Q99NB4_RAT Loading...

Cyclin D1

AlphaFold DB , UniProt , Accession Q99NB4, Species RAT (Rattus norvegicus, Rat), Gene n/a, Length 191 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	45.3	Very low	235 Å²	235	156.5 Å²	156.5	100%	1.158	80%	0.803	S	S	*	*				0	116.6	0	-102	178.7	-73	0	0	106.5
2	E	36	Very low	46.5	Very low	176 Å²	176	151.3 Å²	151.3	82%	0.822	78%	0.784	S	S	*	*			trans	-60.6	129.3	-164.8	-67.1	164.8	152.9	0	0	111.8	Q4	E2-Q4 VanDerWaalsContact C-N 3.25Å; E2-Q4 PolarHBondContact O-N 3.46Å
3	H	42.2	Very low	48	Very low	185 Å²	185	147 Å²	147	86%	0.856	76%	0.761	S	S	*	*			trans	-72.5	87.9	160.5	-72.6	-82.3	0	0	0	107.4	L5	H3-L5 VanDerWaalsContact C-N 3.25Å; H3-L5 PolarHBondContact O-N 2.95Å
4	Q	41.9	Very low	49.5	Very low	150 Å²	150	152.4 Å²	152.4	70%	0.701	77%	0.767	S	S	*	*			trans	-67.5	93.3	162.5	-91.8	-178.7	-8.6	0	0	107.7	E2 L6	E2-Q4 VanDerWaalsContact C-N 3.25Å; E2-Q4 PolarHBondContact O-N 3.46Å; Q4-L6 PolarHBondContact O-N 2.95Å
5	L	43.7	Very low	51	Low	155 Å²	155	153.8 Å²	153.8	81%	0.812	76%	0.759	S	S	*	*			trans	-59.2	96.6	152.9	-72.5	162.9	0	0	0	105.9	H3 C7	H3-L5 VanDerWaalsContact C-N 3.25Å; H3-L5 PolarHBondContact O-N 2.95Å; L5-C7 PolarHBondContact O-N 2.99Å
6	L	49.4	Very low	52.6	Low	142 Å²	142	150.1 Å²	150.1	74%	0.743	76%	0.761	S	S	*	*			trans	-65.3	93.3	166.4	-74.9	158.5	0	0	0	106.2	Q4 C8	Q4-L6 PolarHBondContact O-N 2.95Å; L6-C8 PolarHBondContact O-N 3.31Å
7	C	45.4	Very low	54	Low	107 Å²	107	152.1 Å²	152.1	72%	0.723	76%	0.759	S	S	*	*			trans	-59.4	89.2	159.8	-64.9	0	0	0	0	106.8	L5 E9	L5-C7 PolarHBondContact O-N 2.99Å; C7-E9 PolarHBondContact O-N 3.2Å
8	C	45.7	Very low	55.2	Low	99 Å²	99	150.8 Å²	150.8	67%	0.669	76%	0.763	S	S	*	*			trans	-69.3	79.2	165.3	-66	0	0	0	0	107.4	L6 V10	L6-C8 PolarHBondContact O-N 3.31Å; C8-V10 PolarHBondContact O-N 2.9Å
9	E	49.2	Very low	56.7	Low	185 Å²	185	145.5 Å²	145.5	86%	0.864	74%	0.737	S	S	*	*			trans	-72.5	54	161.1	-71	-173.2	167	0	0	109.8	C7	C7-E9 PolarHBondContact O-N 3.2Å
10	V	53.2	Low	57.9	Low	99 Å²	99	143.3 Å²	143.3	60%	0.6	73%	0.731	S	S	*	*	S	Bend	trans	-121.9	124.2	163.9	-172.7	0	0	0	0	103.7	C8 T12	C8-V10 PolarHBondContact O-N 2.9Å; V10-T12 HydrophobicContact CB-CG2 4.07Å; V10-T12 HydrophobicContact CG1-CG2 3.85Å; V10-T12 PolarHBondContact O-N 2.63Å; V10-T12 PolarHBondContact O-OG1 2.89Å
11	E	53.8	Low	59	Low	189 Å²	189	141.4 Å²	141.4	88%	0.883	72%	0.722	S	S	*	*			trans	-61.6	67.3	163.9	-72.3	-177.1	158.6	0	0	108.6	I13	E11-I13 PolarHBondContact O-N 2.71Å
12	T	60.1	Low	61.1	Low	94 Å²	94	135 Å²	135	58%	0.577	69%	0.692	S	S	*	*			trans	-72.2	116	169.3	40	0	0	0	0	105	V10 R14	V10-T12 HydrophobicContact CB-CG2 4.07Å; V10-T12 HydrophobicContact CG1-CG2 3.85Å; V10-T12 PolarHBondContact O-N 2.63Å; V10-T12 PolarHBondContact O-OG1 2.89Å; T12-R14 PolarHBondContact O-N 3.15Å
13	I	65	Low	63.4	Low	95 Å²	95	129.1 Å²	129.1	49%	0.487	67%	0.666	S	S	.	*			trans	-49.2	112.6	170	-63	173.4	0	0	0	106.3	E11 R15	E11-I13 PolarHBondContact O-N 2.71Å; I13-R15 HydrophobicContact CG2-CG 4.2Å; I13-R15 PolarHBondContact O-N 3.04Å
14	R	69.2	Low	65.6	Low	222 Å²	222	124.1 Å²	124.1	84%	0.838	65%	0.646	S	S	*	*			trans	-67.9	108.6	-179.5	-70.2	-175.8	179.4	179.6	0.7	107.7	T12	T12-R14 PolarHBondContact O-N 3.15Å
15	R	72.8	Confident	68	Low	174 Å²	174	121.3 Å²	121.3	66%	0.657	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-103.1	143.4	176.6	-68.3	-177.2	171.3	-168.2	-9.3	109.9	I13 E74	I13-R15 HydrophobicContact CG2-CG 4.2Å; I13-R15 PolarHBondContact O-N 3.04Å; R15-E74 IonicContact CZ-OE1 3.65Å; R15-E74 IonicContact NE-OE1 3.97Å; R15-E74 IonicContact NH2-OE1 2.86Å; R15-E74 PolarHBondContact NH2-OE1 3.46Å; R15-E74 IonicContact NH2-OE2 3.86Å; R15-E74 PolarHBondContact NH2-OE2 3.29Å
16	A	75.8	Confident	70.3	Confident	95 Å²	95	123.7 Å²	123.7	79%	0.785	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-64.9	149.5	168.5	0	0	0	0	0	109.7
17	Y	77.1	Confident	72.4	Confident	184 Å²	184	118.5 Å²	118.5	72%	0.722	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-69.6	149.4	171.7	61.7	-89.8	0	0	0	109.9	D19	Y17-D19 HydrophobicContact CE2-CB 4.37Å; Y17-D19 PolarHBondContact O-N 2.97Å
18	P	75.9	Confident	74.7	Confident	128 Å²	128	115.1 Å²	115.1	83%	0.831	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-61.5	122	174.3	-22.1	33.2	0	0	0	111.1
19	D	82.8	Confident	77	Confident	50 Å²	50	119.2 Å²	119.2	27%	0.267	58%	0.584	S	S	.	*			trans	-103.3	107.5	175.3	-178.5	6.7	0	0	0	110.4	Y17 N21 L22	Y17-D19 HydrophobicContact CE2-CB 4.37Å; Y17-D19 PolarHBondContact O-N 2.97Å; D19-N21 PolarHBondContact O-N 2.97Å; D19-N21 VanDerWaalsContact OD1-CB 3.27Å; D19-N21 WeakPolarHBondContact OD1-CB 3.48Å; D19-N21 PolarHBondContact OD1-N 3.22Å; D19-N21 PolarHBondContact OD1-ND2 3.41Å; D19-L22 HydrophobicContact CB-CD1 3.94Å; D19-L22 HydrophobicContact CB-CG 3.95Å; D19-L22 WeakPolarHBondContact O-CB 3.5Å; D19-L22 PolarHBondContact O-N 2.78Å; D19-L22 VanDerWaalsContact O-N 3.1Å
20	T	80.1	Confident	79	Confident	101 Å²	101	112.9 Å²	112.9	62%	0.62	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-64.7	-21.3	179.5	53	0	0	0	0	113	L22 L23	T20-L22 PolarHBondContact O-N 2.95Å; T20-L23 PolarHBondContact O-N 3.21Å
21	N	82.5	Confident	81	Confident	104 Å²	104	109 Å²	109	56%	0.556	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.5	175.4	-63.5	-62.8	0	0	0	112.5	D19 L23 V27	D19-N21 PolarHBondContact O-N 2.97Å; D19-N21 VanDerWaalsContact OD1-CB 3.27Å; D19-N21 WeakPolarHBondContact OD1-CB 3.48Å; D19-N21 PolarHBondContact OD1-N 3.22Å; D19-N21 PolarHBondContact OD1-ND2 3.41Å; N21-L23 PolarHBondContact O-N 2.74Å; N21-V27 WeakPolarHBondContact O-CG2 3.41Å
22	L	82.1	Confident	82.9	Confident	101 Å²	101	103.7 Å²	103.7	53%	0.529	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-74.1	-10.1	174.8	-57.8	179.4	0	0	0	112.7	D19 T20 V27	D19-L22 HydrophobicContact CB-CD1 3.94Å; D19-L22 HydrophobicContact CB-CG 3.95Å; D19-L22 WeakPolarHBondContact O-CB 3.5Å; D19-L22 PolarHBondContact O-N 2.78Å; D19-L22 VanDerWaalsContact O-N 3.1Å; T20-L22 PolarHBondContact O-N 2.95Å; L22-V27 WeakPolarHBondContact O-CB 3.48Å; L22-V27 WeakPolarHBondContact O-CG1 3.17Å
23	L	83.8	Confident	84.6	Confident	52 Å²	52	106.3 Å²	106.3	27%	0.272	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-106.1	18.7	-173.9	-54.9	174.2	0	0	0	113.3	T20 N21 H163 K167	T20-L23 PolarHBondContact O-N 3.21Å; N21-L23 PolarHBondContact O-N 2.74Å; L23-H163 PolarHBondContact O-CE1 2.6Å; L23-K167 WeakPolarHBondContact O-CE 3.27Å; L23-K167 PolarHBondContact O-NZ 2.91Å; L23-K167 VanDerWaalsContact O-NZ 3.14Å
24	N	89.2	Confident	85.9	Confident	81 Å²	81	104.1 Å²	104.1	43%	0.433	51%	0.511	S	S	.	.	S	Bend	trans	-93.3	155.9	179.3	-70.9	-26.4	0	0	0	112.5	R26 V27 L28	N24-R26 PolarHBondContact O-N 2.97Å; N24-R26 VanDerWaalsContact O-N 3.09Å; N24-V27 WeakPolarHBondContact O-CA 3.44Å; N24-V27 WeakPolarHBondContact O-CB 3.41Å; N24-V27 PolarHBondContact O-N 3.13Å; N24-L28 PolarHBondContact O-N 2.98Å; N24-L28 VanDerWaalsContact O-N 3.17Å
25	D	90.8	Very high	87	Confident	90 Å²	90	98 Å²	98	48%	0.481	49%	0.491	S	S	.	.	H	α-helix	trans	-60.1	-28.3	-175	-59.3	5.5	0	0	0	113.3	V27 L28 R29 K167	D25-V27 VanDerWaalsContact C-N 3.3Å; D25-L28 PolarHBondContact O-N 2.95Å; D25-R29 WeakPolarHBondContact O-CG 3.43Å; D25-R29 PolarHBondContact O-N 3.22Å; D25-R29 VanDerWaalsContact O-N 3.12Å; D25-K167 IonicContact OD1-NZ 3.52Å; D25-K167 PolarHBondContact OD1-NZ 3.26Å; D25-K167 VanDerWaalsContact OD1-NZ 3.1Å
26	R	93.3	Very high	88	Confident	205 Å²	205	96.7 Å²	96.7	77%	0.774	49%	0.493	S	S	*	.	H	α-helix	trans	-62.2	-40.5	172.8	-175.8	-178.1	67	151.5	0	111.4	N24 A30	N24-R26 PolarHBondContact O-N 2.97Å; N24-R26 VanDerWaalsContact O-N 3.09Å; R26-A30 PolarHBondContact O-N 3.14Å
27	V	92.9	Very high	88.8	Confident	33 Å²	33	96.3 Å²	96.3	20%	0.2	48%	0.481	C	S	.	.	H	α-helix	trans	-70.8	-42.7	179.4	-177.2	0	0	0	0	109.8	N21 L22 N24 D25 R29 A30 M31	N21-V27 WeakPolarHBondContact O-CG2 3.41Å; L22-V27 WeakPolarHBondContact O-CB 3.48Å; L22-V27 WeakPolarHBondContact O-CG1 3.17Å; N24-V27 WeakPolarHBondContact O-CA 3.44Å; N24-V27 WeakPolarHBondContact O-CB 3.41Å; N24-V27 PolarHBondContact O-N 3.13Å; D25-V27 VanDerWaalsContact C-N 3.3Å; V27-R29 VanDerWaalsContact C-N 3.3Å; V27-R29 PolarHBondContact O-N 3.1Å; V27-A30 CarbonylContact O-C 3.56Å; V27-A30 WeakPolarHBondContact O-CA 3.36Å; V27-A30 WeakPolarHBondContact O-CB 3.47Å; V27-A30 PolarHBondContact O-N 3.49Å; V27-M31 HydrophobicContact CG1-CG 4.2Å; V27-M31 HydrophobicContact CG1-SD 4.03Å; V27-M31 VanDerWaalsContact O-CG 3.28Å; V27-M31 WeakPolarHBondContact O-CG 3.46Å; V27-M31 PolarHBondContact O-N 3.35Å
28	L	93.9	Very high	89.5	Confident	37 Å²	37	87.7 Å²	87.7	19%	0.194	45%	0.447	C	S	.	.	H	α-helix	trans	-55	-44.5	174.2	-177.7	60.8	0	0	0	112.4	N24 D25 A30 M31 L32 F160	N24-L28 PolarHBondContact O-N 2.98Å; N24-L28 VanDerWaalsContact O-N 3.17Å; D25-L28 PolarHBondContact O-N 2.95Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-A30 PolarHBondContact O-N 3.42Å; L28-M31 WeakPolarHBondContact O-CB 3.04Å; L28-M31 PolarHBondContact O-N 2.97Å; L28-L32 HydrophobicContact CG-CD1 4.39Å; L28-L32 WeakPolarHBondContact O-CG 3.35Å; L28-L32 PolarHBondContact O-N 3.3Å; L28-F160 HydrophobicContact CD1-CD1 3.77Å; L28-F160 HydrophobicContact CD1-CE1 3.88Å
29	R	93.4	Very high	90.5	Very high	185 Å²	185	84.7 Å²	84.7	70%	0.698	43%	0.434	S	S	*	.	H	α-helix	trans	-62	-37.1	175.4	-68.7	-178.3	-138.5	-175.7	2.4	112.8	D25 V27 K33	D25-R29 WeakPolarHBondContact O-CG 3.43Å; D25-R29 PolarHBondContact O-N 3.22Å; D25-R29 VanDerWaalsContact O-N 3.12Å; V27-R29 VanDerWaalsContact C-N 3.3Å; V27-R29 PolarHBondContact O-N 3.1Å; R29-K33 PolarHBondContact O-N 3.03Å
30	A	92.6	Very high	91.1	Very high	52 Å²	52	84.8 Å²	84.8	43%	0.43	44%	0.437	S	S	.	.	H	α-helix	trans	-68.7	-41.1	175.7	0	0	0	0	0	111.4	R26 V27 L28 K33 T34	R26-A30 PolarHBondContact O-N 3.14Å; V27-A30 CarbonylContact O-C 3.56Å; V27-A30 WeakPolarHBondContact O-CA 3.36Å; V27-A30 WeakPolarHBondContact O-CB 3.47Å; V27-A30 PolarHBondContact O-N 3.49Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-A30 PolarHBondContact O-N 3.42Å; A30-K33 PolarHBondContact O-N 2.95Å; A30-T34 PolarHBondContact O-N 3.29Å; A30-T34 PolarHBondContact O-OG1 3.22Å; A30-T34 VanDerWaalsContact O-OG1 3.08Å
31	M	93.8	Very high	91.9	Very high	16 Å²	16	82.5 Å²	82.5	8%	0.079	43%	0.425	C	S	.	.	H	α-helix	trans	-58.5	-50.1	175.6	-65.6	164.2	65.7	0	0	111.1	V27 L28 K33 T34 E35 M155 D159 F160	V27-M31 HydrophobicContact CG1-CG 4.2Å; V27-M31 HydrophobicContact CG1-SD 4.03Å; V27-M31 VanDerWaalsContact O-CG 3.28Å; V27-M31 WeakPolarHBondContact O-CG 3.46Å; V27-M31 PolarHBondContact O-N 3.35Å; L28-M31 WeakPolarHBondContact O-CB 3.04Å; L28-M31 PolarHBondContact O-N 2.97Å; M31-K33 VanDerWaalsContact C-N 3.3Å; M31-K33 PolarHBondContact O-N 2.88Å; M31-T34 PolarHBondContact O-N 3.48Å; M31-T34 VanDerWaalsContact O-N 3.1Å; M31-E35 PolarHBondContact O-N 2.95Å; M31-M155 HydrophobicContact CB-CE 3.81Å; M31-M155 HydrophobicContact CB-CG 4.32Å; M31-M155 HydrophobicContact CB-SD 4.14Å; M31-M155 HydrophobicContact CE-CE 3.59Å; M31-M155 HydrophobicContact CG-CE 3.55Å; M31-M155 HydrophobicContact CG-SD 4.13Å; M31-M155 VanDerWaalsContact O-CG 3.27Å; M31-M155 WeakPolarHBondContact O-CG 3.43Å; M31-M155 HydrophobicContact SD-CE 4.33Å; M31-D159 VanDerWaalsContact CE-C 3.48Å; M31-D159 HydrophobicContact CE-CB 3.73Å; M31-D159 WeakPolarHBondContact CE-O 3.47Å; M31-F160 HydrophobicContact CB-CE1 3.85Å; M31-F160 HydrophobicContact CB-CZ 3.96Å; M31-F160 HydrophobicContact CE-CD1 3.76Å; M31-F160 HydrophobicContact CE-CD2 4.44Å; M31-F160 HydrophobicContact CE-CE1 3.95Å; M31-F160 HydrophobicContact CE-CG 4.03Å; M31-F160 HydrophobicContact CE-CZ 4.39Å
32	L	94.9	Very high	92.6	Very high	78 Å²	78	84.6 Å²	84.6	41%	0.408	44%	0.442	S	S	.	.	H	α-helix	trans	-57.4	-42.7	177.1	-68.7	170.2	0	0	0	112	L28 T34 E35 E36 F160	L28-L32 HydrophobicContact CG-CD1 4.39Å; L28-L32 WeakPolarHBondContact O-CG 3.35Å; L28-L32 PolarHBondContact O-N 3.3Å; L32-T34 PolarHBondContact O-N 3.46Å; L32-E35 WeakPolarHBondContact O-CB 3.34Å; L32-E35 PolarHBondContact O-N 3.2Å; L32-E36 PolarHBondContact O-N 2.93Å; L32-F160 HydrophobicContact CD2-CE1 3.78Å; L32-F160 HydrophobicContact CD2-CZ 4.15Å; L32-F160 HydrophobicContact CG-CE1 4.16Å
33	K	94	Very high	93.2	Very high	149 Å²	149	82.5 Å²	82.5	65%	0.648	44%	0.435	S	S	*	.	H	α-helix	trans	-65.2	-38.8	176.4	-171.9	177.9	-179.5	-178.6	0	112.5	R29 A30 M31	R29-K33 PolarHBondContact O-N 3.03Å; A30-K33 PolarHBondContact O-N 2.95Å; M31-K33 VanDerWaalsContact C-N 3.3Å; M31-K33 PolarHBondContact O-N 2.88Å
34	T	92.3	Very high	93.9	Very high	50 Å²	50	80.5 Å²	80.5	31%	0.307	42%	0.424	S	S	.	.	H	α-helix	trans	-67.3	-40.5	177.6	-60.9	0	0	0	0	111.2	A30 M31 L32 E36 T37 C38 M155	A30-T34 PolarHBondContact O-N 3.29Å; A30-T34 PolarHBondContact O-OG1 3.22Å; A30-T34 VanDerWaalsContact O-OG1 3.08Å; M31-T34 PolarHBondContact O-N 3.48Å; M31-T34 VanDerWaalsContact O-N 3.1Å; L32-T34 PolarHBondContact O-N 3.46Å; T34-E36 VanDerWaalsContact C-N 3.31Å; T34-E36 PolarHBondContact O-N 3Å; T34-T37 PolarHBondContact O-N 3.5Å; T34-T37 VanDerWaalsContact O-N 3.1Å; T34-T37 PolarHBondContact O-OG1 2.94Å; T34-C38 PolarHBondContact O-N 3.38Å; T34-M155 HydrophobicContact CG2-CG 3.98Å; T34-M155 HydrophobicContact CG2-SD 4.17Å
35	E	94.1	Very high	94.3	Very high	92 Å²	92	79.3 Å²	79.3	43%	0.43	42%	0.415	S	S	.	.	H	α-helix	trans	-54	-45.8	175.8	-178.5	-176.7	-152.5	0	0	111.8	M31 L32 T37 C38 A39 M155	M31-E35 PolarHBondContact O-N 2.95Å; L32-E35 WeakPolarHBondContact O-CB 3.34Å; L32-E35 PolarHBondContact O-N 3.2Å; E35-T37 PolarHBondContact O-N 2.86Å; E35-C38 CarbonylContact O-C 3.43Å; E35-C38 PolarHBondContact O-N 3.1Å; E35-A39 PolarHBondContact O-N 3.18Å; E35-M155 HydrophobicContact CB-CB 4.26Å; E35-M155 HydrophobicContact CB-CG 4.34Å
36	E	92.6	Very high	94.6	Very high	148 Å²	148	84 Å²	84	69%	0.692	43%	0.431	S	S	*	.	H	α-helix	trans	-56.8	-36.6	177.9	-68.8	174.6	-178.3	0	0	112.8	L32 T34 C38	L32-E36 PolarHBondContact O-N 2.93Å; T34-E36 VanDerWaalsContact C-N 3.31Å; T34-E36 PolarHBondContact O-N 3Å; E36-C38 PolarHBondContact O-N 2.75Å
37	T	92.9	Very high	94.8	Very high	86 Å²	86	78.5 Å²	78.5	53%	0.528	42%	0.423	S	S	.	.	H	α-helix	trans	-73.6	-15.9	179.5	71	0	0	0	0	113.7	T34 E35 N151	T34-T37 PolarHBondContact O-N 3.5Å; T34-T37 VanDerWaalsContact O-N 3.1Å; T34-T37 PolarHBondContact O-OG1 2.94Å; E35-T37 PolarHBondContact O-N 2.86Å; T37-N151 PolarHBondContact OG1-ND2 2.97Å
38	C	92.8	Very high	95	Very high	3 Å²	3	78.6 Å²	78.6	2%	0.02	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	17.6	-177.8	-69.2	0	0	0	0	112.3	T34 E35 E36 N83 R87 N151 A154	T34-C38 PolarHBondContact O-N 3.38Å; E35-C38 CarbonylContact O-C 3.43Å; E35-C38 PolarHBondContact O-N 3.1Å; E36-C38 PolarHBondContact O-N 2.75Å; C38-N83 PolarHBondContact O-ND2 2.86Å; C38-R87 VanDerWaalsContact O-CD 3.29Å; C38-R87 WeakPolarHBondContact O-CD 3.5Å; C38-N151 PolarHBondContact SG-ND2 3.47Å; C38-A154 HydrophobicContact CB-CB 3.68Å
39	A	95	Very high	95.2	Very high	66 Å²	66	77.4 Å²	77.4	55%	0.545	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-76.5	131.5	177.5	0	0	0	0	0	111.7	E35	E35-A39 PolarHBondContact O-N 3.18Å
40	P	96.6	Very high	95.4	Very high	51 Å²	51	79.4 Å²	79.4	33%	0.331	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-75.4	163.2	170	32.6	-34.7	0	0	0	111.6	D86 R87	P40-D86 HydrophobicContact CB-CB 3.73Å; P40-D86 HydrophobicContact CG-CB 3.99Å; P40-R87 HydrophobicContact CB-CG 4.26Å
41	S	96.6	Very high	95.6	Very high	53 Å²	53	81.1 Å²	81.1	37%	0.371	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-80.4	118.8	174.3	176.7	0	0	0	0	111	S43 Y44 S90	S41-S43 PolarHBondContact O-N 2.82Å; S41-Y44 WeakPolarHBondContact O-CD1 3.29Å; S41-Y44 PolarHBondContact O-N 3.27Å; S41-Y44 VanDerWaalsContact O-N 3.15Å; S41-S90 PolarHBondContact N-OG 2.98Å
42	V	96.3	Very high	95.8	Very high	149 Å²	149	80.5 Å²	80.5	90%	0.903	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26	-179.1	-177.8	0	0	0	0	112.9
43	S	96.6	Very high	95.9	Very high	56 Å²	56	80 Å²	80	39%	0.392	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	16.7	-176.9	66.8	0	0	0	0	114.4	S41 F45 K46 C47	S41-S43 PolarHBondContact O-N 2.82Å; S43-F45 PolarHBondContact O-N 3.45Å; S43-K46 PolarHBondContact O-N 3.32Å; S43-C47 PolarHBondContact O-N 3.26Å; S43-C47 PolarHBondContact OG-SG 3.43Å
44	Y	97.9	Very high	96.1	Very high	11 Å²	11	76.7 Å²	76.7	4%	0.043	42%	0.415	C	S	.	.	H	α-helix	trans	-60.3	-31.8	-174.7	71.7	-115.8	0	0	0	113.6	S41 K46 V48 Q49 R57 D86 L89 S90	S41-Y44 WeakPolarHBondContact O-CD1 3.29Å; S41-Y44 PolarHBondContact O-N 3.27Å; S41-Y44 VanDerWaalsContact O-N 3.15Å; Y44-K46 PolarHBondContact O-N 3.49Å; Y44-V48 WeakPolarHBondContact O-CA 3.21Å; Y44-V48 WeakPolarHBondContact O-CB 3.38Å; Y44-V48 PolarHBondContact O-N 3.08Å; Y44-Q49 HydrophobicContact CD2-CG 3.88Å; Y44-Q49 HydrophobicContact CE2-CG 4.45Å; Y44-Q49 PolarHBondContact O-N 3.35Å; Y44-R57 WeakPolarHBondContact OH-CD 3.46Å; Y44-D86 HydrophobicContact CE1-CB 4.07Å; Y44-D86 PolarHBondContact OH-OD1 3.05Å; Y44-L89 HydrophobicContact CD2-CB 3.86Å; Y44-L89 HydrophobicContact CE2-CB 3.82Å; Y44-L89 HydrophobicContact CE2-CD1 3.94Å; Y44-L89 HydrophobicContact CG-CB 4.35Å; Y44-S90 WeakPolarHBondContact CD1-OG 3.38Å
45	F	97.4	Very high	96.4	Very high	55 Å²	55	77.8 Å²	77.8	24%	0.241	42%	0.424	C	S	.	.	H	α-helix	trans	-62.5	-30.2	175.5	-74.2	-68.2	0	0	0	113.4	S43 I52 V53 P54 R57	S43-F45 PolarHBondContact O-N 3.45Å; F45-I52 WeakPolarHBondContact CD1-O 3.31Å; F45-I52 HydrophobicContact CE1-CG2 4.11Å; F45-V53 VanDerWaalsContact CE1-C 3.44Å; F45-P54 HydrophobicContact CD1-CG 4.17Å; F45-P54 HydrophobicContact CD2-CG 3.97Å; F45-P54 HydrophobicContact CE1-CG 4.17Å; F45-P54 HydrophobicContact CE2-CB 4.32Å; F45-P54 HydrophobicContact CE2-CG 3.97Å; F45-P54 HydrophobicContact CG-CG 4.07Å; F45-P54 HydrophobicContact CZ-CB 4.2Å; F45-P54 HydrophobicContact CZ-CG 4.06Å; F45-R57 HydrophobicContact CE1-CB 4.44Å; F45-R57 HydrophobicContact CZ-CB 3.88Å; F45-R57 HydrophobicContact CZ-CG 4.38Å
46	K	96.6	Very high	96.6	Very high	188 Å²	188	76.1 Å²	76.1	82%	0.817	42%	0.417	S	S	*	.	H	α-helix	trans	-92.6	-38.7	-179.3	-176.6	-179.6	177.4	-177.4	0	112	S43 Y44	S43-K46 PolarHBondContact O-N 3.32Å; Y44-K46 PolarHBondContact O-N 3.49Å
47	C	97.3	Very high	96.8	Very high	90 Å²	90	70.9 Å²	70.9	61%	0.608	39%	0.391	S	S	*	.	H	α-helix	trans	-96.9	-25.9	-167.9	-62.6	0	0	0	0	113.8	S43	S43-C47 PolarHBondContact O-N 3.26Å; S43-C47 PolarHBondContact OG-SG 3.43Å
48	V	97.9	Very high	97.1	Very high	36 Å²	36	72.6 Å²	72.6	22%	0.218	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-53.1	-171.8	-176.2	0	0	0	0	110.9	Y44 L89	Y44-V48 WeakPolarHBondContact O-CA 3.21Å; Y44-V48 WeakPolarHBondContact O-CB 3.38Å; Y44-V48 PolarHBondContact O-N 3.08Å; V48-L89 WeakPolarHBondContact CG1-O 3.2Å
49	Q	98.3	Very high	97.3	Very high	11 Å²	11	78.1 Å²	78.1	5%	0.051	42%	0.419	C	S	.	.			trans	-76	140.2	-175.7	-58.3	-54.2	-42.3	0	0	111.7	Y44 I52 L89 E92	Y44-Q49 HydrophobicContact CD2-CG 3.88Å; Y44-Q49 HydrophobicContact CE2-CG 4.45Å; Y44-Q49 PolarHBondContact O-N 3.35Å; Q49-I52 HydrophobicContact CB-CB 4.11Å; Q49-I52 HydrophobicContact CG-CB 4.19Å; Q49-L89 HydrophobicContact CG-CB 4.46Å; Q49-L89 HydrophobicContact CG-CD2 4.5Å; Q49-L89 PolarHBondContact NE2-O 3.49Å; Q49-E92 PolarHBondContact NE2-O 3.22Å
50	R	96.5	Very high	97.5	Very high	228 Å²	228	75.6 Å²	75.6	86%	0.86	40%	0.397	S	S	*	.	S	Bend	trans	-112.4	-37.7	178.3	-59.7	-178.4	-175.2	179.7	0.7	112.6
51	E	97.3	Very high	97.6	Very high	87 Å²	87	73.2 Å²	73.2	41%	0.407	38%	0.382	S	S	.	.	S	Bend	trans	-106	-29.6	-178.9	-65.6	-178	-157.7	0	0	113	K95 K96	E51-K95 WeakPolarHBondContact OE2-CA 3.36Å; E51-K96 HydrophobicContact CB-CB 4.42Å; E51-K96 PolarHBondContact OE2-N 2.9Å
52	I	97.9	Very high	97.7	Very high	4 Å²	4	73 Å²	73	2%	0.021	38%	0.379	C	S	.	.			trans	-80.1	128.9	-176.2	-46.6	-55.7	0	0	0	109.6	F45 Q49 M56 L94 K96 L99	F45-I52 WeakPolarHBondContact CD1-O 3.31Å; F45-I52 HydrophobicContact CE1-CG2 4.11Å; Q49-I52 HydrophobicContact CB-CB 4.11Å; Q49-I52 HydrophobicContact CG-CB 4.19Å; I52-M56 HydrophobicContact CG2-CB 4.48Å; I52-L94 HydrophobicContact CG1-CB 4.24Å; I52-L94 WeakPolarHBondContact CG1-O 3.49Å; I52-K96 VanDerWaalsContact CD1-CA 3.48Å; I52-K96 HydrophobicContact CD1-CB 4.14Å; I52-L99 HydrophobicContact CD1-CB 4.31Å; I52-L99 HydrophobicContact CD1-CD1 4.37Å; I52-L99 HydrophobicContact CD1-CD2 4.4Å; I52-L99 HydrophobicContact CG2-CD1 4.27Å; I52-L99 HydrophobicContact CG2-CD2 4.08Å
53	V	97.6	Very high	97.8	Very high	68 Å²	68	67.6 Å²	67.6	41%	0.412	34%	0.342	S	S	.	.			trans	-119.1	159.8	176.2	-66	0	0	0	0	110.7	F45 S55 M56 R57	F45-V53 VanDerWaalsContact CE1-C 3.44Å; V53-S55 WeakPolarHBondContact CG2-OG 3.5Å; V53-S55 PolarHBondContact O-N 3.2Å; V53-S55 VanDerWaalsContact O-N 3.14Å; V53-M56 HydrophobicContact CG2-CB 4.35Å; V53-M56 HydrophobicContact CG2-CG 3.77Å; V53-M56 HydrophobicContact CG2-SD 3.97Å; V53-M56 WeakPolarHBondContact O-CB 3.3Å; V53-M56 PolarHBondContact O-N 2.94Å; V53-R57 PolarHBondContact O-N 3.48Å
54	P	97.8	Very high	97.9	Very high	79 Å²	79	65 Å²	65	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-54.9	-34.6	-176.9	-29.3	36	0	0	0	114.8	F45 M56 R57 K58	F45-P54 HydrophobicContact CD1-CG 4.17Å; F45-P54 HydrophobicContact CD2-CG 3.97Å; F45-P54 HydrophobicContact CE1-CG 4.17Å; F45-P54 HydrophobicContact CE2-CB 4.32Å; F45-P54 HydrophobicContact CE2-CG 3.97Å; F45-P54 HydrophobicContact CG-CG 4.07Å; F45-P54 HydrophobicContact CZ-CB 4.2Å; F45-P54 HydrophobicContact CZ-CG 4.06Å; P54-M56 VanDerWaalsContact C-N 3.32Å; P54-M56 PolarHBondContact O-N 3.34Å; P54-R57 WeakPolarHBondContact O-CB 3.31Å; P54-R57 PolarHBondContact O-N 3.1Å; P54-K58 PolarHBondContact O-N 3.28Å
55	S	97.8	Very high	97.9	Very high	73 Å²	73	65.9 Å²	65.9	51%	0.51	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-35	176.6	54.6	0	0	0	0	113	V53 K58 I59	V53-S55 WeakPolarHBondContact CG2-OG 3.5Å; V53-S55 PolarHBondContact O-N 3.2Å; V53-S55 VanDerWaalsContact O-N 3.14Å; S55-K58 PolarHBondContact O-N 3.08Å; S55-I59 VanDerWaalsContact O-CG1 3.29Å; S55-I59 WeakPolarHBondContact O-CG1 3.31Å; S55-I59 PolarHBondContact O-N 3.13Å
56	M	98.1	Very high	97.9	Very high	57 Å²	57	68.4 Å²	68.4	28%	0.281	34%	0.341	S	S	.	.	H	α-helix	trans	-70.1	-40.3	175.4	-68.4	176.2	151.1	0	0	111.7	I52 V53 P54 K58 I59 V60 K96 L99	I52-M56 HydrophobicContact CG2-CB 4.48Å; V53-M56 HydrophobicContact CG2-CB 4.35Å; V53-M56 HydrophobicContact CG2-CG 3.77Å; V53-M56 HydrophobicContact CG2-SD 3.97Å; V53-M56 WeakPolarHBondContact O-CB 3.3Å; V53-M56 PolarHBondContact O-N 2.94Å; P54-M56 VanDerWaalsContact C-N 3.32Å; P54-M56 PolarHBondContact O-N 3.34Å; M56-K58 VanDerWaalsContact C-N 3.31Å; M56-K58 PolarHBondContact O-N 3.34Å; M56-I59 PolarHBondContact O-N 2.82Å; M56-V60 PolarHBondContact O-N 2.72Å; M56-V60 VanDerWaalsContact O-N 3.08Å; M56-K96 HydrophobicContact CE-CB 3.84Å; M56-K96 HydrophobicContact CE-CD 3.87Å; M56-K96 HydrophobicContact CE-CG 4.45Å; M56-K96 HydrophobicContact SD-CB 4.04Å; M56-L99 HydrophobicContact CB-CD2 3.83Å
57	R	98.1	Very high	98	Very high	37 Å²	37	59.6 Å²	59.6	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-48.4	172.1	-178.3	-154.6	177.3	-92.5	3.3	110	Y44 F45 V53 P54 I59 V60 A61 M82 L85 D86 A190 T191	Y44-R57 WeakPolarHBondContact OH-CD 3.46Å; F45-R57 HydrophobicContact CE1-CB 4.44Å; F45-R57 HydrophobicContact CZ-CB 3.88Å; F45-R57 HydrophobicContact CZ-CG 4.38Å; V53-R57 PolarHBondContact O-N 3.48Å; P54-R57 WeakPolarHBondContact O-CB 3.31Å; P54-R57 PolarHBondContact O-N 3.1Å; R57-I59 PolarHBondContact O-N 3.48Å; R57-V60 PolarHBondContact O-N 3.22Å; R57-A61 VanDerWaalsContact O-CB 3.31Å; R57-A61 WeakPolarHBondContact O-CB 3.48Å; R57-A61 PolarHBondContact O-N 3Å; R57-M82 HydrophobicContact CG-CE 4.46Å; R57-L85 HydrophobicContact CG-CD2 4.11Å; R57-D86 IonicContact CZ-OD1 3.62Å; R57-D86 IonicContact CZ-OD2 3.7Å; R57-D86 IonicContact NE-OD1 2.85Å; R57-D86 PolarHBondContact NE-OD1 3.06Å; R57-D86 IonicContact NE-OD2 2.65Å; R57-D86 PolarHBondContact NE-OD2 3.4Å; R57-D86 IonicContact NH2-OD1 3.54Å; R57-D86 IonicContact NH2-OD2 3.18Å; R57-D86 PolarHBondContact NH2-OD2 3.07Å; R57-A190 PolarHBondContact NH1-O 2.98Å; R57-A190 PolarHBondContact NH2-O 2.9Å; R57-A190 VanDerWaalsContact NH2-O 3.1Å; R57-T191 PolarHBondContact NH1-O 3.22Å
58	K	98.1	Very high	98	Very high	122 Å²	122	55.8 Å²	55.8	53%	0.53	28%	0.277	S	S	.	.	H	α-helix	trans	-57.8	-46.8	178.4	-177.1	171.8	-176.9	168.3	0	112.3	P54 S55 M56 V60 A61 T62	P54-K58 PolarHBondContact O-N 3.28Å; S55-K58 PolarHBondContact O-N 3.08Å; M56-K58 VanDerWaalsContact C-N 3.31Å; M56-K58 PolarHBondContact O-N 3.34Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-V60 PolarHBondContact O-N 3.32Å; K58-A61 PolarHBondContact O-N 2.91Å; K58-T62 PolarHBondContact O-N 3.37Å; K58-T62 PolarHBondContact O-OG1 2.81Å; K58-T62 VanDerWaalsContact O-OG1 3.06Å
59	I	98.3	Very high	98	Very high	119 Å²	119	60.2 Å²	60.2	61%	0.61	30%	0.296	S	S	*	.	H	α-helix	trans	-57.8	-47.6	178	-69.7	162.7	0	0	0	111.1	S55 M56 R57 T62 W63	S55-I59 VanDerWaalsContact O-CG1 3.29Å; S55-I59 WeakPolarHBondContact O-CG1 3.31Å; S55-I59 PolarHBondContact O-N 3.13Å; M56-I59 PolarHBondContact O-N 2.82Å; R57-I59 PolarHBondContact O-N 3.48Å; I59-T62 PolarHBondContact O-N 3.31Å; I59-W63 PolarHBondContact O-N 2.91Å; I59-W63 VanDerWaalsContact O-N 3.07Å
60	V	98.3	Very high	98	Very high	14 Å²	14	65.9 Å²	65.9	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-69.7	-36.6	179.6	171.5	0	0	0	0	111.8	M56 R57 K58 W63 M64 L85 L99	M56-V60 PolarHBondContact O-N 2.72Å; M56-V60 VanDerWaalsContact O-N 3.08Å; R57-V60 PolarHBondContact O-N 3.22Å; K58-V60 VanDerWaalsContact C-N 3.35Å; K58-V60 PolarHBondContact O-N 3.32Å; V60-W63 HydrophobicContact CG1-CE3 4.23Å; V60-W63 PolarHBondContact O-N 3.39Å; V60-M64 HydrophobicContact CG1-CG 4.29Å; V60-M64 HydrophobicContact CG1-SD 3.83Å; V60-M64 WeakPolarHBondContact O-CB 3.23Å; V60-M64 WeakPolarHBondContact O-CG 3.47Å; V60-M64 PolarHBondContact O-N 3.39Å; V60-L85 HydrophobicContact CG1-CD1 4.21Å; V60-L99 HydrophobicContact CB-CD2 4.3Å; V60-L99 HydrophobicContact CB-CG 4.35Å; V60-L99 HydrophobicContact CG2-CB 4.44Å; V60-L99 HydrophobicContact CG2-CD2 3.72Å; V60-L99 HydrophobicContact CG2-CG 3.83Å
61	A	98.6	Very high	98	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-42.4	176	0	0	0	0	0	112	R57 K58 M64 L65 F78 M82 T191	R57-A61 VanDerWaalsContact O-CB 3.31Å; R57-A61 WeakPolarHBondContact O-CB 3.48Å; R57-A61 PolarHBondContact O-N 3Å; K58-A61 PolarHBondContact O-N 2.91Å; A61-M64 PolarHBondContact O-N 2.98Å; A61-L65 PolarHBondContact O-N 3.46Å; A61-F78 VanDerWaalsContact O-CE2 3.27Å; A61-F78 WeakPolarHBondContact O-CE2 3.26Å; A61-M82 HydrophobicContact CB-CE 3.57Å; A61-M82 HydrophobicContact CB-SD 3.72Å; A61-T191 HydrophobicContact CB-CG2 4.3Å
62	T	98.4	Very high	97.9	Very high	50 Å²	50	62.1 Å²	62.1	31%	0.307	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-46.7	174.4	-60	0	0	0	0	111.2	K58 I59 M64 L65 E66	K58-T62 PolarHBondContact O-N 3.37Å; K58-T62 PolarHBondContact O-OG1 2.81Å; K58-T62 VanDerWaalsContact O-OG1 3.06Å; I59-T62 PolarHBondContact O-N 3.31Å; T62-M64 VanDerWaalsContact C-N 3.35Å; T62-M64 PolarHBondContact O-N 3.48Å; T62-L65 WeakPolarHBondContact O-CB 3.27Å; T62-L65 PolarHBondContact O-N 2.8Å; T62-E66 WeakPolarHBondContact O-CG 3.29Å; T62-E66 PolarHBondContact O-N 3.26Å
63	W	98.4	Very high	97.8	Very high	35 Å²	35	62.6 Å²	62.6	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-43.5	174.2	166.4	75.7	0	0	0	112.3	I59 V60 L65 E66 V67 Q100 A104 M107 Y127 T128	I59-W63 PolarHBondContact O-N 2.91Å; I59-W63 VanDerWaalsContact O-N 3.07Å; V60-W63 HydrophobicContact CG1-CE3 4.23Å; V60-W63 PolarHBondContact O-N 3.39Å; W63-L65 VanDerWaalsContact C-N 3.32Å; W63-L65 PolarHBondContact O-N 3.32Å; W63-E66 PolarHBondContact O-N 3.15Å; W63-V67 HydrophobicContact CD2-CG2 4.41Å; W63-V67 HydrophobicContact CZ2-CG2 4.06Å; W63-V67 WeakPolarHBondContact O-CG2 3.4Å; W63-V67 PolarHBondContact O-N 2.93Å; W63-Q100 HydrophobicContact CE3-CG 4.31Å; W63-Q100 HydrophobicContact CH2-CG 4.1Å; W63-Q100 HydrophobicContact CZ2-CG 4.35Å; W63-Q100 HydrophobicContact CZ3-CG 4.07Å; W63-A104 HydrophobicContact CH2-CB 3.93Å; W63-M107 HydrophobicContact CE3-CE 4.26Å; W63-M107 HydrophobicContact CH2-CE 3.33Å; W63-M107 HydrophobicContact CZ2-CE 4.01Å; W63-M107 HydrophobicContact CZ3-CE 3.48Å; W63-M107 VanDerWaalsContact CZ3-CE 3.48Å; W63-Y127 PolarHBondContact NE1-O 3.37Å; W63-Y127 VanDerWaalsContact NE1-O 3.13Å; W63-T128 HydrophobicContact CH2-CG2 4.06Å; W63-T128 HydrophobicContact CZ2-CG2 3.8Å
64	M	98.8	Very high	97.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-41.7	176.4	-74.1	166.8	63.9	0	0	111.8	V60 A61 T62 V67 C68 F78 A81 M82 L85 C106 M107	V60-M64 HydrophobicContact CG1-CG 4.29Å; V60-M64 HydrophobicContact CG1-SD 3.83Å; V60-M64 WeakPolarHBondContact O-CB 3.23Å; V60-M64 WeakPolarHBondContact O-CG 3.47Å; V60-M64 PolarHBondContact O-N 3.39Å; A61-M64 PolarHBondContact O-N 2.98Å; T62-M64 VanDerWaalsContact C-N 3.35Å; T62-M64 PolarHBondContact O-N 3.48Å; M64-V67 PolarHBondContact O-N 3.17Å; M64-C68 PolarHBondContact O-N 2.92Å; M64-C68 PolarHBondContact O-SG 3.22Å; M64-F78 HydrophobicContact CB-CD2 4.06Å; M64-F78 HydrophobicContact CB-CE2 3.89Å; M64-A81 HydrophobicContact CE-CB 3.54Å; M64-M82 HydrophobicContact CE-CG 4.47Å; M64-M82 HydrophobicContact CE-SD 3.69Å; M64-M82 HydrophobicContact SD-SD 3.88Å; M64-L85 HydrophobicContact SD-CD1 3.85Å; M64-C106 HydrophobicContact CE-CB 4.31Å; M64-M107 HydrophobicContact CB-CE 4.32Å; M64-M107 HydrophobicContact CB-CG 4.3Å; M64-M107 HydrophobicContact CB-SD 3.72Å; M64-M107 HydrophobicContact CE-CG 3.91Å; M64-M107 HydrophobicContact CG-CE 3.85Å; M64-M107 HydrophobicContact CG-CG 4.09Å; M64-M107 HydrophobicContact CG-SD 3.8Å
65	L	98.3	Very high	97.5	Very high	31 Å²	31	62.8 Å²	62.8	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-48.5	176.4	177.9	60.4	0	0	0	111.1	A61 T62 W63 V67 C68 E69 F78 A187 T191	A61-L65 PolarHBondContact O-N 3.46Å; T62-L65 WeakPolarHBondContact O-CB 3.27Å; T62-L65 PolarHBondContact O-N 2.8Å; W63-L65 VanDerWaalsContact C-N 3.32Å; W63-L65 PolarHBondContact O-N 3.32Å; L65-V67 VanDerWaalsContact C-N 3.31Å; L65-V67 PolarHBondContact O-N 3.02Å; L65-C68 PolarHBondContact O-N 3.31Å; L65-C68 VanDerWaalsContact O-N 3.15Å; L65-E69 HydrophobicContact CD1-CG 4.17Å; L65-E69 HydrophobicContact CG-CG 4.46Å; L65-E69 WeakPolarHBondContact O-CG 3.01Å; L65-E69 PolarHBondContact O-N 2.95Å; L65-F78 HydrophobicContact CB-CD2 4.16Å; L65-F78 HydrophobicContact CB-CE1 4.22Å; L65-F78 HydrophobicContact CB-CE2 3.85Å; L65-F78 HydrophobicContact CB-CZ 3.89Å; L65-F78 HydrophobicContact CD1-CD1 3.82Å; L65-F78 HydrophobicContact CD1-CE1 4.04Å; L65-F78 HydrophobicContact CD1-CG 4.11Å; L65-A187 HydrophobicContact CD1-CB 4.03Å; L65-A187 HydrophobicContact CD2-CB 4.26Å; L65-T191 HydrophobicContact CB-CG2 4.43Å; L65-T191 HydrophobicContact CD2-CG2 3.94Å
66	E	98.3	Very high	97.4	Very high	108 Å²	108	61.9 Å²	61.9	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-56.8	-43.7	177.6	-70.1	167.3	176.2	0	0	111.7	T62 W63 E69 E70	T62-E66 WeakPolarHBondContact O-CG 3.29Å; T62-E66 PolarHBondContact O-N 3.26Å; W63-E66 PolarHBondContact O-N 3.15Å; E66-E69 PolarHBondContact O-N 3.27Å; E66-E70 WeakPolarHBondContact O-CB 3.34Å; E66-E70 PolarHBondContact O-N 3.27Å
67	V	98.3	Very high	97.4	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-44.9	176.5	173.1	0	0	0	0	111.6	W63 M64 L65 E70 Q71 M107 L124 Y127	W63-V67 HydrophobicContact CD2-CG2 4.41Å; W63-V67 HydrophobicContact CZ2-CG2 4.06Å; W63-V67 WeakPolarHBondContact O-CG2 3.4Å; W63-V67 PolarHBondContact O-N 2.93Å; M64-V67 PolarHBondContact O-N 3.17Å; L65-V67 VanDerWaalsContact C-N 3.31Å; L65-V67 PolarHBondContact O-N 3.02Å; V67-E70 PolarHBondContact O-N 3.43Å; V67-Q71 WeakPolarHBondContact O-CB 3.4Å; V67-Q71 PolarHBondContact O-N 2.88Å; V67-M107 HydrophobicContact CB-CE 4.2Å; V67-M107 HydrophobicContact CB-SD 4.07Å; V67-M107 HydrophobicContact CG1-CE 4.07Å; V67-M107 HydrophobicContact CG1-SD 4.05Å; V67-M107 HydrophobicContact CG2-CE 4.44Å; V67-L124 HydrophobicContact CG1-CD2 4.32Å; V67-Y127 HydrophobicContact CB-CG 4.46Å; V67-Y127 HydrophobicContact CG1-CD1 4.39Å; V67-Y127 HydrophobicContact CG1-CD2 3.73Å; V67-Y127 HydrophobicContact CG1-CE2 4.08Å; V67-Y127 HydrophobicContact CG1-CG 3.92Å; V67-Y127 HydrophobicContact CG2-CD1 3.74Å; V67-Y127 HydrophobicContact CG2-CD2 4.43Å; V67-Y127 HydrophobicContact CG2-CE1 4.43Å; V67-Y127 HydrophobicContact CG2-CG 3.76Å
68	C	98	Very high	97.4	Very high	9 Å²	9	57.8 Å²	57.8	6%	0.061	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-40.2	177.5	-74.3	0	0	0	0	112.1	M64 L65 K72 C73 F78	M64-C68 PolarHBondContact O-N 2.92Å; M64-C68 PolarHBondContact O-SG 3.22Å; L65-C68 PolarHBondContact O-N 3.31Å; L65-C68 VanDerWaalsContact O-N 3.15Å; C68-K72 PolarHBondContact O-N 2.93Å; C68-C73 HydrophobicContact CB-CB 4.13Å; C68-C73 PolarHBondContact O-N 3.11Å; C68-F78 HydrophobicContact CB-CB 4.24Å
69	E	96.6	Very high	97.4	Very high	130 Å²	130	52.6 Å²	52.6	61%	0.607	25%	0.253	S	S	*	.	H	α-helix	trans	-66.2	-44.2	176.4	-72.7	-177.3	156.4	0	0	111.7	L65 E66 Q71 K72	L65-E69 HydrophobicContact CD1-CG 4.17Å; L65-E69 HydrophobicContact CG-CG 4.46Å; L65-E69 WeakPolarHBondContact O-CG 3.01Å; L65-E69 PolarHBondContact O-N 2.95Å; E66-E69 PolarHBondContact O-N 3.27Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.38Å; E69-K72 PolarHBondContact O-N 2.93Å; E69-K72 VanDerWaalsContact O-N 3.1Å
70	E	97.6	Very high	97.4	Very high	129 Å²	129	47.1 Å²	47.1	60%	0.603	23%	0.225	S	C	*	.	H	α-helix	trans	-65.8	-37.9	-180	-164.7	-176.7	140.4	0	0	112	E66 V67 K72 Y127	E66-E70 WeakPolarHBondContact O-CB 3.34Å; E66-E70 PolarHBondContact O-N 3.27Å; V67-E70 PolarHBondContact O-N 3.43Å; E70-K72 VanDerWaalsContact C-N 3.27Å; E70-Y127 WeakPolarHBondContact CG-OH 3.42Å; E70-Y127 PolarHBondContact OE1-OH 2.67Å; E70-Y127 WeakPolarHBondContact OE2-CE1 3.39Å
71	Q	96.8	Very high	97.4	Very high	52 Å²	52	46.4 Å²	46.4	24%	0.243	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.5	174.5	-69.6	-57.3	-68.1	0	0	114.1	V67 E69 C73 L119 K123 Y127	V67-Q71 WeakPolarHBondContact O-CB 3.4Å; V67-Q71 PolarHBondContact O-N 2.88Å; E69-Q71 VanDerWaalsContact C-N 3.34Å; E69-Q71 PolarHBondContact O-N 3.38Å; Q71-C73 PolarHBondContact O-N 2.92Å; Q71-L119 HydrophobicContact CB-CD2 3.74Å; Q71-L119 HydrophobicContact CG-CD2 3.7Å; Q71-K123 VanDerWaalsContact CD-CD 3.5Å; Q71-K123 HydrophobicContact CG-CD 4.28Å; Q71-Y127 HydrophobicContact CG-CE2 3.71Å; Q71-Y127 PolarHBondContact NE2-OH 3.36Å
72	K	96.1	Very high	97.4	Very high	184 Å²	184	46.6 Å²	46.6	80%	0.8	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.4	-177.1	-54.4	177.2	-178.4	177.1	0	111.6	C68 E69 E70	C68-K72 PolarHBondContact O-N 2.93Å; E69-K72 PolarHBondContact O-N 2.93Å; E69-K72 VanDerWaalsContact O-N 3.1Å; E70-K72 VanDerWaalsContact C-N 3.27Å
73	C	96.2	Very high	97.4	Very high	15 Å²	15	45.6 Å²	45.6	10%	0.101	21%	0.214	C	C	.	.			trans	-60	156.3	177.6	-73.4	0	0	0	0	111.1	C68 Q71 V77 E115	C68-C73 HydrophobicContact CB-CB 4.13Å; C68-C73 PolarHBondContact O-N 3.11Å; Q71-C73 PolarHBondContact O-N 2.92Å; C73-V77 HydrophobicContact CB-CB 4.05Å; C73-V77 HydrophobicContact CB-CG1 4.3Å; C73-V77 HydrophobicContact CB-CG2 4.1Å; C73-E115 VanDerWaalsContact CA-OE1 3.3Å; C73-E115 WeakPolarHBondContact CA-OE1 3.31Å
74	E	94.5	Very high	97.5	Very high	51 Å²	51	44 Å²	44	24%	0.238	21%	0.208	C	C	.	.			trans	-58.6	142	168.4	-64.3	-70.8	178.3	0	0	110.1	R15 E76 V77 E115	R15-E74 IonicContact CZ-OE1 3.65Å; R15-E74 IonicContact NE-OE1 3.97Å; R15-E74 IonicContact NH2-OE1 2.86Å; R15-E74 PolarHBondContact NH2-OE1 3.46Å; R15-E74 IonicContact NH2-OE2 3.86Å; R15-E74 PolarHBondContact NH2-OE2 3.29Å; E74-E76 PolarHBondContact O-N 3.44Å; E74-V77 HydrophobicContact CB-CG2 4.31Å; E74-V77 WeakPolarHBondContact O-CB 3.4Å; E74-V77 VanDerWaalsContact O-CG2 3.32Å; E74-V77 WeakPolarHBondContact O-CG2 3.32Å; E74-V77 PolarHBondContact O-N 2.85Å; E74-E115 HydrophobicContact CB-CG 4.44Å; E74-E115 HydrophobicContact CG-CG 4.31Å
75	E	93.9	Very high	97.5	Very high	100 Å²	100	44 Å²	44	47%	0.467	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.2	-167.7	-61.5	-76.2	170.5	0	0	112.7	P79 H158	E75-P79 WeakPolarHBondContact O-CD 3.48Å; E75-H158 PolarHBondContact O-CE1 3.44Å
76	E	95.7	Very high	97.5	Very high	53 Å²	53	43.4 Å²	43.4	25%	0.248	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-19.9	176.8	-59.6	98.1	134.2	0	0	114.4	E74 F78 L80 K114 T156 H158	E74-E76 PolarHBondContact O-N 3.44Å; E76-F78 PolarHBondContact O-N 3.3Å; E76-L80 WeakPolarHBondContact O-CB 3.38Å; E76-L80 PolarHBondContact O-N 2.95Å; E76-L80 VanDerWaalsContact O-N 3.08Å; E76-K114 HydrophobicContact CB-CB 4.49Å; E76-K114 HydrophobicContact CB-CD 3.84Å; E76-K114 HydrophobicContact CB-CG 3.96Å; E76-K114 HydrophobicContact CG-CD 4.46Å; E76-T156 HydrophobicContact CB-CG2 4.46Å; E76-H158 HydrophobicContact CG-CB 3.67Å
77	V	98	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-49.1	-174.6	174.5	0	0	0	0	110.8	C73 E74 L80 A81 A110 K114 E115	C73-V77 HydrophobicContact CB-CB 4.05Å; C73-V77 HydrophobicContact CB-CG1 4.3Å; C73-V77 HydrophobicContact CB-CG2 4.1Å; E74-V77 HydrophobicContact CB-CG2 4.31Å; E74-V77 WeakPolarHBondContact O-CB 3.4Å; E74-V77 VanDerWaalsContact O-CG2 3.32Å; E74-V77 WeakPolarHBondContact O-CG2 3.32Å; E74-V77 PolarHBondContact O-N 2.85Å; V77-L80 PolarHBondContact O-N 3.36Å; V77-A81 VanDerWaalsContact O-CB 3.3Å; V77-A81 WeakPolarHBondContact O-CB 3.37Å; V77-A81 PolarHBondContact O-N 3.31Å; V77-A110 HydrophobicContact CG1-CB 4.06Å; V77-A110 WeakPolarHBondContact O-CB 3.43Å; V77-K114 HydrophobicContact CG2-CB 3.94Å; V77-E115 HydrophobicContact CG2-CG 3.61Å
78	F	98.4	Very high	97.5	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.035	19%	0.185	C	C	.	.	H	α-helix	trans	-65.9	-51.9	-176.7	170	-110.1	0	0	0	113	A61 M64 L65 C68 E76 L80 A81 M82 A187 A190 T191	A61-F78 VanDerWaalsContact O-CE2 3.27Å; A61-F78 WeakPolarHBondContact O-CE2 3.26Å; M64-F78 HydrophobicContact CB-CD2 4.06Å; M64-F78 HydrophobicContact CB-CE2 3.89Å; L65-F78 HydrophobicContact CB-CD2 4.16Å; L65-F78 HydrophobicContact CB-CE1 4.22Å; L65-F78 HydrophobicContact CB-CE2 3.85Å; L65-F78 HydrophobicContact CB-CZ 3.89Å; L65-F78 HydrophobicContact CD1-CD1 3.82Å; L65-F78 HydrophobicContact CD1-CE1 4.04Å; L65-F78 HydrophobicContact CD1-CG 4.11Å; C68-F78 HydrophobicContact CB-CB 4.24Å; E76-F78 PolarHBondContact O-N 3.3Å; F78-L80 VanDerWaalsContact C-N 3.28Å; F78-L80 PolarHBondContact O-N 3.28Å; F78-A81 PolarHBondContact O-N 2.99Å; F78-M82 HydrophobicContact CD2-CG 4.15Å; F78-M82 HydrophobicContact CE1-CG 4.36Å; F78-M82 HydrophobicContact CE2-CG 3.59Å; F78-M82 HydrophobicContact CE2-SD 3.93Å; F78-M82 HydrophobicContact CZ-CG 3.72Å; F78-M82 HydrophobicContact CZ-SD 4.31Å; F78-M82 WeakPolarHBondContact O-CG 3.3Å; F78-M82 PolarHBondContact O-N 3.17Å; F78-A187 HydrophobicContact CD1-CB 4.35Å; F78-A187 HydrophobicContact CE1-CB 4.26Å; F78-A190 HydrophobicContact CD1-CB 4.46Å; F78-A190 HydrophobicContact CE1-CB 3.66Å; F78-A190 HydrophobicContact CZ-CB 4.1Å; F78-T191 HydrophobicContact CE1-CG2 4.24Å; F78-T191 HydrophobicContact CZ-CG2 3.75Å
79	P	98.3	Very high	97.5	Very high	14 Å²	14	38.8 Å²	38.8	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-36.1	177.1	-25	35.7	0	0	0	113.2	E75 M82 N83 V186	E75-P79 WeakPolarHBondContact O-CD 3.48Å; P79-M82 PolarHBondContact O-N 3.07Å; P79-N83 PolarHBondContact O-N 3.27Å; P79-V186 HydrophobicContact CB-CG1 4.27Å; P79-V186 HydrophobicContact CG-CG1 3.69Å
80	L	98.5	Very high	97.6	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-67.4	-42.3	176.3	-175.8	60	0	0	0	111.5	E76 V77 F78 M82 N83 Y84 A110 M113 K114 A154 T156	E76-L80 WeakPolarHBondContact O-CB 3.38Å; E76-L80 PolarHBondContact O-N 2.95Å; E76-L80 VanDerWaalsContact O-N 3.08Å; V77-L80 PolarHBondContact O-N 3.36Å; F78-L80 VanDerWaalsContact C-N 3.28Å; F78-L80 PolarHBondContact O-N 3.28Å; L80-M82 VanDerWaalsContact C-N 3.3Å; L80-M82 PolarHBondContact O-N 3.29Å; L80-N83 WeakPolarHBondContact O-CB 3.49Å; L80-N83 PolarHBondContact O-N 2.88Å; L80-Y84 HydrophobicContact CD1-CD1 4.44Å; L80-Y84 HydrophobicContact CD1-CE1 3.66Å; L80-Y84 HydrophobicContact CD1-CE2 4.43Å; L80-Y84 HydrophobicContact CD2-CE2 4.38Å; L80-Y84 WeakPolarHBondContact CD2-OH 3.49Å; L80-Y84 HydrophobicContact CG-CE1 4.05Å; L80-Y84 HydrophobicContact CG-CE2 3.89Å; L80-Y84 PolarHBondContact O-N 3.36Å; L80-A110 HydrophobicContact CB-CB 4.15Å; L80-A110 HydrophobicContact CD2-CB 4.18Å; L80-A110 HydrophobicContact CG-CB 4.11Å; L80-M113 HydrophobicContact CD2-CB 4.04Å; L80-K114 HydrophobicContact CD2-CD 4.42Å; L80-K114 HydrophobicContact CD2-CG 3.67Å; L80-A154 HydrophobicContact CD1-CB 3.88Å; L80-T156 HydrophobicContact CB-CG2 4Å; L80-T156 HydrophobicContact CD1-CG2 4.29Å
81	A	98.8	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-40	173.9	0	0	0	0	0	111.6	M64 V77 F78 Y84 L85 C106 M107 A110	M64-A81 HydrophobicContact CE-CB 3.54Å; V77-A81 VanDerWaalsContact O-CB 3.3Å; V77-A81 WeakPolarHBondContact O-CB 3.37Å; V77-A81 PolarHBondContact O-N 3.31Å; F78-A81 PolarHBondContact O-N 2.99Å; A81-Y84 PolarHBondContact O-N 3.15Å; A81-L85 WeakPolarHBondContact O-CB 3.49Å; A81-L85 PolarHBondContact O-N 2.96Å; A81-C106 HydrophobicContact CB-CB 4.06Å; A81-C106 WeakPolarHBondContact O-CB 3.45Å; A81-M107 HydrophobicContact CB-CG 4.11Å; A81-A110 HydrophobicContact CB-CB 3.88Å
82	M	98.7	Very high	97.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.02	16%	0.156	C	C	.	.	H	α-helix	trans	-65.6	-39.1	174.5	-70.3	-52.5	-59.2	0	0	112.5	R57 A61 M64 F78 P79 L80 Y84 L85 D86 A190	R57-M82 HydrophobicContact CG-CE 4.46Å; A61-M82 HydrophobicContact CB-CE 3.57Å; A61-M82 HydrophobicContact CB-SD 3.72Å; M64-M82 HydrophobicContact CE-CG 4.47Å; M64-M82 HydrophobicContact CE-SD 3.69Å; M64-M82 HydrophobicContact SD-SD 3.88Å; F78-M82 HydrophobicContact CD2-CG 4.15Å; F78-M82 HydrophobicContact CE1-CG 4.36Å; F78-M82 HydrophobicContact CE2-CG 3.59Å; F78-M82 HydrophobicContact CE2-SD 3.93Å; F78-M82 HydrophobicContact CZ-CG 3.72Å; F78-M82 HydrophobicContact CZ-SD 4.31Å; F78-M82 WeakPolarHBondContact O-CG 3.3Å; F78-M82 PolarHBondContact O-N 3.17Å; P79-M82 PolarHBondContact O-N 3.07Å; L80-M82 VanDerWaalsContact C-N 3.3Å; L80-M82 PolarHBondContact O-N 3.29Å; M82-Y84 VanDerWaalsContact C-N 3.32Å; M82-Y84 PolarHBondContact O-N 2.88Å; M82-L85 HydrophobicContact CE-CD2 4.18Å; M82-L85 PolarHBondContact O-N 3.42Å; M82-D86 PolarHBondContact O-N 3.09Å; M82-A190 HydrophobicContact CB-CB 4.38Å; M82-A190 HydrophobicContact CG-CB 4.15Å
83	N	98.5	Very high	97.8	Very high	29 Å²	29	27 Å²	27	16%	0.155	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-45	171.6	-180	-94.3	0	0	0	111.5	C38 P79 L80 R87 A154	C38-N83 PolarHBondContact O-ND2 2.86Å; P79-N83 PolarHBondContact O-N 3.27Å; L80-N83 WeakPolarHBondContact O-CB 3.49Å; L80-N83 PolarHBondContact O-N 2.88Å; N83-R87 VanDerWaalsContact O-CB 3.31Å; N83-R87 WeakPolarHBondContact O-CB 3.44Å; N83-R87 WeakPolarHBondContact O-CD 3.45Å; N83-R87 WeakPolarHBondContact O-CG 3.5Å; N83-R87 PolarHBondContact O-N 3.49Å; N83-R87 WeakPolarHBondContact OD1-CD 3.37Å; N83-R87 PolarHBondContact OD1-NH1 3.32Å; N83-A154 WeakPolarHBondContact OD1-CB 3.32Å
84	Y	98.8	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.1	-44.1	176.7	-61.6	-21.4	0	0	0	112.5	L80 A81 M82 R87 F88 V109 A110 L148 L152	L80-Y84 HydrophobicContact CD1-CD1 4.44Å; L80-Y84 HydrophobicContact CD1-CE1 3.66Å; L80-Y84 HydrophobicContact CD1-CE2 4.43Å; L80-Y84 HydrophobicContact CD2-CE2 4.38Å; L80-Y84 WeakPolarHBondContact CD2-OH 3.49Å; L80-Y84 HydrophobicContact CG-CE1 4.05Å; L80-Y84 HydrophobicContact CG-CE2 3.89Å; L80-Y84 PolarHBondContact O-N 3.36Å; A81-Y84 PolarHBondContact O-N 3.15Å; M82-Y84 VanDerWaalsContact C-N 3.32Å; M82-Y84 PolarHBondContact O-N 2.88Å; Y84-R87 PolarHBondContact O-N 2.89Å; Y84-F88 VanDerWaalsContact O-CB 3.3Å; Y84-F88 WeakPolarHBondContact O-CB 3.26Å; Y84-F88 PolarHBondContact O-N 2.85Å; Y84-V109 HydrophobicContact CD2-CB 4.33Å; Y84-V109 HydrophobicContact CD2-CG1 4.28Å; Y84-V109 HydrophobicContact CE2-CB 4.08Å; Y84-V109 HydrophobicContact CE2-CG1 3.7Å; Y84-A110 HydrophobicContact CD2-CB 4.37Å; Y84-A110 HydrophobicContact CE2-CB 3.96Å; Y84-L148 HydrophobicContact CD1-CD1 3.75Å; Y84-L148 HydrophobicContact CG-CD1 4.06Å; Y84-L152 HydrophobicContact CE1-CB 4.41Å; Y84-L152 HydrophobicContact CE1-CD2 4.12Å; Y84-L152 WeakPolarHBondContact OH-CB 3.32Å; Y84-L152 PolarHBondContact OH-O 2.89Å
85	L	98.8	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-52.4	178.8	-177.5	148	0	0	0	110.7	R57 V60 M64 A81 M82 R87 F88 L89 L102	R57-L85 HydrophobicContact CG-CD2 4.11Å; V60-L85 HydrophobicContact CG1-CD1 4.21Å; M64-L85 HydrophobicContact SD-CD1 3.85Å; A81-L85 WeakPolarHBondContact O-CB 3.49Å; A81-L85 PolarHBondContact O-N 2.96Å; M82-L85 HydrophobicContact CE-CD2 4.18Å; M82-L85 PolarHBondContact O-N 3.42Å; L85-R87 PolarHBondContact O-N 2.93Å; L85-F88 PolarHBondContact O-N 3.42Å; L85-L89 HydrophobicContact CD2-CD1 3.58Å; L85-L89 HydrophobicContact CD2-CG 4.39Å; L85-L89 HydrophobicContact CG-CD1 4.31Å; L85-L89 VanDerWaalsContact O-CG 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.49Å; L85-L102 HydrophobicContact CG-CD2 4.37Å
86	D	98.6	Very high	98.1	Very high	19 Å²	19	32.3 Å²	32.3	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-37.4	-177.6	-73	-39.7	0	0	0	112.2	P40 Y44 R57 M82 S90	P40-D86 HydrophobicContact CB-CB 3.73Å; P40-D86 HydrophobicContact CG-CB 3.99Å; Y44-D86 HydrophobicContact CE1-CB 4.07Å; Y44-D86 PolarHBondContact OH-OD1 3.05Å; R57-D86 IonicContact CZ-OD1 3.62Å; R57-D86 IonicContact CZ-OD2 3.7Å; R57-D86 IonicContact NE-OD1 2.85Å; R57-D86 PolarHBondContact NE-OD1 3.06Å; R57-D86 IonicContact NE-OD2 2.65Å; R57-D86 PolarHBondContact NE-OD2 3.4Å; R57-D86 IonicContact NH2-OD1 3.54Å; R57-D86 IonicContact NH2-OD2 3.18Å; R57-D86 PolarHBondContact NH2-OD2 3.07Å; M82-D86 PolarHBondContact O-N 3.09Å; D86-S90 WeakPolarHBondContact O-CB 3.38Å; D86-S90 PolarHBondContact O-N 2.72Å; D86-S90 PolarHBondContact O-OG 3.23Å
87	R	98.6	Very high	98.1	Very high	20 Å²	20	34.5 Å²	34.5	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-40.4	174.5	-73.5	168.7	67.3	-163.9	-4.5	112	C38 P40 N83 Y84 L85 S90 L91 L148 N151	C38-R87 VanDerWaalsContact O-CD 3.29Å; C38-R87 WeakPolarHBondContact O-CD 3.5Å; P40-R87 HydrophobicContact CB-CG 4.26Å; N83-R87 VanDerWaalsContact O-CB 3.31Å; N83-R87 WeakPolarHBondContact O-CB 3.44Å; N83-R87 WeakPolarHBondContact O-CD 3.45Å; N83-R87 WeakPolarHBondContact O-CG 3.5Å; N83-R87 PolarHBondContact O-N 3.49Å; N83-R87 WeakPolarHBondContact OD1-CD 3.37Å; N83-R87 PolarHBondContact OD1-NH1 3.32Å; Y84-R87 PolarHBondContact O-N 2.89Å; L85-R87 PolarHBondContact O-N 2.93Å; R87-S90 WeakPolarHBondContact O-CB 3.45Å; R87-S90 PolarHBondContact O-N 3.12Å; R87-L91 WeakPolarHBondContact O-CG 3.43Å; R87-L91 PolarHBondContact O-N 3.39Å; R87-L148 HydrophobicContact CB-CD2 3.59Å; R87-N151 PolarHBondContact NH1-O 3.27Å; R87-N151 PolarHBondContact NH2-O 3.32Å
88	F	98.7	Very high	98.1	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-46	176.3	-172.1	-85.4	0	0	0	111.1	Y84 L85 S90 L91 E92 L94 L102 M140 L143 L144 K147	Y84-F88 VanDerWaalsContact O-CB 3.3Å; Y84-F88 WeakPolarHBondContact O-CB 3.26Å; Y84-F88 PolarHBondContact O-N 2.85Å; L85-F88 PolarHBondContact O-N 3.42Å; F88-S90 PolarHBondContact O-N 3.29Å; F88-L91 PolarHBondContact O-N 3.47Å; F88-E92 HydrophobicContact CD1-CB 4.34Å; F88-E92 HydrophobicContact CE1-CB 3.78Å; F88-E92 HydrophobicContact CE1-CG 4.42Å; F88-E92 HydrophobicContact CE2-CG 4.45Å; F88-E92 HydrophobicContact CZ-CB 3.96Å; F88-E92 HydrophobicContact CZ-CG 4.12Å; F88-E92 PolarHBondContact O-N 3.17Å; F88-L94 HydrophobicContact CE1-CD1 4.23Å; F88-L102 HydrophobicContact CB-CD1 4.13Å; F88-L102 HydrophobicContact CB-CD2 4.33Å; F88-L102 HydrophobicContact CD1-CD1 3.77Å; F88-L102 HydrophobicContact CD1-CD2 3.59Å; F88-L102 HydrophobicContact CD1-CG 4.36Å; F88-L102 HydrophobicContact CD2-CD1 4.3Å; F88-L102 HydrophobicContact CE1-CD1 4.25Å; F88-L102 HydrophobicContact CE1-CD2 4.28Å; F88-L102 HydrophobicContact CG-CD1 3.79Å; F88-L102 HydrophobicContact CG-CD2 4.21Å; F88-M140 HydrophobicContact CE1-CE 3.84Å; F88-M140 HydrophobicContact CE2-CE 4.16Å; F88-M140 HydrophobicContact CZ-CE 3.61Å; F88-L143 HydrophobicContact CE2-CD2 4.45Å; F88-L143 HydrophobicContact CE2-CG 4.09Å; F88-L143 HydrophobicContact CZ-CD2 4.04Å; F88-L143 HydrophobicContact CZ-CG 4.17Å; F88-L144 HydrophobicContact CB-CD1 3.84Å; F88-L144 HydrophobicContact CD2-CD1 3.54Å; F88-L144 HydrophobicContact CE2-CD1 4.44Å; F88-L144 HydrophobicContact CG-CD1 3.99Å; F88-K147 HydrophobicContact CD2-CB 4.1Å; F88-K147 HydrophobicContact CD2-CG 4.48Å; F88-K147 HydrophobicContact CE2-CB 4Å; F88-K147 HydrophobicContact CE2-CG 3.9Å
89	L	98.5	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-20.4	175.8	-66.4	179.6	0	0	0	112.9	Y44 V48 Q49 L85 L91 L94 L99 L102	Y44-L89 HydrophobicContact CD2-CB 3.86Å; Y44-L89 HydrophobicContact CE2-CB 3.82Å; Y44-L89 HydrophobicContact CE2-CD1 3.94Å; Y44-L89 HydrophobicContact CG-CB 4.35Å; V48-L89 WeakPolarHBondContact CG1-O 3.2Å; Q49-L89 HydrophobicContact CG-CB 4.46Å; Q49-L89 HydrophobicContact CG-CD2 4.5Å; Q49-L89 PolarHBondContact NE2-O 3.49Å; L85-L89 HydrophobicContact CD2-CD1 3.58Å; L85-L89 HydrophobicContact CD2-CG 4.39Å; L85-L89 HydrophobicContact CG-CD1 4.31Å; L85-L89 VanDerWaalsContact O-CG 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.49Å; L89-L91 VanDerWaalsContact C-N 3.28Å; L89-L94 HydrophobicContact CD2-CB 3.96Å; L89-L94 HydrophobicContact CD2-CD2 4.1Å; L89-L99 HydrophobicContact CD1-CD1 4.33Å; L89-L99 HydrophobicContact CD2-CD1 4.36Å; L89-L102 HydrophobicContact CD2-CD2 3.96Å; L89-L102 HydrophobicContact CG-CD2 4.18Å
90	S	98.4	Very high	98.1	Very high	19 Å²	19	42.2 Å²	42.2	13%	0.133	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.6	172.1	-60.3	0	0	0	0	113.9	S41 Y44 D86 R87 F88	S41-S90 PolarHBondContact N-OG 2.98Å; Y44-S90 WeakPolarHBondContact CD1-OG 3.38Å; D86-S90 WeakPolarHBondContact O-CB 3.38Å; D86-S90 PolarHBondContact O-N 2.72Å; D86-S90 PolarHBondContact O-OG 3.23Å; R87-S90 WeakPolarHBondContact O-CB 3.45Å; R87-S90 PolarHBondContact O-N 3.12Å; F88-S90 PolarHBondContact O-N 3.29Å
91	L	97.9	Very high	98.1	Very high	96 Å²	96	42.3 Å²	42.3	50%	0.503	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-39	-173.9	-63.2	172.4	0	0	0	112.5	R87 F88 L89 K147 L148	R87-L91 WeakPolarHBondContact O-CG 3.43Å; R87-L91 PolarHBondContact O-N 3.39Å; F88-L91 PolarHBondContact O-N 3.47Å; L89-L91 VanDerWaalsContact C-N 3.28Å; L91-K147 WeakPolarHBondContact CD1-O 3.28Å; L91-L148 HydrophobicContact CD1-CD2 4.41Å
92	E	97.8	Very high	98.1	Very high	60 Å²	60	42.3 Å²	42.3	28%	0.28	21%	0.212	S	C	.	.	S	Bend	trans	-125.3	128.8	-170.4	-68.2	-65.2	140	0	0	112.1	Q49 F88 L94 K147	Q49-E92 PolarHBondContact NE2-O 3.22Å; F88-E92 HydrophobicContact CD1-CB 4.34Å; F88-E92 HydrophobicContact CE1-CB 3.78Å; F88-E92 HydrophobicContact CE1-CG 4.42Å; F88-E92 HydrophobicContact CE2-CG 4.45Å; F88-E92 HydrophobicContact CZ-CB 3.96Å; F88-E92 HydrophobicContact CZ-CG 4.12Å; F88-E92 PolarHBondContact O-N 3.17Å; E92-L94 PolarHBondContact O-N 2.83Å; E92-K147 VanDerWaalsContact CD-CE 3.45Å; E92-K147 VanDerWaalsContact CD-NZ 3.3Å; E92-K147 HydrophobicContact CG-CD 3.76Å; E92-K147 HydrophobicContact CG-CG 4.08Å; E92-K147 WeakPolarHBondContact OE1-CD 3.32Å; E92-K147 WeakPolarHBondContact OE1-CE 3.34Å; E92-K147 IonicContact OE1-NZ 3.1Å; E92-K147 PolarHBondContact OE1-NZ 3.08Å; E92-K147 IonicContact OE2-NZ 2.63Å
93	P	97.5	Very high	98.1	Very high	73 Å²	73	42.1 Å²	42.1	47%	0.474	21%	0.211	S	C	.	.			trans	-66.6	129.3	171	27.9	-32.5	0	0	0	110.1
94	L	97.8	Very high	98.2	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.089	20%	0.204	C	C	.	.			trans	-114.8	142.7	-178.8	-164.3	75.2	0	0	0	111.2	I52 F88 L89 E92 R98 L99 L102 M140	I52-L94 HydrophobicContact CG1-CB 4.24Å; I52-L94 WeakPolarHBondContact CG1-O 3.49Å; F88-L94 HydrophobicContact CE1-CD1 4.23Å; L89-L94 HydrophobicContact CD2-CB 3.96Å; L89-L94 HydrophobicContact CD2-CD2 4.1Å; E92-L94 PolarHBondContact O-N 2.83Å; L94-R98 HydrophobicContact CD1-CB 3.94Å; L94-R98 HydrophobicContact CG-CB 4.17Å; L94-L99 HydrophobicContact CD2-CB 4.23Å; L94-L99 HydrophobicContact CD2-CD1 3.82Å; L94-L102 HydrophobicContact CD2-CB 4Å; L94-L102 HydrophobicContact CD2-CD2 3.73Å; L94-M140 HydrophobicContact CD1-CE 4.45Å
95	K	97.8	Very high	98.2	Very high	130 Å²	130	40.8 Å²	40.8	57%	0.565	20%	0.204	S	C	*	.			trans	-75	144.1	168.5	-65.6	-172.2	178.3	-176.7	0	110.1	E51 S97 R98	E51-K95 WeakPolarHBondContact OE2-CA 3.36Å; K95-S97 PolarHBondContact O-N 2.82Å; K95-S97 VanDerWaalsContact O-N 3.13Å; K95-R98 PolarHBondContact O-N 2.97Å
96	K	96.1	Very high	98.2	Very high	129 Å²	129	40.8 Å²	40.8	56%	0.561	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-56.2	-34	179.6	66.8	-177.2	176.7	177.9	0	113.6	E51 I52 M56 R98 L99	E51-K96 HydrophobicContact CB-CB 4.42Å; E51-K96 PolarHBondContact OE2-N 2.9Å; I52-K96 VanDerWaalsContact CD1-CA 3.48Å; I52-K96 HydrophobicContact CD1-CB 4.14Å; M56-K96 HydrophobicContact CE-CB 3.84Å; M56-K96 HydrophobicContact CE-CD 3.87Å; M56-K96 HydrophobicContact CE-CG 4.45Å; M56-K96 HydrophobicContact SD-CB 4.04Å; K96-R98 PolarHBondContact O-N 2.77Å; K96-L99 PolarHBondContact O-N 3.29Å
97	S	96.4	Very high	98.2	Very high	99 Å²	99	39.9 Å²	39.9	69%	0.692	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-68.3	-16.1	178.7	59	0	0	0	0	114.2	K95	K95-S97 PolarHBondContact O-N 2.82Å; K95-S97 VanDerWaalsContact O-N 3.13Å
98	R	97.8	Very high	98.2	Very high	112 Å²	112	39.6 Å²	39.6	42%	0.423	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-103	1.9	179.6	-57.8	-164.2	110.9	-175.9	3.6	113.2	L94 K95 K96 L101 L102	L94-R98 HydrophobicContact CD1-CB 3.94Å; L94-R98 HydrophobicContact CG-CB 4.17Å; K95-R98 PolarHBondContact O-N 2.97Å; K96-R98 PolarHBondContact O-N 2.77Å; R98-L101 WeakPolarHBondContact O-CB 3.17Å; R98-L101 PolarHBondContact O-N 3.26Å; R98-L102 PolarHBondContact O-N 3.4Å
99	L	98.3	Very high	98.2	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-40.9	-176.9	-170.3	66.1	0	0	0	112.1	I52 M56 V60 L89 L94 K96 L102 G103	I52-L99 HydrophobicContact CD1-CB 4.31Å; I52-L99 HydrophobicContact CD1-CD1 4.37Å; I52-L99 HydrophobicContact CD1-CD2 4.4Å; I52-L99 HydrophobicContact CG2-CD1 4.27Å; I52-L99 HydrophobicContact CG2-CD2 4.08Å; M56-L99 HydrophobicContact CB-CD2 3.83Å; V60-L99 HydrophobicContact CB-CD2 4.3Å; V60-L99 HydrophobicContact CB-CG 4.35Å; V60-L99 HydrophobicContact CG2-CB 4.44Å; V60-L99 HydrophobicContact CG2-CD2 3.72Å; V60-L99 HydrophobicContact CG2-CG 3.83Å; L89-L99 HydrophobicContact CD1-CD1 4.33Å; L89-L99 HydrophobicContact CD2-CD1 4.36Å; L94-L99 HydrophobicContact CD2-CB 4.23Å; L94-L99 HydrophobicContact CD2-CD1 3.82Å; K96-L99 PolarHBondContact O-N 3.29Å; L99-L102 PolarHBondContact O-N 3.43Å; L99-G103 PolarHBondContact O-N 3.47Å
100	Q	98.4	Very high	98.2	Very high	67 Å²	67	39.5 Å²	39.5	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-66.3	-38.1	176	-167.2	175.2	24.8	0	0	111.8	W63 G103 A104 T128 S131	W63-Q100 HydrophobicContact CE3-CG 4.31Å; W63-Q100 HydrophobicContact CH2-CG 4.1Å; W63-Q100 HydrophobicContact CZ2-CG 4.35Å; W63-Q100 HydrophobicContact CZ3-CG 4.07Å; Q100-G103 PolarHBondContact O-N 3.25Å; Q100-A104 WeakPolarHBondContact O-CB 3.23Å; Q100-A104 PolarHBondContact O-N 3.18Å; Q100-T128 HydrophobicContact CG-CG2 4.12Å; Q100-S131 PolarHBondContact OE1-OG 3.08Å
101	L	98.8	Very high	98.2	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-48.5	171.6	176.8	60.5	0	0	0	111.3	R98 G103 A104 T105 I132 E136 L137 M140	R98-L101 WeakPolarHBondContact O-CB 3.17Å; R98-L101 PolarHBondContact O-N 3.26Å; L101-G103 VanDerWaalsContact C-N 3.34Å; L101-G103 PolarHBondContact O-N 2.86Å; L101-A104 PolarHBondContact O-N 3.15Å; L101-T105 WeakPolarHBondContact O-CB 3.42Å; L101-T105 PolarHBondContact O-N 2.74Å; L101-T105 PolarHBondContact O-OG1 3.21Å; L101-I132 HydrophobicContact CB-CG2 3.93Å; L101-I132 HydrophobicContact CD1-CB 4.12Å; L101-I132 HydrophobicContact CD1-CD1 3.77Å; L101-I132 HydrophobicContact CD1-CG2 4.02Å; L101-I132 HydrophobicContact CG-CG2 4.5Å; L101-E136 HydrophobicContact CD1-CB 4.21Å; L101-E136 HydrophobicContact CD2-CB 4.31Å; L101-L137 HydrophobicContact CD1-CB 4.38Å; L101-M140 HydrophobicContact CD1-CB 4.31Å; L101-M140 HydrophobicContact CD2-CB 4.28Å; L101-M140 HydrophobicContact CD2-CG 4.43Å; L101-M140 HydrophobicContact CG-CB 4.12Å; L101-M140 HydrophobicContact CG-CG 4.09Å
102	L	98.8	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-45.3	175.7	175.5	63.3	0	0	0	111.3	L85 F88 L89 L94 R98 L99 T105 C106 M140 L144	L85-L102 HydrophobicContact CG-CD2 4.37Å; F88-L102 HydrophobicContact CB-CD1 4.13Å; F88-L102 HydrophobicContact CB-CD2 4.33Å; F88-L102 HydrophobicContact CD1-CD1 3.77Å; F88-L102 HydrophobicContact CD1-CD2 3.59Å; F88-L102 HydrophobicContact CD1-CG 4.36Å; F88-L102 HydrophobicContact CD2-CD1 4.3Å; F88-L102 HydrophobicContact CE1-CD1 4.25Å; F88-L102 HydrophobicContact CE1-CD2 4.28Å; F88-L102 HydrophobicContact CG-CD1 3.79Å; F88-L102 HydrophobicContact CG-CD2 4.21Å; L89-L102 HydrophobicContact CD2-CD2 3.96Å; L89-L102 HydrophobicContact CG-CD2 4.18Å; L94-L102 HydrophobicContact CD2-CB 4Å; L94-L102 HydrophobicContact CD2-CD2 3.73Å; R98-L102 PolarHBondContact O-N 3.4Å; L99-L102 PolarHBondContact O-N 3.43Å; L102-T105 PolarHBondContact O-N 2.94Å; L102-C106 WeakPolarHBondContact O-CB 3.13Å; L102-C106 PolarHBondContact O-N 3.45Å; L102-C106 PolarHBondContact O-SG 3.48Å; L102-M140 HydrophobicContact CB-CE 4Å; L102-M140 HydrophobicContact CD1-CE 3.51Å; L102-M140 HydrophobicContact CG-CE 4.27Å; L102-L144 HydrophobicContact CD1-CD1 4.14Å
103	G	98.8	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-47.3	177.7	0	0	0	0	0	112.7	L99 Q100 L101 T105 C106 M107	L99-G103 PolarHBondContact O-N 3.47Å; Q100-G103 PolarHBondContact O-N 3.25Å; L101-G103 VanDerWaalsContact C-N 3.34Å; L101-G103 PolarHBondContact O-N 2.86Å; G103-T105 VanDerWaalsContact C-N 3.35Å; G103-T105 PolarHBondContact O-N 3.02Å; G103-C106 PolarHBondContact O-N 2.97Å; G103-M107 PolarHBondContact O-N 3.08Å
104	A	98.8	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-46.8	174.8	0	0	0	0	0	111.6	W63 Q100 L101 C106 M107 F108 L124 T128 I132 L137	W63-A104 HydrophobicContact CH2-CB 3.93Å; Q100-A104 WeakPolarHBondContact O-CB 3.23Å; Q100-A104 PolarHBondContact O-N 3.18Å; L101-A104 PolarHBondContact O-N 3.15Å; A104-C106 VanDerWaalsContact C-N 3.35Å; A104-C106 PolarHBondContact O-N 3.31Å; A104-M107 PolarHBondContact O-N 3.18Å; A104-F108 WeakPolarHBondContact O-CB 3.48Å; A104-F108 PolarHBondContact O-N 3.41Å; A104-L124 WeakPolarHBondContact O-CD1 3.46Å; A104-T128 HydrophobicContact CB-CG2 4.48Å; A104-I132 HydrophobicContact CB-CD1 3.64Å; A104-L137 HydrophobicContact CB-CD1 4.2Å
105	T	98.9	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-38.3	177.1	-58.1	0	0	0	0	112.3	L101 L102 G103 F108 V109 M140 E141 L144	L101-T105 WeakPolarHBondContact O-CB 3.42Å; L101-T105 PolarHBondContact O-N 2.74Å; L101-T105 PolarHBondContact O-OG1 3.21Å; L102-T105 PolarHBondContact O-N 2.94Å; G103-T105 VanDerWaalsContact C-N 3.35Å; G103-T105 PolarHBondContact O-N 3.02Å; T105-F108 WeakPolarHBondContact O-CB 3.45Å; T105-F108 PolarHBondContact O-N 3.41Å; T105-V109 HydrophobicContact CG2-CG2 4.46Å; T105-V109 WeakPolarHBondContact O-CG2 3.43Å; T105-V109 PolarHBondContact O-N 3.32Å; T105-M140 HydrophobicContact CG2-CB 4.15Å; T105-M140 HydrophobicContact CG2-CG 4.06Å; T105-M140 WeakPolarHBondContact OG1-CB 3.44Å; T105-M140 WeakPolarHBondContact OG1-CG 3.22Å; T105-E141 HydrophobicContact CG2-CB 3.94Å; T105-E141 VanDerWaalsContact CG2-N 3.32Å; T105-L144 HydrophobicContact CG2-CB 4.23Å; T105-L144 HydrophobicContact CG2-CD2 3.8Å
106	C	98.9	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-42.6	176.7	-68.6	0	0	0	0	111.3	M64 A81 L102 G103 A104 V109 A110	M64-C106 HydrophobicContact CE-CB 4.31Å; A81-C106 HydrophobicContact CB-CB 4.06Å; A81-C106 WeakPolarHBondContact O-CB 3.45Å; L102-C106 WeakPolarHBondContact O-CB 3.13Å; L102-C106 PolarHBondContact O-N 3.45Å; L102-C106 PolarHBondContact O-SG 3.48Å; G103-C106 PolarHBondContact O-N 2.97Å; A104-C106 VanDerWaalsContact C-N 3.35Å; A104-C106 PolarHBondContact O-N 3.31Å; C106-V109 PolarHBondContact O-N 3.04Å; C106-A110 VanDerWaalsContact O-CB 3.24Å; C106-A110 WeakPolarHBondContact O-CB 3.49Å; C106-A110 PolarHBondContact O-N 3.19Å
107	M	98.8	Very high	97.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-42.4	172.8	-67.9	-171	-70.8	0	0	111.7	W63 M64 V67 A81 G103 A104 V109 A110 S111 L119 L124	W63-M107 HydrophobicContact CE3-CE 4.26Å; W63-M107 HydrophobicContact CH2-CE 3.33Å; W63-M107 HydrophobicContact CZ2-CE 4.01Å; W63-M107 HydrophobicContact CZ3-CE 3.48Å; W63-M107 VanDerWaalsContact CZ3-CE 3.48Å; M64-M107 HydrophobicContact CB-CE 4.32Å; M64-M107 HydrophobicContact CB-CG 4.3Å; M64-M107 HydrophobicContact CB-SD 3.72Å; M64-M107 HydrophobicContact CE-CG 3.91Å; M64-M107 HydrophobicContact CG-CE 3.85Å; M64-M107 HydrophobicContact CG-CG 4.09Å; M64-M107 HydrophobicContact CG-SD 3.8Å; V67-M107 HydrophobicContact CB-CE 4.2Å; V67-M107 HydrophobicContact CB-SD 4.07Å; V67-M107 HydrophobicContact CG1-CE 4.07Å; V67-M107 HydrophobicContact CG1-SD 4.05Å; V67-M107 HydrophobicContact CG2-CE 4.44Å; A81-M107 HydrophobicContact CB-CG 4.11Å; G103-M107 PolarHBondContact O-N 3.08Å; A104-M107 PolarHBondContact O-N 3.18Å; M107-V109 PolarHBondContact O-N 3.46Å; M107-A110 PolarHBondContact O-N 3.44Å; M107-S111 WeakPolarHBondContact O-CB 3.35Å; M107-S111 PolarHBondContact O-N 2.92Å; M107-S111 PolarHBondContact O-OG 3.25Å; M107-L119 HydrophobicContact CB-CD1 4.37Å; M107-L124 HydrophobicContact CB-CD2 4.29Å; M107-L124 HydrophobicContact CE-CD2 3.83Å
108	F	98.8	Very high	97.4	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-43	177.9	-172.4	-125.8	0	0	0	113.2	A104 T105 S111 K112 L119 A121 L124 L137 L138 E141	A104-F108 WeakPolarHBondContact O-CB 3.48Å; A104-F108 PolarHBondContact O-N 3.41Å; T105-F108 WeakPolarHBondContact O-CB 3.45Å; T105-F108 PolarHBondContact O-N 3.41Å; F108-S111 PolarHBondContact O-OG 2.89Å; F108-K112 VanDerWaalsContact CZ-NZ 3.28Å; F108-K112 WeakPolarHBondContact O-CG 3.3Å; F108-K112 PolarHBondContact O-N 3.42Å; F108-L119 VanDerWaalsContact CD2-O 3.23Å; F108-L119 WeakPolarHBondContact CD2-O 3.24Å; F108-L119 VanDerWaalsContact CE2-O 3.24Å; F108-L119 WeakPolarHBondContact CE2-O 3.37Å; F108-A121 HydrophobicContact CE2-CB 4.25Å; F108-A121 HydrophobicContact CZ-CB 4.22Å; F108-L124 HydrophobicContact CB-CD1 3.5Å; F108-L124 HydrophobicContact CD2-CD1 3.85Å; F108-L124 HydrophobicContact CG-CD1 4.06Å; F108-L137 HydrophobicContact CB-CD2 4.02Å; F108-L137 HydrophobicContact CD1-CD2 3.35Å; F108-L137 HydrophobicContact CD2-CD2 4.3Å; F108-L137 HydrophobicContact CE1-CD2 3.7Å; F108-L137 HydrophobicContact CG-CD2 3.65Å; F108-L137 HydrophobicContact CZ-CD2 4.34Å; F108-L138 HydrophobicContact CE1-CD2 3.89Å; F108-L138 HydrophobicContact CZ-CD2 4.2Å; F108-E141 WeakPolarHBondContact CE1-OE2 3.38Å
109	V	98.8	Very high	97.3	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-73.8	-38	178	177.3	0	0	0	0	110.5	Y84 T105 C106 M107 K112 M113 E141 L144 V145 L152	Y84-V109 HydrophobicContact CD2-CB 4.33Å; Y84-V109 HydrophobicContact CD2-CG1 4.28Å; Y84-V109 HydrophobicContact CE2-CB 4.08Å; Y84-V109 HydrophobicContact CE2-CG1 3.7Å; T105-V109 HydrophobicContact CG2-CG2 4.46Å; T105-V109 WeakPolarHBondContact O-CG2 3.43Å; T105-V109 PolarHBondContact O-N 3.32Å; C106-V109 PolarHBondContact O-N 3.04Å; M107-V109 PolarHBondContact O-N 3.46Å; V109-K112 PolarHBondContact O-N 3.04Å; V109-M113 VanDerWaalsContact O-CG 3.3Å; V109-M113 WeakPolarHBondContact O-CG 3.5Å; V109-M113 PolarHBondContact O-N 2.86Å; V109-E141 HydrophobicContact CG2-CG 3.89Å; V109-L144 HydrophobicContact CB-CD2 4.4Å; V109-L144 HydrophobicContact CG2-CD2 4.04Å; V109-V145 HydrophobicContact CG1-CG2 4.22Å; V109-V145 HydrophobicContact CG2-CG2 4.13Å; V109-L152 HydrophobicContact CG1-CD1 3.83Å; V109-L152 HydrophobicContact CG1-CD2 4.02Å; V109-L152 HydrophobicContact CG1-CG 4.49Å
110	A	98.6	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.4	-41.7	178.6	0	0	0	0	0	112.3	V77 L80 A81 Y84 C106 M107 K112 M113 K114	V77-A110 HydrophobicContact CG1-CB 4.06Å; V77-A110 WeakPolarHBondContact O-CB 3.43Å; L80-A110 HydrophobicContact CB-CB 4.15Å; L80-A110 HydrophobicContact CD2-CB 4.18Å; L80-A110 HydrophobicContact CG-CB 4.11Å; A81-A110 HydrophobicContact CB-CB 3.88Å; Y84-A110 HydrophobicContact CD2-CB 4.37Å; Y84-A110 HydrophobicContact CE2-CB 3.96Å; C106-A110 VanDerWaalsContact O-CB 3.24Å; C106-A110 WeakPolarHBondContact O-CB 3.49Å; C106-A110 PolarHBondContact O-N 3.19Å; M107-A110 PolarHBondContact O-N 3.44Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.18Å; A110-M113 PolarHBondContact O-N 3.5Å; A110-K114 PolarHBondContact O-N 3.48Å
111	S	98.3	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-42.1	176	62.7	0	0	0	0	111.6	M107 F108 M113 K114 E115 L119	M107-S111 WeakPolarHBondContact O-CB 3.35Å; M107-S111 PolarHBondContact O-N 2.92Å; M107-S111 PolarHBondContact O-OG 3.25Å; F108-S111 PolarHBondContact O-OG 2.89Å; S111-M113 PolarHBondContact O-N 3.19Å; S111-K114 PolarHBondContact O-N 3.16Å; S111-E115 WeakPolarHBondContact CB-OE2 3.1Å; S111-E115 WeakPolarHBondContact O-CA 3.5Å; S111-E115 VanDerWaalsContact O-CB 3.31Å; S111-E115 WeakPolarHBondContact O-CB 3.49Å; S111-E115 PolarHBondContact O-N 3.01Å; S111-L119 PolarHBondContact OG-N 3.14Å
112	K	98.1	Very high	97.3	Very high	91 Å²	91	38.1 Å²	38.1	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-28.2	174	-73	176.8	-177.9	-176.6	0	113.7	F108 V109 A110 P118 E141	F108-K112 VanDerWaalsContact CZ-NZ 3.28Å; F108-K112 WeakPolarHBondContact O-CG 3.3Å; F108-K112 PolarHBondContact O-N 3.42Å; V109-K112 PolarHBondContact O-N 3.04Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 3.18Å; K112-P118 HydrophobicContact CB-CG 4.49Å; K112-P118 HydrophobicContact CG-CB 3.97Å; K112-P118 HydrophobicContact CG-CG 4.15Å; K112-E141 VanDerWaalsContact NZ-CD 3.31Å; K112-E141 IonicContact NZ-OE1 3.76Å; K112-E141 PolarHBondContact NZ-OE1 3.21Å; K112-E141 IonicContact NZ-OE2 3.36Å; K112-E141 PolarHBondContact NZ-OE2 3.43Å
113	M	97.6	Very high	97.2	Very high	89 Å²	89	42.3 Å²	42.3	44%	0.438	22%	0.216	S	C	.	.	H	α-helix	trans	-87.8	-26.1	-178.5	-67.6	-60.9	-60.8	0	0	113.4	L80 V109 A110 S111 L152	L80-M113 HydrophobicContact CD2-CB 4.04Å; V109-M113 VanDerWaalsContact O-CG 3.3Å; V109-M113 WeakPolarHBondContact O-CG 3.5Å; V109-M113 PolarHBondContact O-N 2.86Å; A110-M113 PolarHBondContact O-N 3.5Å; S111-M113 PolarHBondContact O-N 3.19Å; M113-L152 HydrophobicContact CE-CB 4.11Å; M113-L152 HydrophobicContact CG-CB 4.35Å; M113-L152 HydrophobicContact SD-CB 4.15Å; M113-L152 HydrophobicContact SD-CD1 4.23Å
114	K	95.3	Very high	97.2	Very high	63 Å²	63	42.3 Å²	42.3	27%	0.274	22%	0.216	S	C	.	.	H	α-helix	trans	-121.8	-19	-169	-67.8	-67.1	-170.4	165.5	0	114.6	E76 V77 L80 A110 S111 D159	E76-K114 HydrophobicContact CB-CB 4.49Å; E76-K114 HydrophobicContact CB-CD 3.84Å; E76-K114 HydrophobicContact CB-CG 3.96Å; E76-K114 HydrophobicContact CG-CD 4.46Å; V77-K114 HydrophobicContact CG2-CB 3.94Å; L80-K114 HydrophobicContact CD2-CD 4.42Å; L80-K114 HydrophobicContact CD2-CG 3.67Å; A110-K114 PolarHBondContact O-N 3.48Å; S111-K114 PolarHBondContact O-N 3.16Å; K114-D159 IonicContact NZ-OD1 2.7Å
115	E	92.6	Very high	97.1	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.154	22%	0.217	C	C	.	.			trans	-106.3	145.6	-177.5	-56.4	-167.1	96.9	0	0	112.6	C73 E74 V77 S111 I117	C73-E115 VanDerWaalsContact CA-OE1 3.3Å; C73-E115 WeakPolarHBondContact CA-OE1 3.31Å; E74-E115 HydrophobicContact CB-CG 4.44Å; E74-E115 HydrophobicContact CG-CG 4.31Å; V77-E115 HydrophobicContact CG2-CG 3.61Å; S111-E115 WeakPolarHBondContact CB-OE2 3.1Å; S111-E115 WeakPolarHBondContact O-CA 3.5Å; S111-E115 VanDerWaalsContact O-CB 3.31Å; S111-E115 WeakPolarHBondContact O-CB 3.49Å; S111-E115 PolarHBondContact O-N 3.01Å; E115-I117 VanDerWaalsContact C-N 3.34Å
116	T	91.1	Very high	97.1	Very high	84 Å²	84	47.7 Å²	47.7	52%	0.515	24%	0.244	S	C	.	.	S	Bend	trans	-68.5	-36.3	171.3	-54.6	0	0	0	0	111.7
117	I	92.9	Very high	97	Very high	131 Å²	131	49.8 Å²	49.8	67%	0.672	25%	0.252	S	S	*	.	S	Bend	trans	-123.7	95.2	175.6	-56	175.9	0	0	0	107.2	E115	E115-I117 VanDerWaalsContact C-N 3.34Å
118	P	96.5	Very high	96.9	Very high	47 Å²	47	50 Å²	50	31%	0.305	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-67	154	-175.7	-23.6	35.4	0	0	0	113.4	K112 T120	K112-P118 HydrophobicContact CB-CG 4.49Å; K112-P118 HydrophobicContact CG-CB 3.97Å; K112-P118 HydrophobicContact CG-CG 4.15Å; P118-T120 PolarHBondContact O-N 3.36Å
119	L	97.3	Very high	96.8	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.068	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-49.9	133.6	165.4	-61.1	177.5	0	0	0	111.7	Q71 M107 F108 S111 L124	Q71-L119 HydrophobicContact CB-CD2 3.74Å; Q71-L119 HydrophobicContact CG-CD2 3.7Å; M107-L119 HydrophobicContact CB-CD1 4.37Å; F108-L119 VanDerWaalsContact CD2-O 3.23Å; F108-L119 WeakPolarHBondContact CD2-O 3.24Å; F108-L119 VanDerWaalsContact CE2-O 3.24Å; F108-L119 WeakPolarHBondContact CE2-O 3.37Å; S111-L119 PolarHBondContact OG-N 3.14Å; L119-L124 HydrophobicContact CB-CD1 4.26Å; L119-L124 HydrophobicContact CB-CG 4.3Å; L119-L124 HydrophobicContact CD1-CD2 4.02Å
120	T	98.1	Very high	96.7	Very high	74 Å²	74	61.2 Å²	61.2	45%	0.454	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-84.1	151.3	176.8	68.4	0	0	0	0	111.3	P118 E122 K123 L124	P118-T120 PolarHBondContact O-N 3.36Å; T120-E122 VanDerWaalsContact C-N 3.3Å; T120-E122 PolarHBondContact O-N 3.49Å; T120-K123 PolarHBondContact O-N 3.4Å; T120-K123 VanDerWaalsContact OG1-CB 3.28Å; T120-K123 WeakPolarHBondContact OG1-CB 3.32Å; T120-K123 PolarHBondContact OG1-N 3.03Å; T120-L124 PolarHBondContact O-N 3.42Å
121	A	98.1	Very high	96.5	Very high	16 Å²	16	64.6 Å²	64.6	13%	0.132	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-41.7	177	0	0	0	0	0	111.9	F108 K123 L124 C125 P134 L137	F108-A121 HydrophobicContact CE2-CB 4.25Å; F108-A121 HydrophobicContact CZ-CB 4.22Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-K123 PolarHBondContact O-N 3.44Å; A121-L124 PolarHBondContact O-N 3.33Å; A121-C125 PolarHBondContact O-N 3.43Å; A121-C125 PolarHBondContact O-SG 3.4Å; A121-P134 HydrophobicContact CB-CB 4.34Å; A121-L137 HydrophobicContact CB-CD2 4.1Å
122	E	97.9	Very high	96.4	Very high	143 Å²	143	65.3 Å²	65.3	67%	0.668	34%	0.341	S	S	*	.	H	α-helix	trans	-58.6	-45.7	176.5	-66.9	179	176.4	0	0	111.8	T120 L124 C125 I126 P134	T120-E122 VanDerWaalsContact C-N 3.3Å; T120-E122 PolarHBondContact O-N 3.49Å; E122-L124 PolarHBondContact O-N 2.99Å; E122-C125 WeakPolarHBondContact O-CB 3.44Å; E122-C125 PolarHBondContact O-N 3.03Å; E122-I126 WeakPolarHBondContact O-CG1 3.47Å; E122-I126 PolarHBondContact O-N 3.4Å; E122-P134 HydrophobicContact CG-CG 4.48Å
123	K	97.1	Very high	96.4	Very high	87 Å²	87	68.7 Å²	68.7	38%	0.378	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-40.8	-179.7	-172.8	173.4	-74.3	-179.3	0	112.1	Q71 T120 A121 C125 I126 Y127	Q71-K123 VanDerWaalsContact CD-CD 3.5Å; Q71-K123 HydrophobicContact CG-CD 4.28Å; T120-K123 PolarHBondContact O-N 3.4Å; T120-K123 VanDerWaalsContact OG1-CB 3.28Å; T120-K123 WeakPolarHBondContact OG1-CB 3.32Å; T120-K123 PolarHBondContact OG1-N 3.03Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-K123 PolarHBondContact O-N 3.44Å; K123-C125 VanDerWaalsContact C-N 3.3Å; K123-C125 PolarHBondContact O-N 3.13Å; K123-I126 WeakPolarHBondContact O-CB 3.27Å; K123-I126 PolarHBondContact O-N 3.03Å; K123-Y127 HydrophobicContact CD-CE2 4.22Å; K123-Y127 HydrophobicContact CG-CD2 4.1Å; K123-Y127 HydrophobicContact CG-CE2 3.86Å; K123-Y127 VanDerWaalsContact O-CD2 3.29Å; K123-Y127 WeakPolarHBondContact O-CD2 3.21Å; K123-Y127 PolarHBondContact O-N 3.03Å; K123-Y127 VanDerWaalsContact O-N 3.11Å
124	L	98.2	Very high	96.4	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-37.4	173.7	-75.8	170.3	0	0	0	112.2	V67 A104 M107 F108 L119 T120 A121 E122 I126 Y127 T128 L137	V67-L124 HydrophobicContact CG1-CD2 4.32Å; A104-L124 WeakPolarHBondContact O-CD1 3.46Å; M107-L124 HydrophobicContact CB-CD2 4.29Å; M107-L124 HydrophobicContact CE-CD2 3.83Å; F108-L124 HydrophobicContact CB-CD1 3.5Å; F108-L124 HydrophobicContact CD2-CD1 3.85Å; F108-L124 HydrophobicContact CG-CD1 4.06Å; L119-L124 HydrophobicContact CB-CD1 4.26Å; L119-L124 HydrophobicContact CB-CG 4.3Å; L119-L124 HydrophobicContact CD1-CD2 4.02Å; T120-L124 PolarHBondContact O-N 3.42Å; A121-L124 PolarHBondContact O-N 3.33Å; E122-L124 PolarHBondContact O-N 2.99Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-Y127 PolarHBondContact O-N 3.43Å; L124-T128 WeakPolarHBondContact O-CG2 3.32Å; L124-T128 PolarHBondContact O-N 3.21Å; L124-L137 HydrophobicContact CB-CD1 3.8Å; L124-L137 HydrophobicContact CD1-CD1 4.07Å
125	C	97.9	Very high	96.6	Very high	4 Å²	4	68.2 Å²	68.2	3%	0.027	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-40.3	174.1	-62.8	0	0	0	0	111.6	A121 E122 K123 Y127 T128 N130 I132 R133 P134	A121-C125 PolarHBondContact O-N 3.43Å; A121-C125 PolarHBondContact O-SG 3.4Å; E122-C125 WeakPolarHBondContact O-CB 3.44Å; E122-C125 PolarHBondContact O-N 3.03Å; K123-C125 VanDerWaalsContact C-N 3.3Å; K123-C125 PolarHBondContact O-N 3.13Å; C125-Y127 VanDerWaalsContact C-N 3.31Å; C125-Y127 PolarHBondContact O-N 2.92Å; C125-T128 PolarHBondContact O-N 3.08Å; C125-T128 PolarHBondContact O-OG1 3.08Å; C125-N130 WeakPolarHBondContact O-CA 3.12Å; C125-N130 PolarHBondContact O-N 2.84Å; C125-I132 WeakPolarHBondContact CB-O 3.33Å; C125-R133 VanDerWaalsContact SG-C 3.51Å; C125-P134 VanDerWaalsContact SG-N 3.39Å
126	I	98.1	Very high	96.8	Very high	108 Å²	108	69.9 Å²	69.9	55%	0.554	36%	0.361	S	S	*	.	H	α-helix	trans	-58	-44.2	173.9	-66.6	167.3	0	0	0	110.8	E122 K123 L124 T128 D129	E122-I126 WeakPolarHBondContact O-CG1 3.47Å; E122-I126 PolarHBondContact O-N 3.4Å; K123-I126 WeakPolarHBondContact O-CB 3.27Å; K123-I126 PolarHBondContact O-N 3.03Å; L124-I126 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.31Å; I126-T128 VanDerWaalsContact O-N 3.17Å; I126-D129 WeakPolarHBondContact O-CA 3.48Å; I126-D129 PolarHBondContact O-N 3.1Å
127	Y	98.1	Very high	97.2	Very high	44 Å²	44	65.9 Å²	65.9	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-16.5	177.5	-83	-62.6	0	0	0	115	W63 V67 E70 Q71 K123 L124 C125 D129	W63-Y127 PolarHBondContact NE1-O 3.37Å; W63-Y127 VanDerWaalsContact NE1-O 3.13Å; V67-Y127 HydrophobicContact CB-CG 4.46Å; V67-Y127 HydrophobicContact CG1-CD1 4.39Å; V67-Y127 HydrophobicContact CG1-CD2 3.73Å; V67-Y127 HydrophobicContact CG1-CE2 4.08Å; V67-Y127 HydrophobicContact CG1-CG 3.92Å; V67-Y127 HydrophobicContact CG2-CD1 3.74Å; V67-Y127 HydrophobicContact CG2-CD2 4.43Å; V67-Y127 HydrophobicContact CG2-CE1 4.43Å; V67-Y127 HydrophobicContact CG2-CG 3.76Å; E70-Y127 WeakPolarHBondContact CG-OH 3.42Å; E70-Y127 PolarHBondContact OE1-OH 2.67Å; E70-Y127 WeakPolarHBondContact OE2-CE1 3.39Å; Q71-Y127 HydrophobicContact CG-CE2 3.71Å; Q71-Y127 PolarHBondContact NE2-OH 3.36Å; K123-Y127 HydrophobicContact CD-CE2 4.22Å; K123-Y127 HydrophobicContact CG-CD2 4.1Å; K123-Y127 HydrophobicContact CG-CE2 3.86Å; K123-Y127 VanDerWaalsContact O-CD2 3.29Å; K123-Y127 WeakPolarHBondContact O-CD2 3.21Å; K123-Y127 PolarHBondContact O-N 3.03Å; K123-Y127 VanDerWaalsContact O-N 3.11Å; L124-Y127 PolarHBondContact O-N 3.43Å; C125-Y127 VanDerWaalsContact C-N 3.31Å; C125-Y127 PolarHBondContact O-N 2.92Å; Y127-D129 VanDerWaalsContact C-N 3.29Å
128	T	96.2	Very high	97.5	Very high	6 Å²	6	63.5 Å²	63.5	4%	0.037	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	11.8	171.5	72.1	0	0	0	0	113.3	W63 Q100 A104 L124 C125 I126 N130 S131 I132	W63-T128 HydrophobicContact CH2-CG2 4.06Å; W63-T128 HydrophobicContact CZ2-CG2 3.8Å; Q100-T128 HydrophobicContact CG-CG2 4.12Å; A104-T128 HydrophobicContact CB-CG2 4.48Å; L124-T128 WeakPolarHBondContact O-CG2 3.32Å; L124-T128 PolarHBondContact O-N 3.21Å; C125-T128 PolarHBondContact O-N 3.08Å; C125-T128 PolarHBondContact O-OG1 3.08Å; I126-T128 PolarHBondContact O-N 3.31Å; I126-T128 VanDerWaalsContact O-N 3.17Å; T128-N130 PolarHBondContact O-N 3.17Å; T128-S131 WeakPolarHBondContact CB-OG 3.48Å; T128-S131 VanDerWaalsContact O-CB 3.26Å; T128-S131 WeakPolarHBondContact O-CB 3.34Å; T128-S131 PolarHBondContact O-N 3.06Å; T128-S131 VanDerWaalsContact O-N 3.08Å; T128-S131 PolarHBondContact O-OG 3.14Å; T128-S131 PolarHBondContact OG1-N 2.94Å; T128-S131 PolarHBondContact OG1-OG 3.22Å; T128-I132 HydrophobicContact CG2-CD1 3.75Å; T128-I132 HydrophobicContact CG2-CG1 3.67Å; T128-I132 VanDerWaalsContact OG1-CG1 3.32Å; T128-I132 WeakPolarHBondContact OG1-CG1 3.37Å; T128-I132 PolarHBondContact OG1-N 3.18Å
129	D	96.4	Very high	97.6	Very high	145 Å²	145	67.5 Å²	67.5	78%	0.775	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	38.8	-168	-161.4	21.2	0	0	0	112.1	I126 Y127 S131	I126-D129 WeakPolarHBondContact O-CA 3.48Å; I126-D129 PolarHBondContact O-N 3.1Å; Y127-D129 VanDerWaalsContact C-N 3.29Å; D129-S131 PolarHBondContact O-N 3.09Å; D129-S131 VanDerWaalsContact O-N 3.08Å
130	N	95.8	Very high	97.6	Very high	106 Å²	106	67.2 Å²	67.2	57%	0.567	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	24	-175.9	-54.2	-74.2	0	0	0	114.6	C125 T128 I132	C125-N130 WeakPolarHBondContact O-CA 3.12Å; C125-N130 PolarHBondContact O-N 2.84Å; T128-N130 PolarHBondContact O-N 3.17Å; N130-I132 PolarHBondContact O-N 3.34Å
131	S	95.4	Very high	97.7	Very high	72 Å²	72	65.1 Å²	65.1	50%	0.503	32%	0.322	S	S	.	.	S	Bend	trans	-70.3	-19.2	174.3	64	0	0	0	0	113.1	Q100 T128 D129	Q100-S131 PolarHBondContact OE1-OG 3.08Å; T128-S131 WeakPolarHBondContact CB-OG 3.48Å; T128-S131 VanDerWaalsContact O-CB 3.26Å; T128-S131 WeakPolarHBondContact O-CB 3.34Å; T128-S131 PolarHBondContact O-N 3.06Å; T128-S131 VanDerWaalsContact O-N 3.08Å; T128-S131 PolarHBondContact O-OG 3.14Å; T128-S131 PolarHBondContact OG1-N 2.94Å; T128-S131 PolarHBondContact OG1-OG 3.22Å; D129-S131 PolarHBondContact O-N 3.09Å; D129-S131 VanDerWaalsContact O-N 3.08Å
132	I	96.8	Very high	97.7	Very high	14 Å²	14	69.5 Å²	69.5	7%	0.072	34%	0.343	C	S	.	.	S	Bend	trans	-117.7	153.8	168.4	65.5	166.8	0	0	0	110.7	L101 A104 C125 T128 N130 L137	L101-I132 HydrophobicContact CB-CG2 3.93Å; L101-I132 HydrophobicContact CD1-CB 4.12Å; L101-I132 HydrophobicContact CD1-CD1 3.77Å; L101-I132 HydrophobicContact CD1-CG2 4.02Å; L101-I132 HydrophobicContact CG-CG2 4.5Å; A104-I132 HydrophobicContact CB-CD1 3.64Å; C125-I132 WeakPolarHBondContact CB-O 3.33Å; T128-I132 HydrophobicContact CG2-CD1 3.75Å; T128-I132 HydrophobicContact CG2-CG1 3.67Å; T128-I132 VanDerWaalsContact OG1-CG1 3.32Å; T128-I132 WeakPolarHBondContact OG1-CG1 3.37Å; T128-I132 PolarHBondContact OG1-N 3.18Å; N130-I132 PolarHBondContact O-N 3.34Å; I132-L137 HydrophobicContact CD1-CD1 4.05Å
133	R	97.5	Very high	97.7	Very high	163 Å²	163	66 Å²	66	62%	0.615	33%	0.328	S	S	*	.			trans	-106	154.5	176.7	-52.7	179.8	73.7	-160.8	0.4	111.9	C125 E135 E136 L137	C125-R133 VanDerWaalsContact SG-C 3.51Å; R133-E135 VanDerWaalsContact CB-OE2 3.31Å; R133-E135 WeakPolarHBondContact CB-OE2 3.35Å; R133-E135 IonicContact NE-OE2 3.5Å; R133-E135 PolarHBondContact O-N 2.86Å; R133-E136 HydrophobicContact CB-CG 4.41Å; R133-E136 PolarHBondContact N-OE2 2.66Å; R133-E136 WeakPolarHBondContact O-CB 3.45Å; R133-E136 PolarHBondContact O-N 3.03Å; R133-L137 PolarHBondContact O-N 3.38Å; R133-L137 VanDerWaalsContact O-N 3.14Å
134	P	98.2	Very high	97.8	Very high	40 Å²	40	61.9 Å²	61.9	26%	0.26	31%	0.31	S	S	.	.	H	α-helix	trans	-55.7	-36.6	180	-27.5	35.8	0	0	0	113.4	A121 E122 C125 E136 L137 L138	A121-P134 HydrophobicContact CB-CB 4.34Å; E122-P134 HydrophobicContact CG-CG 4.48Å; C125-P134 VanDerWaalsContact SG-N 3.39Å; P134-E136 VanDerWaalsContact C-N 3.31Å; P134-E136 PolarHBondContact O-N 3.27Å; P134-L137 PolarHBondContact O-N 2.86Å; P134-L138 VanDerWaalsContact O-CG 3.3Å; P134-L138 WeakPolarHBondContact O-CG 3.44Å; P134-L138 PolarHBondContact O-N 3.22Å
135	E	98.3	Very high	97.8	Very high	101 Å²	101	62.2 Å²	62.2	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-36.5	179.6	-54.1	79.2	-169.1	0	0	111.9	R133 Q139	R133-E135 VanDerWaalsContact CB-OE2 3.31Å; R133-E135 WeakPolarHBondContact CB-OE2 3.35Å; R133-E135 IonicContact NE-OE2 3.5Å; R133-E135 PolarHBondContact O-N 2.86Å; E135-Q139 WeakPolarHBondContact O-CB 3.38Å; E135-Q139 VanDerWaalsContact O-CG 3.26Å; E135-Q139 WeakPolarHBondContact O-CG 3.4Å; E135-Q139 PolarHBondContact O-N 3.16Å
136	E	98.2	Very high	97.8	Very high	68 Å²	68	66.4 Å²	66.4	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-68.4	-40.2	176	-61.8	-179.7	98.2	0	0	111.1	L101 R133 P134 Q139 M140	L101-E136 HydrophobicContact CD1-CB 4.21Å; L101-E136 HydrophobicContact CD2-CB 4.31Å; R133-E136 HydrophobicContact CB-CG 4.41Å; R133-E136 PolarHBondContact N-OE2 2.66Å; R133-E136 WeakPolarHBondContact O-CB 3.45Å; R133-E136 PolarHBondContact O-N 3.03Å; P134-E136 VanDerWaalsContact C-N 3.31Å; P134-E136 PolarHBondContact O-N 3.27Å; E136-Q139 PolarHBondContact O-N 3.4Å; E136-M140 VanDerWaalsContact O-CB 3.3Å; E136-M140 WeakPolarHBondContact O-CB 3.21Å; E136-M140 PolarHBondContact O-N 3.43Å
137	L	98.6	Very high	97.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-44.7	177.2	-169.9	155.4	0	0	0	111.1	L101 A104 F108 A121 L124 I132 R133 P134 M140 E141	L101-L137 HydrophobicContact CD1-CB 4.38Å; A104-L137 HydrophobicContact CB-CD1 4.2Å; F108-L137 HydrophobicContact CB-CD2 4.02Å; F108-L137 HydrophobicContact CD1-CD2 3.35Å; F108-L137 HydrophobicContact CD2-CD2 4.3Å; F108-L137 HydrophobicContact CE1-CD2 3.7Å; F108-L137 HydrophobicContact CG-CD2 3.65Å; F108-L137 HydrophobicContact CZ-CD2 4.34Å; A121-L137 HydrophobicContact CB-CD2 4.1Å; L124-L137 HydrophobicContact CB-CD1 3.8Å; L124-L137 HydrophobicContact CD1-CD1 4.07Å; I132-L137 HydrophobicContact CD1-CD1 4.05Å; R133-L137 PolarHBondContact O-N 3.38Å; R133-L137 VanDerWaalsContact O-N 3.14Å; P134-L137 PolarHBondContact O-N 2.86Å; L137-M140 PolarHBondContact O-N 3.46Å; L137-E141 PolarHBondContact O-N 3.12Å
138	L	98.6	Very high	97.9	Very high	81 Å²	81	63 Å²	63	42%	0.424	32%	0.317	S	S	.	.	H	α-helix	trans	-67	-37.8	177.5	-66.2	176.1	0	0	0	112.5	F108 P134 E141 L142	F108-L138 HydrophobicContact CE1-CD2 3.89Å; F108-L138 HydrophobicContact CZ-CD2 4.2Å; P134-L138 VanDerWaalsContact O-CG 3.3Å; P134-L138 WeakPolarHBondContact O-CG 3.44Å; P134-L138 PolarHBondContact O-N 3.22Å; L138-E141 WeakPolarHBondContact O-CB 3.3Å; L138-E141 PolarHBondContact O-N 2.92Å; L138-L142 PolarHBondContact O-N 2.7Å
139	Q	98.6	Very high	97.9	Very high	132 Å²	132	71.3 Å²	71.3	62%	0.617	35%	0.353	S	S	*	.	H	α-helix	trans	-65.6	-41.5	172.9	-74.4	176	11	0	0	111.7	E135 E136 E141 L142 L143	E135-Q139 WeakPolarHBondContact O-CB 3.38Å; E135-Q139 VanDerWaalsContact O-CG 3.26Å; E135-Q139 WeakPolarHBondContact O-CG 3.4Å; E135-Q139 PolarHBondContact O-N 3.16Å; E136-Q139 PolarHBondContact O-N 3.4Å; Q139-E141 VanDerWaalsContact C-N 3.31Å; Q139-L142 PolarHBondContact O-N 3.05Å; Q139-L143 PolarHBondContact O-N 3.28Å; Q139-L143 VanDerWaalsContact O-N 3.15Å
140	M	98.6	Very high	98	Very high	6 Å²	6	72.8 Å²	72.8	3%	0.03	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-33.8	177.3	-168.4	68.1	-169.4	0	0	111.5	F88 L94 L101 L102 T105 E136 L137 L143 L144	F88-M140 HydrophobicContact CE1-CE 3.84Å; F88-M140 HydrophobicContact CE2-CE 4.16Å; F88-M140 HydrophobicContact CZ-CE 3.61Å; L94-M140 HydrophobicContact CD1-CE 4.45Å; L101-M140 HydrophobicContact CD1-CB 4.31Å; L101-M140 HydrophobicContact CD2-CB 4.28Å; L101-M140 HydrophobicContact CD2-CG 4.43Å; L101-M140 HydrophobicContact CG-CB 4.12Å; L101-M140 HydrophobicContact CG-CG 4.09Å; L102-M140 HydrophobicContact CB-CE 4Å; L102-M140 HydrophobicContact CD1-CE 3.51Å; L102-M140 HydrophobicContact CG-CE 4.27Å; T105-M140 HydrophobicContact CG2-CB 4.15Å; T105-M140 HydrophobicContact CG2-CG 4.06Å; T105-M140 WeakPolarHBondContact OG1-CB 3.44Å; T105-M140 WeakPolarHBondContact OG1-CG 3.22Å; E136-M140 VanDerWaalsContact O-CB 3.3Å; E136-M140 WeakPolarHBondContact O-CB 3.21Å; E136-M140 PolarHBondContact O-N 3.43Å; L137-M140 PolarHBondContact O-N 3.46Å; M140-L143 HydrophobicContact CE-CD2 4.37Å; M140-L143 PolarHBondContact O-N 3.04Å; M140-L143 HydrophobicContact SD-CD2 4Å; M140-L144 VanDerWaalsContact O-CB 3.32Å; M140-L144 WeakPolarHBondContact O-CB 3.42Å; M140-L144 PolarHBondContact O-N 3.2Å
141	E	98.8	Very high	98.1	Very high	30 Å²	30	70.3 Å²	70.3	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-58.2	-50.9	173.3	169.8	175	-131.3	0	0	111.1	T105 F108 V109 K112 L137 L138 Q139 L143 L144 V145	T105-E141 HydrophobicContact CG2-CB 3.94Å; T105-E141 VanDerWaalsContact CG2-N 3.32Å; F108-E141 WeakPolarHBondContact CE1-OE2 3.38Å; V109-E141 HydrophobicContact CG2-CG 3.89Å; K112-E141 VanDerWaalsContact NZ-CD 3.31Å; K112-E141 IonicContact NZ-OE1 3.76Å; K112-E141 PolarHBondContact NZ-OE1 3.21Å; K112-E141 IonicContact NZ-OE2 3.36Å; K112-E141 PolarHBondContact NZ-OE2 3.43Å; L137-E141 PolarHBondContact O-N 3.12Å; L138-E141 WeakPolarHBondContact O-CB 3.3Å; L138-E141 PolarHBondContact O-N 2.92Å; Q139-E141 VanDerWaalsContact C-N 3.31Å; E141-L143 VanDerWaalsContact C-N 3.25Å; E141-L143 PolarHBondContact O-N 3.29Å; E141-L144 PolarHBondContact O-N 3.44Å; E141-V145 HydrophobicContact CG-CG2 4.29Å; E141-V145 WeakPolarHBondContact O-CG2 3.34Å; E141-V145 PolarHBondContact O-N 3.43Å
142	L	98.6	Very high	98.2	Very high	108 Å²	108	67.7 Å²	67.7	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-59	-40.5	177.8	-67.9	173.4	0	0	0	111.3	L138 Q139 N146	L138-L142 PolarHBondContact O-N 2.7Å; Q139-L142 PolarHBondContact O-N 3.05Å; L142-N146 VanDerWaalsContact O-CB 3.23Å; L142-N146 WeakPolarHBondContact O-CB 3.4Å; L142-N146 PolarHBondContact O-N 3.36Å; L142-N146 PolarHBondContact O-ND2 3.18Å
143	L	98.6	Very high	98.1	Very high	70 Å²	70	70.2 Å²	70.2	37%	0.366	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-48.6	176.4	-178.6	61.4	0	0	0	111.6	F88 Q139 M140 E141 N146 K147	F88-L143 HydrophobicContact CE2-CD2 4.45Å; F88-L143 HydrophobicContact CE2-CG 4.09Å; F88-L143 HydrophobicContact CZ-CD2 4.04Å; F88-L143 HydrophobicContact CZ-CG 4.17Å; Q139-L143 PolarHBondContact O-N 3.28Å; Q139-L143 VanDerWaalsContact O-N 3.15Å; M140-L143 HydrophobicContact CE-CD2 4.37Å; M140-L143 PolarHBondContact O-N 3.04Å; M140-L143 HydrophobicContact SD-CD2 4Å; E141-L143 VanDerWaalsContact C-N 3.25Å; E141-L143 PolarHBondContact O-N 3.29Å; L143-N146 PolarHBondContact O-N 2.84Å; L143-K147 HydrophobicContact CD1-CG 3.94Å; L143-K147 HydrophobicContact CG-CG 4.37Å; L143-K147 WeakPolarHBondContact O-CB 3.3Å; L143-K147 WeakPolarHBondContact O-CG 3.29Å; L143-K147 PolarHBondContact O-N 3.04Å
144	L	98.8	Very high	98	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.1	-56.4	-179.6	175.9	62.4	0	0	0	110.7	F88 L102 T105 V109 M140 E141 N146 K147 L148	F88-L144 HydrophobicContact CB-CD1 3.84Å; F88-L144 HydrophobicContact CD2-CD1 3.54Å; F88-L144 HydrophobicContact CE2-CD1 4.44Å; F88-L144 HydrophobicContact CG-CD1 3.99Å; L102-L144 HydrophobicContact CD1-CD1 4.14Å; T105-L144 HydrophobicContact CG2-CB 4.23Å; T105-L144 HydrophobicContact CG2-CD2 3.8Å; V109-L144 HydrophobicContact CB-CD2 4.4Å; V109-L144 HydrophobicContact CG2-CD2 4.04Å; M140-L144 VanDerWaalsContact O-CB 3.32Å; M140-L144 WeakPolarHBondContact O-CB 3.42Å; M140-L144 PolarHBondContact O-N 3.2Å; E141-L144 PolarHBondContact O-N 3.44Å; L144-N146 VanDerWaalsContact C-N 3.32Å; L144-N146 PolarHBondContact O-N 2.93Å; L144-K147 PolarHBondContact O-N 3.49Å; L144-L148 HydrophobicContact CD1-CD1 3.8Å; L144-L148 HydrophobicContact CD1-CG 4.1Å; L144-L148 HydrophobicContact CG-CD1 4.23Å; L144-L148 WeakPolarHBondContact O-CG 3.41Å; L144-L148 PolarHBondContact O-N 2.92Å
145	V	98.6	Very high	97.8	Very high	9 Å²	9	62.7 Å²	62.7	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-40.3	-175.4	178	0	0	0	0	111.1	V109 E141 L148 K149 W150 L152	V109-V145 HydrophobicContact CG1-CG2 4.22Å; V109-V145 HydrophobicContact CG2-CG2 4.13Å; E141-V145 HydrophobicContact CG-CG2 4.29Å; E141-V145 WeakPolarHBondContact O-CG2 3.34Å; E141-V145 PolarHBondContact O-N 3.43Å; V145-L148 CarbonylContact O-C 3.5Å; V145-L148 PolarHBondContact O-N 3.04Å; V145-K149 PolarHBondContact O-N 3.42Å; V145-K149 VanDerWaalsContact O-N 3.08Å; V145-W150 HydrophobicContact CG1-CB 4.33Å; V145-W150 HydrophobicContact CG1-CD2 3.34Å; V145-W150 HydrophobicContact CG1-CE3 3.63Å; V145-W150 HydrophobicContact CG1-CG 3.68Å; V145-W150 HydrophobicContact CG1-CH2 4.26Å; V145-W150 HydrophobicContact CG1-CZ2 4.01Å; V145-W150 HydrophobicContact CG1-CZ3 4.08Å; V145-W150 PolarHBondContact O-N 3.07Å; V145-L152 HydrophobicContact CG1-CD1 4.09Å; V145-L152 HydrophobicContact CG1-CD2 4.5Å; V145-L152 HydrophobicContact CG2-CD1 4.15Å; V145-L152 HydrophobicContact CG2-CD2 4.33Å
146	N	98.3	Very high	97.7	Very high	92 Å²	92	58 Å²	58	49%	0.492	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-40.4	176.8	-75.4	-40.2	0	0	0	112.6	L142 L143 L144 L148 K149 W150	L142-N146 VanDerWaalsContact O-CB 3.23Å; L142-N146 WeakPolarHBondContact O-CB 3.4Å; L142-N146 PolarHBondContact O-N 3.36Å; L142-N146 PolarHBondContact O-ND2 3.18Å; L143-N146 PolarHBondContact O-N 2.84Å; L144-N146 VanDerWaalsContact C-N 3.32Å; L144-N146 PolarHBondContact O-N 2.93Å; N146-L148 VanDerWaalsContact C-N 3.31Å; N146-L148 PolarHBondContact O-N 3.3Å; N146-K149 WeakPolarHBondContact O-CA 3.24Å; N146-K149 PolarHBondContact O-N 2.91Å; N146-W150 PolarHBondContact OD1-NE1 2.65Å; N146-W150 VanDerWaalsContact OD1-NE1 3.13Å
147	K	98.3	Very high	97.6	Very high	75 Å²	75	57.6 Å²	57.6	33%	0.326	29%	0.289	S	S	.	.	H	α-helix	trans	-66.1	-35.7	176.1	-70.8	-68.2	178.6	176.4	0	112	F88 L91 E92 L143 L144 K149	F88-K147 HydrophobicContact CD2-CB 4.1Å; F88-K147 HydrophobicContact CD2-CG 4.48Å; F88-K147 HydrophobicContact CE2-CB 4Å; F88-K147 HydrophobicContact CE2-CG 3.9Å; L91-K147 WeakPolarHBondContact CD1-O 3.28Å; E92-K147 VanDerWaalsContact CD-CE 3.45Å; E92-K147 VanDerWaalsContact CD-NZ 3.3Å; E92-K147 HydrophobicContact CG-CD 3.76Å; E92-K147 HydrophobicContact CG-CG 4.08Å; E92-K147 WeakPolarHBondContact OE1-CD 3.32Å; E92-K147 WeakPolarHBondContact OE1-CE 3.34Å; E92-K147 IonicContact OE1-NZ 3.1Å; E92-K147 PolarHBondContact OE1-NZ 3.08Å; E92-K147 IonicContact OE2-NZ 2.63Å; L143-K147 HydrophobicContact CD1-CG 3.94Å; L143-K147 HydrophobicContact CG-CG 4.37Å; L143-K147 WeakPolarHBondContact O-CB 3.3Å; L143-K147 WeakPolarHBondContact O-CG 3.29Å; L143-K147 PolarHBondContact O-N 3.04Å; L144-K147 PolarHBondContact O-N 3.49Å; K147-K149 PolarHBondContact O-N 3.23Å
148	L	98.1	Very high	97.3	Very high	5 Å²	5	58 Å²	58	3%	0.026	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2.8	172.4	-59.7	-173	0	0	0	113.5	Y84 R87 L91 L144 V145 N146 W150 N151 L152	Y84-L148 HydrophobicContact CD1-CD1 3.75Å; Y84-L148 HydrophobicContact CG-CD1 4.06Å; R87-L148 HydrophobicContact CB-CD2 3.59Å; L91-L148 HydrophobicContact CD1-CD2 4.41Å; L144-L148 HydrophobicContact CD1-CD1 3.8Å; L144-L148 HydrophobicContact CD1-CG 4.1Å; L144-L148 HydrophobicContact CG-CD1 4.23Å; L144-L148 WeakPolarHBondContact O-CG 3.41Å; L144-L148 PolarHBondContact O-N 2.92Å; V145-L148 CarbonylContact O-C 3.5Å; V145-L148 PolarHBondContact O-N 3.04Å; N146-L148 VanDerWaalsContact C-N 3.31Å; N146-L148 PolarHBondContact O-N 3.3Å; L148-W150 PolarHBondContact O-N 3.2Å; L148-N151 WeakPolarHBondContact O-CB 3.45Å; L148-N151 PolarHBondContact O-N 2.86Å; L148-L152 HydrophobicContact CD1-CD2 4.23Å
149	K	98	Very high	97	Very high	180 Å²	180	56.3 Å²	56.3	78%	0.783	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	37.2	-179.1	-56.4	-179.2	-179.1	177.9	0	112.9	V145 N146 K147 N151	V145-K149 PolarHBondContact O-N 3.42Å; V145-K149 VanDerWaalsContact O-N 3.08Å; N146-K149 WeakPolarHBondContact O-CA 3.24Å; N146-K149 PolarHBondContact O-N 2.91Å; K147-K149 PolarHBondContact O-N 3.23Å; K149-N151 PolarHBondContact O-N 3.14Å
150	W	97.9	Very high	96.9	Very high	176 Å²	176	51 Å²	51	67%	0.667	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	11.7	-176.7	-62.4	72.3	0	0	0	114.5	V145 N146 L148 L152	V145-W150 HydrophobicContact CG1-CB 4.33Å; V145-W150 HydrophobicContact CG1-CD2 3.34Å; V145-W150 HydrophobicContact CG1-CE3 3.63Å; V145-W150 HydrophobicContact CG1-CG 3.68Å; V145-W150 HydrophobicContact CG1-CH2 4.26Å; V145-W150 HydrophobicContact CG1-CZ2 4.01Å; V145-W150 HydrophobicContact CG1-CZ3 4.08Å; V145-W150 PolarHBondContact O-N 3.07Å; N146-W150 PolarHBondContact OD1-NE1 2.65Å; N146-W150 VanDerWaalsContact OD1-NE1 3.13Å; L148-W150 PolarHBondContact O-N 3.2Å; W150-L152 PolarHBondContact O-N 3.39Å
151	N	97.1	Very high	96.7	Very high	54 Å²	54	51.8 Å²	51.8	29%	0.289	26%	0.262	S	S	.	.			trans	-80.3	72.6	174	-171.6	13.2	0	0	0	109.8	T37 C38 R87 L148 K149	T37-N151 PolarHBondContact OG1-ND2 2.97Å; C38-N151 PolarHBondContact SG-ND2 3.47Å; R87-N151 PolarHBondContact NH1-O 3.27Å; R87-N151 PolarHBondContact NH2-O 3.32Å; L148-N151 WeakPolarHBondContact O-CB 3.45Å; L148-N151 PolarHBondContact O-N 2.86Å; K149-N151 PolarHBondContact O-N 3.14Å
152	L	97.3	Very high	96.3	Very high	17 Å²	17	53.8 Å²	53.8	9%	0.089	27%	0.271	C	S	.	.			trans	-94.1	-21.7	-175.8	-58.5	-177.9	0	0	0	112.7	Y84 V109 M113 V145 L148 W150 A154	Y84-L152 HydrophobicContact CE1-CB 4.41Å; Y84-L152 HydrophobicContact CE1-CD2 4.12Å; Y84-L152 WeakPolarHBondContact OH-CB 3.32Å; Y84-L152 PolarHBondContact OH-O 2.89Å; V109-L152 HydrophobicContact CG1-CD1 3.83Å; V109-L152 HydrophobicContact CG1-CD2 4.02Å; V109-L152 HydrophobicContact CG1-CG 4.49Å; M113-L152 HydrophobicContact CE-CB 4.11Å; M113-L152 HydrophobicContact CG-CB 4.35Å; M113-L152 HydrophobicContact SD-CB 4.15Å; M113-L152 HydrophobicContact SD-CD1 4.23Å; V145-L152 HydrophobicContact CG1-CD1 4.09Å; V145-L152 HydrophobicContact CG1-CD2 4.5Å; V145-L152 HydrophobicContact CG2-CD1 4.15Å; V145-L152 HydrophobicContact CG2-CD2 4.33Å; L148-L152 HydrophobicContact CD1-CD2 4.23Å; W150-L152 PolarHBondContact O-N 3.39Å; L152-A154 PolarHBondContact O-N 3.46Å
153	A	94.8	Very high	96	Very high	68 Å²	68	48.8 Å²	48.8	56%	0.562	25%	0.245	S	C	*	.			trans	-78.2	54.1	178.9	0	0	0	0	0	112.1
154	A	95.4	Very high	95.8	Very high	6 Å²	6	50.4 Å²	50.4	5%	0.05	25%	0.249	C	C	.	.			trans	-70.4	142.9	175.1	0	0	0	0	0	110.6	C38 L80 N83 L152	C38-A154 HydrophobicContact CB-CB 3.68Å; L80-A154 HydrophobicContact CD1-CB 3.88Å; N83-A154 WeakPolarHBondContact OD1-CB 3.32Å; L152-A154 PolarHBondContact O-N 3.46Å
155	M	94.8	Very high	95.5	Very high	38 Å²	38	50.6 Å²	50.6	19%	0.187	25%	0.25	C	C	.	.			trans	-68.4	137.6	171.1	-59.7	-51.2	-50	0	0	109.7	M31 T34 E35 D159 F160	M31-M155 HydrophobicContact CB-CE 3.81Å; M31-M155 HydrophobicContact CB-CG 4.32Å; M31-M155 HydrophobicContact CB-SD 4.14Å; M31-M155 HydrophobicContact CE-CE 3.59Å; M31-M155 HydrophobicContact CG-CE 3.55Å; M31-M155 HydrophobicContact CG-SD 4.13Å; M31-M155 VanDerWaalsContact O-CG 3.27Å; M31-M155 WeakPolarHBondContact O-CG 3.43Å; M31-M155 HydrophobicContact SD-CE 4.33Å; T34-M155 HydrophobicContact CG2-CG 3.98Å; T34-M155 HydrophobicContact CG2-SD 4.17Å; E35-M155 HydrophobicContact CB-CB 4.26Å; E35-M155 HydrophobicContact CB-CG 4.34Å; M155-D159 HydrophobicContact CE-CB 3.36Å; M155-F160 HydrophobicContact CB-CE2 3.84Å; M155-F160 HydrophobicContact CB-CZ 4.33Å
156	T	95.6	Very high	95.2	Very high	4 Å²	4	52.5 Å²	52.5	3%	0.025	26%	0.263	C	S	.	.			trans	-108.8	157.3	174.4	69.1	0	0	0	0	109.7	E76 L80 H158 D159 F160	E76-T156 HydrophobicContact CB-CG2 4.46Å; L80-T156 HydrophobicContact CB-CG2 4Å; L80-T156 HydrophobicContact CD1-CG2 4.29Å; T156-H158 PolarHBondContact O-N 3.31Å; T156-H158 VanDerWaalsContact O-N 3.15Å; T156-D159 WeakPolarHBondContact CA-OD2 3.01Å; T156-D159 WeakPolarHBondContact CB-OD2 3.41Å; T156-D159 PolarHBondContact N-OD2 3.5Å; T156-D159 WeakPolarHBondContact O-CB 3.23Å; T156-D159 PolarHBondContact O-N 3.15Å; T156-D159 VanDerWaalsContact O-N 3.08Å; T156-D159 PolarHBondContact OG1-OD2 3.17Å; T156-F160 WeakPolarHBondContact O-CD2 3.18Å
157	P	96.1	Very high	94.8	Very high	59 Å²	59	53.2 Å²	53.2	38%	0.383	26%	0.262	S	S	.	.	H	α-helix	trans	-55.7	-31	174.3	-28.2	37.6	0	0	0	113.4	D159 F160 I161 V186	P157-D159 VanDerWaalsContact C-N 3.33Å; P157-D159 PolarHBondContact O-N 2.99Å; P157-F160 PolarHBondContact O-N 3.25Å; P157-I161 WeakPolarHBondContact O-CG1 3.27Å; P157-I161 PolarHBondContact O-N 3.35Å; P157-V186 HydrophobicContact CB-CB 4.39Å; P157-V186 HydrophobicContact CB-CG1 3.87Å; P157-V186 HydrophobicContact CB-CG2 3.55Å; P157-V186 HydrophobicContact CG-CG1 3.87Å; P157-V186 HydrophobicContact CG-CG2 4.3Å
158	H	93.1	Very high	94.6	Very high	9 Å²	9	53.6 Å²	53.6	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-39.9	176.3	-66.1	101.7	0	0	0	113.2	E75 E76 T156 F160 I161 E162 Q183	E75-H158 PolarHBondContact O-CE1 3.44Å; E76-H158 HydrophobicContact CG-CB 3.67Å; T156-H158 PolarHBondContact O-N 3.31Å; T156-H158 VanDerWaalsContact O-N 3.15Å; H158-F160 PolarHBondContact O-N 3.29Å; H158-I161 PolarHBondContact O-N 3.48Å; H158-E162 PolarHBondContact O-N 3.11Å; H158-E162 VanDerWaalsContact O-N 3.12Å; H158-Q183 WeakPolarHBondContact NE2-CG 3.31Å
159	D	92.4	Very high	94.4	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-36.7	178.4	-54.9	-68	0	0	0	110.7	M31 K114 M155 T156 P157 H163	M31-D159 VanDerWaalsContact CE-C 3.48Å; M31-D159 HydrophobicContact CE-CB 3.73Å; M31-D159 WeakPolarHBondContact CE-O 3.47Å; K114-D159 IonicContact NZ-OD1 2.7Å; M155-D159 HydrophobicContact CE-CB 3.36Å; T156-D159 WeakPolarHBondContact CA-OD2 3.01Å; T156-D159 WeakPolarHBondContact CB-OD2 3.41Å; T156-D159 PolarHBondContact N-OD2 3.5Å; T156-D159 WeakPolarHBondContact O-CB 3.23Å; T156-D159 PolarHBondContact O-N 3.15Å; T156-D159 VanDerWaalsContact O-N 3.08Å; T156-D159 PolarHBondContact OG1-OD2 3.17Å; P157-D159 VanDerWaalsContact C-N 3.33Å; P157-D159 PolarHBondContact O-N 2.99Å; D159-H163 PolarHBondContact O-N 3.46Å
160	F	95	Very high	94.2	Very high	19 Å²	19	55.2 Å²	55.2	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-77.8	-36.6	176.2	-65.2	-81.4	0	0	0	113.2	L28 M31 L32 M155 T156 P157 H158 E162 H163 F164	L28-F160 HydrophobicContact CD1-CD1 3.77Å; L28-F160 HydrophobicContact CD1-CE1 3.88Å; M31-F160 HydrophobicContact CB-CE1 3.85Å; M31-F160 HydrophobicContact CB-CZ 3.96Å; M31-F160 HydrophobicContact CE-CD1 3.76Å; M31-F160 HydrophobicContact CE-CD2 4.44Å; M31-F160 HydrophobicContact CE-CE1 3.95Å; M31-F160 HydrophobicContact CE-CG 4.03Å; M31-F160 HydrophobicContact CE-CZ 4.39Å; L32-F160 HydrophobicContact CD2-CE1 3.78Å; L32-F160 HydrophobicContact CD2-CZ 4.15Å; L32-F160 HydrophobicContact CG-CE1 4.16Å; M155-F160 HydrophobicContact CB-CE2 3.84Å; M155-F160 HydrophobicContact CB-CZ 4.33Å; T156-F160 WeakPolarHBondContact O-CD2 3.18Å; P157-F160 PolarHBondContact O-N 3.25Å; H158-F160 PolarHBondContact O-N 3.29Å; F160-E162 VanDerWaalsContact C-N 3.34Å; F160-E162 PolarHBondContact O-N 3.2Å; F160-H163 WeakPolarHBondContact O-CB 3.29Å; F160-H163 PolarHBondContact O-N 3.12Å; F160-H163 VanDerWaalsContact O-N 3.16Å; F160-F164 HydrophobicContact CB-CD2 4.38Å; F160-F164 HydrophobicContact CB-CE2 3.83Å; F160-F164 HydrophobicContact CB-CZ 4.17Å; F160-F164 HydrophobicContact CD1-CZ 4.44Å; F160-F164 WeakPolarHBondContact O-CD2 3.49Å; F160-F164 VanDerWaalsContact O-CG 3.23Å; F160-F164 WeakPolarHBondContact O-CG 3.45Å; F160-F164 PolarHBondContact O-N 3.13Å
161	I	94.5	Very high	94	Very high	24 Å²	24	49.6 Å²	49.6	12%	0.123	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-48.6	176.3	-73.2	164.6	0	0	0	110.2	P157 H158 H163 F164 L165 A182 V186	P157-I161 WeakPolarHBondContact O-CG1 3.27Å; P157-I161 PolarHBondContact O-N 3.35Å; H158-I161 PolarHBondContact O-N 3.48Å; I161-H163 VanDerWaalsContact C-N 3.3Å; I161-H163 PolarHBondContact O-N 3.03Å; I161-F164 PolarHBondContact O-N 3.28Å; I161-L165 HydrophobicContact CG2-CD1 3.69Å; I161-L165 HydrophobicContact CG2-CG 4.19Å; I161-L165 WeakPolarHBondContact O-CB 3.41Å; I161-L165 VanDerWaalsContact O-CG 3.29Å; I161-L165 WeakPolarHBondContact O-CG 3.36Å; I161-L165 PolarHBondContact O-N 2.89Å; I161-A182 HydrophobicContact CD1-CB 3.78Å; I161-A182 HydrophobicContact CG1-CB 4.3Å; I161-V186 HydrophobicContact CD1-CG2 3.84Å
162	E	90.9	Very high	93.7	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-38.4	177.8	-65.8	-50.2	125.6	0	0	111.9	H158 F160 S166 R179	H158-E162 PolarHBondContact O-N 3.11Å; H158-E162 VanDerWaalsContact O-N 3.12Å; F160-E162 VanDerWaalsContact C-N 3.34Å; F160-E162 PolarHBondContact O-N 3.2Å; E162-S166 WeakPolarHBondContact O-CB 3.33Å; E162-S166 PolarHBondContact O-N 3.46Å; E162-R179 WeakPolarHBondContact OE1-CD 3.16Å; E162-R179 IonicContact OE1-CZ 3.55Å; E162-R179 IonicContact OE1-NE 3.69Å; E162-R179 PolarHBondContact OE1-NE 3.17Å; E162-R179 IonicContact OE1-NH2 3.5Å; E162-R179 IonicContact OE2-CZ 3.71Å; E162-R179 IonicContact OE2-NE 2.88Å; E162-R179 IonicContact OE2-NH2 2.75Å; E162-R179 PolarHBondContact OE2-NH2 3.31Å
163	H	92.6	Very high	93.5	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.019	33%	0.329	C	S	.	.	H	α-helix	trans	-60.4	-47.3	174.2	-164.5	93.2	0	0	0	111.7	L23 D159 F160 I161 S166	L23-H163 PolarHBondContact O-CE1 2.6Å; D159-H163 PolarHBondContact O-N 3.46Å; F160-H163 WeakPolarHBondContact O-CB 3.29Å; F160-H163 PolarHBondContact O-N 3.12Å; F160-H163 VanDerWaalsContact O-N 3.16Å; I161-H163 VanDerWaalsContact C-N 3.3Å; I161-H163 PolarHBondContact O-N 3.03Å; H163-S166 PolarHBondContact O-N 3.23Å; H163-S166 PolarHBondContact O-OG 3.08Å
164	F	94.2	Very high	93.6	Very high	103 Å²	103	59.9 Å²	59.9	45%	0.452	32%	0.32	S	S	.	.	H	α-helix	trans	-67.6	-44.2	179.8	-59.9	-35.9	0	0	0	112.3	F160 I161 S166 K167 M168	F160-F164 HydrophobicContact CB-CD2 4.38Å; F160-F164 HydrophobicContact CB-CE2 3.83Å; F160-F164 HydrophobicContact CB-CZ 4.17Å; F160-F164 HydrophobicContact CD1-CZ 4.44Å; F160-F164 WeakPolarHBondContact O-CD2 3.49Å; F160-F164 VanDerWaalsContact O-CG 3.23Å; F160-F164 WeakPolarHBondContact O-CG 3.45Å; F160-F164 PolarHBondContact O-N 3.13Å; I161-F164 PolarHBondContact O-N 3.28Å; F164-S166 PolarHBondContact O-N 3.23Å; F164-K167 PolarHBondContact O-N 3.37Å; F164-M168 HydrophobicContact CB-CE 4.25Å; F164-M168 WeakPolarHBondContact O-CG 3.43Å; F164-M168 PolarHBondContact O-N 3.4Å
165	L	93.3	Very high	93.5	Very high	5 Å²	5	61.2 Å²	61.2	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-33.6	176.4	-72.3	175	0	0	0	112.1	I161 K167 M168 K175 I178 R179	I161-L165 HydrophobicContact CG2-CD1 3.69Å; I161-L165 HydrophobicContact CG2-CG 4.19Å; I161-L165 WeakPolarHBondContact O-CB 3.41Å; I161-L165 VanDerWaalsContact O-CG 3.29Å; I161-L165 WeakPolarHBondContact O-CG 3.36Å; I161-L165 PolarHBondContact O-N 2.89Å; L165-K167 PolarHBondContact O-N 3.36Å; L165-M168 HydrophobicContact CD2-SD 4.11Å; L165-M168 PolarHBondContact O-N 3.27Å; L165-K175 HydrophobicContact CD2-CB 4.26Å; L165-K175 HydrophobicContact CD2-CG 4.21Å; L165-K175 WeakPolarHBondContact O-CE 3.43Å; L165-K175 PolarHBondContact O-NZ 3Å; L165-I178 HydrophobicContact CD2-CB 4.15Å; L165-I178 HydrophobicContact CD2-CG2 3.79Å; L165-R179 HydrophobicContact CD1-CB 3.91Å; L165-R179 HydrophobicContact CD1-CG 4.42Å
166	S	90.9	Very high	93.4	Very high	48 Å²	48	65.8 Å²	65.8	34%	0.336	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-27.8	176.3	81.7	0	0	0	0	113.5	E162 H163 F164	E162-S166 WeakPolarHBondContact O-CB 3.33Å; E162-S166 PolarHBondContact O-N 3.46Å; H163-S166 PolarHBondContact O-N 3.23Å; H163-S166 PolarHBondContact O-OG 3.08Å; F164-S166 PolarHBondContact O-N 3.23Å
167	K	91.1	Very high	93.4	Very high	108 Å²	108	70 Å²	70	47%	0.47	37%	0.367	S	S	.	.	H	α-helix	trans	-93.9	-13.1	-179.2	-56.4	-70.4	175.4	167.9	0	112.9	L23 D25 F164 L165	L23-K167 WeakPolarHBondContact O-CE 3.27Å; L23-K167 PolarHBondContact O-NZ 2.91Å; L23-K167 VanDerWaalsContact O-NZ 3.14Å; D25-K167 IonicContact OD1-NZ 3.52Å; D25-K167 PolarHBondContact OD1-NZ 3.26Å; D25-K167 VanDerWaalsContact OD1-NZ 3.1Å; F164-K167 PolarHBondContact O-N 3.37Å; L165-K167 PolarHBondContact O-N 3.36Å
168	M	93.4	Very high	93.4	Very high	82 Å²	82	70.5 Å²	70.5	40%	0.404	37%	0.366	S	S	.	.	S	Bend	trans	-79.8	131.9	179.1	-71.9	175.7	-176.3	0	0	111.1	F164 L165 E170 K175	F164-M168 HydrophobicContact CB-CE 4.25Å; F164-M168 WeakPolarHBondContact O-CG 3.43Å; F164-M168 PolarHBondContact O-N 3.4Å; L165-M168 HydrophobicContact CD2-SD 4.11Å; L165-M168 PolarHBondContact O-N 3.27Å; M168-E170 HydrophobicContact CB-CG 4.3Å; M168-E170 PolarHBondContact O-N 3.41Å; M168-K175 WeakPolarHBondContact O-CE 3.35Å; M168-K175 PolarHBondContact O-NZ 3.1Å
169	P	93.9	Very high	93.5	Very high	135 Å²	135	73.1 Å²	73.1	88%	0.877	38%	0.375	S	S	*	.			trans	-80.7	49.8	177.8	36.4	-36.8	0	0	0	111.7
170	E	93.9	Very high	93.6	Very high	84 Å²	84	77.9 Å²	77.9	39%	0.393	39%	0.394	S	S	.	.			trans	-103.5	152.3	179.4	-70.3	-62.1	150.6	0	0	111.3	M168 N174 K175 I178	M168-E170 HydrophobicContact CB-CG 4.3Å; M168-E170 PolarHBondContact O-N 3.41Å; E170-N174 HydrophobicContact CB-CB 4.28Å; E170-N174 PolarHBondContact OE2-ND2 3Å; E170-K175 HydrophobicContact CB-CG 3.87Å; E170-K175 WeakPolarHBondContact O-CE 3.49Å; E170-I178 HydrophobicContact CG-CD1 4.29Å
171	A	94.4	Very high	93.6	Very high	59 Å²	59	82.1 Å²	82.1	49%	0.488	41%	0.414	S	S	.	.			trans	-66.1	152.5	170.3	0	0	0	0	0	111.1	E173 N174 K175	A171-E173 VanDerWaalsContact C-N 3.25Å; A171-E173 PolarHBondContact O-N 3.23Å; A171-N174 WeakPolarHBondContact O-CB 3.06Å; A171-N174 PolarHBondContact O-N 2.93Å; A171-K175 PolarHBondContact O-N 2.83Å
172	D	90.7	Very high	93.7	Very high	131 Å²	131	82.1 Å²	82.1	70%	0.701	42%	0.417	S	S	*	.	H	α-helix	trans	-60.4	-34.6	-176.8	-72.3	-32.1	0	0	0	113	K175 Q176	D172-K175 PolarHBondContact O-N 2.94Å; D172-Q176 PolarHBondContact O-N 3.06Å
173	E	93.5	Very high	93.9	Very high	152 Å²	152	80.3 Å²	80.3	71%	0.71	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-46.1	174.1	-63.3	177.6	-178.3	0	0	111.5	A171 Q176 I177	A171-E173 VanDerWaalsContact C-N 3.25Å; A171-E173 PolarHBondContact O-N 3.23Å; E173-Q176 PolarHBondContact O-N 2.85Å; E173-I177 WeakPolarHBondContact O-CG1 3.45Å; E173-I177 PolarHBondContact O-N 3.36Å
174	N	95.1	Very high	94	Very high	72 Å²	72	83.8 Å²	83.8	39%	0.385	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-43.1	175.7	-72.2	-1.9	0	0	0	111	E170 A171 Q176 I177 I178	E170-N174 HydrophobicContact CB-CB 4.28Å; E170-N174 PolarHBondContact OE2-ND2 3Å; A171-N174 WeakPolarHBondContact O-CB 3.06Å; A171-N174 PolarHBondContact O-N 2.93Å; N174-Q176 PolarHBondContact O-N 3.05Å; N174-I177 PolarHBondContact O-N 3.33Å; N174-I177 VanDerWaalsContact O-N 3.17Å; N174-I178 VanDerWaalsContact O-CG1 3.27Å; N174-I178 WeakPolarHBondContact O-CG1 3.31Å; N174-I178 PolarHBondContact O-N 3.02Å
175	K	93.8	Very high	94.1	Very high	33 Å²	33	85.2 Å²	85.2	14%	0.143	44%	0.437	C	S	.	.	H	α-helix	trans	-59.7	-36.3	176.9	-70	-178.9	177.1	178.1	0	111.7	L165 M168 E170 A171 D172 R179	L165-K175 HydrophobicContact CD2-CB 4.26Å; L165-K175 HydrophobicContact CD2-CG 4.21Å; L165-K175 WeakPolarHBondContact O-CE 3.43Å; L165-K175 PolarHBondContact O-NZ 3Å; M168-K175 WeakPolarHBondContact O-CE 3.35Å; M168-K175 PolarHBondContact O-NZ 3.1Å; E170-K175 HydrophobicContact CB-CG 3.87Å; E170-K175 WeakPolarHBondContact O-CE 3.49Å; A171-K175 PolarHBondContact O-N 2.83Å; D172-K175 PolarHBondContact O-N 2.94Å; K175-R179 WeakPolarHBondContact O-CB 3.2Å; K175-R179 PolarHBondContact O-N 2.94Å
176	Q	93.1	Very high	94.3	Very high	134 Å²	134	86 Å²	86	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-67.2	-39.9	177.2	-161.3	172.2	6.9	0	0	112.3	D172 E173 N174 K180	D172-Q176 PolarHBondContact O-N 3.06Å; E173-Q176 PolarHBondContact O-N 2.85Å; N174-Q176 PolarHBondContact O-N 3.05Å; Q176-K180 PolarHBondContact O-N 2.7Å; Q176-K180 VanDerWaalsContact O-N 3.07Å
177	I	95.5	Very high	94.4	Very high	94 Å²	94	84.5 Å²	84.5	48%	0.482	43%	0.432	S	S	.	.	H	α-helix	trans	-66.3	-47.3	174.6	-63.6	167	0	0	0	110.7	E173 N174 R179 K180 H181	E173-I177 WeakPolarHBondContact O-CG1 3.45Å; E173-I177 PolarHBondContact O-N 3.36Å; N174-I177 PolarHBondContact O-N 3.33Å; N174-I177 VanDerWaalsContact O-N 3.17Å; I177-R179 VanDerWaalsContact C-N 3.34Å; I177-R179 PolarHBondContact O-N 3.29Å; I177-K180 PolarHBondContact O-N 2.86Å; I177-H181 PolarHBondContact O-CD2 3.21Å; I177-H181 VanDerWaalsContact O-CD2 3.23Å; I177-H181 PolarHBondContact O-N 3.45Å; I177-H181 VanDerWaalsContact O-N 3.08Å
178	I	96.1	Very high	94.5	Very high	68 Å²	68	84.3 Å²	84.3	35%	0.349	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-47.2	177.8	-66.2	164.5	0	0	0	110.3	L165 E170 N174 K180 H181 A182	L165-I178 HydrophobicContact CD2-CB 4.15Å; L165-I178 HydrophobicContact CD2-CG2 3.79Å; E170-I178 HydrophobicContact CG-CD1 4.29Å; N174-I178 VanDerWaalsContact O-CG1 3.27Å; N174-I178 WeakPolarHBondContact O-CG1 3.31Å; N174-I178 PolarHBondContact O-N 3.02Å; I178-K180 PolarHBondContact O-N 3.41Å; I178-H181 PolarHBondContact O-N 3.26Å; I178-A182 VanDerWaalsContact O-CB 3.31Å; I178-A182 WeakPolarHBondContact O-CB 3.48Å; I178-A182 PolarHBondContact O-N 3.07Å
179	R	95	Very high	94.5	Very high	65 Å²	65	85.7 Å²	85.7	25%	0.245	45%	0.452	C	S	.	.	H	α-helix	trans	-54.7	-53.3	176.8	-178	-174.3	-66.3	104.7	-1	110.8	E162 L165 K175 I177 H181 A182 Q183	E162-R179 WeakPolarHBondContact OE1-CD 3.16Å; E162-R179 IonicContact OE1-CZ 3.55Å; E162-R179 IonicContact OE1-NE 3.69Å; E162-R179 PolarHBondContact OE1-NE 3.17Å; E162-R179 IonicContact OE1-NH2 3.5Å; E162-R179 IonicContact OE2-CZ 3.71Å; E162-R179 IonicContact OE2-NE 2.88Å; E162-R179 IonicContact OE2-NH2 2.75Å; E162-R179 PolarHBondContact OE2-NH2 3.31Å; L165-R179 HydrophobicContact CD1-CB 3.91Å; L165-R179 HydrophobicContact CD1-CG 4.42Å; K175-R179 WeakPolarHBondContact O-CB 3.2Å; K175-R179 PolarHBondContact O-N 2.94Å; I177-R179 VanDerWaalsContact C-N 3.34Å; I177-R179 PolarHBondContact O-N 3.29Å; R179-H181 VanDerWaalsContact C-N 3.32Å; R179-H181 PolarHBondContact O-N 2.94Å; R179-A182 PolarHBondContact O-N 3.28Å; R179-A182 VanDerWaalsContact O-N 3.14Å; R179-Q183 HydrophobicContact CG-CG 4.28Å; R179-Q183 WeakPolarHBondContact O-CG 3.3Å; R179-Q183 PolarHBondContact O-N 3.34Å; R179-Q183 PolarHBondContact O-OE1 2.89Å
180	K	93.8	Very high	94.3	Very high	144 Å²	144	80 Å²	80	63%	0.626	42%	0.416	S	S	*	.	H	α-helix	trans	-55.8	-45.6	-179	-173.5	179.7	179.3	179.2	0	112.2	Q176 I177 I178 T184	Q176-K180 PolarHBondContact O-N 2.7Å; Q176-K180 VanDerWaalsContact O-N 3.07Å; I177-K180 PolarHBondContact O-N 2.86Å; I178-K180 PolarHBondContact O-N 3.41Å; K180-T184 PolarHBondContact O-N 3.1Å; K180-T184 PolarHBondContact O-OG1 2.74Å; K180-T184 VanDerWaalsContact O-OG1 3.13Å
181	H	96	Very high	93.6	Very high	108 Å²	108	78 Å²	78	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-68.3	-41.4	177.9	-69.9	-50.1	0	0	0	112.9	I177 I178 R179 Q183 T184 F185	I177-H181 PolarHBondContact O-CD2 3.21Å; I177-H181 VanDerWaalsContact O-CD2 3.23Å; I177-H181 PolarHBondContact O-N 3.45Å; I177-H181 VanDerWaalsContact O-N 3.08Å; I178-H181 PolarHBondContact O-N 3.26Å; R179-H181 VanDerWaalsContact C-N 3.32Å; R179-H181 PolarHBondContact O-N 2.94Å; H181-Q183 VanDerWaalsContact C-N 3.32Å; H181-Q183 PolarHBondContact O-N 2.93Å; H181-T184 WeakPolarHBondContact O-CB 3.28Å; H181-T184 PolarHBondContact O-N 3.46Å; H181-F185 HydrophobicContact CB-CE2 4.45Å; H181-F185 WeakPolarHBondContact O-CD2 3.22Å; H181-F185 PolarHBondContact O-N 3Å
182	A	97.1	Very high	93.6	Very high	24 Å²	24	79 Å²	79	20%	0.198	41%	0.406	C	S	.	.	H	α-helix	trans	-61.3	-41.7	177.2	0	0	0	0	0	111.5	I161 I178 R179 T184 F185 V186	I161-A182 HydrophobicContact CD1-CB 3.78Å; I161-A182 HydrophobicContact CG1-CB 4.3Å; I178-A182 VanDerWaalsContact O-CB 3.31Å; I178-A182 WeakPolarHBondContact O-CB 3.48Å; I178-A182 PolarHBondContact O-N 3.07Å; R179-A182 PolarHBondContact O-N 3.28Å; R179-A182 VanDerWaalsContact O-N 3.14Å; A182-T184 PolarHBondContact O-N 2.94Å; A182-F185 PolarHBondContact O-N 3.29Å; A182-F185 VanDerWaalsContact O-N 3.16Å; A182-V186 WeakPolarHBondContact O-CG2 3.49Å; A182-V186 PolarHBondContact O-N 3.06Å
183	Q	94.8	Very high	93.7	Very high	34 Å²	34	76.2 Å²	76.2	16%	0.159	39%	0.391	C	S	.	.	H	α-helix	trans	-59.2	-45.3	175.4	-68.6	171.3	-44.1	0	0	111.7	H158 R179 H181 F185 V186 A187	H158-Q183 WeakPolarHBondContact NE2-CG 3.31Å; R179-Q183 HydrophobicContact CG-CG 4.28Å; R179-Q183 WeakPolarHBondContact O-CG 3.3Å; R179-Q183 PolarHBondContact O-N 3.34Å; R179-Q183 PolarHBondContact O-OE1 2.89Å; H181-Q183 VanDerWaalsContact C-N 3.32Å; H181-Q183 PolarHBondContact O-N 2.93Å; Q183-F185 VanDerWaalsContact C-N 3.33Å; Q183-F185 PolarHBondContact O-N 3.02Å; Q183-V186 WeakPolarHBondContact O-CB 3.43Å; Q183-V186 PolarHBondContact O-N 3.24Å; Q183-A187 PolarHBondContact O-N 3.26Å
184	T	94.4	Very high	93.7	Very high	76 Å²	76	72 Å²	72	47%	0.466	37%	0.373	S	S	.	.	H	α-helix	trans	-58.8	-44	173.7	-53.1	0	0	0	0	111.8	K180 H181 A182 V186 A187 L188	K180-T184 PolarHBondContact O-N 3.1Å; K180-T184 PolarHBondContact O-OG1 2.74Å; K180-T184 VanDerWaalsContact O-OG1 3.13Å; H181-T184 WeakPolarHBondContact O-CB 3.28Å; H181-T184 PolarHBondContact O-N 3.46Å; A182-T184 PolarHBondContact O-N 2.94Å; T184-V186 PolarHBondContact O-N 3.04Å; T184-A187 PolarHBondContact O-N 3.34Å; T184-L188 HydrophobicContact CG2-CD1 4.27Å; T184-L188 WeakPolarHBondContact O-CG 3.45Å; T184-L188 PolarHBondContact O-N 2.72Å
185	F	96.9	Very high	93.6	Very high	134 Å²	134	72 Å²	72	59%	0.588	37%	0.372	S	S	*	.	H	α-helix	trans	-65.7	-37.4	177	-70.4	-53.9	0	0	0	112.7	H181 A182 Q183 L188 C189	H181-F185 HydrophobicContact CB-CE2 4.45Å; H181-F185 WeakPolarHBondContact O-CD2 3.22Å; H181-F185 PolarHBondContact O-N 3Å; A182-F185 PolarHBondContact O-N 3.29Å; A182-F185 VanDerWaalsContact O-N 3.16Å; Q183-F185 VanDerWaalsContact C-N 3.33Å; Q183-F185 PolarHBondContact O-N 3.02Å; F185-L188 HydrophobicContact CD1-CD1 4.21Å; F185-L188 PolarHBondContact O-N 3.24Å; F185-C189 WeakPolarHBondContact O-CB 3.49Å; F185-C189 PolarHBondContact O-N 2.88Å; F185-C189 PolarHBondContact O-SG 2.88Å
186	V	96.7	Very high	93.6	Very high	20 Å²	20	74.4 Å²	74.4	12%	0.121	39%	0.387	C	S	.	.	H	α-helix	trans	-60.2	-46.2	174.9	166.7	0	0	0	0	110.9	P79 P157 I161 A182 Q183 T184 L188 C189 A190	P79-V186 HydrophobicContact CB-CG1 4.27Å; P79-V186 HydrophobicContact CG-CG1 3.69Å; P157-V186 HydrophobicContact CB-CB 4.39Å; P157-V186 HydrophobicContact CB-CG1 3.87Å; P157-V186 HydrophobicContact CB-CG2 3.55Å; P157-V186 HydrophobicContact CG-CG1 3.87Å; P157-V186 HydrophobicContact CG-CG2 4.3Å; I161-V186 HydrophobicContact CD1-CG2 3.84Å; A182-V186 WeakPolarHBondContact O-CG2 3.49Å; A182-V186 PolarHBondContact O-N 3.06Å; Q183-V186 WeakPolarHBondContact O-CB 3.43Å; Q183-V186 PolarHBondContact O-N 3.24Å; T184-V186 PolarHBondContact O-N 3.04Å; V186-L188 PolarHBondContact O-N 2.91Å; V186-C189 PolarHBondContact O-N 2.82Å; V186-A190 PolarHBondContact O-N 2.93Å; V186-A190 VanDerWaalsContact O-N 3.07Å
187	A	93.1	Very high	93.7	Very high	18 Å²	18	70.5 Å²	70.5	15%	0.149	37%	0.371	C	S	.	.	H	α-helix	trans	-61.7	-43.5	176.4	0	0	0	0	0	111.8	L65 F78 Q183 T184 C189 A190 T191	L65-A187 HydrophobicContact CD1-CB 4.03Å; L65-A187 HydrophobicContact CD2-CB 4.26Å; F78-A187 HydrophobicContact CD1-CB 4.35Å; F78-A187 HydrophobicContact CE1-CB 4.26Å; Q183-A187 PolarHBondContact O-N 3.26Å; T184-A187 PolarHBondContact O-N 3.34Å; A187-C189 VanDerWaalsContact C-N 3.34Å; A187-C189 PolarHBondContact O-N 2.85Å; A187-A190 PolarHBondContact O-N 2.95Å; A187-A190 VanDerWaalsContact O-N 3.17Å; A187-T191 PolarHBondContact O-N 2.63Å; A187-T191 VanDerWaalsContact O-N 3.15Å; A187-T191 PolarHBondContact O-OG1 2.93Å
188	L	93.8	Very high	93.5	Very high	103 Å²	103	68.8 Å²	68.8	54%	0.539	36%	0.363	S	S	.	.	H	α-helix	trans	-62	-38	176	-71.8	170.8	0	0	0	112.7	T184 F185 V186 A190 T191	T184-L188 HydrophobicContact CG2-CD1 4.27Å; T184-L188 WeakPolarHBondContact O-CG 3.45Å; T184-L188 PolarHBondContact O-N 2.72Å; F185-L188 HydrophobicContact CD1-CD1 4.21Å; F185-L188 PolarHBondContact O-N 3.24Å; V186-L188 PolarHBondContact O-N 2.91Å; L188-A190 VanDerWaalsContact C-N 3.31Å; L188-T191 PolarHBondContact O-OG1 3.02Å; L188-T191 VanDerWaalsContact O-OG1 3.09Å
189	C	93.9	Very high	93.3	Very high	111 Å²	111	68.8 Å²	68.8	75%	0.75	36%	0.364	S	S	*	.	H	α-helix	trans	-70.6	-27.9	176.4	-71.2	0	0	0	0	113	F185 V186 A187	F185-C189 WeakPolarHBondContact O-CB 3.49Å; F185-C189 PolarHBondContact O-N 2.88Å; F185-C189 PolarHBondContact O-SG 2.88Å; V186-C189 PolarHBondContact O-N 2.82Å; A187-C189 VanDerWaalsContact C-N 3.34Å; A187-C189 PolarHBondContact O-N 2.85Å
190	A	88.3	Confident	93.2	Very high	15 Å²	15	69.2 Å²	69.2	12%	0.124	37%	0.374	C	S	.	.	H	α-helix	trans	-81.9	-24	-179.5	0	0	0	0	0	113.1	R57 F78 M82 V186 A187 L188	R57-A190 PolarHBondContact NH1-O 2.98Å; R57-A190 PolarHBondContact NH2-O 2.9Å; R57-A190 VanDerWaalsContact NH2-O 3.1Å; F78-A190 HydrophobicContact CD1-CB 4.46Å; F78-A190 HydrophobicContact CE1-CB 3.66Å; F78-A190 HydrophobicContact CZ-CB 4.1Å; M82-A190 HydrophobicContact CB-CB 4.38Å; M82-A190 HydrophobicContact CG-CB 4.15Å; V186-A190 PolarHBondContact O-N 2.93Å; V186-A190 VanDerWaalsContact O-N 3.07Å; A187-A190 PolarHBondContact O-N 2.95Å; A187-A190 VanDerWaalsContact O-N 3.17Å; L188-A190 VanDerWaalsContact C-N 3.31Å
191	T	79.9	Confident	93.2	Very high	43 Å²	43	62.4 Å²	62.4	26%	0.264	35%	0.351	S	S	.	.			trans	-78.3	0	177.9	50.1	0	0	0	0	114	R57 A61 L65 F78 A187 L188	R57-T191 PolarHBondContact NH1-O 3.22Å; A61-T191 HydrophobicContact CB-CG2 4.3Å; L65-T191 HydrophobicContact CB-CG2 4.43Å; L65-T191 HydrophobicContact CD2-CG2 3.94Å; F78-T191 HydrophobicContact CE1-CG2 4.24Å; F78-T191 HydrophobicContact CZ-CG2 3.75Å; A187-T191 PolarHBondContact O-N 2.63Å; A187-T191 VanDerWaalsContact O-N 3.15Å; A187-T191 PolarHBondContact O-OG1 2.93Å; L188-T191 PolarHBondContact O-OG1 3.02Å; L188-T191 VanDerWaalsContact O-OG1 3.09Å

Retrieved 191 of 191 residues in 455.9 ms (Link to these results)

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