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Isoform 1C of Mitogen-activated protein kinase kinase kinase 7 AlphaSync

Canonical isoform description: Serine/threonine kinase which acts as an essential component of the MAP kinase signal transduction pathway^{1,2,3,4,5,6,7,8}. Plays an important role in the cascades of cellular responses evoked by changes in the environment^{9,10,11,12,13,14,15,16}. Mediates signal transduction of TRAF6, various cytokines including interleukin-1 (IL-1), transforming growth factor-beta (TGFB), TGFB-related factors like BMP2 and BMP4, toll-like receptors (TLR), tumor necrosis factor receptor CD40 and B-cell receptor (BCR)^17,18. Once activated, acts as an upstream activator of the MKK/JNK signal transduction cascade and the p38 MAPK signal transduction cascade through the phosphorylation and activation of several MAP kinase kinases like MAP2K1/MEK1, MAP2K3/MKK3, MAP2K6/MKK6 and MAP2K7/MKK7^19,20. These MAP2Ks in turn activate p38 MAPKs and c-jun N-terminal kinases (JNKs); both p38 MAPK and JNK pathways control the transcription factors activator protein-1 (AP-1)^21,22,23. Independently of MAP2Ks and p38 MAPKs, acts as a key activator of NF-kappa-B by promoting activation of the I-kappa-B-kinase (IKK) core complex^24,25. Mechanistically, recruited to polyubiquitin chains of RIPK2 and IKBKG/NEMO via TAB2/MAP3K7IP2 and TAB3/MAP3K7IP3, and catalyzes phosphorylation and activation of IKBKB/IKKB component of the IKK complex, leading to NF-kappa-B activation^26,27. In osmotic stress signaling, plays a major role in the activation of MAPK8/JNK1, but not that of NF-kappa-B²⁸. Promotes TRIM5 capsid-specific restriction activity²⁹. Phosphorylates RIPK1 at 'Ser-321' which positively regulates RIPK1 interaction with RIPK3 to promote necroptosis but negatively regulates RIPK1 kinase activity and its interaction with FADD to mediate apoptosis (By similarity). Phosphorylates STING1 in response to cGAMP-activation, promoting association between STEEP1 and STING1 and STING1 translocation to COPII vesicles³⁰.

AlphaFold DB , UniProt , Accession O43318-3 (canonical: O43318), Species HUMAN (Homo sapiens, Human), 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 1716.2 ms (Link to these results)

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