3.84Å; Y82-A92 HydrophobicContact CE2-CB 3.42Å; Y82-A92 VanDerWaalsContact CE2-CB 3.42Å; Y82-A92 HydrophobicContact CG-CB 3.57Å; Y82-E93 HydrophobicContact CE1-CG 3.84Å; Y82-E93 WeakPolarHBondContact OH-CA 3.3Å; Y82-E93 PolarHBondContact OH-N 3.03Å; Y82-L96 WeakPolarHBondContact OH-CD2 3.32Å; Y82-A125 HydrophobicContact CD1-CB 4.36Å; Y82-A125 HydrophobicContact CD2-CB 3.29Å; Y82-A125 HydrophobicContact CE2-CB 3.64Å; Y82-A125 HydrophobicContact CG-CB 3.67Å; Y82-K126 HydrophobicContact CE1-CD 4.32Å; Y82-K126 WeakPolarHBondContact OH-CE 3.19Å; Y82-A129 HydrophobicContact CD1-CB 4.05Å
83	A	71.8	Confident	76.5	Confident	63 Å²	63	46.2 Å²	46.2	52%	0.521	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.6	-177.6	0	0	0	0	0	114.1	S79 Q80 L81	S79-A83 PolarHBondContact O-N 3.48Å; Q80-A83 PolarHBondContact O-N 2.88Å; Q80-A83 VanDerWaalsContact O-N 3.13Å; L81-A83 VanDerWaalsContact C-N 3.33Å; L81-A83 PolarHBondContact O-N 3.1Å
84	S	74.7	Confident	76.4	Confident	71 Å²	71	48.5 Å²	48.5	50%	0.497	26%	0.263	S	S	.	.	S	Bend	trans	-89.5	-102.6	-172.5	-63.9	0	0	0	0	112	Q80 L81 Y82	Q80-S84 PolarHBondContact O-N 3.33Å; Q80-S84 PolarHBondContact O-OG 3.27Å; L81-S84 PolarHBondContact O-N 2.96Å; Y82-S84 VanDerWaalsContact C-N 3.27Å; Y82-S84 PolarHBondContact O-N 3.21Å
85	D	75.6	Confident	76.3	Confident	83 Å²	83	48.5 Å²	48.5	44%	0.444	26%	0.263	S	S	.	.			trans	-120	171.1	176.6	59.4	53.6	0	0	0	111	D87 S88 A89	D85-D87 VanDerWaalsContact C-N 3.31Å; D85-D87 PolarHBondContact O-N 2.98Å; D85-D87 PolarHBondContact OD1-N 3.46Å; D85-S88 VanDerWaalsContact CG-OG 3.25Å; D85-S88 WeakPolarHBondContact O-CB 3.25Å; D85-S88 PolarHBondContact O-N 3.42Å; D85-S88 VanDerWaalsContact OD1-CB 3.24Å; D85-S88 WeakPolarHBondContact OD1-CB 3.41Å; D85-S88 PolarHBondContact OD1-N 3.43Å; D85-S88 PolarHBondContact OD1-OG 2.83Å; D85-S88 PolarHBondContact OD2-OG 3.01Å; D85-A89 PolarHBondContact O-N 2.72Å
86	N	71.8	Confident	76.2	Confident	84 Å²	84	49.1 Å²	49.1	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-37.4	-176.2	-167.3	-4.3	0	0	0	112.4	S88 A89 Q90	N86-S88 VanDerWaalsContact C-N 3.34Å; N86-A89 PolarHBondContact O-N 3.38Å; N86-Q90 WeakPolarHBondContact O-CG 3.45Å; N86-Q90 PolarHBondContact O-N 3.4Å
87	D	76.6	Confident	75.8	Confident	125 Å²	125	48 Å²	48	67%	0.668	26%	0.259	S	S	*	.	H	α-helix	trans	-67.2	-39.5	178.2	-66.8	-21.7	0	0	0	110.8	D85 Q90 L91	D85-D87 VanDerWaalsContact C-N 3.31Å; D85-D87 PolarHBondContact O-N 2.98Å; D85-D87 PolarHBondContact OD1-N 3.46Å; D87-Q90 PolarHBondContact O-N 3.37Å; D87-L91 PolarHBondContact O-N 3.46Å
88	S	75.3	Confident	75.6	Confident	11 Å²	11	47.8 Å²	47.8	8%	0.077	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-41.3	173.8	-61.3	0	0	0	0	111.5	L81 D85 N86 Q90 L91 A92	L81-S88 WeakPolarHBondContact CG-O 3.33Å; L81-S88 CarbonylContact O-C 3.57Å; L81-S88 VanDerWaalsContact O-CB 3.32Å; L81-S88 WeakPolarHBondContact O-CB 3.38Å; D85-S88 VanDerWaalsContact CG-OG 3.25Å; D85-S88 WeakPolarHBondContact O-CB 3.25Å; D85-S88 PolarHBondContact O-N 3.42Å; D85-S88 VanDerWaalsContact OD1-CB 3.24Å; D85-S88 WeakPolarHBondContact OD1-CB 3.41Å; D85-S88 PolarHBondContact OD1-N 3.43Å; D85-S88 PolarHBondContact OD1-OG 2.83Å; D85-S88 PolarHBondContact OD2-OG 3.01Å; N86-S88 VanDerWaalsContact C-N 3.34Å; S88-Q90 PolarHBondContact O-N 2.96Å; S88-L91 WeakPolarHBondContact O-CB 3.49Å; S88-L91 PolarHBondContact O-N 3.44Å; S88-A92 WeakPolarHBondContact O-CB 3.19Å; S88-A92 PolarHBondContact O-N 2.66Å
89	A	70.5	Confident	75.3	Confident	5 Å²	5	47.9 Å²	47.9	4%	0.041	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-45.5	175	0	0	0	0	0	111.4	Y82 D85 N86 L91 A92 E93 A129	Y82-A89 HydrophobicContact CD1-CB 4.35Å; D85-A89 PolarHBondContact O-N 2.72Å; N86-A89 PolarHBondContact O-N 3.38Å; A89-L91 VanDerWaalsContact C-N 3.31Å; A89-L91 PolarHBondContact O-N 3.2Å; A89-A92 WeakPolarHBondContact O-CA 3.15Å; A89-A92 VanDerWaalsContact O-CB 3.31Å; A89-A92 WeakPolarHBondContact O-CB 3.37Å; A89-A92 PolarHBondContact O-N 2.83Å; A89-A92 VanDerWaalsContact O-N 3.11Å; A89-E93 WeakPolarHBondContact O-CG 3.19Å; A89-E93 PolarHBondContact O-N 3.11Å; A89-A129 HydrophobicContact CB-CB 4.18Å
90	Q	74.9	Confident	74.9	Confident	100 Å²	100	48.8 Å²	48.8	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-37.2	175.3	-70.2	178.3	22.7	0	0	112.8	N86 D87 S88 E93 K94	N86-Q90 WeakPolarHBondContact O-CG 3.45Å; N86-Q90 PolarHBondContact O-N 3.4Å; D87-Q90 PolarHBondContact O-N 3.37Å; S88-Q90 PolarHBondContact O-N 2.96Å; Q90-E93 PolarHBondContact O-N 2.84Å; Q90-K94 PolarHBondContact O-N 2.93Å
91	L	79.4	Confident	74.4	Confident	12 Å²	12	52.5 Å²	52.5	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-64.9	-42.6	173.1	-179.3	63.4	0	0	0	111.1	V47 W50 E51 I54 L81 D87 S88 A89 E93 K94 V95	V47-L91 HydrophobicContact CB-CD2 4.02Å; V47-L91 HydrophobicContact CG1-CD2 3.74Å; V47-L91 HydrophobicContact CG2-CD2 4.03Å; W50-L91 HydrophobicContact CB-CD1 4.22Å; W50-L91 HydrophobicContact CB-CD2 3.63Å; W50-L91 HydrophobicContact CB-CG 4Å; W50-L91 HydrophobicContact CG-CD2 4.16Å; E51-L91 HydrophobicContact CG-CD1 3.72Å; I54-L91 HydrophobicContact CD1-CD1 4Å; L81-L91 HydrophobicContact CD1-CD2 4.39Å; L81-L91 HydrophobicContact CD2-CB 4.21Å; L81-L91 HydrophobicContact CD2-CD2 4.06Å; L81-L91 HydrophobicContact CD2-CG 3.99Å; D87-L91 PolarHBondContact O-N 3.46Å; S88-L91 WeakPolarHBondContact O-CB 3.49Å; S88-L91 PolarHBondContact O-N 3.44Å; A89-L91 VanDerWaalsContact C-N 3.31Å; A89-L91 PolarHBondContact O-N 3.2Å; L91-E93 VanDerWaalsContact C-N 3.26Å; L91-E93 PolarHBondContact O-N 3.09Å; L91-K94 PolarHBondContact O-N 3.45Å; L91-K94 VanDerWaalsContact O-N 3.08Å; L91-V95 HydrophobicContact CG-CG2 4.42Å; L91-V95 WeakPolarHBondContact O-CG2 3.37Å; L91-V95 PolarHBondContact O-N 3.42Å
92	A	75.9	Confident	74.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.4	-38.1	177	0	0	0	0	0	111.6	L78 L81 Y82 S88 A89 K94 V95 L96	L78-A92 HydrophobicContact CD1-CB 3.69Å; L78-A92 WeakPolarHBondContact CD1-O 3.33Å; L81-A92 HydrophobicContact CB-CB 4.14Å; L81-A92 HydrophobicContact CD2-CB 3.67Å; L81-A92 HydrophobicContact CG-CB 3.92Å; Y82-A92 HydrophobicContact CD1-CB 3.78Å; Y82-A92 HydrophobicContact CD2-CB 3.36Å; Y82-A92 HydrophobicContact CE1-CB 3.84Å; Y82-A92 HydrophobicContact CE2-CB 3.42Å; Y82-A92 VanDerWaalsContact CE2-CB 3.42Å; Y82-A92 HydrophobicContact CG-CB 3.57Å; S88-A92 WeakPolarHBondContact O-CB 3.19Å; S88-A92 PolarHBondContact O-N 2.66Å; A89-A92 WeakPolarHBondContact O-CA 3.15Å; A89-A92 VanDerWaalsContact O-CB 3.31Å; A89-A92 WeakPolarHBondContact O-CB 3.37Å; A89-A92 PolarHBondContact O-N 2.83Å; A89-A92 VanDerWaalsContact O-N 3.11Å; A92-K94 VanDerWaalsContact C-N 3.34Å; A92-K94 PolarHBondContact O-N 3.38Å; A92-V95 PolarHBondContact O-N 3.29Å; A92-L96 WeakPolarHBondContact O-CB 3.45Å; A92-L96 PolarHBondContact O-N 3.46Å
93	E	72.7	Confident	73.9	Confident	83 Å²	83	52.6 Å²	52.6	39%	0.388	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-41.6	173.3	-62.5	-169.2	157.9	0	0	113.1	Y82 A89 Q90 L91 L96 D97 K126	Y82-E93 HydrophobicContact CE1-CG 3.84Å; Y82-E93 WeakPolarHBondContact OH-CA 3.3Å; Y82-E93 PolarHBondContact OH-N 3.03Å; A89-E93 WeakPolarHBondContact O-CG 3.19Å; A89-E93 PolarHBondContact O-N 3.11Å; Q90-E93 PolarHBondContact O-N 2.84Å; L91-E93 VanDerWaalsContact C-N 3.26Å; L91-E93 PolarHBondContact O-N 3.09Å; E93-L96 WeakPolarHBondContact O-CB 3.22Å; E93-L96 PolarHBondContact O-N 2.88Å; E93-D97 PolarHBondContact O-N 2.76Å; E93-K126 VanDerWaalsContact CG-NZ 3.34Å; E93-K126 IonicContact OE1-NZ 2.86Å; E93-K126 PolarHBondContact OE1-NZ 2.82Å; E93-K126 IonicContact OE2-NZ 3.91Å
94	K	79.3	Confident	73.6	Confident	124 Å²	124	49.7 Å²	49.7	54%	0.539	25%	0.25	S	C	.	.	H	α-helix	trans	-70	-42.2	178.3	-66.1	174.9	-177.1	169.4	0	111.9	I54 Q90 L91 A92 L96 D97 G98	I54-K94 HydrophobicContact CD1-CB 3.54Å; I54-K94 HydrophobicContact CG1-CB 4.45Å; Q90-K94 PolarHBondContact O-N 2.93Å; L91-K94 PolarHBondContact O-N 3.45Å; L91-K94 VanDerWaalsContact O-N 3.08Å; A92-K94 VanDerWaalsContact C-N 3.34Å; A92-K94 PolarHBondContact O-N 3.38Å; K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 3.39Å; K94-D97 PolarHBondContact O-N 2.91Å; K94-G98 PolarHBondContact O-N 3.47Å
95	V	80.1	Confident	73.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-46.4	174.4	171.8	0	0	0	0	109.4	W50 L53 I54 L78 L91 A92 G98 L99	W50-V95 HydrophobicContact CB-CG2 3.91Å; W50-V95 HydrophobicContact CD2-CG2 3.93Å; W50-V95 HydrophobicContact CE3-CB 4.14Å; W50-V95 HydrophobicContact CE3-CG1 3.49Å; W50-V95 VanDerWaalsContact CE3-CG1 3.49Å; W50-V95 HydrophobicContact CE3-CG2 3.5Å; W50-V95 HydrophobicContact CG-CG2 4.16Å; W50-V95 HydrophobicContact CH2-CG1 4.29Å; W50-V95 HydrophobicContact CZ3-CB 4.43Å; W50-V95 HydrophobicContact CZ3-CG1 3.37Å; W50-V95 HydrophobicContact CZ3-CG2 4.26Å; L53-V95 HydrophobicContact CD2-CG1 4.34Å; I54-V95 HydrophobicContact CD1-CG2 3.77Å; I54-V95 HydrophobicContact CG1-CB 4.34Å; I54-V95 HydrophobicContact CG1-CG2 3.85Å; L78-V95 HydrophobicContact CD1-CB 3.9Å; L78-V95 HydrophobicContact CD1-CG1 3.8Å; L91-V95 HydrophobicContact CG-CG2 4.42Å; L91-V95 WeakPolarHBondContact O-CG2 3.37Å; L91-V95 PolarHBondContact O-N 3.42Å; A92-V95 PolarHBondContact O-N 3.29Å; V95-G98 WeakPolarHBondContact O-CA 3.36Å; V95-G98 PolarHBondContact O-N 2.93Å; V95-L99 HydrophobicContact CG1-CD1 3.95Å; V95-L99 HydrophobicContact CG1-CG 4.3Å; V95-L99 WeakPolarHBondContact O-CG 3.29Å; V95-L99 PolarHBondContact O-N 3.08Å
96	L	74.3	Confident	72.5	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-57.8	-52.5	178.2	175.2	51.7	0	0	0	111.8	L78 Y82 A92 E93 K94 G98 L99 L100 L122	L78-L96 HydrophobicContact CD2-CB 4.1Å; L78-L96 HydrophobicContact CD2-CD1 4.04Å; Y82-L96 WeakPolarHBondContact OH-CD2 3.32Å; A92-L96 WeakPolarHBondContact O-CB 3.45Å; A92-L96 PolarHBondContact O-N 3.46Å; E93-L96 WeakPolarHBondContact O-CB 3.22Å; E93-L96 PolarHBondContact O-N 2.88Å; K94-L96 VanDerWaalsContact C-N 3.26Å; K94-L96 PolarHBondContact O-N 3.39Å; L96-G98 PolarHBondContact O-N 3.18Å; L96-L99 PolarHBondContact O-N 3Å; L96-L100 HydrophobicContact CD1-CD1 3.92Å; L96-L100 HydrophobicContact CD1-CD2 4.3Å; L96-L100 HydrophobicContact CD1-CG 3.74Å; L96-L100 HydrophobicContact CG-CD1 3.94Å; L96-L100 HydrophobicContact CG-CG 4.23Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.16Å; L96-L122 HydrophobicContact CD1-CD1 3.46Å; L96-L122 VanDerWaalsContact CD1-CD1 3.46Å; L96-L122 HydrophobicContact CD1-CD2 3.03Å; L96-L122 HydrophobicContact CD1-CG 3.7Å; L96-L122 HydrophobicContact CD2-CB 4.16Å; L96-L122 HydrophobicContact CD2-CD1 4.29Å; L96-L122 HydrophobicContact CD2-CD2 3.72Å; L96-L122 HydrophobicContact CD2-CG 4.17Å; L96-L122 HydrophobicContact CG-CD1 4.39Å; L96-L122 HydrophobicContact CG-CD2 3.94Å
97	D	73	Confident	72	Confident	62 Å²	62	42.7 Å²	42.7	33%	0.332	20%	0.204	S	C	.	.	H	α-helix	trans	-56.8	-39.7	178.1	-176.4	60.8	0	0	0	111.6	E93 K94 L100 R101	E93-D97 PolarHBondContact O-N 2.76Å; K94-D97 PolarHBondContact O-N 2.91Å; D97-L100 PolarHBondContact O-N 2.94Å; D97-R101 WeakPolarHBondContact O-CB 3.46Å; D97-R101 WeakPolarHBondContact O-CG 3.37Å; D97-R101 PolarHBondContact O-N 3.4Å; D97-R101 VanDerWaalsContact O-N 3.08Å; D97-R101 IonicContact OD1-CZ 2.79Å; D97-R101 IonicContact OD1-NE 2.95Å; D97-R101 PolarHBondContact OD1-NE 3.35Å; D97-R101 IonicContact OD1-NH2 3.08Å; D97-R101 PolarHBondContact OD1-NH2 3.43Å; D97-R101 IonicContact OD2-CZ 3.36Å; D97-R101 IonicContact OD2-NE 2.93Å; D97-R101 PolarHBondContact OD2-NE 3.02Å; D97-R101 IonicContact OD2-NH1 3.07Å; D97-R101 PolarHBondContact OD2-NH1 3.36Å; D97-R101 IonicContact OD2-NH2 2.79Å; D97-R101 PolarHBondContact OD2-NH2 3.44Å
98	G	75.3	Confident	70.7	Confident	8 Å²	8	37.6 Å²	37.6	8%	0.082	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-46.9	172.4	0	0	0	0	0	113.3	K94 V95 L96 R101 S102	K94-G98 PolarHBondContact O-N 3.47Å; V95-G98 WeakPolarHBondContact O-CA 3.36Å; V95-G98 PolarHBondContact O-N 2.93Å; L96-G98 PolarHBondContact O-N 3.18Å; G98-R101 PolarHBondContact O-N 3.22Å; G98-S102 VanDerWaalsContact O-CB 3.3Å; G98-S102 WeakPolarHBondContact O-CB 3.44Å; G98-S102 PolarHBondContact O-N 3.32Å
99	L	74.1	Confident	69.5	Low	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-41.7	178	-68.2	171.9	0	0	0	112	L57 L74 L78 V95 L96 R101 S102 F105	L57-L99 HydrophobicContact CD1-CD2 3.47Å; L57-L99 VanDerWaalsContact CD1-CD2 3.47Å; L57-L99 HydrophobicContact CD1-CG 3.81Å; L57-L99 HydrophobicContact CD2-CD2 3.94Å; L57-L99 HydrophobicContact CG-CD2 4.37Å; L74-L99 HydrophobicContact CD1-CD2 4.4Å; L78-L99 HydrophobicContact CD2-CD1 4.25Å; V95-L99 HydrophobicContact CG1-CD1 3.95Å; V95-L99 HydrophobicContact CG1-CG 4.3Å; V95-L99 WeakPolarHBondContact O-CG 3.29Å; V95-L99 PolarHBondContact O-N 3.08Å; L96-L99 PolarHBondContact O-N 3Å; L99-R101 VanDerWaalsContact C-N 3.26Å; L99-R101 PolarHBondContact O-N 3.01Å; L99-S102 PolarHBondContact O-N 3.1Å; L99-F105 HydrophobicContact CD2-CD2 3.71Å; L99-F105 HydrophobicContact CD2-CE2 3.57Å; L99-F105 HydrophobicContact CD2-CZ 4.25Å; L99-F105 WeakPolarHBondContact O-CB 3.32Å
100	L	68.8	Low	68.7	Low	53 Å²	53	40.9 Å²	40.9	28%	0.277	21%	0.207	S	C	.	.	H	α-helix	trans	-64.7	-30.6	178.5	-71.8	-179.9	0	0	0	112.9	L96 D97 Y106 L122	L96-L100 HydrophobicContact CD1-CD1 3.92Å; L96-L100 HydrophobicContact CD1-CD2 4.3Å; L96-L100 HydrophobicContact CD1-CG 3.74Å; L96-L100 HydrophobicContact CG-CD1 3.94Å; L96-L100 HydrophobicContact CG-CG 4.23Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.16Å; D97-L100 PolarHBondContact O-N 2.94Å; L100-Y106 HydrophobicContact CD2-CE2 4.33Å; L100-Y106 WeakPolarHBondContact CD2-OH 3.44Å; L100-Y106 WeakPolarHBondContact O-CE2 3.36Å; L100-L122 HydrophobicContact CD1-CD1 4.39Å; L100-L122 HydrophobicContact CD2-CD1 3.75Å; L100-L122 HydrophobicContact CG-CD1 4.38Å
101	R	69.1	Low	67.7	Low	184 Å²	184	42.9 Å²	42.9	69%	0.694	21%	0.214	S	C	*	.	H	α-helix	trans	-90.4	-22.8	179.7	-68.3	175.3	-171.2	-168.9	7.6	112.9	D97 G98 L99	D97-R101 WeakPolarHBondContact O-CB 3.46Å; D97-R101 WeakPolarHBondContact O-CG 3.37Å; D97-R101 PolarHBondContact O-N 3.4Å; D97-R101 VanDerWaalsContact O-N 3.08Å; D97-R101 IonicContact OD1-CZ 2.79Å; D97-R101 IonicContact OD1-NE 2.95Å; D97-R101 PolarHBondContact OD1-NE 3.35Å; D97-R101 IonicContact OD1-NH2 3.08Å; D97-R101 PolarHBondContact OD1-NH2 3.43Å; D97-R101 IonicContact OD2-CZ 3.36Å; D97-R101 IonicContact OD2-NE 2.93Å; D97-R101 PolarHBondContact OD2-NE 3.02Å; D97-R101 IonicContact OD2-NH1 3.07Å; D97-R101 PolarHBondContact OD2-NH1 3.36Å; D97-R101 IonicContact OD2-NH2 2.79Å; D97-R101 PolarHBondContact OD2-NH2 3.44Å; G98-R101 PolarHBondContact O-N 3.22Å; L99-R101 VanDerWaalsContact C-N 3.26Å; L99-R101 PolarHBondContact O-N 3.01Å
102	S	71	Confident	66.5	Low	2 Å²	2	43.9 Å²	43.9	1%	0.014	22%	0.221	C	C	.	.			trans	-75.5	126.7	-174.6	-167.9	0	0	0	0	111.4	L57 G98 L99 I104 F105	L57-S102 PolarHBondContact O-OG 3.06Å; G98-S102 VanDerWaalsContact O-CB 3.3Å; G98-S102 WeakPolarHBondContact O-CB 3.44Å; G98-S102 PolarHBondContact O-N 3.32Å; L99-S102 PolarHBondContact O-N 3.1Å; S102-I104 PolarHBondContact O-N 3.02Å; S102-I104 VanDerWaalsContact O-N 3.17Å; S102-I104 WeakPolarHBondContact OG-CG1 3.2Å; S102-F105 PolarHBondContact O-N 2.93Å; S102-F105 VanDerWaalsContact O-N 3.15Å
103	P	67.5	Low	65.5	Low	16 Å²	16	47.6 Å²	47.6	10%	0.104	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.2	179.4	26.6	-33.7	0	0	0	113.3	M60 V62 F105 Y106 D107	M60-P103 WeakPolarHBondContact O-CD 3.47Å; M60-P103 VanDerWaalsContact O-CG 3.3Å; M60-P103 WeakPolarHBondContact O-CG 3.48Å; V62-P103 HydrophobicContact CB-CB 4.04Å; V62-P103 HydrophobicContact CB-CG 4.44Å; V62-P103 HydrophobicContact CG1-CB 4.12Å; V62-P103 HydrophobicContact CG2-CB 3.58Å; V62-P103 HydrophobicContact CG2-CG 3.94Å; P103-F105 PolarHBondContact O-N 2.94Å; P103-Y106 CarbonylContact O-C 3.16Å; P103-Y106 PolarHBondContact O-N 3.17Å; P103-D107 PolarHBondContact O-N 3.09Å
104	I	66.6	Low	64.8	Low	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.6	176.7	78.1	-174.1	0	0	0	112.4	V36 L57 M60 C64 L66 K71 S102	V36-I104 HydrophobicContact CG1-CD1 3.96Å; V36-I104 HydrophobicContact CG2-CD1 4.29Å; L57-I104 HydrophobicContact CD2-CD1 3.36Å; L57-I104 HydrophobicContact CD2-CG1 4.27Å; M60-I104 HydrophobicContact CB-CG2 3.89Å; M60-I104 HydrophobicContact CE-CD1 4.43Å; M60-I104 HydrophobicContact CG-CG2 4.26Å; M60-I104 HydrophobicContact SD-CB 4.44Å; M60-I104 HydrophobicContact SD-CD1 3.44Å; M60-I104 WeakPolarHBondContact SD-CD1 3.47Å; M60-I104 HydrophobicContact SD-CG1 4.39Å; M60-I104 HydrophobicContact SD-CG2 3.44Å; M60-I104 WeakPolarHBondContact SD-CG2 3.48Å; C64-I104 WeakPolarHBondContact O-CA 3.42Å; C64-I104 WeakPolarHBondContact O-CG2 3.4Å; L66-I104 PolarHBondContact N-O 3.28Å; K71-I104 VanDerWaalsContact CE-O 3.29Å; K71-I104 WeakPolarHBondContact CE-O 3.5Å; S102-I104 PolarHBondContact O-N 3.02Å; S102-I104 VanDerWaalsContact O-N 3.17Å; S102-I104 WeakPolarHBondContact OG-CG1 3.2Å
105	F	64.3	Low	63.9	Low	2 Å²	2	39.5 Å²	39.5	1%	0.009	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-34.1	179.9	-124.7	-101.7	0	0	0	111	L66 K71 L74 I75 L99 S102 P103 I118	L66-F105 HydrophobicContact CD2-CD2 4.48Å; L66-F105 HydrophobicContact CD2-CE2 4.02Å; K71-F105 HydrophobicContact CB-CE1 4.06Å; K71-F105 HydrophobicContact CB-CE2 4.09Å; K71-F105 HydrophobicContact CB-CZ 3.67Å; K71-F105 WeakPolarHBondContact CE-O 3.37Å; K71-F105 HydrophobicContact CG-CD1 4.46Å; K71-F105 HydrophobicContact CG-CD2 4.15Å; K71-F105 HydrophobicContact CG-CE1 4.17Å; K71-F105 HydrophobicContact CG-CE2 3.81Å; K71-F105 HydrophobicContact CG-CG 4.47Å; K71-F105 HydrophobicContact CG-CZ 3.84Å; K71-F105 PolarHBondContact NZ-O 2.98Å; K71-F105 VanDerWaalsContact NZ-O 3.11Å; L74-F105 HydrophobicContact CD1-CE2 4.13Å; I75-F105 HydrophobicContact CD1-CE1 4.05Å; I75-F105 HydrophobicContact CD1-CZ 4.26Å; I75-F105 HydrophobicContact CG1-CE1 4.11Å; I75-F105 HydrophobicContact CG1-CZ 4.03Å; L99-F105 HydrophobicContact CD2-CD2 3.71Å; L99-F105 HydrophobicContact CD2-CE2 3.57Å; L99-F105 HydrophobicContact CD2-CZ 4.25Å; L99-F105 WeakPolarHBondContact O-CB 3.32Å; S102-F105 PolarHBondContact O-N 2.93Å; S102-F105 VanDerWaalsContact O-N 3.15Å; P103-F105 PolarHBondContact O-N 2.94Å; F105-I118 HydrophobicContact CD1-CD1 3.89Å; F105-I118 HydrophobicContact CE1-CD1 3.81Å; F105-I118 HydrophobicContact CE1-CG1 4.15Å
106	Y	62.3	Low	63	Low	47 Å²	47	43.4 Å²	43.4	18%	0.184	23%	0.23	C	C	.	.			trans	-112.1	59	-179	-64.2	-95.8	0	0	0	110.9	L100 P103 L115	L100-Y106 HydrophobicContact CD2-CE2 4.33Å; L100-Y106 WeakPolarHBondContact CD2-OH 3.44Å; L100-Y106 WeakPolarHBondContact O-CE2 3.36Å; P103-Y106 CarbonylContact O-C 3.16Å; P103-Y106 PolarHBondContact O-N 3.17Å; Y106-L115 HydrophobicContact CD1-CD1 4.31Å; Y106-L115 HydrophobicContact CD1-CD2 3.5Å; Y106-L115 HydrophobicContact CE1-CD1 4.38Å; Y106-L115 HydrophobicContact CE1-CD2 3.26Å; Y106-L115 HydrophobicContact CE1-CG 4.4Å
107	D	60	Low	62.4	Low	43 Å²	43	48.6 Å²	48.6	23%	0.23	25%	0.252	C	S	.	.			trans	-64.4	141.8	159	64.3	-26.9	0	0	0	108.2	S65 K71 P103 A109 C110	S65-D107 VanDerWaalsContact CB-CG 3.48Å; S65-D107 WeakPolarHBondContact CB-OD2 3.47Å; S65-D107 WeakPolarHBondContact OG-CB 3.27Å; S65-D107 PolarHBondContact OG-OD1 3.1Å; S65-D107 PolarHBondContact OG-OD2 3.11Å; K71-D107 IonicContact NZ-OD1 3.64Å; K71-D107 PolarHBondContact NZ-OD1 2.99Å; P103-D107 PolarHBondContact O-N 3.09Å; D107-A109 PolarHBondContact O-N 3.11Å; D107-C110 WeakPolarHBondContact O-CB 2.92Å; D107-C110 PolarHBondContact O-N 2.99Å
108	G	51.3	Low	61.9	Low	17 Å²	17	45.9 Å²	45.9	18%	0.175	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-7.7	179.6	0	0	0	0	0	115.2	Q163	G108-Q163 PolarHBondContact O-NE2 3.4Å
109	A	49.8	Very low	61.4	Low	77 Å²	77	46 Å²	46	64%	0.636	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.8	177.2	0	0	0	0	0	114.4	D107 K111	D107-A109 PolarHBondContact O-N 3.11Å; A109-K111 PolarHBondContact O-N 3.08Å
110	C	52.5	Low	60.9	Low	8 Å²	8	47 Å²	47	5%	0.054	25%	0.247	C	C	.	.			trans	-61.4	125.4	177.7	-159	0	0	0	0	109.7	D107 D114 L115	D107-C110 WeakPolarHBondContact O-CB 2.92Å; D107-C110 PolarHBondContact O-N 2.99Å; C110-D114 VanDerWaalsContact SG-CB 3.5Å; C110-L115 HydrophobicContact CB-CD2 4.3Å; C110-L115 HydrophobicContact CB-CG 4.36Å
111	K	54.1	Low	60.7	Low	142 Å²	142	46.7 Å²	46.7	62%	0.617	25%	0.246	S	C	*	.			trans	-67.8	147.9	179.1	-65.9	177	-179.9	174.1	0	108.5	A109 T113 D114 L115	A109-K111 PolarHBondContact O-N 3.08Å; K111-T113 WeakPolarHBondContact CB-OG1 2.98Å; K111-T113 PolarHBondContact O-N 3.21Å; K111-D114 WeakPolarHBondContact CB-OD2 3.38Å; K111-D114 PolarHBondContact N-OD2 3.26Å; K111-D114 WeakPolarHBondContact O-CA 3.45Å; K111-D114 WeakPolarHBondContact O-CB 3.42Å; K111-D114 PolarHBondContact O-N 3.49Å; K111-L115 PolarHBondContact O-N 3.27Å; K111-L115 VanDerWaalsContact O-N 3.15Å
112	V	54.2	Low	60.5	Low	33 Å²	33	38.6 Å²	38.6	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-52.3	-34.3	172.3	172.1	0	0	0	0	111.9	D114 L115 L116 L156 Y160	V112-D114 VanDerWaalsContact C-N 3.27Å; V112-D114 PolarHBondContact O-N 3.42Å; V112-L115 PolarHBondContact O-N 3.19Å; V112-L116 HydrophobicContact CG1-CD1 4.15Å; V112-L116 HydrophobicContact CG1-CG 4.24Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 VanDerWaalsContact O-CG 3.32Å; V112-L116 WeakPolarHBondContact O-CG 3.38Å; V112-L116 PolarHBondContact O-N 3.07Å; V112-L156 HydrophobicContact CB-CD1 4.38Å; V112-L156 HydrophobicContact CG1-CD1 4.09Å; V112-L156 HydrophobicContact CG1-CD2 4.02Å; V112-L156 HydrophobicContact CG1-CG 4.06Å; V112-L156 HydrophobicContact CG2-CD1 4.18Å; V112-Y160 HydrophobicContact CB-CD2 4.36Å; V112-Y160 HydrophobicContact CG2-CD2 3.32Å; V112-Y160 HydrophobicContact CG2-CE2 4.09Å; V112-Y160 HydrophobicContact CG2-CG 3.84Å
113	T	55.4	Low	60.2	Low	78 Å²	78	40.5 Å²	40.5	48%	0.479	23%	0.226	S	C	.	.	H	α-helix	trans	-60.1	-35.8	174.6	52.3	0	0	0	0	113.3	K111 K117	K111-T113 WeakPolarHBondContact CB-OG1 2.98Å; K111-T113 PolarHBondContact O-N 3.21Å; T113-K117 WeakPolarHBondContact O-CB 3.38Å; T113-K117 VanDerWaalsContact O-CG 3.29Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.93Å
114	D	57.3	Low	60.1	Low	26 Å²	26	44.7 Å²	44.7	14%	0.139	25%	0.247	C	C	.	.	H	α-helix	trans	-76.1	-40	-179	-59.9	-25.7	0	0	0	109.9	M68 C110 K111 V112 K117 I118	M68-D114 HydrophobicContact CE-CB 3.5Å; M68-D114 VanDerWaalsContact CE-CB 3.5Å; M68-D114 VanDerWaalsContact CE-CG 3.43Å; M68-D114 WeakPolarHBondContact CE-OD1 3.3Å; M68-D114 HydrophobicContact SD-CB 3.97Å; C110-D114 VanDerWaalsContact SG-CB 3.5Å; K111-D114 WeakPolarHBondContact CB-OD2 3.38Å; K111-D114 PolarHBondContact N-OD2 3.26Å; K111-D114 WeakPolarHBondContact O-CA 3.45Å; K111-D114 WeakPolarHBondContact O-CB 3.42Å; K111-D114 PolarHBondContact O-N 3.49Å; V112-D114 VanDerWaalsContact C-N 3.27Å; V112-D114 PolarHBondContact O-N 3.42Å; D114-K117 WeakPolarHBondContact O-CB 3.37Å; D114-K117 PolarHBondContact O-N 3.3Å; D114-I118 WeakPolarHBondContact O-CD1 3.33Å; D114-I118 VanDerWaalsContact O-CG1 3.27Å; D114-I118 WeakPolarHBondContact O-CG1 3.33Å; D114-I118 PolarHBondContact O-N 2.79Å
115	L	61	Low	59.9	Low	11 Å²	11	44.7 Å²	44.7	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-37.3	171.8	-63.5	-178.7	0	0	0	112.7	Y106 C110 K111 V112 I118 T119 L156 L159	Y106-L115 HydrophobicContact CD1-CD1 4.31Å; Y106-L115 HydrophobicContact CD1-CD2 3.5Å; Y106-L115 HydrophobicContact CE1-CD1 4.38Å; Y106-L115 HydrophobicContact CE1-CD2 3.26Å; Y106-L115 HydrophobicContact CE1-CG 4.4Å; C110-L115 HydrophobicContact CB-CD2 4.3Å; C110-L115 HydrophobicContact CB-CG 4.36Å; K111-L115 PolarHBondContact O-N 3.27Å; K111-L115 VanDerWaalsContact O-N 3.15Å; V112-L115 PolarHBondContact O-N 3.19Å; L115-I118 HydrophobicContact CD2-CD1 4.13Å; L115-T119 WeakPolarHBondContact O-CB 3.36Å; L115-T119 PolarHBondContact O-N 2.02Å; L115-T119 PolarHBondContact O-OG1 3.36Å; L115-L156 HydrophobicContact CB-CD1 3.38Å; L115-L156 HydrophobicContact CB-CD2 3.94Å; L115-L156 HydrophobicContact CB-CG 4.29Å; L115-L156 HydrophobicContact CD1-CD1 3.25Å; L115-L156 HydrophobicContact CG-CD1 3.9Å; L115-L159 HydrophobicContact CD1-CD1 4.3Å
116	L	60.2	Low	59.9	Low	83 Å²	83	46.7 Å²	46.7	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-65.3	-41.4	172.2	-76.2	175.4	0	0	0	111.5	V112 T119 G120 L153 L156	V112-L116 HydrophobicContact CG1-CD1 4.15Å; V112-L116 HydrophobicContact CG1-CG 4.24Å; V112-L116 WeakPolarHBondContact O-CB 3.48Å; V112-L116 VanDerWaalsContact O-CG 3.32Å; V112-L116 WeakPolarHBondContact O-CG 3.38Å; V112-L116 PolarHBondContact O-N 3.07Å; L116-T119 PolarHBondContact O-N 3.37Å; L116-G120 PolarHBondContact O-N 3.39Å; L116-L153 HydrophobicContact CD2-CD2 3.72Å; L116-L156 HydrophobicContact CD2-CD2 3.48Å; L116-L156 VanDerWaalsContact CD2-CD2 3.48Å; L116-L156 HydrophobicContact CG-CD2 3.63Å
117	K	62.4	Low	60.1	Low	123 Å²	123	48.1 Å²	48.1	54%	0.535	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-46.4	175.8	-79.2	173.6	179.5	180	0	111.8	T113 D114 G120 L121	T113-K117 WeakPolarHBondContact O-CB 3.38Å; T113-K117 VanDerWaalsContact O-CG 3.29Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.93Å; D114-K117 WeakPolarHBondContact O-CB 3.37Å; D114-K117 PolarHBondContact O-N 3.3Å; K117-G120 PolarHBondContact O-N 3.08Å; K117-L121 WeakPolarHBondContact O-CG 3.19Å; K117-L121 PolarHBondContact O-N 3.46Å
118	I	63.3	Low	60.3	Low	4 Å²	4	48.7 Å²	48.7	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-53.5	-59.6	172.3	-70.7	158.8	0	0	0	107.6	I75 F105 D114 L115 G120 L121 L122	I75-I118 HydrophobicContact CD1-CB 4.39Å; I75-I118 HydrophobicContact CD1-CD1 4.45Å; I75-I118 HydrophobicContact CD1-CG1 3.46Å; I75-I118 VanDerWaalsContact CD1-CG1 3.46Å; I75-I118 HydrophobicContact CG1-CG1 4.49Å; F105-I118 HydrophobicContact CD1-CD1 3.89Å; F105-I118 HydrophobicContact CE1-CD1 3.81Å; F105-I118 HydrophobicContact CE1-CG1 4.15Å; D114-I118 WeakPolarHBondContact O-CD1 3.33Å; D114-I118 VanDerWaalsContact O-CG1 3.27Å; D114-I118 WeakPolarHBondContact O-CG1 3.33Å; D114-I118 PolarHBondContact O-N 2.79Å; L115-I118 HydrophobicContact CD2-CD1 4.13Å; I118-G120 VanDerWaalsContact C-N 3.27Å; I118-G120 PolarHBondContact O-N 2.79Å; I118-L121 PolarHBondContact O-N 3.27Å; I118-L122 HydrophobicContact CG2-CD1 3.73Å; I118-L122 HydrophobicContact CG2-CG 4.24Å; I118-L122 WeakPolarHBondContact O-CG 2.97Å; I118-L122 PolarHBondContact O-N 2.95Å
119	T	63.8	Low	60.8	Low	10 Å²	10	48.5 Å²	48.5	6%	0.061	27%	0.268	C	S	.	.	H	α-helix	trans	-52.3	-44.6	-180	-51.4	0	0	0	0	112.2	L115 L116 L122 I123 I149 L153	L115-T119 WeakPolarHBondContact O-CB 3.36Å; L115-T119 PolarHBondContact O-N 2.02Å; L115-T119 PolarHBondContact O-OG1 3.36Å; L116-T119 PolarHBondContact O-N 3.37Å; T119-L122 WeakPolarHBondContact O-CB 3.31Å; T119-L122 PolarHBondContact O-N 3.37Å; T119-I123 HydrophobicContact CG2-CD1 4.2Å; T119-I123 WeakPolarHBondContact O-CG1 3.29Å; T119-I123 PolarHBondContact O-N 3.46Å; T119-I149 HydrophobicContact CG2-CG2 4.49Å; T119-L153 HydrophobicContact CG2-CD2 4.15Å; T119-L153 HydrophobicContact CG2-CG 4.3Å
120	G	63.6	Low	61.5	Low	25 Å²	25	45.8 Å²	45.8	26%	0.258	24%	0.243	S	C	.	.	H	α-helix	trans	-56.7	-49.5	175.3	0	0	0	0	0	113.6	L116 K117 I118 L122 I123 D124	L116-G120 PolarHBondContact O-N 3.39Å; K117-G120 PolarHBondContact O-N 3.08Å; I118-G120 VanDerWaalsContact C-N 3.27Å; I118-G120 PolarHBondContact O-N 2.79Å; G120-L122 PolarHBondContact O-N 2.84Å; G120-I123 WeakPolarHBondContact O-CB 2.9Å; G120-I123 PolarHBondContact O-N 2.91Å; G120-D124 PolarHBondContact O-N 3.06Å
121	L	65.6	Low	62.1	Low	48 Å²	48	49.8 Å²	49.8	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-65.5	-30.3	178.9	-68.8	166.3	0	0	0	112.2	I75 K117 I118 A125	I75-L121 HydrophobicContact CB-CD1 4.19Å; I75-L121 HydrophobicContact CD1-CD1 4.5Å; I75-L121 HydrophobicContact CG2-CB 3.4Å; I75-L121 VanDerWaalsContact CG2-CB 3.4Å; I75-L121 HydrophobicContact CG2-CD1 3.35Å; I75-L121 HydrophobicContact CG2-CG 3.94Å; K117-L121 WeakPolarHBondContact O-CG 3.19Å; K117-L121 PolarHBondContact O-N 3.46Å; I118-L121 PolarHBondContact O-N 3.27Å; L121-A125 WeakPolarHBondContact O-CB 3.07Å; L121-A125 PolarHBondContact O-N 3.15Å
122	L	64.6	Low	62.5	Low	14 Å²	14	47.9 Å²	47.9	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-72.7	-36.7	174.8	-58	174.2	0	0	0	112.8	L78 L96 L100 I118 T119 G120 K126	L78-L122 HydrophobicContact CD2-CD2 3.77Å; L96-L122 HydrophobicContact CD1-CD1 3.46Å; L96-L122 VanDerWaalsContact CD1-CD1 3.46Å; L96-L122 HydrophobicContact CD1-CD2 3.03Å; L96-L122 HydrophobicContact CD1-CG 3.7Å; L96-L122 HydrophobicContact CD2-CB 4.16Å; L96-L122 HydrophobicContact CD2-CD1 4.29Å; L96-L122 HydrophobicContact CD2-CD2 3.72Å; L96-L122 HydrophobicContact CD2-CG 4.17Å; L96-L122 HydrophobicContact CG-CD1 4.39Å; L96-L122 HydrophobicContact CG-CD2 3.94Å; L100-L122 HydrophobicContact CD1-CD1 4.39Å; L100-L122 HydrophobicContact CD2-CD1 3.75Å; L100-L122 HydrophobicContact CG-CD1 4.38Å; I118-L122 HydrophobicContact CG2-CD1 3.73Å; I118-L122 HydrophobicContact CG2-CG 4.24Å; I118-L122 WeakPolarHBondContact O-CG 2.97Å; I118-L122 PolarHBondContact O-N 2.95Å; T119-L122 WeakPolarHBondContact O-CB 3.31Å; T119-L122 PolarHBondContact O-N 3.37Å; G120-L122 PolarHBondContact O-N 2.84Å; L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 WeakPolarHBondContact O-CG 3.44Å; L122-K126 PolarHBondContact O-N 2.96Å
123	I	65.3	Low	62.9	Low	42 Å²	42	49.2 Å²	49.2	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-58.4	170.8	-65.5	164.6	0	0	0	108.4	T119 G120 A125 K126 F127 I149	T119-I123 HydrophobicContact CG2-CD1 4.2Å; T119-I123 WeakPolarHBondContact O-CG1 3.29Å; T119-I123 PolarHBondContact O-N 3.46Å; G120-I123 WeakPolarHBondContact O-CB 2.9Å; G120-I123 PolarHBondContact O-N 2.91Å; I123-A125 PolarHBondContact O-N 3.42Å; I123-K126 PolarHBondContact O-N 2.96Å; I123-K126 VanDerWaalsContact O-N 3.1Å; I123-F127 HydrophobicContact CG2-CD2 3.55Å; I123-F127 HydrophobicContact CG2-CE2 3.69Å; I123-F127 WeakPolarHBondContact O-CD2 3.2Å; I123-F127 PolarHBondContact O-N 3.01Å; I123-I149 HydrophobicContact CB-CD1 4.08Å; I123-I149 HydrophobicContact CD1-CD1 4.39Å; I123-I149 HydrophobicContact CD1-CG1 4.32Å; I123-I149 HydrophobicContact CD1-CG2 3.54Å; I123-I149 HydrophobicContact CG1-CB 4.23Å; I123-I149 HydrophobicContact CG1-CD1 3.48Å; I123-I149 VanDerWaalsContact CG1-CD1 3.48Å; I123-I149 HydrophobicContact CG1-CG1 3.49Å; I123-I149 VanDerWaalsContact CG1-CG1 3.49Å; I123-I149 HydrophobicContact CG1-CG2 3.7Å; I123-I149 HydrophobicContact CG2-CD1 3.97Å
124	D	65.1	Low	63.3	Low	103 Å²	103	49.1 Å²	49.1	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-57.3	-41.5	-175.9	-67.3	-19.4	0	0	0	111.6	G120 S128	G120-D124 PolarHBondContact O-N 3.06Å; D124-S128 WeakPolarHBondContact O-CB 3.34Å; D124-S128 PolarHBondContact O-N 3.33Å; D124-S128 PolarHBondContact O-OG 2.88Å
125	A	62.3	Low	63.7	Low	3 Å²	3	55.4 Å²	55.4	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-51.6	174.1	0	0	0	0	0	113.4	Y82 L121 I123 S128 A129	Y82-A125 HydrophobicContact CD1-CB 4.36Å; Y82-A125 HydrophobicContact CD2-CB 3.29Å; Y82-A125 HydrophobicContact CE2-CB 3.64Å; Y82-A125 HydrophobicContact CG-CB 3.67Å; L121-A125 WeakPolarHBondContact O-CB 3.07Å; L121-A125 PolarHBondContact O-N 3.15Å; I123-A125 PolarHBondContact O-N 3.42Å; A125-S128 WeakPolarHBondContact O-CB 3.46Å; A125-S128 PolarHBondContact O-N 3.36Å; A125-A129 PolarHBondContact O-N 3.3Å; A125-A129 VanDerWaalsContact O-N 3.15Å
126	K	63.3	Low	63.6	Low	43 Å²	43	60.6 Å²	60.6	19%	0.187	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-45	179.2	-81	-76.9	-175.1	165	0	111.6	Y82 E93 L122 I123 S128 A129 L130 A145	Y82-K126 HydrophobicContact CE1-CD 4.32Å; Y82-K126 WeakPolarHBondContact OH-CE 3.19Å; E93-K126 VanDerWaalsContact CG-NZ 3.34Å; E93-K126 IonicContact OE1-NZ 2.86Å; E93-K126 PolarHBondContact OE1-NZ 2.82Å; E93-K126 IonicContact OE2-NZ 3.91Å; L122-K126 WeakPolarHBondContact O-CB 3.48Å; L122-K126 WeakPolarHBondContact O-CG 3.44Å; L122-K126 PolarHBondContact O-N 2.96Å; I123-K126 PolarHBondContact O-N 2.96Å; I123-K126 VanDerWaalsContact O-N 3.1Å; K126-S128 VanDerWaalsContact C-N 3.29Å; K126-S128 PolarHBondContact O-N 3.43Å; K126-A129 WeakPolarHBondContact O-CB 3.35Å; K126-A129 PolarHBondContact O-N 3.04Å; K126-L130 WeakPolarHBondContact O-CG 3.49Å; K126-L130 PolarHBondContact O-N 2.61Å; K126-A145 HydrophobicContact CB-CB 4.24Å
127	F	66.7	Low	63.9	Low	78 Å²	78	59.5 Å²	59.5	34%	0.342	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-33.4	177.1	-85	-82.1	0	0	0	112.8	I123 A129 L130 E142 I149	I123-F127 HydrophobicContact CG2-CD2 3.55Å; I123-F127 HydrophobicContact CG2-CE2 3.69Å; I123-F127 WeakPolarHBondContact O-CD2 3.2Å; I123-F127 PolarHBondContact O-N 3.01Å; F127-A129 VanDerWaalsContact C-N 3.34Å; F127-L130 HydrophobicContact CD1-CD1 4Å; F127-L130 HydrophobicContact CE1-CD1 4.39Å; F127-L130 PolarHBondContact O-N 3.22Å; F127-E142 HydrophobicContact CE1-CG 3.66Å; F127-E142 HydrophobicContact CZ-CG 4.12Å; F127-I149 HydrophobicContact CE2-CD1 4.05Å
128	S	65.2	Low	63.8	Low	54 Å²	54	54.6 Å²	54.6	38%	0.378	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-40.3	173.7	-60.1	0	0	0	0	111.7	D124 A125 K126 L130 S131	D124-S128 WeakPolarHBondContact O-CB 3.34Å; D124-S128 PolarHBondContact O-N 3.33Å; D124-S128 PolarHBondContact O-OG 2.88Å; A125-S128 WeakPolarHBondContact O-CB 3.46Å; A125-S128 PolarHBondContact O-N 3.36Å; K126-S128 VanDerWaalsContact C-N 3.29Å; K126-S128 PolarHBondContact O-N 3.43Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 3.19Å; S128-S131 WeakPolarHBondContact O-CB 3.27Å; S128-S131 PolarHBondContact O-N 3.12Å; S128-S131 PolarHBondContact O-OG 3.35Å
129	A	61.4	Low	63.9	Low	14 Å²	14	60.2 Å²	60.2	12%	0.116	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-36.1	177.6	0	0	0	0	0	113	Y82 A89 A125 K126 F127 S131 H132	Y82-A129 HydrophobicContact CD1-CB 4.05Å; A89-A129 HydrophobicContact CB-CB 4.18Å; A125-A129 PolarHBondContact O-N 3.3Å; A125-A129 VanDerWaalsContact O-N 3.15Å; K126-A129 WeakPolarHBondContact O-CB 3.35Å; K126-A129 PolarHBondContact O-N 3.04Å; F127-A129 VanDerWaalsContact C-N 3.34Å; A129-S131 PolarHBondContact O-N 3.15Å; A129-H132 PolarHBondContact O-N 3.11Å; A129-H132 VanDerWaalsContact O-N 3.11Å
130	L	63.2	Low	64.1	Low	20 Å²	20	64.7 Å²	64.7	11%	0.105	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-24.4	179.1	-61.5	174.1	0	0	0	113.1	K126 F127 S128 H132 E133 N141 E142	K126-L130 WeakPolarHBondContact O-CG 3.49Å; K126-L130 PolarHBondContact O-N 2.61Å; F127-L130 HydrophobicContact CD1-CD1 4Å; F127-L130 HydrophobicContact CE1-CD1 4.39Å; F127-L130 PolarHBondContact O-N 3.22Å; S128-L130 VanDerWaalsContact C-N 3.32Å; S128-L130 PolarHBondContact O-N 3.19Å; L130-H132 PolarHBondContact O-N 2.89Å; L130-H132 VanDerWaalsContact O-N 3.11Å; L130-E133 PolarHBondContact O-N 3.37Å; L130-E133 VanDerWaalsContact O-N 3.16Å; L130-N141 HydrophobicContact CD2-CB 3.26Å; L130-E142 HydrophobicContact CD1-CB 3.75Å; L130-E142 HydrophobicContact CD1-CG 4.25Å
131	S	65.5	Low	64.1	Low	91 Å²	91	66 Å²	66	64%	0.636	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.1	177	74.4	0	0	0	0	113.6	S128 A129	S128-S131 WeakPolarHBondContact O-CB 3.27Å; S128-S131 PolarHBondContact O-N 3.12Å; S128-S131 PolarHBondContact O-OG 3.35Å; A129-S131 PolarHBondContact O-N 3.15Å
132	H	63.4	Low	64.1	Low	103 Å²	103	68.1 Å²	68.1	48%	0.477	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.7	179.6	-61.3	-65.5	0	0	0	114	A129 L130	A129-H132 PolarHBondContact O-N 3.11Å; A129-H132 VanDerWaalsContact O-N 3.11Å; L130-H132 PolarHBondContact O-N 2.89Å; L130-H132 VanDerWaalsContact O-N 3.11Å
133	E	62.9	Low	64	Low	61 Å²	61	71.2 Å²	71.2	29%	0.285	39%	0.385	S	S	.	.	S	Bend	trans	-97.1	161.8	-175.3	-65	-168.7	150.1	0	0	113.2	L130 T137 A138 N141	L130-E133 PolarHBondContact O-N 3.37Å; L130-E133 VanDerWaalsContact O-N 3.16Å; E133-T137 HydrophobicContact CB-CG2 4.45Å; E133-A138 HydrophobicContact CB-CB 4.22Å; E133-N141 PolarHBondContact OE1-ND2 3.45Å; E133-N141 WeakPolarHBondContact OE2-CB 3.18Å; E133-N141 PolarHBondContact OE2-ND2 3.37Å
134	S	63.7	Low	64.1	Low	75 Å²	75	72.6 Å²	72.6	52%	0.524	40%	0.395	S	S	.	.			trans	-65.7	147.3	170.4	81.6	0	0	0	0	110.5	I136 T137 A138	S134-I136 VanDerWaalsContact C-N 3.28Å; S134-I136 PolarHBondContact O-N 3.29Å; S134-I136 VanDerWaalsContact O-N 3.1Å; S134-T137 WeakPolarHBondContact O-CA 3.39Å; S134-T137 PolarHBondContact O-N 2.95Å; S134-T137 PolarHBondContact OG-OG1 2.87Å; S134-A138 WeakPolarHBondContact O-CB 3.35Å; S134-A138 PolarHBondContact O-N 3.39Å
135	E	66.1	Low	64	Low	159 Å²	159	68 Å²	68	74%	0.743	37%	0.372	S	S	*	.	H	α-helix	trans	-46.5	-45.4	-174	-171.8	175.3	-165.1	0	0	113.7	A138 E139	E135-A138 PolarHBondContact O-N 2.85Å; E135-E139 WeakPolarHBondContact O-CG 3.48Å; E135-E139 PolarHBondContact O-N 2.79Å; E135-E139 VanDerWaalsContact O-N 3.11Å
136	I	57.6	Low	64.1	Low	120 Å²	120	70.5 Å²	70.5	62%	0.615	39%	0.387	S	S	*	.	H	α-helix	trans	-70.1	-39.1	179.6	-61.4	172.8	0	0	0	112	S134 I140	S134-I136 VanDerWaalsContact C-N 3.28Å; S134-I136 PolarHBondContact O-N 3.29Å; S134-I136 VanDerWaalsContact O-N 3.1Å; I136-I140 HydrophobicContact CG2-CD1 4.48Å; I136-I140 PolarHBondContact O-N 2.87Å
137	T	66.1	Low	64.2	Low	60 Å²	60	72 Å²	72	37%	0.368	40%	0.399	S	S	.	.	H	α-helix	trans	-68.9	-40.3	177.8	-48.7	0	0	0	0	110.4	E133 S134 E139 I140 N141	E133-T137 HydrophobicContact CB-CG2 4.45Å; S134-T137 WeakPolarHBondContact O-CA 3.39Å; S134-T137 PolarHBondContact O-N 2.95Å; S134-T137 PolarHBondContact OG-OG1 2.87Å; T137-E139 PolarHBondContact O-N 2.82Å; T137-I140 PolarHBondContact O-N 3.34Å; T137-N141 WeakPolarHBondContact O-CB 3.43Å; T137-N141 PolarHBondContact O-N 3.25Å
138	A	61	Low	64.1	Low	20 Å²	20	71.9 Å²	71.9	17%	0.165	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-44.3	176.9	0	0	0	0	0	111.6	E133 S134 E135 I140 N141 E142	E133-A138 HydrophobicContact CB-CB 4.22Å; S134-A138 WeakPolarHBondContact O-CB 3.35Å; S134-A138 PolarHBondContact O-N 3.39Å; E135-A138 PolarHBondContact O-N 2.85Å; A138-I140 PolarHBondContact O-N 3.15Å; A138-N141 PolarHBondContact O-N 2.78Å; A138-E142 WeakPolarHBondContact O-CB 3.46Å; A138-E142 PolarHBondContact O-N 2.97Å
139	E	65	Low	64.1	Low	122 Å²	122	70.5 Å²	70.5	57%	0.57	39%	0.39	S	S	*	.	H	α-helix	trans	-61.7	-42.6	177.1	-74.5	-179	-177.7	0	0	113	E135 T137 C143	E135-E139 WeakPolarHBondContact O-CG 3.48Å; E135-E139 PolarHBondContact O-N 2.79Å; E135-E139 VanDerWaalsContact O-N 3.11Å; T137-E139 PolarHBondContact O-N 2.82Å; E139-C143 WeakPolarHBondContact O-CB 3.32Å; E139-C143 PolarHBondContact O-N 2.69Å; E139-C143 VanDerWaalsContact O-N 3.08Å
140	I	68.4	Low	64.4	Low	103 Å²	103	74.9 Å²	74.9	53%	0.528	41%	0.411	S	S	.	.	H	α-helix	trans	-68.9	-41.6	178.9	-66.3	173.2	0	0	0	110.7	I136 T137 A138 C143 T144	I136-I140 HydrophobicContact CG2-CD1 4.48Å; I136-I140 PolarHBondContact O-N 2.87Å; T137-I140 PolarHBondContact O-N 3.34Å; A138-I140 PolarHBondContact O-N 3.15Å; I140-C143 WeakPolarHBondContact O-CB 3.3Å; I140-C143 PolarHBondContact O-N 3.23Å; I140-T144 PolarHBondContact O-N 3.47Å; I140-T144 PolarHBondContact O-OG1 3.15Å
141	N	64.2	Low	64.6	Low	54 Å²	54	78 Å²	78	29%	0.289	43%	0.427	S	S	.	.	H	α-helix	trans	-74.1	-31.1	-179.9	-73.3	-14.3	0	0	0	111.6	L130 E133 T137 A138 T144 A145	L130-N141 HydrophobicContact CD2-CB 3.26Å; E133-N141 PolarHBondContact OE1-ND2 3.45Å; E133-N141 WeakPolarHBondContact OE2-CB 3.18Å; E133-N141 PolarHBondContact OE2-ND2 3.37Å; T137-N141 WeakPolarHBondContact O-CB 3.43Å; T137-N141 PolarHBondContact O-N 3.25Å; A138-N141 PolarHBondContact O-N 2.78Å; N141-T144 PolarHBondContact O-N 3.42Å; N141-A145 VanDerWaalsContact O-CB 3.25Å; N141-A145 WeakPolarHBondContact O-CB 3.34Å; N141-A145 PolarHBondContact O-N 2.82Å
142	E	64.6	Low	64.5	Low	92 Å²	92	75.1 Å²	75.1	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-60.1	-46.4	168	-174.5	175.1	-179.5	0	0	111.2	F127 L130 A138 A145 T146	F127-E142 HydrophobicContact CE1-CG 3.66Å; F127-E142 HydrophobicContact CZ-CG 4.12Å; L130-E142 HydrophobicContact CD1-CB 3.75Å; L130-E142 HydrophobicContact CD1-CG 4.25Å; A138-E142 WeakPolarHBondContact O-CB 3.46Å; A138-E142 PolarHBondContact O-N 2.97Å; E142-A145 PolarHBondContact O-N 3.14Å; E142-T146 WeakPolarHBondContact O-CB 3.43Å; E142-T146 PolarHBondContact O-N 3.28Å; E142-T146 PolarHBondContact O-OG1 2.82Å
143	C	62.4	Low	64.7	Low	79 Å²	79	73 Å²	73	53%	0.534	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-44.9	177.1	-169.6	0	0	0	0	111.4	E139 I140 T146 V147	E139-C143 WeakPolarHBondContact O-CB 3.32Å; E139-C143 PolarHBondContact O-N 2.69Å; E139-C143 VanDerWaalsContact O-N 3.08Å; I140-C143 WeakPolarHBondContact O-CB 3.3Å; I140-C143 PolarHBondContact O-N 3.23Å; C143-T146 PolarHBondContact O-N 2.83Å; C143-V147 WeakPolarHBondContact O-CG2 3.45Å; C143-V147 PolarHBondContact O-N 2.76Å
144	T	67.6	Low	64.9	Low	71 Å²	71	74.1 Å²	74.1	44%	0.436	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-48	177.3	-56	0	0	0	0	111.3	I140 N141 T146 V147 D148	I140-T144 PolarHBondContact O-N 3.47Å; I140-T144 PolarHBondContact O-OG1 3.15Å; N141-T144 PolarHBondContact O-N 3.42Å; T144-T146 VanDerWaalsContact C-N 3.34Å; T144-T146 PolarHBondContact O-N 3.44Å; T144-V147 PolarHBondContact O-N 2.72Å; T144-V147 VanDerWaalsContact O-N 3.15Å; T144-D148 PolarHBondContact O-N 3.17Å
145	A	62.7	Low	65	Low	6 Å²	6	77.3 Å²	77.3	5%	0.05	41%	0.411	C	S	.	.	H	α-helix	trans	-57.9	-47.6	175.9	0	0	0	0	0	110.6	K126 N141 E142 V147 D148 I149	K126-A145 HydrophobicContact CB-CB 4.24Å; N141-A145 VanDerWaalsContact O-CB 3.25Å; N141-A145 WeakPolarHBondContact O-CB 3.34Å; N141-A145 PolarHBondContact O-N 2.82Å; E142-A145 PolarHBondContact O-N 3.14Å; A145-V147 VanDerWaalsContact C-N 3.28Å; A145-V147 PolarHBondContact O-N 3.25Å; A145-D148 PolarHBondContact O-N 3.31Å; A145-D148 VanDerWaalsContact O-N 3.14Å; A145-I149 HydrophobicContact CB-CD1 4.48Å; A145-I149 WeakPolarHBondContact O-CB 3.09Å; A145-I149 WeakPolarHBondContact O-CD1 3.31Å; A145-I149 WeakPolarHBondContact O-CG1 3.44Å; A145-I149 PolarHBondContact O-N 2.93Å
146	T	64.3	Low	64.9	Low	56 Å²	56	70.2 Å²	70.2	34%	0.344	38%	0.378	S	S	.	.	H	α-helix	trans	-56.5	-41.8	177.4	-60.2	0	0	0	0	111.8	E142 C143 T144 I149 L150	E142-T146 WeakPolarHBondContact O-CB 3.43Å; E142-T146 PolarHBondContact O-N 3.28Å; E142-T146 PolarHBondContact O-OG1 2.82Å; C143-T146 PolarHBondContact O-N 2.83Å; T144-T146 VanDerWaalsContact C-N 3.34Å; T144-T146 PolarHBondContact O-N 3.44Å; T146-I149 PolarHBondContact O-N 3.46Å; T146-L150 HydrophobicContact CG2-CD1 4.17Å; T146-L150 WeakPolarHBondContact O-CB 3.35Å; T146-L150 VanDerWaalsContact O-CG 3.25Å; T146-L150 WeakPolarHBondContact O-CG 3.25Å; T146-L150 PolarHBondContact O-N 3.37Å
147	V	66.1	Low	65.3	Low	73 Å²	73	68.9 Å²	68.9	44%	0.442	38%	0.376	S	S	.	.	H	α-helix	trans	-65.8	-45.4	176.5	171.8	0	0	0	0	111.6	C143 T144 A145 I149 L150 L151	C143-V147 WeakPolarHBondContact O-CG2 3.45Å; C143-V147 PolarHBondContact O-N 2.76Å; T144-V147 PolarHBondContact O-N 2.72Å; T144-V147 VanDerWaalsContact O-N 3.15Å; A145-V147 VanDerWaalsContact C-N 3.28Å; A145-V147 PolarHBondContact O-N 3.25Å; V147-I149 VanDerWaalsContact C-N 3.26Å; V147-I149 PolarHBondContact O-N 3.17Å; V147-L150 PolarHBondContact O-N 3.45Å; V147-L151 HydrophobicContact CG1-CD1 3.93Å; V147-L151 HydrophobicContact CG1-CG 4.36Å; V147-L151 WeakPolarHBondContact O-CB 3.48Å; V147-L151 WeakPolarHBondContact O-CG 3.49Å; V147-L151 PolarHBondContact O-N 3.5Å
148	D	65.1	Low	65.3	Low	76 Å²	76	73.6 Å²	73.6	41%	0.406	39%	0.387	S	S	.	.	H	α-helix	trans	-61.2	-37.7	177.6	-75.3	-23.1	0	0	0	112.1	T144 A145 L151 S152	T144-D148 PolarHBondContact O-N 3.17Å; A145-D148 PolarHBondContact O-N 3.31Å; A145-D148 VanDerWaalsContact O-N 3.14Å; D148-L151 PolarHBondContact O-N 3.22Å; D148-S152 WeakPolarHBondContact O-CB 3.4Å; D148-S152 PolarHBondContact O-N 2.94Å; D148-S152 PolarHBondContact O-OG 2.9Å
149	I	64.7	Low	65.4	Low	25 Å²	25	75.2 Å²	75.2	13%	0.128	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-50.4	174.9	-66.2	158.4	0	0	0	110.2	T119 I123 F127 A145 T146 V147 L151 S152 L153	T119-I149 HydrophobicContact CG2-CG2 4.49Å; I123-I149 HydrophobicContact CB-CD1 4.08Å; I123-I149 HydrophobicContact CD1-CD1 4.39Å; I123-I149 HydrophobicContact CD1-CG1 4.32Å; I123-I149 HydrophobicContact CD1-CG2 3.54Å; I123-I149 HydrophobicContact CG1-CB 4.23Å; I123-I149 HydrophobicContact CG1-CD1 3.48Å; I123-I149 VanDerWaalsContact CG1-CD1 3.48Å; I123-I149 HydrophobicContact CG1-CG1 3.49Å; I123-I149 VanDerWaalsContact CG1-CG1 3.49Å; I123-I149 HydrophobicContact CG1-CG2 3.7Å; I123-I149 HydrophobicContact CG2-CD1 3.97Å; F127-I149 HydrophobicContact CE2-CD1 4.05Å; A145-I149 HydrophobicContact CB-CD1 4.48Å; A145-I149 WeakPolarHBondContact O-CB 3.09Å; A145-I149 WeakPolarHBondContact O-CD1 3.31Å; A145-I149 WeakPolarHBondContact O-CG1 3.44Å; A145-I149 PolarHBondContact O-N 2.93Å; T146-I149 PolarHBondContact O-N 3.46Å; V147-I149 VanDerWaalsContact C-N 3.26Å; V147-I149 PolarHBondContact O-N 3.17Å; I149-L151 VanDerWaalsContact C-N 3.29Å; I149-L151 PolarHBondContact O-N 2.96Å; I149-S152 PolarHBondContact O-N 2.79Å; I149-L153 HydrophobicContact CG2-CD1 4.06Å; I149-L153 HydrophobicContact CG2-CG 4.47Å; I149-L153 WeakPolarHBondContact O-CB 3.46Å; I149-L153 WeakPolarHBondContact O-CG 3.36Å; I149-L153 PolarHBondContact O-N 2.89Å
150	L	66.9	Low	65.1	Low	106 Å²	106	74.5 Å²	74.5	56%	0.555	39%	0.385	S	S	*	.	H	α-helix	trans	-60.8	-39	178	-72.2	171.7	0	0	0	111.8	T146 V147 L153 L154	T146-L150 HydrophobicContact CG2-CD1 4.17Å; T146-L150 WeakPolarHBondContact O-CB 3.35Å; T146-L150 VanDerWaalsContact O-CG 3.25Å; T146-L150 WeakPolarHBondContact O-CG 3.25Å; T146-L150 PolarHBondContact O-N 3.37Å; V147-L150 PolarHBondContact O-N 3.45Å; L150-L153 PolarHBondContact O-N 2.86Å; L150-L154 VanDerWaalsContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.49Å; L150-L154 PolarHBondContact O-N 2.86Å
151	L	68	Low	64.9	Low	86 Å²	86	77.2 Å²	77.2	45%	0.45	39%	0.393	S	S	.	.	H	α-helix	trans	-65.6	-41.2	175.3	-74.9	171.4	0	0	0	111.9	V147 D148 I149 L154 K155	V147-L151 HydrophobicContact CG1-CD1 3.93Å; V147-L151 HydrophobicContact CG1-CG 4.36Å; V147-L151 WeakPolarHBondContact O-CB 3.48Å; V147-L151 WeakPolarHBondContact O-CG 3.49Å; V147-L151 PolarHBondContact O-N 3.5Å; D148-L151 PolarHBondContact O-N 3.22Å; I149-L151 VanDerWaalsContact C-N 3.29Å; I149-L151 PolarHBondContact O-N 2.96Å; L151-L154 PolarHBondContact O-N 2.86Å; L151-K155 WeakPolarHBondContact O-CG 3.41Å; L151-K155 PolarHBondContact O-N 2.91Å
152	S	64.8	Low	64.8	Low	31 Å²	31	77.7 Å²	77.7	22%	0.217	40%	0.395	C	S	.	.	H	α-helix	trans	-65.2	-44	176.7	-62	0	0	0	0	111.5	D148 I149 L154 K155 L156	D148-S152 WeakPolarHBondContact O-CB 3.4Å; D148-S152 PolarHBondContact O-N 2.94Å; D148-S152 PolarHBondContact O-OG 2.9Å; I149-S152 PolarHBondContact O-N 2.79Å; S152-L154 VanDerWaalsContact C-N 3.34Å; S152-L154 PolarHBondContact O-N 3.26Å; S152-K155 PolarHBondContact O-N 3.06Å; S152-L156 WeakPolarHBondContact O-CB 3.32Å; S152-L156 PolarHBondContact O-N 3.2Å
153	L	67.2	Low	64.4	Low	58 Å²	58	76.3 Å²	76.3	30%	0.304	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-39.8	173	-70.4	174.3	0	0	0	111.8	L116 T119 I149 L150 L156 V157	L116-L153 HydrophobicContact CD2-CD2 3.72Å; T119-L153 HydrophobicContact CG2-CD2 4.15Å; T119-L153 HydrophobicContact CG2-CG 4.3Å; I149-L153 HydrophobicContact CG2-CD1 4.06Å; I149-L153 HydrophobicContact CG2-CG 4.47Å; I149-L153 WeakPolarHBondContact O-CB 3.46Å; I149-L153 WeakPolarHBondContact O-CG 3.36Å; I149-L153 PolarHBondContact O-N 2.89Å; L150-L153 PolarHBondContact O-N 2.86Å; L153-L156 WeakPolarHBondContact O-CB 3.43Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-V157 WeakPolarHBondContact O-CG2 3.38Å; L153-V157 PolarHBondContact O-N 3.34Å
154	L	67.3	Low	64.1	Low	84 Å²	84	78.3 Å²	78.3	44%	0.44	39%	0.39	S	S	.	.	H	α-helix	trans	-65	-43.1	176.6	-173.3	70.5	0	0	0	111.7	L150 L151 S152 L156 V157 R158	L150-L154 VanDerWaalsContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CB 3.49Å; L150-L154 PolarHBondContact O-N 2.86Å; L151-L154 PolarHBondContact O-N 2.86Å; S152-L154 VanDerWaalsContact C-N 3.34Å; S152-L154 PolarHBondContact O-N 3.26Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.38Å; L154-V157 PolarHBondContact O-N 3.41Å; L154-R158 WeakPolarHBondContact O-CG 3.35Å; L154-R158 PolarHBondContact O-N 3.3Å
155	K	65.4	Low	63.8	Low	143 Å²	143	77.8 Å²	77.8	62%	0.622	38%	0.384	S	S	*	.	H	α-helix	trans	-59	-41.6	172.8	-75.1	175.4	-179.3	176.5	0	110.6	L151 S152 R158 L159	L151-K155 WeakPolarHBondContact O-CG 3.41Å; L151-K155 PolarHBondContact O-N 2.91Å; S152-K155 PolarHBondContact O-N 3.06Å; K155-R158 WeakPolarHBondContact O-CB 3.32Å; K155-R158 PolarHBondContact O-N 3.32Å; K155-L159 WeakPolarHBondContact O-CG 3.38Å; K155-L159 PolarHBondContact O-N 3Å
156	L	63.1	Low	63.5	Low	9 Å²	9	83.2 Å²	83.2	5%	0.047	42%	0.419	C	S	.	.	H	α-helix	trans	-64.5	-47.2	177.8	-178.4	57.8	0	0	0	113	V112 L115 L116 S152 L153 L154 R158 L159 Y160	V112-L156 HydrophobicContact CB-CD1 4.38Å; V112-L156 HydrophobicContact CG1-CD1 4.09Å; V112-L156 HydrophobicContact CG1-CD2 4.02Å; V112-L156 HydrophobicContact CG1-CG 4.06Å; V112-L156 HydrophobicContact CG2-CD1 4.18Å; L115-L156 HydrophobicContact CB-CD1 3.38Å; L115-L156 HydrophobicContact CB-CD2 3.94Å; L115-L156 HydrophobicContact CB-CG 4.29Å; L115-L156 HydrophobicContact CD1-CD1 3.25Å; L115-L156 HydrophobicContact CG-CD1 3.9Å; L116-L156 HydrophobicContact CD2-CD2 3.48Å; L116-L156 VanDerWaalsContact CD2-CD2 3.48Å; L116-L156 HydrophobicContact CG-CD2 3.63Å; S152-L156 WeakPolarHBondContact O-CB 3.32Å; S152-L156 PolarHBondContact O-N 3.2Å; L153-L156 WeakPolarHBondContact O-CB 3.43Å; L153-L156 PolarHBondContact O-N 2.87Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.38Å; L156-R158 PolarHBondContact O-N 3.48Å; L156-L159 PolarHBondContact O-N 3.17Å; L156-Y160 PolarHBondContact O-N 3.23Å
157	V	65.6	Low	63.5	Low	93 Å²	93	89.1 Å²	89.1	56%	0.564	44%	0.44	S	S	*	.	H	α-helix	trans	-59.2	-39.1	175.4	169.7	0	0	0	0	110.6	L153 L154 Y160 K161	L153-V157 WeakPolarHBondContact O-CG2 3.38Å; L153-V157 PolarHBondContact O-N 3.34Å; L154-V157 PolarHBondContact O-N 3.41Å; V157-Y160 PolarHBondContact O-N 2.98Å; V157-K161 WeakPolarHBondContact O-CB 3.47Å; V157-K161 PolarHBondContact O-N 2.87Å
158	R	66.7	Low	62.9	Low	159 Å²	159	87.5 Å²	87.5	60%	0.6	43%	0.429	S	S	*	.	H	α-helix	trans	-62.8	-49.7	173.9	-74.7	177.4	178.5	-174.8	0.6	111.6	L154 K155 L156 Y160 K161 I162	L154-R158 WeakPolarHBondContact O-CG 3.35Å; L154-R158 PolarHBondContact O-N 3.3Å; K155-R158 WeakPolarHBondContact O-CB 3.32Å; K155-R158 PolarHBondContact O-N 3.32Å; L156-R158 PolarHBondContact O-N 3.48Å; R158-Y160 VanDerWaalsContact C-N 3.3Å; R158-Y160 PolarHBondContact O-N 2.8Å; R158-K161 PolarHBondContact O-N 3.45Å; R158-I162 WeakPolarHBondContact O-CD1 3.35Å; R158-I162 WeakPolarHBondContact O-CG1 3.26Å; R158-I162 PolarHBondContact O-N 3.39Å
159	L	62.9	Low	62.2	Low	54 Å²	54	87.3 Å²	87.3	28%	0.283	45%	0.445	S	S	.	.	H	α-helix	trans	-57.4	-43.7	177	-73.1	172	0	0	0	111.8	L115 K155 L156 I162 Q163	L115-L159 HydrophobicContact CD1-CD1 4.3Å; K155-L159 WeakPolarHBondContact O-CG 3.38Å; K155-L159 PolarHBondContact O-N 3Å; L156-L159 PolarHBondContact O-N 3.17Å; L159-I162 PolarHBondContact O-N 3.29Å; L159-Q163 PolarHBondContact O-N 2.99Å
160	Y	59.9	Low	61.5	Low	106 Å²	106	90.7 Å²	90.7	42%	0.416	46%	0.463	S	S	.	.	H	α-helix	trans	-63.7	-45	177.2	-174.8	-119.3	0	0	0	112.8	V112 L156 V157 R158 I162 Q163 Q164	V112-Y160 HydrophobicContact CB-CD2 4.36Å; V112-Y160 HydrophobicContact CG2-CD2 3.32Å; V112-Y160 HydrophobicContact CG2-CE2 4.09Å; V112-Y160 HydrophobicContact CG2-CG 3.84Å; L156-Y160 PolarHBondContact O-N 3.23Å; V157-Y160 PolarHBondContact O-N 2.98Å; R158-Y160 VanDerWaalsContact C-N 3.3Å; R158-Y160 PolarHBondContact O-N 2.8Å; Y160-I162 PolarHBondContact O-N 3.28Å; Y160-Q163 PolarHBondContact O-N 3.41Å; Y160-Q164 HydrophobicContact CD1-CG 4.29Å; Y160-Q164 HydrophobicContact CD2-CG 4.3Å; Y160-Q164 VanDerWaalsContact CE1-CD 3.43Å; Y160-Q164 HydrophobicContact CE1-CG 3.98Å; Y160-Q164 HydrophobicContact CE2-CG 4.03Å; Y160-Q164 HydrophobicContact CG-CG 4.49Å; Y160-Q164 WeakPolarHBondContact O-CB 3.29Å; Y160-Q164 WeakPolarHBondContact O-CG 3.38Å; Y160-Q164 PolarHBondContact O-N 3.11Å; Y160-Q164 PolarHBondContact OH-NE2 3.44Å
161	K	62.8	Low	60.5	Low	160 Å²	160	86.6 Å²	86.6	70%	0.696	44%	0.441	S	S	*	.	H	α-helix	trans	-61.4	-36.6	176.8	-172.8	177.9	179.5	-178.3	0	111.3	V157 R158 D165	V157-K161 WeakPolarHBondContact O-CB 3.47Å; V157-K161 PolarHBondContact O-N 2.87Å; R158-K161 PolarHBondContact O-N 3.45Å; K161-D165 PolarHBondContact O-N 2.84Å; K161-D165 VanDerWaalsContact O-N 3.12Å
162	I	62	Low	59.5	Low	65 Å²	65	85.7 Å²	85.7	33%	0.333	45%	0.452	S	S	.	.	H	α-helix	trans	-67.6	-44.7	175.4	-64.6	164.9	0	0	0	110.2	R158 L159 Y160 Q164 D165 N168 F171	R158-I162 WeakPolarHBondContact O-CD1 3.35Å; R158-I162 WeakPolarHBondContact O-CG1 3.26Å; R158-I162 PolarHBondContact O-N 3.39Å; L159-I162 PolarHBondContact O-N 3.29Å; Y160-I162 PolarHBondContact O-N 3.28Å; I162-Q164 VanDerWaalsContact C-N 3.34Å; I162-Q164 PolarHBondContact O-N 3.4Å; I162-D165 PolarHBondContact O-N 2.8Å; I162-N168 WeakPolarHBondContact CG2-ND2 3.47Å; I162-N168 WeakPolarHBondContact O-CB 3.47Å; I162-N168 PolarHBondContact O-ND2 3.24Å; I162-F171 HydrophobicContact CB-CE2 4.23Å; I162-F171 HydrophobicContact CB-CZ 4.31Å; I162-F171 HydrophobicContact CG2-CD2 3.73Å; I162-F171 HydrophobicContact CG2-CE2 3.06Å; I162-F171 HydrophobicContact CG2-CZ 3.54Å
163	Q	57.5	Low	58.5	Low	63 Å²	63	91.3 Å²	91.3	29%	0.294	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-36	175.5	-78.1	178.8	-20	0	0	113.1	G108 L159 Y160 F171	G108-Q163 PolarHBondContact O-NE2 3.4Å; L159-Q163 PolarHBondContact O-N 2.99Å; Y160-Q163 PolarHBondContact O-N 3.41Å; Q163-F171 HydrophobicContact CG-CB 4.48Å; Q163-F171 HydrophobicContact CG-CD1 3.5Å; Q163-F171 HydrophobicContact CG-CE1 3.94Å; Q163-F171 HydrophobicContact CG-CG 4.1Å
164	Q	56.6	Low	57.3	Low	121 Å²	121	94.6 Å²	94.6	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-77.5	-18.6	177.8	-75.9	-156.8	-20.6	0	0	113.9	Y160 I162 P166	Y160-Q164 HydrophobicContact CD1-CG 4.29Å; Y160-Q164 HydrophobicContact CD2-CG 4.3Å; Y160-Q164 VanDerWaalsContact CE1-CD 3.43Å; Y160-Q164 HydrophobicContact CE1-CG 3.98Å; Y160-Q164 HydrophobicContact CE2-CG 4.03Å; Y160-Q164 HydrophobicContact CG-CG 4.49Å; Y160-Q164 WeakPolarHBondContact O-CB 3.29Å; Y160-Q164 WeakPolarHBondContact O-CG 3.38Å; Y160-Q164 PolarHBondContact O-N 3.11Å; Y160-Q164 PolarHBondContact OH-NE2 3.44Å; I162-Q164 VanDerWaalsContact C-N 3.34Å; I162-Q164 PolarHBondContact O-N 3.4Å; Q164-P166 WeakPolarHBondContact O-CD 3.35Å; Q164-P166 VanDerWaalsContact O-N 3.14Å
165	D	59.6	Low	56.3	Low	59 Å²	59	91.3 Å²	91.3	32%	0.316	47%	0.472	S	S	.	.			trans	-64.2	117.4	176.8	-172.7	-19.8	0	0	0	108.2	K161 I162 K167 N168	K161-D165 PolarHBondContact O-N 2.84Å; K161-D165 VanDerWaalsContact O-N 3.12Å; I162-D165 PolarHBondContact O-N 2.8Å; D165-K167 PolarHBondContact O-N 3.18Å; D165-K167 VanDerWaalsContact OD1-CB 3.27Å; D165-K167 WeakPolarHBondContact OD1-CB 3.18Å; D165-K167 WeakPolarHBondContact OD1-CG 3.38Å; D165-K167 PolarHBondContact OD1-N 2.89Å; D165-N168 HydrophobicContact CB-CB 4.36Å; D165-N168 WeakPolarHBondContact CB-ND2 3.4Å; D165-N168 CarbonylContact O-C 3.56Å; D165-N168 WeakPolarHBondContact O-CA 3.47Å; D165-N168 WeakPolarHBondContact O-CB 3.35Å; D165-N168 PolarHBondContact O-N 3.26Å
166	P	56.8	Low	55.3	Low	120 Å²	120	87.4 Å²	87.4	78%	0.779	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-59.1	-21.4	179.5	22.2	-32.2	0	0	0	112.7	Q164 N168 G169	Q164-P166 WeakPolarHBondContact O-CD 3.35Å; Q164-P166 VanDerWaalsContact O-N 3.14Å; P166-N168 PolarHBondContact O-N 2.95Å; P166-G169 PolarHBondContact O-N 2.93Å
167	K	64.2	Low	54.1	Low	181 Å²	181	93.7 Å²	93.7	79%	0.787	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.1	172.3	-62.8	177.1	179.8	175.6	0	113.2	D165	D165-K167 PolarHBondContact O-N 3.18Å; D165-K167 VanDerWaalsContact OD1-CB 3.27Å; D165-K167 WeakPolarHBondContact OD1-CB 3.18Å; D165-K167 WeakPolarHBondContact OD1-CG 3.38Å; D165-K167 PolarHBondContact OD1-N 2.89Å
168	N	54.7	Low	53.1	Low	38 Å²	38	94.9 Å²	94.9	20%	0.203	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-106.8	19.6	178.9	-60.7	-31.3	0	0	0	111.9	I162 D165 P166 D170 F171	I162-N168 WeakPolarHBondContact CG2-ND2 3.47Å; I162-N168 WeakPolarHBondContact O-CB 3.47Å; I162-N168 PolarHBondContact O-ND2 3.24Å; D165-N168 HydrophobicContact CB-CB 4.36Å; D165-N168 WeakPolarHBondContact CB-ND2 3.4Å; D165-N168 CarbonylContact O-C 3.56Å; D165-N168 WeakPolarHBondContact O-CA 3.47Å; D165-N168 WeakPolarHBondContact O-CB 3.35Å; D165-N168 PolarHBondContact O-N 3.26Å; P166-N168 PolarHBondContact O-N 2.95Å; N168-D170 CarbonylContact O-C 3.57Å; N168-D170 PolarHBondContact O-N 3.35Å; N168-F171 HydrophobicContact CB-CD2 4.18Å; N168-F171 WeakPolarHBondContact O-CB 3.49Å; N168-F171 PolarHBondContact O-N 3.14Å
169	G	49.3	Very low	52.1	Low	73 Å²	73	91.3 Å²	91.3	75%	0.753	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-8.3	179.5	0	0	0	0	0	115.5	P166	P166-G169 PolarHBondContact O-N 2.93Å
170	D	49.5	Very low	51.1	Low	95 Å²	95	94.9 Å²	94.9	51%	0.508	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	33.9	172.9	-156.9	12.5	0	0	0	112.8	N168 G172 M173	N168-D170 CarbonylContact O-C 3.57Å; N168-D170 PolarHBondContact O-N 3.35Å; D170-G172 PolarHBondContact O-N 2.84Å; D170-G172 VanDerWaalsContact O-N 3.11Å; D170-M173 PolarHBondContact O-N 2.78Å; D170-M173 VanDerWaalsContact OD1-CG 3.29Å; D170-M173 WeakPolarHBondContact OD1-CG 3.2Å
171	F	46.6	Very low	50.5	Low	21 Å²	21	92 Å²	92	9%	0.092	48%	0.483	C	S	.	.	H	α-helix	trans	-60.7	-21.3	-177.2	-152.8	-111.9	0	0	0	113.1	I162 Q163 N168 M173 T175	I162-F171 HydrophobicContact CB-CE2 4.23Å; I162-F171 HydrophobicContact CB-CZ 4.31Å; I162-F171 HydrophobicContact CG2-CD2 3.73Å; I162-F171 HydrophobicContact CG2-CE2 3.06Å; I162-F171 HydrophobicContact CG2-CZ 3.54Å; Q163-F171 HydrophobicContact CG-CB 4.48Å; Q163-F171 HydrophobicContact CG-CD1 3.5Å; Q163-F171 HydrophobicContact CG-CE1 3.94Å; Q163-F171 HydrophobicContact CG-CG 4.1Å; N168-F171 HydrophobicContact CB-CD2 4.18Å; N168-F171 WeakPolarHBondContact O-CB 3.49Å; N168-F171 PolarHBondContact O-N 3.14Å; F171-M173 VanDerWaalsContact C-N 3.28Å; F171-M173 PolarHBondContact O-N 3.36Å; F171-T175 HydrophobicContact CD1-CG2 3.62Å; F171-T175 HydrophobicContact CD2-CG2 4.48Å; F171-T175 HydrophobicContact CE1-CG2 3.36Å; F171-T175 HydrophobicContact CE2-CG2 4.2Å; F171-T175 HydrophobicContact CG-CG2 4.2Å; F171-T175 HydrophobicContact CZ-CG2 3.68Å; F171-T175 VanDerWaalsContact O-CG2 3.26Å; F171-T175 WeakPolarHBondContact O-CG2 3.44Å; F171-T175 PolarHBondContact O-OG1 2.8Å
172	G	47.1	Very low	49.4	Very low	66 Å²	66	87.8 Å²	87.8	68%	0.68	49%	0.485	S	S	*	.	H	α-helix	trans	-64	-28.3	172.2	0	0	0	0	0	113.9	D170	D170-G172 PolarHBondContact O-N 2.84Å; D170-G172 VanDerWaalsContact O-N 3.11Å
173	M	43.7	Very low	47.9	Very low	150 Å²	150	94 Å²	94	74%	0.739	50%	0.504	S	S	*	.	H	α-helix	trans	-98.1	-25.6	-176.2	-73.7	-85.5	-164.5	0	0	114.1	D170 F171	D170-M173 PolarHBondContact O-N 2.78Å; D170-M173 VanDerWaalsContact OD1-CG 3.29Å; D170-M173 WeakPolarHBondContact OD1-CG 3.2Å; F171-M173 VanDerWaalsContact C-N 3.28Å; F171-M173 PolarHBondContact O-N 3.36Å
174	K	42.1	Very low	46.6	Very low	126 Å²	126	95.7 Å²	95.7	55%	0.548	52%	0.524	S	S	.	.	H	α-helix	trans	-100.3	3.5	-172	-71.6	-174.5	179.5	175.4	0	115.6	S176 Y177	K174-S176 PolarHBondContact O-N 2.93Å; K174-Y177 PolarHBondContact O-N 3.29Å
175	T	46	Very low	45.5	Very low	15 Å²	15	105.4 Å²	105.4	9%	0.092	56%	0.555	C	S	.	*	H	α-helix	trans	-73.7	-19.1	-170.9	27	0	0	0	0	115.4	F171 Y177	F171-T175 HydrophobicContact CD1-CG2 3.62Å; F171-T175 HydrophobicContact CD2-CG2 4.48Å; F171-T175 HydrophobicContact CE1-CG2 3.36Å; F171-T175 HydrophobicContact CE2-CG2 4.2Å; F171-T175 HydrophobicContact CG-CG2 4.2Å; F171-T175 HydrophobicContact CZ-CG2 3.68Å; F171-T175 VanDerWaalsContact O-CG2 3.26Å; F171-T175 WeakPolarHBondContact O-CG2 3.44Å; F171-T175 PolarHBondContact O-OG1 2.8Å; T175-Y177 PolarHBondContact O-N 3.46Å
176	S	45.3	Very low	44.8	Very low	62 Å²	62	107.7 Å²	107.7	43%	0.434	57%	0.567	S	S	.	*	H	α-helix	trans	-61.8	-31.4	171.3	66.2	0	0	0	0	112.2	K174 Q180	K174-S176 PolarHBondContact O-N 2.93Å; S176-Q180 WeakPolarHBondContact O-CB 3.21Å; S176-Q180 WeakPolarHBondContact O-CG 3.27Å; S176-Q180 PolarHBondContact O-OE1 3.04Å
177	Y	38.4	Very low	44.2	Very low	141 Å²	141	107.1 Å²	107.1	55%	0.553	56%	0.556	S	S	*	*	H	α-helix	trans	-82.9	-37	-172.5	-167.5	-96	0	0	0	114.2	K174 T175 T181	K174-Y177 PolarHBondContact O-N 3.29Å; T175-Y177 PolarHBondContact O-N 3.46Å; Y177-T181 HydrophobicContact CE2-CG2 4.39Å; Y177-T181 WeakPolarHBondContact O-CG2 3.39Å; Y177-T181 PolarHBondContact O-N 3.12Å; Y177-T181 PolarHBondContact O-OG1 3.33Å
178	Y	42.9	Very low	43.1	Very low	118 Å²	118	102.9 Å²	102.9	46%	0.463	54%	0.543	S	S	.	.	H	α-helix	trans	-82.3	-32.8	-174.3	-75.2	-77.7	0	0	0	113.5
179	I	46.1	Very low	42.4	Very low	84 Å²	84	106.8 Å²	106.8	43%	0.431	56%	0.563	S	S	.	*	H	α-helix	trans	-71.7	-37.9	176.6	-61.9	176.7	0	0	0	110.2
180	Q	42.9	Very low	42	Very low	128 Å²	128	108.9 Å²	108.9	60%	0.598	55%	0.551	S	S	*	*	H	α-helix	trans	-70.9	-34.2	-179.6	-80.8	-174.9	-25.8	0	0	114.1	S176	S176-Q180 WeakPolarHBondContact O-CB 3.21Å; S176-Q180 WeakPolarHBondContact O-CG 3.27Å; S176-Q180 PolarHBondContact O-OE1 3.04Å
181	T	46.8	Very low	41.5	Very low	46 Å²	46	109.8 Å²	109.8	28%	0.282	55%	0.554	S	S	.	*	H	α-helix	trans	-100.4	-15.2	-163.8	64.7	0	0	0	0	113.8	Y177 W183	Y177-T181 HydrophobicContact CE2-CG2 4.39Å; Y177-T181 WeakPolarHBondContact O-CG2 3.39Å; Y177-T181 PolarHBondContact O-N 3.12Å; Y177-T181 PolarHBondContact O-OG1 3.33Å; T181-W183 PolarHBondContact O-N 2.91Å; T181-W183 VanDerWaalsContact O-N 3.14Å
182	G	39.6	Very low	41.1	Very low	72 Å²	72	116.1 Å²	116.1	74%	0.742	59%	0.587	S	S	*	*			trans	60.7	22	179.6	0	0	0	0	0	113.9
183	W	30.8	Very low	40.7	Very low	194 Å²	194	120 Å²	120	74%	0.735	58%	0.58	S	S	*	*			trans	-80.3	131.6	-175.9	-77.9	65.4	0	0	0	113.1	T181	T181-W183 PolarHBondContact O-N 2.91Å; T181-W183 VanDerWaalsContact O-N 3.14Å
184	S	30.8	Very low	40.4	Very low	100 Å²	100	117.5 Å²	117.5	70%	0.699	57%	0.567	S	S	*	*			trans	-69.9	141.9	162.5	51.5	0	0	0	0	112.9
185	R	33.4	Very low	40.3	Very low	324 Å²	324	116.7 Å²	116.7	100%	1.223	57%	0.568	S	S	*	*				-132.3	0	127.6	-92.5	-169.6	175.5	-179	-0.6	109.1

Retrieved 185 of 185 residues in 72.8 ms (Link to these results)

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