A0A096N156_PAPAN Loading...

Mitogen-activated protein kinase kinase kinase 7 AlphaSync

AlphaFold DB (O43318-3), UniProt , Accession A0A096N156, Species PAPAN (Papio anubis, Olive baboon), Gene MAP3K7, Length 518 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	38.6	Very low	246 Å²	246	121.3 Å²	121.3	100%	1.212	82%	0.824	S	S	*	*				0	165.5	0	-75.4	172.7	168.6	0	0	108.7
2	S	38.2	Very low	38.3	Very low	108 Å²	108	120.6 Å²	120.6	76%	0.755	82%	0.821	S	S	*	*			trans	-35.3	157	-179.5	-46.5	0	0	0	0	118.5
3	T	37.8	Very low	38.5	Very low	125 Å²	125	120.5 Å²	120.5	77%	0.767	82%	0.823	S	S	*	*			cis	-175.2	158.1	-12.4	27	0	0	0	0	109.8
4	A	38.4	Very low	38.5	Very low	84 Å²	84	120.1 Å²	120.1	69%	0.694	82%	0.822	S	S	*	*			trans	55.1	121.4	142.2	0	0	0	0	0	120.1
5	S	37.5	Very low	38.2	Very low	113 Å²	113	119.1 Å²	119.1	79%	0.79	83%	0.825	S	S	*	*				68.4	139	69.1	86.4	0	0	0	0	115.2
6	A	37.9	Very low	38.2	Very low	93 Å²	93	116.1 Å²	116.1	77%	0.769	82%	0.818	S	S	*	*			cis	-168.3	162.4	-9.4	0	0	0	0	0	112.2
7	A	37.9	Very low	37.9	Very low	102 Å²	102	120 Å²	120	84%	0.843	82%	0.82	S	S	*	*			trans	44.1	122.5	149.8	0	0	0	0	0	123
8	S	39.9	Very low	37.6	Very low	114 Å²	114	123.6 Å²	123.6	80%	0.797	83%	0.825	S	S	*	*			trans	-154.8	120.5	140.6	51.1	0	0	0	0	114.7
9	S	37.9	Very low	37.7	Very low	104 Å²	104	125.1 Å²	125.1	73%	0.727	82%	0.823	S	S	*	*			trans	32.6	104.9	144	59.5	0	0	0	0	122.9
10	S	36.1	Very low	37.3	Very low	117 Å²	117	127.5 Å²	127.5	82%	0.818	82%	0.822	S	S	*	*				39.9	124.1	123.7	62.9	0	0	0	0	122.4
11	S	40.9	Very low	37.2	Very low	128 Å²	128	123.9 Å²	123.9	90%	0.895	80%	0.803	S	S	*	*			trans	-140	159	146.5	64	0	0	0	0	110.1
12	S	34.7	Very low	36.7	Very low	113 Å²	113	117.7 Å²	117.7	79%	0.79	78%	0.782	S	S	*	*			trans	-133.6	127.3	-162.4	57.8	0	0	0	0	114.6
13	S	41.4	Very low	36.9	Very low	120 Å²	120	116 Å²	116	84%	0.839	77%	0.77	S	S	*	*			trans	178.4	151.8	158.2	35.6	0	0	0	0	109.3
14	S	37.6	Very low	37.6	Very low	115 Å²	115	115.2 Å²	115.2	80%	0.804	76%	0.758	S	S	*	*			cis	-152.6	133.1	-20.8	40.9	0	0	0	0	107.9	G16	S14-G16 PolarHBondContact O-N 3.27Å
15	A	34.1	Very low	38.3	Very low	105 Å²	105	114.8 Å²	114.8	87%	0.868	75%	0.746	S	S	*	*			trans	-80.3	111.7	177.7	0	0	0	0	0	109.7	E17	A15-E17 PolarHBondContact O-N 2.92Å
16	G	38.2	Very low	39.5	Very low	70 Å²	70	110.3 Å²	110.3	72%	0.722	71%	0.713	S	S	*	*			trans	-78.9	114.3	172.9	0	0	0	0	0	110.8	S14 M18	S14-G16 PolarHBondContact O-N 3.27Å; G16-M18 PolarHBondContact O-N 2.97Å; G16-M18 VanDerWaalsContact O-N 3.15Å
17	E	33.1	Very low	41.2	Very low	183 Å²	183	112.8 Å²	112.8	86%	0.855	71%	0.713	S	S	*	*			trans	-64	112.3	170.9	-71.9	177.8	107.1	0	0	110	A15 I19	A15-E17 PolarHBondContact O-N 2.92Å; E17-I19 VanDerWaalsContact C-N 3.31Å; E17-I19 PolarHBondContact O-N 2.96Å
18	M	33.8	Very low	43.5	Very low	184 Å²	184	109.6 Å²	109.6	91%	0.906	68%	0.681	S	S	*	*			trans	-73.3	90	167.4	-65.5	-166.6	-55.9	0	0	108.4	G16 E20	G16-M18 PolarHBondContact O-N 2.97Å; G16-M18 VanDerWaalsContact O-N 3.15Å; M18-E20 PolarHBondContact O-N 2.99Å
19	I	38.4	Very low	46	Very low	153 Å²	153	107.9 Å²	107.9	79%	0.785	66%	0.66	S	S	*	*			trans	-61.5	105.7	176.2	-61.1	176.5	0	0	0	108.5	E17 A21	E17-I19 VanDerWaalsContact C-N 3.31Å; E17-I19 PolarHBondContact O-N 2.96Å; I19-A21 PolarHBondContact O-N 3.45Å
20	E	30.1	Very low	48.7	Very low	172 Å²	172	107.9 Å²	107.9	80%	0.804	65%	0.648	S	S	*	*			trans	-72.1	100.3	180	-172.6	157.4	-133.1	0	0	109.2	M18	M18-E20 PolarHBondContact O-N 2.99Å
21	A	34.6	Very low	51.5	Low	52 Å²	52	102.5 Å²	102.5	43%	0.43	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-54.5	130.3	176.1	0	0	0	0	0	109.9	I19	I19-A21 PolarHBondContact O-N 3.45Å
22	P	32.7	Very low	54.1	Low	116 Å²	116	100.1 Å²	100.1	75%	0.753	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-60.9	139.8	-169.2	23.5	-34.1	0	0	0	111.6	Q24	P22-Q24 PolarHBondContact O-N 3.29Å
23	S	42.9	Very low	57	Low	73 Å²	73	97.8 Å²	97.8	51%	0.51	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-53.5	132.8	170.6	43.3	0	0	0	0	109.8	V25	S23-V25 VanDerWaalsContact C-N 3.26Å; S23-V25 PolarHBondContact O-N 3.24Å
24	Q	51.3	Low	59.6	Low	109 Å²	109	100.3 Å²	100.3	51%	0.509	56%	0.558	S	S	.	*			trans	-77.3	82.5	179.9	-73.3	-171.1	-14.9	0	0	109.1	P22 L26	P22-Q24 PolarHBondContact O-N 3.29Å; Q24-L26 PolarHBondContact O-N 2.78Å; Q24-L26 VanDerWaalsContact O-N 3.13Å
25	V	53.1	Low	62.4	Low	74 Å²	74	98.5 Å²	98.5	45%	0.448	54%	0.537	S	S	.	.			trans	-46.9	119.8	171.7	-179	0	0	0	0	108.5	S23 N27	S23-V25 VanDerWaalsContact C-N 3.26Å; S23-V25 PolarHBondContact O-N 3.24Å; V25-N27 PolarHBondContact O-N 2.79Å
26	L	62.5	Low	65.4	Low	19 Å²	19	94.2 Å²	94.2	10%	0.099	50%	0.499	C	S	.	.			trans	-73.2	105.7	-176.6	-62.4	-169.9	0	0	0	110	Q24 F28 R79 I395	Q24-L26 PolarHBondContact O-N 2.78Å; Q24-L26 VanDerWaalsContact O-N 3.13Å; L26-F28 HydrophobicContact CB-CD1 3.95Å; L26-F28 HydrophobicContact CB-CE1 4.19Å; L26-F28 WeakPolarHBondContact O-CD1 3.34Å; L26-F28 PolarHBondContact O-N 3.29Å; L26-R79 HydrophobicContact CD1-CB 3.83Å; L26-R79 HydrophobicContact CD1-CG 4.04Å; L26-R79 HydrophobicContact CD2-CG 4.1Å; L26-I395 HydrophobicContact CD1-CD1 3.36Å; L26-I395 HydrophobicContact CD1-CG1 3.93Å; L26-I395 HydrophobicContact CG-CD1 4.31Å
27	N	74.7	Confident	68.3	Low	145 Å²	145	97.4 Å²	97.4	78%	0.775	50%	0.495	S	S	*	.			trans	-79.2	85.4	177.1	-65.9	-30.3	0	0	0	110.1	V25	V25-N27 PolarHBondContact O-N 2.79Å
28	F	85	Confident	71.3	Confident	36 Å²	36	91.8 Å²	91.8	16%	0.158	47%	0.473	C	S	.	.			trans	-121.9	154	165.8	66.5	-91	0	0	0	109.9	L26 L78 L92 A95 L97	L26-F28 HydrophobicContact CB-CD1 3.95Å; L26-F28 HydrophobicContact CB-CE1 4.19Å; L26-F28 WeakPolarHBondContact O-CD1 3.34Å; L26-F28 PolarHBondContact O-N 3.29Å; F28-L78 HydrophobicContact CB-CD1 4.3Å; F28-L78 HydrophobicContact CD1-CD1 4.15Å; F28-L78 HydrophobicContact CD1-CD2 4.35Å; F28-L78 HydrophobicContact CD1-CG 4.37Å; F28-L78 HydrophobicContact CD2-CD1 4.34Å; F28-L78 HydrophobicContact CE1-CD2 3.99Å; F28-L78 HydrophobicContact CE1-CG 4.45Å; F28-L78 HydrophobicContact CE2-CD2 4.4Å; F28-L78 HydrophobicContact CG-CD1 4.02Å; F28-L78 HydrophobicContact CZ-CD2 4.02Å; F28-L92 HydrophobicContact CB-CD2 4.41Å; F28-A95 HydrophobicContact CD2-CB 4.05Å; F28-A95 HydrophobicContact CE2-CB 4.12Å; F28-L97 HydrophobicContact CE2-CD2 4.19Å; F28-L97 HydrophobicContact CZ-CD2 4.32Å
29	E	93.2	Very high	74.2	Confident	78 Å²	78	87.2 Å²	87.2	36%	0.364	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123.5	172.8	-170.3	173.2	170.3	0	0	109.8	I31 R56 G94 A95	E29-I31 HydrophobicContact CG-CG1 4.18Å; E29-R56 IonicContact OE1-CZ 2.69Å; E29-R56 IonicContact OE1-NH1 2.86Å; E29-R56 PolarHBondContact OE1-NH1 2.86Å; E29-R56 IonicContact OE1-NH2 3.8Å; E29-R56 PolarHBondContact OE1-NH2 3.38Å; E29-R56 IonicContact OE2-NH1 3.1Å; E29-G94 CarbonylContact O-C 3.57Å; E29-G94 WeakPolarHBondContact O-CA 3.13Å; E29-A95 PolarHBondContact O-N 3.31Å
30	E	94	Very high	76.9	Confident	103 Å²	103	85 Å²	85	48%	0.481	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.5	168.1	-176.4	169.5	173.8	0	0	108.9	A95 L97	E30-A95 WeakPolarHBondContact CA-O 3.33Å; E30-L97 VanDerWaalsContact CD-CD1 3.5Å; E30-L97 HydrophobicContact CG-CD1 4.37Å; E30-L97 HydrophobicContact CG-CG 4.08Å; E30-L97 WeakPolarHBondContact OE1-CD1 3.4Å; E30-L97 WeakPolarHBondContact OE1-CG 3.38Å
31	I	95.7	Very high	79.9	Confident	5 Å²	5	80 Å²	80	3%	0.026	42%	0.417	C	S	.	.			trans	-108.3	128.2	-173.1	-63.9	168.1	0	0	0	109	E29 Y33 I36 W55 A95 C96 V103	E29-I31 HydrophobicContact CG-CG1 4.18Å; I31-Y33 PolarHBondContact O-N 3.48Å; I31-I36 HydrophobicContact CG2-CD1 4.06Å; I31-I36 HydrophobicContact CG2-CG1 4.2Å; I31-W55 HydrophobicContact CD1-CD2 4.29Å; I31-W55 HydrophobicContact CD1-CH2 3.93Å; I31-W55 HydrophobicContact CD1-CZ2 3.58Å; I31-W55 HydrophobicContact CD1-CZ3 4.44Å; I31-W55 HydrophobicContact CG1-CH2 4.45Å; I31-W55 HydrophobicContact CG1-CZ2 3.75Å; I31-A95 PolarHBondContact N-O 2.9Å; I31-C96 PolarHBondContact O-SG 3.28Å; I31-V103 HydrophobicContact CD1-CB 3.81Å; I31-V103 HydrophobicContact CD1-CG1 4.13Å; I31-V103 HydrophobicContact CD1-CG2 3.78Å
32	D	95.7	Very high	82.5	Confident	77 Å²	77	80.4 Å²	80.4	41%	0.412	41%	0.414	S	S	.	.			trans	-67.9	121.8	167	-172.9	-15.1	0	0	0	108.2	K34 E35	D32-K34 PolarHBondContact O-N 3.39Å; D32-K34 WeakPolarHBondContact OD1-CB 3.48Å; D32-K34 WeakPolarHBondContact OD1-CG 3.45Å; D32-K34 PolarHBondContact OD1-N 3.33Å; D32-K34 IonicContact OD1-NZ 3.64Å; D32-K34 PolarHBondContact OD1-NZ 3.07Å; D32-K34 IonicContact OD2-NZ 3.46Å; D32-K34 PolarHBondContact OD2-NZ 3.04Å; D32-E35 WeakPolarHBondContact O-CB 3.26Å; D32-E35 PolarHBondContact O-N 3.46Å
33	Y	95.9	Very high	84.8	Confident	64 Å²	64	76.2 Å²	76.2	25%	0.251	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-58	-19.3	-180	-169.1	-99.3	0	0	0	112.8	I31 E35 I36 I62 Q64 C96 P99	I31-Y33 PolarHBondContact O-N 3.48Å; Y33-E35 PolarHBondContact O-N 2.92Å; Y33-I36 HydrophobicContact CD2-CD1 4.23Å; Y33-I36 WeakPolarHBondContact O-CB 3.38Å; Y33-I36 PolarHBondContact O-N 2.8Å; Y33-I36 VanDerWaalsContact O-N 3.12Å; Y33-I62 HydrophobicContact CE2-CD1 4.45Å; Y33-Q64 PolarHBondContact OH-OE1 2.87Å; Y33-C96 HydrophobicContact CD2-CB 4.3Å; Y33-P99 HydrophobicContact CD1-CG 4.05Å; Y33-P99 HydrophobicContact CD2-CG 3.58Å; Y33-P99 HydrophobicContact CE1-CG 3.94Å; Y33-P99 HydrophobicContact CE2-CG 3.46Å; Y33-P99 VanDerWaalsContact CE2-CG 3.46Å; Y33-P99 HydrophobicContact CG-CG 3.87Å
34	K	96	Very high	86.6	Confident	173 Å²	173	80.1 Å²	80.1	75%	0.752	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-66.6	-17	171.1	-61.2	179.9	-142.8	72.5	0	114.3	D32	D32-K34 PolarHBondContact O-N 3.39Å; D32-K34 WeakPolarHBondContact OD1-CB 3.48Å; D32-K34 WeakPolarHBondContact OD1-CG 3.45Å; D32-K34 PolarHBondContact OD1-N 3.33Å; D32-K34 IonicContact OD1-NZ 3.64Å; D32-K34 PolarHBondContact OD1-NZ 3.07Å; D32-K34 IonicContact OD2-NZ 3.46Å; D32-K34 PolarHBondContact OD2-NZ 3.04Å
35	E	96.3	Very high	87.3	Confident	78 Å²	78	77.2 Å²	77.2	36%	0.364	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-80.1	-2.6	171.8	-62.4	-173	-163.4	0	0	113	D32 Y33 W55 R56	D32-E35 WeakPolarHBondContact O-CB 3.26Å; D32-E35 PolarHBondContact O-N 3.46Å; Y33-E35 PolarHBondContact O-N 2.92Å; E35-W55 PolarHBondContact OE2-NE1 3.09Å; E35-R56 IonicContact OE1-NE 2.71Å; E35-R56 IonicContact OE1-NH2 2.68Å; E35-R56 PolarHBondContact OE1-NH2 2.72Å; E35-R56 VanDerWaalsContact OE1-NH2 3.16Å; E35-R56 IonicContact OE2-CZ 2.74Å; E35-R56 IonicContact OE2-NE 2.6Å; E35-R56 PolarHBondContact OE2-NE 3.27Å; E35-R56 IonicContact OE2-NH2 3.73Å; E35-R56 PolarHBondContact OE2-NH2 3.24Å
36	I	97.4	Very high	87.9	Confident	14 Å²	14	76.4 Å²	76.4	7%	0.072	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.3	-171.6	-53.8	-176.8	0	0	0	110.9	I31 Y33 V38 A53 K54 W55 I62 C96 V103	I31-I36 HydrophobicContact CG2-CD1 4.06Å; I31-I36 HydrophobicContact CG2-CG1 4.2Å; Y33-I36 HydrophobicContact CD2-CD1 4.23Å; Y33-I36 WeakPolarHBondContact O-CB 3.38Å; Y33-I36 PolarHBondContact O-N 2.8Å; Y33-I36 VanDerWaalsContact O-N 3.12Å; I36-V38 HydrophobicContact CG2-CG2 4.13Å; I36-V38 PolarHBondContact O-N 3.12Å; I36-A53 HydrophobicContact CG2-CB 3.66Å; I36-K54 WeakPolarHBondContact CA-O 3.47Å; I36-W55 HydrophobicContact CG1-CB 4.49Å; I36-I62 HydrophobicContact CD1-CG2 4.31Å; I36-I62 HydrophobicContact CG2-CD1 4.43Å; I36-I62 HydrophobicContact CG2-CG2 4.15Å; I36-C96 VanDerWaalsContact CD1-SG 3.53Å; I36-V103 HydrophobicContact CD1-CG2 3.75Å
37	E	97.2	Very high	88.3	Confident	137 Å²	137	76.8 Å²	76.8	64%	0.64	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	97	172.2	-66.9	172.6	-170	0	0	109	A53 K54	E37-A53 CarbonylContact O-C 3.42Å; E37-A53 WeakPolarHBondContact O-CA 3.22Å; E37-A53 WeakPolarHBondContact O-CB 3.42Å; E37-K54 HydrophobicContact CB-CB 4.3Å; E37-K54 PolarHBondContact N-O 3.37Å; E37-K54 PolarHBondContact O-N 3.49Å
38	V	96.4	Very high	88.5	Confident	66 Å²	66	69.9 Å²	69.9	40%	0.4	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.9	179.8	-170.2	0	0	0	0	110.7	I36 C51 I62	I36-V38 HydrophobicContact CG2-CG2 4.13Å; I36-V38 PolarHBondContact O-N 3.12Å; V38-C51 HydrophobicContact CG1-CB 3.9Å; V38-I62 HydrophobicContact CG1-CD1 4.16Å; V38-I62 HydrophobicContact CG2-CD1 3.68Å
39	E	95.9	Very high	88.6	Confident	87 Å²	87	68.9 Å²	68.9	41%	0.407	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-69	-176.1	-61.7	-171.4	137	0	0	112.8	K52 K54	E39-K52 PolarHBondContact N-O 3.47Å; E39-K52 IonicContact OE2-NZ 2.82Å; E39-K52 PolarHBondContact OE2-NZ 2.93Å; E39-K54 IonicContact OE1-NZ 3.14Å; E39-K54 PolarHBondContact OE1-NZ 3.34Å
40	E	93.9	Very high	88.6	Confident	108 Å²	108	67 Å²	67	51%	0.505	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.9	-172.1	64.3	-177	155.8	0	0	112.6	V42 C51 K52	E40-V42 HydrophobicContact CG-CG1 4.07Å; E40-C51 CarbonylContact O-C 3.46Å; E40-C51 WeakPolarHBondContact O-CA 3.39Å; E40-C51 WeakPolarHBondContact O-CB 3.46Å; E40-K52 HydrophobicContact CG-CB 3.93Å; E40-K52 HydrophobicContact CG-CD 4.43Å; E40-K52 PolarHBondContact N-O 2.86Å; E40-K52 PolarHBondContact O-N 3.04Å
41	V	93.4	Very high	88.6	Confident	65 Å²	65	62.6 Å²	62.6	39%	0.394	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	117.8	173.1	176.1	0	0	0	0	108.9	V49 L507	V41-V49 HydrophobicContact CB-CG1 4.41Å; V41-V49 HydrophobicContact CG1-CG1 3.56Å; V41-V49 HydrophobicContact CG2-CG1 4.08Å; V41-L507 WeakPolarHBondContact O-CD1 3.43Å
42	V	89.5	Confident	88.7	Confident	61 Å²	61	63.8 Å²	63.8	37%	0.37	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-14	-179.8	-62.5	0	0	0	0	113.3	E40 V50 K52 Y106	E40-V42 HydrophobicContact CG-CG1 4.07Å; V42-V50 HydrophobicContact CG2-CB 4.21Å; V42-V50 HydrophobicContact CG2-CG1 3.77Å; V42-V50 WeakPolarHBondContact CG2-O 3.19Å; V42-V50 PolarHBondContact N-O 2.89Å; V42-K52 HydrophobicContact CG1-CB 3.85Å; V42-Y106 HydrophobicContact CG1-CE2 4.25Å
43	G	81.4	Confident	88.8	Confident	28 Å²	28	60.1 Å²	60.1	29%	0.289	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	163	174	0	0	0	0	0	114	V49 V50	G43-V49 WeakPolarHBondContact O-CG1 3.38Å; G43-V50 PolarHBondContact N-O 3Å; G43-V50 VanDerWaalsContact N-O 3.09Å; G43-V50 PolarHBondContact O-N 2.82Å
44	R	80.7	Confident	88.9	Confident	156 Å²	156	60.5 Å²	60.5	59%	0.589	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.2	169.7	-71.7	176.5	165.2	-85.6	-5.7	107.6	V49 E66	R44-V49 HydrophobicContact CG-CG1 4.25Å; R44-V49 HydrophobicContact CG-CG2 4.39Å; R44-E66 IonicContact CZ-OE1 3.85Å; R44-E66 IonicContact NH1-OE1 3.55Å; R44-E66 PolarHBondContact NH1-OE1 2.63Å; R44-E66 IonicContact NH1-OE2 2.96Å; R44-E66 PolarHBondContact NH1-OE2 3.46Å; R44-E66 IonicContact NH2-OE1 2.79Å; R44-E66 PolarHBondContact NH2-OE1 2.86Å
45	G	66.6	Low	89	Confident	48 Å²	48	52.7 Å²	52.7	50%	0.495	29%	0.285	S	S	.	.			trans	-96.4	-167.8	-176.9	0	0	0	0	0	112.7	G48	G45-G48 PolarHBondContact N-O 2.8Å
46	A	65.2	Low	89	Confident	57 Å²	57	54.9 Å²	54.9	47%	0.471	29%	0.29	S	S	.	.	S	Bend	trans	-80.6	-5.2	167.6	0	0	0	0	0	113.2
47	F	69.6	Low	88.9	Confident	26 Å²	26	59.2 Å²	59.2	11%	0.114	33%	0.328	C	S	.	.	S	Bend	trans	-142.7	62	-173.8	-51.7	-66.8	0	0	0	109.7	K63 E70 A73 T178	F47-K63 WeakPolarHBondContact O-CE 3.27Å; F47-E70 VanDerWaalsContact C-OE1 3.27Å; F47-E70 VanDerWaalsContact CA-OE1 3.27Å; F47-E70 WeakPolarHBondContact CA-OE1 3.25Å; F47-A73 HydrophobicContact CD1-CB 3.54Å; F47-A73 HydrophobicContact CE1-CB 3.76Å; F47-A73 HydrophobicContact CG-CB 4.16Å; F47-T178 HydrophobicContact CE2-CG2 4.2Å
48	G	78.8	Confident	88.9	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.01	32%	0.32	C	S	.	.	S	Bend	trans	89.9	-172.7	176.9	0	0	0	0	0	117.2	G45 Q64 E70	G45-G48 PolarHBondContact N-O 2.8Å; G48-Q64 CarbonylContact C-O 3.51Å; G48-Q64 VanDerWaalsContact CA-O 3.24Å; G48-Q64 WeakPolarHBondContact CA-O 3.48Å; G48-E70 PolarHBondContact N-OE1 2.92Å
49	V	88.3	Confident	88.9	Confident	14 Å²	14	58.2 Å²	58.2	9%	0.085	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141	-177.8	-168.1	0	0	0	0	110.6	V41 G43 R44 K63 Q64 E66	V41-V49 HydrophobicContact CB-CG1 4.41Å; V41-V49 HydrophobicContact CG1-CG1 3.56Å; V41-V49 HydrophobicContact CG2-CG1 4.08Å; G43-V49 WeakPolarHBondContact O-CG1 3.38Å; R44-V49 HydrophobicContact CG-CG1 4.25Å; R44-V49 HydrophobicContact CG-CG2 4.39Å; V49-K63 CarbonylContact O-C 3.59Å; V49-K63 WeakPolarHBondContact O-CA 3.5Å; V49-Q64 PolarHBondContact N-O 3.32Å; V49-Q64 PolarHBondContact O-N 3.17Å; V49-E66 HydrophobicContact CG2-CG 3.57Å; V49-E66 WeakPolarHBondContact CG2-OE1 3.43Å
50	V	92.7	Very high	89	Confident	38 Å²	38	54 Å²	54	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.9	167.5	-171.9	0	0	0	0	109.4	V42 G43 A61 I62 K63	V42-V50 HydrophobicContact CG2-CB 4.21Å; V42-V50 HydrophobicContact CG2-CG1 3.77Å; V42-V50 WeakPolarHBondContact CG2-O 3.19Å; V42-V50 PolarHBondContact N-O 2.89Å; G43-V50 PolarHBondContact N-O 3Å; G43-V50 VanDerWaalsContact N-O 3.09Å; G43-V50 PolarHBondContact O-N 2.82Å; V50-A61 HydrophobicContact CG1-CB 4.3Å; V50-I62 CarbonylContact C-O 3.57Å; V50-I62 VanDerWaalsContact CA-O 3.28Å; V50-I62 WeakPolarHBondContact CA-O 3.36Å; V50-K63 HydrophobicContact CG2-CB 4.43Å; V50-K63 HydrophobicContact CG2-CG 4.17Å
51	C	94.8	Very high	89.1	Confident	12 Å²	12	49.4 Å²	49.4	8%	0.081	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	146.9	175	-53.3	0	0	0	0	111	V38 E40 A61 I62	V38-C51 HydrophobicContact CG1-CB 3.9Å; E40-C51 CarbonylContact O-C 3.46Å; E40-C51 WeakPolarHBondContact O-CA 3.39Å; E40-C51 WeakPolarHBondContact O-CB 3.46Å; C51-A61 WeakPolarHBondContact O-CA 3.47Å; C51-I62 HydrophobicContact CB-CD1 4.18Å; C51-I62 HydrophobicContact CB-CG1 3.74Å; C51-I62 PolarHBondContact N-O 2.71Å; C51-I62 PolarHBondContact O-N 2.6Å
52	K	97	Very high	89.2	Confident	29 Å²	29	46.3 Å²	46.3	13%	0.126	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138	160.8	-174.1	176.6	-170.7	-76.6	0	108.6	E39 E40 V42 D59 Y106	E39-K52 PolarHBondContact N-O 3.47Å; E39-K52 IonicContact OE2-NZ 2.82Å; E39-K52 PolarHBondContact OE2-NZ 2.93Å; E40-K52 HydrophobicContact CG-CB 3.93Å; E40-K52 HydrophobicContact CG-CD 4.43Å; E40-K52 PolarHBondContact N-O 2.86Å; E40-K52 PolarHBondContact O-N 3.04Å; V42-K52 HydrophobicContact CG1-CB 3.85Å; K52-D59 IonicContact NZ-OD1 2.63Å; K52-D59 PolarHBondContact NZ-OD1 3.17Å; K52-Y106 HydrophobicContact CB-CD2 4.22Å; K52-Y106 HydrophobicContact CB-CE2 3.77Å; K52-Y106 HydrophobicContact CD-CD2 4.43Å; K52-Y106 HydrophobicContact CD-CE1 4.08Å; K52-Y106 HydrophobicContact CD-CE2 3.88Å; K52-Y106 HydrophobicContact CG-CD2 3.91Å; K52-Y106 HydrophobicContact CG-CE2 3.68Å; K52-Y106 HydrophobicContact CG-CG 4.46Å
53	A	97.8	Very high	89.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	172.6	177.5	0	0	0	0	0	110.4	I36 E37 V60 I62	I36-A53 HydrophobicContact CG2-CB 3.66Å; E37-A53 CarbonylContact O-C 3.42Å; E37-A53 WeakPolarHBondContact O-CA 3.22Å; E37-A53 WeakPolarHBondContact O-CB 3.42Å; A53-V60 HydrophobicContact CB-CG2 3.94Å; A53-V60 PolarHBondContact N-O 2.71Å; A53-V60 PolarHBondContact O-N 2.95Å; A53-I62 HydrophobicContact CB-CD1 4.4Å; A53-I62 HydrophobicContact CB-CG1 4.4Å; A53-I62 HydrophobicContact CB-CG2 4.26Å
54	K	98.1	Very high	89.9	Confident	72 Å²	72	45.4 Å²	45.4	31%	0.313	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.5	164.2	-66.2	-170.2	178.8	91.6	0	111.3	I36 E37 E39 K58	I36-K54 WeakPolarHBondContact CA-O 3.47Å; E37-K54 HydrophobicContact CB-CB 4.3Å; E37-K54 PolarHBondContact N-O 3.37Å; E37-K54 PolarHBondContact O-N 3.49Å; E39-K54 IonicContact OE1-NZ 3.14Å; E39-K54 PolarHBondContact OE1-NZ 3.34Å; K54-K58 VanDerWaalsContact CA-O 3.27Å; K54-K58 WeakPolarHBondContact CA-O 3.47Å
55	W	97.7	Very high	90.3	Very high	9 Å²	9	39.1 Å²	39.1	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.1	172.3	173.7	67.2	0	0	0	109.1	I31 E35 I36 A57 K58 V60 Y93	I31-W55 HydrophobicContact CD1-CD2 4.29Å; I31-W55 HydrophobicContact CD1-CH2 3.93Å; I31-W55 HydrophobicContact CD1-CZ2 3.58Å; I31-W55 HydrophobicContact CD1-CZ3 4.44Å; I31-W55 HydrophobicContact CG1-CH2 4.45Å; I31-W55 HydrophobicContact CG1-CZ2 3.75Å; E35-W55 PolarHBondContact OE2-NE1 3.09Å; I36-W55 HydrophobicContact CG1-CB 4.49Å; W55-A57 VanDerWaalsContact C-N 3.27Å; W55-A57 PolarHBondContact O-N 2.71Å; W55-K58 PolarHBondContact N-O 3.19Å; W55-K58 PolarHBondContact O-N 2.82Å; W55-V60 HydrophobicContact CB-CG1 4Å; W55-V60 HydrophobicContact CB-CG2 3.93Å; W55-V60 HydrophobicContact CE3-CG1 4.42Å; W55-Y93 HydrophobicContact CE3-CD2 4.4Å; W55-Y93 HydrophobicContact CZ3-CD2 4.33Å; W55-Y93 HydrophobicContact CZ3-CG 4.05Å
56	R	96.9	Very high	91.1	Very high	125 Å²	125	42.4 Å²	42.4	47%	0.472	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	50	-178.2	-61.9	-179.3	-175	163.1	9	113.4	E29 E35 K58	E29-R56 IonicContact OE1-CZ 2.69Å; E29-R56 IonicContact OE1-NH1 2.86Å; E29-R56 PolarHBondContact OE1-NH1 2.86Å; E29-R56 IonicContact OE1-NH2 3.8Å; E29-R56 PolarHBondContact OE1-NH2 3.38Å; E29-R56 IonicContact OE2-NH1 3.1Å; E35-R56 IonicContact OE1-NE 2.71Å; E35-R56 IonicContact OE1-NH2 2.68Å; E35-R56 PolarHBondContact OE1-NH2 2.72Å; E35-R56 VanDerWaalsContact OE1-NH2 3.16Å; E35-R56 IonicContact OE2-CZ 2.74Å; E35-R56 IonicContact OE2-NE 2.6Å; E35-R56 PolarHBondContact OE2-NE 3.27Å; E35-R56 IonicContact OE2-NH2 3.73Å; E35-R56 PolarHBondContact OE2-NH2 3.24Å; R56-K58 VanDerWaalsContact C-N 3.28Å; R56-K58 PolarHBondContact O-N 3Å
57	A	95.2	Very high	92	Very high	104 Å²	104	41.6 Å²	41.6	86%	0.86	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	26	-178.8	0	0	0	0	0	116.1	W55	W55-A57 VanDerWaalsContact C-N 3.27Å; W55-A57 PolarHBondContact O-N 2.71Å
58	K	96.5	Very high	92.8	Very high	108 Å²	108	46.2 Å²	46.2	47%	0.47	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.7	170	-61.2	167.2	-172.9	164.1	0	109.9	K54 W55 R56 V60	K54-K58 VanDerWaalsContact CA-O 3.27Å; K54-K58 WeakPolarHBondContact CA-O 3.47Å; W55-K58 PolarHBondContact N-O 3.19Å; W55-K58 PolarHBondContact O-N 2.82Å; R56-K58 VanDerWaalsContact C-N 3.28Å; R56-K58 PolarHBondContact O-N 3Å; K58-V60 HydrophobicContact CB-CG1 4.47Å
59	D	97.5	Very high	92.9	Very high	74 Å²	74	51.1 Å²	51.1	40%	0.396	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.4	164.7	-62.4	-80.6	0	0	0	109.6	K52	K52-D59 IonicContact NZ-OD1 2.63Å; K52-D59 PolarHBondContact NZ-OD1 3.17Å
60	V	97.8	Very high	92.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.4	-177.9	-59	0	0	0	0	110.7	A53 W55 K58 I62 Y93 V103 M104	A53-V60 HydrophobicContact CB-CG2 3.94Å; A53-V60 PolarHBondContact N-O 2.71Å; A53-V60 PolarHBondContact O-N 2.95Å; W55-V60 HydrophobicContact CB-CG1 4Å; W55-V60 HydrophobicContact CB-CG2 3.93Å; W55-V60 HydrophobicContact CE3-CG1 4.42Å; K58-V60 HydrophobicContact CB-CG1 4.47Å; V60-I62 HydrophobicContact CG2-CG2 4.28Å; V60-Y93 HydrophobicContact CG1-CD2 3.89Å; V60-Y93 HydrophobicContact CG1-CE2 3.83Å; V60-V103 HydrophobicContact CB-CG1 4.03Å; V60-V103 HydrophobicContact CG1-CG1 4.22Å; V60-V103 HydrophobicContact CG2-CG1 4Å; V60-M104 CarbonylContact C-O 3.55Å; V60-M104 VanDerWaalsContact CA-O 3.3Å; V60-M104 WeakPolarHBondContact CA-O 3.26Å; V60-M104 VanDerWaalsContact CB-O 3.32Å; V60-M104 WeakPolarHBondContact CB-O 3.32Å
61	A	96.8	Very high	92.2	Very high	11 Å²	11	51.6 Å²	51.6	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.3	165.4	0	0	0	0	0	108.8	V50 C51 M104 Y106	V50-A61 HydrophobicContact CG1-CB 4.3Å; C51-A61 WeakPolarHBondContact O-CA 3.47Å; A61-M104 PolarHBondContact N-O 2.88Å; A61-M104 PolarHBondContact O-N 2.86Å; A61-Y106 HydrophobicContact CB-CD2 4.29Å
62	I	95.3	Very high	91.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.1	170	62.7	171.4	0	0	0	110.5	Y33 I36 V38 V50 C51 A53 V60 L102 V103	Y33-I62 HydrophobicContact CE2-CD1 4.45Å; I36-I62 HydrophobicContact CD1-CG2 4.31Å; I36-I62 HydrophobicContact CG2-CD1 4.43Å; I36-I62 HydrophobicContact CG2-CG2 4.15Å; V38-I62 HydrophobicContact CG1-CD1 4.16Å; V38-I62 HydrophobicContact CG2-CD1 3.68Å; V50-I62 CarbonylContact C-O 3.57Å; V50-I62 VanDerWaalsContact CA-O 3.28Å; V50-I62 WeakPolarHBondContact CA-O 3.36Å; C51-I62 HydrophobicContact CB-CD1 4.18Å; C51-I62 HydrophobicContact CB-CG1 3.74Å; C51-I62 PolarHBondContact N-O 2.71Å; C51-I62 PolarHBondContact O-N 2.6Å; A53-I62 HydrophobicContact CB-CD1 4.4Å; A53-I62 HydrophobicContact CB-CG1 4.4Å; A53-I62 HydrophobicContact CB-CG2 4.26Å; V60-I62 HydrophobicContact CG2-CG2 4.28Å; I62-L102 CarbonylContact C-O 3.58Å; I62-L102 VanDerWaalsContact CA-O 3.23Å; I62-L102 WeakPolarHBondContact CA-O 3.16Å; I62-V103 HydrophobicContact CG2-CG1 4.38Å; I62-V103 HydrophobicContact CG2-CG2 4.21Å
63	K	92.8	Very high	90.7	Very high	15 Å²	15	56.1 Å²	56.1	7%	0.065	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	104	173	-171.8	-176.5	-167.3	-170.7	0	108.5	F47 V49 V50 E77 C101 L102 M104 D175	F47-K63 WeakPolarHBondContact O-CE 3.27Å; V49-K63 CarbonylContact O-C 3.59Å; V49-K63 WeakPolarHBondContact O-CA 3.5Å; V50-K63 HydrophobicContact CG2-CB 4.43Å; V50-K63 HydrophobicContact CG2-CG 4.17Å; K63-E77 IonicContact NZ-OE1 2.71Å; K63-E77 PolarHBondContact NZ-OE1 2.75Å; K63-E77 IonicContact NZ-OE2 2.62Å; K63-E77 PolarHBondContact NZ-OE2 3.3Å; K63-C101 CarbonylContact O-C 3.51Å; K63-C101 WeakPolarHBondContact O-CA 3.23Å; K63-C101 VanDerWaalsContact O-CB 3.3Å; K63-C101 WeakPolarHBondContact O-CB 3.07Å; K63-L102 HydrophobicContact CB-CB 4.3Å; K63-L102 HydrophobicContact CD-CD1 4.29Å; K63-L102 PolarHBondContact N-O 2.76Å; K63-L102 PolarHBondContact O-N 2.99Å; K63-M104 HydrophobicContact CB-CE 3.75Å; K63-D175 IonicContact NZ-OD1 3.07Å; K63-D175 PolarHBondContact NZ-OD1 3.45Å
64	Q	91.9	Very high	90.2	Very high	55 Å²	55	56.3 Å²	56.3	26%	0.257	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.8	-174.7	-179.1	174.2	-8.6	0	0	110.2	Y33 G48 V49 C101	Y33-Q64 PolarHBondContact OH-OE1 2.87Å; G48-Q64 CarbonylContact C-O 3.51Å; G48-Q64 VanDerWaalsContact CA-O 3.24Å; G48-Q64 WeakPolarHBondContact CA-O 3.48Å; V49-Q64 PolarHBondContact N-O 3.32Å; V49-Q64 PolarHBondContact O-N 3.17Å; Q64-C101 HydrophobicContact CB-CB 3.77Å; Q64-C101 HydrophobicContact CG-CB 4.2Å
65	I	88.5	Confident	89.5	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.118	28%	0.277	C	S	.	.			trans	-69	143.3	175.9	62.8	177.7	0	0	0	111	E70 F74 V100	I65-E70 HydrophobicContact CB-CB 3.98Å; I65-E70 HydrophobicContact CG2-CB 3.78Å; I65-F74 HydrophobicContact CG2-CB 3.93Å; I65-F74 HydrophobicContact CG2-CD2 4.13Å; I65-F74 HydrophobicContact CG2-CG 4.36Å; I65-V100 HydrophobicContact CD1-CB 3.81Å; I65-V100 HydrophobicContact CD1-CG1 3.79Å; I65-V100 HydrophobicContact CD1-CG2 4.5Å; I65-V100 HydrophobicContact CG1-CB 4.02Å; I65-V100 HydrophobicContact CG1-CG1 4.21Å; I65-V100 PolarHBondContact N-O 3.47Å
66	E	84.9	Confident	88.9	Confident	117 Å²	117	53.5 Å²	53.5	55%	0.547	28%	0.282	S	S	.	.	S	Bend	trans	-93.7	-17.5	175.5	-66.7	-167.1	104.5	0	0	111.9	R44 V49 E70	R44-E66 IonicContact CZ-OE1 3.85Å; R44-E66 IonicContact NH1-OE1 3.55Å; R44-E66 PolarHBondContact NH1-OE1 2.63Å; R44-E66 IonicContact NH1-OE2 2.96Å; R44-E66 PolarHBondContact NH1-OE2 3.46Å; R44-E66 IonicContact NH2-OE1 2.79Å; R44-E66 PolarHBondContact NH2-OE1 2.86Å; V49-E66 HydrophobicContact CG2-CG 3.57Å; V49-E66 WeakPolarHBondContact CG2-OE1 3.43Å; E66-E70 PolarHBondContact N-OE2 3.33Å
67	S	84.3	Confident	88.4	Confident	40 Å²	40	47.8 Å²	47.8	28%	0.28	26%	0.26	S	S	.	.	S	Bend	trans	-142.8	147.5	-173.7	70.1	0	0	0	0	113.2	S69 E70	S67-S69 VanDerWaalsContact CB-OG 3.26Å; S67-S69 WeakPolarHBondContact CB-OG 3.31Å; S67-S69 PolarHBondContact O-N 2.88Å; S67-S69 PolarHBondContact OG-OG 3.26Å; S67-E70 WeakPolarHBondContact CB-OE2 3.24Å; S67-E70 PolarHBondContact N-OE2 3.01Å; S67-E70 WeakPolarHBondContact O-CB 3.4Å; S67-E70 PolarHBondContact O-N 3.39Å; S67-E70 VanDerWaalsContact OG-CD 3.25Å; S67-E70 WeakPolarHBondContact OG-CG 3.3Å; S67-E70 PolarHBondContact OG-OE2 3.48Å
68	E	84.9	Confident	88.1	Confident	123 Å²	123	42.8 Å²	42.8	58%	0.575	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-61.3	-26.7	175.6	-166.6	64.6	-166.6	0	0	112.3	E70 R71	E68-E70 PolarHBondContact O-N 2.89Å; E68-R71 VanDerWaalsContact O-CB 3.23Å; E68-R71 WeakPolarHBondContact O-CB 3.15Å; E68-R71 PolarHBondContact O-N 3.13Å; E68-R71 VanDerWaalsContact O-N 3.09Å; E68-R71 IonicContact OE1-CZ 2.69Å; E68-R71 IonicContact OE1-NE 2.72Å; E68-R71 PolarHBondContact OE1-NE 3.41Å; E68-R71 IonicContact OE1-NH2 2.78Å; E68-R71 PolarHBondContact OE1-NH2 2.9Å; E68-R71 IonicContact OE2-NH2 2.66Å
69	S	81.9	Confident	87.7	Confident	104 Å²	104	39.7 Å²	39.7	73%	0.727	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-58.8	-27.1	171.9	24.6	0	0	0	0	114	S67 R71	S67-S69 VanDerWaalsContact CB-OG 3.26Å; S67-S69 WeakPolarHBondContact CB-OG 3.31Å; S67-S69 PolarHBondContact O-N 2.88Å; S67-S69 PolarHBondContact OG-OG 3.26Å; S69-R71 VanDerWaalsContact C-N 3.35Å
70	E	81.3	Confident	87.2	Confident	28 Å²	28	37.1 Å²	37.1	13%	0.131	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-82.8	-10.7	177.9	-67.9	158.3	125.8	0	0	112.7	F47 G48 I65 E66 S67 E68 K72 A73 F74	F47-E70 VanDerWaalsContact C-OE1 3.27Å; F47-E70 VanDerWaalsContact CA-OE1 3.27Å; F47-E70 WeakPolarHBondContact CA-OE1 3.25Å; G48-E70 PolarHBondContact N-OE1 2.92Å; I65-E70 HydrophobicContact CB-CB 3.98Å; I65-E70 HydrophobicContact CG2-CB 3.78Å; E66-E70 PolarHBondContact N-OE2 3.33Å; S67-E70 WeakPolarHBondContact CB-OE2 3.24Å; S67-E70 PolarHBondContact N-OE2 3.01Å; S67-E70 WeakPolarHBondContact O-CB 3.4Å; S67-E70 PolarHBondContact O-N 3.39Å; S67-E70 VanDerWaalsContact OG-CD 3.25Å; S67-E70 WeakPolarHBondContact OG-CG 3.3Å; S67-E70 PolarHBondContact OG-OE2 3.48Å; E68-E70 PolarHBondContact O-N 2.89Å; E70-K72 PolarHBondContact O-N 2.84Å; E70-K72 VanDerWaalsContact O-N 3.15Å; E70-A73 PolarHBondContact O-N 2.91Å; E70-F74 PolarHBondContact O-N 2.87Å
71	R	83.8	Confident	86.8	Confident	34 Å²	34	37.4 Å²	37.4	13%	0.128	19%	0.192	C	C	.	.	H	α-helix	trans	-52.2	-41.4	-178.8	-175.7	-165.1	-78.6	-127.1	1.2	112.2	E68 S69 A73 F74 I75 I399	E68-R71 VanDerWaalsContact O-CB 3.23Å; E68-R71 WeakPolarHBondContact O-CB 3.15Å; E68-R71 PolarHBondContact O-N 3.13Å; E68-R71 VanDerWaalsContact O-N 3.09Å; E68-R71 IonicContact OE1-CZ 2.69Å; E68-R71 IonicContact OE1-NE 2.72Å; E68-R71 PolarHBondContact OE1-NE 3.41Å; E68-R71 IonicContact OE1-NH2 2.78Å; E68-R71 PolarHBondContact OE1-NH2 2.9Å; E68-R71 IonicContact OE2-NH2 2.66Å; S69-R71 VanDerWaalsContact C-N 3.35Å; R71-A73 PolarHBondContact O-N 2.91Å; R71-F74 WeakPolarHBondContact O-CB 3.33Å; R71-F74 PolarHBondContact O-N 3.32Å; R71-I75 HydrophobicContact CG-CD1 3.79Å; R71-I75 HydrophobicContact CG-CG1 4.24Å; R71-I75 WeakPolarHBondContact O-CG1 3.38Å; R71-I75 PolarHBondContact O-N 2.88Å; R71-I399 VanDerWaalsContact NH1-CG2 3.27Å
72	K	81.6	Confident	86.5	Confident	121 Å²	121	38.3 Å²	38.3	53%	0.526	20%	0.198	S	C	.	.	H	α-helix	trans	-60.4	-44.8	178.6	-174.1	-167.8	177.2	-165.5	0	111.7	E70 V76 D181	E70-K72 PolarHBondContact O-N 2.84Å; E70-K72 VanDerWaalsContact O-N 3.15Å; K72-V76 WeakPolarHBondContact O-CG2 3.23Å; K72-V76 PolarHBondContact O-N 3.09Å; K72-V76 VanDerWaalsContact O-N 3.15Å; K72-D181 IonicContact NZ-OD2 3.13Å; K72-D181 PolarHBondContact NZ-OD2 3.2Å
73	A	79.9	Confident	86.2	Confident	15 Å²	15	41.2 Å²	41.2	12%	0.124	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-41.8	178	0	0	0	0	0	111.1	F47 E70 R71 I75 V76 E77	F47-A73 HydrophobicContact CD1-CB 3.54Å; F47-A73 HydrophobicContact CE1-CB 3.76Å; F47-A73 HydrophobicContact CG-CB 4.16Å; E70-A73 PolarHBondContact O-N 2.91Å; R71-A73 PolarHBondContact O-N 2.91Å; A73-I75 PolarHBondContact O-N 2.92Å; A73-V76 PolarHBondContact O-N 3.15Å; A73-E77 WeakPolarHBondContact O-CB 3.47Å; A73-E77 PolarHBondContact O-N 2.82Å
74	F	86.2	Confident	86.2	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.022	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-46.8	173.9	174.2	-86.5	0	0	0	112.7	I65 E70 R71 E77 L78 A95 V100 L102 I399	I65-F74 HydrophobicContact CG2-CB 3.93Å; I65-F74 HydrophobicContact CG2-CD2 4.13Å; I65-F74 HydrophobicContact CG2-CG 4.36Å; E70-F74 PolarHBondContact O-N 2.87Å; R71-F74 WeakPolarHBondContact O-CB 3.33Å; R71-F74 PolarHBondContact O-N 3.32Å; F74-E77 PolarHBondContact O-N 2.97Å; F74-L78 HydrophobicContact CE1-CB 4.46Å; F74-L78 HydrophobicContact CE1-CD2 3.88Å; F74-L78 HydrophobicContact CZ-CD2 4.34Å; F74-L78 VanDerWaalsContact O-CB 3.27Å; F74-L78 WeakPolarHBondContact O-CB 3.28Å; F74-L78 PolarHBondContact O-N 2.89Å; F74-A95 HydrophobicContact CZ-CB 4.31Å; F74-V100 HydrophobicContact CD1-CG1 3.5Å; F74-V100 HydrophobicContact CD2-CG1 3.75Å; F74-V100 HydrophobicContact CE1-CG1 3.38Å; F74-V100 HydrophobicContact CE2-CG1 3.59Å; F74-V100 HydrophobicContact CG-CG1 3.7Å; F74-V100 HydrophobicContact CZ-CG1 3.42Å; F74-V100 VanDerWaalsContact CZ-CG1 3.42Å; F74-L102 HydrophobicContact CD2-CD2 4.17Å; F74-L102 HydrophobicContact CD2-CG 4.06Å; F74-L102 HydrophobicContact CE2-CD2 3.53Å; F74-L102 HydrophobicContact CE2-CG 3.59Å; F74-L102 HydrophobicContact CZ-CD2 3.77Å; F74-L102 HydrophobicContact CZ-CG 4.33Å; F74-I399 HydrophobicContact CE1-CD1 4.47Å
75	I	84.9	Confident	86.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-38.3	-179.1	-66	174.5	0	0	0	111	R71 A73 R79 M392 I395 E396 I399	R71-I75 HydrophobicContact CG-CD1 3.79Å; R71-I75 HydrophobicContact CG-CG1 4.24Å; R71-I75 WeakPolarHBondContact O-CG1 3.38Å; R71-I75 PolarHBondContact O-N 2.88Å; A73-I75 PolarHBondContact O-N 2.92Å; I75-R79 VanDerWaalsContact O-CB 3.23Å; I75-R79 WeakPolarHBondContact O-CB 3.38Å; I75-R79 PolarHBondContact O-N 2.62Å; I75-M392 HydrophobicContact CB-CE 4Å; I75-M392 HydrophobicContact CG2-CE 3.48Å; I75-M392 VanDerWaalsContact CG2-CE 3.48Å; I75-M392 HydrophobicContact CG2-SD 3.56Å; I75-M392 VanDerWaalsContact CG2-SD 3.56Å; I75-I395 HydrophobicContact CD1-CG2 4.28Å; I75-I395 HydrophobicContact CG1-CG2 4.08Å; I75-I395 HydrophobicContact CG2-CB 4.08Å; I75-I395 HydrophobicContact CG2-CD1 3.68Å; I75-I395 HydrophobicContact CG2-CG2 3.9Å; I75-E396 HydrophobicContact CD1-CG 3.51Å; I75-I399 HydrophobicContact CD1-CD1 3.93Å; I75-I399 HydrophobicContact CG1-CD1 3.96Å
76	V	83.7	Confident	86.7	Confident	21 Å²	21	45.9 Å²	45.9	13%	0.127	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-50.7	171.1	165.2	0	0	0	0	110.6	K72 A73 R79 Q80 C180	K72-V76 WeakPolarHBondContact O-CG2 3.23Å; K72-V76 PolarHBondContact O-N 3.09Å; K72-V76 VanDerWaalsContact O-N 3.15Å; A73-V76 PolarHBondContact O-N 3.15Å; V76-R79 PolarHBondContact O-N 2.81Å; V76-Q80 WeakPolarHBondContact O-CG 3.41Å; V76-Q80 PolarHBondContact O-N 2.95Å; V76-C180 HydrophobicContact CG1-CB 3.77Å; V76-C180 HydrophobicContact CG2-CB 4.21Å
77	E	86.9	Confident	87.3	Confident	5 Å²	5	44.5 Å²	44.5	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-45.4	-178	-171.8	173.2	-159.8	0	0	111.9	K63 A73 F74 R79 Q80 L81 L102 F176	K63-E77 IonicContact NZ-OE1 2.71Å; K63-E77 PolarHBondContact NZ-OE1 2.75Å; K63-E77 IonicContact NZ-OE2 2.62Å; K63-E77 PolarHBondContact NZ-OE2 3.3Å; A73-E77 WeakPolarHBondContact O-CB 3.47Å; A73-E77 PolarHBondContact O-N 2.82Å; F74-E77 PolarHBondContact O-N 2.97Å; E77-R79 VanDerWaalsContact C-N 3.34Å; E77-R79 PolarHBondContact O-N 3.19Å; E77-Q80 PolarHBondContact O-N 2.72Å; E77-L81 HydrophobicContact CG-CD1 3.8Å; E77-L81 HydrophobicContact CG-CG 4.32Å; E77-L81 VanDerWaalsContact O-CB 3.3Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 WeakPolarHBondContact O-CG 3.32Å; E77-L81 PolarHBondContact O-N 2.78Å; E77-L102 HydrophobicContact CB-CD1 4.42Å; E77-L102 HydrophobicContact CG-CD1 3.82Å; E77-F176 HydrophobicContact CG-CB 4.2Å
78	L	89.9	Confident	88	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-47.7	172.9	177.9	55.8	0	0	0	111.3	F28 F74 Q80 L81 S82 L92 A95 L102	F28-L78 HydrophobicContact CB-CD1 4.3Å; F28-L78 HydrophobicContact CD1-CD1 4.15Å; F28-L78 HydrophobicContact CD1-CD2 4.35Å; F28-L78 HydrophobicContact CD1-CG 4.37Å; F28-L78 HydrophobicContact CD2-CD1 4.34Å; F28-L78 HydrophobicContact CE1-CD2 3.99Å; F28-L78 HydrophobicContact CE1-CG 4.45Å; F28-L78 HydrophobicContact CE2-CD2 4.4Å; F28-L78 HydrophobicContact CG-CD1 4.02Å; F28-L78 HydrophobicContact CZ-CD2 4.02Å; F74-L78 HydrophobicContact CE1-CB 4.46Å; F74-L78 HydrophobicContact CE1-CD2 3.88Å; F74-L78 HydrophobicContact CZ-CD2 4.34Å; F74-L78 VanDerWaalsContact O-CB 3.27Å; F74-L78 WeakPolarHBondContact O-CB 3.28Å; F74-L78 PolarHBondContact O-N 2.89Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; L78-Q80 PolarHBondContact O-N 2.94Å; L78-L81 PolarHBondContact O-N 3.16Å; L78-S82 WeakPolarHBondContact O-CB 3.4Å; L78-S82 PolarHBondContact O-N 3.07Å; L78-S82 PolarHBondContact O-OG 3.13Å; L78-L92 HydrophobicContact CD1-CD2 3.84Å; L78-A95 HydrophobicContact CD1-CB 3.99Å; L78-A95 HydrophobicContact CD2-CB 4.35Å; L78-L102 HydrophobicContact CB-CD2 3.91Å; L78-L102 HydrophobicContact CD1-CD2 3.88Å; L78-L102 HydrophobicContact CG-CD2 4.41Å
79	R	87.5	Confident	88.6	Confident	42 Å²	42	37.4 Å²	37.4	16%	0.158	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-34.1	179	177.2	171	-174.7	157.5	14.9	113.2	L26 I75 V76 E77 S82 R83 D391	L26-R79 HydrophobicContact CD1-CB 3.83Å; L26-R79 HydrophobicContact CD1-CG 4.04Å; L26-R79 HydrophobicContact CD2-CG 4.1Å; I75-R79 VanDerWaalsContact O-CB 3.23Å; I75-R79 WeakPolarHBondContact O-CB 3.38Å; I75-R79 PolarHBondContact O-N 2.62Å; V76-R79 PolarHBondContact O-N 2.81Å; E77-R79 VanDerWaalsContact C-N 3.34Å; E77-R79 PolarHBondContact O-N 3.19Å; R79-S82 PolarHBondContact O-OG 3.23Å; R79-R83 WeakPolarHBondContact O-CD 3.37Å; R79-R83 VanDerWaalsContact O-CG 3.23Å; R79-R83 WeakPolarHBondContact O-CG 3.27Å; R79-D391 IonicContact CZ-OD2 3.59Å; R79-D391 IonicContact NH1-OD2 2.69Å; R79-D391 PolarHBondContact NH1-OD2 3.33Å; R79-D391 IonicContact NH2-OD2 3.34Å; R79-D391 PolarHBondContact NH2-OD2 3.37Å
80	Q	87	Confident	89.2	Confident	20 Å²	20	32.7 Å²	32.7	9%	0.093	17%	0.166	C	C	.	.	H	α-helix	trans	-79.6	-44.8	175.7	-60.5	-49.6	-1	0	0	111.7	V76 E77 L78 S82 R83 V84 L152 F176 C180	V76-Q80 WeakPolarHBondContact O-CG 3.41Å; V76-Q80 PolarHBondContact O-N 2.95Å; E77-Q80 PolarHBondContact O-N 2.72Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; L78-Q80 PolarHBondContact O-N 2.94Å; Q80-S82 VanDerWaalsContact C-N 3.3Å; Q80-S82 PolarHBondContact O-N 2.93Å; Q80-R83 WeakPolarHBondContact O-CB 3.32Å; Q80-R83 PolarHBondContact O-N 2.93Å; Q80-V84 PolarHBondContact O-N 3.1Å; Q80-L152 HydrophobicContact CB-CD1 3.83Å; Q80-L152 HydrophobicContact CG-CD1 3.85Å; Q80-F176 HydrophobicContact CB-CB 4.17Å; Q80-C180 PolarHBondContact NE2-SG 3.46Å
81	L	89.3	Confident	89.9	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-32.9	179.1	-79.4	176.1	0	0	0	113	E77 L78 R83 V84 L92 L102 M104 F176	E77-L81 HydrophobicContact CG-CD1 3.8Å; E77-L81 HydrophobicContact CG-CG 4.32Å; E77-L81 VanDerWaalsContact O-CB 3.3Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 WeakPolarHBondContact O-CG 3.32Å; E77-L81 PolarHBondContact O-N 2.78Å; L78-L81 PolarHBondContact O-N 3.16Å; L81-R83 PolarHBondContact O-N 3.49Å; L81-V84 HydrophobicContact CD2-CG2 4.19Å; L81-L92 HydrophobicContact CB-CB 4.11Å; L81-L92 HydrophobicContact CB-CD1 4.47Å; L81-L92 HydrophobicContact CB-CD2 4.01Å; L81-L92 HydrophobicContact CB-CG 4.43Å; L81-L92 HydrophobicContact CD1-CD1 4.37Å; L81-L102 HydrophobicContact CD1-CD1 3.84Å; L81-M104 HydrophobicContact CD1-SD 3.93Å; L81-F176 HydrophobicContact CD2-CD2 3.47Å; L81-F176 VanDerWaalsContact CD2-CD2 3.47Å; L81-F176 HydrophobicContact CD2-CE2 3.66Å; L81-F176 HydrophobicContact CG-CD2 3.95Å
82	S	90.2	Very high	90.4	Very high	31 Å²	31	36.3 Å²	36.3	22%	0.217	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-6	173.5	78	0	0	0	0	114	L78 R79 Q80	L78-S82 WeakPolarHBondContact O-CB 3.4Å; L78-S82 PolarHBondContact O-N 3.07Å; L78-S82 PolarHBondContact O-OG 3.13Å; R79-S82 PolarHBondContact O-OG 3.23Å; Q80-S82 VanDerWaalsContact C-N 3.3Å; Q80-S82 PolarHBondContact O-N 2.93Å
83	R	89.4	Confident	91.1	Very high	61 Å²	61	33.3 Å²	33.3	23%	0.23	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-13.2	179.4	-69	172.6	68	-121.4	-3.9	113.6	R79 Q80 L81 M147 Q148	R79-R83 WeakPolarHBondContact O-CD 3.37Å; R79-R83 VanDerWaalsContact O-CG 3.23Å; R79-R83 WeakPolarHBondContact O-CG 3.27Å; Q80-R83 WeakPolarHBondContact O-CB 3.32Å; Q80-R83 PolarHBondContact O-N 2.93Å; L81-R83 PolarHBondContact O-N 3.49Å; R83-M147 HydrophobicContact CB-CE 3.87Å; R83-M147 WeakPolarHBondContact O-CE 3.41Å; R83-Q148 PolarHBondContact NH2-O 2.79Å
84	V	91.6	Very high	91.8	Very high	19 Å²	19	32.6 Å²	32.6	12%	0.115	16%	0.163	C	C	.	.			trans	-101.8	137.6	-176.9	-62.2	0	0	0	0	111.6	Q80 L81 I89 Y143 L144 M147	Q80-V84 PolarHBondContact O-N 3.1Å; L81-V84 HydrophobicContact CD2-CG2 4.19Å; V84-I89 HydrophobicContact CB-CD1 4.29Å; V84-I89 HydrophobicContact CB-CG2 4.36Å; V84-I89 HydrophobicContact CG1-CD1 4.5Å; V84-I89 HydrophobicContact CG2-CG2 3.79Å; V84-Y143 HydrophobicContact CB-CE1 3.95Å; V84-Y143 HydrophobicContact CG1-CE1 4.06Å; V84-L144 HydrophobicContact CG1-CD2 3.69Å; V84-M147 HydrophobicContact CG1-CE 3.86Å; V84-M147 HydrophobicContact CG1-SD 3.84Å
85	N	93.7	Very high	92.3	Very high	133 Å²	133	32.4 Å²	32.4	71%	0.711	16%	0.162	S	C	*	.			trans	-148.5	93.9	174	-177.6	19.8	0	0	0	108.9	Y143	N85-Y143 PolarHBondContact N-OH 3.43Å
86	H	97.4	Very high	92.7	Very high	39 Å²	39	32.4 Å²	32.4	18%	0.181	16%	0.162	C	C	.	.			trans	-149.1	139.9	-176.2	-174	-93.8	0	0	0	109.3	N88 I89 Y143	H86-N88 PolarHBondContact CE1-OD1 3.15Å; H86-N88 PolarHBondContact ND1-N 3.46Å; H86-N88 VanDerWaalsContact ND1-N 3.2Å; H86-N88 PolarHBondContact O-N 2.99Å; H86-N88 VanDerWaalsContact O-N 3.17Å; H86-I89 HydrophobicContact CB-CB 4.34Å; H86-I89 HydrophobicContact CB-CD1 3.91Å; H86-I89 HydrophobicContact CB-CG1 4.06Å; H86-I89 PolarHBondContact O-N 2.82Å; H86-I89 VanDerWaalsContact O-N 3.07Å; H86-Y143 HydrophobicContact CB-CD1 3.82Å; H86-Y143 HydrophobicContact CB-CD2 4.21Å; H86-Y143 HydrophobicContact CB-CE1 4.07Å; H86-Y143 HydrophobicContact CB-CE2 4.44Å; H86-Y143 HydrophobicContact CB-CG 3.9Å; H86-Y143 AromaticContact CD2-CD2 3.87Å; H86-Y143 AromaticContact CD2-CG 3.77Å; H86-Y143 AromaticContact CG-CG 3.92Å
87	P	98	Very high	93	Very high	88 Å²	88	31.6 Å²	31.6	57%	0.571	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.7	-176.9	19.9	-33.5	0	0	0	113.5	I89 K172	P87-I89 VanDerWaalsContact C-N 3.32Å; P87-I89 PolarHBondContact O-N 2.9Å; P87-K172 PolarHBondContact O-NZ 3.24Å
88	N	98.5	Very high	93.1	Very high	10 Å²	10	35 Å²	35	5%	0.053	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	24.3	-179.5	-51	106.6	0	0	0	114.5	H86 Q136 L171 K172 I173	H86-N88 PolarHBondContact CE1-OD1 3.15Å; H86-N88 PolarHBondContact ND1-N 3.46Å; H86-N88 VanDerWaalsContact ND1-N 3.2Å; H86-N88 PolarHBondContact O-N 2.99Å; H86-N88 VanDerWaalsContact O-N 3.17Å; N88-Q136 HydrophobicContact CB-CB 4.5Å; N88-Q136 VanDerWaalsContact CB-O 3.29Å; N88-Q136 WeakPolarHBondContact CB-O 3.29Å; N88-Q136 WeakPolarHBondContact ND2-CB 3.46Å; N88-Q136 WeakPolarHBondContact ND2-CG 3.44Å; N88-Q136 PolarHBondContact ND2-OE1 3.34Å; N88-L171 VanDerWaalsContact CA-O 3.27Å; N88-L171 WeakPolarHBondContact CA-O 3.38Å; N88-L171 VanDerWaalsContact CB-O 3.31Å; N88-L171 WeakPolarHBondContact CB-O 3.41Å; N88-L171 PolarHBondContact ND2-O 3.39Å; N88-K172 WeakPolarHBondContact O-CA 3.17Å; N88-I173 WeakPolarHBondContact O-CG1 3.44Å; N88-I173 PolarHBondContact O-N 3.01Å
89	I	97.2	Very high	93.2	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-125.1	146.3	169	-62.8	178.3	0	0	0	107.5	V84 H86 P87 K91 Y143 L144 K172 I173 F176	V84-I89 HydrophobicContact CB-CD1 4.29Å; V84-I89 HydrophobicContact CB-CG2 4.36Å; V84-I89 HydrophobicContact CG1-CD1 4.5Å; V84-I89 HydrophobicContact CG2-CG2 3.79Å; H86-I89 HydrophobicContact CB-CB 4.34Å; H86-I89 HydrophobicContact CB-CD1 3.91Å; H86-I89 HydrophobicContact CB-CG1 4.06Å; H86-I89 PolarHBondContact O-N 2.82Å; H86-I89 VanDerWaalsContact O-N 3.07Å; P87-I89 VanDerWaalsContact C-N 3.32Å; P87-I89 PolarHBondContact O-N 2.9Å; I89-K91 PolarHBondContact O-N 3.45Å; I89-Y143 HydrophobicContact CD1-CD1 3.62Å; I89-Y143 HydrophobicContact CD1-CE1 4.04Å; I89-L144 HydrophobicContact CD1-CD1 4.42Å; I89-L144 HydrophobicContact CD1-CD2 3.68Å; I89-L144 HydrophobicContact CD1-CG 3.9Å; I89-K172 PolarHBondContact O-NZ 3.32Å; I89-I173 HydrophobicContact CG1-CB 4.47Å; I89-F176 HydrophobicContact CD1-CZ 4.47Å; I89-F176 HydrophobicContact CG2-CE2 3.72Å; I89-F176 HydrophobicContact CG2-CZ 3.64Å
90	V	96.2	Very high	93.4	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.03	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-64	124	174.4	168.9	0	0	0	0	110.2	L92 M104 E105 L163 K172 I173 C174	V90-L92 PolarHBondContact O-N 2.93Å; V90-M104 HydrophobicContact CG1-CB 3.82Å; V90-M104 HydrophobicContact CG1-CG 4.18Å; V90-M104 HydrophobicContact CG1-SD 3.9Å; V90-E105 WeakPolarHBondContact CA-OE1 3.35Å; V90-E105 HydrophobicContact CG1-CG 4.28Å; V90-L163 HydrophobicContact CG2-CD1 3.92Å; V90-K172 HydrophobicContact CG2-CB 3.93Å; V90-I173 PolarHBondContact N-O 3.01Å; V90-C174 HydrophobicContact CB-CB 4.25Å; V90-C174 HydrophobicContact CG2-CB 3.7Å
91	K	94.8	Very high	93.8	Very high	116 Å²	116	34.6 Å²	34.6	50%	0.504	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-76.1	119.6	177.4	179.3	166.2	-178.6	167.8	0	110.7	I89 Y93 M104 E105	I89-K91 PolarHBondContact O-N 3.45Å; K91-Y93 HydrophobicContact CD-CD1 4.33Å; K91-Y93 HydrophobicContact CD-CE1 3.9Å; K91-Y93 HydrophobicContact CG-CD1 4.24Å; K91-Y93 HydrophobicContact CG-CE1 4.09Å; K91-M104 CarbonylContact O-C 3.55Å; K91-M104 VanDerWaalsContact O-CA 3.3Å; K91-M104 WeakPolarHBondContact O-CA 3.41Å; K91-E105 HydrophobicContact CB-CG 4.24Å; K91-E105 VanDerWaalsContact CB-OE1 3.32Å; K91-E105 WeakPolarHBondContact CB-OE1 3.3Å; K91-E105 PolarHBondContact N-OE1 2.91Å; K91-E105 PolarHBondContact O-N 2.93Å
92	L	95.1	Very high	94	Very high	22 Å²	22	34.3 Å²	34.3	12%	0.115	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	135.3	159.9	-169.9	72	0	0	0	109.6	F28 L78 L81 V90 G94 L102 M104	F28-L92 HydrophobicContact CB-CD2 4.41Å; L78-L92 HydrophobicContact CD1-CD2 3.84Å; L81-L92 HydrophobicContact CB-CB 4.11Å; L81-L92 HydrophobicContact CB-CD1 4.47Å; L81-L92 HydrophobicContact CB-CD2 4.01Å; L81-L92 HydrophobicContact CB-CG 4.43Å; L81-L92 HydrophobicContact CD1-CD1 4.37Å; V90-L92 PolarHBondContact O-N 2.93Å; L92-G94 WeakPolarHBondContact CD1-O 3.48Å; L92-L102 HydrophobicContact CD1-CB 4.14Å; L92-L102 HydrophobicContact CD1-CD2 4.18Å; L92-M104 HydrophobicContact CD1-CG 4Å
93	Y	95.3	Very high	94.3	Very high	59 Å²	59	32.9 Å²	32.9	23%	0.231	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-43.7	165	-62.5	-47.4	0	0	0	110.9	W55 V60 K91 V103 E105	W55-Y93 HydrophobicContact CE3-CD2 4.4Å; W55-Y93 HydrophobicContact CZ3-CD2 4.33Å; W55-Y93 HydrophobicContact CZ3-CG 4.05Å; V60-Y93 HydrophobicContact CG1-CD2 3.89Å; V60-Y93 HydrophobicContact CG1-CE2 3.83Å; K91-Y93 HydrophobicContact CD-CD1 4.33Å; K91-Y93 HydrophobicContact CD-CE1 3.9Å; K91-Y93 HydrophobicContact CG-CD1 4.24Å; K91-Y93 HydrophobicContact CG-CE1 4.09Å; Y93-V103 PolarHBondContact N-O 3.37Å; Y93-E105 HydrophobicContact CE2-CB 4.13Å; Y93-E105 WeakPolarHBondContact OH-CB 3.3Å
94	G	95.3	Very high	94.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-164.5	179.9	0	0	0	0	0	112.4	E29 L92 V103	E29-G94 CarbonylContact O-C 3.57Å; E29-G94 WeakPolarHBondContact O-CA 3.13Å; L92-G94 WeakPolarHBondContact CD1-O 3.48Å; G94-V103 PolarHBondContact N-O 2.96Å; G94-V103 PolarHBondContact O-N 2.65Å
95	A	95.6	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.9	175.8	0	0	0	0	0	111.6	F28 E29 E30 I31 F74 L78 C101 L102	F28-A95 HydrophobicContact CD2-CB 4.05Å; F28-A95 HydrophobicContact CE2-CB 4.12Å; E29-A95 PolarHBondContact O-N 3.31Å; E30-A95 WeakPolarHBondContact CA-O 3.33Å; I31-A95 PolarHBondContact N-O 2.9Å; F74-A95 HydrophobicContact CZ-CB 4.31Å; L78-A95 HydrophobicContact CD1-CB 3.99Å; L78-A95 HydrophobicContact CD2-CB 4.35Å; A95-C101 CarbonylContact C-O 3.56Å; A95-C101 VanDerWaalsContact CA-O 3.28Å; A95-C101 WeakPolarHBondContact CA-O 3.08Å; A95-L102 HydrophobicContact CB-CD2 4.44Å
96	C	94.7	Very high	94.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.6	165.6	-57	0	0	0	0	108.9	I31 Y33 I36 P99 V100 C101	I31-C96 PolarHBondContact O-SG 3.28Å; Y33-C96 HydrophobicContact CD2-CB 4.3Å; I36-C96 VanDerWaalsContact CD1-SG 3.53Å; C96-P99 CarbonylContact C-O 3.4Å; C96-P99 VanDerWaalsContact CB-O 3.25Å; C96-P99 WeakPolarHBondContact CB-O 3.4Å; C96-V100 WeakPolarHBondContact O-CA 3.28Å; C96-C101 PolarHBondContact N-O 3.47Å; C96-C101 PolarHBondContact O-N 2.92Å; C96-C101 VanDerWaalsContact O-N 3.13Å
97	L	90.3	Very high	94.9	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-10.7	176.2	-49.2	-168.9	0	0	0	113.1	F28 E30 V100 R398 I399 T402	F28-L97 HydrophobicContact CE2-CD2 4.19Å; F28-L97 HydrophobicContact CZ-CD2 4.32Å; E30-L97 VanDerWaalsContact CD-CD1 3.5Å; E30-L97 HydrophobicContact CG-CD1 4.37Å; E30-L97 HydrophobicContact CG-CG 4.08Å; E30-L97 WeakPolarHBondContact OE1-CD1 3.4Å; E30-L97 WeakPolarHBondContact OE1-CG 3.38Å; L97-V100 WeakPolarHBondContact O-CG2 3.34Å; L97-R398 HydrophobicContact CD1-CB 4.2Å; L97-I399 HydrophobicContact CB-CG1 4.46Å; L97-I399 HydrophobicContact CD1-CG1 4.42Å; L97-I399 HydrophobicContact CD2-CG1 3.99Å; L97-T402 HydrophobicContact CB-CG2 4.3Å
98	N	89	Confident	94.7	Very high	78 Å²	78	27.1 Å²	27.1	42%	0.417	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-156.8	105.8	175.9	-170.9	1.8	0	0	0	111.6	T402 S406	N98-T402 HydrophobicContact CB-CG2 3.71Å; N98-S406 PolarHBondContact ND2-OG 2.64Å
99	P	91.8	Very high	94.4	Very high	38 Å²	38	27.4 Å²	27.4	25%	0.247	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	cis	-60.7	162.1	-11.5	30.2	-37.3	0	0	0	111.8	Y33 C96 C101	Y33-P99 HydrophobicContact CD1-CG 4.05Å; Y33-P99 HydrophobicContact CD2-CG 3.58Å; Y33-P99 HydrophobicContact CE1-CG 3.94Å; Y33-P99 HydrophobicContact CE2-CG 3.46Å; Y33-P99 VanDerWaalsContact CE2-CG 3.46Å; Y33-P99 HydrophobicContact CG-CG 3.87Å; C96-P99 CarbonylContact C-O 3.4Å; C96-P99 VanDerWaalsContact CB-O 3.25Å; C96-P99 WeakPolarHBondContact CB-O 3.4Å; P99-C101 PolarHBondContact O-N 2.68Å
100	V	92	Very high	94.3	Very high	15 Å²	15	28.6 Å²	28.6	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.8	-178.9	177.4	0	0	0	0	109.6	I65 F74 C96 L97 I399	I65-V100 HydrophobicContact CD1-CB 3.81Å; I65-V100 HydrophobicContact CD1-CG1 3.79Å; I65-V100 HydrophobicContact CD1-CG2 4.5Å; I65-V100 HydrophobicContact CG1-CB 4.02Å; I65-V100 HydrophobicContact CG1-CG1 4.21Å; I65-V100 PolarHBondContact N-O 3.47Å; F74-V100 HydrophobicContact CD1-CG1 3.5Å; F74-V100 HydrophobicContact CD2-CG1 3.75Å; F74-V100 HydrophobicContact CE1-CG1 3.38Å; F74-V100 HydrophobicContact CE2-CG1 3.59Å; F74-V100 HydrophobicContact CG-CG1 3.7Å; F74-V100 HydrophobicContact CZ-CG1 3.42Å; F74-V100 VanDerWaalsContact CZ-CG1 3.42Å; C96-V100 WeakPolarHBondContact O-CA 3.28Å; L97-V100 WeakPolarHBondContact O-CG2 3.34Å; V100-I399 HydrophobicContact CG2-CG2 3.84Å
101	C	93.7	Very high	94.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.1	176.2	68.2	0	0	0	0	114.1	K63 Q64 A95 C96 P99	K63-C101 CarbonylContact O-C 3.51Å; K63-C101 WeakPolarHBondContact O-CA 3.23Å; K63-C101 VanDerWaalsContact O-CB 3.3Å; K63-C101 WeakPolarHBondContact O-CB 3.07Å; Q64-C101 HydrophobicContact CB-CB 3.77Å; Q64-C101 HydrophobicContact CG-CB 4.2Å; A95-C101 CarbonylContact C-O 3.56Å; A95-C101 VanDerWaalsContact CA-O 3.28Å; A95-C101 WeakPolarHBondContact CA-O 3.08Å; C96-C101 PolarHBondContact N-O 3.47Å; C96-C101 PolarHBondContact O-N 2.92Å; C96-C101 VanDerWaalsContact O-N 3.13Å; P99-C101 PolarHBondContact O-N 2.68Å
102	L	94.3	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	141	171.5	-57	175.2	0	0	0	109.1	I62 K63 F74 E77 L78 L81 L92 A95 M104	I62-L102 CarbonylContact C-O 3.58Å; I62-L102 VanDerWaalsContact CA-O 3.23Å; I62-L102 WeakPolarHBondContact CA-O 3.16Å; K63-L102 HydrophobicContact CB-CB 4.3Å; K63-L102 HydrophobicContact CD-CD1 4.29Å; K63-L102 PolarHBondContact N-O 2.76Å; K63-L102 PolarHBondContact O-N 2.99Å; F74-L102 HydrophobicContact CD2-CD2 4.17Å; F74-L102 HydrophobicContact CD2-CG 4.06Å; F74-L102 HydrophobicContact CE2-CD2 3.53Å; F74-L102 HydrophobicContact CE2-CG 3.59Å; F74-L102 HydrophobicContact CZ-CD2 3.77Å; F74-L102 HydrophobicContact CZ-CG 4.33Å; E77-L102 HydrophobicContact CB-CD1 4.42Å; E77-L102 HydrophobicContact CG-CD1 3.82Å; L78-L102 HydrophobicContact CB-CD2 3.91Å; L78-L102 HydrophobicContact CD1-CD2 3.88Å; L78-L102 HydrophobicContact CG-CD2 4.41Å; L81-L102 HydrophobicContact CD1-CD1 3.84Å; L92-L102 HydrophobicContact CD1-CB 4.14Å; L92-L102 HydrophobicContact CD1-CD2 4.18Å; A95-L102 HydrophobicContact CB-CD2 4.44Å; L102-M104 HydrophobicContact CB-CE 4.32Å; L102-M104 HydrophobicContact CB-CG 4.39Å; L102-M104 HydrophobicContact CB-SD 4.42Å
103	V	95.9	Very high	94.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.1	174.8	-171.3	0	0	0	0	108.6	I31 I36 V60 I62 Y93 G94	I31-V103 HydrophobicContact CD1-CB 3.81Å; I31-V103 HydrophobicContact CD1-CG1 4.13Å; I31-V103 HydrophobicContact CD1-CG2 3.78Å; I36-V103 HydrophobicContact CD1-CG2 3.75Å; V60-V103 HydrophobicContact CB-CG1 4.03Å; V60-V103 HydrophobicContact CG1-CG1 4.22Å; V60-V103 HydrophobicContact CG2-CG1 4Å; I62-V103 HydrophobicContact CG2-CG1 4.38Å; I62-V103 HydrophobicContact CG2-CG2 4.21Å; Y93-V103 PolarHBondContact N-O 3.37Å; G94-V103 PolarHBondContact N-O 2.96Å; G94-V103 PolarHBondContact O-N 2.65Å
104	M	95.8	Very high	94.5	Very high	17 Å²	17	27 Å²	27	8%	0.084	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	167.3	-169.1	-62.4	176.3	-69.2	0	0	111.6	V60 A61 K63 L81 V90 K91 L92 L102 Y106	V60-M104 CarbonylContact C-O 3.55Å; V60-M104 VanDerWaalsContact CA-O 3.3Å; V60-M104 WeakPolarHBondContact CA-O 3.26Å; V60-M104 VanDerWaalsContact CB-O 3.32Å; V60-M104 WeakPolarHBondContact CB-O 3.32Å; A61-M104 PolarHBondContact N-O 2.88Å; A61-M104 PolarHBondContact O-N 2.86Å; K63-M104 HydrophobicContact CB-CE 3.75Å; L81-M104 HydrophobicContact CD1-SD 3.93Å; V90-M104 HydrophobicContact CG1-CB 3.82Å; V90-M104 HydrophobicContact CG1-CG 4.18Å; V90-M104 HydrophobicContact CG1-SD 3.9Å; K91-M104 CarbonylContact O-C 3.55Å; K91-M104 VanDerWaalsContact O-CA 3.3Å; K91-M104 WeakPolarHBondContact O-CA 3.41Å; L92-M104 HydrophobicContact CD1-CG 4Å; L102-M104 HydrophobicContact CB-CE 4.32Å; L102-M104 HydrophobicContact CB-CG 4.39Å; L102-M104 HydrophobicContact CB-SD 4.42Å; M104-Y106 PolarHBondContact O-N 2.96Å
105	E	95.4	Very high	94.6	Very high	31 Å²	31	27.1 Å²	27.1	15%	0.145	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	134.8	169.3	71.6	-170.4	138.8	0	0	111.4	V90 K91 Y93 K172	V90-E105 WeakPolarHBondContact CA-OE1 3.35Å; V90-E105 HydrophobicContact CG1-CG 4.28Å; K91-E105 HydrophobicContact CB-CG 4.24Å; K91-E105 VanDerWaalsContact CB-OE1 3.32Å; K91-E105 WeakPolarHBondContact CB-OE1 3.3Å; K91-E105 PolarHBondContact N-OE1 2.91Å; K91-E105 PolarHBondContact O-N 2.93Å; Y93-E105 HydrophobicContact CE2-CB 4.13Å; Y93-E105 WeakPolarHBondContact OH-CB 3.3Å; E105-K172 WeakPolarHBondContact OE1-CD 3.43Å; E105-K172 WeakPolarHBondContact OE1-CE 3.31Å; E105-K172 IonicContact OE1-NZ 2.78Å; E105-K172 PolarHBondContact OE1-NZ 3.47Å; E105-K172 WeakPolarHBondContact OE2-CE 3.5Å; E105-K172 IonicContact OE2-NZ 3.16Å; E105-K172 PolarHBondContact OE2-NZ 3.37Å; E105-K172 VanDerWaalsContact OE2-NZ 3.1Å
106	Y	96.8	Very high	94.6	Very high	60 Å²	60	27.2 Å²	27.2	24%	0.235	15%	0.148	C	C	.	.			trans	-74.4	142.6	172.3	-174.2	-105.8	0	0	0	110.3	V42 K52 A61 M104 E108	V42-Y106 HydrophobicContact CG1-CE2 4.25Å; K52-Y106 HydrophobicContact CB-CD2 4.22Å; K52-Y106 HydrophobicContact CB-CE2 3.77Å; K52-Y106 HydrophobicContact CD-CD2 4.43Å; K52-Y106 HydrophobicContact CD-CE1 4.08Å; K52-Y106 HydrophobicContact CD-CE2 3.88Å; K52-Y106 HydrophobicContact CG-CD2 3.91Å; K52-Y106 HydrophobicContact CG-CE2 3.68Å; K52-Y106 HydrophobicContact CG-CG 4.46Å; A61-Y106 HydrophobicContact CB-CD2 4.29Å; M104-Y106 PolarHBondContact O-N 2.96Å; Y106-E108 HydrophobicContact CD1-CB 4.42Å; Y106-E108 HydrophobicContact CE1-CB 4.18Å
107	A	96.4	Very high	94.7	Very high	9 Å²	9	28.6 Å²	28.6	7%	0.074	16%	0.155	C	C	.	.			trans	-115	105.2	179.1	0	0	0	0	0	111.3	G109 G110 L163 V165	A107-G109 VanDerWaalsContact C-N 3.34Å; A107-G109 PolarHBondContact O-N 2.88Å; A107-G110 PolarHBondContact O-N 3.24Å; A107-L163 HydrophobicContact CB-CB 3.72Å; A107-L163 HydrophobicContact CB-CD1 3.86Å; A107-L163 HydrophobicContact CB-CG 4.38Å; A107-V165 HydrophobicContact CB-CG1 3.6Å
108	E	94.1	Very high	94.8	Very high	102 Å²	102	29.7 Å²	29.7	48%	0.477	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-19.2	-167.2	84	-67.8	172.9	0	0	114.4	Y106 G110 V165 A166 G167	Y106-E108 HydrophobicContact CD1-CB 4.42Å; Y106-E108 HydrophobicContact CE1-CB 4.18Å; E108-G110 VanDerWaalsContact C-N 3.3Å; E108-V165 WeakPolarHBondContact OE2-CA 3.38Å; E108-V165 WeakPolarHBondContact OE2-CB 3.46Å; E108-A166 WeakPolarHBondContact OE1-CA 3.41Å; E108-A166 PolarHBondContact OE1-N 2.81Å; E108-G167 PolarHBondContact OE1-N 3.34Å
109	G	93.2	Very high	94.9	Very high	16 Å²	16	30.1 Å²	30.1	17%	0.165	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.4	171.7	0	0	0	0	0	114.3	A107 L164	A107-G109 VanDerWaalsContact C-N 3.34Å; A107-G109 PolarHBondContact O-N 2.88Å; G109-L164 VanDerWaalsContact CA-O 3.24Å; G109-L164 WeakPolarHBondContact CA-O 3.46Å; G109-L164 PolarHBondContact N-O 3.26Å
110	G	94.6	Very high	95	Very high	28 Å²	28	36 Å²	36	29%	0.289	21%	0.205	S	C	.	.			trans	65	-150.9	-175.8	0	0	0	0	0	112.8	A107 E108 L163 L164	A107-G110 PolarHBondContact O-N 3.24Å; E108-G110 VanDerWaalsContact C-N 3.3Å; G110-L163 CarbonylContact O-C 3.46Å; G110-L163 VanDerWaalsContact O-CA 3.29Å; G110-L163 WeakPolarHBondContact O-CA 3.49Å; G110-L164 PolarHBondContact O-N 3.27Å
111	S	95.9	Very high	95.1	Very high	16 Å²	16	37.5 Å²	37.5	11%	0.112	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-85.9	149.4	176.1	69.3	0	0	0	0	112.3	Y113 N114 V115 L162	S111-Y113 PolarHBondContact O-N 3.39Å; S111-N114 PolarHBondContact O-N 3.16Å; S111-N114 PolarHBondContact OG-N 2.93Å; S111-N114 PolarHBondContact OG-OD1 3.29Å; S111-V115 PolarHBondContact O-N 2.97Å; S111-V115 VanDerWaalsContact O-N 3.11Å; S111-L162 CarbonylContact C-O 3.6Å; S111-L162 WeakPolarHBondContact CA-O 3.39Å
112	L	98	Very high	95.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-57.7	-33.4	171.3	178.6	63.5	0	0	0	111	N114 V115 L116 W133 P159 L162 L164 L171 V222	L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.32Å; L112-V115 PolarHBondContact O-N 3.28Å; L112-L116 HydrophobicContact CD1-CD1 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.12Å; L112-L116 HydrophobicContact CG-CD1 3.95Å; L112-L116 HydrophobicContact CG-CG 4.27Å; L112-L116 WeakPolarHBondContact O-CB 3.16Å; L112-L116 VanDerWaalsContact O-CG 3.24Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 2.65Å; L112-W133 HydrophobicContact CD1-CD2 3.92Å; L112-W133 HydrophobicContact CD1-CE3 3.58Å; L112-W133 HydrophobicContact CD1-CH2 4.31Å; L112-W133 HydrophobicContact CD1-CZ3 3.8Å; L112-P159 HydrophobicContact CB-CB 4.2Å; L112-P159 HydrophobicContact CD2-CB 4.28Å; L112-P159 HydrophobicContact CG-CB 4.19Å; L112-P159 PolarHBondContact N-O 3.47Å; L112-L162 HydrophobicContact CB-CB 4.16Å; L112-L162 WeakPolarHBondContact CB-O 3.39Å; L112-L162 HydrophobicContact CD2-CB 4.43Å; L112-L162 HydrophobicContact CD2-CD1 4.05Å; L112-L162 PolarHBondContact N-O 2.65Å; L112-L164 HydrophobicContact CB-CD1 4.49Å; L112-L164 HydrophobicContact CD1-CD1 4.03Å; L112-L171 HydrophobicContact CD2-CD1 4.09Å; L112-V222 HydrophobicContact CD1-CG1 4.43Å; L112-V222 HydrophobicContact CD2-CG1 3.97Å
113	Y	96.5	Very high	95.2	Very high	58 Å²	58	39.9 Å²	39.9	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-43.5	173.2	-168.3	-93.6	0	0	0	112.6	S111 L116 H117 P159 P160 W195 K227	S111-Y113 PolarHBondContact O-N 3.39Å; Y113-L116 PolarHBondContact O-N 2.68Å; Y113-H117 AromaticContact CD2-CD2 3.73Å; Y113-H117 AromaticContact CE2-CD2 3.64Å; Y113-H117 PolarHBondContact O-N 2.93Å; Y113-P159 HydrophobicContact CD2-CB 4.38Å; Y113-P159 PolarHBondContact N-O 2.76Å; Y113-P160 HydrophobicContact CD2-CG 3.99Å; Y113-P160 HydrophobicContact CG-CG 3.94Å; Y113-W195 HydrophobicContact CE2-CH2 4.19Å; Y113-K227 WeakPolarHBondContact OH-CE 3.43Å; Y113-K227 PolarHBondContact OH-NZ 3.18Å
114	N	94.6	Very high	95.2	Very high	93 Å²	93	46.3 Å²	46.3	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-70.7	-36.6	179	-70.3	5.4	0	0	0	111.5	S111 L112 L116 G118	S111-N114 PolarHBondContact O-N 3.16Å; S111-N114 PolarHBondContact OG-N 2.93Å; S111-N114 PolarHBondContact OG-OD1 3.29Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.32Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 2.75Å; N114-G118 VanDerWaalsContact O-CA 3.26Å; N114-G118 WeakPolarHBondContact O-CA 3.38Å; N114-G118 PolarHBondContact O-N 2.97Å
115	V	97	Very high	95.3	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-34.4	173.1	160.4	0	0	0	0	112.2	S111 L112 P123 W133 L164 R225 L298	S111-V115 PolarHBondContact O-N 2.97Å; S111-V115 VanDerWaalsContact O-N 3.11Å; L112-V115 PolarHBondContact O-N 3.28Å; V115-P123 HydrophobicContact CB-CG 4.49Å; V115-P123 HydrophobicContact CG1-CG 3.97Å; V115-P123 HydrophobicContact CG2-CG 4.43Å; V115-W133 HydrophobicContact CG1-CH2 3.99Å; V115-W133 HydrophobicContact CG1-CZ2 4.45Å; V115-L164 HydrophobicContact CB-CD1 4.02Å; V115-L164 HydrophobicContact CG1-CD1 4.06Å; V115-L164 HydrophobicContact CG2-CD1 3.83Å; V115-R225 PolarHBondContact O-NH2 2.97Å; V115-L298 HydrophobicContact CG1-CD1 3.79Å; V115-L298 HydrophobicContact CG2-CD1 4.2Å
116	L	97.5	Very high	95.4	Very high	1 Å²	1	46 Å²	46	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-79.6	-51.1	177.5	-67.9	171.9	0	0	0	112.9	L112 Y113 N114 Y125 E221 V222 R225	L112-L116 HydrophobicContact CD1-CD1 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.12Å; L112-L116 HydrophobicContact CG-CD1 3.95Å; L112-L116 HydrophobicContact CG-CG 4.27Å; L112-L116 WeakPolarHBondContact O-CB 3.16Å; L112-L116 VanDerWaalsContact O-CG 3.24Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 2.65Å; Y113-L116 PolarHBondContact O-N 2.68Å; N114-L116 VanDerWaalsContact C-N 3.33Å; N114-L116 PolarHBondContact O-N 2.75Å; L116-Y125 HydrophobicContact CD2-CE1 3.76Å; L116-Y125 WeakPolarHBondContact CD2-OH 3.23Å; L116-E221 HydrophobicContact CD1-CG 3.89Å; L116-V222 HydrophobicContact CD1-CG1 4.09Å; L116-V222 HydrophobicContact CD2-CG1 4.37Å; L116-R225 HydrophobicContact CD2-CG 4.27Å; L116-R225 PolarHBondContact O-NE 2.67Å
117	H	96.2	Very high	95.4	Very high	30 Å²	30	44.6 Å²	44.6	14%	0.139	26%	0.255	C	S	.	.	H	α-helix	trans	-135.6	15.2	-163.6	-36.3	-75	0	0	0	114.7	Y113 E221 R226	Y113-H117 AromaticContact CD2-CD2 3.73Å; Y113-H117 AromaticContact CE2-CD2 3.64Å; Y113-H117 PolarHBondContact O-N 2.93Å; H117-E221 IonicContact CD2-OE1 3.99Å; H117-E221 IonicContact CE1-OE1 2.94Å; H117-E221 IonicContact NE2-OE1 3.21Å; H117-E221 PolarHBondContact NE2-OE1 3.03Å; H117-R226 VanDerWaalsContact CE1-C 3.41Å
118	G	93.1	Very high	95.5	Very high	26 Å²	26	44.4 Å²	44.4	27%	0.268	25%	0.254	S	S	.	.	S	Bend	trans	-74.7	-160.5	178.9	0	0	0	0	0	113.9	N114	N114-G118 VanDerWaalsContact O-CA 3.26Å; N114-G118 WeakPolarHBondContact O-CA 3.38Å; N114-G118 PolarHBondContact O-N 2.97Å
119	A	91.1	Very high	95.7	Very high	88 Å²	88	40 Å²	40	73%	0.727	23%	0.233	S	C	*	.	S	Bend	trans	-66.8	147.4	176.3	0	0	0	0	0	112
120	E	92.5	Very high	96	Very high	160 Å²	160	39.3 Å²	39.3	75%	0.748	23%	0.226	S	C	*	.	S	Bend	trans	-73.6	151.5	170.5	-70.4	-170.5	-178.2	0	0	111.8	L122	E120-L122 HydrophobicContact CG-CG 4.39Å
121	P	94.1	Very high	96.2	Very high	48 Å²	48	38.1 Å²	38.1	31%	0.312	21%	0.213	S	C	.	.	S	Bend	cis	-75.5	121.8	0.8	28.3	-33.6	0	0	0	113.7	P301	P121-P301 HydrophobicContact CB-CG 3.89Å
122	L	94.5	Very high	96.3	Very high	46 Å²	46	38 Å²	38	24%	0.241	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-73.3	140	175.7	-74	175.5	0	0	0	111.2	E120 P301	E120-L122 HydrophobicContact CG-CG 4.39Å; L122-P301 WeakPolarHBondContact O-CD 3.49Å
123	P	95.9	Very high	96.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.019	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-71.6	151.8	179.9	28.9	-34.2	0	0	0	111.9	V115 R225 L298 Y300	V115-P123 HydrophobicContact CB-CG 4.49Å; V115-P123 HydrophobicContact CG1-CG 3.97Å; V115-P123 HydrophobicContact CG2-CG 4.43Å; P123-R225 PolarHBondContact O-NH1 2.83Å; P123-R225 PolarHBondContact O-NH2 2.87Å; P123-L298 HydrophobicContact CB-CB 4.28Å; P123-L298 HydrophobicContact CG-CD1 4.36Å; P123-Y300 HydrophobicContact CB-CD1 3.87Å; P123-Y300 HydrophobicContact CB-CD2 4.3Å; P123-Y300 HydrophobicContact CB-CE1 3.76Å; P123-Y300 HydrophobicContact CB-CE2 4.19Å; P123-Y300 HydrophobicContact CB-CG 4.14Å; P123-Y300 HydrophobicContact CG-CD1 4.34Å; P123-Y300 HydrophobicContact CG-CE1 3.8Å
124	Y	95.7	Very high	96.5	Very high	136 Å²	136	35.4 Å²	35.4	53%	0.533	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-82.1	136.2	166.9	175.4	-97.6	0	0	0	110.3	T126 L298 Q299	Y124-T126 HydrophobicContact CE1-CG2 3.85Å; Y124-L298 WeakPolarHBondContact O-CD2 3.38Å; Y124-Q299 PolarHBondContact N-O 2.85Å
125	Y	97.8	Very high	96.7	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.012	18%	0.183	C	C	.	.			trans	-136.3	157.9	174.7	71.3	-96.1	0	0	0	110.6	L116 H129 A130 W133 V222 R225	L116-Y125 HydrophobicContact CD2-CE1 3.76Å; L116-Y125 WeakPolarHBondContact CD2-OH 3.23Å; Y125-H129 HydrophobicContact CD2-CB 4.35Å; Y125-A130 HydrophobicContact CE2-CB 4.18Å; Y125-W133 HydrophobicContact CD1-CH2 4.1Å; Y125-W133 HydrophobicContact CD1-CZ3 4.27Å; Y125-W133 AromaticContact CD2-CH2 4Å; Y125-W133 HydrophobicContact CD2-CH2 4Å; Y125-W133 AromaticContact CD2-CZ3 3.75Å; Y125-W133 HydrophobicContact CD2-CZ3 3.75Å; Y125-W133 HydrophobicContact CE2-CZ3 4.06Å; Y125-W133 AromaticContact CG-CH2 3.68Å; Y125-W133 HydrophobicContact CG-CH2 3.68Å; Y125-W133 AromaticContact CG-CZ3 3.88Å; Y125-W133 HydrophobicContact CG-CZ3 3.88Å; Y125-V222 VanDerWaalsContact CE2-O 3.25Å; Y125-V222 WeakPolarHBondContact CE2-O 3.35Å; Y125-V222 PolarHBondContact OH-O 3.28Å; Y125-R225 HydrophobicContact CE1-CG 4.13Å; Y125-R225 WeakPolarHBondContact OH-CB 3.49Å
126	T	97.6	Very high	96.8	Very high	39 Å²	39	32.5 Å²	32.5	24%	0.239	19%	0.186	C	C	.	.			trans	-103.8	167.9	-177.3	72.8	0	0	0	0	112.2	Y124 A128 H129 A130	Y124-T126 HydrophobicContact CE1-CG2 3.85Å; T126-A128 PolarHBondContact O-N 3.47Å; T126-A128 VanDerWaalsContact O-N 3.14Å; T126-A128 WeakPolarHBondContact OG1-CB 3.27Å; T126-A128 PolarHBondContact OG1-N 3.13Å; T126-H129 PolarHBondContact N-ND1 3.15Å; T126-H129 WeakPolarHBondContact O-CB 3.22Å; T126-H129 PolarHBondContact O-N 2.89Å; T126-H129 PolarHBondContact OG1-N 3.25Å; T126-H129 PolarHBondContact OG1-ND1 3.39Å; T126-A130 PolarHBondContact O-N 3.13Å; T126-A130 VanDerWaalsContact O-N 3.13Å
127	A	97.8	Very high	96.8	Very high	30 Å²	30	32.5 Å²	32.5	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-56.9	-26.3	169.5	0	0	0	0	0	112.7	M131 F291 T344	A127-M131 WeakPolarHBondContact O-CB 3.49Å; A127-M131 VanDerWaalsContact O-CG 3.23Å; A127-M131 WeakPolarHBondContact O-CG 3.47Å; A127-M131 PolarHBondContact O-N 3.24Å; A127-F291 HydrophobicContact CB-CD1 4.1Å; A127-F291 HydrophobicContact CB-CE1 3.96Å; A127-T344 HydrophobicContact CB-CG2 4.48Å
128	A	98.4	Very high	97	Very high	5 Å²	5	31 Å²	31	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-72	-36.8	175.2	0	0	0	0	0	112.9	T126 S132 F291 P292 G293 A294	T126-A128 PolarHBondContact O-N 3.47Å; T126-A128 VanDerWaalsContact O-N 3.14Å; T126-A128 WeakPolarHBondContact OG1-CB 3.27Å; T126-A128 PolarHBondContact OG1-N 3.13Å; A128-S132 WeakPolarHBondContact O-CB 3.35Å; A128-S132 PolarHBondContact O-N 3.12Å; A128-F291 HydrophobicContact CB-CB 3.99Å; A128-F291 WeakPolarHBondContact CB-O 3.39Å; A128-P292 WeakPolarHBondContact CB-O 3.49Å; A128-G293 WeakPolarHBondContact CB-O 3.3Å; A128-A294 HydrophobicContact CB-CB 4.03Å; A128-A294 WeakPolarHBondContact O-CB 3.32Å
129	H	98.6	Very high	97.2	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-51.7	170.1	-67.4	66.9	0	0	0	110.6	Y125 T126 M131 S132 W133 E296 L298	Y125-H129 HydrophobicContact CD2-CB 4.35Å; T126-H129 PolarHBondContact N-ND1 3.15Å; T126-H129 WeakPolarHBondContact O-CB 3.22Å; T126-H129 PolarHBondContact O-N 2.89Å; T126-H129 PolarHBondContact OG1-N 3.25Å; T126-H129 PolarHBondContact OG1-ND1 3.39Å; H129-M131 PolarHBondContact O-N 3.33Å; H129-S132 WeakPolarHBondContact O-CB 3.23Å; H129-S132 PolarHBondContact O-N 3.36Å; H129-S132 VanDerWaalsContact O-N 3.12Å; H129-W133 HydrophobicContact CB-CD2 4.36Å; H129-W133 HydrophobicContact CB-CE3 4.47Å; H129-W133 HydrophobicContact CB-CH2 4Å; H129-W133 HydrophobicContact CB-CZ2 3.85Å; H129-W133 HydrophobicContact CB-CZ3 4.3Å; H129-W133 WeakPolarHBondContact O-CB 3.3Å; H129-W133 PolarHBondContact O-N 3.43Å; H129-E296 PolarHBondContact NE2-O 3.21Å; H129-L298 VanDerWaalsContact CD2-CD2 3.44Å; H129-L298 WeakPolarHBondContact CD2-CD2 3.45Å
130	A	98.6	Very high	97.6	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-55.5	-47.7	179.9	0	0	0	0	0	112.7	Y125 T126 C134 V222	Y125-A130 HydrophobicContact CE2-CB 4.18Å; T126-A130 PolarHBondContact O-N 3.13Å; T126-A130 VanDerWaalsContact O-N 3.13Å; A130-C134 PolarHBondContact O-N 2.92Å; A130-C134 VanDerWaalsContact O-N 3.15Å; A130-C134 PolarHBondContact O-SG 2.66Å; A130-V222 HydrophobicContact CB-CB 4.01Å; A130-V222 HydrophobicContact CB-CG2 3.82Å
131	M	98.7	Very high	97.9	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-69.1	-35.2	177.9	-65.9	-64.5	-71.1	0	0	112.5	A127 H129 L135 L219 I259 M284 L287 M288 F291	A127-M131 WeakPolarHBondContact O-CB 3.49Å; A127-M131 VanDerWaalsContact O-CG 3.23Å; A127-M131 WeakPolarHBondContact O-CG 3.47Å; A127-M131 PolarHBondContact O-N 3.24Å; H129-M131 PolarHBondContact O-N 3.33Å; M131-L135 WeakPolarHBondContact O-CB 3.36Å; M131-L135 PolarHBondContact O-N 2.96Å; M131-L219 HydrophobicContact SD-CD1 4.17Å; M131-I259 HydrophobicContact CE-CD1 3.8Å; M131-I259 HydrophobicContact CE-CG1 4.07Å; M131-I259 HydrophobicContact SD-CD1 4.01Å; M131-M284 HydrophobicContact CB-CE 4.3Å; M131-M284 HydrophobicContact CE-CE 3.54Å; M131-M284 HydrophobicContact CE-SD 3.61Å; M131-M284 WeakPolarHBondContact O-CE 3.47Å; M131-M284 HydrophobicContact SD-CE 3.99Å; M131-L287 HydrophobicContact CE-CB 4.12Å; M131-L287 HydrophobicContact CE-CD1 3.88Å; M131-M288 HydrophobicContact CB-SD 3.59Å; M131-M288 VanDerWaalsContact CB-SD 3.59Å; M131-F291 HydrophobicContact CB-CD2 4.28Å; M131-F291 HydrophobicContact CB-CG 4.36Å; M131-F291 HydrophobicContact CE-CD2 4.35Å; M131-F291 HydrophobicContact CE-CE2 3.93Å; M131-F291 HydrophobicContact CG-CD1 4.24Å; M131-F291 HydrophobicContact CG-CD2 3.91Å; M131-F291 HydrophobicContact CG-CE1 4.22Å; M131-F291 HydrophobicContact CG-CE2 3.91Å; M131-F291 HydrophobicContact CG-CG 4.1Å; M131-F291 HydrophobicContact CG-CZ 4.07Å; M131-F291 HydrophobicContact SD-CE2 4.48Å
132	S	98.8	Very high	98.1	Very high	15 Å²	15	19.6 Å²	19.6	11%	0.105	10%	0.103	C	C	.	.	H	α-helix	trans	-66.8	-46.5	175.9	-179.6	0	0	0	0	112.4	A128 H129 C134 L135 Q136	A128-S132 WeakPolarHBondContact O-CB 3.35Å; A128-S132 PolarHBondContact O-N 3.12Å; H129-S132 WeakPolarHBondContact O-CB 3.23Å; H129-S132 PolarHBondContact O-N 3.36Å; H129-S132 VanDerWaalsContact O-N 3.12Å; S132-C134 VanDerWaalsContact C-N 3.33Å; S132-C134 PolarHBondContact O-N 2.55Å; S132-L135 PolarHBondContact O-N 3.05Å; S132-Q136 WeakPolarHBondContact O-CB 3.24Å; S132-Q136 VanDerWaalsContact O-CG 3.3Å; S132-Q136 WeakPolarHBondContact O-CG 3.44Å; S132-Q136 PolarHBondContact O-N 3.35Å; S132-Q136 PolarHBondContact OG-NE2 3.29Å
133	W	98.9	Very high	98.2	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-57.4	-45.6	174.4	-64.8	-27.1	0	0	0	111.4	L112 V115 Y125 H129 Q136 C137 L164 G168 L171 V222 L298	L112-W133 HydrophobicContact CD1-CD2 3.92Å; L112-W133 HydrophobicContact CD1-CE3 3.58Å; L112-W133 HydrophobicContact CD1-CH2 4.31Å; L112-W133 HydrophobicContact CD1-CZ3 3.8Å; V115-W133 HydrophobicContact CG1-CH2 3.99Å; V115-W133 HydrophobicContact CG1-CZ2 4.45Å; Y125-W133 HydrophobicContact CD1-CH2 4.1Å; Y125-W133 HydrophobicContact CD1-CZ3 4.27Å; Y125-W133 AromaticContact CD2-CH2 4Å; Y125-W133 HydrophobicContact CD2-CH2 4Å; Y125-W133 AromaticContact CD2-CZ3 3.75Å; Y125-W133 HydrophobicContact CD2-CZ3 3.75Å; Y125-W133 HydrophobicContact CE2-CZ3 4.06Å; Y125-W133 AromaticContact CG-CH2 3.68Å; Y125-W133 HydrophobicContact CG-CH2 3.68Å; Y125-W133 AromaticContact CG-CZ3 3.88Å; Y125-W133 HydrophobicContact CG-CZ3 3.88Å; H129-W133 HydrophobicContact CB-CD2 4.36Å; H129-W133 HydrophobicContact CB-CE3 4.47Å; H129-W133 HydrophobicContact CB-CH2 4Å; H129-W133 HydrophobicContact CB-CZ2 3.85Å; H129-W133 HydrophobicContact CB-CZ3 4.3Å; H129-W133 WeakPolarHBondContact O-CB 3.3Å; H129-W133 PolarHBondContact O-N 3.43Å; W133-Q136 PolarHBondContact O-N 3.38Å; W133-C137 VanDerWaalsContact O-CB 3.28Å; W133-C137 WeakPolarHBondContact O-CB 3.29Å; W133-C137 PolarHBondContact O-N 3.32Å; W133-L164 HydrophobicContact CG-CD2 4.41Å; W133-L164 HydrophobicContact CZ2-CD1 4.19Å; W133-G168 PolarHBondContact NE1-O 3.46Å; W133-L171 HydrophobicContact CB-CD1 3.67Å; W133-L171 HydrophobicContact CG-CD1 4.13Å; W133-V222 HydrophobicContact CE3-CB 4.5Å; W133-V222 HydrophobicContact CE3-CG1 4.19Å; W133-L298 HydrophobicContact CH2-CD2 4.19Å; W133-L298 HydrophobicContact CZ2-CD1 4.08Å; W133-L298 HydrophobicContact CZ2-CD2 3.99Å; W133-L298 HydrophobicContact CZ2-CG 4.39Å
134	C	98.9	Very high	98.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-40.3	176	-72.8	0	0	0	0	112.9	A130 S132 S138 W215 L219 V222 M284	A130-C134 PolarHBondContact O-N 2.92Å; A130-C134 VanDerWaalsContact O-N 3.15Å; A130-C134 PolarHBondContact O-SG 2.66Å; S132-C134 VanDerWaalsContact C-N 3.33Å; S132-C134 PolarHBondContact O-N 2.55Å; C134-S138 PolarHBondContact O-N 2.96Å; C134-S138 PolarHBondContact O-OG 3.03Å; C134-W215 HydrophobicContact CB-CZ2 3.77Å; C134-W215 PolarHBondContact O-NE1 2.91Å; C134-L219 HydrophobicContact CB-CD1 4.07Å; C134-V222 WeakPolarHBondContact SG-CG2 3.42Å; C134-M284 HydrophobicContact CB-CE 3.66Å
135	L	98.9	Very high	98.2	Very high	18 Å²	18	15.1 Å²	15.1	9%	0.094	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-52.6	173.2	172.3	57.3	0	0	0	110.9	M131 S132 C137 S138 Q139 V281 M284 T285 M288	M131-L135 WeakPolarHBondContact O-CB 3.36Å; M131-L135 PolarHBondContact O-N 2.96Å; S132-L135 PolarHBondContact O-N 3.05Å; L135-C137 VanDerWaalsContact C-N 3.33Å; L135-C137 PolarHBondContact O-N 2.97Å; L135-S138 CarbonylContact O-C 3.56Å; L135-S138 WeakPolarHBondContact O-CA 3.37Å; L135-S138 PolarHBondContact O-N 3.28Å; L135-S138 PolarHBondContact O-OG 2.81Å; L135-Q139 HydrophobicContact CD1-CG 3.99Å; L135-Q139 HydrophobicContact CG-CG 4.45Å; L135-Q139 WeakPolarHBondContact O-CG 3.44Å; L135-Q139 PolarHBondContact O-N 3.21Å; L135-V281 HydrophobicContact CD1-CG1 4.42Å; L135-M284 HydrophobicContact CB-CB 4.1Å; L135-M284 HydrophobicContact CB-CE 4.46Å; L135-M284 HydrophobicContact CD1-CB 3.75Å; L135-M284 HydrophobicContact CG-CB 4.42Å; L135-T285 WeakPolarHBondContact CD1-OG1 3.4Å; L135-M288 HydrophobicContact CD2-CG 3.65Å
136	Q	98.9	Very high	98.1	Very high	19 Å²	19	18.4 Å²	18.4	9%	0.089	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-41.2	-179.9	-74.8	-177	73.5	0	0	112.5	N88 S132 W133 Q139 G140 T169 V170 L171	N88-Q136 HydrophobicContact CB-CB 4.5Å; N88-Q136 VanDerWaalsContact CB-O 3.29Å; N88-Q136 WeakPolarHBondContact CB-O 3.29Å; N88-Q136 WeakPolarHBondContact ND2-CB 3.46Å; N88-Q136 WeakPolarHBondContact ND2-CG 3.44Å; N88-Q136 PolarHBondContact ND2-OE1 3.34Å; S132-Q136 WeakPolarHBondContact O-CB 3.24Å; S132-Q136 VanDerWaalsContact O-CG 3.3Å; S132-Q136 WeakPolarHBondContact O-CG 3.44Å; S132-Q136 PolarHBondContact O-N 3.35Å; S132-Q136 PolarHBondContact OG-NE2 3.29Å; W133-Q136 PolarHBondContact O-N 3.38Å; Q136-Q139 PolarHBondContact O-N 3.43Å; Q136-G140 PolarHBondContact O-N 2.86Å; Q136-T169 PolarHBondContact NE2-O 3.34Å; Q136-V170 VanDerWaalsContact OE1-CA 3.28Å; Q136-L171 HydrophobicContact CB-CB 4.07Å
137	C	98.9	Very high	97.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.6	-46.9	171.4	-173.6	0	0	0	0	111.1	W133 L135 Q139 G140 V141 L162 L171	W133-C137 VanDerWaalsContact O-CB 3.28Å; W133-C137 WeakPolarHBondContact O-CB 3.29Å; W133-C137 PolarHBondContact O-N 3.32Å; L135-C137 VanDerWaalsContact C-N 3.33Å; L135-C137 PolarHBondContact O-N 2.97Å; C137-Q139 VanDerWaalsContact C-N 3.3Å; C137-Q139 PolarHBondContact O-N 2.82Å; C137-G140 PolarHBondContact O-N 3.23Å; C137-V141 WeakPolarHBondContact O-CG2 3.48Å; C137-V141 PolarHBondContact O-N 2.66Å; C137-L162 HydrophobicContact CB-CD1 4.46Å; C137-L171 HydrophobicContact CB-CD2 3.9Å
138	S	98.8	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-31.8	178.4	68.2	0	0	0	0	113.2	C134 L135 A142 V281	C134-S138 PolarHBondContact O-N 2.96Å; C134-S138 PolarHBondContact O-OG 3.03Å; L135-S138 CarbonylContact O-C 3.56Å; L135-S138 WeakPolarHBondContact O-CA 3.37Å; L135-S138 PolarHBondContact O-N 3.28Å; L135-S138 PolarHBondContact O-OG 2.81Å; S138-A142 WeakPolarHBondContact O-CB 3.24Å; S138-A142 PolarHBondContact O-N 2.88Å; S138-V281 VanDerWaalsContact C-CG2 3.4Å; S138-V281 WeakPolarHBondContact O-CG2 3.41Å; S138-V281 WeakPolarHBondContact OG-CG2 3.34Å
139	Q	98.8	Very high	96.9	Very high	60 Å²	60	27.3 Å²	27.3	28%	0.28	15%	0.148	S	C	.	.	H	α-helix	trans	-67.1	-46.2	174.7	-71.8	169.5	-45.2	0	0	111	L135 Q136 C137 A142 Y143 V281	L135-Q139 HydrophobicContact CD1-CG 3.99Å; L135-Q139 HydrophobicContact CG-CG 4.45Å; L135-Q139 WeakPolarHBondContact O-CG 3.44Å; L135-Q139 PolarHBondContact O-N 3.21Å; Q136-Q139 PolarHBondContact O-N 3.43Å; C137-Q139 VanDerWaalsContact C-N 3.3Å; C137-Q139 PolarHBondContact O-N 2.82Å; Q139-A142 PolarHBondContact O-N 3.31Å; Q139-Y143 PolarHBondContact O-N 3.42Å; Q139-V281 HydrophobicContact CB-CG2 4.45Å; Q139-V281 HydrophobicContact CG-CG1 3.93Å; Q139-V281 HydrophobicContact CG-CG2 3.91Å
140	G	98.4	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-46.4	173.9	0	0	0	0	0	112.8	Q136 C137 Y143 L144	Q136-G140 PolarHBondContact O-N 2.86Å; C137-G140 PolarHBondContact O-N 3.23Å; G140-Y143 WeakPolarHBondContact O-CB 3.41Å; G140-Y143 PolarHBondContact O-N 2.84Å; G140-L144 WeakPolarHBondContact O-CG 3.45Å; G140-L144 PolarHBondContact O-N 3.42Å; G140-L144 VanDerWaalsContact O-N 3.17Å
141	V	98.1	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.6	-38.4	178.5	-175.7	0	0	0	0	111.9	C137 Y143 L144 H145 L157 I173 D211 M277	C137-V141 WeakPolarHBondContact O-CG2 3.48Å; C137-V141 PolarHBondContact O-N 2.66Å; V141-Y143 VanDerWaalsContact C-N 3.3Å; V141-Y143 PolarHBondContact O-N 3.4Å; V141-L144 WeakPolarHBondContact O-CB 3.4Å; V141-L144 PolarHBondContact O-N 2.89Å; V141-L144 VanDerWaalsContact O-N 3.17Å; V141-H145 VanDerWaalsContact CG1-CE1 3.44Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.47Å; V141-H145 VanDerWaalsContact CG1-NE2 3.26Å; V141-H145 WeakPolarHBondContact CG1-NE2 3.25Å; V141-H145 WeakPolarHBondContact O-CB 3.4Å; V141-H145 PolarHBondContact O-CD2 2.82Å; V141-H145 VanDerWaalsContact O-CG 3.31Å; V141-H145 PolarHBondContact O-N 3.26Å; V141-L157 HydrophobicContact CG2-CD1 3.83Å; V141-L157 HydrophobicContact CG2-CD2 3.96Å; V141-I173 HydrophobicContact CG2-CD1 3.68Å; V141-D211 HydrophobicContact CG1-CB 3.85Å; V141-M277 HydrophobicContact CB-CE 4.39Å; V141-M277 HydrophobicContact CB-CG 4.11Å; V141-M277 HydrophobicContact CB-SD 3.97Å; V141-M277 HydrophobicContact CG1-CE 4.19Å; V141-M277 HydrophobicContact CG1-CG 3.72Å; V141-M277 HydrophobicContact CG1-SD 4.1Å
142	A	98.3	Very high	95.5	Very high	21 Å²	21	35.6 Å²	35.6	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-59.2	-41.2	173.9	0	0	0	0	0	112	S138 Q139 H145 S146 M277 V281	S138-A142 WeakPolarHBondContact O-CB 3.24Å; S138-A142 PolarHBondContact O-N 2.88Å; Q139-A142 PolarHBondContact O-N 3.31Å; A142-H145 PolarHBondContact O-N 3.23Å; A142-S146 WeakPolarHBondContact O-CB 3.4Å; A142-S146 PolarHBondContact O-N 2.88Å; A142-S146 PolarHBondContact O-OG 3.06Å; A142-M277 HydrophobicContact CB-CB 3.9Å; A142-V281 HydrophobicContact CB-CG2 3.95Å
143	Y	97.8	Very high	95.1	Very high	61 Å²	61	36.4 Å²	36.4	24%	0.239	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-50.6	172.8	170.3	-92.2	0	0	0	111.3	V84 N85 H86 I89 Q139 G140 V141 H145 S146 M147	V84-Y143 HydrophobicContact CB-CE1 3.95Å; V84-Y143 HydrophobicContact CG1-CE1 4.06Å; N85-Y143 PolarHBondContact N-OH 3.43Å; H86-Y143 HydrophobicContact CB-CD1 3.82Å; H86-Y143 HydrophobicContact CB-CD2 4.21Å; H86-Y143 HydrophobicContact CB-CE1 4.07Å; H86-Y143 HydrophobicContact CB-CE2 4.44Å; H86-Y143 HydrophobicContact CB-CG 3.9Å; H86-Y143 AromaticContact CD2-CD2 3.87Å; H86-Y143 AromaticContact CD2-CG 3.77Å; H86-Y143 AromaticContact CG-CG 3.92Å; I89-Y143 HydrophobicContact CD1-CD1 3.62Å; I89-Y143 HydrophobicContact CD1-CE1 4.04Å; Q139-Y143 PolarHBondContact O-N 3.42Å; G140-Y143 WeakPolarHBondContact O-CB 3.41Å; G140-Y143 PolarHBondContact O-N 2.84Å; V141-Y143 VanDerWaalsContact C-N 3.3Å; V141-Y143 PolarHBondContact O-N 3.4Å; Y143-H145 PolarHBondContact O-N 3.39Å; Y143-S146 PolarHBondContact O-N 3.49Å; Y143-S146 VanDerWaalsContact O-N 3.1Å; Y143-S146 PolarHBondContact O-OG 3.19Å; Y143-M147 HydrophobicContact CE1-SD 4.43Å; Y143-M147 WeakPolarHBondContact O-CG 3.22Å; Y143-M147 PolarHBondContact O-N 3.35Å
144	L	95.5	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-45.5	176.6	-63.9	173.5	0	0	0	112.6	V84 I89 G140 V141 S146 M147 L152 F176	V84-L144 HydrophobicContact CG1-CD2 3.69Å; I89-L144 HydrophobicContact CD1-CD1 4.42Å; I89-L144 HydrophobicContact CD1-CD2 3.68Å; I89-L144 HydrophobicContact CD1-CG 3.9Å; G140-L144 WeakPolarHBondContact O-CG 3.45Å; G140-L144 PolarHBondContact O-N 3.42Å; G140-L144 VanDerWaalsContact O-N 3.17Å; V141-L144 WeakPolarHBondContact O-CB 3.4Å; V141-L144 PolarHBondContact O-N 2.89Å; V141-L144 VanDerWaalsContact O-N 3.17Å; L144-S146 PolarHBondContact O-N 3.36Å; L144-M147 HydrophobicContact CD2-SD 4.02Å; L144-M147 WeakPolarHBondContact O-CB 3.43Å; L144-M147 WeakPolarHBondContact O-CG 3.33Å; L144-M147 PolarHBondContact O-N 2.9Å; L144-L152 CarbonylContact C-O 3.58Å; L144-L152 HydrophobicContact CB-CB 4.22Å; L144-L152 WeakPolarHBondContact CB-O 3.42Å; L144-L152 HydrophobicContact CD1-CD2 4.38Å; L144-L152 HydrophobicContact CD2-CB 4.3Å; L144-L152 HydrophobicContact CD2-CD1 4.19Å; L144-L152 HydrophobicContact CD2-CD2 4.13Å; L144-L152 HydrophobicContact CD2-CG 4.43Å; L144-L152 PolarHBondContact O-N 3.11Å; L144-F176 HydrophobicContact CD1-CE1 3.68Å; L144-F176 HydrophobicContact CD1-CZ 4.24Å; L144-F176 HydrophobicContact CD2-CE1 3.76Å; L144-F176 HydrophobicContact CD2-CZ 4.29Å; L144-F176 HydrophobicContact CG-CE1 4.36Å
145	H	95.6	Very high	94.3	Very high	30 Å²	30	38.5 Å²	38.5	14%	0.139	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-24.4	178.8	-69.2	-173	0	0	0	112.9	V141 A142 Y143 A151 L152 E208 D211	V141-H145 VanDerWaalsContact CG1-CE1 3.44Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.47Å; V141-H145 VanDerWaalsContact CG1-NE2 3.26Å; V141-H145 WeakPolarHBondContact CG1-NE2 3.25Å; V141-H145 WeakPolarHBondContact O-CB 3.4Å; V141-H145 PolarHBondContact O-CD2 2.82Å; V141-H145 VanDerWaalsContact O-CG 3.31Å; V141-H145 PolarHBondContact O-N 3.26Å; A142-H145 PolarHBondContact O-N 3.23Å; Y143-H145 PolarHBondContact O-N 3.39Å; H145-A151 WeakPolarHBondContact O-CB 3.16Å; H145-L152 PolarHBondContact CD2-O 3.44Å; H145-E208 PolarHBondContact CE1-O 2.88Å; H145-D211 IonicContact CD2-OD2 3.96Å; H145-D211 IonicContact CE1-OD2 2.68Å; H145-D211 IonicContact NE2-OD2 3.78Å; H145-D211 PolarHBondContact NE2-OD2 3.2Å
146	S	95.7	Very high	93.9	Very high	72 Å²	72	38 Å²	38	50%	0.503	20%	0.201	S	C	.	.	H	α-helix	trans	-87.6	-8.8	177.4	70.6	0	0	0	0	115.1	A142 Y143 L144 Q148	A142-S146 WeakPolarHBondContact O-CB 3.4Å; A142-S146 PolarHBondContact O-N 2.88Å; A142-S146 PolarHBondContact O-OG 3.06Å; Y143-S146 PolarHBondContact O-N 3.49Å; Y143-S146 VanDerWaalsContact O-N 3.1Å; Y143-S146 PolarHBondContact O-OG 3.19Å; L144-S146 PolarHBondContact O-N 3.36Å; S146-Q148 PolarHBondContact O-NE2 2.72Å
147	M	92.2	Very high	93.7	Very high	17 Å²	17	37.2 Å²	37.2	8%	0.084	20%	0.197	C	C	.	.			trans	-58.8	145.7	-174.6	-68.7	-174.6	82.4	0	0	113.1	R83 V84 Y143 L144 K150 A151 L152	R83-M147 HydrophobicContact CB-CE 3.87Å; R83-M147 WeakPolarHBondContact O-CE 3.41Å; V84-M147 HydrophobicContact CG1-CE 3.86Å; V84-M147 HydrophobicContact CG1-SD 3.84Å; Y143-M147 HydrophobicContact CE1-SD 4.43Å; Y143-M147 WeakPolarHBondContact O-CG 3.22Å; Y143-M147 PolarHBondContact O-N 3.35Å; L144-M147 HydrophobicContact CD2-SD 4.02Å; L144-M147 WeakPolarHBondContact O-CB 3.43Å; L144-M147 WeakPolarHBondContact O-CG 3.33Å; L144-M147 PolarHBondContact O-N 2.9Å; M147-K150 CarbonylContact O-C 3.38Å; M147-A151 WeakPolarHBondContact O-CA 3.44Å; M147-A151 PolarHBondContact O-N 3.31Å; M147-L152 HydrophobicContact SD-CB 3.8Å; M147-L152 HydrophobicContact SD-CD1 4.03Å
148	Q	88.5	Confident	93.5	Very high	148 Å²	148	38.5 Å²	38.5	69%	0.692	20%	0.202	S	C	*	.	S	Bend	trans	-115.8	154.8	179.8	-64.3	-58.6	-40	0	0	111.4	R83 S146	R83-Q148 PolarHBondContact NH2-O 2.79Å; S146-Q148 PolarHBondContact O-NE2 2.72Å
149	P	87.9	Confident	93.4	Very high	97 Å²	97	38.5 Å²	38.5	63%	0.63	20%	0.202	S	C	*	.	S	Bend	cis	-74.3	-2.1	-5.5	34	-37.6	0	0	0	113.7
150	K	86	Confident	93.1	Very high	133 Å²	133	37.9 Å²	37.9	58%	0.578	20%	0.203	S	C	*	.	S	Bend	trans	-140.9	130.6	-177.4	-174.2	172.5	-175.6	170.5	0	110.1	M147	M147-K150 CarbonylContact O-C 3.38Å
151	A	89.8	Confident	92.9	Very high	46 Å²	46	38.4 Å²	38.4	38%	0.38	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-58.1	141.8	175.3	0	0	0	0	0	111.2	H145 M147	H145-A151 WeakPolarHBondContact O-CB 3.16Å; M147-A151 WeakPolarHBondContact O-CA 3.44Å; M147-A151 PolarHBondContact O-N 3.31Å
152	L	90.3	Very high	92.9	Very high	8 Å²	8	38.4 Å²	38.4	4%	0.042	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-96.7	125	173.6	-163	161.4	0	0	0	108.6	Q80 L144 H145 M147 F176 A179	Q80-L152 HydrophobicContact CB-CD1 3.83Å; Q80-L152 HydrophobicContact CG-CD1 3.85Å; L144-L152 CarbonylContact C-O 3.58Å; L144-L152 HydrophobicContact CB-CB 4.22Å; L144-L152 WeakPolarHBondContact CB-O 3.42Å; L144-L152 HydrophobicContact CD1-CD2 4.38Å; L144-L152 HydrophobicContact CD2-CB 4.3Å; L144-L152 HydrophobicContact CD2-CD1 4.19Å; L144-L152 HydrophobicContact CD2-CD2 4.13Å; L144-L152 HydrophobicContact CD2-CG 4.43Å; L144-L152 PolarHBondContact O-N 3.11Å; H145-L152 PolarHBondContact CD2-O 3.44Å; M147-L152 HydrophobicContact SD-CB 3.8Å; M147-L152 HydrophobicContact SD-CD1 4.03Å; L152-F176 HydrophobicContact CD1-CD1 4.47Å; L152-F176 HydrophobicContact CD2-CD1 3.94Å; L152-F176 HydrophobicContact CD2-CE1 4.17Å; L152-A179 HydrophobicContact CD2-CB 4.01Å
153	I	91.2	Very high	92.8	Very high	32 Å²	32	39.1 Å²	39.1	16%	0.164	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-103.5	131	176.4	-54.4	170.9	0	0	0	107.7	R155 E208 C210 D211	I153-R155 HydrophobicContact CB-CG 4.27Å; I153-R155 HydrophobicContact CG2-CG 3.77Å; I153-E208 HydrophobicContact CG1-CB 4.17Å; I153-C210 VanDerWaalsContact CG2-SG 3.51Å; I153-D211 WeakPolarHBondContact CG2-OD2 3.48Å
154	H	91.3	Very high	92.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.			trans	-75.6	-38.4	-174.7	-161.7	-77.7	0	0	0	112.6	D156 L157 I173 C174 F176 T178 D211	H154-D156 PolarHBondContact ND1-O 3.49Å; H154-D156 PolarHBondContact O-N 2.98Å; H154-L157 HydrophobicContact CB-CD1 4.49Å; H154-L157 PolarHBondContact ND1-N 2.87Å; H154-I173 VanDerWaalsContact CD2-CG2 3.42Å; H154-I173 WeakPolarHBondContact CD2-CG2 3.19Å; H154-I173 WeakPolarHBondContact NE2-CG2 3.23Å; H154-C174 PolarHBondContact CE1-O 2.79Å; H154-C174 PolarHBondContact NE2-O 3.23Å; H154-F176 AromaticContact CD2-CE1 3.85Å; H154-T178 PolarHBondContact O-OG1 2.71Å; H154-D211 WeakPolarHBondContact CB-OD1 3.43Å; H154-D211 PolarHBondContact N-OD1 3.2Å; H154-D211 PolarHBondContact N-OD2 3.03Å
155	R	89.3	Confident	92.9	Very high	47 Å²	47	37 Å²	37	18%	0.177	20%	0.2	C	C	.	.	S	Bend	trans	65.5	-32.5	177	-52.4	171.9	-180	-170.5	-9.9	116.1	I153 T178 A179 D181 Y206 D211	I153-R155 HydrophobicContact CB-CG 4.27Å; I153-R155 HydrophobicContact CG2-CG 3.77Å; R155-T178 WeakPolarHBondContact CD-O 3.37Å; R155-T178 PolarHBondContact NH1-O 3Å; R155-A179 VanDerWaalsContact CZ-O 3.3Å; R155-D181 PolarHBondContact NH1-O 3.41Å; R155-Y206 HydrophobicContact CG-CE2 4.16Å; R155-Y206 PolarHBondContact NE-OH 3.24Å; R155-Y206 PolarHBondContact NH1-OH 2.89Å; R155-Y206 PolarHBondContact NH2-OH 2.84Å; R155-D211 PolarHBondContact N-OD1 2.75Å
156	D	89.8	Confident	93	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.043	22%	0.215	C	C	.	.			trans	-121.6	48.9	-179.1	-168.2	44.5	0	0	0	111.2	H154 K158 N161 T178 S192	H154-D156 PolarHBondContact ND1-O 3.49Å; H154-D156 PolarHBondContact O-N 2.98Å; D156-K158 PolarHBondContact O-N 2.93Å; D156-K158 IonicContact OD1-NZ 2.81Å; D156-K158 PolarHBondContact OD1-NZ 3.45Å; D156-K158 WeakPolarHBondContact OD2-CE 3.49Å; D156-K158 IonicContact OD2-NZ 2.72Å; D156-K158 PolarHBondContact OD2-NZ 2.85Å; D156-N161 PolarHBondContact O-ND2 3.48Å; D156-N161 PolarHBondContact OD2-ND2 2.83Å; D156-T178 HydrophobicContact CB-CG2 3.76Å; D156-S192 WeakPolarHBondContact OD1-CB 3.44Å; D156-S192 PolarHBondContact OD1-OG 2.74Å
157	L	94.8	Very high	93	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.209	C	C	.	.			trans	-79.7	113.8	179.1	-167.3	79.1	0	0	0	109.8	V141 H154 L162 I173 S214 W215 I218	V141-L157 HydrophobicContact CG2-CD1 3.83Å; V141-L157 HydrophobicContact CG2-CD2 3.96Å; H154-L157 HydrophobicContact CB-CD1 4.49Å; H154-L157 PolarHBondContact ND1-N 2.87Å; L157-L162 HydrophobicContact CD1-CD2 4.05Å; L157-I173 HydrophobicContact CD1-CG2 4.35Å; L157-S214 WeakPolarHBondContact O-CB 3.36Å; L157-W215 HydrophobicContact CD2-CB 4.2Å; L157-I218 HydrophobicContact CD2-CD1 4.12Å; L157-I218 HydrophobicContact CG-CD1 3.96Å
158	K	95	Very high	93.3	Very high	28 Å²	28	35.7 Å²	35.7	12%	0.122	21%	0.205	C	C	.	.			trans	-158.7	155.6	-174.8	59.3	-174.1	-168.7	-139.4	0	110.6	D156 P160 N161 L162 S192 W195	D156-K158 PolarHBondContact O-N 2.93Å; D156-K158 IonicContact OD1-NZ 2.81Å; D156-K158 PolarHBondContact OD1-NZ 3.45Å; D156-K158 WeakPolarHBondContact OD2-CE 3.49Å; D156-K158 IonicContact OD2-NZ 2.72Å; D156-K158 PolarHBondContact OD2-NZ 2.85Å; K158-P160 VanDerWaalsContact C-CD 3.44Å; K158-P160 VanDerWaalsContact C-N 3.3Å; K158-P160 HydrophobicContact CD-CG 4.47Å; K158-P160 HydrophobicContact CG-CB 4.41Å; K158-P160 HydrophobicContact CG-CG 4.35Å; K158-P160 VanDerWaalsContact O-N 3.15Å; K158-N161 WeakPolarHBondContact CE-ND2 3.23Å; K158-N161 VanDerWaalsContact CE-OD1 3.23Å; K158-N161 WeakPolarHBondContact CE-OD1 3.47Å; K158-N161 HydrophobicContact CG-CB 4.16Å; K158-N161 WeakPolarHBondContact O-CA 3.42Å; K158-N161 PolarHBondContact O-N 3.39Å; K158-L162 PolarHBondContact O-N 2.94Å; K158-S192 PolarHBondContact NZ-OG 3.47Å; K158-W195 HydrophobicContact CB-CB 4.26Å; K158-W195 HydrophobicContact CB-CD2 3.74Å; K158-W195 HydrophobicContact CB-CE3 3.8Å; K158-W195 HydrophobicContact CB-CG 3.93Å; K158-W195 HydrophobicContact CB-CZ3 4.45Å; K158-W195 HydrophobicContact CD-CE3 4.42Å
159	P	96.4	Very high	93.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-57.8	-26.9	-176.6	-21.2	31.7	0	0	0	116.3	L112 Y113 N161 L162 W195 I218 E221	L112-P159 HydrophobicContact CB-CB 4.2Å; L112-P159 HydrophobicContact CD2-CB 4.28Å; L112-P159 HydrophobicContact CG-CB 4.19Å; L112-P159 PolarHBondContact N-O 3.47Å; Y113-P159 HydrophobicContact CD2-CB 4.38Å; Y113-P159 PolarHBondContact N-O 2.76Å; P159-N161 PolarHBondContact O-N 3.2Å; P159-L162 PolarHBondContact O-N 2.89Å; P159-W195 VanDerWaalsContact CD-CE2 3.43Å; P159-W195 HydrophobicContact CG-CZ2 4.19Å; P159-I218 HydrophobicContact CG-CG1 4.29Å; P159-E221 VanDerWaalsContact CG-OE2 3.23Å; P159-E221 WeakPolarHBondContact CG-OE2 3.27Å
160	P	92.9	Very high	94.3	Very high	46 Å²	46	27.1 Å²	27.1	30%	0.299	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-59.9	-32	168.2	-30.2	36.4	0	0	0	114.3	Y113 K158	Y113-P160 HydrophobicContact CD2-CG 3.99Å; Y113-P160 HydrophobicContact CG-CG 3.94Å; K158-P160 VanDerWaalsContact C-CD 3.44Å; K158-P160 VanDerWaalsContact C-N 3.3Å; K158-P160 HydrophobicContact CD-CG 4.47Å; K158-P160 HydrophobicContact CG-CB 4.41Å; K158-P160 HydrophobicContact CG-CG 4.35Å; K158-P160 VanDerWaalsContact O-N 3.15Å
161	N	94.7	Very high	94.9	Very high	11 Å²	11	20.8 Å²	20.8	6%	0.059	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-96.1	11.5	-177.5	-61.7	7.3	0	0	0	112.2	D156 K158 P159 C174	D156-N161 PolarHBondContact O-ND2 3.48Å; D156-N161 PolarHBondContact OD2-ND2 2.83Å; K158-N161 WeakPolarHBondContact CE-ND2 3.23Å; K158-N161 VanDerWaalsContact CE-OD1 3.23Å; K158-N161 WeakPolarHBondContact CE-OD1 3.47Å; K158-N161 HydrophobicContact CG-CB 4.16Å; K158-N161 WeakPolarHBondContact O-CA 3.42Å; K158-N161 PolarHBondContact O-N 3.39Å; P159-N161 PolarHBondContact O-N 3.2Å; N161-C174 PolarHBondContact O-N 2.93Å; N161-C174 PolarHBondContact O-SG 2.8Å; N161-C174 VanDerWaalsContact O-SG 3.39Å
162	L	97.4	Very high	95.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.1	173.8	-57.6	-176.6	0	0	0	108.1	S111 L112 C137 L157 K158 P159 L171 I173 I218	S111-L162 CarbonylContact C-O 3.6Å; S111-L162 WeakPolarHBondContact CA-O 3.39Å; L112-L162 HydrophobicContact CB-CB 4.16Å; L112-L162 WeakPolarHBondContact CB-O 3.39Å; L112-L162 HydrophobicContact CD2-CB 4.43Å; L112-L162 HydrophobicContact CD2-CD1 4.05Å; L112-L162 PolarHBondContact N-O 2.65Å; C137-L162 HydrophobicContact CB-CD1 4.46Å; L157-L162 HydrophobicContact CD1-CD2 4.05Å; K158-L162 PolarHBondContact O-N 2.94Å; P159-L162 PolarHBondContact O-N 2.89Å; L162-L171 HydrophobicContact CB-CD1 4.17Å; L162-L171 HydrophobicContact CB-CD2 4.38Å; L162-L171 HydrophobicContact CB-CG 4.34Å; L162-L171 HydrophobicContact CD1-CD1 4.25Å; L162-L171 HydrophobicContact CD2-CD2 4.24Å; L162-I173 HydrophobicContact CD2-CB 4.33Å; L162-I173 HydrophobicContact CD2-CG1 3.77Å; L162-I173 HydrophobicContact CD2-CG2 4.43Å; L162-I218 HydrophobicContact CD1-CD1 4.11Å; L162-I218 HydrophobicContact CD1-CG2 4.2Å
163	L	97.6	Very high	95.6	Very high	37 Å²	37	19.1 Å²	19.1	19%	0.194	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	154.8	-179.7	-53.2	-174.9	0	0	0	111.4	V90 A107 G110 L171 K172 C174	V90-L163 HydrophobicContact CG2-CD1 3.92Å; A107-L163 HydrophobicContact CB-CB 3.72Å; A107-L163 HydrophobicContact CB-CD1 3.86Å; A107-L163 HydrophobicContact CB-CG 4.38Å; G110-L163 CarbonylContact O-C 3.46Å; G110-L163 VanDerWaalsContact O-CA 3.29Å; G110-L163 WeakPolarHBondContact O-CA 3.49Å; L163-L171 CarbonylContact O-C 3.45Å; L163-L171 WeakPolarHBondContact O-CA 3.22Å; L163-K172 PolarHBondContact N-O 2.95Å; L163-K172 PolarHBondContact O-N 3Å; L163-C174 HydrophobicContact CD1-CB 4.22Å; L163-C174 HydrophobicContact CG-CB 4.35Å
164	L	98.2	Very high	95.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.3	-179.8	-68	178.9	0	0	0	111.8	G109 G110 L112 V115 W133 V170 L171	G109-L164 VanDerWaalsContact CA-O 3.24Å; G109-L164 WeakPolarHBondContact CA-O 3.46Å; G109-L164 PolarHBondContact N-O 3.26Å; G110-L164 PolarHBondContact O-N 3.27Å; L112-L164 HydrophobicContact CB-CD1 4.49Å; L112-L164 HydrophobicContact CD1-CD1 4.03Å; V115-L164 HydrophobicContact CB-CD1 4.02Å; V115-L164 HydrophobicContact CG1-CD1 4.06Å; V115-L164 HydrophobicContact CG2-CD1 3.83Å; W133-L164 HydrophobicContact CG-CD2 4.41Å; W133-L164 HydrophobicContact CZ2-CD1 4.19Å; L164-V170 CarbonylContact C-O 3.58Å; L164-V170 WeakPolarHBondContact CA-O 3.32Å; L164-L171 HydrophobicContact CD2-CB 3.85Å; L164-L171 HydrophobicContact CD2-CD1 4.09Å; L164-L171 HydrophobicContact CD2-CG 4.13Å
165	V	97.3	Very high	95.2	Very high	16 Å²	16	19.8 Å²	19.8	10%	0.097	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	176.4	178.8	-51.2	0	0	0	0	111.3	A107 E108 G167 G168 T169 V170 K172	A107-V165 HydrophobicContact CB-CG1 3.6Å; E108-V165 WeakPolarHBondContact OE2-CA 3.38Å; E108-V165 WeakPolarHBondContact OE2-CB 3.46Å; V165-G167 VanDerWaalsContact C-N 3.35Å; V165-G167 PolarHBondContact O-N 3.05Å; V165-G168 PolarHBondContact O-N 3.1Å; V165-T169 PolarHBondContact O-N 2.99Å; V165-V170 HydrophobicContact CG2-CB 3.7Å; V165-V170 HydrophobicContact CG2-CG1 3.7Å; V165-V170 PolarHBondContact N-O 3.44Å; V165-V170 PolarHBondContact O-N 2.78Å; V165-K172 HydrophobicContact CG1-CD 4.05Å; V165-K172 HydrophobicContact CG2-CD 4.01Å
166	A	97.3	Very high	94.4	Very high	54 Å²	54	17.6 Å²	17.6	45%	0.446	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	50.4	-174.9	0	0	0	0	0	111.8	E108 G168 T169 V170	E108-A166 WeakPolarHBondContact OE1-CA 3.41Å; E108-A166 PolarHBondContact OE1-N 2.81Å; A166-G168 VanDerWaalsContact C-N 3.25Å; A166-G168 PolarHBondContact O-N 2.82Å; A166-T169 WeakPolarHBondContact CB-OG1 3.45Å; A166-T169 PolarHBondContact O-N 3.31Å; A166-T169 PolarHBondContact O-OG1 2.69Å; A166-V170 HydrophobicContact CB-CB 4.26Å; A166-V170 HydrophobicContact CB-CG2 4Å
167	G	96.4	Very high	92.9	Very high	36 Å²	36	17.5 Å²	17.5	37%	0.371	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	22.4	179.9	0	0	0	0	0	114.2	E108 V165 L298	E108-G167 PolarHBondContact OE1-N 3.34Å; V165-G167 VanDerWaalsContact C-N 3.35Å; V165-G167 PolarHBondContact O-N 3.05Å; G167-L298 PolarHBondContact O-N 3.36Å
168	G	97.4	Very high	91.4	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	0.8	-179.6	0	0	0	0	0	115.4	W133 V165 A166	W133-G168 PolarHBondContact NE1-O 3.46Å; V165-G168 PolarHBondContact O-N 3.1Å; A166-G168 VanDerWaalsContact C-N 3.25Å; A166-G168 PolarHBondContact O-N 2.82Å
169	T	98.4	Very high	89.5	Confident	21 Å²	21	16.6 Å²	16.6	13%	0.129	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-31.6	-177.1	60.5	0	0	0	0	113.1	Q136 V165 A166 E296	Q136-T169 PolarHBondContact NE2-O 3.34Å; V165-T169 PolarHBondContact O-N 2.99Å; A166-T169 WeakPolarHBondContact CB-OG1 3.45Å; A166-T169 PolarHBondContact O-N 3.31Å; A166-T169 PolarHBondContact O-OG1 2.69Å; T169-E296 WeakPolarHBondContact CG2-O 3.47Å
170	V	98.7	Very high	87.4	Confident	45 Å²	45	19.3 Å²	19.3	27%	0.273	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132	-176.3	174.6	0	0	0	0	110.5	Q136 L164 V165 A166	Q136-V170 VanDerWaalsContact OE1-CA 3.28Å; L164-V170 CarbonylContact C-O 3.58Å; L164-V170 WeakPolarHBondContact CA-O 3.32Å; V165-V170 HydrophobicContact CG2-CB 3.7Å; V165-V170 HydrophobicContact CG2-CG1 3.7Å; V165-V170 PolarHBondContact N-O 3.44Å; V165-V170 PolarHBondContact O-N 2.78Å; A166-V170 HydrophobicContact CB-CB 4.26Å; A166-V170 HydrophobicContact CB-CG2 4Å
171	L	98.8	Very high	85.3	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.4	-178.6	-178.3	150.8	0	0	0	111.7	N88 L112 W133 Q136 C137 L162 L163 L164	N88-L171 VanDerWaalsContact CA-O 3.27Å; N88-L171 WeakPolarHBondContact CA-O 3.38Å; N88-L171 VanDerWaalsContact CB-O 3.31Å; N88-L171 WeakPolarHBondContact CB-O 3.41Å; N88-L171 PolarHBondContact ND2-O 3.39Å; L112-L171 HydrophobicContact CD2-CD1 4.09Å; W133-L171 HydrophobicContact CB-CD1 3.67Å; W133-L171 HydrophobicContact CG-CD1 4.13Å; Q136-L171 HydrophobicContact CB-CB 4.07Å; C137-L171 HydrophobicContact CB-CD2 3.9Å; L162-L171 HydrophobicContact CB-CD1 4.17Å; L162-L171 HydrophobicContact CB-CD2 4.38Å; L162-L171 HydrophobicContact CB-CG 4.34Å; L162-L171 HydrophobicContact CD1-CD1 4.25Å; L162-L171 HydrophobicContact CD2-CD2 4.24Å; L163-L171 CarbonylContact O-C 3.45Å; L163-L171 WeakPolarHBondContact O-CA 3.22Å; L164-L171 HydrophobicContact CD2-CB 3.85Å; L164-L171 HydrophobicContact CD2-CD1 4.09Å; L164-L171 HydrophobicContact CD2-CG 4.13Å
172	K	98.4	Very high	83	Confident	19 Å²	19	23.3 Å²	23.3	8%	0.083	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.2	-177.8	-72.1	171.2	171.2	-71.5	0	112.3	P87 N88 I89 V90 E105 L163 V165	P87-K172 PolarHBondContact O-NZ 3.24Å; N88-K172 WeakPolarHBondContact O-CA 3.17Å; I89-K172 PolarHBondContact O-NZ 3.32Å; V90-K172 HydrophobicContact CG2-CB 3.93Å; E105-K172 WeakPolarHBondContact OE1-CD 3.43Å; E105-K172 WeakPolarHBondContact OE1-CE 3.31Å; E105-K172 IonicContact OE1-NZ 2.78Å; E105-K172 PolarHBondContact OE1-NZ 3.47Å; E105-K172 WeakPolarHBondContact OE2-CE 3.5Å; E105-K172 IonicContact OE2-NZ 3.16Å; E105-K172 PolarHBondContact OE2-NZ 3.37Å; E105-K172 VanDerWaalsContact OE2-NZ 3.1Å; L163-K172 PolarHBondContact N-O 2.95Å; L163-K172 PolarHBondContact O-N 3Å; V165-K172 HydrophobicContact CG1-CD 4.05Å; V165-K172 HydrophobicContact CG2-CD 4.01Å
173	I	97.2	Very high	80.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.3	176.8	-56.7	167.9	0	0	0	110.7	N88 I89 V90 V141 H154 L157 L162 F176	N88-I173 WeakPolarHBondContact O-CG1 3.44Å; N88-I173 PolarHBondContact O-N 3.01Å; I89-I173 HydrophobicContact CG1-CB 4.47Å; V90-I173 PolarHBondContact N-O 3.01Å; V141-I173 HydrophobicContact CG2-CD1 3.68Å; H154-I173 VanDerWaalsContact CD2-CG2 3.42Å; H154-I173 WeakPolarHBondContact CD2-CG2 3.19Å; H154-I173 WeakPolarHBondContact NE2-CG2 3.23Å; L157-I173 HydrophobicContact CD1-CG2 4.35Å; L162-I173 HydrophobicContact CD2-CB 4.33Å; L162-I173 HydrophobicContact CD2-CG1 3.77Å; L162-I173 HydrophobicContact CD2-CG2 4.43Å; I173-F176 HydrophobicContact CG2-CZ 4.23Å
174	C	92	Very high	77.9	Confident	21 Å²	21	33.3 Å²	33.3	14%	0.142	20%	0.2	C	C	.	.			trans	-139.1	178.2	177.4	74.9	0	0	0	0	113.6	V90 H154 N161 L163	V90-C174 HydrophobicContact CB-CB 4.25Å; V90-C174 HydrophobicContact CG2-CB 3.7Å; H154-C174 PolarHBondContact CE1-O 2.79Å; H154-C174 PolarHBondContact NE2-O 3.23Å; N161-C174 PolarHBondContact O-N 2.93Å; N161-C174 PolarHBondContact O-SG 2.8Å; N161-C174 VanDerWaalsContact O-SG 3.39Å; L163-C174 HydrophobicContact CD1-CB 4.22Å; L163-C174 HydrophobicContact CG-CB 4.35Å
175	D	81.2	Confident	75.5	Confident	24 Å²	24	34.4 Å²	34.4	13%	0.128	21%	0.205	C	C	.	.			trans	65.1	66.7	178.7	-157.6	22.4	0	0	0	115.6	K63 G177	K63-D175 IonicContact NZ-OD1 3.07Å; K63-D175 PolarHBondContact NZ-OD1 3.45Å; D175-G177 VanDerWaalsContact C-N 3.26Å; D175-G177 PolarHBondContact O-N 3.12Å
176	F	72	Confident	73.1	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-80.5	2.4	179.8	-67.4	-88	0	0	0	114.4	E77 Q80 L81 I89 L144 L152 H154 I173 T178 A179	E77-F176 HydrophobicContact CG-CB 4.2Å; Q80-F176 HydrophobicContact CB-CB 4.17Å; L81-F176 HydrophobicContact CD2-CD2 3.47Å; L81-F176 VanDerWaalsContact CD2-CD2 3.47Å; L81-F176 HydrophobicContact CD2-CE2 3.66Å; L81-F176 HydrophobicContact CG-CD2 3.95Å; I89-F176 HydrophobicContact CD1-CZ 4.47Å; I89-F176 HydrophobicContact CG2-CE2 3.72Å; I89-F176 HydrophobicContact CG2-CZ 3.64Å; L144-F176 HydrophobicContact CD1-CE1 3.68Å; L144-F176 HydrophobicContact CD1-CZ 4.24Å; L144-F176 HydrophobicContact CD2-CE1 3.76Å; L144-F176 HydrophobicContact CD2-CZ 4.29Å; L144-F176 HydrophobicContact CG-CE1 4.36Å; L152-F176 HydrophobicContact CD1-CD1 4.47Å; L152-F176 HydrophobicContact CD2-CD1 3.94Å; L152-F176 HydrophobicContact CD2-CE1 4.17Å; H154-F176 AromaticContact CD2-CE1 3.85Å; I173-F176 HydrophobicContact CG2-CZ 4.23Å; F176-T178 PolarHBondContact O-N 2.96Å; F176-A179 WeakPolarHBondContact O-CB 3.45Å; F176-A179 PolarHBondContact O-N 3.45Å; F176-A179 VanDerWaalsContact O-N 3.12Å
177	G	59.8	Low	70.5	Confident	6 Å²	6	42.6 Å²	42.6	6%	0.062	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-59	-21.4	-177.2	0	0	0	0	0	114.4	D175	D175-G177 VanDerWaalsContact C-N 3.26Å; D175-G177 PolarHBondContact O-N 3.12Å
178	T	61.5	Low	68.1	Low	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-84.4	-13.9	-178.5	72.5	0	0	0	0	114.2	F47 H154 R155 D156 F176 C180 H185	F47-T178 HydrophobicContact CE2-CG2 4.2Å; H154-T178 PolarHBondContact O-OG1 2.71Å; R155-T178 WeakPolarHBondContact CD-O 3.37Å; R155-T178 PolarHBondContact NH1-O 3Å; D156-T178 HydrophobicContact CB-CG2 3.76Å; F176-T178 PolarHBondContact O-N 2.96Å; T178-C180 PolarHBondContact O-N 3.27Å; T178-H185 WeakPolarHBondContact CA-NE2 3.2Å; T178-H185 VanDerWaalsContact CG2-CE1 3.41Å; T178-H185 WeakPolarHBondContact CG2-CE1 3.41Å
179	A	57.1	Low	66	Low	9 Å²	9	46.3 Å²	46.3	7%	0.074	25%	0.252	C	S	.	.	S	Bend	trans	-68.7	-6.7	-164.6	0	0	0	0	0	115.8	L152 R155 F176	L152-A179 HydrophobicContact CD2-CB 4.01Å; R155-A179 VanDerWaalsContact CZ-O 3.3Å; F176-A179 WeakPolarHBondContact O-CB 3.45Å; F176-A179 PolarHBondContact O-N 3.45Å; F176-A179 VanDerWaalsContact O-N 3.12Å
180	C	50.7	Low	63.8	Low	56 Å²	56	51.3 Å²	51.3	38%	0.378	27%	0.272	S	S	.	.	S	Bend	trans	-129.2	-22.7	-174.6	-69.6	0	0	0	0	116.3	V76 Q80 T178	V76-C180 HydrophobicContact CG1-CB 3.77Å; V76-C180 HydrophobicContact CG2-CB 4.21Å; Q80-C180 PolarHBondContact NE2-SG 3.46Å; T178-C180 PolarHBondContact O-N 3.27Å
181	D	49.4	Very low	62.3	Low	32 Å²	32	52 Å²	52	17%	0.171	29%	0.288	C	S	.	.			trans	-94	153.8	-180	-144.8	-51.4	0	0	0	112.3	K72 R155 Q183 T184	K72-D181 IonicContact NZ-OD2 3.13Å; K72-D181 PolarHBondContact NZ-OD2 3.2Å; R155-D181 PolarHBondContact NH1-O 3.41Å; D181-Q183 PolarHBondContact OD1-N 3.42Å; D181-T184 WeakPolarHBondContact CB-OG1 3.29Å; D181-T184 VanDerWaalsContact CG-OG1 3.31Å
182	I	46.7	Very low	61.6	Low	110 Å²	110	52.1 Å²	52.1	56%	0.564	29%	0.29	S	S	*	.	S	Bend	trans	-121.9	-35.5	178.2	-62.5	180	0	0	0	110
183	Q	41.8	Very low	61.2	Low	180 Å²	180	51.4 Å²	51.4	84%	0.841	29%	0.287	S	S	*	.	S	Bend	trans	-87.4	-24.9	-168.3	-69	-179.3	-33.1	0	0	113	D181	D181-Q183 PolarHBondContact OD1-N 3.42Å
184	T	46	Very low	61	Low	67 Å²	67	51.9 Å²	51.9	41%	0.411	29%	0.291	S	S	.	.	S	Bend	trans	-83.9	-14.6	179.6	53.6	0	0	0	0	114.6	D181	D181-T184 WeakPolarHBondContact CB-OG1 3.29Å; D181-T184 VanDerWaalsContact CG-OG1 3.31Å
185	H	47.9	Very low	61.2	Low	22 Å²	22	51.8 Å²	51.8	10%	0.102	29%	0.288	C	S	.	.	H	α-helix	trans	-83.7	-31.8	-163.3	-91	-66.9	0	0	0	116.3	T178 T187 N188 N189	T178-H185 WeakPolarHBondContact CA-NE2 3.2Å; T178-H185 VanDerWaalsContact CG2-CE1 3.41Å; T178-H185 WeakPolarHBondContact CG2-CE1 3.41Å; H185-T187 VanDerWaalsContact C-N 3.26Å; H185-T187 PolarHBondContact O-N 3.31Å; H185-N188 PolarHBondContact O-N 2.98Å; H185-N189 PolarHBondContact ND1-OD1 3.39Å; H185-N189 VanDerWaalsContact O-CB 3.31Å; H185-N189 WeakPolarHBondContact O-CB 3.19Å; H185-N189 PolarHBondContact O-N 3.45Å
186	M	46.3	Very low	61.8	Low	144 Å²	144	51.7 Å²	51.7	71%	0.709	29%	0.287	S	S	*	.	H	α-helix	trans	-64.4	-29.8	-178.2	-74	-157.1	-97.6	0	0	113.3
187	T	43.4	Very low	62.9	Low	98 Å²	98	51.7 Å²	51.7	60%	0.601	29%	0.287	S	S	*	.	H	α-helix	trans	-79.4	-30.9	177.8	6.3	0	0	0	0	113.6	H185 K190	H185-T187 VanDerWaalsContact C-N 3.26Å; H185-T187 PolarHBondContact O-N 3.31Å; T187-K190 WeakPolarHBondContact O-CE 3.33Å
188	N	46.5	Very low	64.5	Low	90 Å²	90	51.4 Å²	51.4	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-100	-25.8	-172.2	-76.5	7.8	0	0	0	114.1	H185 K190	H185-N188 PolarHBondContact O-N 2.98Å; N188-K190 PolarHBondContact O-N 3.36Å
189	N	51.9	Low	65.9	Low	25 Å²	25	51.7 Å²	51.7	13%	0.134	29%	0.285	C	S	.	.			trans	-74	32.9	-179	-75.8	20.3	0	0	0	114.2	H185 G191 S192	H185-N189 PolarHBondContact ND1-OD1 3.39Å; H185-N189 VanDerWaalsContact O-CB 3.31Å; H185-N189 WeakPolarHBondContact O-CB 3.19Å; H185-N189 PolarHBondContact O-N 3.45Å; N189-G191 PolarHBondContact O-N 3.13Å; N189-S192 PolarHBondContact O-N 3.06Å
190	K	52.6	Low	67.5	Low	126 Å²	126	52.7 Å²	52.7	55%	0.548	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-28.4	-177.9	-71.7	173.8	168.1	-177.5	0	114.1	T187 N188 Y500	T187-K190 WeakPolarHBondContact O-CE 3.33Å; N188-K190 PolarHBondContact O-N 3.36Å; K190-Y500 HydrophobicContact CD-CE1 4.39Å; K190-Y500 VanDerWaalsContact CD-OH 3.32Å; K190-Y500 WeakPolarHBondContact CD-OH 3.48Å; K190-Y500 WeakPolarHBondContact CG-OH 3.49Å
191	G	68.4	Low	69.1	Low	59 Å²	59	51.5 Å²	51.5	61%	0.608	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-8.6	176.9	0	0	0	0	0	115.7	N189 W195	N189-G191 PolarHBondContact O-N 3.13Å; G191-W195 WeakPolarHBondContact O-CZ3 3.35Å
192	S	82.3	Confident	70.7	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.028	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-8.1	-169.6	-54.4	0	0	0	0	114.9	D156 K158 N189 A194 W195 M196	D156-S192 WeakPolarHBondContact OD1-CB 3.44Å; D156-S192 PolarHBondContact OD1-OG 2.74Å; K158-S192 PolarHBondContact NZ-OG 3.47Å; N189-S192 PolarHBondContact O-N 3.06Å; S192-A194 PolarHBondContact O-N 2.97Å; S192-W195 PolarHBondContact O-N 2.92Å; S192-M196 PolarHBondContact O-N 3.43Å
193	A	89.8	Confident	72.1	Confident	4 Å²	4	51 Å²	51	3%	0.033	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.1	-169	0	0	0	0	0	115.6	M196 A236 M240	A193-M196 HydrophobicContact CB-CE 4.49Å; A193-A236 HydrophobicContact CB-CB 3.83Å; A193-M240 HydrophobicContact CB-CG 3.93Å; A193-M240 HydrophobicContact CB-SD 4.45Å
194	A	94.6	Very high	73.8	Confident	10 Å²	10	45 Å²	45	8%	0.083	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-23	178	0	0	0	0	0	114.1	S192 P228 F229	S192-A194 PolarHBondContact O-N 2.97Å; A194-P228 HydrophobicContact CB-CB 4.27Å; A194-P228 HydrophobicContact CB-CG 3.87Å; A194-F229 HydrophobicContact CB-CD2 4Å; A194-F229 WeakPolarHBondContact O-CE2 3.49Å
195	W	96	Very high	75.5	Confident	19 Å²	19	50 Å²	50	7%	0.072	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-8.7	178.2	-57.3	-85.8	0	0	0	113.1	Y113 K158 P159 G191 S192 S214 I217 E221 P228	Y113-W195 HydrophobicContact CE2-CH2 4.19Å; K158-W195 HydrophobicContact CB-CB 4.26Å; K158-W195 HydrophobicContact CB-CD2 3.74Å; K158-W195 HydrophobicContact CB-CE3 3.8Å; K158-W195 HydrophobicContact CB-CG 3.93Å; K158-W195 HydrophobicContact CB-CZ3 4.45Å; K158-W195 HydrophobicContact CD-CE3 4.42Å; P159-W195 VanDerWaalsContact CD-CE2 3.43Å; P159-W195 HydrophobicContact CG-CZ2 4.19Å; G191-W195 WeakPolarHBondContact O-CZ3 3.35Å; S192-W195 PolarHBondContact O-N 2.92Å; W195-S214 VanDerWaalsContact O-CA 3.3Å; W195-S214 WeakPolarHBondContact O-CA 3.24Å; W195-S214 VanDerWaalsContact O-CB 3.3Å; W195-S214 WeakPolarHBondContact O-CB 3.36Å; W195-S214 PolarHBondContact O-OG 3.14Å; W195-I217 VanDerWaalsContact CD1-CG2 3.5Å; W195-I217 HydrophobicContact CG-CG2 4.31Å; W195-E221 WeakPolarHBondContact CZ2-OE2 3.47Å; W195-E221 PolarHBondContact NE1-OE2 3.31Å; W195-P228 HydrophobicContact CZ2-CG 3.86Å
196	M	93.1	Very high	77.2	Confident	21 Å²	21	51.3 Å²	51.3	10%	0.103	30%	0.296	C	S	.	.			trans	-78.2	132.1	-174.5	-171.8	162	44.4	0	0	112	S192 A193 V200 F201 F213 M240	S192-M196 PolarHBondContact O-N 3.43Å; A193-M196 HydrophobicContact CB-CE 4.49Å; M196-V200 HydrophobicContact CG-CB 4.01Å; M196-V200 HydrophobicContact CG-CG1 4.01Å; M196-V200 HydrophobicContact SD-CB 4.45Å; M196-V200 HydrophobicContact SD-CG1 3.92Å; M196-F201 HydrophobicContact CB-CD1 4.39Å; M196-F201 HydrophobicContact CE-CB 4.04Å; M196-F201 HydrophobicContact CE-CD1 4.02Å; M196-F201 HydrophobicContact CE-CG 4.5Å; M196-F201 HydrophobicContact CG-CD1 4.02Å; M196-F201 HydrophobicContact SD-CB 4.35Å; M196-F201 HydrophobicContact SD-CD1 4.5Å; M196-F213 WeakPolarHBondContact O-CE1 3.39Å; M196-M240 HydrophobicContact CE-SD 3.75Å
197	A	94.6	Very high	79.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	28%	0.277	C	S	.	.			trans	-68.9	146.5	178.7	0	0	0	0	0	111.9	E199 V200 C210 F213	A197-E199 VanDerWaalsContact C-N 3.35Å; A197-E199 VanDerWaalsContact CB-OE1 3.31Å; A197-E199 WeakPolarHBondContact CB-OE1 3.43Å; A197-E199 WeakPolarHBondContact CB-OE2 3.3Å; A197-E199 PolarHBondContact O-N 3.34Å; A197-V200 HydrophobicContact CB-CG2 4.14Å; A197-V200 WeakPolarHBondContact O-CB 3.3Å; A197-V200 PolarHBondContact O-N 2.68Å; A197-V200 VanDerWaalsContact O-N 3.12Å; A197-C210 HydrophobicContact CB-CB 3.85Å; A197-F213 HydrophobicContact CB-CB 3.68Å; A197-F213 HydrophobicContact CB-CD1 4.03Å; A197-F213 HydrophobicContact CB-CD2 4.38Å; A197-F213 HydrophobicContact CB-CG 3.79Å
198	P	93.6	Very high	81.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.6	-44.1	-174.8	21.1	-32	0	0	0	113	V200 F201 E202 F213 V243 K269	P198-V200 PolarHBondContact O-N 2.78Å; P198-V200 VanDerWaalsContact O-N 3.1Å; P198-F201 HydrophobicContact CB-CZ 4.13Å; P198-F201 PolarHBondContact O-N 2.84Å; P198-E202 WeakPolarHBondContact O-CB 3.43Å; P198-E202 WeakPolarHBondContact O-CG 3.45Å; P198-E202 PolarHBondContact O-N 2.93Å; P198-F213 HydrophobicContact CG-CE2 4.49Å; P198-V243 HydrophobicContact CB-CG1 4.38Å; P198-K269 HydrophobicContact CG-CG 4.47Å
199	E	92.3	Very high	84	Confident	9 Å²	9	41.8 Å²	41.8	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-22.4	-178	69.9	-80.1	-174.5	0	0	113.7	A197 S204 P271 R274	A197-E199 VanDerWaalsContact C-N 3.35Å; A197-E199 VanDerWaalsContact CB-OE1 3.31Å; A197-E199 WeakPolarHBondContact CB-OE1 3.43Å; A197-E199 WeakPolarHBondContact CB-OE2 3.3Å; A197-E199 PolarHBondContact O-N 3.34Å; E199-S204 WeakPolarHBondContact O-CB 3.45Å; E199-S204 PolarHBondContact O-N 3.34Å; E199-P271 HydrophobicContact CG-CG 4.18Å; E199-R274 IonicContact OE1-CZ 3.18Å; E199-R274 IonicContact OE1-NH1 3.03Å; E199-R274 PolarHBondContact OE1-NH1 2.78Å; E199-R274 IonicContact OE1-NH2 2.65Å; E199-R274 IonicContact OE2-CZ 3.73Å; E199-R274 IonicContact OE2-NH1 2.65Å; E199-R274 PolarHBondContact OE2-NH1 3.25Å; E199-R274 IonicContact OE2-NH2 2.93Å; E199-R274 PolarHBondContact OE2-NH2 3.15Å
200	V	88.9	Confident	86.1	Confident	30 Å²	30	40.7 Å²	40.7	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-76.2	-41.4	-179.3	178.9	0	0	0	0	111.2	M196 A197 P198 Y206 C210	M196-V200 HydrophobicContact CG-CB 4.01Å; M196-V200 HydrophobicContact CG-CG1 4.01Å; M196-V200 HydrophobicContact SD-CB 4.45Å; M196-V200 HydrophobicContact SD-CG1 3.92Å; A197-V200 HydrophobicContact CB-CG2 4.14Å; A197-V200 WeakPolarHBondContact O-CB 3.3Å; A197-V200 PolarHBondContact O-N 2.68Å; A197-V200 VanDerWaalsContact O-N 3.12Å; P198-V200 PolarHBondContact O-N 2.78Å; P198-V200 VanDerWaalsContact O-N 3.1Å; V200-Y206 HydrophobicContact CG2-CD1 4.27Å; V200-Y206 HydrophobicContact CG2-CD2 4.37Å; V200-Y206 HydrophobicContact CG2-CG 3.98Å; V200-C210 HydrophobicContact CG2-CB 3.57Å
201	F	84	Confident	88.2	Confident	31 Å²	31	34.7 Å²	34.7	14%	0.136	21%	0.212	C	C	.	.	H	α-helix	trans	-90.6	-14.9	176.8	63.1	-114.2	0	0	0	113.5	M196 P198 G203 M240 V243 H244	M196-F201 HydrophobicContact CB-CD1 4.39Å; M196-F201 HydrophobicContact CE-CB 4.04Å; M196-F201 HydrophobicContact CE-CD1 4.02Å; M196-F201 HydrophobicContact CE-CG 4.5Å; M196-F201 HydrophobicContact CG-CD1 4.02Å; M196-F201 HydrophobicContact SD-CB 4.35Å; M196-F201 HydrophobicContact SD-CD1 4.5Å; P198-F201 HydrophobicContact CB-CZ 4.13Å; P198-F201 PolarHBondContact O-N 2.84Å; F201-G203 PolarHBondContact O-N 2.68Å; F201-M240 HydrophobicContact CB-SD 3.72Å; F201-M240 HydrophobicContact CD1-CB 4.22Å; F201-M240 HydrophobicContact CD1-CG 3.85Å; F201-M240 HydrophobicContact CD1-SD 4.05Å; F201-M240 HydrophobicContact CD2-CB 3.94Å; F201-M240 HydrophobicContact CD2-CG 4.33Å; F201-M240 HydrophobicContact CD2-SD 4.4Å; F201-M240 HydrophobicContact CE1-CB 4.08Å; F201-M240 HydrophobicContact CE1-CG 4.01Å; F201-M240 HydrophobicContact CE2-CB 3.82Å; F201-M240 HydrophobicContact CE2-CG 4.49Å; F201-M240 WeakPolarHBondContact CE2-O 3.31Å; F201-M240 HydrophobicContact CG-CB 4.15Å; F201-M240 HydrophobicContact CG-CG 4.01Å; F201-M240 HydrophobicContact CG-SD 3.83Å; F201-M240 HydrophobicContact CZ-CB 3.88Å; F201-M240 HydrophobicContact CZ-CG 4.33Å; F201-M240 WeakPolarHBondContact CZ-O 3.37Å; F201-V243 HydrophobicContact CE1-CB 4.38Å; F201-V243 HydrophobicContact CE1-CG1 4.08Å; F201-V243 HydrophobicContact CZ-CB 4Å; F201-V243 HydrophobicContact CZ-CG1 3.89Å; F201-H244 HydrophobicContact CE2-CB 4.15Å
202	E	84.9	Confident	89.6	Confident	71 Å²	71	31.9 Å²	31.9	33%	0.332	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.3	164.9	-73.3	168.2	-175.9	0	0	112.2	P198 S204 H244 K269	P198-E202 WeakPolarHBondContact O-CB 3.43Å; P198-E202 WeakPolarHBondContact O-CG 3.45Å; P198-E202 PolarHBondContact O-N 2.93Å; E202-S204 PolarHBondContact O-N 2.74Å; E202-H244 IonicContact OE1-CD2 2.65Å; E202-H244 PolarHBondContact OE1-CD2 3.2Å; E202-H244 IonicContact OE1-NE2 2.68Å; E202-K269 VanDerWaalsContact OE1-CE 3.3Å; E202-K269 WeakPolarHBondContact OE1-CE 3.46Å; E202-K269 IonicContact OE1-NZ 2.76Å; E202-K269 PolarHBondContact OE1-NZ 3.08Å
203	G	75.8	Confident	90.4	Very high	59 Å²	59	31.7 Å²	31.7	61%	0.608	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	13.6	-175.8	0	0	0	0	0	114	F201	F201-G203 PolarHBondContact O-N 2.68Å
204	S	77.2	Confident	90.8	Very high	54 Å²	54	31.7 Å²	31.7	38%	0.378	18%	0.181	S	C	.	.			trans	-76.1	164.8	-178.3	-70	0	0	0	0	112.3	E199 E202 Y206	E199-S204 WeakPolarHBondContact O-CB 3.45Å; E199-S204 PolarHBondContact O-N 3.34Å; E202-S204 PolarHBondContact O-N 2.74Å; S204-Y206 PolarHBondContact O-N 3.45Å
205	N	81.6	Confident	91	Very high	174 Å²	174	31.2 Å²	31.2	93%	0.93	18%	0.178	S	C	*	.			trans	-63.6	103.2	167.9	-76.1	-13.5	0	0	0	110
206	Y	82.7	Confident	91.1	Very high	49 Å²	49	30.3 Å²	30.3	19%	0.192	17%	0.174	C	C	.	.			trans	-97	160.9	175.2	64.8	-94.2	0	0	0	111.9	R155 V200 S204	R155-Y206 HydrophobicContact CG-CE2 4.16Å; R155-Y206 PolarHBondContact NE-OH 3.24Å; R155-Y206 PolarHBondContact NH1-OH 2.89Å; R155-Y206 PolarHBondContact NH2-OH 2.84Å; V200-Y206 HydrophobicContact CG2-CD1 4.27Å; V200-Y206 HydrophobicContact CG2-CD2 4.37Å; V200-Y206 HydrophobicContact CG2-CG 3.98Å; S204-Y206 PolarHBondContact O-N 3.45Å
207	S	90.2	Very high	91.4	Very high	44 Å²	44	29.3 Å²	29.3	31%	0.308	17%	0.169	S	C	.	.			trans	-129.9	-168.6	176.9	88.2	0	0	0	0	111.3	K209 C210	S207-K209 PolarHBondContact O-N 2.84Å; S207-K209 WeakPolarHBondContact OG-CG 3.45Å; S207-K209 PolarHBondContact OG-N 3.1Å; S207-C210 PolarHBondContact O-N 3.02Å; S207-C210 VanDerWaalsContact O-N 3.08Å; S207-C210 PolarHBondContact O-SG 2.88Å
208	E	93	Very high	91.6	Very high	59 Å²	59	29.3 Å²	29.3	28%	0.276	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-20.2	172.8	88.6	-60.9	160.6	0	0	113.5	H145 I153 C210 D211	H145-E208 PolarHBondContact CE1-O 2.88Å; I153-E208 HydrophobicContact CG1-CB 4.17Å; E208-C210 PolarHBondContact O-N 3.38Å; E208-D211 PolarHBondContact O-N 3.32Å
209	K	96.9	Very high	91.8	Very high	29 Å²	29	29.3 Å²	29.3	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-11.5	174.3	-60.4	-55.9	-167	73.3	0	114.9	S207 V212 F213 P271 R274	S207-K209 PolarHBondContact O-N 2.84Å; S207-K209 WeakPolarHBondContact OG-CG 3.45Å; S207-K209 PolarHBondContact OG-N 3.1Å; K209-V212 HydrophobicContact CD-CG2 4.2Å; K209-V212 PolarHBondContact O-N 3.05Å; K209-F213 PolarHBondContact O-N 3.45Å; K209-P271 HydrophobicContact CB-CB 3.8Å; K209-P271 HydrophobicContact CG-CB 4.33Å; K209-P271 WeakPolarHBondContact CG-O 3.41Å; K209-P271 PolarHBondContact NZ-O 2.94Å; K209-R274 HydrophobicContact CD-CB 4.34Å; K209-R274 PolarHBondContact NZ-O 3.48Å; K209-R274 WeakPolarHBondContact O-CD 3.45Å; K209-R274 PolarHBondContact O-NH1 3.21Å
210	C	95.4	Very high	92.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-68.4	-42.9	171	64	0	0	0	0	111.4	I153 A197 V200 S207 E208 V212 F213 S214	I153-C210 VanDerWaalsContact CG2-SG 3.51Å; A197-C210 HydrophobicContact CB-CB 3.85Å; V200-C210 HydrophobicContact CG2-CB 3.57Å; S207-C210 PolarHBondContact O-N 3.02Å; S207-C210 VanDerWaalsContact O-N 3.08Å; S207-C210 PolarHBondContact O-SG 2.88Å; E208-C210 PolarHBondContact O-N 3.38Å; C210-V212 PolarHBondContact O-N 3.25Å; C210-F213 WeakPolarHBondContact O-CB 3.38Å; C210-F213 PolarHBondContact O-N 3.05Å; C210-S214 PolarHBondContact O-N 3.46Å; C210-S214 PolarHBondContact O-OG 3.38Å
211	D	96.8	Very high	92.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-30.4	175.4	-59.3	-28.6	0	0	0	111.8	V141 H145 I153 H154 R155 E208 S214 W215	V141-D211 HydrophobicContact CG1-CB 3.85Å; H145-D211 IonicContact CD2-OD2 3.96Å; H145-D211 IonicContact CE1-OD2 2.68Å; H145-D211 IonicContact NE2-OD2 3.78Å; H145-D211 PolarHBondContact NE2-OD2 3.2Å; I153-D211 WeakPolarHBondContact CG2-OD2 3.48Å; H154-D211 WeakPolarHBondContact CB-OD1 3.43Å; H154-D211 PolarHBondContact N-OD1 3.2Å; H154-D211 PolarHBondContact N-OD2 3.03Å; R155-D211 PolarHBondContact N-OD1 2.75Å; E208-D211 PolarHBondContact O-N 3.32Å; D211-S214 PolarHBondContact O-N 3.48Å; D211-W215 WeakPolarHBondContact O-CB 3.44Å; D211-W215 PolarHBondContact O-N 3.42Å
212	V	98.6	Very high	93.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.5	-39.9	175.4	178.2	0	0	0	0	112	K209 C210 G216 C266 R274 P275 M277 I280	K209-V212 HydrophobicContact CD-CG2 4.2Å; K209-V212 PolarHBondContact O-N 3.05Å; C210-V212 PolarHBondContact O-N 3.25Å; V212-G216 PolarHBondContact O-N 3.25Å; V212-G216 VanDerWaalsContact O-N 3.1Å; V212-C266 HydrophobicContact CG1-CB 4.11Å; V212-C266 WeakPolarHBondContact O-CB 3.3Å; V212-R274 HydrophobicContact CB-CB 4.43Å; V212-R274 HydrophobicContact CG1-CB 3.83Å; V212-P275 HydrophobicContact CG1-CG 4.06Å; V212-M277 HydrophobicContact CB-CE 4.42Å; V212-M277 HydrophobicContact CG2-CE 4.02Å; V212-M277 HydrophobicContact CG2-CG 4.12Å; V212-I280 HydrophobicContact CG1-CD1 3.94Å; V212-I280 HydrophobicContact CG2-CD1 4.5Å
213	F	98.4	Very high	94	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.3	-48.8	173.8	-178.8	-79.8	0	0	0	110.4	M196 A197 P198 K209 C210 W215 G216 I217 V243 C266 W267	M196-F213 WeakPolarHBondContact O-CE1 3.39Å; A197-F213 HydrophobicContact CB-CB 3.68Å; A197-F213 HydrophobicContact CB-CD1 4.03Å; A197-F213 HydrophobicContact CB-CD2 4.38Å; A197-F213 HydrophobicContact CB-CG 3.79Å; P198-F213 HydrophobicContact CG-CE2 4.49Å; K209-F213 PolarHBondContact O-N 3.45Å; C210-F213 WeakPolarHBondContact O-CB 3.38Å; C210-F213 PolarHBondContact O-N 3.05Å; F213-W215 VanDerWaalsContact C-N 3.34Å; F213-W215 PolarHBondContact O-N 3.15Å; F213-G216 WeakPolarHBondContact O-CA 3.35Å; F213-G216 PolarHBondContact O-N 2.86Å; F213-I217 HydrophobicContact CD1-CG1 4.18Å; F213-I217 HydrophobicContact CE1-CD1 4.17Å; F213-I217 HydrophobicContact CE1-CG1 3.85Å; F213-I217 HydrophobicContact CZ-CD1 4.4Å; F213-I217 PolarHBondContact O-N 3.12Å; F213-I217 VanDerWaalsContact O-N 3.17Å; F213-V243 HydrophobicContact CZ-CG1 3.8Å; F213-C266 WeakPolarHBondContact CA-O 3.34Å; F213-W267 HydrophobicContact CD2-CB 4.01Å; F213-W267 HydrophobicContact CE2-CB 3.86Å; F213-W267 HydrophobicContact CZ-CB 4.44Å
214	S	98.1	Very high	95	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-58.2	-44.7	179.3	-53.3	0	0	0	0	112.2	L157 W195 C210 D211 G216 I217 I218	L157-S214 WeakPolarHBondContact O-CB 3.36Å; W195-S214 VanDerWaalsContact O-CA 3.3Å; W195-S214 WeakPolarHBondContact O-CA 3.24Å; W195-S214 VanDerWaalsContact O-CB 3.3Å; W195-S214 WeakPolarHBondContact O-CB 3.36Å; W195-S214 PolarHBondContact O-OG 3.14Å; C210-S214 PolarHBondContact O-N 3.46Å; C210-S214 PolarHBondContact O-OG 3.38Å; D211-S214 PolarHBondContact O-N 3.48Å; S214-G216 VanDerWaalsContact C-N 3.31Å; S214-G216 PolarHBondContact O-N 3.18Å; S214-I217 PolarHBondContact O-N 3.11Å; S214-I217 VanDerWaalsContact O-N 3.16Å; S214-I218 VanDerWaalsContact O-CG1 3.3Å; S214-I218 WeakPolarHBondContact O-CG1 3.38Å; S214-I218 PolarHBondContact O-N 2.93Å
215	W	98.8	Very high	96	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-37.3	174.5	-175.3	94.4	0	0	0	113	C134 L157 D211 F213 I217 I218 L219 L262 M277 I280 M284	C134-W215 HydrophobicContact CB-CZ2 3.77Å; C134-W215 PolarHBondContact O-NE1 2.91Å; L157-W215 HydrophobicContact CD2-CB 4.2Å; D211-W215 WeakPolarHBondContact O-CB 3.44Å; D211-W215 PolarHBondContact O-N 3.42Å; F213-W215 VanDerWaalsContact C-N 3.34Å; F213-W215 PolarHBondContact O-N 3.15Å; W215-I217 VanDerWaalsContact C-N 3.32Å; W215-I217 PolarHBondContact O-N 3.09Å; W215-I218 PolarHBondContact O-N 3.12Å; W215-L219 HydrophobicContact CH2-CD2 3.77Å; W215-L219 HydrophobicContact CZ3-CB 4.37Å; W215-L219 HydrophobicContact CZ3-CD2 3.71Å; W215-L219 WeakPolarHBondContact O-CB 3.28Å; W215-L219 PolarHBondContact O-N 2.9Å; W215-L262 HydrophobicContact CH2-CD2 3.76Å; W215-L262 HydrophobicContact CH2-CG 4.36Å; W215-L262 HydrophobicContact CZ3-CD2 4.06Å; W215-L262 HydrophobicContact CZ3-CG 4.14Å; W215-M277 HydrophobicContact CB-CE 3.52Å; W215-M277 HydrophobicContact CD2-CE 4.45Å; W215-M277 HydrophobicContact CG-CE 3.74Å; W215-I280 HydrophobicContact CD2-CD1 4.36Å; W215-I280 HydrophobicContact CD2-CG2 4.16Å; W215-I280 HydrophobicContact CE3-CD1 4.01Å; W215-I280 HydrophobicContact CE3-CG2 4.18Å; W215-I280 HydrophobicContact CH2-CG2 3.44Å; W215-I280 VanDerWaalsContact CH2-CG2 3.44Å; W215-I280 HydrophobicContact CZ2-CG2 3.36Å; W215-I280 HydrophobicContact CZ3-CD1 4.33Å; W215-I280 HydrophobicContact CZ3-CG1 4.43Å; W215-I280 HydrophobicContact CZ3-CG2 3.86Å; W215-M284 HydrophobicContact CH2-CE 4.4Å; W215-M284 HydrophobicContact CH2-CG 3.95Å; W215-M284 HydrophobicContact CH2-SD 3.83Å; W215-M284 HydrophobicContact CZ2-CE 4.1Å; W215-M284 HydrophobicContact CZ2-CG 3.88Å; W215-M284 HydrophobicContact CZ2-SD 4.03Å
216	G	98.8	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-36.7	174.1	0	0	0	0	0	113.5	V212 F213 S214 W220	V212-G216 PolarHBondContact O-N 3.25Å; V212-G216 VanDerWaalsContact O-N 3.1Å; F213-G216 WeakPolarHBondContact O-CA 3.35Å; F213-G216 PolarHBondContact O-N 2.86Å; S214-G216 VanDerWaalsContact C-N 3.31Å; S214-G216 PolarHBondContact O-N 3.18Å; G216-W220 PolarHBondContact O-N 3.1Å
217	I	98.7	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-70.8	-44.1	173	-56.9	-64.6	0	0	0	110.8	W195 F213 S214 W215 L219 W220 E221 P228 F229 P249 W267	W195-I217 VanDerWaalsContact CD1-CG2 3.5Å; W195-I217 HydrophobicContact CG-CG2 4.31Å; F213-I217 HydrophobicContact CD1-CG1 4.18Å; F213-I217 HydrophobicContact CE1-CD1 4.17Å; F213-I217 HydrophobicContact CE1-CG1 3.85Å; F213-I217 HydrophobicContact CZ-CD1 4.4Å; F213-I217 PolarHBondContact O-N 3.12Å; F213-I217 VanDerWaalsContact O-N 3.17Å; S214-I217 PolarHBondContact O-N 3.11Å; S214-I217 VanDerWaalsContact O-N 3.16Å; W215-I217 VanDerWaalsContact C-N 3.32Å; W215-I217 PolarHBondContact O-N 3.09Å; I217-L219 VanDerWaalsContact C-N 3.3Å; I217-L219 PolarHBondContact O-N 3.19Å; I217-W220 WeakPolarHBondContact O-CB 3.47Å; I217-W220 PolarHBondContact O-N 3.04Å; I217-W220 VanDerWaalsContact O-N 3.16Å; I217-E221 WeakPolarHBondContact O-CB 3.48Å; I217-E221 PolarHBondContact O-N 2.94Å; I217-P228 HydrophobicContact CG2-CB 3.61Å; I217-P228 HydrophobicContact CG2-CG 3.65Å; I217-F229 HydrophobicContact CD1-CE2 4.38Å; I217-F229 HydrophobicContact CD1-CZ 4.47Å; I217-P249 HydrophobicContact CD1-CG 3.8Å; I217-W267 HydrophobicContact CD1-CE3 4Å
218	I	98.8	Very high	97.7	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-40.9	178.2	-66	163.6	0	0	0	111	L157 P159 L162 S214 W215 W220 E221 V222	L157-I218 HydrophobicContact CD2-CD1 4.12Å; L157-I218 HydrophobicContact CG-CD1 3.96Å; P159-I218 HydrophobicContact CG-CG1 4.29Å; L162-I218 HydrophobicContact CD1-CD1 4.11Å; L162-I218 HydrophobicContact CD1-CG2 4.2Å; S214-I218 VanDerWaalsContact O-CG1 3.3Å; S214-I218 WeakPolarHBondContact O-CG1 3.38Å; S214-I218 PolarHBondContact O-N 2.93Å; W215-I218 PolarHBondContact O-N 3.12Å; I218-W220 PolarHBondContact O-N 2.86Å; I218-E221 PolarHBondContact O-N 2.67Å; I218-V222 HydrophobicContact CG2-CG1 4.5Å; I218-V222 WeakPolarHBondContact O-CG2 3.35Å; I218-V222 PolarHBondContact O-N 2.87Å
219	L	98.9	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-44.9	175.2	178.3	64.5	0	0	0	112.1	M131 C134 W215 I217 E221 V222 I223 I259 M263	M131-L219 HydrophobicContact SD-CD1 4.17Å; C134-L219 HydrophobicContact CB-CD1 4.07Å; W215-L219 HydrophobicContact CH2-CD2 3.77Å; W215-L219 HydrophobicContact CZ3-CB 4.37Å; W215-L219 HydrophobicContact CZ3-CD2 3.71Å; W215-L219 WeakPolarHBondContact O-CB 3.28Å; W215-L219 PolarHBondContact O-N 2.9Å; I217-L219 VanDerWaalsContact C-N 3.3Å; I217-L219 PolarHBondContact O-N 3.19Å; L219-E221 VanDerWaalsContact C-N 3.33Å; L219-V222 WeakPolarHBondContact O-CG2 3.14Å; L219-I223 HydrophobicContact CD1-CD1 3.76Å; L219-I223 HydrophobicContact CD1-CG1 4.44Å; L219-I223 HydrophobicContact CG-CD1 4.01Å; L219-I223 WeakPolarHBondContact O-CD1 3.49Å; L219-I223 WeakPolarHBondContact O-CG1 3.25Å; L219-I223 PolarHBondContact O-N 3.2Å; L219-I259 HydrophobicContact CD2-CG2 4.19Å; L219-M263 HydrophobicContact CD2-CB 3.86Å; L219-M263 HydrophobicContact CD2-CG 4.24Å
220	W	98.8	Very high	97.6	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.019	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-42.5	175.6	177.9	92.8	0	0	0	112	G216 I217 I218 I223 T224 R226 P228 P249 P250 I252 M263 W267	G216-W220 PolarHBondContact O-N 3.1Å; I217-W220 WeakPolarHBondContact O-CB 3.47Å; I217-W220 PolarHBondContact O-N 3.04Å; I217-W220 VanDerWaalsContact O-N 3.16Å; I218-W220 PolarHBondContact O-N 2.86Å; W220-I223 PolarHBondContact O-N 3.4Å; W220-T224 HydrophobicContact CD2-CG2 4.12Å; W220-T224 HydrophobicContact CG-CG2 4.48Å; W220-T224 HydrophobicContact CZ2-CG2 3.95Å; W220-T224 WeakPolarHBondContact O-CB 3.29Å; W220-T224 WeakPolarHBondContact O-CG2 3.39Å; W220-T224 PolarHBondContact O-N 3.28Å; W220-T224 PolarHBondContact O-OG1 3.39Å; W220-R226 HydrophobicContact CH2-CB 3.68Å; W220-R226 HydrophobicContact CZ3-CB 3.96Å; W220-R226 WeakPolarHBondContact CZ3-O 3.49Å; W220-P228 HydrophobicContact CE3-CB 4.38Å; W220-P228 HydrophobicContact CZ3-CB 4.15Å; W220-P249 HydrophobicContact CD2-CB 3.4Å; W220-P249 HydrophobicContact CD2-CG 4.17Å; W220-P249 HydrophobicContact CE3-CB 3.82Å; W220-P249 HydrophobicContact CE3-CG 4.28Å; W220-P249 HydrophobicContact CG-CB 3.82Å; W220-P249 HydrophobicContact CG-CG 4.45Å; W220-P249 HydrophobicContact CH2-CB 4.09Å; W220-P249 HydrophobicContact CZ2-CB 3.69Å; W220-P249 HydrophobicContact CZ3-CB 4.15Å; W220-P250 HydrophobicContact CZ2-CG 4.01Å; W220-P250 PolarHBondContact NE1-O 3.14Å; W220-I252 HydrophobicContact CG-CD1 4.3Å; W220-M263 HydrophobicContact CB-SD 3.71Å; W220-M263 HydrophobicContact CG-SD 4.27Å; W220-W267 HydrophobicContact CB-CZ3 3.98Å; W220-W267 HydrophobicContact CG-CZ3 4.24Å
221	E	98.7	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-44.8	-177.5	169.1	167.6	-152.8	0	0	112.7	L116 H117 P159 W195 I217 I218 L219 I223 T224 R225 R226	L116-E221 HydrophobicContact CD1-CG 3.89Å; H117-E221 IonicContact CD2-OE1 3.99Å; H117-E221 IonicContact CE1-OE1 2.94Å; H117-E221 IonicContact NE2-OE1 3.21Å; H117-E221 PolarHBondContact NE2-OE1 3.03Å; P159-E221 VanDerWaalsContact CG-OE2 3.23Å; P159-E221 WeakPolarHBondContact CG-OE2 3.27Å; W195-E221 WeakPolarHBondContact CZ2-OE2 3.47Å; W195-E221 PolarHBondContact NE1-OE2 3.31Å; I217-E221 WeakPolarHBondContact O-CB 3.48Å; I217-E221 PolarHBondContact O-N 2.94Å; I218-E221 PolarHBondContact O-N 2.67Å; L219-E221 VanDerWaalsContact C-N 3.33Å; E221-I223 VanDerWaalsContact C-N 3.3Å; E221-I223 PolarHBondContact O-N 3.29Å; E221-T224 PolarHBondContact O-N 2.76Å; E221-R225 WeakPolarHBondContact O-CA 3.31Å; E221-R225 PolarHBondContact O-N 3.26Å; E221-R226 WeakPolarHBondContact CG-O 3.3Å
222	V	98.6	Very high	97.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-68.1	-27.6	175.5	-62	0	0	0	0	112.9	L112 L116 Y125 A130 W133 C134 I218 L219	L112-V222 HydrophobicContact CD1-CG1 4.43Å; L112-V222 HydrophobicContact CD2-CG1 3.97Å; L116-V222 HydrophobicContact CD1-CG1 4.09Å; L116-V222 HydrophobicContact CD2-CG1 4.37Å; Y125-V222 VanDerWaalsContact CE2-O 3.25Å; Y125-V222 WeakPolarHBondContact CE2-O 3.35Å; Y125-V222 PolarHBondContact OH-O 3.28Å; A130-V222 HydrophobicContact CB-CB 4.01Å; A130-V222 HydrophobicContact CB-CG2 3.82Å; W133-V222 HydrophobicContact CE3-CB 4.5Å; W133-V222 HydrophobicContact CE3-CG1 4.19Å; C134-V222 WeakPolarHBondContact SG-CG2 3.42Å; I218-V222 HydrophobicContact CG2-CG1 4.5Å; I218-V222 WeakPolarHBondContact O-CG2 3.35Å; I218-V222 PolarHBondContact O-N 2.87Å; L219-V222 WeakPolarHBondContact O-CG2 3.14Å
223	I	98.5	Very high	96.5	Very high	20 Å²	20	31.6 Å²	31.6	10%	0.103	15%	0.153	C	C	.	.	H	α-helix	trans	-78	-37.4	177.1	-65.4	169.4	0	0	0	111.3	L219 W220 E221 I252 L255 I259 I345	L219-I223 HydrophobicContact CD1-CD1 3.76Å; L219-I223 HydrophobicContact CD1-CG1 4.44Å; L219-I223 HydrophobicContact CG-CD1 4.01Å; L219-I223 WeakPolarHBondContact O-CD1 3.49Å; L219-I223 WeakPolarHBondContact O-CG1 3.25Å; L219-I223 PolarHBondContact O-N 3.2Å; W220-I223 PolarHBondContact O-N 3.4Å; E221-I223 VanDerWaalsContact C-N 3.3Å; E221-I223 PolarHBondContact O-N 3.29Å; I223-I252 HydrophobicContact CB-CD1 3.93Å; I223-I252 HydrophobicContact CG2-CD1 3.64Å; I223-I252 HydrophobicContact CG2-CG2 4.26Å; I223-L255 HydrophobicContact CD1-CD1 4.02Å; I223-L255 HydrophobicContact CG2-CD1 4.2Å; I223-I259 HydrophobicContact CD1-CG2 3.99Å; I223-I345 HydrophobicContact CG2-CD1 3.95Å
224	T	98.1	Very high	95.9	Very high	33 Å²	33	34.7 Å²	34.7	20%	0.202	18%	0.184	C	C	.	.	H	α-helix	trans	-91.7	-21.1	-176.3	56.2	0	0	0	0	115	W220 E221 R226 I252	W220-T224 HydrophobicContact CD2-CG2 4.12Å; W220-T224 HydrophobicContact CG-CG2 4.48Å; W220-T224 HydrophobicContact CZ2-CG2 3.95Å; W220-T224 WeakPolarHBondContact O-CB 3.29Å; W220-T224 WeakPolarHBondContact O-CG2 3.39Å; W220-T224 PolarHBondContact O-N 3.28Å; W220-T224 PolarHBondContact O-OG1 3.39Å; E221-T224 PolarHBondContact O-N 2.76Å; T224-R226 PolarHBondContact O-N 3.27Å; T224-R226 PolarHBondContact OG1-N 2.96Å; T224-I252 HydrophobicContact CG2-CD1 3.56Å; T224-I252 HydrophobicContact CG2-CG1 3.69Å
225	R	97.9	Very high	95.4	Very high	70 Å²	70	37.4 Å²	37.4	26%	0.264	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	42.6	-165.5	-151.3	-178.8	-166.7	147.2	11.4	112.6	V115 L116 P123 Y125 E221	V115-R225 PolarHBondContact O-NH2 2.97Å; L116-R225 HydrophobicContact CD2-CG 4.27Å; L116-R225 PolarHBondContact O-NE 2.67Å; P123-R225 PolarHBondContact O-NH1 2.83Å; P123-R225 PolarHBondContact O-NH2 2.87Å; Y125-R225 HydrophobicContact CE1-CG 4.13Å; Y125-R225 WeakPolarHBondContact OH-CB 3.49Å; E221-R225 WeakPolarHBondContact O-CA 3.31Å; E221-R225 PolarHBondContact O-N 3.26Å
226	R	97.6	Very high	94.9	Very high	144 Å²	144	38.4 Å²	38.4	54%	0.543	21%	0.211	S	C	.	.			trans	-124.8	144.2	178.6	-67.9	173.9	-176.7	-110.9	-3.2	110.8	H117 W220 E221 T224	H117-R226 VanDerWaalsContact CE1-C 3.41Å; W220-R226 HydrophobicContact CH2-CB 3.68Å; W220-R226 HydrophobicContact CZ3-CB 3.96Å; W220-R226 WeakPolarHBondContact CZ3-O 3.49Å; E221-R226 WeakPolarHBondContact CG-O 3.3Å; T224-R226 PolarHBondContact O-N 3.27Å; T224-R226 PolarHBondContact OG1-N 2.96Å
227	K	96.6	Very high	94.5	Very high	77 Å²	77	44.8 Å²	44.8	34%	0.335	24%	0.239	S	C	.	.			trans	-68.3	130.2	171	-62.9	178.5	-173.8	-173.8	0	108.7	Y113 D230	Y113-K227 WeakPolarHBondContact OH-CE 3.43Å; Y113-K227 PolarHBondContact OH-NZ 3.18Å; K227-D230 HydrophobicContact CB-CB 4.06Å
228	P	96.5	Very high	94.2	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.052	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	131.2	-179.9	21.6	-28.8	0	0	0	111.9	A194 W195 I217 W220 D230 P249	A194-P228 HydrophobicContact CB-CB 4.27Å; A194-P228 HydrophobicContact CB-CG 3.87Å; W195-P228 HydrophobicContact CZ2-CG 3.86Å; I217-P228 HydrophobicContact CG2-CB 3.61Å; I217-P228 HydrophobicContact CG2-CG 3.65Å; W220-P228 HydrophobicContact CE3-CB 4.38Å; W220-P228 HydrophobicContact CZ3-CB 4.15Å; P228-D230 VanDerWaalsContact C-N 3.27Å; P228-D230 PolarHBondContact O-N 3.16Å; P228-P249 HydrophobicContact CB-CG 4.42Å
229	F	95.8	Very high	93.9	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	21	-179.2	-47	-76.2	0	0	0	116	A194 I217 E231 I232 G233 I239 V243 T247 P249	A194-F229 HydrophobicContact CB-CD2 4Å; A194-F229 WeakPolarHBondContact O-CE2 3.49Å; I217-F229 HydrophobicContact CD1-CE2 4.38Å; I217-F229 HydrophobicContact CD1-CZ 4.47Å; F229-E231 WeakPolarHBondContact CA-OE2 3.48Å; F229-E231 PolarHBondContact O-N 2.98Å; F229-I232 HydrophobicContact CB-CB 4.49Å; F229-I232 HydrophobicContact CB-CD1 4.02Å; F229-I232 HydrophobicContact CB-CG1 4.17Å; F229-I232 HydrophobicContact CD1-CD1 3.83Å; F229-I232 HydrophobicContact CG-CD1 4.3Å; F229-I232 WeakPolarHBondContact O-CB 3.46Å; F229-I232 PolarHBondContact O-N 3.4Å; F229-G233 PolarHBondContact O-N 3.16Å; F229-I239 HydrophobicContact CB-CD1 4.22Å; F229-I239 HydrophobicContact CB-CG1 4.12Å; F229-I239 HydrophobicContact CB-CG2 4.1Å; F229-I239 HydrophobicContact CD2-CG2 3.72Å; F229-I239 HydrophobicContact CE2-CG2 4.33Å; F229-I239 HydrophobicContact CG-CG2 3.99Å; F229-V243 HydrophobicContact CE1-CG2 4.04Å; F229-V243 HydrophobicContact CE2-CG2 3.82Å; F229-V243 HydrophobicContact CZ-CG2 3.51Å; F229-T247 HydrophobicContact CD1-CG2 4.49Å; F229-T247 HydrophobicContact CE1-CG2 4.23Å; F229-P249 HydrophobicContact CE1-CG 4.29Å; F229-P249 HydrophobicContact CE2-CG 4.31Å; F229-P249 HydrophobicContact CZ-CG 3.98Å
230	D	92.5	Very high	93.6	Very high	115 Å²	115	53.7 Å²	53.7	62%	0.615	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-33	175.3	-152	53.1	0	0	0	111.5	K227 P228 I232 G233	K227-D230 HydrophobicContact CB-CB 4.06Å; P228-D230 VanDerWaalsContact C-N 3.27Å; P228-D230 PolarHBondContact O-N 3.16Å; D230-I232 VanDerWaalsContact C-N 3.25Å; D230-I232 PolarHBondContact O-N 3.37Å; D230-G233 PolarHBondContact O-N 3.24Å
231	E	92.2	Very high	93.3	Very high	121 Å²	121	61.7 Å²	61.7	57%	0.565	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.9	175.1	73	-80.9	-168.8	0	0	114.6	F229	F229-E231 WeakPolarHBondContact CA-OE2 3.48Å; F229-E231 PolarHBondContact O-N 2.98Å
232	I	92.1	Very high	93.2	Very high	36 Å²	36	62.3 Å²	62.3	19%	0.185	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-54.7	173	-55.8	-172.1	0	0	0	108.7	F229 D230 R238 A242 T247	F229-I232 HydrophobicContact CB-CB 4.49Å; F229-I232 HydrophobicContact CB-CD1 4.02Å; F229-I232 HydrophobicContact CB-CG1 4.17Å; F229-I232 HydrophobicContact CD1-CD1 3.83Å; F229-I232 HydrophobicContact CG-CD1 4.3Å; F229-I232 WeakPolarHBondContact O-CB 3.46Å; F229-I232 PolarHBondContact O-N 3.4Å; D230-I232 VanDerWaalsContact C-N 3.25Å; D230-I232 PolarHBondContact O-N 3.37Å; I232-R238 HydrophobicContact CG2-CB 4.04Å; I232-R238 PolarHBondContact O-NH1 3.26Å; I232-A242 HydrophobicContact CD1-CB 3.49Å; I232-A242 VanDerWaalsContact CD1-CB 3.49Å; I232-T247 HydrophobicContact CD1-CG2 4.32Å
233	G	82.6	Confident	93.1	Very high	27 Å²	27	62.2 Å²	62.2	28%	0.278	31%	0.311	S	S	.	.			trans	64.5	179.4	175.9	0	0	0	0	0	116.3	F229 D230 R238	F229-G233 PolarHBondContact O-N 3.16Å; D230-G233 PolarHBondContact O-N 3.24Å; G233-R238 PolarHBondContact O-NH1 2.96Å
234	G	86	Confident	92.8	Very high	65 Å²	65	64.6 Å²	64.6	67%	0.67	32%	0.322	S	S	*	.	S	Bend	trans	72.8	-155	-179.8	0	0	0	0	0	113.5
235	P	87.8	Confident	92.7	Very high	60 Å²	60	67.3 Å²	67.3	39%	0.39	34%	0.335	S	S	.	.	S	Bend	trans	-70.3	146.9	-172.6	28.2	-35.8	0	0	0	113.1	F237 R238	P235-F237 HydrophobicContact CB-CD1 3.82Å; P235-F237 HydrophobicContact CB-CE1 3.67Å; P235-F237 HydrophobicContact CG-CD1 3.85Å; P235-F237 HydrophobicContact CG-CE1 3.28Å; P235-F237 HydrophobicContact CG-CE2 4.49Å; P235-F237 HydrophobicContact CG-CZ 3.65Å; P235-F237 PolarHBondContact O-N 2.79Å; P235-R238 HydrophobicContact CG-CG 4.32Å; P235-R238 WeakPolarHBondContact O-CB 3.3Å; P235-R238 PolarHBondContact O-N 3.41Å
236	A	87.7	Confident	92.6	Very high	22 Å²	22	66 Å²	66	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-48.1	-33.6	-173.5	0	0	0	0	0	115.4	A193 R238 I239 M240	A193-A236 HydrophobicContact CB-CB 3.83Å; A236-R238 PolarHBondContact O-N 3.4Å; A236-I239 PolarHBondContact O-N 3.37Å; A236-I239 VanDerWaalsContact O-N 3.1Å; A236-M240 PolarHBondContact O-N 2.94Å
237	F	89.3	Confident	92.6	Very high	134 Å²	134	62 Å²	62	59%	0.588	34%	0.335	S	S	*	.	H	α-helix	trans	-61.3	-25.8	178.5	72.2	-104.5	0	0	0	113.5	P235 M240 W241	P235-F237 HydrophobicContact CB-CD1 3.82Å; P235-F237 HydrophobicContact CB-CE1 3.67Å; P235-F237 HydrophobicContact CG-CD1 3.85Å; P235-F237 HydrophobicContact CG-CE1 3.28Å; P235-F237 HydrophobicContact CG-CE2 4.49Å; P235-F237 HydrophobicContact CG-CZ 3.65Å; P235-F237 PolarHBondContact O-N 2.79Å; F237-M240 HydrophobicContact CB-CE 4.17Å; F237-M240 PolarHBondContact O-N 2.84Å; F237-W241 VanDerWaalsContact O-CB 3.25Å; F237-W241 WeakPolarHBondContact O-CB 3.39Å; F237-W241 PolarHBondContact O-N 3.5Å
238	R	93.1	Very high	92.7	Very high	115 Å²	115	60.1 Å²	60.1	43%	0.434	33%	0.326	S	S	.	.	H	α-helix	trans	-68.8	-37.5	175.7	-63.8	-175.6	69.1	-133	0	111.8	I232 G233 P235 A236 A242	I232-R238 HydrophobicContact CG2-CB 4.04Å; I232-R238 PolarHBondContact O-NH1 3.26Å; G233-R238 PolarHBondContact O-NH1 2.96Å; P235-R238 HydrophobicContact CG-CG 4.32Å; P235-R238 WeakPolarHBondContact O-CB 3.3Å; P235-R238 PolarHBondContact O-N 3.41Å; A236-R238 PolarHBondContact O-N 3.4Å; R238-A242 WeakPolarHBondContact O-CB 3.5Å; R238-A242 PolarHBondContact O-N 3.27Å; R238-A242 VanDerWaalsContact O-N 3.11Å
239	I	93.3	Very high	92.7	Very high	22 Å²	22	60 Å²	60	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-47.5	173.9	-60.9	174.4	0	0	0	109.5	F229 A236 W241 A242 V243	F229-I239 HydrophobicContact CB-CD1 4.22Å; F229-I239 HydrophobicContact CB-CG1 4.12Å; F229-I239 HydrophobicContact CB-CG2 4.1Å; F229-I239 HydrophobicContact CD2-CG2 3.72Å; F229-I239 HydrophobicContact CE2-CG2 4.33Å; F229-I239 HydrophobicContact CG-CG2 3.99Å; A236-I239 PolarHBondContact O-N 3.37Å; A236-I239 VanDerWaalsContact O-N 3.1Å; I239-W241 PolarHBondContact O-N 2.95Å; I239-A242 PolarHBondContact O-N 3.42Å; I239-V243 HydrophobicContact CG2-CG2 4.21Å; I239-V243 WeakPolarHBondContact O-CB 3.19Å; I239-V243 WeakPolarHBondContact O-CG2 3.5Å; I239-V243 PolarHBondContact O-N 2.89Å
240	M	92.3	Very high	92.8	Very high	51 Å²	51	63.5 Å²	63.5	25%	0.251	35%	0.348	S	S	.	.	H	α-helix	trans	-58.9	-44.5	178	-63.4	-171.2	-64.8	0	0	112.1	A193 M196 F201 A236 F237 A242 V243 H244	A193-M240 HydrophobicContact CB-CG 3.93Å; A193-M240 HydrophobicContact CB-SD 4.45Å; M196-M240 HydrophobicContact CE-SD 3.75Å; F201-M240 HydrophobicContact CB-SD 3.72Å; F201-M240 HydrophobicContact CD1-CB 4.22Å; F201-M240 HydrophobicContact CD1-CG 3.85Å; F201-M240 HydrophobicContact CD1-SD 4.05Å; F201-M240 HydrophobicContact CD2-CB 3.94Å; F201-M240 HydrophobicContact CD2-CG 4.33Å; F201-M240 HydrophobicContact CD2-SD 4.4Å; F201-M240 HydrophobicContact CE1-CB 4.08Å; F201-M240 HydrophobicContact CE1-CG 4.01Å; F201-M240 HydrophobicContact CE2-CB 3.82Å; F201-M240 HydrophobicContact CE2-CG 4.49Å; F201-M240 WeakPolarHBondContact CE2-O 3.31Å; F201-M240 HydrophobicContact CG-CB 4.15Å; F201-M240 HydrophobicContact CG-CG 4.01Å; F201-M240 HydrophobicContact CG-SD 3.83Å; F201-M240 HydrophobicContact CZ-CB 3.88Å; F201-M240 HydrophobicContact CZ-CG 4.33Å; F201-M240 WeakPolarHBondContact CZ-O 3.37Å; A236-M240 PolarHBondContact O-N 2.94Å; F237-M240 HydrophobicContact CB-CE 4.17Å; F237-M240 PolarHBondContact O-N 2.84Å; M240-A242 PolarHBondContact O-N 3.15Å; M240-V243 PolarHBondContact O-N 2.89Å; M240-H244 VanDerWaalsContact O-CB 3.29Å; M240-H244 WeakPolarHBondContact O-CB 3.49Å; M240-H244 PolarHBondContact O-N 3.38Å
241	W	93.1	Very high	93	Very high	173 Å²	173	63.2 Å²	63.2	66%	0.655	35%	0.346	S	S	*	.	H	α-helix	trans	-61.5	-41.9	175	-178.6	-104.9	0	0	0	113	F237 I239 N245	F237-W241 VanDerWaalsContact O-CB 3.25Å; F237-W241 WeakPolarHBondContact O-CB 3.39Å; F237-W241 PolarHBondContact O-N 3.5Å; I239-W241 PolarHBondContact O-N 2.95Å; W241-N245 VanDerWaalsContact CE2-ND2 3.26Å; W241-N245 PolarHBondContact NE1-ND2 2.69Å; W241-N245 VanDerWaalsContact NE1-ND2 3.2Å; W241-N245 WeakPolarHBondContact O-CB 3.45Å; W241-N245 PolarHBondContact O-N 2.71Å; W241-N245 VanDerWaalsContact O-N 3.14Å; W241-N245 PolarHBondContact O-ND2 2.87Å; W241-N245 VanDerWaalsContact O-ND2 3.15Å
242	A	95.7	Very high	93.3	Very high	13 Å²	13	58.5 Å²	58.5	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-47.1	175.9	0	0	0	0	0	111.7	I232 R238 I239 M240 H244 N245 G246 T247	I232-A242 HydrophobicContact CD1-CB 3.49Å; I232-A242 VanDerWaalsContact CD1-CB 3.49Å; R238-A242 WeakPolarHBondContact O-CB 3.5Å; R238-A242 PolarHBondContact O-N 3.27Å; R238-A242 VanDerWaalsContact O-N 3.11Å; I239-A242 PolarHBondContact O-N 3.42Å; M240-A242 PolarHBondContact O-N 3.15Å; A242-H244 PolarHBondContact O-N 3.44Å; A242-N245 CarbonylContact O-C 3.09Å; A242-N245 PolarHBondContact O-N 3.17Å; A242-N245 VanDerWaalsContact O-N 3.14Å; A242-G246 PolarHBondContact O-N 3.45Å; A242-T247 HydrophobicContact CB-CG2 4.29Å; A242-T247 VanDerWaalsContact O-CB 3.24Å; A242-T247 WeakPolarHBondContact O-CB 3.42Å; A242-T247 PolarHBondContact O-N 2.89Å; A242-T247 PolarHBondContact O-OG1 2.9Å; A242-T247 VanDerWaalsContact O-OG1 3.12Å
243	V	95.6	Very high	93.5	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-39.6	178.9	171.2	0	0	0	0	111.8	P198 F201 F213 F229 I239 M240 N245 G246 R248	P198-V243 HydrophobicContact CB-CG1 4.38Å; F201-V243 HydrophobicContact CE1-CB 4.38Å; F201-V243 HydrophobicContact CE1-CG1 4.08Å; F201-V243 HydrophobicContact CZ-CB 4Å; F201-V243 HydrophobicContact CZ-CG1 3.89Å; F213-V243 HydrophobicContact CZ-CG1 3.8Å; F229-V243 HydrophobicContact CE1-CG2 4.04Å; F229-V243 HydrophobicContact CE2-CG2 3.82Å; F229-V243 HydrophobicContact CZ-CG2 3.51Å; I239-V243 HydrophobicContact CG2-CG2 4.21Å; I239-V243 WeakPolarHBondContact O-CB 3.19Å; I239-V243 WeakPolarHBondContact O-CG2 3.5Å; I239-V243 PolarHBondContact O-N 2.89Å; M240-V243 PolarHBondContact O-N 2.89Å; V243-N245 VanDerWaalsContact C-N 3.32Å; V243-N245 PolarHBondContact O-N 2.85Å; V243-G246 PolarHBondContact O-N 3.17Å; V243-G246 VanDerWaalsContact O-N 3.15Å; V243-R248 PolarHBondContact O-NH1 3.05Å
244	H	93.6	Very high	94.1	Very high	70 Å²	70	69.9 Å²	69.9	32%	0.324	37%	0.37	S	S	.	.	H	α-helix	trans	-55.1	-47.2	171.1	173.3	-89	0	0	0	111.6	F201 E202 M240 A242 G246 K269	F201-H244 HydrophobicContact CE2-CB 4.15Å; E202-H244 IonicContact OE1-CD2 2.65Å; E202-H244 PolarHBondContact OE1-CD2 3.2Å; E202-H244 IonicContact OE1-NE2 2.68Å; M240-H244 VanDerWaalsContact O-CB 3.29Å; M240-H244 WeakPolarHBondContact O-CB 3.49Å; M240-H244 PolarHBondContact O-N 3.38Å; A242-H244 PolarHBondContact O-N 3.44Å; H244-G246 PolarHBondContact O-N 3.07Å; H244-K269 PolarHBondContact CD2-NZ 3.02Å; H244-K269 PolarHBondContact O-NZ 3.35Å
245	N	95.7	Very high	94.5	Very high	89 Å²	89	67.3 Å²	67.3	48%	0.476	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	9.3	-179.3	-64.9	-20.4	0	0	0	113.6	W241 A242 V243	W241-N245 VanDerWaalsContact CE2-ND2 3.26Å; W241-N245 PolarHBondContact NE1-ND2 2.69Å; W241-N245 VanDerWaalsContact NE1-ND2 3.2Å; W241-N245 WeakPolarHBondContact O-CB 3.45Å; W241-N245 PolarHBondContact O-N 2.71Å; W241-N245 VanDerWaalsContact O-N 3.14Å; W241-N245 PolarHBondContact O-ND2 2.87Å; W241-N245 VanDerWaalsContact O-ND2 3.15Å; A242-N245 CarbonylContact O-C 3.09Å; A242-N245 PolarHBondContact O-N 3.17Å; A242-N245 VanDerWaalsContact O-N 3.14Å; V243-N245 VanDerWaalsContact C-N 3.32Å; V243-N245 PolarHBondContact O-N 2.85Å
246	G	96.1	Very high	95	Very high	44 Å²	44	66.3 Å²	66.3	45%	0.454	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	2.9	173.1	0	0	0	0	0	115.6	A242 V243 H244 R248	A242-G246 PolarHBondContact O-N 3.45Å; V243-G246 PolarHBondContact O-N 3.17Å; V243-G246 VanDerWaalsContact O-N 3.15Å; H244-G246 PolarHBondContact O-N 3.07Å; G246-R248 PolarHBondContact O-N 3.19Å
247	T	97.5	Very high	95.5	Very high	58 Å²	58	71.7 Å²	71.7	36%	0.356	35%	0.354	S	S	.	.			trans	-61.7	137.2	172.7	-50.3	0	0	0	0	110.3	F229 I232 A242	F229-T247 HydrophobicContact CD1-CG2 4.49Å; F229-T247 HydrophobicContact CE1-CG2 4.23Å; I232-T247 HydrophobicContact CD1-CG2 4.32Å; A242-T247 HydrophobicContact CB-CG2 4.29Å; A242-T247 VanDerWaalsContact O-CB 3.24Å; A242-T247 WeakPolarHBondContact O-CB 3.42Å; A242-T247 PolarHBondContact O-N 2.89Å; A242-T247 PolarHBondContact O-OG1 2.9Å; A242-T247 VanDerWaalsContact O-OG1 3.12Å
248	R	97.8	Very high	95.9	Very high	39 Å²	39	69 Å²	69	15%	0.147	35%	0.35	C	S	.	.			trans	-138.4	160.2	177.9	-63.2	-62.5	-179.2	-92.9	3.6	108.9	V243 G246 W267	V243-R248 PolarHBondContact O-NH1 3.05Å; G246-R248 PolarHBondContact O-N 3.19Å; R248-W267 HydrophobicContact CB-CD2 4.31Å; R248-W267 HydrophobicContact CB-CZ2 4.21Å; R248-W267 HydrophobicContact CG-CD2 4.34Å; R248-W267 HydrophobicContact CG-CG 4.1Å; R248-W267 PolarHBondContact NE-O 3.13Å; R248-W267 PolarHBondContact NH2-O 3.37Å
249	P	97.3	Very high	96.1	Very high	4 Å²	4	63.7 Å²	63.7	3%	0.026	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-58	145.3	175.6	-22.4	34.8	0	0	0	111.4	I217 W220 P228 F229 W267	I217-P249 HydrophobicContact CD1-CG 3.8Å; W220-P249 HydrophobicContact CD2-CB 3.4Å; W220-P249 HydrophobicContact CD2-CG 4.17Å; W220-P249 HydrophobicContact CE3-CB 3.82Å; W220-P249 HydrophobicContact CE3-CG 4.28Å; W220-P249 HydrophobicContact CG-CB 3.82Å; W220-P249 HydrophobicContact CG-CG 4.45Å; W220-P249 HydrophobicContact CH2-CB 4.09Å; W220-P249 HydrophobicContact CZ2-CB 3.69Å; W220-P249 HydrophobicContact CZ3-CB 4.15Å; P228-P249 HydrophobicContact CB-CG 4.42Å; F229-P249 HydrophobicContact CE1-CG 4.29Å; F229-P249 HydrophobicContact CE2-CG 4.31Å; F229-P249 HydrophobicContact CZ-CG 3.98Å; P249-W267 HydrophobicContact CB-CZ3 4.42Å; P249-W267 HydrophobicContact CG-CZ3 4.22Å
250	P	97.2	Very high	96.4	Very high	76 Å²	76	64.4 Å²	64.4	49%	0.494	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-65.1	143.2	-172.1	24.5	-34.6	0	0	0	112.8	W220	W220-P250 HydrophobicContact CZ2-CG 4.01Å; W220-P250 PolarHBondContact NE1-O 3.14Å
251	L	97.2	Very high	96.7	Very high	108 Å²	108	64.8 Å²	64.8	57%	0.565	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-60.9	138.6	-179.9	-64.3	179.8	0	0	0	112.1	T264 W267	L251-T264 HydrophobicContact CD2-CG2 3.89Å; L251-W267 HydrophobicContact CD2-CZ2 4.31Å
252	I	97.7	Very high	96.9	Very high	23 Å²	23	56.7 Å²	56.7	12%	0.118	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-85.7	125.4	-171.7	-52.8	176.1	0	0	0	109.7	W220 I223 T224 L255 M263 I345	W220-I252 HydrophobicContact CG-CD1 4.3Å; I223-I252 HydrophobicContact CB-CD1 3.93Å; I223-I252 HydrophobicContact CG2-CD1 3.64Å; I223-I252 HydrophobicContact CG2-CG2 4.26Å; T224-I252 HydrophobicContact CG2-CD1 3.56Å; T224-I252 HydrophobicContact CG2-CG1 3.69Å; I252-L255 HydrophobicContact CB-CB 4.04Å; I252-L255 HydrophobicContact CB-CD2 4.21Å; I252-L255 HydrophobicContact CD1-CD2 4.31Å; I252-L255 HydrophobicContact CG2-CB 4.31Å; I252-L255 WeakPolarHBondContact O-CB 3.48Å; I252-L255 PolarHBondContact O-N 2.84Å; I252-M263 HydrophobicContact CD1-CE 4.39Å; I252-M263 HydrophobicContact CD1-SD 4.25Å; I252-I345 HydrophobicContact CG2-CD1 3.94Å
253	K	96.3	Very high	97.1	Very high	187 Å²	187	56 Å²	56	81%	0.813	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	139.6	177	-66.4	-177.4	-179.5	178.6	0	110.8	L255	K253-L255 PolarHBondContact O-N 3.12Å; K253-L255 VanDerWaalsContact O-N 3.15Å
254	N	95	Very high	97.2	Very high	114 Å²	114	58.2 Å²	58.2	61%	0.61	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	20.8	179.7	-57	18.8	0	0	0	114.8	E349	N254-E349 PolarHBondContact ND2-OE1 2.93Å
255	L	96.4	Very high	97.4	Very high	11 Å²	11	58.7 Å²	58.7	6%	0.058	32%	0.317	C	S	.	.			trans	-68.7	132.4	173.2	-173	69.2	0	0	0	111.1	I223 I252 K253 K257 I259 E260 M263 I345	I223-L255 HydrophobicContact CD1-CD1 4.02Å; I223-L255 HydrophobicContact CG2-CD1 4.2Å; I252-L255 HydrophobicContact CB-CB 4.04Å; I252-L255 HydrophobicContact CB-CD2 4.21Å; I252-L255 HydrophobicContact CD1-CD2 4.31Å; I252-L255 HydrophobicContact CG2-CB 4.31Å; I252-L255 WeakPolarHBondContact O-CB 3.48Å; I252-L255 PolarHBondContact O-N 2.84Å; K253-L255 PolarHBondContact O-N 3.12Å; K253-L255 VanDerWaalsContact O-N 3.15Å; L255-K257 PolarHBondContact O-N 3.35Å; L255-I259 HydrophobicContact CD1-CB 4.27Å; L255-I259 HydrophobicContact CD1-CG2 4.03Å; L255-I259 HydrophobicContact CD2-CG2 4.41Å; L255-I259 HydrophobicContact CG-CB 4.34Å; L255-I259 HydrophobicContact CG-CG2 4.44Å; L255-E260 HydrophobicContact CD2-CB 3.79Å; L255-E260 HydrophobicContact CD2-CG 4.25Å; L255-E260 HydrophobicContact CG-CB 4.34Å; L255-M263 HydrophobicContact CD2-CE 3.68Å; L255-M263 HydrophobicContact CD2-SD 4.4Å; L255-I345 HydrophobicContact CD1-CD1 4.37Å
256	P	97.3	Very high	97.6	Very high	40 Å²	40	54.4 Å²	54.4	26%	0.26	29%	0.294	S	S	.	.			trans	-59	128	174.4	-26.4	35.8	0	0	0	112.1	P258 I259 E260	P256-P258 VanDerWaalsContact C-N 3.33Å; P256-P258 VanDerWaalsContact O-N 3.14Å; P256-I259 HydrophobicContact CB-CD1 4.21Å; P256-I259 HydrophobicContact CB-CG1 4.44Å; P256-I259 HydrophobicContact CG-CD1 4.17Å; P256-I259 WeakPolarHBondContact O-CA 3.26Å; P256-I259 WeakPolarHBondContact O-CB 3.44Å; P256-I259 PolarHBondContact O-N 2.93Å; P256-E260 PolarHBondContact O-N 2.99Å; P256-E260 VanDerWaalsContact O-N 3.1Å
257	K	97.7	Very high	97.7	Very high	135 Å²	135	53.2 Å²	53.2	59%	0.587	28%	0.276	S	S	*	.	H	α-helix	trans	-54.4	-31.5	-174.4	-67.3	-57.4	-171.6	-174.9	0	116.4	L255 I259 E260 S261	L255-K257 PolarHBondContact O-N 3.35Å; K257-I259 VanDerWaalsContact C-N 3.31Å; K257-I259 PolarHBondContact O-N 2.88Å; K257-E260 HydrophobicContact CD-CB 4.41Å; K257-E260 VanDerWaalsContact CD-OE1 3.24Å; K257-E260 WeakPolarHBondContact CD-OE1 3.43Å; K257-E260 IonicContact NZ-OE1 2.64Å; K257-E260 PolarHBondContact NZ-OE1 3.23Å; K257-E260 IonicContact NZ-OE2 2.94Å; K257-E260 PolarHBondContact NZ-OE2 2.9Å; K257-E260 PolarHBondContact O-N 3.47Å; K257-S261 VanDerWaalsContact O-CB 3.24Å; K257-S261 WeakPolarHBondContact O-CB 3.5Å; K257-S261 PolarHBondContact O-N 3.49Å
258	P	97.5	Very high	97.7	Very high	77 Å²	77	51.8 Å²	51.8	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-36.8	171	-26.1	36.5	0	0	0	113.7	P256 L262 L287	P256-P258 VanDerWaalsContact C-N 3.33Å; P256-P258 VanDerWaalsContact O-N 3.14Å; P258-L262 WeakPolarHBondContact O-CB 3.45Å; P258-L262 PolarHBondContact O-N 2.86Å; P258-L262 VanDerWaalsContact O-N 3.1Å; P258-L287 HydrophobicContact CB-CD2 4.26Å
259	I	98.4	Very high	97.6	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-76	-43.5	178.6	-54.8	174	0	0	0	109.7	M131 L219 I223 L255 P256 K257 S261 L262 M263 L287 F291	M131-I259 HydrophobicContact CE-CD1 3.8Å; M131-I259 HydrophobicContact CE-CG1 4.07Å; M131-I259 HydrophobicContact SD-CD1 4.01Å; L219-I259 HydrophobicContact CD2-CG2 4.19Å; I223-I259 HydrophobicContact CD1-CG2 3.99Å; L255-I259 HydrophobicContact CD1-CB 4.27Å; L255-I259 HydrophobicContact CD1-CG2 4.03Å; L255-I259 HydrophobicContact CD2-CG2 4.41Å; L255-I259 HydrophobicContact CG-CB 4.34Å; L255-I259 HydrophobicContact CG-CG2 4.44Å; P256-I259 HydrophobicContact CB-CD1 4.21Å; P256-I259 HydrophobicContact CB-CG1 4.44Å; P256-I259 HydrophobicContact CG-CD1 4.17Å; P256-I259 WeakPolarHBondContact O-CA 3.26Å; P256-I259 WeakPolarHBondContact O-CB 3.44Å; P256-I259 PolarHBondContact O-N 2.93Å; K257-I259 VanDerWaalsContact C-N 3.31Å; K257-I259 PolarHBondContact O-N 2.88Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 2.94Å; I259-L262 PolarHBondContact O-N 3.35Å; I259-M263 VanDerWaalsContact O-CB 3.23Å; I259-M263 WeakPolarHBondContact O-CB 3.37Å; I259-M263 PolarHBondContact O-N 2.88Å; I259-L287 HydrophobicContact CG1-CD1 4.05Å; I259-F291 HydrophobicContact CD1-CE2 4.05Å; I259-F291 HydrophobicContact CD1-CZ 3.81Å
260	E	98.5	Very high	97.5	Very high	37 Å²	37	57.3 Å²	57.3	17%	0.173	30%	0.297	C	S	.	.	H	α-helix	trans	-57.4	-44.7	174.4	-167	-171.1	87.9	0	0	111.8	L255 P256 K257 T264	L255-E260 HydrophobicContact CD2-CB 3.79Å; L255-E260 HydrophobicContact CD2-CG 4.25Å; L255-E260 HydrophobicContact CG-CB 4.34Å; P256-E260 PolarHBondContact O-N 2.99Å; P256-E260 VanDerWaalsContact O-N 3.1Å; K257-E260 HydrophobicContact CD-CB 4.41Å; K257-E260 VanDerWaalsContact CD-OE1 3.24Å; K257-E260 WeakPolarHBondContact CD-OE1 3.43Å; K257-E260 IonicContact NZ-OE1 2.64Å; K257-E260 PolarHBondContact NZ-OE1 3.23Å; K257-E260 IonicContact NZ-OE2 2.94Å; K257-E260 PolarHBondContact NZ-OE2 2.9Å; K257-E260 PolarHBondContact O-N 3.47Å; E260-T264 WeakPolarHBondContact O-CB 3.5Å; E260-T264 VanDerWaalsContact O-CG2 3.31Å; E260-T264 WeakPolarHBondContact O-CG2 3.41Å; E260-T264 PolarHBondContact O-N 3.32Å; E260-T264 PolarHBondContact O-OG1 3.14Å
261	S	98.4	Very high	97.5	Very high	59 Å²	59	55.5 Å²	55.5	41%	0.413	29%	0.285	S	S	.	.	H	α-helix	trans	-63.4	-45.6	176.3	-179.9	0	0	0	0	112.2	K257 I259 T264 R265	K257-S261 VanDerWaalsContact O-CB 3.24Å; K257-S261 WeakPolarHBondContact O-CB 3.5Å; K257-S261 PolarHBondContact O-N 3.49Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 2.94Å; S261-T264 PolarHBondContact O-OG1 2.76Å; S261-R265 WeakPolarHBondContact O-CB 3.43Å; S261-R265 VanDerWaalsContact O-CG 3.22Å; S261-R265 WeakPolarHBondContact O-CG 3.37Å; S261-R265 PolarHBondContact O-N 2.85Å
262	L	98.7	Very high	97.5	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-49.7	177.4	-173.6	63.3	0	0	0	111.5	W215 P258 I259 T264 R265 C266 P275 I280 I283 M284	W215-L262 HydrophobicContact CH2-CD2 3.76Å; W215-L262 HydrophobicContact CH2-CG 4.36Å; W215-L262 HydrophobicContact CZ3-CD2 4.06Å; W215-L262 HydrophobicContact CZ3-CG 4.14Å; P258-L262 WeakPolarHBondContact O-CB 3.45Å; P258-L262 PolarHBondContact O-N 2.86Å; P258-L262 VanDerWaalsContact O-N 3.1Å; I259-L262 PolarHBondContact O-N 3.35Å; L262-T264 PolarHBondContact O-N 2.98Å; L262-R265 PolarHBondContact O-N 3.49Å; L262-C266 PolarHBondContact O-N 3.15Å; L262-C266 PolarHBondContact O-SG 3.13Å; L262-P275 HydrophobicContact CD1-CG 4.28Å; L262-I280 HydrophobicContact CD1-CG1 4.17Å; L262-I283 HydrophobicContact CD1-CD1 3.91Å; L262-I283 HydrophobicContact CD2-CB 4.41Å; L262-I283 HydrophobicContact CD2-CG2 3.93Å; L262-M284 HydrophobicContact CD2-CG 4.16Å; L262-M284 HydrophobicContact CD2-SD 3.95Å
263	M	98.7	Very high	97.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-48	178.9	-173.6	177.9	69	0	0	111.9	L219 W220 I252 L255 I259 C266 W267	L219-M263 HydrophobicContact CD2-CB 3.86Å; L219-M263 HydrophobicContact CD2-CG 4.24Å; W220-M263 HydrophobicContact CB-SD 3.71Å; W220-M263 HydrophobicContact CG-SD 4.27Å; I252-M263 HydrophobicContact CD1-CE 4.39Å; I252-M263 HydrophobicContact CD1-SD 4.25Å; L255-M263 HydrophobicContact CD2-CE 3.68Å; L255-M263 HydrophobicContact CD2-SD 4.4Å; I259-M263 VanDerWaalsContact O-CB 3.23Å; I259-M263 WeakPolarHBondContact O-CB 3.37Å; I259-M263 PolarHBondContact O-N 2.88Å; M263-C266 WeakPolarHBondContact O-CB 3.21Å; M263-C266 PolarHBondContact O-N 3.07Å; M263-W267 HydrophobicContact CE-CH2 3.75Å; M263-W267 HydrophobicContact CE-CZ2 4.33Å; M263-W267 HydrophobicContact CE-CZ3 4.37Å; M263-W267 HydrophobicContact CG-CE3 4.11Å; M263-W267 HydrophobicContact CG-CH2 3.95Å; M263-W267 HydrophobicContact CG-CZ3 3.67Å; M263-W267 PolarHBondContact O-N 2.72Å; M263-W267 HydrophobicContact SD-CH2 4.05Å; M263-W267 HydrophobicContact SD-CZ3 4.07Å
264	T	98.4	Very high	97.6	Very high	46 Å²	46	49.7 Å²	49.7	28%	0.282	27%	0.265	S	S	.	.	H	α-helix	trans	-71.1	-34.3	-178.5	51.6	0	0	0	0	113.4	L251 E260 S261 L262 W267	L251-T264 HydrophobicContact CD2-CG2 3.89Å; E260-T264 WeakPolarHBondContact O-CB 3.5Å; E260-T264 VanDerWaalsContact O-CG2 3.31Å; E260-T264 WeakPolarHBondContact O-CG2 3.41Å; E260-T264 PolarHBondContact O-N 3.32Å; E260-T264 PolarHBondContact O-OG1 3.14Å; S261-T264 PolarHBondContact O-OG1 2.76Å; L262-T264 PolarHBondContact O-N 2.98Å; T264-W267 HydrophobicContact CG2-CZ2 3.85Å
265	R	98.6	Very high	97.8	Very high	79 Å²	79	44.4 Å²	44.4	30%	0.298	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-40.8	170	-74.4	172.3	62.8	-147	-2.1	112	S261 L262 W267 S268 E279	S261-R265 WeakPolarHBondContact O-CB 3.43Å; S261-R265 VanDerWaalsContact O-CG 3.22Å; S261-R265 WeakPolarHBondContact O-CG 3.37Å; S261-R265 PolarHBondContact O-N 2.85Å; L262-R265 PolarHBondContact O-N 3.49Å; R265-W267 VanDerWaalsContact C-N 3.32Å; R265-W267 PolarHBondContact O-N 3.1Å; R265-S268 WeakPolarHBondContact O-CB 3.15Å; R265-S268 PolarHBondContact O-N 3.06Å; R265-S268 PolarHBondContact O-OG 2.84Å; R265-E279 IonicContact CZ-OE1 2.69Å; R265-E279 VanDerWaalsContact CZ-OE1 3.24Å; R265-E279 IonicContact CZ-OE2 3.24Å; R265-E279 IonicContact NH1-OE1 3.03Å; R265-E279 PolarHBondContact NH1-OE1 2.93Å; R265-E279 VanDerWaalsContact NH2-CD 3.31Å; R265-E279 IonicContact NH2-OE1 2.65Å; R265-E279 PolarHBondContact NH2-OE1 3.42Å; R265-E279 IonicContact NH2-OE2 2.87Å; R265-E279 PolarHBondContact NH2-OE2 3.39Å
266	C	98.7	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-38.4	-179.4	-69.9	0	0	0	0	112.8	V212 F213 L262 M263 S268 R274	V212-C266 HydrophobicContact CG1-CB 4.11Å; V212-C266 WeakPolarHBondContact O-CB 3.3Å; F213-C266 WeakPolarHBondContact CA-O 3.34Å; L262-C266 PolarHBondContact O-N 3.15Å; L262-C266 PolarHBondContact O-SG 3.13Å; M263-C266 WeakPolarHBondContact O-CB 3.21Å; M263-C266 PolarHBondContact O-N 3.07Å; C266-S268 PolarHBondContact O-N 3.34Å; C266-R274 WeakPolarHBondContact O-CD 3.33Å; C266-R274 WeakPolarHBondContact O-CG 3.46Å
267	W	97.9	Very high	97.9	Very high	19 Å²	19	44.2 Å²	44.2	7%	0.072	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	16.8	-179.6	66.2	40.6	0	0	0	115.6	F213 I217 W220 R248 P249 L251 M263 T264 R265	F213-W267 HydrophobicContact CD2-CB 4.01Å; F213-W267 HydrophobicContact CE2-CB 3.86Å; F213-W267 HydrophobicContact CZ-CB 4.44Å; I217-W267 HydrophobicContact CD1-CE3 4Å; W220-W267 HydrophobicContact CB-CZ3 3.98Å; W220-W267 HydrophobicContact CG-CZ3 4.24Å; R248-W267 HydrophobicContact CB-CD2 4.31Å; R248-W267 HydrophobicContact CB-CZ2 4.21Å; R248-W267 HydrophobicContact CG-CD2 4.34Å; R248-W267 HydrophobicContact CG-CG 4.1Å; R248-W267 PolarHBondContact NE-O 3.13Å; R248-W267 PolarHBondContact NH2-O 3.37Å; P249-W267 HydrophobicContact CB-CZ3 4.42Å; P249-W267 HydrophobicContact CG-CZ3 4.22Å; L251-W267 HydrophobicContact CD2-CZ2 4.31Å; M263-W267 HydrophobicContact CE-CH2 3.75Å; M263-W267 HydrophobicContact CE-CZ2 4.33Å; M263-W267 HydrophobicContact CE-CZ3 4.37Å; M263-W267 HydrophobicContact CG-CE3 4.11Å; M263-W267 HydrophobicContact CG-CH2 3.95Å; M263-W267 HydrophobicContact CG-CZ3 3.67Å; M263-W267 PolarHBondContact O-N 2.72Å; M263-W267 HydrophobicContact SD-CH2 4.05Å; M263-W267 HydrophobicContact SD-CZ3 4.07Å; T264-W267 HydrophobicContact CG2-CZ2 3.85Å; R265-W267 VanDerWaalsContact C-N 3.32Å; R265-W267 PolarHBondContact O-N 3.1Å
268	S	97.9	Very high	98	Very high	27 Å²	27	43.4 Å²	43.4	19%	0.189	24%	0.236	C	C	.	.			trans	-51.4	139.3	175.3	-61.1	0	0	0	0	111.8	R265 C266 D270 R274	R265-S268 WeakPolarHBondContact O-CB 3.15Å; R265-S268 PolarHBondContact O-N 3.06Å; R265-S268 PolarHBondContact O-OG 2.84Å; C266-S268 PolarHBondContact O-N 3.34Å; S268-D270 WeakPolarHBondContact CB-O 3.2Å; S268-R274 PolarHBondContact O-NE 2.69Å; S268-R274 PolarHBondContact O-NH2 2.91Å
269	K	95.2	Very high	98	Very high	89 Å²	89	42.6 Å²	42.6	39%	0.387	23%	0.226	S	C	.	.	S	Bend	trans	-61.9	-49.9	176.2	-178	160.6	-176.1	157.8	0	110.4	P198 E202 H244 P271 R274	P198-K269 HydrophobicContact CG-CG 4.47Å; E202-K269 VanDerWaalsContact OE1-CE 3.3Å; E202-K269 WeakPolarHBondContact OE1-CE 3.46Å; E202-K269 IonicContact OE1-NZ 2.76Å; E202-K269 PolarHBondContact OE1-NZ 3.08Å; H244-K269 PolarHBondContact CD2-NZ 3.02Å; H244-K269 PolarHBondContact O-NZ 3.35Å; K269-P271 WeakPolarHBondContact O-CD 3.48Å; K269-R274 PolarHBondContact O-NH2 3.17Å; K269-R274 VanDerWaalsContact O-NH2 3.1Å
270	D	96	Very high	98.1	Very high	71 Å²	71	42.4 Å²	42.4	38%	0.38	23%	0.225	S	C	.	.	S	Bend	trans	-65.9	118.6	169.7	174.2	5.8	0	0	0	111	S268 S272 Q273	S268-D270 WeakPolarHBondContact CB-O 3.2Å; D270-S272 PolarHBondContact O-N 3.13Å; D270-S272 VanDerWaalsContact OD1-CB 3.25Å; D270-S272 WeakPolarHBondContact OD1-CB 3.39Å; D270-S272 PolarHBondContact OD1-N 3.19Å; D270-S272 PolarHBondContact OD1-OG 3.43Å; D270-S272 PolarHBondContact OD2-OG 3.06Å; D270-Q273 HydrophobicContact CB-CG 4.01Å; D270-Q273 PolarHBondContact O-N 3.03Å; D270-Q273 WeakPolarHBondContact OD2-CG 3.38Å; D270-Q273 PolarHBondContact OD2-NE2 3.36Å
271	P	96.8	Very high	98.1	Very high	38 Å²	38	41.9 Å²	41.9	25%	0.247	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.8	177	-19.5	32.6	0	0	0	114.4	E199 K209 K269 R274	E199-P271 HydrophobicContact CG-CG 4.18Å; K209-P271 HydrophobicContact CB-CB 3.8Å; K209-P271 HydrophobicContact CG-CB 4.33Å; K209-P271 WeakPolarHBondContact CG-O 3.41Å; K209-P271 PolarHBondContact NZ-O 2.94Å; K269-P271 WeakPolarHBondContact O-CD 3.48Å; P271-R274 WeakPolarHBondContact O-CB 3.23Å; P271-R274 PolarHBondContact O-N 2.82Å
272	S	97	Very high	98.1	Very high	77 Å²	77	44.2 Å²	44.2	54%	0.538	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-34.4	179.4	80.7	0	0	0	0	112.4	D270 R274	D270-S272 PolarHBondContact O-N 3.13Å; D270-S272 VanDerWaalsContact OD1-CB 3.25Å; D270-S272 WeakPolarHBondContact OD1-CB 3.39Å; D270-S272 PolarHBondContact OD1-N 3.19Å; D270-S272 PolarHBondContact OD1-OG 3.43Å; D270-S272 PolarHBondContact OD2-OG 3.06Å; S272-R274 VanDerWaalsContact C-N 3.26Å; S272-R274 PolarHBondContact O-N 3.21Å
273	Q	98	Very high	98.1	Very high	115 Å²	115	46.4 Å²	46.4	54%	0.537	24%	0.238	S	C	.	.	S	Bend	trans	-72.4	-17.3	177.1	-51.9	-50.9	-47.6	0	0	113.7	D270	D270-Q273 HydrophobicContact CB-CG 4.01Å; D270-Q273 PolarHBondContact O-N 3.03Å; D270-Q273 WeakPolarHBondContact OD2-CG 3.38Å; D270-Q273 PolarHBondContact OD2-NE2 3.36Å
274	R	98.6	Very high	98.1	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.011	24%	0.238	C	C	.	.	S	Bend	trans	-70.3	137.5	177.9	-55.4	-178.8	-166	152.2	12	109.5	E199 K209 V212 C266 S268 K269 P271 S272	E199-R274 IonicContact OE1-CZ 3.18Å; E199-R274 IonicContact OE1-NH1 3.03Å; E199-R274 PolarHBondContact OE1-NH1 2.78Å; E199-R274 IonicContact OE1-NH2 2.65Å; E199-R274 IonicContact OE2-CZ 3.73Å; E199-R274 IonicContact OE2-NH1 2.65Å; E199-R274 PolarHBondContact OE2-NH1 3.25Å; E199-R274 IonicContact OE2-NH2 2.93Å; E199-R274 PolarHBondContact OE2-NH2 3.15Å; K209-R274 HydrophobicContact CD-CB 4.34Å; K209-R274 PolarHBondContact NZ-O 3.48Å; K209-R274 WeakPolarHBondContact O-CD 3.45Å; K209-R274 PolarHBondContact O-NH1 3.21Å; V212-R274 HydrophobicContact CB-CB 4.43Å; V212-R274 HydrophobicContact CG1-CB 3.83Å; C266-R274 WeakPolarHBondContact O-CD 3.33Å; C266-R274 WeakPolarHBondContact O-CG 3.46Å; S268-R274 PolarHBondContact O-NE 2.69Å; S268-R274 PolarHBondContact O-NH2 2.91Å; K269-R274 PolarHBondContact O-NH2 3.17Å; K269-R274 VanDerWaalsContact O-NH2 3.1Å; P271-R274 WeakPolarHBondContact O-CB 3.23Å; P271-R274 PolarHBondContact O-N 2.82Å; S272-R274 VanDerWaalsContact C-N 3.26Å; S272-R274 PolarHBondContact O-N 3.21Å
275	P	98.7	Very high	98.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.019	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-59.4	165.5	175.5	27.5	-36.4	0	0	0	111.8	V212 L262 E279 I280	V212-P275 HydrophobicContact CG1-CG 4.06Å; L262-P275 HydrophobicContact CD1-CG 4.28Å; P275-E279 WeakPolarHBondContact CA-OE2 3.38Å; P275-E279 HydrophobicContact CB-CB 4.14Å; P275-E279 HydrophobicContact CB-CG 4.42Å; P275-E279 WeakPolarHBondContact CB-OE2 3.36Å; P275-I280 HydrophobicContact CB-CG1 4.17Å; P275-I280 HydrophobicContact CG-CD1 3.94Å; P275-I280 HydrophobicContact CG-CG1 3.8Å
276	S	98.6	Very high	98.1	Very high	46 Å²	46	48.4 Å²	48.4	32%	0.322	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-78.3	157.8	162.9	71.2	0	0	0	0	110.3	E278 E279 I280	S276-E278 PolarHBondContact O-N 2.8Å; S276-E279 WeakPolarHBondContact O-CB 3.46Å; S276-E279 PolarHBondContact O-N 3.17Å; S276-E279 VanDerWaalsContact O-N 3.09Å; S276-E279 PolarHBondContact OG-N 3.38Å; S276-E279 VanDerWaalsContact OG-N 3.08Å; S276-I280 PolarHBondContact O-N 3.45Å
277	M	98.7	Very high	98	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-31	171.6	-84.7	-72.8	163.9	0	0	112.6	V141 A142 V212 W215 I280 V281	V141-M277 HydrophobicContact CB-CE 4.39Å; V141-M277 HydrophobicContact CB-CG 4.11Å; V141-M277 HydrophobicContact CB-SD 3.97Å; V141-M277 HydrophobicContact CG1-CE 4.19Å; V141-M277 HydrophobicContact CG1-CG 3.72Å; V141-M277 HydrophobicContact CG1-SD 4.1Å; A142-M277 HydrophobicContact CB-CB 3.9Å; V212-M277 HydrophobicContact CB-CE 4.42Å; V212-M277 HydrophobicContact CG2-CE 4.02Å; V212-M277 HydrophobicContact CG2-CG 4.12Å; W215-M277 HydrophobicContact CB-CE 3.52Å; W215-M277 HydrophobicContact CD2-CE 4.45Å; W215-M277 HydrophobicContact CG-CE 3.74Å; M277-I280 HydrophobicContact CE-CD1 3.79Å; M277-I280 PolarHBondContact O-N 2.89Å; M277-I280 HydrophobicContact SD-CD1 3.86Å; M277-V281 VanDerWaalsContact O-CG2 3.3Å; M277-V281 WeakPolarHBondContact O-CG2 3.44Å; M277-V281 PolarHBondContact O-N 3.39Å
278	E	98.5	Very high	98.1	Very high	117 Å²	117	50.4 Å²	50.4	55%	0.547	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-38.3	172.8	-158.4	-148.4	176.6	0	0	112.3	S276 K282	S276-E278 PolarHBondContact O-N 2.8Å; E278-K282 WeakPolarHBondContact O-CD 3.33Å; E278-K282 VanDerWaalsContact O-CG 3.25Å; E278-K282 WeakPolarHBondContact O-CG 3.13Å; E278-K282 PolarHBondContact O-N 3.06Å; E278-K282 VanDerWaalsContact O-N 3.08Å; E278-K282 WeakPolarHBondContact OE1-CE 3.43Å; E278-K282 IonicContact OE1-NZ 3.21Å; E278-K282 PolarHBondContact OE1-NZ 3.3Å; E278-K282 IonicContact OE2-NZ 2.66Å; E278-K282 PolarHBondContact OE2-NZ 3.28Å
279	E	98.7	Very high	98.1	Very high	60 Å²	60	57.5 Å²	57.5	28%	0.28	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-43.6	173.4	-164.6	-159.3	143.9	0	0	111.1	R265 P275 S276 K282 I283	R265-E279 IonicContact CZ-OE1 2.69Å; R265-E279 VanDerWaalsContact CZ-OE1 3.24Å; R265-E279 IonicContact CZ-OE2 3.24Å; R265-E279 IonicContact NH1-OE1 3.03Å; R265-E279 PolarHBondContact NH1-OE1 2.93Å; R265-E279 VanDerWaalsContact NH2-CD 3.31Å; R265-E279 IonicContact NH2-OE1 2.65Å; R265-E279 PolarHBondContact NH2-OE1 3.42Å; R265-E279 IonicContact NH2-OE2 2.87Å; R265-E279 PolarHBondContact NH2-OE2 3.39Å; P275-E279 WeakPolarHBondContact CA-OE2 3.38Å; P275-E279 HydrophobicContact CB-CB 4.14Å; P275-E279 HydrophobicContact CB-CG 4.42Å; P275-E279 WeakPolarHBondContact CB-OE2 3.36Å; S276-E279 WeakPolarHBondContact O-CB 3.46Å; S276-E279 PolarHBondContact O-N 3.17Å; S276-E279 VanDerWaalsContact O-N 3.09Å; S276-E279 PolarHBondContact OG-N 3.38Å; S276-E279 VanDerWaalsContact OG-N 3.08Å; E279-K282 PolarHBondContact O-N 3.4Å; E279-I283 HydrophobicContact CG-CD1 3.94Å; E279-I283 WeakPolarHBondContact O-CG1 3.41Å; E279-I283 PolarHBondContact O-N 3.1Å; E279-I283 WeakPolarHBondContact OE1-CD1 3.46Å
280	I	98.9	Very high	98.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-51	175.7	-67.7	165.6	0	0	0	110.5	V212 W215 L262 P275 S276 M277 K282 I283 M284	V212-I280 HydrophobicContact CG1-CD1 3.94Å; V212-I280 HydrophobicContact CG2-CD1 4.5Å; W215-I280 HydrophobicContact CD2-CD1 4.36Å; W215-I280 HydrophobicContact CD2-CG2 4.16Å; W215-I280 HydrophobicContact CE3-CD1 4.01Å; W215-I280 HydrophobicContact CE3-CG2 4.18Å; W215-I280 HydrophobicContact CH2-CG2 3.44Å; W215-I280 VanDerWaalsContact CH2-CG2 3.44Å; W215-I280 HydrophobicContact CZ2-CG2 3.36Å; W215-I280 HydrophobicContact CZ3-CD1 4.33Å; W215-I280 HydrophobicContact CZ3-CG1 4.43Å; W215-I280 HydrophobicContact CZ3-CG2 3.86Å; L262-I280 HydrophobicContact CD1-CG1 4.17Å; P275-I280 HydrophobicContact CB-CG1 4.17Å; P275-I280 HydrophobicContact CG-CD1 3.94Å; P275-I280 HydrophobicContact CG-CG1 3.8Å; S276-I280 PolarHBondContact O-N 3.45Å; M277-I280 HydrophobicContact CE-CD1 3.79Å; M277-I280 PolarHBondContact O-N 2.89Å; M277-I280 HydrophobicContact SD-CD1 3.86Å; I280-K282 VanDerWaalsContact C-N 3.3Å; I280-K282 PolarHBondContact O-N 3.38Å; I280-I283 PolarHBondContact O-N 3.4Å; I280-M284 HydrophobicContact CG2-CG 3.92Å; I280-M284 VanDerWaalsContact O-CB 3.3Å; I280-M284 WeakPolarHBondContact O-CB 3.17Å; I280-M284 VanDerWaalsContact O-CG 3.27Å; I280-M284 WeakPolarHBondContact O-CG 3.34Å; I280-M284 PolarHBondContact O-N 3.01Å
281	V	98.8	Very high	98.3	Very high	27 Å²	27	58 Å²	58	16%	0.164	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-45	178	170	0	0	0	0	110.8	L135 S138 Q139 A142 M277 T285	L135-V281 HydrophobicContact CD1-CG1 4.42Å; S138-V281 VanDerWaalsContact C-CG2 3.4Å; S138-V281 WeakPolarHBondContact O-CG2 3.41Å; S138-V281 WeakPolarHBondContact OG-CG2 3.34Å; Q139-V281 HydrophobicContact CB-CG2 4.45Å; Q139-V281 HydrophobicContact CG-CG1 3.93Å; Q139-V281 HydrophobicContact CG-CG2 3.91Å; A142-V281 HydrophobicContact CB-CG2 3.95Å; M277-V281 VanDerWaalsContact O-CG2 3.3Å; M277-V281 WeakPolarHBondContact O-CG2 3.44Å; M277-V281 PolarHBondContact O-N 3.39Å; V281-T285 WeakPolarHBondContact O-CB 3.49Å; V281-T285 PolarHBondContact O-N 3.32Å; V281-T285 PolarHBondContact O-OG1 3.17Å
282	K	98.7	Very high	98.3	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-48.1	177.3	-73.8	165.9	-174.4	169.1	0	111.8	E278 E279 I280 H286	E278-K282 WeakPolarHBondContact O-CD 3.33Å; E278-K282 VanDerWaalsContact O-CG 3.25Å; E278-K282 WeakPolarHBondContact O-CG 3.13Å; E278-K282 PolarHBondContact O-N 3.06Å; E278-K282 VanDerWaalsContact O-N 3.08Å; E278-K282 WeakPolarHBondContact OE1-CE 3.43Å; E278-K282 IonicContact OE1-NZ 3.21Å; E278-K282 PolarHBondContact OE1-NZ 3.3Å; E278-K282 IonicContact OE2-NZ 2.66Å; E278-K282 PolarHBondContact OE2-NZ 3.28Å; E279-K282 PolarHBondContact O-N 3.4Å; I280-K282 VanDerWaalsContact C-N 3.3Å; I280-K282 PolarHBondContact O-N 3.38Å; K282-H286 PolarHBondContact O-N 3.22Å; K282-H286 PolarHBondContact O-ND1 3.34Å
283	I	98.7	Very high	98.3	Very high	49 Å²	49	58.9 Å²	58.9	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-66.5	-48.8	-179.3	-67.1	168.4	0	0	0	110.9	L262 E279 I280 T285 H286 L287	L262-I283 HydrophobicContact CD1-CD1 3.91Å; L262-I283 HydrophobicContact CD2-CB 4.41Å; L262-I283 HydrophobicContact CD2-CG2 3.93Å; E279-I283 HydrophobicContact CG-CD1 3.94Å; E279-I283 WeakPolarHBondContact O-CG1 3.41Å; E279-I283 PolarHBondContact O-N 3.1Å; E279-I283 WeakPolarHBondContact OE1-CD1 3.46Å; I280-I283 PolarHBondContact O-N 3.4Å; I283-T285 PolarHBondContact O-N 2.96Å; I283-H286 WeakPolarHBondContact O-CB 3.46Å; I283-H286 PolarHBondContact O-N 2.82Å; I283-H286 VanDerWaalsContact O-N 3.12Å; I283-L287 HydrophobicContact CG2-CD1 3.85Å; I283-L287 HydrophobicContact CG2-CG 4.32Å; I283-L287 WeakPolarHBondContact O-CG 3.36Å; I283-L287 PolarHBondContact O-N 2.82Å
284	M	98.7	Very high	98.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-42.4	-179.6	-69.7	-65.9	-69.9	0	0	111.7	M131 C134 L135 W215 L262 I280 H286 L287 M288	M131-M284 HydrophobicContact CB-CE 4.3Å; M131-M284 HydrophobicContact CE-CE 3.54Å; M131-M284 HydrophobicContact CE-SD 3.61Å; M131-M284 WeakPolarHBondContact O-CE 3.47Å; M131-M284 HydrophobicContact SD-CE 3.99Å; C134-M284 HydrophobicContact CB-CE 3.66Å; L135-M284 HydrophobicContact CB-CB 4.1Å; L135-M284 HydrophobicContact CB-CE 4.46Å; L135-M284 HydrophobicContact CD1-CB 3.75Å; L135-M284 HydrophobicContact CG-CB 4.42Å; W215-M284 HydrophobicContact CH2-CE 4.4Å; W215-M284 HydrophobicContact CH2-CG 3.95Å; W215-M284 HydrophobicContact CH2-SD 3.83Å; W215-M284 HydrophobicContact CZ2-CE 4.1Å; W215-M284 HydrophobicContact CZ2-CG 3.88Å; W215-M284 HydrophobicContact CZ2-SD 4.03Å; L262-M284 HydrophobicContact CD2-CG 4.16Å; L262-M284 HydrophobicContact CD2-SD 3.95Å; I280-M284 HydrophobicContact CG2-CG 3.92Å; I280-M284 VanDerWaalsContact O-CB 3.3Å; I280-M284 WeakPolarHBondContact O-CB 3.17Å; I280-M284 VanDerWaalsContact O-CG 3.27Å; I280-M284 WeakPolarHBondContact O-CG 3.34Å; I280-M284 PolarHBondContact O-N 3.01Å; M284-H286 VanDerWaalsContact C-N 3.27Å; M284-H286 PolarHBondContact O-N 2.94Å; M284-L287 PolarHBondContact O-N 3.39Å; M284-L287 VanDerWaalsContact O-N 3.1Å; M284-L287 HydrophobicContact SD-CD1 4.26Å; M284-M288 WeakPolarHBondContact O-CG 3.48Å; M284-M288 PolarHBondContact O-N 3.17Å
285	T	98.6	Very high	98.2	Very high	64 Å²	64	59.7 Å²	59.7	39%	0.393	30%	0.3	S	S	.	.	H	α-helix	trans	-59.7	-36.2	174.7	-57.9	0	0	0	0	112.1	L135 V281 I283	L135-T285 WeakPolarHBondContact CD1-OG1 3.4Å; V281-T285 WeakPolarHBondContact O-CB 3.49Å; V281-T285 PolarHBondContact O-N 3.32Å; V281-T285 PolarHBondContact O-OG1 3.17Å; I283-T285 PolarHBondContact O-N 2.96Å
286	H	98.1	Very high	98.1	Very high	102 Å²	102	64.8 Å²	64.8	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-72.4	-37.8	174.5	-78.6	76.2	0	0	0	112.5	K282 I283 M284 R289	K282-H286 PolarHBondContact O-N 3.22Å; K282-H286 PolarHBondContact O-ND1 3.34Å; I283-H286 WeakPolarHBondContact O-CB 3.46Å; I283-H286 PolarHBondContact O-N 2.82Å; I283-H286 VanDerWaalsContact O-N 3.12Å; M284-H286 VanDerWaalsContact C-N 3.27Å; M284-H286 PolarHBondContact O-N 2.94Å; H286-R289 PolarHBondContact CD2-NH1 3.15Å; H286-R289 VanDerWaalsContact CD2-NH1 3.33Å; H286-R289 PolarHBondContact CD2-NH2 3.38Å; H286-R289 PolarHBondContact NE2-NH2 3.46Å; H286-R289 WeakPolarHBondContact O-CG 3.39Å
287	L	98.2	Very high	98.1	Very high	23 Å²	23	66 Å²	66	12%	0.12	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-34.1	177.9	-71.7	171.5	0	0	0	112.9	M131 P258 I259 I283 M284 R289 Y290 F291	M131-L287 HydrophobicContact CE-CB 4.12Å; M131-L287 HydrophobicContact CE-CD1 3.88Å; P258-L287 HydrophobicContact CB-CD2 4.26Å; I259-L287 HydrophobicContact CG1-CD1 4.05Å; I283-L287 HydrophobicContact CG2-CD1 3.85Å; I283-L287 HydrophobicContact CG2-CG 4.32Å; I283-L287 WeakPolarHBondContact O-CG 3.36Å; I283-L287 PolarHBondContact O-N 2.82Å; M284-L287 PolarHBondContact O-N 3.39Å; M284-L287 VanDerWaalsContact O-N 3.1Å; M284-L287 HydrophobicContact SD-CD1 4.26Å; L287-R289 PolarHBondContact O-N 3.03Å; L287-Y290 WeakPolarHBondContact O-CD2 3.31Å; L287-Y290 PolarHBondContact O-N 3.44Å; L287-F291 VanDerWaalsContact O-CD2 3.31Å; L287-F291 WeakPolarHBondContact O-CD2 3.23Å
288	M	98.2	Very high	97.9	Very high	38 Å²	38	66.8 Å²	66.8	19%	0.187	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-57	-20.5	179.6	-72.3	-52.4	-65.3	0	0	114.2	M131 L135 M284 Y290 F291 A294	M131-M288 HydrophobicContact CB-SD 3.59Å; M131-M288 VanDerWaalsContact CB-SD 3.59Å; L135-M288 HydrophobicContact CD2-CG 3.65Å; M284-M288 WeakPolarHBondContact O-CG 3.48Å; M284-M288 PolarHBondContact O-N 3.17Å; M288-Y290 PolarHBondContact O-N 2.73Å; M288-Y290 VanDerWaalsContact O-N 3.1Å; M288-F291 HydrophobicContact CE-CB 4.15Å; M288-F291 WeakPolarHBondContact CE-O 3.43Å; M288-F291 CarbonylContact O-C 3.5Å; M288-F291 PolarHBondContact O-N 2.9Å; M288-F291 HydrophobicContact SD-CB 4.22Å; M288-A294 HydrophobicContact CE-CB 3.91Å
289	R	97.8	Very high	97.4	Very high	177 Å²	177	67.8 Å²	67.8	67%	0.668	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-58.2	-21	171.2	-61.8	179.9	-174.2	151.9	9	113.7	H286 L287	H286-R289 PolarHBondContact CD2-NH1 3.15Å; H286-R289 VanDerWaalsContact CD2-NH1 3.33Å; H286-R289 PolarHBondContact CD2-NH2 3.38Å; H286-R289 PolarHBondContact NE2-NH2 3.46Å; H286-R289 WeakPolarHBondContact O-CG 3.39Å; L287-R289 PolarHBondContact O-N 3.03Å
290	Y	97.8	Very high	96.7	Very high	149 Å²	149	71 Å²	71	58%	0.584	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-101.7	-0.5	176.8	-53.1	-75.3	0	0	0	113.2	L287 M288 P292	L287-Y290 WeakPolarHBondContact O-CD2 3.31Å; L287-Y290 PolarHBondContact O-N 3.44Å; M288-Y290 PolarHBondContact O-N 2.73Å; M288-Y290 VanDerWaalsContact O-N 3.1Å; Y290-P292 VanDerWaalsContact C-CD 3.46Å
291	F	97.6	Very high	96	Very high	20 Å²	20	74.4 Å²	74.4	9%	0.088	37%	0.372	C	S	.	.			trans	-128.5	65.1	-175.1	-65.2	-73.1	0	0	0	112.3	A127 A128 M131 I259 L287 M288 L348	A127-F291 HydrophobicContact CB-CD1 4.1Å; A127-F291 HydrophobicContact CB-CE1 3.96Å; A128-F291 HydrophobicContact CB-CB 3.99Å; A128-F291 WeakPolarHBondContact CB-O 3.39Å; M131-F291 HydrophobicContact CB-CD2 4.28Å; M131-F291 HydrophobicContact CB-CG 4.36Å; M131-F291 HydrophobicContact CE-CD2 4.35Å; M131-F291 HydrophobicContact CE-CE2 3.93Å; M131-F291 HydrophobicContact CG-CD1 4.24Å; M131-F291 HydrophobicContact CG-CD2 3.91Å; M131-F291 HydrophobicContact CG-CE1 4.22Å; M131-F291 HydrophobicContact CG-CE2 3.91Å; M131-F291 HydrophobicContact CG-CG 4.1Å; M131-F291 HydrophobicContact CG-CZ 4.07Å; M131-F291 HydrophobicContact SD-CE2 4.48Å; I259-F291 HydrophobicContact CD1-CE2 4.05Å; I259-F291 HydrophobicContact CD1-CZ 3.81Å; L287-F291 VanDerWaalsContact O-CD2 3.31Å; L287-F291 WeakPolarHBondContact O-CD2 3.23Å; M288-F291 HydrophobicContact CE-CB 4.15Å; M288-F291 WeakPolarHBondContact CE-O 3.43Å; M288-F291 CarbonylContact O-C 3.5Å; M288-F291 PolarHBondContact O-N 2.9Å; M288-F291 HydrophobicContact SD-CB 4.22Å; F291-L348 HydrophobicContact CE1-CD2 4.33Å
292	P	97.4	Very high	94	Very high	110 Å²	110	78 Å²	78	71%	0.714	40%	0.396	S	S	*	.			trans	-73	159.5	173.5	33.2	-36.7	0	0	0	112.2	A128 Y290	A128-P292 WeakPolarHBondContact CB-O 3.49Å; Y290-P292 VanDerWaalsContact C-CD 3.46Å
293	G	97	Very high	91.8	Very high	24 Å²	24	79.3 Å²	79.3	25%	0.247	40%	0.404	C	S	.	.			trans	77.4	51.4	-178.5	0	0	0	0	0	112.4	A128 D295	A128-G293 WeakPolarHBondContact CB-O 3.3Å; G293-D295 WeakPolarHBondContact CA-OD1 3.48Å
294	A	97.5	Very high	89.1	Confident	12 Å²	12	87.1 Å²	87.1	10%	0.099	43%	0.432	C	S	.	.			trans	-107.6	-6	173.6	0	0	0	0	0	112.7	A128 M288	A128-A294 HydrophobicContact CB-CB 4.03Å; A128-A294 WeakPolarHBondContact O-CB 3.32Å; M288-A294 HydrophobicContact CE-CB 3.91Å
295	D	97.4	Very high	86.5	Confident	124 Å²	124	91.9 Å²	91.9	66%	0.663	47%	0.466	S	S	*	.	S	Bend	trans	-103.1	-6.9	-177.9	47.5	-41.5	0	0	0	112.1	G293	G293-D295 WeakPolarHBondContact CA-OD1 3.48Å
296	E	97.5	Very high	83.7	Confident	110 Å²	110	96.6 Å²	96.6	51%	0.514	49%	0.488	S	S	.	.	S	Bend	trans	-70.5	129.1	166.3	-66.9	-68.2	161.7	0	0	110.1	H129 T169	H129-E296 PolarHBondContact NE2-O 3.21Å; T169-E296 WeakPolarHBondContact CG2-O 3.47Å
297	P	97.4	Very high	81.2	Confident	72 Å²	72	100.4 Å²	100.4	47%	0.468	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-62.8	151	175.4	-25.3	35.7	0	0	0	114	Q299	P297-Q299 PolarHBondContact O-N 3.34Å
298	L	95.6	Very high	78.3	Confident	18 Å²	18	102.1 Å²	102.1	9%	0.094	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-62.2	131.4	175.8	-73.2	179.8	0	0	0	111.8	V115 P123 Y124 H129 W133 G167	V115-L298 HydrophobicContact CG1-CD1 3.79Å; V115-L298 HydrophobicContact CG2-CD1 4.2Å; P123-L298 HydrophobicContact CB-CB 4.28Å; P123-L298 HydrophobicContact CG-CD1 4.36Å; Y124-L298 WeakPolarHBondContact O-CD2 3.38Å; H129-L298 VanDerWaalsContact CD2-CD2 3.44Å; H129-L298 WeakPolarHBondContact CD2-CD2 3.45Å; W133-L298 HydrophobicContact CH2-CD2 4.19Å; W133-L298 HydrophobicContact CZ2-CD1 4.08Å; W133-L298 HydrophobicContact CZ2-CD2 3.99Å; W133-L298 HydrophobicContact CZ2-CG 4.39Å; G167-L298 PolarHBondContact O-N 3.36Å
299	Q	87.5	Confident	75.5	Confident	137 Å²	137	109.7 Å²	109.7	64%	0.64	56%	0.564	S	S	*	*	B	Isolated β-bridge	trans	-104	119.5	-180	-62.1	-177.3	10.2	0	0	110.3	Y124 P297	Y124-Q299 PolarHBondContact N-O 2.85Å; P297-Q299 PolarHBondContact O-N 3.34Å
300	Y	83.4	Confident	73	Confident	127 Å²	127	106.2 Å²	106.2	50%	0.498	57%	0.567	S	S	.	*			trans	-86.8	134.3	172	-66.3	-97.4	0	0	0	109.3	P123 C302	P123-Y300 HydrophobicContact CB-CD1 3.87Å; P123-Y300 HydrophobicContact CB-CD2 4.3Å; P123-Y300 HydrophobicContact CB-CE1 3.76Å; P123-Y300 HydrophobicContact CB-CE2 4.19Å; P123-Y300 HydrophobicContact CB-CG 4.14Å; P123-Y300 HydrophobicContact CG-CD1 4.34Å; P123-Y300 HydrophobicContact CG-CE1 3.8Å; Y300-C302 PolarHBondContact O-N 3.03Å
301	P	83.3	Confident	70.1	Confident	73 Å²	73	106.9 Å²	106.9	47%	0.474	58%	0.581	S	S	.	*			trans	-68.8	122.3	177.8	27.7	-32.2	0	0	0	110	P121 L122 Q303	P121-P301 HydrophobicContact CB-CG 3.89Å; L122-P301 WeakPolarHBondContact O-CD 3.49Å; P301-Q303 PolarHBondContact O-N 2.68Å; P301-Q303 VanDerWaalsContact O-N 3.16Å
302	C	58.1	Low	67.5	Low	101 Å²	101	111.8 Å²	111.8	68%	0.682	62%	0.618	S	S	*	*			trans	-70.5	110	179.2	-173.7	0	0	0	0	110.4	Y300 Y304	Y300-C302 PolarHBondContact O-N 3.03Å; C302-Y304 PolarHBondContact O-N 2.84Å
303	Q	51.8	Low	64.8	Low	136 Å²	136	111.1 Å²	111.1	64%	0.636	62%	0.622	S	S	*	*			trans	-79.4	96	171.1	-68.8	-177.8	-10.7	0	0	109.3	P301 S305	P301-Q303 PolarHBondContact O-N 2.68Å; P301-Q303 VanDerWaalsContact O-N 3.16Å; Q303-S305 PolarHBondContact O-N 3.29Å; Q303-S305 VanDerWaalsContact O-N 3.17Å
304	Y	43.2	Very low	62.1	Low	212 Å²	212	116.9 Å²	116.9	83%	0.831	65%	0.652	S	S	*	*			trans	-69.2	105.4	164.1	-83.7	-91.7	0	0	0	109.1	C302 D306	C302-Y304 PolarHBondContact O-N 2.84Å; Y304-D306 PolarHBondContact O-N 3.03Å
305	S	43.9	Very low	59.4	Low	101 Å²	101	121.5 Å²	121.5	71%	0.706	68%	0.684	S	S	*	*			trans	-75.6	112.7	161.6	47.7	0	0	0	0	108.8	Q303 E307	Q303-S305 PolarHBondContact O-N 3.29Å; Q303-S305 VanDerWaalsContact O-N 3.17Å; S305-E307 VanDerWaalsContact C-N 3.28Å; S305-E307 PolarHBondContact O-N 2.75Å
306	D	39	Very low	56.8	Low	162 Å²	162	122.3 Å²	122.3	87%	0.866	69%	0.693	S	S	*	*			trans	-76.9	75	-177.9	-168.5	19.3	0	0	0	111.4	Y304	Y304-D306 PolarHBondContact O-N 3.03Å
307	E	44.7	Very low	54	Low	183 Å²	183	120.2 Å²	120.2	86%	0.855	70%	0.701	S	S	*	*			trans	-97.9	109.4	174.6	-76.7	-102.3	134.2	0	0	110	S305	S305-E307 VanDerWaalsContact C-N 3.28Å; S305-E307 PolarHBondContact O-N 2.75Å
308	G	38.2	Very low	51.4	Low	59 Å²	59	122.9 Å²	122.9	61%	0.608	72%	0.721	S	S	*	*			trans	120.7	46.4	148.7	0	0	0	0	0	120.1	S310	G308-S310 PolarHBondContact O-N 2.92Å
309	Q	40.2	Very low	48.7	Very low	196 Å²	196	130 Å²	130	92%	0.916	75%	0.752	S	S	*	*			trans	-73.7	72.3	146	-71.6	-163	9.5	0	0	110.2
310	S	43.6	Very low	46.6	Very low	104 Å²	104	130.6 Å²	130.6	73%	0.727	76%	0.757	S	S	*	*			trans	-75.9	132.2	174.5	-74.6	0	0	0	0	111.2	G308	G308-S310 PolarHBondContact O-N 2.92Å
311	N	38.1	Very low	44.3	Very low	164 Å²	164	131.7 Å²	131.7	88%	0.877	77%	0.771	S	S	*	*			trans	-67.2	133.7	-174.9	-60.3	-74.1	0	0	0	113.3
312	S	43.5	Very low	42.3	Very low	123 Å²	123	136.7 Å²	136.7	86%	0.86	79%	0.792	S	S	*	*			trans	-135.3	77.3	168.8	47.5	0	0	0	0	111
313	A	40.2	Very low	41.4	Very low	96 Å²	96	135.8 Å²	135.8	79%	0.793	79%	0.792	S	S	*	*			trans	-96.7	103.3	-176.1	0	0	0	0	0	112.7
314	T	40	Very low	40.7	Very low	145 Å²	145	134.5 Å²	134.5	89%	0.89	80%	0.798	S	S	*	*			trans	-158.6	118.3	160.1	-39.5	0	0	0	0	111.3
315	S	40.6	Very low	40.5	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	80%	0.801	S	S	*	*			trans	161.7	87.1	149.8	179.7	0	0	0	0	111.9
316	T	42.7	Very low	40.1	Very low	141 Å²	141	133.8 Å²	133.8	87%	0.865	81%	0.806	S	S	*	*			trans	6.7	130.1	149.7	52.5	0	0	0	0	120.9
317	G	38.4	Very low	40.2	Very low	66 Å²	66	133 Å²	133	68%	0.68	81%	0.807	S	S	*	*			trans	157.2	98.6	144.1	0	0	0	0	0	118.5
318	S	43.2	Very low	40.2	Very low	128 Å²	128	128.8 Å²	128.8	90%	0.895	80%	0.798	S	S	*	*			trans	61.3	157.1	160.6	57.3	0	0	0	0	118.2
319	F	39.9	Very low	40.3	Very low	168 Å²	168	134 Å²	134	74%	0.737	81%	0.812	S	S	*	*			cis	-162.7	136.1	-17	154	-83.5	0	0	0	109.2
320	M	43.6	Very low	40.5	Very low	149 Å²	149	133.9 Å²	133.9	73%	0.734	81%	0.808	S	S	*	*			trans	42.1	138.2	162.8	-61.6	-172.4	-176.1	0	0	123.4
321	D	34.5	Very low	40.5	Very low	150 Å²	150	134.4 Å²	134.4	80%	0.802	81%	0.812	S	S	*	*			trans	-54.3	158.5	170.8	-44.2	-95.7	0	0	0	116.2
322	I	40.1	Very low	40.4	Very low	179 Å²	179	133.6 Å²	133.6	92%	0.918	81%	0.808	S	S	*	*				-162.3	158.8	118	-104.7	163.5	0	0	0	110.6
323	A	39	Very low	40.1	Very low	81 Å²	81	134.9 Å²	134.9	67%	0.669	81%	0.81	S	S	*	*			trans	-103.5	163.9	-158.5	0	0	0	0	0	116.3
324	S	38.3	Very low	39.8	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	81%	0.812	S	S	*	*			trans	57.2	120.7	147.7	-59.5	0	0	0	0	120.5
325	T	38.8	Very low	39.6	Very low	146 Å²	146	139.3 Å²	139.3	90%	0.896	81%	0.812	S	S	*	*				-167.4	156.3	105	16.2	0	0	0	0	112.8
326	N	36.3	Very low	39.1	Very low	153 Å²	153	142.1 Å²	142.1	82%	0.818	81%	0.813	S	S	*	*			trans	-81	155.4	173.6	-62.5	-41	0	0	0	111.1
327	T	41.2	Very low	38.4	Very low	144 Å²	144	144.8 Å²	144.8	88%	0.883	82%	0.815	S	S	*	*				-162.3	153.2	118.8	9.5	0	0	0	0	113
328	S	42.8	Very low	38	Very low	95 Å²	95	147.8 Å²	147.8	66%	0.664	82%	0.82	S	S	*	*			trans	-72.4	158.6	-176.7	52.9	0	0	0	0	114.9
329	N	42	Very low	37.6	Very low	169 Å²	169	147.1 Å²	147.1	90%	0.904	81%	0.813	S	S	*	*				-151	158	123.8	-101.4	-32.9	0	0	0	112.4
330	K	43.1	Very low	37.1	Very low	194 Å²	194	143.2 Å²	143.2	84%	0.843	81%	0.811	S	S	*	*			trans	-103.7	152.2	-175.9	-60.5	177.8	177.5	-177.5	0	111.9
331	S	43.7	Very low	36.7	Very low	114 Å²	114	140 Å²	140	80%	0.797	80%	0.8	S	S	*	*			trans	-163.2	119.1	140.6	55.7	0	0	0	0	110.7
332	D	35.9	Very low	36.8	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	80%	0.799	S	S	*	*			trans	-74.6	147.7	174.4	-50.8	-94.9	0	0	0	111.8
333	T	37.8	Very low	36.9	Very low	150 Å²	150	134.9 Å²	134.9	92%	0.92	78%	0.775	S	S	*	*			trans	-160.3	141.5	139.4	-2.1	0	0	0	0	110.6
334	N	33.7	Very low	37.4	Very low	155 Å²	155	132.9 Å²	132.9	83%	0.829	76%	0.755	S	S	*	*			trans	-125	131.7	-177.1	179.7	28.5	0	0	0	108.6
335	M	35.1	Very low	37.9	Very low	178 Å²	178	129.5 Å²	129.5	88%	0.877	73%	0.727	S	S	*	*			trans	-154.3	146.7	169.7	-159.7	168.3	-178.7	0	0	111.4
336	E	31.5	Very low	38.1	Very low	168 Å²	168	129.2 Å²	129.2	79%	0.785	71%	0.714	S	S	*	*			trans	-78.1	158.3	-161	-67.8	146.9	94.3	0	0	115.9
337	Q	28.3	Very low	38.5	Very low	196 Å²	196	132.5 Å²	132.5	92%	0.916	72%	0.715	S	S	*	*			trans	-69.3	132.7	166.3	-65.9	173.8	-47.4	0	0	110.7
338	V	30.3	Very low	38.6	Very low	129 Å²	129	128.4 Å²	128.4	78%	0.782	69%	0.687	S	S	*	*			trans	-120.6	123.3	167.6	-179.6	0	0	0	0	108.5
339	P	33.4	Very low	38.7	Very low	115 Å²	115	128.9 Å²	128.9	75%	0.747	68%	0.679	S	S	*	*			trans	-69.9	133.7	179.6	27.8	-33.4	0	0	0	111.2	T341	P339-T341 PolarHBondContact O-N 3.2Å
340	A	30.7	Very low	38.8	Very low	85 Å²	85	124.8 Å²	124.8	70%	0.702	66%	0.663	S	S	*	*			trans	-75.5	114.9	-171.6	0	0	0	0	0	112.8	N342	A340-N342 PolarHBondContact O-N 3.47Å
341	T	34.8	Very low	38.9	Very low	81 Å²	81	123 Å²	123	50%	0.497	66%	0.656	S	S	.	*			trans	-79	104.3	169.2	71	0	0	0	0	110.6	P339 D343 K346	P339-T341 PolarHBondContact O-N 3.2Å; T341-D343 WeakPolarHBondContact CB-OD2 3.27Å; T341-D343 PolarHBondContact O-N 2.87Å; T341-D343 PolarHBondContact OG1-OD2 3.3Å; T341-K346 PolarHBondContact O-NZ 3.38Å; T341-K346 PolarHBondContact OG1-NZ 3.15Å
342	N	36.6	Very low	38.8	Very low	146 Å²	146	120.8 Å²	120.8	78%	0.781	63%	0.634	S	S	*	*			trans	-76.1	63.1	177.8	-74.4	-28.3	0	0	0	112	A340 T344	A340-N342 PolarHBondContact O-N 3.47Å; N342-T344 PolarHBondContact O-N 2.71Å
343	D	40.9	Very low	39.2	Very low	76 Å²	76	119.8 Å²	119.8	41%	0.406	63%	0.628	S	S	.	*			trans	-72.2	104.2	175.2	-53.3	-72.7	0	0	0	110.5	T341 I345 K346	T341-D343 WeakPolarHBondContact CB-OD2 3.27Å; T341-D343 PolarHBondContact O-N 2.87Å; T341-D343 PolarHBondContact OG1-OD2 3.3Å; D343-I345 PolarHBondContact O-N 3.44Å; D343-K346 HydrophobicContact CB-CD 4.05Å; D343-K346 HydrophobicContact CB-CG 4.17Å; D343-K346 PolarHBondContact O-N 3.32Å; D343-K346 WeakPolarHBondContact OD2-CE 3.3Å; D343-K346 IonicContact OD2-NZ 3.72Å; D343-K346 PolarHBondContact OD2-NZ 2.98Å
344	T	51	Low	39.4	Very low	40 Å²	40	120.8 Å²	120.8	25%	0.245	62%	0.62	C	S	.	*	T	Hydrogen-bonded Turn	trans	-55.4	-14.7	-176.4	-46.6	0	0	0	0	114.7	A127 N342	A127-T344 HydrophobicContact CB-CG2 4.48Å; N342-T344 PolarHBondContact O-N 2.71Å
345	I	47.5	Very low	39.8	Very low	37 Å²	37	120.1 Å²	120.1	19%	0.19	62%	0.617	C	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-21.3	-177	-60.8	178.6	0	0	0	113.1	I223 I252 L255 D343 R347 L348	I223-I345 HydrophobicContact CG2-CD1 3.95Å; I252-I345 HydrophobicContact CG2-CD1 3.94Å; L255-I345 HydrophobicContact CD1-CD1 4.37Å; D343-I345 PolarHBondContact O-N 3.44Å; I345-R347 PolarHBondContact O-N 3.49Å; I345-L348 PolarHBondContact O-N 3.29Å
346	K	43.1	Very low	40.1	Very low	140 Å²	140	118.9 Å²	118.9	61%	0.609	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	7.7	-167.9	-75.3	173	179	160.8	0	117.8	T341 D343	T341-K346 PolarHBondContact O-NZ 3.38Å; T341-K346 PolarHBondContact OG1-NZ 3.15Å; D343-K346 HydrophobicContact CB-CD 4.05Å; D343-K346 HydrophobicContact CB-CG 4.17Å; D343-K346 PolarHBondContact O-N 3.32Å; D343-K346 WeakPolarHBondContact OD2-CE 3.3Å; D343-K346 IonicContact OD2-NZ 3.72Å; D343-K346 PolarHBondContact OD2-NZ 2.98Å
347	R	45.3	Very low	40.2	Very low	222 Å²	222	115.2 Å²	115.2	84%	0.838	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	-4.2	179.3	-100	179.4	174.9	163.9	-0.9	116.3	I345	I345-R347 PolarHBondContact O-N 3.49Å
348	L	44.2	Very low	40.5	Very low	58 Å²	58	114.9 Å²	114.9	30%	0.304	60%	0.602	S	S	.	*	S	Bend	trans	-88.2	-25.6	-171	-153.8	71.8	0	0	0	115	F291 I345 S350 K351 L352	F291-L348 HydrophobicContact CE1-CD2 4.33Å; I345-L348 PolarHBondContact O-N 3.29Å; L348-S350 VanDerWaalsContact C-N 3.3Å; L348-S350 PolarHBondContact O-N 3.48Å; L348-K351 PolarHBondContact O-N 3.39Å; L348-K351 VanDerWaalsContact O-N 3.15Å; L348-L352 PolarHBondContact O-N 3.38Å
349	E	44.8	Very low	40.6	Very low	105 Å²	105	117.5 Å²	117.5	49%	0.491	61%	0.606	S	S	.	*	H	α-helix	trans	-60.4	-34.2	-168.5	-63.1	178.8	173.1	0	0	113.6	N254 K351 L353	N254-E349 PolarHBondContact ND2-OE1 2.93Å; E349-K351 VanDerWaalsContact C-N 3.25Å; E349-K351 PolarHBondContact O-N 3.01Å; E349-L353 WeakPolarHBondContact O-CD1 3.21Å
350	S	43.4	Very low	40.4	Very low	83 Å²	83	121.7 Å²	121.7	58%	0.58	62%	0.616	S	S	*	*	H	α-helix	trans	-70.1	-15.5	-178.7	63.9	0	0	0	0	115	L348	L348-S350 VanDerWaalsContact C-N 3.3Å; L348-S350 PolarHBondContact O-N 3.48Å
351	K	44.4	Very low	40.3	Very low	157 Å²	157	123 Å²	123	68%	0.683	62%	0.62	S	S	*	*	H	α-helix	trans	-103.9	-36.3	179.5	-69.4	-173.9	177.3	-178.2	0	113.1	L348 E349 K354	L348-K351 PolarHBondContact O-N 3.39Å; L348-K351 VanDerWaalsContact O-N 3.15Å; E349-K351 VanDerWaalsContact C-N 3.25Å; E349-K351 PolarHBondContact O-N 3.01Å; K351-K354 PolarHBondContact O-N 2.69Å
352	L	42	Very low	40.2	Very low	67 Å²	67	128.2 Å²	128.2	35%	0.351	64%	0.639	S	S	.	*	H	α-helix	trans	-68.8	-41.9	-175.1	-144.9	74.9	0	0	0	112.4	L348 K354 N355	L348-L352 PolarHBondContact O-N 3.38Å; L352-K354 VanDerWaalsContact C-N 3.28Å; L352-K354 PolarHBondContact O-N 3.28Å; L352-N355 PolarHBondContact O-N 3.03Å
353	L	44.1	Very low	39.8	Very low	127 Å²	127	127.5 Å²	127.5	67%	0.665	65%	0.645	S	S	*	*	H	α-helix	trans	-67.3	-24.3	-179	-83.8	76.1	0	0	0	113.5	E349	E349-L353 WeakPolarHBondContact O-CD1 3.21Å
354	K	43.2	Very low	39.4	Very low	171 Å²	171	127.9 Å²	127.9	74%	0.743	67%	0.666	S	S	*	*	H	α-helix	trans	-78.6	-21	-178.7	-71.1	-173.8	176.3	-178.2	0	113.9	K351 L352	K351-K354 PolarHBondContact O-N 2.69Å; L352-K354 VanDerWaalsContact C-N 3.28Å; L352-K354 PolarHBondContact O-N 3.28Å
355	N	41.3	Very low	38.3	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	70%	0.698	S	S	*	*	H	α-helix	trans	-99.2	-8.9	-178	-72.6	2.1	0	0	0	114	L352	L352-N355 PolarHBondContact O-N 3.03Å
356	Q	40.9	Very low	37.6	Very low	152 Å²	152	144 Å²	144	71%	0.71	73%	0.733	S	S	*	*	S	Bend	trans	-87.5	-11.3	177.1	-70.1	-175.6	-14.6	0	0	113.8	K358	Q356-K358 PolarHBondContact O-N 3.4Å; Q356-K358 VanDerWaalsContact O-N 3.07Å
357	A	35	Very low	36.9	Very low	91 Å²	91	142 Å²	142	75%	0.752	74%	0.736	S	S	*	*	S	Bend	trans	-78.6	20.7	-178.2	0	0	0	0	0	114.9
358	K	34.2	Very low	36.1	Very low	188 Å²	188	140 Å²	140	82%	0.817	74%	0.741	S	S	*	*	S	Bend	trans	-149.3	41.8	-169	-140.2	178.3	-172.5	-177.4	0	116.9	Q356	Q356-K358 PolarHBondContact O-N 3.4Å; Q356-K358 VanDerWaalsContact O-N 3.07Å
359	Q	32.6	Very low	35.4	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.864	77%	0.768	S	S	*	*			trans	-162.9	101.9	160.1	-109.2	157.2	14.7	0	0	111.2
360	Q	29.4	Very low	34.7	Very low	203 Å²	203	140.8 Å²	140.8	95%	0.949	78%	0.782	S	S	*	*			trans	-145.9	70.6	173.7	-84	-163.9	-22.5	0	0	112.5
361	S	28.2	Very low	34	Very low	111 Å²	111	142.2 Å²	142.2	78%	0.776	79%	0.792	S	S	*	*			trans	-172.8	144.1	158.4	56.1	0	0	0	0	106.4
362	E	31.6	Very low	33.4	Very low	192 Å²	192	147 Å²	147	90%	0.897	81%	0.806	S	S	*	*			cis	-130.6	177.7	16.5	-64.2	170.6	100.9	0	0	112.3
363	S	29.7	Very low	32.8	Very low	131 Å²	131	147.5 Å²	147.5	92%	0.916	83%	0.828	S	S	*	*			trans	-98.6	137.2	176.1	-69.6	0	0	0	0	112.5
364	G	31.1	Very low	32.3	Very low	83 Å²	83	147.3 Å²	147.3	86%	0.856	84%	0.837	S	S	*	*			trans	-143.4	79.7	179.7	0	0	0	0	0	113.2
365	R	28.6	Very low	31.7	Very low	240 Å²	240	144.4 Å²	144.4	91%	0.906	84%	0.838	S	S	*	*			trans	-84.6	116.6	-173.6	174.3	-162.6	-174.3	-171.9	4.8	112.6
366	L	32.5	Very low	31.6	Very low	177 Å²	177	144.2 Å²	144.2	93%	0.927	84%	0.842	S	S	*	*			trans	-143.3	162.9	154.8	-80	-174.7	0	0	0	111.2
367	S	27.9	Very low	31.3	Very low	97 Å²	97	145.8 Å²	145.8	68%	0.678	85%	0.849	S	S	*	*			trans	-147.1	151.1	-160.2	57.5	0	0	0	0	114.6
368	L	28.3	Very low	31.1	Very low	180 Å²	180	147.1 Å²	147.1	94%	0.942	85%	0.853	S	S	*	*			trans	56.1	108.9	152.2	-72.5	160.8	0	0	0	118.4
369	G	30.4	Very low	31.1	Very low	83 Å²	83	145.9 Å²	145.9	86%	0.856	85%	0.854	S	S	*	*			trans	-144.2	139.7	158.5	0	0	0	0	0	109
370	A	29.6	Very low	31.1	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	84%	0.84	S	S	*	*			trans	-118.5	150.6	-160.3	0	0	0	0	0	115.7
371	S	29.7	Very low	31.3	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	84%	0.838	S	S	*	*			trans	43.4	99.8	145.8	-57.1	0	0	0	0	120.4
372	R	31.6	Very low	31.6	Very low	256 Å²	256	137.7 Å²	137.7	97%	0.966	83%	0.83	S	S	*	*			trans	-168.5	136.4	138.5	-96.9	149.4	-178.3	-172	0.6	106.3
373	G	28.3	Very low	31.9	Very low	79 Å²	79	133.5 Å²	133.5	81%	0.814	82%	0.823	S	S	*	*			cis	141.3	103	3	0	0	0	0	0	108.8
374	S	33.7	Very low	32.5	Very low	122 Å²	122	131.4 Å²	131.4	85%	0.853	80%	0.798	S	S	*	*			trans	-147.5	134.5	174.5	-170	0	0	0	0	109.3
375	S	31.8	Very low	32.8	Very low	111 Å²	111	130.2 Å²	130.2	78%	0.776	79%	0.786	S	S	*	*			trans	-94.7	130.3	178.9	-166.4	0	0	0	0	109.3	E377	S375-E377 PolarHBondContact O-N 2.99Å
376	V	39.1	Very low	33.1	Very low	137 Å²	137	127.6 Å²	127.6	83%	0.83	78%	0.781	S	S	*	*			trans	-86	103.8	172.5	-73.6	0	0	0	0	109.3
377	E	33.7	Very low	33.6	Very low	185 Å²	185	125.7 Å²	125.7	86%	0.864	76%	0.762	S	S	*	*			trans	-73.6	134.6	-177.2	-165	160.8	-149.1	0	0	111.1	S375 L379	S375-E377 PolarHBondContact O-N 2.99Å; E377-L379 PolarHBondContact O-N 3.1Å
378	S	30.4	Very low	34.2	Very low	119 Å²	119	125.7 Å²	125.7	83%	0.832	75%	0.752	S	S	*	*			trans	-84	102	-171.8	-64.1	0	0	0	0	111.4
379	L	35.6	Very low	35.3	Very low	162 Å²	162	120.4 Å²	120.4	85%	0.848	73%	0.731	S	S	*	*			trans	-71.3	132.4	176.9	-75.5	168.1	0	0	0	111.9	E377	E377-L379 PolarHBondContact O-N 3.1Å
380	P	31.8	Very low	36.3	Very low	88 Å²	88	119.2 Å²	119.2	57%	0.571	71%	0.712	S	S	*	*			trans	-74.1	162.9	174.8	31.9	-35.5	0	0	0	111.9	T382	P380-T382 PolarHBondContact O-N 3.09Å
381	P	33.6	Very low	37.6	Very low	138 Å²	138	115.5 Å²	115.5	90%	0.896	68%	0.679	S	S	*	*			trans	-70.2	98.6	-177.3	28.4	-35.8	0	0	0	112.7
382	T	34.8	Very low	39.1	Very low	101 Å²	101	111.7 Å²	111.7	62%	0.62	65%	0.649	S	S	*	*			trans	-92.1	106.9	-178.6	49.6	0	0	0	0	113.4	P380 E384	P380-T382 PolarHBondContact O-N 3.09Å; T382-E384 VanDerWaalsContact C-N 3.28Å; T382-E384 PolarHBondContact O-N 3.02Å
383	S	38.5	Very low	40.8	Very low	105 Å²	105	102.4 Å²	102.4	73%	0.734	62%	0.624	S	S	*	*	S	Bend	trans	52.9	-14	152.1	65.5	0	0	0	0	122.7	G385 K386	S383-G385 PolarHBondContact O-N 3.03Å; S383-K386 PolarHBondContact O-N 3.39Å
384	E	41.2	Very low	42.8	Very low	86 Å²	86	102 Å²	102	40%	0.402	60%	0.601	S	S	.	*	H	α-helix	trans	-59.2	-25.7	-171.4	-72.5	-147.4	122	0	0	115.1	T382 K386 R387 M388	T382-E384 VanDerWaalsContact C-N 3.28Å; T382-E384 PolarHBondContact O-N 3.02Å; E384-K386 PolarHBondContact O-N 2.68Å; E384-K386 VanDerWaalsContact O-N 3.09Å; E384-R387 PolarHBondContact O-N 3.32Å; E384-M388 PolarHBondContact O-N 3.1Å
385	G	37.1	Very low	44.5	Very low	58 Å²	58	96.7 Å²	96.7	60%	0.598	56%	0.562	S	S	*	*	H	α-helix	trans	-54.6	-30	177.6	0	0	0	0	0	114	S383 S389	S383-G385 PolarHBondContact O-N 3.03Å; G385-S389 WeakPolarHBondContact O-CB 3.49Å; G385-S389 PolarHBondContact O-N 3.1Å
386	K	34.7	Very low	46.3	Very low	186 Å²	186	95.2 Å²	95.2	81%	0.809	54%	0.543	S	S	*	.	H	α-helix	trans	-73.2	-38.5	173.3	-79.7	-174.1	173	-178.1	0	113.2	S383 E384 A390	S383-K386 PolarHBondContact O-N 3.39Å; E384-K386 PolarHBondContact O-N 2.68Å; E384-K386 VanDerWaalsContact O-N 3.09Å; K386-A390 PolarHBondContact O-N 3.44Å
387	R	42.8	Very low	48	Very low	137 Å²	137	91.5 Å²	91.5	52%	0.517	53%	0.526	S	S	.	.	H	α-helix	trans	-68.7	-46.4	176.6	-80	-174.9	168.4	168.7	-2.9	111.5	E384 S389 A390 D391	E384-R387 PolarHBondContact O-N 3.32Å; R387-S389 PolarHBondContact O-N 3.42Å; R387-A390 WeakPolarHBondContact O-CB 3.31Å; R387-A390 PolarHBondContact O-N 3.28Å; R387-D391 PolarHBondContact O-N 2.89Å
388	M	42.5	Very low	49.8	Very low	96 Å²	96	87.2 Å²	87.2	47%	0.473	50%	0.503	S	S	.	.	H	α-helix	trans	-56.3	-40	176.4	-68.2	-179.3	66.3	0	0	112	E384 A390 M392	E384-M388 PolarHBondContact O-N 3.1Å; M388-A390 VanDerWaalsContact C-N 3.32Å; M388-A390 PolarHBondContact O-N 3.46Å; M388-M392 WeakPolarHBondContact O-CG 3.44Å; M388-M392 PolarHBondContact O-N 3.32Å
389	S	51	Low	51.6	Low	70 Å²	70	81.6 Å²	81.6	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-32.1	176.3	-166.6	0	0	0	0	113.5	G385 R387 S393	G385-S389 WeakPolarHBondContact O-CB 3.49Å; G385-S389 PolarHBondContact O-N 3.1Å; R387-S389 PolarHBondContact O-N 3.42Å; S389-S393 WeakPolarHBondContact O-CB 3.44Å; S389-S393 PolarHBondContact O-N 3.35Å; S389-S393 VanDerWaalsContact O-N 3.12Å; S389-S393 PolarHBondContact O-OG 2.91Å
390	A	50.2	Low	53.2	Low	57 Å²	57	76 Å²	76	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-71.4	-51.8	-176.9	0	0	0	0	0	111.9	K386 R387 M388 M392 S393 E394	K386-A390 PolarHBondContact O-N 3.44Å; R387-A390 WeakPolarHBondContact O-CB 3.31Å; R387-A390 PolarHBondContact O-N 3.28Å; M388-A390 VanDerWaalsContact C-N 3.32Å; M388-A390 PolarHBondContact O-N 3.46Å; A390-M392 VanDerWaalsContact C-N 3.31Å; A390-M392 PolarHBondContact O-N 3.45Å; A390-S393 WeakPolarHBondContact O-CB 3.37Å; A390-S393 PolarHBondContact O-N 2.67Å; A390-S393 VanDerWaalsContact O-N 3.13Å; A390-E394 PolarHBondContact O-N 2.99Å; A390-E394 VanDerWaalsContact O-N 3.13Å
391	D	57.2	Low	54.9	Low	18 Å²	18	74 Å²	74	10%	0.096	43%	0.431	C	S	.	.	H	α-helix	trans	-65.3	-37.2	-179.5	-37	-61.8	0	0	0	111.3	R79 R387 S393 E394 I395	R79-D391 IonicContact CZ-OD2 3.59Å; R79-D391 IonicContact NH1-OD2 2.69Å; R79-D391 PolarHBondContact NH1-OD2 3.33Å; R79-D391 IonicContact NH2-OD2 3.34Å; R79-D391 PolarHBondContact NH2-OD2 3.37Å; R387-D391 PolarHBondContact O-N 2.89Å; D391-S393 VanDerWaalsContact C-N 3.32Å; D391-S393 PolarHBondContact O-N 2.75Å; D391-E394 PolarHBondContact O-N 2.97Å; D391-I395 WeakPolarHBondContact O-CD1 3.22Å; D391-I395 WeakPolarHBondContact O-CG1 3.25Å; D391-I395 PolarHBondContact O-N 2.89Å
392	M	61.2	Low	56.1	Low	35 Å²	35	69.5 Å²	69.5	17%	0.172	40%	0.401	C	S	.	.	H	α-helix	trans	-58.1	-45.9	173	-71.1	-66.5	-58.4	0	0	111	I75 M388 A390 E394 I395 E396	I75-M392 HydrophobicContact CB-CE 4Å; I75-M392 HydrophobicContact CG2-CE 3.48Å; I75-M392 VanDerWaalsContact CG2-CE 3.48Å; I75-M392 HydrophobicContact CG2-SD 3.56Å; I75-M392 VanDerWaalsContact CG2-SD 3.56Å; M388-M392 WeakPolarHBondContact O-CG 3.44Å; M388-M392 PolarHBondContact O-N 3.32Å; A390-M392 VanDerWaalsContact C-N 3.31Å; A390-M392 PolarHBondContact O-N 3.45Å; M392-E394 VanDerWaalsContact C-N 3.27Å; M392-E394 PolarHBondContact O-N 2.93Å; M392-I395 PolarHBondContact O-N 2.82Å; M392-E396 WeakPolarHBondContact O-CB 3.36Å; M392-E396 VanDerWaalsContact O-CG 3.29Å; M392-E396 WeakPolarHBondContact O-CG 3.21Å; M392-E396 PolarHBondContact O-N 3.2Å
393	S	67.1	Low	57	Low	61 Å²	61	67.5 Å²	67.5	43%	0.427	39%	0.389	S	S	.	.	H	α-helix	trans	-61.2	-34.2	178.4	-58.1	0	0	0	0	112.5	S389 A390 D391 A397	S389-S393 WeakPolarHBondContact O-CB 3.44Å; S389-S393 PolarHBondContact O-N 3.35Å; S389-S393 VanDerWaalsContact O-N 3.12Å; S389-S393 PolarHBondContact O-OG 2.91Å; A390-S393 WeakPolarHBondContact O-CB 3.37Å; A390-S393 PolarHBondContact O-N 2.67Å; A390-S393 VanDerWaalsContact O-N 3.13Å; D391-S393 VanDerWaalsContact C-N 3.32Å; D391-S393 PolarHBondContact O-N 2.75Å; S393-A397 WeakPolarHBondContact O-CB 3.48Å; S393-A397 PolarHBondContact O-N 3.15Å
394	E	71.2	Confident	57.6	Low	71 Å²	71	65.2 Å²	65.2	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-68	-45.3	176.9	-158.3	-158.2	140.9	0	0	111.7	A390 D391 M392 A397 R398	A390-E394 PolarHBondContact O-N 2.99Å; A390-E394 VanDerWaalsContact O-N 3.13Å; D391-E394 PolarHBondContact O-N 2.97Å; M392-E394 VanDerWaalsContact C-N 3.27Å; M392-E394 PolarHBondContact O-N 2.93Å; E394-A397 PolarHBondContact O-N 2.95Å; E394-R398 WeakPolarHBondContact O-CG 3.41Å; E394-R398 PolarHBondContact O-N 3.27Å; E394-R398 IonicContact OE1-CZ 3.48Å; E394-R398 IonicContact OE1-NE 2.72Å; E394-R398 PolarHBondContact OE1-NE 3.1Å; E394-R398 IonicContact OE1-NH2 3.57Å; E394-R398 PolarHBondContact OE1-NH2 3.31Å
395	I	68.7	Low	57.8	Low	9 Å²	9	71 Å²	71	5%	0.046	40%	0.396	C	S	.	.	H	α-helix	trans	-67.4	-43.9	179.7	-52.9	151.9	0	0	0	110.1	L26 I75 D391 M392 A397 R398 I399	L26-I395 HydrophobicContact CD1-CD1 3.36Å; L26-I395 HydrophobicContact CD1-CG1 3.93Å; L26-I395 HydrophobicContact CG-CD1 4.31Å; I75-I395 HydrophobicContact CD1-CG2 4.28Å; I75-I395 HydrophobicContact CG1-CG2 4.08Å; I75-I395 HydrophobicContact CG2-CB 4.08Å; I75-I395 HydrophobicContact CG2-CD1 3.68Å; I75-I395 HydrophobicContact CG2-CG2 3.9Å; D391-I395 WeakPolarHBondContact O-CD1 3.22Å; D391-I395 WeakPolarHBondContact O-CG1 3.25Å; D391-I395 PolarHBondContact O-N 2.89Å; M392-I395 PolarHBondContact O-N 2.82Å; I395-A397 VanDerWaalsContact C-N 3.31Å; I395-A397 PolarHBondContact O-N 3.1Å; I395-R398 PolarHBondContact O-N 3.2Å; I395-I399 HydrophobicContact CG2-CD1 3.93Å; I395-I399 WeakPolarHBondContact O-CG1 3.24Å; I395-I399 PolarHBondContact O-N 2.94Å
396	E	70.8	Confident	58.1	Low	81 Å²	81	72 Å²	72	38%	0.379	39%	0.393	S	S	.	.	H	α-helix	trans	-59.9	-41.6	174.5	-73	175.2	-169	0	0	111.2	I75 M392 A400	I75-E396 HydrophobicContact CD1-CG 3.51Å; M392-E396 WeakPolarHBondContact O-CB 3.36Å; M392-E396 VanDerWaalsContact O-CG 3.29Å; M392-E396 WeakPolarHBondContact O-CG 3.21Å; M392-E396 PolarHBondContact O-N 3.2Å; E396-A400 WeakPolarHBondContact O-CB 3.24Å; E396-A400 PolarHBondContact O-N 3.38Å
397	A	73.3	Confident	58	Low	58 Å²	58	71 Å²	71	48%	0.479	39%	0.389	S	S	.	.	H	α-helix	trans	-65.5	-41.4	175.3	0	0	0	0	0	113	S393 E394 I395 A400 A401	S393-A397 WeakPolarHBondContact O-CB 3.48Å; S393-A397 PolarHBondContact O-N 3.15Å; E394-A397 PolarHBondContact O-N 2.95Å; I395-A397 VanDerWaalsContact C-N 3.31Å; I395-A397 PolarHBondContact O-N 3.1Å; A397-A400 PolarHBondContact O-N 2.79Å; A397-A401 VanDerWaalsContact O-CB 3.31Å; A397-A401 WeakPolarHBondContact O-CB 3.36Å; A397-A401 PolarHBondContact O-N 3.37Å
398	R	72.9	Confident	57.6	Low	96 Å²	96	70.3 Å²	70.3	36%	0.362	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-51.8	175	-71.7	179.3	-173.9	-147.9	8.2	111.2	L97 E394 I395 A400 A401 T402	L97-R398 HydrophobicContact CD1-CB 4.2Å; E394-R398 WeakPolarHBondContact O-CG 3.41Å; E394-R398 PolarHBondContact O-N 3.27Å; E394-R398 IonicContact OE1-CZ 3.48Å; E394-R398 IonicContact OE1-NE 2.72Å; E394-R398 PolarHBondContact OE1-NE 3.1Å; E394-R398 IonicContact OE1-NH2 3.57Å; E394-R398 PolarHBondContact OE1-NH2 3.31Å; I395-R398 PolarHBondContact O-N 3.2Å; R398-A400 PolarHBondContact O-N 2.76Å; R398-A401 PolarHBondContact O-N 3.26Å; R398-T402 PolarHBondContact O-N 2.94Å; R398-T402 PolarHBondContact O-OG1 3.36Å
399	I	68	Low	57.3	Low	0 Å²	0	75.8 Å²	75.8	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-63.7	-42.6	178.2	-58.4	161.1	0	0	0	110.8	R71 F74 I75 L97 V100 I395 A401 T402 T403	R71-I399 VanDerWaalsContact NH1-CG2 3.27Å; F74-I399 HydrophobicContact CE1-CD1 4.47Å; I75-I399 HydrophobicContact CD1-CD1 3.93Å; I75-I399 HydrophobicContact CG1-CD1 3.96Å; L97-I399 HydrophobicContact CB-CG1 4.46Å; L97-I399 HydrophobicContact CD1-CG1 4.42Å; L97-I399 HydrophobicContact CD2-CG1 3.99Å; V100-I399 HydrophobicContact CG2-CG2 3.84Å; I395-I399 HydrophobicContact CG2-CD1 3.93Å; I395-I399 WeakPolarHBondContact O-CG1 3.24Å; I395-I399 PolarHBondContact O-N 2.94Å; I399-A401 PolarHBondContact O-N 2.77Å; I399-T402 PolarHBondContact O-N 2.83Å; I399-T403 PolarHBondContact O-N 2.87Å; I399-T403 PolarHBondContact O-OG1 2.65Å
400	A	67.9	Low	56.5	Low	44 Å²	44	84 Å²	84	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-60.9	-42.2	177.7	0	0	0	0	0	112	E396 A397 R398 T403 A404	E396-A400 WeakPolarHBondContact O-CB 3.24Å; E396-A400 PolarHBondContact O-N 3.38Å; A397-A400 PolarHBondContact O-N 2.79Å; R398-A400 PolarHBondContact O-N 2.76Å; A400-T403 WeakPolarHBondContact CA-OG1 3.25Å; A400-T403 PolarHBondContact O-N 2.69Å; A400-T403 PolarHBondContact O-OG1 2.9Å; A400-A404 WeakPolarHBondContact O-CB 3.18Å; A400-A404 PolarHBondContact O-N 3.44Å
401	A	68	Low	55.8	Low	47 Å²	47	85 Å²	85	39%	0.388	46%	0.459	S	S	.	.	H	α-helix	trans	-58.8	-48.4	175.3	0	0	0	0	0	111.5	A397 R398 I399 T403 A404 Y405	A397-A401 VanDerWaalsContact O-CB 3.31Å; A397-A401 WeakPolarHBondContact O-CB 3.36Å; A397-A401 PolarHBondContact O-N 3.37Å; R398-A401 PolarHBondContact O-N 3.26Å; I399-A401 PolarHBondContact O-N 2.77Å; A401-T403 VanDerWaalsContact C-N 3.33Å; A401-T403 PolarHBondContact O-N 3.08Å; A401-A404 WeakPolarHBondContact O-CB 3.41Å; A401-A404 PolarHBondContact O-N 3.1Å; A401-A404 VanDerWaalsContact O-N 3.07Å; A401-Y405 VanDerWaalsContact O-CD2 3.22Å; A401-Y405 WeakPolarHBondContact O-CD2 3.45Å; A401-Y405 PolarHBondContact O-N 3.27Å
402	T	58.4	Low	54.7	Low	43 Å²	43	92.6 Å²	92.6	26%	0.264	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-38.8	179	-52.4	0	0	0	0	112.1	L97 N98 R398 I399	L97-T402 HydrophobicContact CB-CG2 4.3Å; N98-T402 HydrophobicContact CB-CG2 3.71Å; R398-T402 PolarHBondContact O-N 2.94Å; R398-T402 PolarHBondContact O-OG1 3.36Å; I399-T402 PolarHBondContact O-N 2.83Å
403	T	54.2	Low	53.6	Low	60 Å²	60	102.8 Å²	102.8	37%	0.368	53%	0.53	S	S	.	.	H	α-helix	trans	-70.3	-29	172.9	56	0	0	0	0	114	I399 A400 A401 Y405 S406	I399-T403 PolarHBondContact O-N 2.87Å; I399-T403 PolarHBondContact O-OG1 2.65Å; A400-T403 WeakPolarHBondContact CA-OG1 3.25Å; A400-T403 PolarHBondContact O-N 2.69Å; A400-T403 PolarHBondContact O-OG1 2.9Å; A401-T403 VanDerWaalsContact C-N 3.33Å; A401-T403 PolarHBondContact O-N 3.08Å; T403-Y405 VanDerWaalsContact C-N 3.32Å; T403-Y405 PolarHBondContact O-N 2.92Å; T403-S406 PolarHBondContact O-N 3.08Å
404	A	50.4	Low	52.2	Low	57 Å²	57	108.2 Å²	108.2	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-69.3	-26.6	-177.3	0	0	0	0	0	113.7	A400 A401 S406	A400-A404 WeakPolarHBondContact O-CB 3.18Å; A400-A404 PolarHBondContact O-N 3.44Å; A401-A404 WeakPolarHBondContact O-CB 3.41Å; A401-A404 PolarHBondContact O-N 3.1Å; A401-A404 VanDerWaalsContact O-N 3.07Å; A404-S406 VanDerWaalsContact C-N 3.27Å; A404-S406 PolarHBondContact O-N 3.03Å
405	Y	46.3	Very low	50.5	Low	208 Å²	208	111.3 Å²	111.3	82%	0.816	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-16.9	175.5	-75.7	-73.5	0	0	0	113.7	A401 T403 K407	A401-Y405 VanDerWaalsContact O-CD2 3.22Å; A401-Y405 WeakPolarHBondContact O-CD2 3.45Å; A401-Y405 PolarHBondContact O-N 3.27Å; T403-Y405 VanDerWaalsContact C-N 3.32Å; T403-Y405 PolarHBondContact O-N 2.92Å; Y405-K407 PolarHBondContact O-N 2.88Å
406	S	43.2	Very low	48.9	Very low	77 Å²	77	115.4 Å²	115.4	54%	0.538	61%	0.605	S	S	.	*			trans	-80.9	42.7	-179.5	-57.3	0	0	0	0	114.1	N98 T403 A404	N98-S406 PolarHBondContact ND2-OG 2.64Å; T403-S406 PolarHBondContact O-N 3.08Å; A404-S406 VanDerWaalsContact C-N 3.27Å; A404-S406 PolarHBondContact O-N 3.03Å
407	K	32.7	Very low	47.3	Very low	167 Å²	167	116.4 Å²	116.4	73%	0.726	62%	0.621	S	S	*	*			trans	-102.3	120.1	176.3	-76.9	179.8	178.8	171.2	0	112.2	Y405	Y405-K407 PolarHBondContact O-N 2.88Å
408	P	35.2	Very low	45.6	Very low	121 Å²	121	124 Å²	124	79%	0.786	64%	0.644	S	S	*	*			trans	-66.2	136.2	175.6	26.9	-33.5	0	0	0	111.1	R410	P408-R410 PolarHBondContact O-N 2.93Å
409	K	35.1	Very low	43.8	Very low	212 Å²	212	123.1 Å²	123.1	92%	0.922	66%	0.664	S	S	*	*			trans	-66.2	98.9	-177.2	-71.2	-179	178.2	176.1	0	111.6	G411	K409-G411 VanDerWaalsContact C-N 3.33Å; K409-G411 PolarHBondContact O-N 3.12Å
410	R	34.3	Very low	42.1	Very low	243 Å²	243	130.4 Å²	130.4	92%	0.917	70%	0.703	S	S	*	*			trans	-67.7	87.1	166	-96.6	-174.1	165.9	-178.3	-3.4	110.6	P408 H412	P408-R410 PolarHBondContact O-N 2.93Å; R410-H412 PolarHBondContact O-N 2.8Å
411	G	35.4	Very low	40.5	Very low	76 Å²	76	135.1 Å²	135.1	78%	0.784	72%	0.721	S	S	*	*			trans	-64.7	115.6	175.5	0	0	0	0	0	112.2	K409	K409-G411 VanDerWaalsContact C-N 3.33Å; K409-G411 PolarHBondContact O-N 3.12Å
412	H	35.6	Very low	38.8	Very low	179 Å²	179	140 Å²	140	83%	0.829	74%	0.74	S	S	*	*			trans	-79	125.3	166.7	-98.4	62	0	0	0	110.2	R410	R410-H412 PolarHBondContact O-N 2.8Å
413	R	36.6	Very low	37.7	Very low	248 Å²	248	144.8 Å²	144.8	94%	0.936	76%	0.764	S	S	*	*			trans	-144.2	134.5	157	-151.5	170.6	-169.9	167.3	3	109.5
414	K	37.3	Very low	36.5	Very low	175 Å²	175	148.5 Å²	148.5	76%	0.761	79%	0.786	S	S	*	*			trans	-103.2	171.9	178.8	-73.8	-175.2	174.5	-179	0	110.6
415	T	36.4	Very low	35.8	Very low	137 Å²	137	151.5 Å²	151.5	84%	0.84	80%	0.8	S	S	*	*			trans	66.6	100.5	161	54.5	0	0	0	0	119.1
416	A	34.3	Very low	35.3	Very low	94 Å²	94	150.6 Å²	150.6	78%	0.777	80%	0.804	S	S	*	*				114.9	146.3	108.8	0	0	0	0	0	120
417	S	38	Very low	34.6	Very low	103 Å²	103	154.7 Å²	154.7	72%	0.72	82%	0.818	S	S	*	*			trans	60.6	106.3	160.5	50.2	0	0	0	0	121.3
418	F	37.4	Very low	34.6	Very low	218 Å²	218	152.7 Å²	152.7	96%	0.956	82%	0.819	S	S	*	*			trans	43.5	119.1	135	-59.2	-77.5	0	0	0	121.5
419	G	35.6	Very low	34.5	Very low	76 Å²	76	154.4 Å²	154.4	78%	0.784	82%	0.82	S	S	*	*			trans	175.6	136.1	162.7	0	0	0	0	0	110.5
420	N	32.9	Very low	34.4	Very low	154 Å²	154	149.9 Å²	149.9	82%	0.824	82%	0.816	S	S	*	*			trans	-110.5	160.3	-173.6	-94.3	1	0	0	0	113.1
421	I	33.7	Very low	34.2	Very low	143 Å²	143	141.8 Å²	141.8	73%	0.733	81%	0.807	S	S	*	*			trans	84.9	117	146	-90.4	163.8	0	0	0	119.2
422	L	32.5	Very low	34.2	Very low	150 Å²	150	146.8 Å²	146.8	79%	0.785	82%	0.816	S	S	*	*			trans	57.8	145.9	148.3	-52.7	176.1	0	0	0	118.3
423	D	34.2	Very low	34.1	Very low	143 Å²	143	141.5 Å²	141.5	77%	0.765	81%	0.81	S	S	*	*			cis	-138.9	167	28.3	-84	-53.9	0	0	0	114.2
424	V	30.1	Very low	34.1	Very low	137 Å²	137	138.6 Å²	138.6	83%	0.83	81%	0.807	S	S	*	*			trans	-142.6	119.1	167	178.8	0	0	0	0	110.7
425	P	36.1	Very low	34.1	Very low	120 Å²	120	135.7 Å²	135.7	78%	0.779	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-86.5	159.6	170.2	-12.8	30.8	0	0	0	114.3
426	E	34.6	Very low	34.1	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.5	168.3	-172.7	-67.2	178.8	101.1	0	0	116
427	I	29	Very low	34.2	Very low	162 Å²	162	148.1 Å²	148.1	83%	0.831	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-81.6	134.3	168.8	-61.9	167.2	0	0	0	109.4
428	V	33.5	Very low	34.1	Very low	125 Å²	125	155.2 Å²	155.2	76%	0.758	83%	0.829	S	S	*	*			trans	-117.3	129.6	172.9	179.1	0	0	0	0	110.4
429	I	31.2	Very low	34.1	Very low	157 Å²	157	149.6 Å²	149.6	81%	0.805	82%	0.817	S	S	*	*			trans	-107.3	121	170	-61	175.8	0	0	0	108.1
430	S	33.3	Very low	34.3	Very low	118 Å²	118	153.1 Å²	153.1	83%	0.825	82%	0.816	S	S	*	*			trans	-84.9	133.8	177.9	-65.4	0	0	0	0	111.9
431	G	30	Very low	34.6	Very low	72 Å²	72	153.2 Å²	153.2	74%	0.742	81%	0.812	S	S	*	*			trans	-132.5	140.5	174.1	0	0	0	0	0	112.8
432	N	35.8	Very low	34.5	Very low	181 Å²	181	152.4 Å²	152.4	97%	0.968	81%	0.808	S	S	*	*			trans	-153.7	140.8	171.3	-90.5	-31.5	0	0	0	105.8
433	G	34.4	Very low	34.8	Very low	69 Å²	69	153 Å²	153	71%	0.711	81%	0.812	S	S	*	*			cis	177.8	139.4	-8.1	0	0	0	0	0	105.8
434	Q	36.2	Very low	34.7	Very low	187 Å²	187	152.7 Å²	152.7	87%	0.874	82%	0.815	S	S	*	*				165.1	143	89.4	-95.6	-89.5	-23.4	0	0	107.6
435	P	37.1	Very low	35.2	Very low	114 Å²	114	152.6 Å²	152.6	74%	0.74	82%	0.815	S	S	*	*			trans	-109.7	149.2	-176.7	37.9	-31.7	0	0	0	115.2
436	R	35.9	Very low	35.2	Very low	251 Å²	251	153.6 Å²	153.6	95%	0.947	82%	0.819	S	S	*	*			trans	-150.8	103	165.7	-118	174.7	-174.8	177.3	1.9	116.1
437	R	36.3	Very low	35.2	Very low	241 Å²	241	147.7 Å²	147.7	91%	0.909	81%	0.809	S	S	*	*			trans	9	131.4	153.9	-75.9	178	155.7	-165.5	-6.4	120.2
438	R	37.4	Very low	35.6	Very low	251 Å²	251	146.4 Å²	146.4	95%	0.947	81%	0.809	S	S	*	*				-165.3	175.5	97	-104.3	175.9	177.2	168.8	-0.3	111.7
439	S	36.1	Very low	35.7	Very low	101 Å²	101	148.9 Å²	148.9	71%	0.706	81%	0.812	S	S	*	*			trans	-139.9	172	-157.9	55.6	0	0	0	0	113.7
440	I	40.5	Very low	36.4	Very low	150 Å²	150	146.6 Å²	146.6	77%	0.769	81%	0.808	S	S	*	*			trans	138.8	105.2	158.1	-76.6	157.3	0	0	0	107
441	Q	38.2	Very low	36.7	Very low	156 Å²	156	144.6 Å²	144.6	73%	0.729	81%	0.805	S	S	*	*				56.8	146.1	67.6	-61	-160.5	-80.7	0	0	113.5
442	D	32.9	Very low	36.9	Very low	125 Å²	125	150.5 Å²	150.5	67%	0.668	81%	0.813	S	S	*	*			cis	-170.7	151.3	-25.4	-99.8	-43	0	0	0	104.2
443	L	39.2	Very low	37	Very low	163 Å²	163	149.1 Å²	149.1	85%	0.853	81%	0.811	S	S	*	*			trans	150.9	141.4	148.7	-85	159.2	0	0	0	113.8
444	T	32	Very low	37.1	Very low	137 Å²	137	150.9 Å²	150.9	84%	0.84	81%	0.813	S	S	*	*			trans	-138.7	126.7	169.6	41.2	0	0	0	0	109.7
445	V	40.2	Very low	37.4	Very low	135 Å²	135	146.7 Å²	146.7	82%	0.818	80%	0.804	S	S	*	*			trans	-145.3	151.4	171.9	-176.3	0	0	0	0	109.1
446	T	34.8	Very low	37.6	Very low	141 Å²	141	152.7 Å²	152.7	87%	0.865	81%	0.812	S	S	*	*			trans	-100.9	159.9	-172.1	48.6	0	0	0	0	113.7
447	G	35.3	Very low	37.9	Very low	66 Å²	66	145.7 Å²	145.7	68%	0.68	80%	0.801	S	S	*	*			trans	160.9	102.4	163.1	0	0	0	0	0	118.4
448	T	36.9	Very low	38	Very low	135 Å²	135	139 Å²	139	83%	0.828	79%	0.792	S	S	*	*			trans	36.1	114	143.4	46.2	0	0	0	0	122.8
449	E	36.1	Very low	38.2	Very low	176 Å²	176	132.5 Å²	132.5	82%	0.822	79%	0.785	S	S	*	*				58.2	154.8	110.6	-77.3	-68.3	87.1	0	0	121.7
450	P	46.1	Very low	38.7	Very low	110 Å²	110	133.7 Å²	133.7	71%	0.714	79%	0.79	S	S	*	*				-127.8	177.7	-120.5	43	-29.4	0	0	0	116.2
451	G	39.5	Very low	38.5	Very low	75 Å²	75	132.1 Å²	132.1	77%	0.773	79%	0.793	S	S	*	*			trans	-153.6	144.4	170.9	0	0	0	0	0	113.3
452	Q	34.5	Very low	38.5	Very low	196 Å²	196	130.8 Å²	130.8	92%	0.916	80%	0.795	S	S	*	*			trans	-84.6	154.9	177.9	-55.2	167	-72.4	0	0	111.7
453	V	38.4	Very low	38.7	Very low	152 Å²	152	135.5 Å²	135.5	92%	0.921	80%	0.803	S	S	*	*				-162.2	149.4	127.2	152	0	0	0	0	109.5
454	S	36.2	Very low	38.5	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	80%	0.801	S	S	*	*			trans	-89.4	155.1	-174.4	-175.7	0	0	0	0	114.4
455	S	41.7	Very low	38.9	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	80%	0.801	S	S	*	*				179.7	126.7	118.8	60	0	0	0	0	116.7
456	R	41.3	Very low	38.6	Very low	240 Å²	240	135.7 Å²	135.7	91%	0.906	79%	0.794	S	S	*	*			trans	58.2	151.9	135.5	-63.5	175	176.9	-177.7	-2.8	120.3
457	S	42.2	Very low	38.7	Very low	104 Å²	104	135 Å²	135	73%	0.727	79%	0.79	S	S	*	*			cis	-178.6	158.2	-17.4	52.4	0	0	0	0	106.7
458	S	38.9	Very low	38.9	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	80%	0.799	S	S	*	*			cis	-147.1	-174.4	21.3	-62.2	0	0	0	0	108.7
459	S	41.6	Very low	39	Very low	113 Å²	113	135 Å²	135	79%	0.79	80%	0.797	S	S	*	*			cis	72	149.1	20.9	-69	0	0	0	0	116.9
460	P	46.3	Very low	39.7	Very low	126 Å²	126	132.2 Å²	132.2	82%	0.818	80%	0.795	S	S	*	*			cis	-137	-173.3	8.4	42.5	-23.4	0	0	0	117.6
461	S	35.2	Very low	39.5	Very low	118 Å²	118	133.3 Å²	133.3	83%	0.825	80%	0.8	S	S	*	*			trans	-103.9	178.1	-178.2	-33	0	0	0	0	114.7
462	V	39.1	Very low	39.7	Very low	128 Å²	128	134.9 Å²	134.9	78%	0.776	80%	0.798	S	S	*	*			trans	-175.6	142.9	162	127.2	0	0	0	0	107.3
463	R	37.8	Very low	39.9	Very low	224 Å²	224	133.2 Å²	133.2	85%	0.845	79%	0.791	S	S	*	*			cis	-154.9	-172.3	-3.9	-129	171.5	-169.7	160.1	3	109.8
464	M	33.6	Very low	40.1	Very low	162 Å²	162	135 Å²	135	80%	0.798	79%	0.786	S	S	*	*			trans	-133.5	172.5	163.9	-62.7	-158.2	-55.1	0	0	111.1
465	I	40.7	Very low	40.4	Very low	167 Å²	167	135.6 Å²	135.6	86%	0.856	79%	0.787	S	S	*	*			trans	-161.9	157.5	151.5	-101	149.4	0	0	0	109.8
466	T	35	Very low	40.3	Very low	109 Å²	109	137.5 Å²	137.5	67%	0.669	80%	0.795	S	S	*	*			trans	-143.1	-178.7	-167.8	49.1	0	0	0	0	113.6
467	T	37.2	Very low	40.1	Very low	126 Å²	126	137 Å²	137	77%	0.773	79%	0.793	S	S	*	*			trans	94.1	113	156.9	61.4	0	0	0	0	123.1
468	S	39.1	Very low	39.8	Very low	124 Å²	124	135.6 Å²	135.6	87%	0.867	78%	0.783	S	S	*	*				69.9	132.4	128.7	65.1	0	0	0	0	124.8
469	G	38.8	Very low	39.8	Very low	77 Å²	77	139.3 Å²	139.3	79%	0.794	79%	0.789	S	S	*	*			trans	164.1	112.2	159	0	0	0	0	0	114.7
470	P	50.6	Low	39.6	Very low	119 Å²	119	138.9 Å²	138.9	77%	0.773	78%	0.783	S	S	*	*			trans	-123.5	166.2	-175.2	41.6	-31.5	0	0	0	116.1
471	T	42.4	Very low	39	Very low	133 Å²	133	144.2 Å²	144.2	82%	0.816	79%	0.787	S	S	*	*			trans	171.6	143.5	135.6	45.3	0	0	0	0	114.7
472	S	42.7	Very low	39.3	Very low	107 Å²	107	144.2 Å²	144.2	75%	0.748	78%	0.783	S	S	*	*			trans	66.6	144.1	143.4	-76.1	0	0	0	0	122
473	E	40.2	Very low	39.4	Very low	162 Å²	162	143.8 Å²	143.8	76%	0.757	78%	0.782	S	S	*	*			cis	-143.4	143	-6.8	-68.2	-145.5	116.9	0	0	114.9
474	K	41	Very low	39.3	Very low	190 Å²	190	140.9 Å²	140.9	83%	0.826	78%	0.784	S	S	*	*			trans	29.5	148.7	145.2	-74.3	175.6	177.1	167.6	0	126.4
475	P	42.9	Very low	39.5	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	78%	0.783	S	S	*	*			trans	-121.8	175.8	178.9	45.2	-34.3	0	0	0	116.4
476	T	39.3	Very low	39.4	Very low	138 Å²	138	136.4 Å²	136.4	85%	0.847	77%	0.771	S	S	*	*			trans	-147.4	169	149.3	71.8	0	0	0	0	109.1
477	R	38.2	Very low	39.5	Very low	231 Å²	231	137 Å²	137	87%	0.872	78%	0.775	S	S	*	*			cis	-138.5	-99.5	0.9	-160.9	-173.9	172.6	129.6	3.3	113.9
478	S	36.4	Very low	39.4	Very low	73 Å²	73	137.5 Å²	137.5	51%	0.51	77%	0.773	S	S	.	*			trans	-166.5	148	-167.2	55.3	0	0	0	0	113.1
479	H	38.5	Very low	39.2	Very low	180 Å²	180	137.7 Å²	137.7	83%	0.833	77%	0.769	S	S	*	*				180	125.1	120	-94.8	-65.8	0	0	0	112.1
480	P	37.3	Very low	39	Very low	105 Å²	105	142.3 Å²	142.3	68%	0.682	78%	0.776	S	S	*	*			trans	-121.9	-173.6	175.2	37.6	-23	0	0	0	114.4
481	W	33.6	Very low	38.1	Very low	238 Å²	238	140.2 Å²	140.2	90%	0.902	78%	0.776	S	S	*	*			trans	102.1	142.1	176	-68.4	31.8	0	0	0	115
482	T	40.3	Very low	37.7	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.724	78%	0.778	S	S	*	*			cis	-158.6	159.8	-16.6	19.3	0	0	0	0	109.2
483	P	41.1	Very low	37	Very low	118 Å²	118	142.1 Å²	142.1	77%	0.766	78%	0.783	S	S	*	*			trans	-107.4	164.9	-175.2	40.9	-34.1	0	0	0	115.6
484	D	37.2	Very low	36.6	Very low	164 Å²	164	141.8 Å²	141.8	88%	0.877	79%	0.786	S	S	*	*			trans	-174	154	157.6	-91.3	-27.1	0	0	0	106.3
485	D	36.5	Very low	36.1	Very low	146 Å²	146	138 Å²	138	78%	0.781	78%	0.784	S	S	*	*			cis	-162.1	-177.8	-20	-177.9	27.1	0	0	0	107.6
486	S	38.7	Very low	35.4	Very low	88 Å²	88	140 Å²	140	62%	0.615	79%	0.786	S	S	*	*			trans	99.9	111.2	165	74.3	0	0	0	0	119.9
487	T	38.3	Very low	35.1	Very low	123 Å²	123	138.3 Å²	138.3	76%	0.755	78%	0.777	S	S	*	*			trans	59.2	134	133.3	60.4	0	0	0	0	120.5
488	D	34.9	Very low	34.7	Very low	136 Å²	136	135.1 Å²	135.1	73%	0.727	77%	0.774	S	S	*	*			cis	-164.7	175.4	-2.7	-134.8	-45.4	0	0	0	113.9
489	T	35.2	Very low	34.3	Very low	127 Å²	127	135.5 Å²	135.5	78%	0.779	78%	0.782	S	S	*	*			trans	65.1	113.9	163.3	54.4	0	0	0	0	120.1
490	N	33.4	Very low	33.7	Very low	174 Å²	174	134.2 Å²	134.2	93%	0.93	77%	0.771	S	S	*	*			trans	-62.3	151.3	164.9	-59.9	-66	0	0	0	114.1
491	G	31.7	Very low	33.1	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	78%	0.778	S	S	*	*			trans	-159.9	111.9	161.4	0	0	0	0	0	110.8
492	S	33.6	Very low	32.7	Very low	123 Å²	123	131.7 Å²	131.7	86%	0.86	77%	0.773	S	S	*	*			trans	-83.9	116.4	-173	56.4	0	0	0	0	112.6	N494	S492-N494 PolarHBondContact O-N 3.24Å
493	D	29.9	Very low	32.1	Very low	157 Å²	157	132.4 Å²	132.4	84%	0.84	77%	0.772	S	S	*	*			trans	-90.8	100.7	178.1	-164.9	3.9	0	0	0	111.1
494	N	30.3	Very low	31.5	Very low	154 Å²	154	133.9 Å²	133.9	82%	0.824	77%	0.773	S	S	*	*			trans	-163	66.9	-179.3	-145.3	-2.8	0	0	0	113.2	S492	S492-N494 PolarHBondContact O-N 3.24Å
495	S	30.6	Very low	31.5	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	77%	0.767	S	S	*	*			trans	-143.2	106.3	178.8	58.5	0	0	0	0	115.5
496	I	27.6	Very low	31.1	Very low	159 Å²	159	135.4 Å²	135.4	82%	0.815	77%	0.77	S	S	*	*			trans	-86.6	162.9	162.6	-64.8	164.4	0	0	0	108
497	P	34.4	Very low	30.8	Very low	102 Å²	102	137.7 Å²	137.7	66%	0.662	78%	0.775	S	S	*	*			cis	-123.7	-167.9	-12.7	30.9	-9.7	0	0	0	112.8
498	M	28.3	Very low	30.4	Very low	164 Å²	164	139.2 Å²	139.2	81%	0.808	77%	0.773	S	S	*	*				-178.7	157.8	109.3	-95.1	-58.5	-86.2	0	0	115.5
499	A	28.8	Very low	30.3	Very low	81 Å²	81	137.5 Å²	137.5	67%	0.669	78%	0.778	S	S	*	*			trans	-45	149.8	-168.8	0	0	0	0	0	119.3
500	Y	25.2	Very low	30	Very low	154 Å²	154	141.7 Å²	141.7	60%	0.604	78%	0.78	S	S	*	*			trans	-102	143.9	153.7	-91.7	-112	0	0	0	109.6	K190	K190-Y500 HydrophobicContact CD-CE1 4.39Å; K190-Y500 VanDerWaalsContact CD-OH 3.32Å; K190-Y500 WeakPolarHBondContact CD-OH 3.48Å; K190-Y500 WeakPolarHBondContact CG-OH 3.49Å
501	L	25.4	Very low	30.1	Very low	159 Å²	159	139.2 Å²	139.2	83%	0.832	77%	0.771	S	S	*	*			trans	-106.9	118.4	158.6	-74.7	171.8	0	0	0	108.4
502	T	26.4	Very low	30.1	Very low	130 Å²	130	141.2 Å²	141.2	80%	0.798	77%	0.773	S	S	*	*			trans	-75.2	121.2	164.1	44.1	0	0	0	0	108.6
503	L	26.9	Very low	30.2	Very low	133 Å²	133	140.6 Å²	140.6	70%	0.696	77%	0.767	S	S	*	*			trans	-125.5	91.3	171	-96.8	166.3	0	0	0	109.2	H505	L503-H505 PolarHBondContact O-N 3.25Å
504	D	28.3	Very low	30.5	Very low	149 Å²	149	144.8 Å²	144.8	80%	0.797	77%	0.771	S	S	*	*			trans	-58.6	131.9	156.2	-66.4	-70.2	0	0	0	108.4
505	H	36.7	Very low	31	Very low	163 Å²	163	143.7 Å²	143.7	76%	0.755	77%	0.77	S	S	*	*			trans	-119.7	103.5	170.5	-97.8	23.5	0	0	0	110.1	L503 L507	L503-H505 PolarHBondContact O-N 3.25Å; H505-L507 PolarHBondContact O-N 3.48Å
506	Q	27.6	Very low	31.5	Very low	180 Å²	180	141.3 Å²	141.3	84%	0.841	76%	0.763	S	S	*	*			trans	-65	120.9	167.9	-58.5	173.7	2.1	0	0	108.9
507	L	32.4	Very low	32.2	Very low	136 Å²	136	140.6 Å²	140.6	71%	0.712	77%	0.769	S	S	*	*			trans	-130.9	122	153.2	-75.5	177.8	0	0	0	108	V41 H505	V41-L507 WeakPolarHBondContact O-CD1 3.43Å; H505-L507 PolarHBondContact O-N 3.48Å
508	Q	30.6	Very low	32.4	Very low	155 Å²	155	143 Å²	143	72%	0.724	81%	0.812	S	S	*	*			trans	-80.5	121.3	179.2	-68.8	178.3	-16.6	0	0	109.4	R510	Q508-R510 VanDerWaalsContact C-N 3.25Å; Q508-R510 PolarHBondContact O-N 3.39Å
509	A	32.1	Very low	32.6	Very low	100 Å²	100	141.9 Å²	141.9	83%	0.826	81%	0.812	S	S	*	*			trans	-68.5	86	163.6	0	0	0	0	0	109.3	T511	A509-T511 PolarHBondContact O-N 3.33Å
510	R	30.9	Very low	32.8	Very low	215 Å²	215	145.1 Å²	145.1	81%	0.811	82%	0.819	S	S	*	*			trans	-67	106.3	175.3	-82.9	-173.4	162.2	-155	-8.1	109.5	Q508 S512	Q508-R510 VanDerWaalsContact C-N 3.25Å; Q508-R510 PolarHBondContact O-N 3.39Å; R510-S512 PolarHBondContact O-N 3.48Å; R510-S512 VanDerWaalsContact O-N 3.13Å
511	T	33.8	Very low	33.2	Very low	122 Å²	122	144.6 Å²	144.6	75%	0.748	83%	0.831	S	S	*	*			trans	-64.6	110.4	175.5	48.5	0	0	0	0	110.6	A509 C513	A509-T511 PolarHBondContact O-N 3.33Å; T511-C513 PolarHBondContact O-N 3.4Å
512	S	33.4	Very low	33.7	Very low	118 Å²	118	143.8 Å²	143.8	83%	0.825	83%	0.831	S	S	*	*			trans	-66.1	94.6	171.2	-67.4	0	0	0	0	110.6	R510 R514	R510-S512 PolarHBondContact O-N 3.48Å; R510-S512 VanDerWaalsContact O-N 3.13Å; S512-R514 PolarHBondContact O-N 3.37Å
513	C	34.1	Very low	34.2	Very low	109 Å²	109	144.6 Å²	144.6	74%	0.736	83%	0.833	S	S	*	*			trans	-59	101.3	171.9	-66.9	0	0	0	0	109.9	T511 T515	T511-C513 PolarHBondContact O-N 3.4Å; C513-T515 VanDerWaalsContact C-N 3.34Å; C513-T515 PolarHBondContact O-N 3.31Å
514	R	36.9	Very low	34.6	Very low	246 Å²	246	145.4 Å²	145.4	93%	0.928	84%	0.842	S	S	*	*			trans	-79.4	80.2	-175.9	-164.9	-177.9	-169.1	-163.3	4.1	110.8	S512 G516	S512-R514 PolarHBondContact O-N 3.37Å; R514-G516 PolarHBondContact O-N 3.07Å; R514-G516 VanDerWaalsContact O-N 3.1Å
515	T	40.8	Very low	35.1	Very low	131 Å²	131	145.1 Å²	145.1	80%	0.804	85%	0.846	S	S	*	*			trans	-60.4	109.5	169.3	51.5	0	0	0	0	109.7	C513	C513-T515 VanDerWaalsContact C-N 3.34Å; C513-T515 PolarHBondContact O-N 3.31Å
516	G	40.9	Very low	35	Very low	61 Å²	61	143.8 Å²	143.8	63%	0.629	85%	0.853	S	S	*	*			trans	-74.1	152.1	167.1	0	0	0	0	0	110.8	R514	R514-G516 PolarHBondContact O-N 3.07Å; R514-G516 VanDerWaalsContact O-N 3.1Å
517	P	41.7	Very low	35.6	Very low	145 Å²	145	140.8 Å²	140.8	94%	0.942	85%	0.854	S	S	*	*			trans	-75.3	125.4	171.2	30.8	-32.2	0	0	0	110.2
518	G	39.7	Very low	35.9	Very low	151 Å²	151	141.2 Å²	141.2	100%	1.557	87%	0.866	S	S	*	*			trans	-177.5	0	178.2	0	0	0	0	0	110.7

Retrieved 518 of 518 residues in 106.6 ms (Link to these results)

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