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Mitogen-activated protein kinase kinase kinase 7

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, Species HUMAN (Homo sapiens, Human), Gene MAP3K7, Length 606 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	37.1	Very low	238 Å²	238	120 Å²	120	100%	1.172	82%	0.817	S	S	*	*				0	90.8	0	-67.2	-176	173.2	0	0	105.9
2	S	37	Very low	37.1	Very low	112 Å²	112	119.4 Å²	119.4	78%	0.783	82%	0.815	S	S	*	*				68	126.7	100	-66.1	0	0	0	0	111.5
3	T	35.9	Very low	36.9	Very low	133 Å²	133	118 Å²	118	82%	0.816	81%	0.806	S	S	*	*			cis	-171.6	150.3	8.5	14.7	0	0	0	0	106.7
4	A	35	Very low	36.6	Very low	102 Å²	102	117.9 Å²	117.9	84%	0.843	81%	0.807	S	S	*	*			trans	-76.2	164.2	174.9	0	0	0	0	0	113.4
5	S	41.7	Very low	36.7	Very low	125 Å²	125	117.4 Å²	117.4	87%	0.874	81%	0.814	S	S	*	*			trans	-152.3	135	145.3	-174.2	0	0	0	0	110.1
6	A	35.7	Very low	36.7	Very low	90 Å²	90	114.9 Å²	114.9	74%	0.744	81%	0.813	S	S	*	*			trans	-111.2	162.5	-175.6	0	0	0	0	0	110.6
7	A	37	Very low	36.2	Very low	92 Å²	92	118.8 Å²	118.8	76%	0.76	82%	0.815	S	S	*	*				158.7	154.8	123.1	0	0	0	0	0	114.5
8	S	38.3	Very low	35.9	Very low	117 Å²	117	122.6 Å²	122.6	82%	0.818	82%	0.821	S	S	*	*			trans	89.2	135	164.2	75.8	0	0	0	0	117.8
9	S	37.7	Very low	35.8	Very low	101 Å²	101	124 Å²	124	71%	0.706	82%	0.818	S	S	*	*			cis	-177.9	133.5	-17.8	40.9	0	0	0	0	109.3
10	S	37	Very low	35.5	Very low	103 Å²	103	127.1 Å²	127.1	72%	0.72	82%	0.82	S	S	*	*			trans	52.8	109.7	141.7	63.7	0	0	0	0	124.6
11	S	33.7	Very low	35.4	Very low	107 Å²	107	124.6 Å²	124.6	75%	0.748	81%	0.811	S	S	*	*				67.4	139.9	114.7	70.1	0	0	0	0	125.7
12	S	36.6	Very low	35	Very low	113 Å²	113	118.6 Å²	118.6	79%	0.79	79%	0.789	S	S	*	*			trans	83.6	142.8	152.9	80.5	0	0	0	0	118.8
13	S	34.7	Very low	35.1	Very low	101 Å²	101	118.8 Å²	118.8	71%	0.706	79%	0.791	S	S	*	*			cis	-176.3	146	-16.3	44	0	0	0	0	108.7
14	S	32.8	Very low	35.8	Very low	116 Å²	116	117.5 Å²	117.5	81%	0.811	78%	0.776	S	S	*	*			trans	60.2	117.6	147.8	67.3	0	0	0	0	123.1
15	A	38.2	Very low	36.7	Very low	111 Å²	111	118.6 Å²	118.6	92%	0.917	77%	0.771	S	S	*	*			trans	-177.8	127.5	133.5	0	0	0	0	0	108.3
16	G	35.7	Very low	37.8	Very low	77 Å²	77	115.4 Å²	115.4	79%	0.794	74%	0.744	S	S	*	*			cis	-172.2	142.6	0.1	0	0	0	0	0	107.7
17	E	29.3	Very low	39.7	Very low	182 Å²	182	117.5 Å²	117.5	85%	0.85	74%	0.743	S	S	*	*			trans	-62.6	131.7	-172.5	-69.7	155.8	130.2	0	0	114.1	I19	E17-I19 HydrophobicContact CB-CG1 4.39Å
18	M	30.8	Very low	42	Very low	187 Å²	187	116 Å²	116	92%	0.921	72%	0.72	S	S	*	*			trans	-97.8	103.6	151.8	-80	-178.6	50.9	0	0	107.7	E20	M18-E20 PolarHBondContact O-N 3.06Å
19	I	34.3	Very low	44.6	Very low	149 Å²	149	114.2 Å²	114.2	76%	0.764	70%	0.698	S	S	*	*			trans	-68.8	99.7	175.6	-62.4	170.9	0	0	0	108.2	E17 A21	E17-I19 HydrophobicContact CB-CG1 4.39Å; I19-A21 PolarHBondContact O-N 3Å
20	E	29.3	Very low	47.3	Very low	186 Å²	186	115.5 Å²	115.5	87%	0.869	69%	0.693	S	S	*	*			trans	-67	107.5	165.7	-156.5	168.9	-152.7	0	0	107.5	M18	M18-E20 PolarHBondContact O-N 3.06Å
21	A	33.1	Very low	50	Low	74 Å²	74	110.9 Å²	110.9	61%	0.612	66%	0.66	S	S	*	*			trans	-59.5	138.5	178.6	0	0	0	0	0	109.8	I19 S23	I19-A21 PolarHBondContact O-N 3Å; A21-S23 PolarHBondContact O-N 3.46Å
22	P	31.5	Very low	53	Low	112 Å²	112	109.8 Å²	109.8	73%	0.727	65%	0.646	S	S	*	*			trans	-59.3	131.4	-173.7	23.8	-32	0	0	0	109.9	Q24	P22-Q24 VanDerWaalsContact C-N 3.31Å; P22-Q24 PolarHBondContact O-N 3.47Å
23	S	38.4	Very low	55.8	Low	117 Å²	117	107.3 Å²	107.3	82%	0.818	62%	0.62	S	S	*	*			trans	-54.5	90.4	174	41	0	0	0	0	110.3	A21 V25	A21-S23 PolarHBondContact O-N 3.46Å; S23-V25 PolarHBondContact O-N 3.22Å; S23-V25 VanDerWaalsContact O-N 3.14Å
24	Q	50.7	Low	58.7	Low	105 Å²	105	111.3 Å²	111.3	49%	0.491	63%	0.625	S	S	.	*			trans	-58.6	115.5	166.2	-77.6	175.3	-20.6	0	0	107	P22 L26	P22-Q24 VanDerWaalsContact C-N 3.31Å; P22-Q24 PolarHBondContact O-N 3.47Å; Q24-L26 PolarHBondContact O-N 3.44Å
25	V	53.7	Low	61.7	Low	125 Å²	125	110 Å²	110	76%	0.758	61%	0.605	S	S	*	*			trans	-54	112.6	175.4	-177.3	0	0	0	0	107.6	S23 N27	S23-V25 PolarHBondContact O-N 3.22Å; S23-V25 VanDerWaalsContact O-N 3.14Å; V25-N27 PolarHBondContact O-N 3.3Å
26	L	64.6	Low	64.6	Low	58 Å²	58	105.4 Å²	105.4	30%	0.304	57%	0.566	S	S	.	*			trans	-73.1	111.1	176.1	-64.4	177.2	0	0	0	107.4	Q24 F28 R79	Q24-L26 PolarHBondContact O-N 3.44Å; L26-F28 HydrophobicContact CB-CD1 3.66Å; L26-F28 HydrophobicContact CB-CE1 3.7Å; L26-F28 HydrophobicContact CD1-CE1 4.21Å; L26-F28 PolarHBondContact O-N 3.12Å; L26-R79 HydrophobicContact CD2-CB 3.8Å; L26-R79 HydrophobicContact CD2-CG 3.69Å
27	N	75.4	Confident	67.5	Low	135 Å²	135	107.8 Å²	107.8	72%	0.722	56%	0.556	S	S	*	*			trans	-83	90.5	176.7	-69.9	-17.3	0	0	0	109.3	V25	V25-N27 PolarHBondContact O-N 3.3Å
28	F	85.4	Confident	70.7	Confident	60 Å²	60	101.9 Å²	101.9	26%	0.263	53%	0.532	S	S	.	.			trans	-136.4	156.7	169.7	66.2	-89.1	0	0	0	110.6	L26 E30 L78 A95	L26-F28 HydrophobicContact CB-CD1 3.66Å; L26-F28 HydrophobicContact CB-CE1 3.7Å; L26-F28 HydrophobicContact CD1-CE1 4.21Å; L26-F28 PolarHBondContact O-N 3.12Å; F28-E30 HydrophobicContact CE2-CB 4.5Å; F28-L78 HydrophobicContact CB-CD1 4.4Å; F28-L78 HydrophobicContact CD1-CD1 4.12Å; F28-L78 HydrophobicContact CD1-CD2 4.31Å; F28-L78 HydrophobicContact CD1-CG 4.35Å; F28-L78 HydrophobicContact CD2-CD1 4.39Å; F28-L78 HydrophobicContact CE1-CD2 3.9Å; F28-L78 HydrophobicContact CE1-CG 4.38Å; F28-L78 HydrophobicContact CE2-CD2 4.41Å; F28-L78 HydrophobicContact CG-CD1 4.05Å; F28-L78 HydrophobicContact CZ-CD2 3.96Å; F28-A95 HydrophobicContact CD2-CB 3.96Å; F28-A95 HydrophobicContact CE2-CB 4Å
29	E	93.1	Very high	73.7	Confident	79 Å²	79	96.3 Å²	96.3	37%	0.369	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.7	172	-173.5	172.7	174.1	0	0	109.2	I31 R56 G94 A95	E29-I31 HydrophobicContact CG-CG1 4.18Å; E29-I31 PolarHBondContact O-N 3.33Å; E29-R56 IonicContact OE1-CZ 3.3Å; E29-R56 VanDerWaalsContact OE1-CZ 3.26Å; E29-R56 IonicContact OE1-NH1 2.73Å; E29-R56 PolarHBondContact OE1-NH1 2.86Å; E29-R56 IonicContact OE1-NH2 2.75Å; E29-R56 PolarHBondContact OE1-NH2 3.37Å; E29-R56 IonicContact OE2-NH1 3.81Å; E29-G94 CarbonylContact O-C 3.54Å; E29-G94 WeakPolarHBondContact O-CA 3.47Å; E29-A95 PolarHBondContact O-N 3.46Å
30	E	94.1	Very high	76.6	Confident	129 Å²	129	94.9 Å²	94.9	60%	0.603	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.8	168.4	-172.3	174.7	167.4	0	0	108.6	F28 A95 L97	F28-E30 HydrophobicContact CE2-CB 4.5Å; E30-A95 WeakPolarHBondContact CA-O 3.13Å; E30-L97 HydrophobicContact CG-CD1 4.43Å; E30-L97 HydrophobicContact CG-CG 4.36Å; E30-L97 WeakPolarHBondContact OE1-CD1 3.48Å
31	I	95.6	Very high	79.6	Confident	5 Å²	5	90.1 Å²	90.1	3%	0.026	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-103.6	130.9	-175.6	-63.9	168.9	0	0	0	108.6	E29 Y33 I36 W55 A95 C96 V103	E29-I31 HydrophobicContact CG-CG1 4.18Å; E29-I31 PolarHBondContact O-N 3.33Å; I31-Y33 PolarHBondContact O-N 2.85Å; I31-I36 HydrophobicContact CG2-CD1 4.07Å; I31-I36 HydrophobicContact CG2-CG1 4.17Å; I31-W55 HydrophobicContact CD1-CD2 4.18Å; I31-W55 HydrophobicContact CD1-CE3 4.41Å; I31-W55 HydrophobicContact CD1-CH2 3.86Å; I31-W55 HydrophobicContact CD1-CZ2 3.6Å; I31-W55 HydrophobicContact CD1-CZ3 4.27Å; I31-W55 HydrophobicContact CG1-CH2 4.33Å; I31-W55 HydrophobicContact CG1-CZ2 3.71Å; I31-W55 HydrophobicContact CG2-CZ2 4.44Å; I31-A95 PolarHBondContact N-O 3.28Å; I31-C96 PolarHBondContact O-SG 2.9Å; I31-V103 HydrophobicContact CD1-CB 3.72Å; I31-V103 HydrophobicContact CD1-CG1 4.04Å; I31-V103 HydrophobicContact CD1-CG2 3.72Å
32	D	95.5	Very high	82.2	Confident	85 Å²	85	88.7 Å²	88.7	46%	0.455	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-69.1	121.5	168.8	-175.4	-7.3	0	0	0	108.7	K34 E35	D32-K34 PolarHBondContact O-N 3.43Å; D32-K34 WeakPolarHBondContact OD1-CB 3.26Å; D32-K34 WeakPolarHBondContact OD1-CG 3.29Å; D32-K34 PolarHBondContact OD1-N 3.3Å; D32-E35 HydrophobicContact CB-CG 4.28Å; D32-E35 WeakPolarHBondContact O-CB 3.48Å; D32-E35 PolarHBondContact O-N 3.14Å
33	Y	95.9	Very high	84.4	Confident	61 Å²	61	84.6 Å²	84.6	24%	0.239	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-57.9	-23.9	180	-170.2	-101.2	0	0	0	112.5	I31 E35 I36 Q64 C96 P99	I31-Y33 PolarHBondContact O-N 2.85Å; Y33-E35 PolarHBondContact O-N 2.84Å; Y33-I36 HydrophobicContact CD2-CD1 4.23Å; Y33-I36 WeakPolarHBondContact O-CB 3.5Å; Y33-I36 PolarHBondContact O-N 2.9Å; Y33-I36 VanDerWaalsContact O-N 3.12Å; Y33-Q64 PolarHBondContact OH-OE1 2.84Å; Y33-C96 HydrophobicContact CD2-CB 4.3Å; Y33-P99 HydrophobicContact CD1-CG 4.08Å; Y33-P99 HydrophobicContact CD2-CG 3.7Å; Y33-P99 HydrophobicContact CE1-CG 3.94Å; Y33-P99 HydrophobicContact CE2-CG 3.55Å; Y33-P99 VanDerWaalsContact CG-CD 3.48Å; Y33-P99 HydrophobicContact CG-CG 3.96Å
34	K	95.8	Very high	86.3	Confident	185 Å²	185	87.2 Å²	87.2	80%	0.804	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-66	-19.3	174.1	-64.3	175.5	-176.3	170.6	0	113.8	D32	D32-K34 PolarHBondContact O-N 3.43Å; D32-K34 WeakPolarHBondContact OD1-CB 3.26Å; D32-K34 WeakPolarHBondContact OD1-CG 3.29Å; D32-K34 PolarHBondContact OD1-N 3.3Å
35	E	96.3	Very high	87	Confident	87 Å²	87	84 Å²	84	41%	0.407	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-79.2	-6.7	174.4	-63.2	-174.5	-175.2	0	0	113	D32 Y33 W55 R56	D32-E35 HydrophobicContact CB-CG 4.28Å; D32-E35 WeakPolarHBondContact O-CB 3.48Å; D32-E35 PolarHBondContact O-N 3.14Å; Y33-E35 PolarHBondContact O-N 2.84Å; E35-W55 PolarHBondContact OE2-NE1 2.95Å; E35-R56 IonicContact OE2-CZ 2.75Å; E35-R56 IonicContact OE2-NE 2.68Å; E35-R56 PolarHBondContact OE2-NE 2.75Å; E35-R56 IonicContact OE2-NH2 3.21Å; E35-R56 PolarHBondContact OE2-NH2 2.73Å
36	I	97.3	Very high	87.4	Confident	16 Å²	16	80.2 Å²	80.2	8%	0.082	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.3	-173.2	-55.5	179.6	0	0	0	109.9	I31 Y33 V38 A53 K54 W55 I62 C96 V103	I31-I36 HydrophobicContact CG2-CD1 4.07Å; I31-I36 HydrophobicContact CG2-CG1 4.17Å; Y33-I36 HydrophobicContact CD2-CD1 4.23Å; Y33-I36 WeakPolarHBondContact O-CB 3.5Å; Y33-I36 PolarHBondContact O-N 2.9Å; Y33-I36 VanDerWaalsContact O-N 3.12Å; I36-V38 HydrophobicContact CG2-CG2 4.19Å; I36-A53 HydrophobicContact CG2-CB 3.71Å; I36-K54 WeakPolarHBondContact CA-O 3.4Å; I36-W55 HydrophobicContact CG1-CB 4.49Å; I36-I62 HydrophobicContact CD1-CG2 4.33Å; I36-I62 HydrophobicContact CG2-CD1 4.48Å; I36-I62 HydrophobicContact CG2-CG2 4.05Å; I36-C96 VanDerWaalsContact CD1-SG 3.51Å; I36-V103 HydrophobicContact CD1-CG2 3.65Å
37	E	97	Very high	87.6	Confident	126 Å²	126	78.7 Å²	78.7	59%	0.589	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	100.6	170.9	-176.4	-177.3	-179.3	0	0	108.9	A53 K54	E37-A53 CarbonylContact O-C 3.45Å; E37-A53 WeakPolarHBondContact O-CA 3.49Å; E37-A53 VanDerWaalsContact O-CB 3.28Å; E37-A53 WeakPolarHBondContact O-CB 3.34Å; E37-K54 HydrophobicContact CB-CB 4.32Å; E37-K54 PolarHBondContact N-O 3.43Å; E37-K54 PolarHBondContact O-N 3.3Å
38	V	96.2	Very high	87.7	Confident	59 Å²	59	72.4 Å²	72.4	36%	0.358	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.1	179.8	-172.5	0	0	0	0	110.2	I36 C51 I62	I36-V38 HydrophobicContact CG2-CG2 4.19Å; V38-C51 HydrophobicContact CG1-CB 3.86Å; V38-I62 HydrophobicContact CB-CD1 4.39Å; V38-I62 HydrophobicContact CG1-CD1 4Å; V38-I62 HydrophobicContact CG2-CD1 3.57Å
39	E	95.7	Very high	87.8	Confident	70 Å²	70	70.2 Å²	70.2	33%	0.327	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-109.8	177.8	-59.6	-174.2	160.8	0	0	110.2	K52 K54	E39-K52 WeakPolarHBondContact CA-O 3.46Å; E39-K52 WeakPolarHBondContact CB-O 3.47Å; E39-K52 PolarHBondContact N-O 3.29Å; E39-K52 WeakPolarHBondContact OE2-CD 3.44Å; E39-K52 WeakPolarHBondContact OE2-CE 3.28Å; E39-K52 IonicContact OE2-NZ 3.11Å; E39-K52 PolarHBondContact OE2-NZ 3.27Å; E39-K54 WeakPolarHBondContact OE1-CE 2.92Å; E39-K54 IonicContact OE1-NZ 3.77Å; E39-K54 PolarHBondContact OE1-NZ 3.03Å
40	E	93.3	Very high	87.8	Confident	118 Å²	118	68 Å²	68	55%	0.551	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	153.1	-174.2	66.5	-170.3	161.8	0	0	113.1	V42 C51 K52	E40-V42 HydrophobicContact CG-CG1 4.23Å; E40-V42 PolarHBondContact O-N 2.8Å; E40-C51 CarbonylContact O-C 3.53Å; E40-C51 VanDerWaalsContact O-CA 3.28Å; E40-C51 WeakPolarHBondContact O-CA 3.15Å; E40-K52 HydrophobicContact CG-CB 4.19Å; E40-K52 PolarHBondContact O-N 3.31Å
41	V	92.2	Very high	87.8	Confident	86 Å²	86	62.2 Å²	62.2	52%	0.521	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121	171	177	0	0	0	0	108.9	V49	V41-V49 HydrophobicContact CB-CG2 4.48Å; V41-V49 HydrophobicContact CG1-CG2 3.54Å; V41-V49 HydrophobicContact CG2-CG2 4.15Å
42	V	87.8	Confident	87.9	Confident	44 Å²	44	63.8 Å²	63.8	27%	0.267	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-22.8	-178.3	-64.4	0	0	0	0	113.2	E40 V50 K52 Y106 N420	E40-V42 HydrophobicContact CG-CG1 4.23Å; E40-V42 PolarHBondContact O-N 2.8Å; V42-V50 HydrophobicContact CG2-CB 4.02Å; V42-V50 HydrophobicContact CG2-CG1 3.62Å; V42-V50 VanDerWaalsContact CG2-O 3.29Å; V42-V50 WeakPolarHBondContact CG2-O 3.34Å; V42-V50 PolarHBondContact N-O 2.75Å; V42-K52 HydrophobicContact CG1-CB 3.82Å; V42-Y106 HydrophobicContact CG1-CE2 4.3Å; V42-N420 PolarHBondContact O-ND2 3.22Å
43	G	78.7	Confident	88	Confident	26 Å²	26	59.7 Å²	59.7	27%	0.268	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	161.7	178	0	0	0	0	0	113.2	V50	G43-V50 PolarHBondContact N-O 3.14Å; G43-V50 PolarHBondContact O-N 3.41Å
44	R	77.7	Confident	88.1	Confident	172 Å²	172	60.5 Å²	60.5	65%	0.649	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	122.5	168	-70.3	176.5	179.1	-98.7	-2.9	107.1	V49 E66	R44-V49 HydrophobicContact CG-CG2 4.29Å; R44-E66 IonicContact CZ-OE1 3.49Å; R44-E66 VanDerWaalsContact NH1-CD 3.25Å; R44-E66 IonicContact NH1-OE1 2.73Å; R44-E66 PolarHBondContact NH1-OE1 2.95Å; R44-E66 IonicContact NH1-OE2 3.87Å; R44-E66 PolarHBondContact NH1-OE2 3.46Å; R44-E66 IonicContact NH2-OE1 3.85Å
45	G	66	Low	88.2	Confident	38 Å²	38	52.6 Å²	52.6	39%	0.392	28%	0.278	S	S	.	.			trans	-83.5	-170.1	-179.8	0	0	0	0	0	111.9	F47 G48	G45-F47 PolarHBondContact O-N 3.17Å; G45-G48 PolarHBondContact N-O 3.35Å; G45-G48 VanDerWaalsContact N-O 3.17Å
46	A	61.9	Low	88.2	Confident	45 Å²	45	55.6 Å²	55.6	37%	0.372	29%	0.285	S	S	.	.	S	Bend	trans	-62.7	-25.8	165.4	0	0	0	0	0	112.1
47	F	69.1	Low	88.1	Confident	26 Å²	26	60 Å²	60	11%	0.114	32%	0.324	C	S	.	.	S	Bend	trans	-138.5	132.1	175.7	-50.9	-78.4	0	0	0	109	G45 K63 E70 A73 T178 N188	G45-F47 PolarHBondContact O-N 3.17Å; F47-K63 VanDerWaalsContact O-CE 3.24Å; F47-K63 WeakPolarHBondContact O-CE 3.49Å; F47-E70 HydrophobicContact CB-CG 4.41Å; F47-E70 HydrophobicContact CD1-CG 4.17Å; F47-A73 HydrophobicContact CD1-CB 4.07Å; F47-A73 HydrophobicContact CD2-CB 4.11Å; F47-A73 HydrophobicContact CE1-CB 4.15Å; F47-A73 HydrophobicContact CE2-CB 4.21Å; F47-A73 HydrophobicContact CG-CB 4.03Å; F47-A73 HydrophobicContact CZ-CB 4.21Å; F47-T178 HydrophobicContact CE2-CG2 4.47Å; F47-N188 WeakPolarHBondContact CE1-ND2 3.23Å; F47-N188 WeakPolarHBondContact CZ-ND2 3.39Å
48	G	78.2	Confident	88	Confident	3 Å²	3	58.5 Å²	58.5	3%	0.031	32%	0.316	C	S	.	.	S	Bend	trans	68.3	177.9	175.1	0	0	0	0	0	115.9	G45 Q64 E70	G45-G48 PolarHBondContact N-O 3.35Å; G45-G48 VanDerWaalsContact N-O 3.17Å; G48-Q64 CarbonylContact C-O 3.46Å; G48-Q64 WeakPolarHBondContact CA-O 3.18Å; G48-E70 PolarHBondContact N-OE1 3.04Å; G48-E70 PolarHBondContact N-OE2 3.05Å
49	V	87.2	Confident	88.1	Confident	15 Å²	15	59.2 Å²	59.2	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137	178.8	64.3	0	0	0	0	110	V41 R44 K63 Q64 E66	V41-V49 HydrophobicContact CB-CG2 4.48Å; V41-V49 HydrophobicContact CG1-CG2 3.54Å; V41-V49 HydrophobicContact CG2-CG2 4.15Å; R44-V49 HydrophobicContact CG-CG2 4.29Å; V49-K63 WeakPolarHBondContact O-CA 3.36Å; V49-Q64 HydrophobicContact CG1-CB 4.2Å; V49-Q64 PolarHBondContact N-O 2.87Å; V49-Q64 PolarHBondContact O-N 3.31Å; V49-E66 HydrophobicContact CB-CG 4.37Å; V49-E66 HydrophobicContact CG1-CG 4.3Å
50	V	92.3	Very high	88.2	Confident	31 Å²	31	55.9 Å²	55.9	19%	0.188	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122	175.1	-171.7	0	0	0	0	109	V42 G43 A61 I62 K63	V42-V50 HydrophobicContact CG2-CB 4.02Å; V42-V50 HydrophobicContact CG2-CG1 3.62Å; V42-V50 VanDerWaalsContact CG2-O 3.29Å; V42-V50 WeakPolarHBondContact CG2-O 3.34Å; V42-V50 PolarHBondContact N-O 2.75Å; G43-V50 PolarHBondContact N-O 3.14Å; G43-V50 PolarHBondContact O-N 3.41Å; V50-A61 HydrophobicContact CG1-CB 4.3Å; V50-I62 CarbonylContact C-O 3.52Å; V50-I62 VanDerWaalsContact CA-O 3.23Å; V50-I62 WeakPolarHBondContact CA-O 3.37Å; V50-K63 HydrophobicContact CG2-CB 4.33Å; V50-K63 HydrophobicContact CG2-CG 4.07Å
51	C	94.7	Very high	88.4	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.4	176.1	-50.1	0	0	0	0	110.6	V38 E40 A61 I62	V38-C51 HydrophobicContact CG1-CB 3.86Å; E40-C51 CarbonylContact O-C 3.53Å; E40-C51 VanDerWaalsContact O-CA 3.28Å; E40-C51 WeakPolarHBondContact O-CA 3.15Å; C51-A61 CarbonylContact O-C 3.53Å; C51-A61 WeakPolarHBondContact O-CA 3.46Å; C51-I62 HydrophobicContact CB-CD1 4.11Å; C51-I62 HydrophobicContact CB-CG1 3.68Å; C51-I62 PolarHBondContact N-O 2.87Å; C51-I62 PolarHBondContact O-N 3.27Å
52	K	96.9	Very high	88.5	Confident	37 Å²	37	46.7 Å²	46.7	16%	0.161	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	141.4	161.4	-174.5	178.1	-178.8	-122.2	0	108.6	E39 E40 V42 Y106	E39-K52 WeakPolarHBondContact CA-O 3.46Å; E39-K52 WeakPolarHBondContact CB-O 3.47Å; E39-K52 PolarHBondContact N-O 3.29Å; E39-K52 WeakPolarHBondContact OE2-CD 3.44Å; E39-K52 WeakPolarHBondContact OE2-CE 3.28Å; E39-K52 IonicContact OE2-NZ 3.11Å; E39-K52 PolarHBondContact OE2-NZ 3.27Å; E40-K52 HydrophobicContact CG-CB 4.19Å; E40-K52 PolarHBondContact O-N 3.31Å; V42-K52 HydrophobicContact CG1-CB 3.82Å; K52-Y106 HydrophobicContact CB-CD2 4.35Å; K52-Y106 HydrophobicContact CB-CE2 3.88Å; K52-Y106 HydrophobicContact CD-CE1 4.14Å; K52-Y106 HydrophobicContact CD-CE2 3.87Å; K52-Y106 HydrophobicContact CG-CD2 3.98Å; K52-Y106 HydrophobicContact CG-CE2 3.67Å
53	A	97.8	Very high	88.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	170.5	178.8	0	0	0	0	0	111	I36 E37 V60 I62	I36-A53 HydrophobicContact CG2-CB 3.71Å; E37-A53 CarbonylContact O-C 3.45Å; E37-A53 WeakPolarHBondContact O-CA 3.49Å; E37-A53 VanDerWaalsContact O-CB 3.28Å; E37-A53 WeakPolarHBondContact O-CB 3.34Å; A53-V60 HydrophobicContact CB-CG2 3.94Å; A53-V60 PolarHBondContact N-O 3.07Å; A53-V60 WeakPolarHBondContact O-CG2 3.43Å; A53-V60 PolarHBondContact O-N 2.97Å; A53-V60 VanDerWaalsContact O-O 3.07Å; A53-I62 HydrophobicContact CB-CD1 4.43Å; A53-I62 HydrophobicContact CB-CG1 4.33Å; A53-I62 HydrophobicContact CB-CG2 4.1Å
54	K	97.9	Very high	89.4	Confident	78 Å²	78	46.1 Å²	46.1	34%	0.339	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.4	167.3	-74.3	178.1	-179.9	122.6	0	110.8	I36 E37 E39 K58	I36-K54 WeakPolarHBondContact CA-O 3.4Å; E37-K54 HydrophobicContact CB-CB 4.32Å; E37-K54 PolarHBondContact N-O 3.43Å; E37-K54 PolarHBondContact O-N 3.3Å; E39-K54 WeakPolarHBondContact OE1-CE 2.92Å; E39-K54 IonicContact OE1-NZ 3.77Å; E39-K54 PolarHBondContact OE1-NZ 3.03Å; K54-K58 WeakPolarHBondContact CA-O 3.23Å
55	W	97.6	Very high	89.8	Confident	18 Å²	18	39.3 Å²	39.3	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	124.7	172	172.8	64.8	0	0	0	108.9	I31 E35 I36 A57 K58 V60 Y93 V103	I31-W55 HydrophobicContact CD1-CD2 4.18Å; I31-W55 HydrophobicContact CD1-CE3 4.41Å; I31-W55 HydrophobicContact CD1-CH2 3.86Å; I31-W55 HydrophobicContact CD1-CZ2 3.6Å; I31-W55 HydrophobicContact CD1-CZ3 4.27Å; I31-W55 HydrophobicContact CG1-CH2 4.33Å; I31-W55 HydrophobicContact CG1-CZ2 3.71Å; I31-W55 HydrophobicContact CG2-CZ2 4.44Å; E35-W55 PolarHBondContact OE2-NE1 2.95Å; I36-W55 HydrophobicContact CG1-CB 4.49Å; W55-A57 VanDerWaalsContact C-N 3.32Å; W55-A57 PolarHBondContact O-N 2.8Å; W55-K58 PolarHBondContact N-O 2.7Å; W55-K58 WeakPolarHBondContact O-CB 3.08Å; W55-K58 PolarHBondContact O-N 2.9Å; W55-V60 HydrophobicContact CB-CG1 4.11Å; W55-V60 HydrophobicContact CB-CG2 3.88Å; W55-V60 HydrophobicContact CE3-CG1 4.36Å; W55-Y93 HydrophobicContact CZ3-CG 4.15Å; W55-V103 HydrophobicContact CE3-CG1 4.43Å
56	R	96.5	Very high	90.7	Very high	150 Å²	150	42.7 Å²	42.7	57%	0.566	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	49.4	-176.4	-63	179.9	-179.7	163.7	4.3	113.4	E29 E35 K58	E29-R56 IonicContact OE1-CZ 3.3Å; E29-R56 VanDerWaalsContact OE1-CZ 3.26Å; E29-R56 IonicContact OE1-NH1 2.73Å; E29-R56 PolarHBondContact OE1-NH1 2.86Å; E29-R56 IonicContact OE1-NH2 2.75Å; E29-R56 PolarHBondContact OE1-NH2 3.37Å; E29-R56 IonicContact OE2-NH1 3.81Å; E35-R56 IonicContact OE2-CZ 2.75Å; E35-R56 IonicContact OE2-NE 2.68Å; E35-R56 PolarHBondContact OE2-NE 2.75Å; E35-R56 IonicContact OE2-NH2 3.21Å; E35-R56 PolarHBondContact OE2-NH2 2.73Å; R56-K58 PolarHBondContact O-N 2.93Å
57	A	94.8	Very high	91.6	Very high	108 Å²	108	42.7 Å²	42.7	89%	0.893	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	21.4	-178.7	0	0	0	0	0	115.2	W55	W55-A57 VanDerWaalsContact C-N 3.32Å; W55-A57 PolarHBondContact O-N 2.8Å
58	K	96.4	Very high	92.3	Very high	95 Å²	95	47.6 Å²	47.6	41%	0.413	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.1	177.1	-173.2	176	-178.5	176.6	0	110.4	K54 W55 R56 V60 Y93	K54-K58 WeakPolarHBondContact CA-O 3.23Å; W55-K58 PolarHBondContact N-O 2.7Å; W55-K58 WeakPolarHBondContact O-CB 3.08Å; W55-K58 PolarHBondContact O-N 2.9Å; R56-K58 PolarHBondContact O-N 2.93Å; K58-V60 PolarHBondContact O-N 2.84Å; K58-Y93 HydrophobicContact CD-CE2 4.48Å; K58-Y93 WeakPolarHBondContact CE-OH 3.48Å; K58-Y93 PolarHBondContact NZ-OH 3.29Å
59	D	97.5	Very high	92.3	Very high	75 Å²	75	52.4 Å²	52.4	40%	0.401	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.8	171.5	-64.7	-51.3	0	0	0	110.2	Y106	D59-Y106 HydrophobicContact CB-CD1 4.33Å
60	V	97.7	Very high	91.9	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.6	-178.7	-61.1	0	0	0	0	110.4	A53 W55 K58 I62 Y93 V103 M104	A53-V60 HydrophobicContact CB-CG2 3.94Å; A53-V60 PolarHBondContact N-O 3.07Å; A53-V60 WeakPolarHBondContact O-CG2 3.43Å; A53-V60 PolarHBondContact O-N 2.97Å; A53-V60 VanDerWaalsContact O-O 3.07Å; W55-V60 HydrophobicContact CB-CG1 4.11Å; W55-V60 HydrophobicContact CB-CG2 3.88Å; W55-V60 HydrophobicContact CE3-CG1 4.36Å; K58-V60 PolarHBondContact O-N 2.84Å; V60-I62 HydrophobicContact CG2-CG2 4.42Å; V60-Y93 HydrophobicContact CG1-CD2 3.78Å; V60-Y93 HydrophobicContact CG1-CE2 3.86Å; V60-V103 HydrophobicContact CB-CG1 3.95Å; V60-V103 HydrophobicContact CG1-CG1 4.11Å; V60-V103 HydrophobicContact CG2-CG1 3.95Å; V60-M104 CarbonylContact C-O 3.52Å; V60-M104 VanDerWaalsContact CA-O 3.31Å; V60-M104 WeakPolarHBondContact CA-O 3.34Å; V60-M104 WeakPolarHBondContact CB-O 3.41Å
61	A	96.9	Very high	91.5	Very high	10 Å²	10	57.4 Å²	57.4	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.6	167.1	0	0	0	0	0	108.7	V50 C51 M104 Y106	V50-A61 HydrophobicContact CG1-CB 4.3Å; C51-A61 CarbonylContact O-C 3.53Å; C51-A61 WeakPolarHBondContact O-CA 3.46Å; A61-M104 PolarHBondContact N-O 2.79Å; A61-M104 PolarHBondContact O-N 3.14Å; A61-Y106 HydrophobicContact CB-CD2 4.25Å
62	I	95.3	Very high	90.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.7	172.8	62	168.5	0	0	0	110.5	I36 V38 V50 C51 A53 V60 L102 V103	I36-I62 HydrophobicContact CD1-CG2 4.33Å; I36-I62 HydrophobicContact CG2-CD1 4.48Å; I36-I62 HydrophobicContact CG2-CG2 4.05Å; V38-I62 HydrophobicContact CB-CD1 4.39Å; V38-I62 HydrophobicContact CG1-CD1 4Å; V38-I62 HydrophobicContact CG2-CD1 3.57Å; V50-I62 CarbonylContact C-O 3.52Å; V50-I62 VanDerWaalsContact CA-O 3.23Å; V50-I62 WeakPolarHBondContact CA-O 3.37Å; C51-I62 HydrophobicContact CB-CD1 4.11Å; C51-I62 HydrophobicContact CB-CG1 3.68Å; C51-I62 PolarHBondContact N-O 2.87Å; C51-I62 PolarHBondContact O-N 3.27Å; A53-I62 HydrophobicContact CB-CD1 4.43Å; A53-I62 HydrophobicContact CB-CG1 4.33Å; A53-I62 HydrophobicContact CB-CG2 4.1Å; V60-I62 HydrophobicContact CG2-CG2 4.42Å; I62-L102 CarbonylContact C-O 3.57Å; I62-L102 VanDerWaalsContact CA-O 3.23Å; I62-L102 WeakPolarHBondContact CA-O 3.38Å; I62-V103 HydrophobicContact CG2-CG2 4.29Å
63	K	92.8	Very high	89.9	Confident	12 Å²	12	64.4 Å²	64.4	5%	0.052	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	104.1	171.6	-171.5	-179.1	-167.2	-174	0	108.4	F47 V49 V50 E77 C101 L102 M104 D175	F47-K63 VanDerWaalsContact O-CE 3.24Å; F47-K63 WeakPolarHBondContact O-CE 3.49Å; V49-K63 WeakPolarHBondContact O-CA 3.36Å; V50-K63 HydrophobicContact CG2-CB 4.33Å; V50-K63 HydrophobicContact CG2-CG 4.07Å; K63-E77 IonicContact NZ-OE1 3.43Å; K63-E77 PolarHBondContact NZ-OE1 2.81Å; K63-E77 IonicContact NZ-OE2 2.83Å; K63-E77 PolarHBondContact NZ-OE2 2.94Å; K63-C101 CarbonylContact O-C 3.47Å; K63-C101 WeakPolarHBondContact O-CA 3.34Å; K63-C101 WeakPolarHBondContact O-CB 3.32Å; K63-L102 HydrophobicContact CB-CB 4.33Å; K63-L102 PolarHBondContact N-O 3.2Å; K63-L102 PolarHBondContact O-N 3.45Å; K63-M104 HydrophobicContact CB-CE 3.79Å; K63-D175 IonicContact NZ-OD1 3.75Å; K63-D175 PolarHBondContact NZ-OD1 3.38Å
64	Q	91.7	Very high	89.3	Confident	47 Å²	47	64.7 Å²	64.7	22%	0.22	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.4	-177.1	-176.4	173.3	3.9	0	0	110	Y33 G48 V49 C101	Y33-Q64 PolarHBondContact OH-OE1 2.84Å; G48-Q64 CarbonylContact C-O 3.46Å; G48-Q64 WeakPolarHBondContact CA-O 3.18Å; V49-Q64 HydrophobicContact CG1-CB 4.2Å; V49-Q64 PolarHBondContact N-O 2.87Å; V49-Q64 PolarHBondContact O-N 3.31Å; Q64-C101 HydrophobicContact CB-CB 3.95Å; Q64-C101 HydrophobicContact CG-CB 4.3Å
65	I	87.3	Confident	88.6	Confident	29 Å²	29	64.7 Å²	64.7	15%	0.149	33%	0.329	C	S	.	.			trans	-70	141.2	173.5	64.7	176	0	0	0	110.5	E70 R71 F74 V100	I65-E70 WeakPolarHBondContact CA-OE2 3.42Å; I65-E70 HydrophobicContact CB-CB 4.12Å; I65-E70 HydrophobicContact CG2-CB 4.05Å; I65-R71 HydrophobicContact CD1-CB 4.26Å; I65-F74 HydrophobicContact CG2-CB 3.78Å; I65-F74 HydrophobicContact CG2-CD2 3.79Å; I65-F74 HydrophobicContact CG2-CG 4.09Å; I65-V100 HydrophobicContact CD1-CB 3.7Å; I65-V100 HydrophobicContact CD1-CG1 3.94Å; I65-V100 HydrophobicContact CD1-CG2 4.26Å; I65-V100 HydrophobicContact CG1-CB 3.99Å; I65-V100 HydrophobicContact CG1-CG1 4.35Å; I65-V100 PolarHBondContact N-O 2.9Å
66	E	83.1	Confident	87.9	Confident	109 Å²	109	65.8 Å²	65.8	51%	0.509	34%	0.338	S	S	.	.	S	Bend	trans	-92.5	-22.3	175.7	-67.7	-167.1	109.6	0	0	111.7	R44 V49 E70	R44-E66 IonicContact CZ-OE1 3.49Å; R44-E66 VanDerWaalsContact NH1-CD 3.25Å; R44-E66 IonicContact NH1-OE1 2.73Å; R44-E66 PolarHBondContact NH1-OE1 2.95Å; R44-E66 IonicContact NH1-OE2 3.87Å; R44-E66 PolarHBondContact NH1-OE2 3.46Å; R44-E66 IonicContact NH2-OE1 3.85Å; V49-E66 HydrophobicContact CB-CG 4.37Å; V49-E66 HydrophobicContact CG1-CG 4.3Å; E66-E70 PolarHBondContact N-OE2 2.96Å
67	S	82.9	Confident	87.4	Confident	45 Å²	45	58.9 Å²	58.9	32%	0.315	31%	0.312	S	S	.	.	S	Bend	trans	-143.1	151.9	-179	66	0	0	0	0	113.6	S69 E70	S67-S69 WeakPolarHBondContact CB-OG 3.41Å; S67-S69 PolarHBondContact O-N 3.04Å; S67-S69 PolarHBondContact OG-OG 2.73Å; S67-E70 PolarHBondContact N-OE2 3.18Å; S67-E70 WeakPolarHBondContact O-CB 3.26Å; S67-E70 PolarHBondContact O-N 2.87Å; S67-E70 WeakPolarHBondContact OG-CG 3.29Å
68	E	83.2	Confident	87.2	Confident	129 Å²	129	53.9 Å²	53.9	60%	0.603	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-61.5	-25.4	177.6	-170.5	61.5	-158.5	0	0	112.3	E70 R71	E68-E70 PolarHBondContact O-N 2.83Å; E68-R71 VanDerWaalsContact O-CB 3.23Å; E68-R71 WeakPolarHBondContact O-CB 3.28Å; E68-R71 PolarHBondContact O-N 3.46Å; E68-R71 VanDerWaalsContact O-N 3.14Å; E68-R71 WeakPolarHBondContact OE1-CD 3.37Å; E68-R71 IonicContact OE1-NE 3.43Å; E68-R71 IonicContact OE1-NH1 2.76Å; E68-R71 PolarHBondContact OE1-NH1 2.94Å
69	S	78.5	Confident	86.7	Confident	103 Å²	103	54.4 Å²	54.4	72%	0.72	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-60.1	-27.7	172.4	30.5	0	0	0	0	113.5	S67 R71	S67-S69 WeakPolarHBondContact CB-OG 3.41Å; S67-S69 PolarHBondContact O-N 3.04Å; S67-S69 PolarHBondContact OG-OG 2.73Å; S69-R71 VanDerWaalsContact C-N 3.31Å
70	E	78.7	Confident	86.2	Confident	28 Å²	28	51.4 Å²	51.4	13%	0.131	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-82.4	-9.8	179.7	-62.3	175.2	148.8	0	0	112.8	F47 G48 I65 E66 S67 E68 K72 A73 F74	F47-E70 HydrophobicContact CB-CG 4.41Å; F47-E70 HydrophobicContact CD1-CG 4.17Å; G48-E70 PolarHBondContact N-OE1 3.04Å; G48-E70 PolarHBondContact N-OE2 3.05Å; I65-E70 WeakPolarHBondContact CA-OE2 3.42Å; I65-E70 HydrophobicContact CB-CB 4.12Å; I65-E70 HydrophobicContact CG2-CB 4.05Å; E66-E70 PolarHBondContact N-OE2 2.96Å; S67-E70 PolarHBondContact N-OE2 3.18Å; S67-E70 WeakPolarHBondContact O-CB 3.26Å; S67-E70 PolarHBondContact O-N 2.87Å; S67-E70 WeakPolarHBondContact OG-CG 3.29Å; E68-E70 PolarHBondContact O-N 2.83Å; E70-K72 VanDerWaalsContact C-N 3.25Å; E70-K72 PolarHBondContact O-N 3.22Å; E70-A73 WeakPolarHBondContact O-CB 3.23Å; E70-A73 PolarHBondContact O-N 3.01Å; E70-F74 PolarHBondContact O-N 2.86Å
71	R	83.7	Confident	85.8	Confident	123 Å²	123	51.6 Å²	51.6	46%	0.464	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-33.9	-174.4	-170.3	173.9	178.1	-139.3	-1.2	113.1	I65 E68 S69 F74 I75	I65-R71 HydrophobicContact CD1-CB 4.26Å; E68-R71 VanDerWaalsContact O-CB 3.23Å; E68-R71 WeakPolarHBondContact O-CB 3.28Å; E68-R71 PolarHBondContact O-N 3.46Å; E68-R71 VanDerWaalsContact O-N 3.14Å; E68-R71 WeakPolarHBondContact OE1-CD 3.37Å; E68-R71 IonicContact OE1-NE 3.43Å; E68-R71 IonicContact OE1-NH1 2.76Å; E68-R71 PolarHBondContact OE1-NH1 2.94Å; S69-R71 VanDerWaalsContact C-N 3.31Å; R71-F74 WeakPolarHBondContact O-CB 3.36Å; R71-F74 PolarHBondContact O-N 2.98Å; R71-I75 VanDerWaalsContact O-CG1 3.28Å; R71-I75 WeakPolarHBondContact O-CG1 3.46Å; R71-I75 PolarHBondContact O-N 3.43Å
72	K	80	Confident	85.5	Confident	178 Å²	178	52.6 Å²	52.6	77%	0.774	26%	0.26	S	S	*	.	H	α-helix	trans	-64.2	-46.4	174.9	-71.9	-176	179.9	178.8	0	111.9	E70 F74 I75 V76	E70-K72 VanDerWaalsContact C-N 3.25Å; E70-K72 PolarHBondContact O-N 3.22Å; K72-F74 VanDerWaalsContact C-N 3.29Å; K72-F74 PolarHBondContact O-N 3.23Å; K72-I75 PolarHBondContact O-N 3.24Å; K72-V76 WeakPolarHBondContact O-CG2 3.28Å; K72-V76 PolarHBondContact O-N 3.35Å
73	A	77.3	Confident	85.2	Confident	15 Å²	15	56.1 Å²	56.1	12%	0.124	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-41.2	177.1	0	0	0	0	0	110.8	F47 E70 V76 E77	F47-A73 HydrophobicContact CD1-CB 4.07Å; F47-A73 HydrophobicContact CD2-CB 4.11Å; F47-A73 HydrophobicContact CE1-CB 4.15Å; F47-A73 HydrophobicContact CE2-CB 4.21Å; F47-A73 HydrophobicContact CG-CB 4.03Å; F47-A73 HydrophobicContact CZ-CB 4.21Å; E70-A73 WeakPolarHBondContact O-CB 3.23Å; E70-A73 PolarHBondContact O-N 3.01Å; A73-V76 PolarHBondContact O-N 3.17Å; A73-E77 WeakPolarHBondContact O-CB 3.46Å; A73-E77 PolarHBondContact O-N 3.22Å
74	F	85.3	Confident	85.1	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-49.1	173.6	-180	-85.3	0	0	0	113	I65 E70 R71 K72 V76 E77 L78 A95 V100 C101 L102	I65-F74 HydrophobicContact CG2-CB 3.78Å; I65-F74 HydrophobicContact CG2-CD2 3.79Å; I65-F74 HydrophobicContact CG2-CG 4.09Å; E70-F74 PolarHBondContact O-N 2.86Å; R71-F74 WeakPolarHBondContact O-CB 3.36Å; R71-F74 PolarHBondContact O-N 2.98Å; K72-F74 VanDerWaalsContact C-N 3.29Å; K72-F74 PolarHBondContact O-N 3.23Å; F74-V76 VanDerWaalsContact C-N 3.3Å; F74-V76 PolarHBondContact O-N 3.42Å; F74-E77 PolarHBondContact O-N 2.81Å; F74-L78 HydrophobicContact CE1-CB 4.34Å; F74-L78 HydrophobicContact CE1-CD2 3.99Å; F74-L78 WeakPolarHBondContact O-CB 3.31Å; F74-L78 PolarHBondContact O-N 2.95Å; F74-A95 HydrophobicContact CZ-CB 4.41Å; F74-V100 HydrophobicContact CB-CG1 4.41Å; F74-V100 HydrophobicContact CD1-CG1 3.24Å; F74-V100 HydrophobicContact CD2-CG1 3.65Å; F74-V100 HydrophobicContact CE1-CG1 3.19Å; F74-V100 HydrophobicContact CE2-CG1 3.55Å; F74-V100 HydrophobicContact CG-CG1 3.49Å; F74-V100 VanDerWaalsContact CG-CG1 3.49Å; F74-V100 HydrophobicContact CZ-CG1 3.34Å; F74-C101 VanDerWaalsContact CE2-C 3.44Å; F74-L102 HydrophobicContact CD2-CD2 4.48Å; F74-L102 HydrophobicContact CD2-CG 4.13Å; F74-L102 HydrophobicContact CE1-CD2 4.3Å; F74-L102 HydrophobicContact CE2-CB 4.39Å; F74-L102 HydrophobicContact CE2-CD1 4.44Å; F74-L102 HydrophobicContact CE2-CD2 3.73Å; F74-L102 HydrophobicContact CE2-CG 3.49Å; F74-L102 VanDerWaalsContact CE2-CG 3.49Å; F74-L102 HydrophobicContact CZ-CD2 3.61Å; F74-L102 HydrophobicContact CZ-CG 3.92Å
75	I	84.4	Confident	85.2	Confident	78 Å²	78	60.5 Å²	60.5	40%	0.4	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-38	-179.1	-67.5	-66.4	0	0	0	111.3	R71 K72 R79	R71-I75 VanDerWaalsContact O-CG1 3.28Å; R71-I75 WeakPolarHBondContact O-CG1 3.46Å; R71-I75 PolarHBondContact O-N 3.43Å; K72-I75 PolarHBondContact O-N 3.24Å; I75-R79 WeakPolarHBondContact O-CB 3.38Å; I75-R79 PolarHBondContact O-N 2.97Å
76	V	82.2	Confident	85.6	Confident	41 Å²	41	61 Å²	61	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-51	172.7	168.7	0	0	0	0	110.2	K72 A73 F74 R79 Q80 C180	K72-V76 WeakPolarHBondContact O-CG2 3.28Å; K72-V76 PolarHBondContact O-N 3.35Å; A73-V76 PolarHBondContact O-N 3.17Å; F74-V76 VanDerWaalsContact C-N 3.3Å; F74-V76 PolarHBondContact O-N 3.42Å; V76-R79 PolarHBondContact O-N 2.83Å; V76-Q80 WeakPolarHBondContact O-CG 3.47Å; V76-Q80 PolarHBondContact O-N 3.24Å; V76-C180 HydrophobicContact CG1-CB 3.7Å; V76-C180 HydrophobicContact CG2-CB 4.43Å
77	E	85.7	Confident	86.3	Confident	5 Å²	5	60.1 Å²	60.1	2%	0.023	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-45.8	-178.8	-170.1	170	-164.9	0	0	111.8	K63 A73 F74 R79 Q80 L81 L102 F176	K63-E77 IonicContact NZ-OE1 3.43Å; K63-E77 PolarHBondContact NZ-OE1 2.81Å; K63-E77 IonicContact NZ-OE2 2.83Å; K63-E77 PolarHBondContact NZ-OE2 2.94Å; A73-E77 WeakPolarHBondContact O-CB 3.46Å; A73-E77 PolarHBondContact O-N 3.22Å; F74-E77 PolarHBondContact O-N 2.81Å; E77-R79 VanDerWaalsContact C-N 3.33Å; E77-R79 PolarHBondContact O-N 3.04Å; E77-Q80 PolarHBondContact O-N 2.83Å; E77-L81 HydrophobicContact CG-CD1 3.82Å; E77-L81 HydrophobicContact CG-CG 4.35Å; E77-L81 WeakPolarHBondContact O-CB 3.35Å; E77-L81 PolarHBondContact O-N 2.87Å; E77-L102 HydrophobicContact CB-CD1 4.32Å; E77-L102 HydrophobicContact CG-CD1 3.78Å; E77-F176 HydrophobicContact CG-CB 4.35Å
78	L	89.7	Confident	87.1	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-54.7	-48.1	173.9	178.2	55.2	0	0	0	111.4	F28 F74 Q80 L81 S82 L92 A95 L102	F28-L78 HydrophobicContact CB-CD1 4.4Å; F28-L78 HydrophobicContact CD1-CD1 4.12Å; F28-L78 HydrophobicContact CD1-CD2 4.31Å; F28-L78 HydrophobicContact CD1-CG 4.35Å; F28-L78 HydrophobicContact CD2-CD1 4.39Å; F28-L78 HydrophobicContact CE1-CD2 3.9Å; F28-L78 HydrophobicContact CE1-CG 4.38Å; F28-L78 HydrophobicContact CE2-CD2 4.41Å; F28-L78 HydrophobicContact CG-CD1 4.05Å; F28-L78 HydrophobicContact CZ-CD2 3.96Å; F74-L78 HydrophobicContact CE1-CB 4.34Å; F74-L78 HydrophobicContact CE1-CD2 3.99Å; F74-L78 WeakPolarHBondContact O-CB 3.31Å; F74-L78 PolarHBondContact O-N 2.95Å; L78-Q80 VanDerWaalsContact C-N 3.34Å; L78-Q80 PolarHBondContact O-N 3.33Å; L78-L81 PolarHBondContact O-N 2.89Å; L78-S82 VanDerWaalsContact O-CB 3.28Å; L78-S82 WeakPolarHBondContact O-CB 3.24Å; L78-S82 PolarHBondContact O-N 2.9Å; L78-S82 PolarHBondContact O-OG 2.78Å; L78-L92 HydrophobicContact CD1-CD2 3.87Å; L78-A95 HydrophobicContact CD1-CB 3.81Å; L78-A95 HydrophobicContact CD2-CB 4.2Å; L78-L102 HydrophobicContact CB-CD2 3.91Å; L78-L102 HydrophobicContact CD1-CD2 3.73Å; L78-L102 HydrophobicContact CG-CD2 4.34Å
79	R	87.7	Confident	87.8	Confident	106 Å²	106	52.5 Å²	52.5	40%	0.4	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-36.9	179.4	174.1	171.8	-173.9	-172.9	4.4	113	L26 I75 V76 E77 S82 R83	L26-R79 HydrophobicContact CD2-CB 3.8Å; L26-R79 HydrophobicContact CD2-CG 3.69Å; I75-R79 WeakPolarHBondContact O-CB 3.38Å; I75-R79 PolarHBondContact O-N 2.97Å; V76-R79 PolarHBondContact O-N 2.83Å; E77-R79 VanDerWaalsContact C-N 3.33Å; E77-R79 PolarHBondContact O-N 3.04Å; R79-S82 PolarHBondContact O-OG 3.42Å; R79-R83 VanDerWaalsContact O-CD 3.29Å; R79-R83 WeakPolarHBondContact O-CD 3.34Å; R79-R83 VanDerWaalsContact O-CG 3.3Å; R79-R83 WeakPolarHBondContact O-CG 3.23Å
80	Q	86	Confident	88.6	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-76.2	-46.3	178.5	-61.6	-52.2	-13	0	0	111.2	V76 E77 L78 S82 R83 V84 L152 F176 A179 C180	V76-Q80 WeakPolarHBondContact O-CG 3.47Å; V76-Q80 PolarHBondContact O-N 3.24Å; E77-Q80 PolarHBondContact O-N 2.83Å; L78-Q80 VanDerWaalsContact C-N 3.34Å; L78-Q80 PolarHBondContact O-N 3.33Å; Q80-S82 VanDerWaalsContact C-N 3.29Å; Q80-S82 PolarHBondContact O-N 2.79Å; Q80-R83 PolarHBondContact O-N 3.28Å; Q80-V84 PolarHBondContact O-N 3.24Å; Q80-L152 HydrophobicContact CB-CD2 3.92Å; Q80-L152 VanDerWaalsContact CD-CD1 3.45Å; Q80-L152 HydrophobicContact CG-CD1 3.94Å; Q80-L152 HydrophobicContact CG-CD2 4.18Å; Q80-F176 HydrophobicContact CB-CB 4.34Å; Q80-A179 HydrophobicContact CG-CB 4.49Å; Q80-C180 PolarHBondContact NE2-SG 3.25Å
81	L	89	Confident	89.4	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-33.4	179.1	-80.1	176.1	0	0	0	112.8	E77 L78 R83 V84 L92 L102 M104 F176	E77-L81 HydrophobicContact CG-CD1 3.82Å; E77-L81 HydrophobicContact CG-CG 4.35Å; E77-L81 WeakPolarHBondContact O-CB 3.35Å; E77-L81 PolarHBondContact O-N 2.87Å; L78-L81 PolarHBondContact O-N 2.89Å; L81-R83 PolarHBondContact O-N 2.97Å; L81-V84 HydrophobicContact CD2-CG2 4.06Å; L81-V84 WeakPolarHBondContact O-CG2 3.31Å; L81-V84 PolarHBondContact O-N 3.24Å; L81-L92 HydrophobicContact CB-CB 4.15Å; L81-L92 HydrophobicContact CB-CD2 3.95Å; L81-L92 HydrophobicContact CB-CG 4.46Å; L81-L102 HydrophobicContact CD1-CD1 3.91Å; L81-M104 HydrophobicContact CD1-SD 4.07Å; L81-F176 HydrophobicContact CD2-CD2 3.34Å; L81-F176 HydrophobicContact CD2-CE2 3.45Å; L81-F176 VanDerWaalsContact CD2-CE2 3.45Å; L81-F176 HydrophobicContact CD2-CG 4.42Å; L81-F176 HydrophobicContact CG-CD2 3.83Å; L81-F176 HydrophobicContact CG-CE2 4.42Å
82	S	90.1	Very high	89.9	Confident	30 Å²	30	47.1 Å²	47.1	21%	0.21	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-15	175.5	73.9	0	0	0	0	113.7	L78 R79 Q80	L78-S82 VanDerWaalsContact O-CB 3.28Å; L78-S82 WeakPolarHBondContact O-CB 3.24Å; L78-S82 PolarHBondContact O-N 2.9Å; L78-S82 PolarHBondContact O-OG 2.78Å; R79-S82 PolarHBondContact O-OG 3.42Å; Q80-S82 VanDerWaalsContact C-N 3.29Å; Q80-S82 PolarHBondContact O-N 2.79Å
83	R	89.2	Confident	90.6	Very high	74 Å²	74	40.3 Å²	40.3	28%	0.279	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-13.3	-178.9	-67.9	170.7	64.8	-140.6	-0.1	113.3	R79 Q80 L81 M147 Q148	R79-R83 VanDerWaalsContact O-CD 3.29Å; R79-R83 WeakPolarHBondContact O-CD 3.34Å; R79-R83 VanDerWaalsContact O-CG 3.3Å; R79-R83 WeakPolarHBondContact O-CG 3.23Å; Q80-R83 PolarHBondContact O-N 3.28Å; L81-R83 PolarHBondContact O-N 2.97Å; R83-M147 HydrophobicContact CB-CE 3.73Å; R83-Q148 PolarHBondContact NH2-O 3.43Å
84	V	91.4	Very high	91.5	Very high	18 Å²	18	39.6 Å²	39.6	11%	0.109	20%	0.197	C	C	.	.			trans	-101.4	136.5	-175.4	-61.2	0	0	0	0	110.9	Q80 L81 I89 Y143 L144 M147 L152	Q80-V84 PolarHBondContact O-N 3.24Å; L81-V84 HydrophobicContact CD2-CG2 4.06Å; L81-V84 WeakPolarHBondContact O-CG2 3.31Å; L81-V84 PolarHBondContact O-N 3.24Å; V84-I89 HydrophobicContact CB-CD1 4.38Å; V84-I89 HydrophobicContact CB-CG2 4.39Å; V84-I89 HydrophobicContact CG2-CG2 3.81Å; V84-Y143 HydrophobicContact CB-CE1 3.96Å; V84-Y143 HydrophobicContact CG1-CE1 4.1Å; V84-L144 HydrophobicContact CG1-CD2 3.73Å; V84-M147 HydrophobicContact CG1-CE 3.89Å; V84-M147 HydrophobicContact CG1-SD 3.75Å; V84-L152 HydrophobicContact CG1-CD2 4.31Å
85	N	93.5	Very high	92	Very high	133 Å²	133	39.3 Å²	39.3	71%	0.711	20%	0.196	S	C	*	.			trans	-147.4	97.7	172.4	-178.7	22.6	0	0	0	108.7	Y143	N85-Y143 PolarHBondContact N-OH 3.36Å
86	H	97.1	Very high	92.5	Very high	40 Å²	40	35.6 Å²	35.6	19%	0.185	18%	0.177	C	C	.	.			trans	-148.1	142.7	-177.3	-173	-93	0	0	0	110.2	N88 I89 Y143	H86-N88 PolarHBondContact CE1-OD1 2.9Å; H86-N88 VanDerWaalsContact CE1-OD1 3.29Å; H86-N88 PolarHBondContact ND1-N 2.81Å; H86-N88 VanDerWaalsContact ND1-N 3.11Å; H86-N88 PolarHBondContact O-N 3.4Å; H86-N88 VanDerWaalsContact O-N 3.14Å; H86-I89 HydrophobicContact CB-CB 4.24Å; H86-I89 HydrophobicContact CB-CD1 3.89Å; H86-I89 HydrophobicContact CB-CG1 4.05Å; H86-I89 PolarHBondContact O-N 3.4Å; H86-I89 VanDerWaalsContact O-O 3.14Å; H86-Y143 HydrophobicContact CB-CD1 3.82Å; H86-Y143 HydrophobicContact CB-CD2 4.38Å; H86-Y143 HydrophobicContact CB-CE1 4.07Å; H86-Y143 HydrophobicContact CB-CG 3.98Å; H86-Y143 AromaticContact CD2-CD2 3.94Å; H86-Y143 AromaticContact CD2-CG 3.77Å; H86-Y143 AromaticContact CG-CG 4Å
87	P	97.9	Very high	92.8	Very high	91 Å²	91	36.7 Å²	36.7	59%	0.591	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.4	-178.7	-28.2	35.9	0	0	0	114.4	K172	P87-K172 PolarHBondContact O-NZ 3.49Å; P87-K172 VanDerWaalsContact O-NZ 3.17Å
88	N	98.4	Very high	92.9	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.048	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	21.9	-179.7	-52	109	0	0	0	114.4	H86 Q136 L171 K172 I173	H86-N88 PolarHBondContact CE1-OD1 2.9Å; H86-N88 VanDerWaalsContact CE1-OD1 3.29Å; H86-N88 PolarHBondContact ND1-N 2.81Å; H86-N88 VanDerWaalsContact ND1-N 3.11Å; H86-N88 PolarHBondContact O-N 3.4Å; H86-N88 VanDerWaalsContact O-N 3.14Å; N88-Q136 VanDerWaalsContact CB-O 3.29Å; N88-Q136 WeakPolarHBondContact CB-O 3.07Å; N88-Q136 WeakPolarHBondContact ND2-CB 3.14Å; N88-Q136 PolarHBondContact ND2-OE1 2.89Å; N88-L171 VanDerWaalsContact CA-O 3.29Å; N88-L171 WeakPolarHBondContact CA-O 3.34Å; N88-L171 WeakPolarHBondContact CB-O 3.08Å; N88-L171 PolarHBondContact ND2-O 2.86Å; N88-K172 WeakPolarHBondContact O-CA 3.01Å; N88-I173 WeakPolarHBondContact O-CG1 3.3Å; N88-I173 PolarHBondContact O-N 2.76Å
89	I	97.2	Very high	93	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-125.9	140.1	170.1	-63.4	176	0	0	0	107.5	V84 H86 K91 Y143 L144 I173 F176	V84-I89 HydrophobicContact CB-CD1 4.38Å; V84-I89 HydrophobicContact CB-CG2 4.39Å; V84-I89 HydrophobicContact CG2-CG2 3.81Å; H86-I89 HydrophobicContact CB-CB 4.24Å; H86-I89 HydrophobicContact CB-CD1 3.89Å; H86-I89 HydrophobicContact CB-CG1 4.05Å; H86-I89 PolarHBondContact O-N 3.4Å; H86-I89 VanDerWaalsContact O-O 3.14Å; I89-K91 PolarHBondContact O-N 3.05Å; I89-Y143 HydrophobicContact CD1-CD1 3.61Å; I89-Y143 HydrophobicContact CD1-CE1 4.04Å; I89-L144 HydrophobicContact CD1-CD1 4.42Å; I89-L144 HydrophobicContact CD1-CD2 3.5Å; I89-L144 HydrophobicContact CD1-CG 3.85Å; I89-I173 HydrophobicContact CG1-CB 4.46Å; I89-F176 HydrophobicContact CG2-CE2 3.77Å; I89-F176 HydrophobicContact CG2-CZ 3.59Å
90	V	96.2	Very high	93.1	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.036	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-57.6	131	177.2	166.3	0	0	0	0	110.3	M104 E105 L163 K172 I173 C174	V90-M104 HydrophobicContact CG1-CB 3.85Å; V90-M104 HydrophobicContact CG1-CG 4.34Å; V90-M104 HydrophobicContact CG1-SD 4.2Å; V90-E105 HydrophobicContact CG1-CB 4.48Å; V90-L163 HydrophobicContact CG2-CD1 3.82Å; V90-K172 HydrophobicContact CG2-CB 3.94Å; V90-I173 PolarHBondContact N-O 3.45Å; V90-C174 HydrophobicContact CB-CB 4.34Å; V90-C174 HydrophobicContact CG2-CB 3.73Å
91	K	94.6	Very high	93.5	Very high	110 Å²	110	40.8 Å²	40.8	48%	0.478	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-78.4	127.4	178.5	-177.4	168.8	177.3	175.3	0	110.7	I89 Y93 M104 E105	I89-K91 PolarHBondContact O-N 3.05Å; K91-Y93 HydrophobicContact CD-CD1 4.29Å; K91-Y93 HydrophobicContact CD-CE1 3.73Å; K91-Y93 HydrophobicContact CG-CD1 4.23Å; K91-Y93 HydrophobicContact CG-CE1 3.96Å; K91-M104 CarbonylContact O-C 3.58Å; K91-M104 WeakPolarHBondContact O-CA 3.5Å; K91-E105 HydrophobicContact CB-CB 4.17Å; K91-E105 PolarHBondContact O-N 2.86Å
92	L	95.1	Very high	93.7	Very high	26 Å²	26	40.6 Å²	40.6	14%	0.136	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	126.3	164.8	-176.3	70.4	0	0	0	109.1	L78 L81 G94 L102 M104	L78-L92 HydrophobicContact CD1-CD2 3.87Å; L81-L92 HydrophobicContact CB-CB 4.15Å; L81-L92 HydrophobicContact CB-CD2 3.95Å; L81-L92 HydrophobicContact CB-CG 4.46Å; L92-G94 VanDerWaalsContact CD1-O 3.31Å; L92-G94 WeakPolarHBondContact CD1-O 3.08Å; L92-L102 HydrophobicContact CD1-CB 4.2Å; L92-L102 HydrophobicContact CD1-CD2 4.09Å; L92-M104 HydrophobicContact CD1-CG 4.08Å
93	Y	95.3	Very high	94	Very high	34 Å²	34	39.1 Å²	39.1	13%	0.133	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-42.5	170.3	-63.2	-48.4	0	0	0	111.3	W55 K58 V60 K91 V103 E105	W55-Y93 HydrophobicContact CZ3-CG 4.15Å; K58-Y93 HydrophobicContact CD-CE2 4.48Å; K58-Y93 WeakPolarHBondContact CE-OH 3.48Å; K58-Y93 PolarHBondContact NZ-OH 3.29Å; V60-Y93 HydrophobicContact CG1-CD2 3.78Å; V60-Y93 HydrophobicContact CG1-CE2 3.86Å; K91-Y93 HydrophobicContact CD-CD1 4.29Å; K91-Y93 HydrophobicContact CD-CE1 3.73Å; K91-Y93 HydrophobicContact CG-CD1 4.23Å; K91-Y93 HydrophobicContact CG-CE1 3.96Å; Y93-V103 PolarHBondContact N-O 3.02Å; Y93-E105 HydrophobicContact CE2-CB 4.19Å
94	G	95.2	Very high	94.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-167.2	179.9	0	0	0	0	0	111.9	E29 L92 V103	E29-G94 CarbonylContact O-C 3.54Å; E29-G94 WeakPolarHBondContact O-CA 3.47Å; L92-G94 VanDerWaalsContact CD1-O 3.31Å; L92-G94 WeakPolarHBondContact CD1-O 3.08Å; G94-V103 PolarHBondContact N-O 3.01Å; G94-V103 PolarHBondContact O-N 3.24Å
95	A	95.8	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.8	175.8	0	0	0	0	0	110.9	F28 E29 E30 I31 F74 L78 C101 L102	F28-A95 HydrophobicContact CD2-CB 3.96Å; F28-A95 HydrophobicContact CE2-CB 4Å; E29-A95 PolarHBondContact O-N 3.46Å; E30-A95 WeakPolarHBondContact CA-O 3.13Å; I31-A95 PolarHBondContact N-O 3.28Å; F74-A95 HydrophobicContact CZ-CB 4.41Å; L78-A95 HydrophobicContact CD1-CB 3.81Å; L78-A95 HydrophobicContact CD2-CB 4.2Å; A95-C101 CarbonylContact C-O 3.53Å; A95-C101 VanDerWaalsContact CA-O 3.26Å; A95-C101 WeakPolarHBondContact CA-O 3.28Å; A95-L102 HydrophobicContact CB-CD2 4.27Å
96	C	94.5	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142.2	166.3	-54.5	0	0	0	0	108.6	I31 Y33 I36 P99 V100 C101	I31-C96 PolarHBondContact O-SG 2.9Å; Y33-C96 HydrophobicContact CD2-CB 4.3Å; I36-C96 VanDerWaalsContact CD1-SG 3.51Å; C96-P99 CarbonylContact C-O 3.59Å; C96-P99 VanDerWaalsContact CB-O 3.29Å; C96-P99 WeakPolarHBondContact CB-O 3.41Å; C96-V100 WeakPolarHBondContact O-CA 3.39Å; C96-C101 VanDerWaalsContact CB-SG 3.5Å; C96-C101 PolarHBondContact N-O 3Å; C96-C101 PolarHBondContact O-N 3.36Å
97	L	89.6	Confident	94.6	Very high	64 Å²	64	32.5 Å²	32.5	34%	0.335	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-18.8	175.9	-59.4	-176.1	0	0	0	112.7	E30 P99 V100	E30-L97 HydrophobicContact CG-CD1 4.43Å; E30-L97 HydrophobicContact CG-CG 4.36Å; E30-L97 WeakPolarHBondContact OE1-CD1 3.48Å; L97-P99 CarbonylContact C-O 3.56Å; L97-V100 VanDerWaalsContact O-CG2 3.26Å; L97-V100 WeakPolarHBondContact O-CG2 3.39Å
98	N	88.6	Confident	94.4	Very high	144 Å²	144	33.1 Å²	33.1	77%	0.77	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-147.5	102.5	-179.1	-66.6	-66.8	0	0	0	111.5
99	P	90.4	Very high	94.1	Very high	47 Å²	47	33.6 Å²	33.6	31%	0.305	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	cis	-63.3	160.7	-12.6	31	-36.7	0	0	0	111.8	Y33 C96 L97 C101	Y33-P99 HydrophobicContact CD1-CG 4.08Å; Y33-P99 HydrophobicContact CD2-CG 3.7Å; Y33-P99 HydrophobicContact CE1-CG 3.94Å; Y33-P99 HydrophobicContact CE2-CG 3.55Å; Y33-P99 VanDerWaalsContact CG-CD 3.48Å; Y33-P99 HydrophobicContact CG-CG 3.96Å; C96-P99 CarbonylContact C-O 3.59Å; C96-P99 VanDerWaalsContact CB-O 3.29Å; C96-P99 WeakPolarHBondContact CB-O 3.41Å; L97-P99 CarbonylContact C-O 3.56Å; P99-C101 PolarHBondContact O-N 2.7Å
100	V	91.2	Very high	94	Very high	22 Å²	22	34.8 Å²	34.8	13%	0.133	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	109.2	179.2	177.9	0	0	0	0	109.5	I65 F74 C96 L97	I65-V100 HydrophobicContact CD1-CB 3.7Å; I65-V100 HydrophobicContact CD1-CG1 3.94Å; I65-V100 HydrophobicContact CD1-CG2 4.26Å; I65-V100 HydrophobicContact CG1-CB 3.99Å; I65-V100 HydrophobicContact CG1-CG1 4.35Å; I65-V100 PolarHBondContact N-O 2.9Å; F74-V100 HydrophobicContact CB-CG1 4.41Å; F74-V100 HydrophobicContact CD1-CG1 3.24Å; F74-V100 HydrophobicContact CD2-CG1 3.65Å; F74-V100 HydrophobicContact CE1-CG1 3.19Å; F74-V100 HydrophobicContact CE2-CG1 3.55Å; F74-V100 HydrophobicContact CG-CG1 3.49Å; F74-V100 VanDerWaalsContact CG-CG1 3.49Å; F74-V100 HydrophobicContact CZ-CG1 3.34Å; C96-V100 WeakPolarHBondContact O-CA 3.39Å; L97-V100 VanDerWaalsContact O-CG2 3.26Å; L97-V100 WeakPolarHBondContact O-CG2 3.39Å
101	C	93.2	Very high	93.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.8	175.6	70.7	0	0	0	0	113.5	K63 Q64 F74 A95 C96 P99	K63-C101 CarbonylContact O-C 3.47Å; K63-C101 WeakPolarHBondContact O-CA 3.34Å; K63-C101 WeakPolarHBondContact O-CB 3.32Å; Q64-C101 HydrophobicContact CB-CB 3.95Å; Q64-C101 HydrophobicContact CG-CB 4.3Å; F74-C101 VanDerWaalsContact CE2-C 3.44Å; A95-C101 CarbonylContact C-O 3.53Å; A95-C101 VanDerWaalsContact CA-O 3.26Å; A95-C101 WeakPolarHBondContact CA-O 3.28Å; C96-C101 VanDerWaalsContact CB-SG 3.5Å; C96-C101 PolarHBondContact N-O 3Å; C96-C101 PolarHBondContact O-N 3.36Å; P99-C101 PolarHBondContact O-N 2.7Å
102	L	94.1	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136	171.8	-61.2	174.9	0	0	0	109	I62 K63 F74 E77 L78 L81 L92 A95 M104	I62-L102 CarbonylContact C-O 3.57Å; I62-L102 VanDerWaalsContact CA-O 3.23Å; I62-L102 WeakPolarHBondContact CA-O 3.38Å; K63-L102 HydrophobicContact CB-CB 4.33Å; K63-L102 PolarHBondContact N-O 3.2Å; K63-L102 PolarHBondContact O-N 3.45Å; F74-L102 HydrophobicContact CD2-CD2 4.48Å; F74-L102 HydrophobicContact CD2-CG 4.13Å; F74-L102 HydrophobicContact CE1-CD2 4.3Å; F74-L102 HydrophobicContact CE2-CB 4.39Å; F74-L102 HydrophobicContact CE2-CD1 4.44Å; F74-L102 HydrophobicContact CE2-CD2 3.73Å; F74-L102 HydrophobicContact CE2-CG 3.49Å; F74-L102 VanDerWaalsContact CE2-CG 3.49Å; F74-L102 HydrophobicContact CZ-CD2 3.61Å; F74-L102 HydrophobicContact CZ-CG 3.92Å; E77-L102 HydrophobicContact CB-CD1 4.32Å; E77-L102 HydrophobicContact CG-CD1 3.78Å; L78-L102 HydrophobicContact CB-CD2 3.91Å; L78-L102 HydrophobicContact CD1-CD2 3.73Å; L78-L102 HydrophobicContact CG-CD2 4.34Å; L81-L102 HydrophobicContact CD1-CD1 3.91Å; L92-L102 HydrophobicContact CD1-CB 4.2Å; L92-L102 HydrophobicContact CD1-CD2 4.09Å; A95-L102 HydrophobicContact CB-CD2 4.27Å; L102-M104 HydrophobicContact CB-CG 4.23Å; L102-M104 HydrophobicContact CB-SD 4.32Å
103	V	95.9	Very high	94.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.6	174.8	-172.2	0	0	0	0	108.7	I31 I36 W55 V60 I62 Y93 G94	I31-V103 HydrophobicContact CD1-CB 3.72Å; I31-V103 HydrophobicContact CD1-CG1 4.04Å; I31-V103 HydrophobicContact CD1-CG2 3.72Å; I36-V103 HydrophobicContact CD1-CG2 3.65Å; W55-V103 HydrophobicContact CE3-CG1 4.43Å; V60-V103 HydrophobicContact CB-CG1 3.95Å; V60-V103 HydrophobicContact CG1-CG1 4.11Å; V60-V103 HydrophobicContact CG2-CG1 3.95Å; I62-V103 HydrophobicContact CG2-CG2 4.29Å; Y93-V103 PolarHBondContact N-O 3.02Å; G94-V103 PolarHBondContact N-O 3.01Å; G94-V103 PolarHBondContact O-N 3.24Å
104	M	95.7	Very high	94.1	Very high	18 Å²	18	33.4 Å²	33.4	9%	0.089	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	166.3	-168.1	-59.9	177.4	-65.2	0	0	112.1	V60 A61 K63 L81 V90 K91 L92 L102 Y106	V60-M104 CarbonylContact C-O 3.52Å; V60-M104 VanDerWaalsContact CA-O 3.31Å; V60-M104 WeakPolarHBondContact CA-O 3.34Å; V60-M104 WeakPolarHBondContact CB-O 3.41Å; A61-M104 PolarHBondContact N-O 2.79Å; A61-M104 PolarHBondContact O-N 3.14Å; K63-M104 HydrophobicContact CB-CE 3.79Å; L81-M104 HydrophobicContact CD1-SD 4.07Å; V90-M104 HydrophobicContact CG1-CB 3.85Å; V90-M104 HydrophobicContact CG1-CG 4.34Å; V90-M104 HydrophobicContact CG1-SD 4.2Å; K91-M104 CarbonylContact O-C 3.58Å; K91-M104 WeakPolarHBondContact O-CA 3.5Å; L92-M104 HydrophobicContact CD1-CG 4.08Å; L102-M104 HydrophobicContact CB-CG 4.23Å; L102-M104 HydrophobicContact CB-SD 4.32Å; M104-Y106 PolarHBondContact O-N 3.43Å
105	E	95.1	Very high	94.1	Very high	42 Å²	42	33.7 Å²	33.7	20%	0.196	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	126	166.4	-178.1	177.1	-171.3	0	0	111.2	V90 K91 Y93 K172	V90-E105 HydrophobicContact CG1-CB 4.48Å; K91-E105 HydrophobicContact CB-CB 4.17Å; K91-E105 PolarHBondContact O-N 2.86Å; Y93-E105 HydrophobicContact CE2-CB 4.19Å; E105-K172 VanDerWaalsContact CD-CE 3.48Å; E105-K172 WeakPolarHBondContact OE1-CE 3.21Å; E105-K172 IonicContact OE1-NZ 3.94Å; E105-K172 PolarHBondContact OE1-NZ 3.39Å; E105-K172 VanDerWaalsContact OE2-CE 3.3Å; E105-K172 WeakPolarHBondContact OE2-CE 3.41Å; E105-K172 IonicContact OE2-NZ 3.83Å; E105-K172 PolarHBondContact OE2-NZ 3.5Å
106	Y	96.7	Very high	94.2	Very high	56 Å²	56	33.8 Å²	33.8	22%	0.22	19%	0.185	C	C	.	.			trans	-75.3	129.9	170.5	-176.4	-109.2	0	0	0	109.8	V42 K52 D59 A61 M104 E108	V42-Y106 HydrophobicContact CG1-CE2 4.3Å; K52-Y106 HydrophobicContact CB-CD2 4.35Å; K52-Y106 HydrophobicContact CB-CE2 3.88Å; K52-Y106 HydrophobicContact CD-CE1 4.14Å; K52-Y106 HydrophobicContact CD-CE2 3.87Å; K52-Y106 HydrophobicContact CG-CD2 3.98Å; K52-Y106 HydrophobicContact CG-CE2 3.67Å; D59-Y106 HydrophobicContact CB-CD1 4.33Å; A61-Y106 HydrophobicContact CB-CD2 4.25Å; M104-Y106 PolarHBondContact O-N 3.43Å; Y106-E108 HydrophobicContact CD1-CB 4.4Å; Y106-E108 HydrophobicContact CE1-CB 4.09Å
107	A	96.3	Very high	94.2	Very high	10 Å²	10	35.4 Å²	35.4	8%	0.083	19%	0.192	C	C	.	.			trans	-104.7	103	177.8	0	0	0	0	0	110.9	G109 G110 L163 V165	A107-G109 VanDerWaalsContact C-N 3.28Å; A107-G109 PolarHBondContact O-N 3.28Å; A107-G110 PolarHBondContact O-N 3.19Å; A107-L163 HydrophobicContact CB-CB 3.62Å; A107-L163 HydrophobicContact CB-CD1 3.78Å; A107-L163 HydrophobicContact CB-CG 4.28Å; A107-V165 HydrophobicContact CB-CG1 3.59Å
108	E	94	Very high	94.3	Very high	103 Å²	103	33.4 Å²	33.4	48%	0.481	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.5	-168.9	77.4	-73.6	-179.9	0	0	114.4	Y106 G110 V165 A166 G167	Y106-E108 HydrophobicContact CD1-CB 4.4Å; Y106-E108 HydrophobicContact CE1-CB 4.09Å; E108-G110 VanDerWaalsContact C-N 3.29Å; E108-V165 VanDerWaalsContact OE1-C 3.31Å; E108-V165 WeakPolarHBondContact OE1-CA 3.34Å; E108-V165 WeakPolarHBondContact OE2-CB 3.34Å; E108-V165 WeakPolarHBondContact OE2-CG1 3.46Å; E108-A166 WeakPolarHBondContact OE1-CA 3.3Å; E108-A166 PolarHBondContact OE1-N 2.91Å; E108-G167 PolarHBondContact OE1-N 2.83Å
109	G	92.3	Very high	94.3	Very high	20 Å²	20	30.5 Å²	30.5	21%	0.206	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.4	176.9	0	0	0	0	0	114.2	A107 L164	A107-G109 VanDerWaalsContact C-N 3.28Å; A107-G109 PolarHBondContact O-N 3.28Å; G109-L164 WeakPolarHBondContact CA-O 3.37Å; G109-L164 PolarHBondContact N-O 3.14Å
110	G	93.9	Very high	94.3	Very high	28 Å²	28	36.3 Å²	36.3	29%	0.289	21%	0.207	S	C	.	.			trans	66.2	-159.7	-176.5	0	0	0	0	0	113	A107 E108 L163 L164	A107-G110 PolarHBondContact O-N 3.19Å; E108-G110 VanDerWaalsContact C-N 3.29Å; G110-L163 CarbonylContact O-C 3.58Å; G110-L163 WeakPolarHBondContact O-CA 3.16Å; G110-L164 PolarHBondContact O-N 3.14Å
111	S	95.4	Very high	94.3	Very high	17 Å²	17	37.6 Å²	37.6	12%	0.119	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-80.2	150	179.1	69.4	0	0	0	0	112.2	Y113 N114 V115 L162	S111-Y113 PolarHBondContact O-N 3.43Å; S111-N114 PolarHBondContact O-N 3.21Å; S111-N114 PolarHBondContact OG-N 3.35Å; S111-N114 PolarHBondContact OG-OD1 2.75Å; S111-V115 PolarHBondContact O-N 3.36Å; S111-L162 CarbonylContact C-O 3.58Å; S111-L162 WeakPolarHBondContact CA-O 3.34Å
112	L	97.9	Very high	94.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-33.5	171.1	-179.5	62.4	0	0	0	110.5	N114 V115 L116 W133 P159 L162 L164 L171 V222	L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.29Å; L112-V115 PolarHBondContact O-N 2.89Å; L112-L116 HydrophobicContact CD1-CD1 4.31Å; L112-L116 HydrophobicContact CD1-CG 4.18Å; L112-L116 HydrophobicContact CG-CD1 3.95Å; L112-L116 HydrophobicContact CG-CG 4.26Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.49Å; L112-W133 HydrophobicContact CD1-CD2 3.89Å; L112-W133 HydrophobicContact CD1-CE3 3.6Å; L112-W133 HydrophobicContact CD1-CH2 4.27Å; L112-W133 HydrophobicContact CD1-CZ3 3.81Å; L112-P159 HydrophobicContact CB-CB 4.18Å; L112-P159 HydrophobicContact CD2-CB 4.35Å; L112-P159 HydrophobicContact CG-CB 4.23Å; L112-P159 PolarHBondContact N-O 3.24Å; L112-L162 HydrophobicContact CB-CB 4.06Å; L112-L162 WeakPolarHBondContact CB-O 3.49Å; L112-L162 HydrophobicContact CD2-CB 4.36Å; L112-L162 HydrophobicContact CD2-CD1 3.97Å; L112-L162 PolarHBondContact N-O 3.18Å; L112-L164 HydrophobicContact CD1-CD1 4.05Å; L112-L171 HydrophobicContact CD2-CD1 4.19Å; L112-V222 HydrophobicContact CD2-CG1 3.95Å
113	Y	96	Very high	94.3	Very high	58 Å²	58	40.1 Å²	40.1	23%	0.227	23%	0.229	C	C	.	.	H	α-helix	trans	-57	-45.8	173.5	-169.1	-92.4	0	0	0	112.3	S111 V115 L116 H117 P159 P160 W195 K227	S111-Y113 PolarHBondContact O-N 3.43Å; Y113-V115 VanDerWaalsContact C-N 3.32Å; Y113-V115 PolarHBondContact O-N 3.24Å; Y113-L116 PolarHBondContact O-N 2.87Å; Y113-H117 AromaticContact CD2-CD2 3.84Å; Y113-H117 HydrophobicContact CE1-CB 4.31Å; Y113-H117 AromaticContact CE2-CD2 3.77Å; Y113-H117 PolarHBondContact O-N 3.21Å; Y113-P159 HydrophobicContact CD2-CB 4.35Å; Y113-P159 PolarHBondContact N-O 3.2Å; Y113-P160 HydrophobicContact CD2-CG 3.9Å; Y113-P160 HydrophobicContact CG-CG 3.96Å; Y113-W195 HydrophobicContact CE2-CH2 4.46Å; Y113-K227 WeakPolarHBondContact OH-CE 3.47Å; Y113-K227 PolarHBondContact OH-NZ 2.81Å; Y113-K227 VanDerWaalsContact OH-NZ 3.14Å
114	N	93.6	Very high	94.2	Very high	72 Å²	72	46 Å²	46	39%	0.385	25%	0.252	S	S	.	.	H	α-helix	trans	-67.1	-34.9	179.5	-73.8	5	0	0	0	111.8	S111 L112 G118	S111-N114 PolarHBondContact O-N 3.21Å; S111-N114 PolarHBondContact OG-N 3.35Å; S111-N114 PolarHBondContact OG-OD1 2.75Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.29Å; N114-G118 WeakPolarHBondContact O-CA 3.39Å; N114-G118 PolarHBondContact O-N 3.23Å
115	V	96.2	Very high	94.3	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-37.5	174.2	165.2	0	0	0	0	112.2	S111 L112 Y113 P123 W133 L164 R225 L298	S111-V115 PolarHBondContact O-N 3.36Å; L112-V115 PolarHBondContact O-N 2.89Å; Y113-V115 VanDerWaalsContact C-N 3.32Å; Y113-V115 PolarHBondContact O-N 3.24Å; V115-P123 HydrophobicContact CB-CG 4.45Å; V115-P123 HydrophobicContact CG1-CG 3.82Å; V115-P123 HydrophobicContact CG2-CG 4.49Å; V115-W133 HydrophobicContact CG1-CH2 4Å; V115-W133 HydrophobicContact CG1-CZ2 4.49Å; V115-L164 HydrophobicContact CB-CD1 4.1Å; V115-L164 HydrophobicContact CG1-CD1 4.27Å; V115-L164 HydrophobicContact CG2-CD1 3.67Å; V115-R225 PolarHBondContact O-NH2 2.85Å; V115-L298 HydrophobicContact CG1-CD1 3.82Å; V115-L298 HydrophobicContact CG2-CD1 4.2Å
116	L	97.1	Very high	94.4	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-79.1	-47.2	-179.3	-65	174.2	0	0	0	112.5	L112 Y113 Y125 W133 E221 V222 R225	L112-L116 HydrophobicContact CD1-CD1 4.31Å; L112-L116 HydrophobicContact CD1-CG 4.18Å; L112-L116 HydrophobicContact CG-CD1 3.95Å; L112-L116 HydrophobicContact CG-CG 4.26Å; L112-L116 VanDerWaalsContact O-CG 3.26Å; L112-L116 WeakPolarHBondContact O-CG 3.46Å; L112-L116 PolarHBondContact O-N 3.49Å; Y113-L116 PolarHBondContact O-N 2.87Å; L116-Y125 HydrophobicContact CD2-CE1 3.73Å; L116-W133 HydrophobicContact CD2-CZ3 4.41Å; L116-E221 HydrophobicContact CD1-CG 3.95Å; L116-V222 HydrophobicContact CD1-CG1 4.02Å; L116-V222 HydrophobicContact CD2-CG1 4.44Å; L116-R225 HydrophobicContact CD2-CG 4.31Å; L116-R225 PolarHBondContact O-NE 2.67Å
117	H	95.2	Very high	94.4	Very high	34 Å²	34	43.7 Å²	43.7	16%	0.157	25%	0.25	C	C	.	.	H	α-helix	trans	-135	9.9	-162.9	-46.5	-62	0	0	0	114.5	Y113 E221 R226	Y113-H117 AromaticContact CD2-CD2 3.84Å; Y113-H117 HydrophobicContact CE1-CB 4.31Å; Y113-H117 AromaticContact CE2-CD2 3.77Å; Y113-H117 PolarHBondContact O-N 3.21Å; H117-E221 IonicContact CD2-OE1 3.29Å; H117-E221 PolarHBondContact CD2-OE1 3.22Å; H117-E221 IonicContact CE1-OE1 3.99Å; H117-E221 IonicContact NE2-OE1 3.75Å; H117-E221 PolarHBondContact NE2-OE1 3.15Å; H117-R226 VanDerWaalsContact CE1-C 3.49Å
118	G	91.3	Very high	94.5	Very high	23 Å²	23	43.4 Å²	43.4	24%	0.237	25%	0.248	C	C	.	.	S	Bend	trans	-71	-166.9	179.8	0	0	0	0	0	113.8	N114 L122	N114-G118 WeakPolarHBondContact O-CA 3.39Å; N114-G118 PolarHBondContact O-N 3.23Å; G118-L122 WeakPolarHBondContact O-CD2 3.1Å
119	A	88.6	Confident	94.7	Very high	83 Å²	83	38.9 Å²	38.9	69%	0.686	23%	0.226	S	C	*	.	S	Bend	trans	-66.9	144.6	176.7	0	0	0	0	0	111.6
120	E	90	Very high	95	Very high	169 Å²	169	38 Å²	38	79%	0.79	22%	0.218	S	C	*	.	S	Bend	trans	-67.6	148	171.5	-67.9	-173.1	178.6	0	0	111.4
121	P	91.9	Very high	95.3	Very high	48 Å²	48	36.9 Å²	36.9	31%	0.312	21%	0.205	S	C	.	.	S	Bend	cis	-78.5	126.4	3.3	29.1	-32.3	0	0	0	113.6	P301	P121-P301 HydrophobicContact CB-CG 3.77Å
122	L	92.2	Very high	95.4	Very high	50 Å²	50	36.8 Å²	36.8	26%	0.262	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-77.2	141.1	174.7	-72.4	178	0	0	0	111.3	G118 P301	G118-L122 WeakPolarHBondContact O-CD2 3.1Å; L122-P301 WeakPolarHBondContact O-CD 3.32Å
123	P	94.4	Very high	95.5	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.019	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-70.8	150	178	28.8	-33.6	0	0	0	111.3	V115 R225 L298 Y300	V115-P123 HydrophobicContact CB-CG 4.45Å; V115-P123 HydrophobicContact CG1-CG 3.82Å; V115-P123 HydrophobicContact CG2-CG 4.49Å; P123-R225 PolarHBondContact O-NH1 2.87Å; P123-R225 PolarHBondContact O-NH2 2.86Å; P123-L298 HydrophobicContact CB-CB 4.19Å; P123-L298 HydrophobicContact CB-CD1 4.48Å; P123-L298 HydrophobicContact CG-CD1 4.31Å; P123-Y300 HydrophobicContact CB-CD1 3.78Å; P123-Y300 HydrophobicContact CB-CE1 3.64Å; P123-Y300 HydrophobicContact CB-CE2 4.37Å; P123-Y300 HydrophobicContact CB-CG 4.22Å; P123-Y300 HydrophobicContact CG-CD1 4.27Å; P123-Y300 HydrophobicContact CG-CE1 3.71Å
124	Y	94.8	Very high	95.6	Very high	125 Å²	125	34 Å²	34	49%	0.49	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-79.3	134.3	165.8	173.2	-96.4	0	0	0	109.6	T126 Q299	Y124-T126 HydrophobicContact CE1-CG2 3.68Å; Y124-Q299 PolarHBondContact N-O 3.47Å
125	Y	97.5	Very high	95.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.008	18%	0.18	C	C	.	.			trans	-132.8	159.4	171.7	72.1	-94.2	0	0	0	110.3	L116 H129 A130 W133 V222 R225	L116-Y125 HydrophobicContact CD2-CE1 3.73Å; Y125-H129 HydrophobicContact CD2-CB 4.34Å; Y125-A130 HydrophobicContact CD2-CB 4.49Å; Y125-A130 HydrophobicContact CE2-CB 4.16Å; Y125-W133 HydrophobicContact CD1-CH2 4.16Å; Y125-W133 HydrophobicContact CD1-CZ3 4.32Å; Y125-W133 HydrophobicContact CD2-CH2 4.03Å; Y125-W133 AromaticContact CD2-CZ3 3.79Å; Y125-W133 HydrophobicContact CD2-CZ3 3.79Å; Y125-W133 HydrophobicContact CE2-CZ3 4.14Å; Y125-W133 AromaticContact CG-CH2 3.71Å; Y125-W133 HydrophobicContact CG-CH2 3.71Å; Y125-W133 AromaticContact CG-CZ3 3.9Å; Y125-W133 HydrophobicContact CG-CZ3 3.9Å; Y125-V222 VanDerWaalsContact CE2-O 3.23Å; Y125-V222 WeakPolarHBondContact CE2-O 3.43Å; Y125-V222 PolarHBondContact OH-O 3.02Å; Y125-R225 HydrophobicContact CE1-CG 4Å; Y125-R225 VanDerWaalsContact OH-CB 3.32Å; Y125-R225 WeakPolarHBondContact OH-CB 3.3Å
126	T	97.3	Very high	96	Very high	38 Å²	38	32.1 Å²	32.1	23%	0.233	18%	0.182	C	C	.	.			trans	-105.6	167.4	-176.1	70.8	0	0	0	0	111.5	Y124 A128 H129 A130	Y124-T126 HydrophobicContact CE1-CG2 3.68Å; T126-A128 PolarHBondContact O-N 3.02Å; T126-A128 VanDerWaalsContact O-N 3.16Å; T126-A128 WeakPolarHBondContact OG1-CB 3.36Å; T126-A128 PolarHBondContact OG1-N 3.24Å; T126-H129 PolarHBondContact N-ND1 3.42Å; T126-H129 VanDerWaalsContact N-ND1 3.12Å; T126-H129 WeakPolarHBondContact O-CB 3.15Å; T126-H129 PolarHBondContact O-N 3.31Å; T126-H129 VanDerWaalsContact O-N 3.07Å; T126-H129 PolarHBondContact OG1-N 2.96Å; T126-H129 PolarHBondContact OG1-ND1 3.07Å; T126-A130 PolarHBondContact O-N 3.41Å; T126-A130 VanDerWaalsContact O-N 3.14Å
127	A	97.3	Very high	96.1	Very high	26 Å²	26	32 Å²	32	22%	0.215	18%	0.182	C	C	.	.	H	α-helix	trans	-55.6	-29.9	169	0	0	0	0	0	112.5	A130 M131 F291 T344 L348	A127-A130 PolarHBondContact O-N 3.24Å; A127-M131 WeakPolarHBondContact O-CB 3.44Å; A127-M131 VanDerWaalsContact O-CG 3.23Å; A127-M131 WeakPolarHBondContact O-CG 3.27Å; A127-M131 PolarHBondContact O-N 2.91Å; A127-F291 HydrophobicContact CB-CD1 4.04Å; A127-F291 HydrophobicContact CB-CE1 3.97Å; A127-T344 HydrophobicContact CB-CG2 4.43Å; A127-L348 HydrophobicContact CB-CD1 4.35Å
128	A	98.2	Very high	96.2	Very high	5 Å²	5	30.4 Å²	30.4	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-39.9	175.9	0	0	0	0	0	112.8	T126 S132 F291 P292 A294	T126-A128 PolarHBondContact O-N 3.02Å; T126-A128 VanDerWaalsContact O-N 3.16Å; T126-A128 WeakPolarHBondContact OG1-CB 3.36Å; T126-A128 PolarHBondContact OG1-N 3.24Å; A128-S132 WeakPolarHBondContact O-CB 3.21Å; A128-S132 PolarHBondContact O-N 3.03Å; A128-F291 HydrophobicContact CB-CB 4.05Å; A128-F291 WeakPolarHBondContact CB-O 3.42Å; A128-P292 WeakPolarHBondContact CB-O 3.5Å; A128-A294 HydrophobicContact CB-CB 4.14Å
129	H	98.5	Very high	96.6	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.032	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-50.7	171.8	-66.8	90.8	0	0	0	111.2	Y125 T126 M131 S132 W133 E296	Y125-H129 HydrophobicContact CD2-CB 4.34Å; T126-H129 PolarHBondContact N-ND1 3.42Å; T126-H129 VanDerWaalsContact N-ND1 3.12Å; T126-H129 WeakPolarHBondContact O-CB 3.15Å; T126-H129 PolarHBondContact O-N 3.31Å; T126-H129 VanDerWaalsContact O-N 3.07Å; T126-H129 PolarHBondContact OG1-N 2.96Å; T126-H129 PolarHBondContact OG1-ND1 3.07Å; H129-M131 VanDerWaalsContact C-N 3.35Å; H129-M131 PolarHBondContact O-N 2.89Å; H129-S132 PolarHBondContact O-N 3.42Å; H129-S132 VanDerWaalsContact O-N 3.13Å; H129-W133 HydrophobicContact CB-CD2 4.38Å; H129-W133 HydrophobicContact CB-CE3 4.48Å; H129-W133 HydrophobicContact CB-CH2 3.99Å; H129-W133 HydrophobicContact CB-CZ2 3.85Å; H129-W133 HydrophobicContact CB-CZ3 4.29Å; H129-W133 VanDerWaalsContact O-CD2 3.31Å; H129-W133 PolarHBondContact O-N 3.39Å; H129-E296 PolarHBondContact NE2-O 3.39Å
130	A	98.5	Very high	97.1	Very high	3 Å²	3	28.3 Å²	28.3	3%	0.025	14%	0.144	C	C	.	.	H	α-helix	trans	-55.6	-47.8	-179.8	0	0	0	0	0	112.4	Y125 T126 A127 C134 V222	Y125-A130 HydrophobicContact CD2-CB 4.49Å; Y125-A130 HydrophobicContact CE2-CB 4.16Å; T126-A130 PolarHBondContact O-N 3.41Å; T126-A130 VanDerWaalsContact O-N 3.14Å; A127-A130 PolarHBondContact O-N 3.24Å; A130-C134 PolarHBondContact O-N 3.09Å; A130-C134 PolarHBondContact O-SG 3.4Å; A130-V222 HydrophobicContact CB-CB 4.07Å; A130-V222 HydrophobicContact CB-CG2 3.84Å
131	M	98.6	Very high	97.4	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.02	11%	0.107	C	C	.	.	H	α-helix	trans	-67.7	-38.5	178.1	-65	-60.5	-71.6	0	0	112.2	A127 H129 C134 L135 L219 I259 M284 L287 M288 F291	A127-M131 WeakPolarHBondContact O-CB 3.44Å; A127-M131 VanDerWaalsContact O-CG 3.23Å; A127-M131 WeakPolarHBondContact O-CG 3.27Å; A127-M131 PolarHBondContact O-N 2.91Å; H129-M131 VanDerWaalsContact C-N 3.35Å; H129-M131 PolarHBondContact O-N 2.89Å; M131-C134 PolarHBondContact O-N 3.26Å; M131-L135 WeakPolarHBondContact O-CB 3.49Å; M131-L135 PolarHBondContact O-N 3.16Å; M131-L219 HydrophobicContact SD-CD1 4.18Å; M131-I259 HydrophobicContact CE-CD1 3.84Å; M131-I259 HydrophobicContact CE-CG1 4.11Å; M131-I259 HydrophobicContact SD-CD1 4.05Å; M131-M284 HydrophobicContact CB-CE 4.31Å; M131-M284 HydrophobicContact CE-CE 3.48Å; M131-M284 VanDerWaalsContact CE-CE 3.48Å; M131-M284 HydrophobicContact CE-SD 3.59Å; M131-M284 VanDerWaalsContact CE-SD 3.59Å; M131-M284 VanDerWaalsContact O-CE 3.24Å; M131-M284 WeakPolarHBondContact O-CE 3.28Å; M131-M284 HydrophobicContact SD-CE 4.05Å; M131-L287 HydrophobicContact CE-CB 4.26Å; M131-L287 HydrophobicContact CE-CD1 3.97Å; M131-M288 HydrophobicContact CB-SD 3.66Å; M131-F291 HydrophobicContact CB-CD2 4.37Å; M131-F291 HydrophobicContact CB-CG 4.37Å; M131-F291 HydrophobicContact CE-CD2 4.46Å; M131-F291 HydrophobicContact CE-CE2 4.03Å; M131-F291 HydrophobicContact CG-CD1 4.1Å; M131-F291 HydrophobicContact CG-CD2 3.94Å; M131-F291 HydrophobicContact CG-CE1 4.12Å; M131-F291 HydrophobicContact CG-CE2 3.98Å; M131-F291 HydrophobicContact CG-CG 4.02Å; M131-F291 HydrophobicContact CG-CZ 4.08Å
132	S	98.7	Very high	97.8	Very high	14 Å²	14	19 Å²	19	10%	0.098	10%	0.1	C	C	.	.	H	α-helix	trans	-65.1	-46.1	177.5	-178.7	0	0	0	0	112.3	A128 H129 C134 L135 Q136	A128-S132 WeakPolarHBondContact O-CB 3.21Å; A128-S132 PolarHBondContact O-N 3.03Å; H129-S132 PolarHBondContact O-N 3.42Å; H129-S132 VanDerWaalsContact O-N 3.13Å; S132-C134 VanDerWaalsContact C-N 3.31Å; S132-C134 PolarHBondContact O-N 3.05Å; S132-L135 PolarHBondContact O-N 3.03Å; S132-Q136 WeakPolarHBondContact O-CB 3.34Å; S132-Q136 VanDerWaalsContact O-CG 3.28Å; S132-Q136 WeakPolarHBondContact O-CG 3.39Å; S132-Q136 PolarHBondContact O-N 2.94Å; S132-Q136 PolarHBondContact O-NE2 3.19Å; S132-Q136 PolarHBondContact OG-NE2 2.87Å
133	W	98.8	Very high	98	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-57.9	-45.3	175.2	-64.4	-29.6	0	0	0	111.3	L112 V115 L116 Y125 H129 Q136 C137 L164 G168 L171 V222 L298	L112-W133 HydrophobicContact CD1-CD2 3.89Å; L112-W133 HydrophobicContact CD1-CE3 3.6Å; L112-W133 HydrophobicContact CD1-CH2 4.27Å; L112-W133 HydrophobicContact CD1-CZ3 3.81Å; V115-W133 HydrophobicContact CG1-CH2 4Å; V115-W133 HydrophobicContact CG1-CZ2 4.49Å; L116-W133 HydrophobicContact CD2-CZ3 4.41Å; Y125-W133 HydrophobicContact CD1-CH2 4.16Å; Y125-W133 HydrophobicContact CD1-CZ3 4.32Å; Y125-W133 HydrophobicContact CD2-CH2 4.03Å; Y125-W133 AromaticContact CD2-CZ3 3.79Å; Y125-W133 HydrophobicContact CD2-CZ3 3.79Å; Y125-W133 HydrophobicContact CE2-CZ3 4.14Å; Y125-W133 AromaticContact CG-CH2 3.71Å; Y125-W133 HydrophobicContact CG-CH2 3.71Å; Y125-W133 AromaticContact CG-CZ3 3.9Å; Y125-W133 HydrophobicContact CG-CZ3 3.9Å; H129-W133 HydrophobicContact CB-CD2 4.38Å; H129-W133 HydrophobicContact CB-CE3 4.48Å; H129-W133 HydrophobicContact CB-CH2 3.99Å; H129-W133 HydrophobicContact CB-CZ2 3.85Å; H129-W133 HydrophobicContact CB-CZ3 4.29Å; H129-W133 VanDerWaalsContact O-CD2 3.31Å; H129-W133 PolarHBondContact O-N 3.39Å; W133-Q136 PolarHBondContact O-N 3.23Å; W133-C137 WeakPolarHBondContact O-CB 3.31Å; W133-C137 PolarHBondContact O-N 3.1Å; W133-L164 HydrophobicContact CG-CD2 4.43Å; W133-L164 HydrophobicContact CZ2-CD1 4.27Å; W133-G168 PolarHBondContact NE1-O 3.33Å; W133-L171 HydrophobicContact CB-CD1 3.73Å; W133-L171 HydrophobicContact CG-CD1 4.24Å; W133-V222 HydrophobicContact CE3-CG1 4.27Å; W133-L298 HydrophobicContact CH2-CD2 4.22Å; W133-L298 HydrophobicContact CZ2-CD1 4.08Å; W133-L298 HydrophobicContact CZ2-CD2 3.95Å; W133-L298 HydrophobicContact CZ2-CG 4.41Å
134	C	98.9	Very high	98.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-39.6	177.8	-67.4	0	0	0	0	112.5	A130 M131 S132 C137 S138 W215 L219 V222 M284	A130-C134 PolarHBondContact O-N 3.09Å; A130-C134 PolarHBondContact O-SG 3.4Å; M131-C134 PolarHBondContact O-N 3.26Å; S132-C134 VanDerWaalsContact C-N 3.31Å; S132-C134 PolarHBondContact O-N 3.05Å; C134-C137 PolarHBondContact O-N 3.05Å; C134-S138 PolarHBondContact O-N 2.78Å; C134-S138 PolarHBondContact O-OG 2.83Å; C134-W215 HydrophobicContact CB-CZ2 3.73Å; C134-W215 PolarHBondContact O-NE1 3.35Å; C134-L219 HydrophobicContact CB-CD1 4.15Å; C134-V222 WeakPolarHBondContact SG-CG2 3.33Å; C134-M284 HydrophobicContact CB-CE 3.69Å
135	L	98.9	Very high	98.1	Very high	18 Å²	18	14.9 Å²	14.9	9%	0.094	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-50.5	173.7	172.5	59.3	0	0	0	110.9	M131 S132 C137 S138 Q139 V281 M284 M288	M131-L135 WeakPolarHBondContact O-CB 3.49Å; M131-L135 PolarHBondContact O-N 3.16Å; S132-L135 PolarHBondContact O-N 3.03Å; L135-C137 VanDerWaalsContact C-N 3.33Å; L135-C137 PolarHBondContact O-N 3.3Å; L135-S138 WeakPolarHBondContact CA-OG 3.39Å; L135-S138 PolarHBondContact O-N 2.76Å; L135-S138 VanDerWaalsContact O-N 3.07Å; L135-S138 PolarHBondContact O-OG 3.34Å; L135-Q139 HydrophobicContact CD1-CG 4.11Å; L135-Q139 HydrophobicContact CG-CG 4.5Å; L135-Q139 WeakPolarHBondContact O-CG 3.36Å; L135-Q139 PolarHBondContact O-N 3.41Å; L135-V281 HydrophobicContact CD1-CG1 4.45Å; L135-M284 HydrophobicContact CB-CB 4.11Å; L135-M284 HydrophobicContact CB-CE 4.49Å; L135-M284 HydrophobicContact CD1-CB 3.69Å; L135-M284 HydrophobicContact CG-CB 4.41Å; L135-M288 HydrophobicContact CD2-CG 3.55Å
136	Q	98.9	Very high	98.1	Very high	19 Å²	19	18.2 Å²	18.2	9%	0.089	11%	0.105	C	C	.	.	H	α-helix	trans	-61	-40.9	179.6	-74.3	-178.2	74.1	0	0	112.3	N88 S132 W133 Q139 G140 T169 V170 L171	N88-Q136 VanDerWaalsContact CB-O 3.29Å; N88-Q136 WeakPolarHBondContact CB-O 3.07Å; N88-Q136 WeakPolarHBondContact ND2-CB 3.14Å; N88-Q136 PolarHBondContact ND2-OE1 2.89Å; S132-Q136 WeakPolarHBondContact O-CB 3.34Å; S132-Q136 VanDerWaalsContact O-CG 3.28Å; S132-Q136 WeakPolarHBondContact O-CG 3.39Å; S132-Q136 PolarHBondContact O-N 2.94Å; S132-Q136 PolarHBondContact O-NE2 3.19Å; S132-Q136 PolarHBondContact OG-NE2 2.87Å; W133-Q136 PolarHBondContact O-N 3.23Å; Q136-Q139 PolarHBondContact O-N 3.24Å; Q136-G140 PolarHBondContact O-N 2.78Å; Q136-T169 PolarHBondContact NE2-O 2.85Å; Q136-V170 VanDerWaalsContact OE1-CA 3.25Å; Q136-L171 HydrophobicContact CB-CB 4.03Å
137	C	98.8	Very high	97.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.9	-47.7	171.4	-174.8	0	0	0	0	110.8	W133 C134 L135 Q139 G140 V141 L171	W133-C137 WeakPolarHBondContact O-CB 3.31Å; W133-C137 PolarHBondContact O-N 3.1Å; C134-C137 PolarHBondContact O-N 3.05Å; L135-C137 VanDerWaalsContact C-N 3.33Å; L135-C137 PolarHBondContact O-N 3.3Å; C137-Q139 VanDerWaalsContact C-N 3.31Å; C137-Q139 PolarHBondContact O-N 2.97Å; C137-G140 PolarHBondContact O-N 3.43Å; C137-V141 VanDerWaalsContact O-CG2 3.26Å; C137-V141 WeakPolarHBondContact O-CG2 3.3Å; C137-V141 PolarHBondContact O-N 3.39Å; C137-L171 HydrophobicContact CB-CD2 4Å
138	S	98.8	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-35	179.1	68.5	0	0	0	0	112.8	C134 L135 V141 A142 M277 V281	C134-S138 PolarHBondContact O-N 2.78Å; C134-S138 PolarHBondContact O-OG 2.83Å; L135-S138 WeakPolarHBondContact CA-OG 3.39Å; L135-S138 PolarHBondContact O-N 2.76Å; L135-S138 VanDerWaalsContact O-N 3.07Å; L135-S138 PolarHBondContact O-OG 3.34Å; S138-V141 PolarHBondContact O-N 3.11Å; S138-A142 WeakPolarHBondContact O-CB 3.48Å; S138-A142 PolarHBondContact O-N 3.08Å; S138-M277 VanDerWaalsContact O-CG 3.31Å; S138-M277 WeakPolarHBondContact O-CG 3.32Å; S138-V281 VanDerWaalsContact C-CG2 3.45Å; S138-V281 WeakPolarHBondContact O-CG2 3.33Å; S138-V281 WeakPolarHBondContact OG-CG2 3.18Å
139	Q	98.8	Very high	97.1	Very high	62 Å²	62	27.9 Å²	27.9	29%	0.29	15%	0.152	S	C	.	.	H	α-helix	trans	-64.9	-47.3	175.5	-72	170.7	-37.3	0	0	111.2	L135 Q136 C137 A142 Y143 V281	L135-Q139 HydrophobicContact CD1-CG 4.11Å; L135-Q139 HydrophobicContact CG-CG 4.5Å; L135-Q139 WeakPolarHBondContact O-CG 3.36Å; L135-Q139 PolarHBondContact O-N 3.41Å; Q136-Q139 PolarHBondContact O-N 3.24Å; C137-Q139 VanDerWaalsContact C-N 3.31Å; C137-Q139 PolarHBondContact O-N 2.97Å; Q139-A142 PolarHBondContact O-N 3.48Å; Q139-Y143 PolarHBondContact O-N 3.17Å; Q139-V281 HydrophobicContact CG-CG1 3.98Å; Q139-V281 HydrophobicContact CG-CG2 4.05Å
140	G	98.3	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-46.4	175	0	0	0	0	0	112.2	Q136 C137 Y143 L144	Q136-G140 PolarHBondContact O-N 2.78Å; C137-G140 PolarHBondContact O-N 3.43Å; G140-Y143 WeakPolarHBondContact O-CB 3.29Å; G140-Y143 PolarHBondContact O-N 2.61Å; G140-L144 WeakPolarHBondContact O-CG 3.33Å; G140-L144 PolarHBondContact O-N 2.68Å; G140-L144 VanDerWaalsContact O-N 3.15Å
141	V	98.1	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-39.3	-179.8	179.7	0	0	0	0	112.2	C137 S138 Y143 L144 H145 L157 I173 D211 M277	C137-V141 VanDerWaalsContact O-CG2 3.26Å; C137-V141 WeakPolarHBondContact O-CG2 3.3Å; C137-V141 PolarHBondContact O-N 3.39Å; S138-V141 PolarHBondContact O-N 3.11Å; V141-Y143 VanDerWaalsContact C-N 3.28Å; V141-Y143 PolarHBondContact O-N 2.98Å; V141-L144 WeakPolarHBondContact O-CB 3.39Å; V141-L144 PolarHBondContact O-N 3.09Å; V141-L144 VanDerWaalsContact O-N 3.13Å; V141-H145 VanDerWaalsContact CG1-CE1 3.45Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.46Å; V141-H145 VanDerWaalsContact CG1-NE2 3.34Å; V141-H145 WeakPolarHBondContact CG1-NE2 3.39Å; V141-H145 PolarHBondContact O-CD2 3.07Å; V141-H145 PolarHBondContact O-N 2.84Å; V141-L157 HydrophobicContact CG1-CD1 4.31Å; V141-L157 HydrophobicContact CG2-CD1 3.52Å; V141-L157 HydrophobicContact CG2-CD2 4.04Å; V141-L157 HydrophobicContact CG2-CG 4.38Å; V141-I173 HydrophobicContact CG2-CD1 3.67Å; V141-D211 HydrophobicContact CG1-CB 3.96Å; V141-M277 HydrophobicContact CB-CE 4.25Å; V141-M277 HydrophobicContact CB-CG 3.88Å; V141-M277 HydrophobicContact CG1-CB 4.49Å; V141-M277 HydrophobicContact CG1-CE 3.81Å; V141-M277 HydrophobicContact CG1-CG 3.89Å
142	A	98.4	Very high	95.7	Very high	20 Å²	20	37.1 Å²	37.1	17%	0.165	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-39.2	174.7	0	0	0	0	0	111.6	S138 Q139 H145 S146 M277 V281	S138-A142 WeakPolarHBondContact O-CB 3.48Å; S138-A142 PolarHBondContact O-N 3.08Å; Q139-A142 PolarHBondContact O-N 3.48Å; A142-H145 PolarHBondContact O-N 2.86Å; A142-S146 WeakPolarHBondContact O-CB 3.46Å; A142-S146 PolarHBondContact O-N 3.03Å; A142-S146 PolarHBondContact O-OG 2.82Å; A142-M277 HydrophobicContact CB-CB 4.11Å; A142-M277 HydrophobicContact CB-CG 4.01Å; A142-V281 HydrophobicContact CB-CG2 3.96Å
143	Y	97.9	Very high	95.4	Very high	61 Å²	61	37.7 Å²	37.7	24%	0.239	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-48.1	172	168.4	-93.6	0	0	0	111.4	V84 N85 H86 I89 Q139 G140 V141 H145 S146 M147	V84-Y143 HydrophobicContact CB-CE1 3.96Å; V84-Y143 HydrophobicContact CG1-CE1 4.1Å; N85-Y143 PolarHBondContact N-OH 3.36Å; H86-Y143 HydrophobicContact CB-CD1 3.82Å; H86-Y143 HydrophobicContact CB-CD2 4.38Å; H86-Y143 HydrophobicContact CB-CE1 4.07Å; H86-Y143 HydrophobicContact CB-CG 3.98Å; H86-Y143 AromaticContact CD2-CD2 3.94Å; H86-Y143 AromaticContact CD2-CG 3.77Å; H86-Y143 AromaticContact CG-CG 4Å; I89-Y143 HydrophobicContact CD1-CD1 3.61Å; I89-Y143 HydrophobicContact CD1-CE1 4.04Å; Q139-Y143 PolarHBondContact O-N 3.17Å; G140-Y143 WeakPolarHBondContact O-CB 3.29Å; G140-Y143 PolarHBondContact O-N 2.61Å; V141-Y143 VanDerWaalsContact C-N 3.28Å; V141-Y143 PolarHBondContact O-N 2.98Å; Y143-H145 PolarHBondContact O-N 3.3Å; Y143-S146 PolarHBondContact O-N 3.26Å; Y143-S146 VanDerWaalsContact O-N 3.14Å; Y143-S146 PolarHBondContact O-OG 3.26Å; Y143-M147 HydrophobicContact CE1-SD 4.48Å; Y143-M147 PolarHBondContact O-N 3.46Å
144	L	95.6	Very high	95	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-46.5	177.1	-62.9	176.8	0	0	0	112.4	V84 I89 G140 V141 S146 M147 L152 H154 F176	V84-L144 HydrophobicContact CG1-CD2 3.73Å; I89-L144 HydrophobicContact CD1-CD1 4.42Å; I89-L144 HydrophobicContact CD1-CD2 3.5Å; I89-L144 HydrophobicContact CD1-CG 3.85Å; G140-L144 WeakPolarHBondContact O-CG 3.33Å; G140-L144 PolarHBondContact O-N 2.68Å; G140-L144 VanDerWaalsContact O-N 3.15Å; V141-L144 WeakPolarHBondContact O-CB 3.39Å; V141-L144 PolarHBondContact O-N 3.09Å; V141-L144 VanDerWaalsContact O-N 3.13Å; L144-S146 PolarHBondContact O-N 2.94Å; L144-M147 HydrophobicContact CD2-SD 4.06Å; L144-M147 WeakPolarHBondContact O-CB 3.38Å; L144-M147 WeakPolarHBondContact O-CG 3.47Å; L144-M147 PolarHBondContact O-N 3.14Å; L144-L152 CarbonylContact C-O 3.57Å; L144-L152 HydrophobicContact CB-CB 4.29Å; L144-L152 WeakPolarHBondContact CB-O 3.26Å; L144-L152 HydrophobicContact CD2-CB 4.44Å; L144-L152 HydrophobicContact CD2-CD2 3.97Å; L144-L152 PolarHBondContact O-N 3.26Å; L144-H154 HydrophobicContact CD1-CB 4.46Å; L144-F176 HydrophobicContact CD1-CE1 3.68Å; L144-F176 HydrophobicContact CD1-CZ 4.42Å; L144-F176 HydrophobicContact CD2-CE1 4Å; L144-F176 HydrophobicContact CG-CE1 4.47Å
145	H	95.9	Very high	94.5	Very high	32 Å²	32	39.3 Å²	39.3	15%	0.148	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-25.3	179.2	-67.3	-176.1	0	0	0	112.5	V141 A142 Y143 A151 L152 E208 D211	V141-H145 VanDerWaalsContact CG1-CE1 3.45Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.46Å; V141-H145 VanDerWaalsContact CG1-NE2 3.34Å; V141-H145 WeakPolarHBondContact CG1-NE2 3.39Å; V141-H145 PolarHBondContact O-CD2 3.07Å; V141-H145 PolarHBondContact O-N 2.84Å; A142-H145 PolarHBondContact O-N 2.86Å; Y143-H145 PolarHBondContact O-N 3.3Å; H145-A151 WeakPolarHBondContact O-CB 3.43Å; H145-L152 PolarHBondContact CD2-O 3.39Å; H145-E208 PolarHBondContact CE1-O 2.85Å; H145-D211 IonicContact CD2-OD2 2.66Å; H145-D211 IonicContact CE1-OD2 3.39Å; H145-D211 IonicContact NE2-OD2 2.96Å; H145-D211 PolarHBondContact NE2-OD2 3.34Å
146	S	96	Very high	94.1	Very high	72 Å²	72	39 Å²	39	50%	0.503	21%	0.205	S	C	.	.	H	α-helix	trans	-85.7	-8.1	178.1	76.4	0	0	0	0	114.8	A142 Y143 L144	A142-S146 WeakPolarHBondContact O-CB 3.46Å; A142-S146 PolarHBondContact O-N 3.03Å; A142-S146 PolarHBondContact O-OG 2.82Å; Y143-S146 PolarHBondContact O-N 3.26Å; Y143-S146 VanDerWaalsContact O-N 3.14Å; Y143-S146 PolarHBondContact O-OG 3.26Å; L144-S146 PolarHBondContact O-N 2.94Å
147	M	92.8	Very high	93.9	Very high	17 Å²	17	38.2 Å²	38.2	8%	0.084	20%	0.201	C	C	.	.			trans	-59.9	142.8	-175.4	-70.8	-178.4	74.8	0	0	112.5	R83 V84 Y143 L144 K150 A151 L152	R83-M147 HydrophobicContact CB-CE 3.73Å; V84-M147 HydrophobicContact CG1-CE 3.89Å; V84-M147 HydrophobicContact CG1-SD 3.75Å; Y143-M147 HydrophobicContact CE1-SD 4.48Å; Y143-M147 PolarHBondContact O-N 3.46Å; L144-M147 HydrophobicContact CD2-SD 4.06Å; L144-M147 WeakPolarHBondContact O-CB 3.38Å; L144-M147 WeakPolarHBondContact O-CG 3.47Å; L144-M147 PolarHBondContact O-N 3.14Å; M147-K150 CarbonylContact O-C 3.4Å; M147-A151 PolarHBondContact O-N 3.06Å; M147-L152 HydrophobicContact SD-CB 3.71Å; M147-L152 HydrophobicContact SD-CD2 4.14Å
148	Q	89.8	Confident	93.7	Very high	149 Å²	149	39.6 Å²	39.6	70%	0.696	21%	0.207	S	C	*	.	S	Bend	trans	-111.5	152.3	177.2	-63.8	-61	-24.7	0	0	111.1	R83 K150	R83-Q148 PolarHBondContact NH2-O 3.43Å; Q148-K150 VanDerWaalsContact C-N 3.3Å
149	P	89.1	Confident	93.6	Very high	106 Å²	106	39.6 Å²	39.6	69%	0.688	21%	0.207	S	C	*	.	S	Bend	cis	-78.3	-7.4	-2.6	33.7	-37.2	0	0	0	114.1
150	K	87.4	Confident	93.3	Very high	159 Å²	159	38.9 Å²	38.9	69%	0.691	21%	0.208	S	C	*	.	S	Bend	trans	-133.4	131.3	-179.9	-174.3	179.5	178.7	178	0	109.2	M147 Q148	M147-K150 CarbonylContact O-C 3.4Å; Q148-K150 VanDerWaalsContact C-N 3.3Å
151	A	90.2	Very high	93.1	Very high	41 Å²	41	39.5 Å²	39.5	34%	0.339	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-55.1	137.9	172.2	0	0	0	0	0	110.7	H145 M147	H145-A151 WeakPolarHBondContact O-CB 3.43Å; M147-A151 PolarHBondContact O-N 3.06Å
152	L	90.4	Very high	93.1	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.042	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-93.7	124.7	171.9	-170.1	61.3	0	0	0	108.7	Q80 V84 L144 H145 M147 F176 A179	Q80-L152 HydrophobicContact CB-CD2 3.92Å; Q80-L152 VanDerWaalsContact CD-CD1 3.45Å; Q80-L152 HydrophobicContact CG-CD1 3.94Å; Q80-L152 HydrophobicContact CG-CD2 4.18Å; V84-L152 HydrophobicContact CG1-CD2 4.31Å; L144-L152 CarbonylContact C-O 3.57Å; L144-L152 HydrophobicContact CB-CB 4.29Å; L144-L152 WeakPolarHBondContact CB-O 3.26Å; L144-L152 HydrophobicContact CD2-CB 4.44Å; L144-L152 HydrophobicContact CD2-CD2 3.97Å; L144-L152 PolarHBondContact O-N 3.26Å; H145-L152 PolarHBondContact CD2-O 3.39Å; M147-L152 HydrophobicContact SD-CB 3.71Å; M147-L152 HydrophobicContact SD-CD2 4.14Å; L152-F176 HydrophobicContact CD2-CD1 4.17Å; L152-A179 HydrophobicContact CD1-CB 3.78Å; L152-A179 HydrophobicContact CG-CB 4.45Å
153	I	91	Very high	93	Very high	26 Å²	26	40.1 Å²	40.1	13%	0.133	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-102.4	130.9	176.2	-53	172.9	0	0	0	107.1	R155 E208 D211	I153-R155 HydrophobicContact CB-CG 4.03Å; I153-R155 HydrophobicContact CG2-CG 3.55Å; I153-E208 HydrophobicContact CD1-CB 4.41Å; I153-E208 HydrophobicContact CG1-CB 4.08Å; I153-D211 WeakPolarHBondContact CG2-OD2 3.41Å
154	H	91.4	Very high	93	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.			trans	-73.9	-46.1	-176.8	-169.9	-74.3	0	0	0	111.8	L144 D156 L157 I173 C174 F176 D211	L144-H154 HydrophobicContact CD1-CB 4.46Å; H154-D156 PolarHBondContact CE1-O 2.94Å; H154-D156 VanDerWaalsContact ND1-C 3.3Å; H154-D156 PolarHBondContact ND1-N 2.98Å; H154-D156 PolarHBondContact ND1-O 2.87Å; H154-D156 PolarHBondContact O-N 3.22Å; H154-L157 HydrophobicContact CB-CD1 4.43Å; H154-L157 HydrophobicContact CB-CD2 4.36Å; H154-L157 HydrophobicContact CB-CG 3.94Å; H154-L157 PolarHBondContact ND1-N 3.44Å; H154-I173 WeakPolarHBondContact CD2-CG2 3.4Å; H154-I173 VanDerWaalsContact NE2-CG2 3.28Å; H154-I173 WeakPolarHBondContact NE2-CG2 3.31Å; H154-C174 PolarHBondContact NE2-O 3.39Å; H154-C174 VanDerWaalsContact NE2-O 3.07Å; H154-F176 AromaticContact CD2-CE1 3.79Å; H154-D211 PolarHBondContact N-OD2 3.29Å
155	R	88.8	Confident	93.1	Very high	36 Å²	36	37.8 Å²	37.8	14%	0.136	20%	0.204	C	C	.	.			trans	69.6	-18.7	175.2	-49	172.9	176.5	-178.5	-6.2	116.7	I153 T178 A179 C180 H185 Y206 D211	I153-R155 HydrophobicContact CB-CG 4.03Å; I153-R155 HydrophobicContact CG2-CG 3.55Å; R155-T178 PolarHBondContact NH1-O 2.83Å; R155-A179 PolarHBondContact NE-O 3.45Å; R155-A179 PolarHBondContact NH1-O 2.78Å; R155-C180 VanDerWaalsContact NH1-C 3.28Å; R155-H185 WeakPolarHBondContact CB-CE1 3.47Å; R155-H185 WeakPolarHBondContact CB-NE2 2.96Å; R155-H185 WeakPolarHBondContact CD-NE2 3.19Å; R155-Y206 WeakPolarHBondContact CD-OH 3.29Å; R155-Y206 HydrophobicContact CG-CE2 4.18Å; R155-Y206 PolarHBondContact NE-OH 2.74Å; R155-Y206 PolarHBondContact NH1-OH 2.71Å; R155-D211 PolarHBondContact N-OD1 2.74Å
156	D	89.3	Confident	93.2	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.064	22%	0.218	C	C	.	.			trans	-128.1	47.5	176.6	-165.9	40.3	0	0	0	111.9	H154 K158 N161 S192	H154-D156 PolarHBondContact CE1-O 2.94Å; H154-D156 VanDerWaalsContact ND1-C 3.3Å; H154-D156 PolarHBondContact ND1-N 2.98Å; H154-D156 PolarHBondContact ND1-O 2.87Å; H154-D156 PolarHBondContact O-N 3.22Å; D156-K158 VanDerWaalsContact CG-NZ 3.29Å; D156-K158 PolarHBondContact O-N 2.79Å; D156-K158 IonicContact OD1-NZ 3.64Å; D156-K158 PolarHBondContact OD1-NZ 2.82Å; D156-K158 VanDerWaalsContact OD1-NZ 3.11Å; D156-K158 VanDerWaalsContact OD2-CE 3.31Å; D156-K158 WeakPolarHBondContact OD2-CE 3.31Å; D156-K158 IonicContact OD2-NZ 3.03Å; D156-K158 PolarHBondContact OD2-NZ 3.05Å; D156-N161 PolarHBondContact O-ND2 3.23Å; D156-N161 PolarHBondContact OD2-ND2 2.99Å; D156-S192 VanDerWaalsContact OD1-CB 3.32Å; D156-S192 WeakPolarHBondContact OD1-CB 3.43Å; D156-S192 PolarHBondContact OD1-OG 2.85Å
157	L	94.8	Very high	93.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.213	C	C	.	.			trans	-73	117.9	175.6	-82.2	174	0	0	0	110.4	V141 H154 L162 I173 W195 D211 S214 I218	V141-L157 HydrophobicContact CG1-CD1 4.31Å; V141-L157 HydrophobicContact CG2-CD1 3.52Å; V141-L157 HydrophobicContact CG2-CD2 4.04Å; V141-L157 HydrophobicContact CG2-CG 4.38Å; H154-L157 HydrophobicContact CB-CD1 4.43Å; H154-L157 HydrophobicContact CB-CD2 4.36Å; H154-L157 HydrophobicContact CB-CG 3.94Å; H154-L157 PolarHBondContact ND1-N 3.44Å; L157-L162 HydrophobicContact CD2-CD2 4.15Å; L157-I173 HydrophobicContact CD2-CG2 4.22Å; L157-W195 WeakPolarHBondContact O-CB 3.36Å; L157-D211 HydrophobicContact CD1-CB 3.65Å; L157-S214 WeakPolarHBondContact O-CB 3.43Å; L157-I218 HydrophobicContact CB-CD1 4.23Å
158	K	95	Very high	93.4	Very high	30 Å²	30	36.6 Å²	36.6	13%	0.13	21%	0.21	C	C	.	.	S	Bend	trans	-160.7	155.4	179	57.4	-171.5	-169.1	-147.5	0	109.6	D156 P160 N161 S192 W195	D156-K158 VanDerWaalsContact CG-NZ 3.29Å; D156-K158 PolarHBondContact O-N 2.79Å; D156-K158 IonicContact OD1-NZ 3.64Å; D156-K158 PolarHBondContact OD1-NZ 2.82Å; D156-K158 VanDerWaalsContact OD1-NZ 3.11Å; D156-K158 VanDerWaalsContact OD2-CE 3.31Å; D156-K158 WeakPolarHBondContact OD2-CE 3.31Å; D156-K158 IonicContact OD2-NZ 3.03Å; D156-K158 PolarHBondContact OD2-NZ 3.05Å; K158-P160 VanDerWaalsContact C-N 3.27Å; K158-P160 HydrophobicContact CD-CG 4.48Å; K158-P160 HydrophobicContact CG-CB 4.38Å; K158-P160 HydrophobicContact CG-CG 4.29Å; K158-P160 VanDerWaalsContact O-N 3.13Å; K158-N161 WeakPolarHBondContact CE-ND2 3.32Å; K158-N161 HydrophobicContact CG-CB 4.33Å; K158-N161 PolarHBondContact O-N 2.95Å; K158-S192 PolarHBondContact NZ-OG 2.86Å; K158-W195 HydrophobicContact CB-CB 4.39Å; K158-W195 HydrophobicContact CB-CD2 3.71Å; K158-W195 HydrophobicContact CB-CE3 3.8Å; K158-W195 HydrophobicContact CB-CG 3.96Å; K158-W195 HydrophobicContact CB-CZ3 4.37Å; K158-W195 HydrophobicContact CD-CE3 4.41Å
159	P	96.1	Very high	93.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-54.4	-30.9	-178	-21	29.2	0	0	0	115.8	L112 Y113 N161 L162 W195 E221	L112-P159 HydrophobicContact CB-CB 4.18Å; L112-P159 HydrophobicContact CD2-CB 4.35Å; L112-P159 HydrophobicContact CG-CB 4.23Å; L112-P159 PolarHBondContact N-O 3.24Å; Y113-P159 HydrophobicContact CD2-CB 4.35Å; Y113-P159 PolarHBondContact N-O 3.2Å; P159-N161 PolarHBondContact O-N 3.24Å; P159-L162 PolarHBondContact O-N 2.82Å; P159-W195 VanDerWaalsContact CD-CE2 3.47Å; P159-W195 HydrophobicContact CG-CZ2 4.15Å; P159-E221 VanDerWaalsContact CG-CD 3.5Å; P159-E221 WeakPolarHBondContact CG-OE2 3.33Å
160	P	92.6	Very high	94.2	Very high	46 Å²	46	27.5 Å²	27.5	30%	0.299	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-57.6	-31	170.9	-30.4	36.2	0	0	0	114.6	Y113 K158	Y113-P160 HydrophobicContact CD2-CG 3.9Å; Y113-P160 HydrophobicContact CG-CG 3.96Å; K158-P160 VanDerWaalsContact C-N 3.27Å; K158-P160 HydrophobicContact CD-CG 4.48Å; K158-P160 HydrophobicContact CG-CB 4.38Å; K158-P160 HydrophobicContact CG-CG 4.29Å; K158-P160 VanDerWaalsContact O-N 3.13Å
161	N	94.8	Very high	94.8	Very high	13 Å²	13	20 Å²	20	7%	0.07	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-96.2	8	-178.1	-64.6	-6.9	0	0	0	112.6	D156 K158 P159 C174	D156-N161 PolarHBondContact O-ND2 3.23Å; D156-N161 PolarHBondContact OD2-ND2 2.99Å; K158-N161 WeakPolarHBondContact CE-ND2 3.32Å; K158-N161 HydrophobicContact CG-CB 4.33Å; K158-N161 PolarHBondContact O-N 2.95Å; P159-N161 PolarHBondContact O-N 3.24Å; N161-C174 PolarHBondContact O-N 2.95Å; N161-C174 PolarHBondContact O-SG 2.94Å
162	L	97.4	Very high	95.2	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.3	175.5	-55.9	-179.3	0	0	0	108.3	S111 L112 L157 P159 L171 I173 I218	S111-L162 CarbonylContact C-O 3.58Å; S111-L162 WeakPolarHBondContact CA-O 3.34Å; L112-L162 HydrophobicContact CB-CB 4.06Å; L112-L162 WeakPolarHBondContact CB-O 3.49Å; L112-L162 HydrophobicContact CD2-CB 4.36Å; L112-L162 HydrophobicContact CD2-CD1 3.97Å; L112-L162 PolarHBondContact N-O 3.18Å; L157-L162 HydrophobicContact CD2-CD2 4.15Å; P159-L162 PolarHBondContact O-N 2.82Å; L162-L171 HydrophobicContact CB-CD1 4.08Å; L162-L171 HydrophobicContact CB-CD2 4.43Å; L162-L171 HydrophobicContact CB-CG 4.29Å; L162-L171 HydrophobicContact CD1-CD1 4.24Å; L162-L171 HydrophobicContact CD2-CD2 4.24Å; L162-I173 HydrophobicContact CD2-CB 4.43Å; L162-I173 HydrophobicContact CD2-CG1 3.84Å; L162-I218 HydrophobicContact CD1-CD1 4.08Å; L162-I218 HydrophobicContact CD1-CG2 4.18Å
163	L	97.6	Very high	95.5	Very high	34 Å²	34	18.7 Å²	18.7	18%	0.178	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	154.7	-178.3	-53.8	-178.1	0	0	0	111.1	V90 A107 G110 L171 K172 C174	V90-L163 HydrophobicContact CG2-CD1 3.82Å; A107-L163 HydrophobicContact CB-CB 3.62Å; A107-L163 HydrophobicContact CB-CD1 3.78Å; A107-L163 HydrophobicContact CB-CG 4.28Å; G110-L163 CarbonylContact O-C 3.58Å; G110-L163 WeakPolarHBondContact O-CA 3.16Å; L163-L171 CarbonylContact O-C 3.49Å; L163-L171 WeakPolarHBondContact O-CA 3.41Å; L163-K172 PolarHBondContact N-O 3.17Å; L163-K172 PolarHBondContact O-N 3.05Å; L163-C174 HydrophobicContact CD1-CB 4Å; L163-C174 HydrophobicContact CG-CB 4.25Å
164	L	98.2	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.8	178.9	-66.6	176.5	0	0	0	111.5	G109 G110 L112 V115 W133 V170 L171 L298	G109-L164 WeakPolarHBondContact CA-O 3.37Å; G109-L164 PolarHBondContact N-O 3.14Å; G110-L164 PolarHBondContact O-N 3.14Å; L112-L164 HydrophobicContact CD1-CD1 4.05Å; V115-L164 HydrophobicContact CB-CD1 4.1Å; V115-L164 HydrophobicContact CG1-CD1 4.27Å; V115-L164 HydrophobicContact CG2-CD1 3.67Å; W133-L164 HydrophobicContact CG-CD2 4.43Å; W133-L164 HydrophobicContact CZ2-CD1 4.27Å; L164-V170 CarbonylContact C-O 3.1Å; L164-V170 WeakPolarHBondContact CA-O 3.46Å; L164-L171 HydrophobicContact CD2-CB 3.99Å; L164-L171 HydrophobicContact CD2-CD1 4.35Å; L164-L171 HydrophobicContact CD2-CG 4.34Å; L164-L298 HydrophobicContact CD1-CD1 4.5Å
165	V	97.3	Very high	95	Very high	11 Å²	11	19.4 Å²	19.4	7%	0.067	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	177.7	175.5	-54	0	0	0	0	110.5	A107 E108 G167 G168 T169 V170 K172	A107-V165 HydrophobicContact CB-CG1 3.59Å; E108-V165 VanDerWaalsContact OE1-C 3.31Å; E108-V165 WeakPolarHBondContact OE1-CA 3.34Å; E108-V165 WeakPolarHBondContact OE2-CB 3.34Å; E108-V165 WeakPolarHBondContact OE2-CG1 3.46Å; V165-G167 PolarHBondContact O-N 2.91Å; V165-G168 PolarHBondContact O-N 3.44Å; V165-G168 VanDerWaalsContact O-N 3.14Å; V165-T169 PolarHBondContact O-N 3.1Å; V165-V170 HydrophobicContact CG2-CB 3.64Å; V165-V170 HydrophobicContact CG2-CG1 3.69Å; V165-V170 PolarHBondContact N-O 3.03Å; V165-V170 PolarHBondContact O-N 3.22Å; V165-V170 VanDerWaalsContact O-N 3.1Å; V165-K172 HydrophobicContact CG1-CD 4.15Å; V165-K172 HydrophobicContact CG2-CD 4.11Å
166	A	97	Very high	94.2	Very high	54 Å²	54	17.7 Å²	17.7	45%	0.446	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	50.7	-177.7	0	0	0	0	0	112	E108 G168 T169 V170	E108-A166 WeakPolarHBondContact OE1-CA 3.3Å; E108-A166 PolarHBondContact OE1-N 2.91Å; A166-G168 VanDerWaalsContact C-N 3.26Å; A166-G168 PolarHBondContact O-N 3.14Å; A166-T169 PolarHBondContact O-N 3.43Å; A166-T169 PolarHBondContact O-OG1 3.43Å; A166-V170 HydrophobicContact CB-CB 4.28Å; A166-V170 HydrophobicContact CB-CG2 3.95Å
167	G	95.8	Very high	92.8	Very high	40 Å²	40	17.3 Å²	17.3	41%	0.412	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	24	-180	0	0	0	0	0	114.1	E108 V165 P297 L298	E108-G167 PolarHBondContact OE1-N 2.83Å; V165-G167 PolarHBondContact O-N 2.91Å; G167-P297 WeakPolarHBondContact O-CA 3.47Å; G167-L298 PolarHBondContact O-N 3.48Å
168	G	97	Very high	91.2	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.021	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	5.3	178.2	0	0	0	0	0	115.2	W133 V165 A166	W133-G168 PolarHBondContact NE1-O 3.33Å; V165-G168 PolarHBondContact O-N 3.44Å; V165-G168 VanDerWaalsContact O-N 3.14Å; A166-G168 VanDerWaalsContact C-N 3.26Å; A166-G168 PolarHBondContact O-N 3.14Å
169	T	98.2	Very high	89.4	Confident	19 Å²	19	16.4 Å²	16.4	12%	0.117	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-27.4	-175	60.9	0	0	0	0	112.9	Q136 V165 A166 D295 E296	Q136-T169 PolarHBondContact NE2-O 2.85Å; V165-T169 PolarHBondContact O-N 3.1Å; A166-T169 PolarHBondContact O-N 3.43Å; A166-T169 PolarHBondContact O-OG1 3.43Å; T169-D295 WeakPolarHBondContact CG2-O 3.4Å; T169-E296 VanDerWaalsContact CG2-O 3.27Å; T169-E296 WeakPolarHBondContact CG2-O 3.49Å
170	V	98.6	Very high	87.1	Confident	46 Å²	46	19.3 Å²	19.3	28%	0.279	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128	-178.1	176.1	0	0	0	0	110.2	Q136 L164 V165 A166	Q136-V170 VanDerWaalsContact OE1-CA 3.25Å; L164-V170 CarbonylContact C-O 3.1Å; L164-V170 WeakPolarHBondContact CA-O 3.46Å; V165-V170 HydrophobicContact CG2-CB 3.64Å; V165-V170 HydrophobicContact CG2-CG1 3.69Å; V165-V170 PolarHBondContact N-O 3.03Å; V165-V170 PolarHBondContact O-N 3.22Å; V165-V170 VanDerWaalsContact O-N 3.1Å; A166-V170 HydrophobicContact CB-CB 4.28Å; A166-V170 HydrophobicContact CB-CG2 3.95Å
171	L	98.7	Very high	85	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.3	179.6	-178.2	151.8	0	0	0	111.3	N88 L112 W133 Q136 C137 L162 L163 L164 I173	N88-L171 VanDerWaalsContact CA-O 3.29Å; N88-L171 WeakPolarHBondContact CA-O 3.34Å; N88-L171 WeakPolarHBondContact CB-O 3.08Å; N88-L171 PolarHBondContact ND2-O 2.86Å; L112-L171 HydrophobicContact CD2-CD1 4.19Å; W133-L171 HydrophobicContact CB-CD1 3.73Å; W133-L171 HydrophobicContact CG-CD1 4.24Å; Q136-L171 HydrophobicContact CB-CB 4.03Å; C137-L171 HydrophobicContact CB-CD2 4Å; L162-L171 HydrophobicContact CB-CD1 4.08Å; L162-L171 HydrophobicContact CB-CD2 4.43Å; L162-L171 HydrophobicContact CB-CG 4.29Å; L162-L171 HydrophobicContact CD1-CD1 4.24Å; L162-L171 HydrophobicContact CD2-CD2 4.24Å; L163-L171 CarbonylContact O-C 3.49Å; L163-L171 WeakPolarHBondContact O-CA 3.41Å; L164-L171 HydrophobicContact CD2-CB 3.99Å; L164-L171 HydrophobicContact CD2-CD1 4.35Å; L164-L171 HydrophobicContact CD2-CG 4.34Å; L171-I173 HydrophobicContact CD2-CG1 4.37Å
172	K	98.3	Very high	82.5	Confident	21 Å²	21	23.7 Å²	23.7	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.9	177.9	-70.4	174.4	177.5	-90.6	0	111.5	P87 N88 V90 E105 L163 V165	P87-K172 PolarHBondContact O-NZ 3.49Å; P87-K172 VanDerWaalsContact O-NZ 3.17Å; N88-K172 WeakPolarHBondContact O-CA 3.01Å; V90-K172 HydrophobicContact CG2-CB 3.94Å; E105-K172 VanDerWaalsContact CD-CE 3.48Å; E105-K172 WeakPolarHBondContact OE1-CE 3.21Å; E105-K172 IonicContact OE1-NZ 3.94Å; E105-K172 PolarHBondContact OE1-NZ 3.39Å; E105-K172 VanDerWaalsContact OE2-CE 3.3Å; E105-K172 WeakPolarHBondContact OE2-CE 3.41Å; E105-K172 IonicContact OE2-NZ 3.83Å; E105-K172 PolarHBondContact OE2-NZ 3.5Å; L163-K172 PolarHBondContact N-O 3.17Å; L163-K172 PolarHBondContact O-N 3.05Å; V165-K172 HydrophobicContact CG1-CD 4.15Å; V165-K172 HydrophobicContact CG2-CD 4.11Å
173	I	97.2	Very high	79.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.9	175.7	-57.4	165	0	0	0	109.7	N88 I89 V90 V141 H154 L157 L162 L171 F176	N88-I173 WeakPolarHBondContact O-CG1 3.3Å; N88-I173 PolarHBondContact O-N 2.76Å; I89-I173 HydrophobicContact CG1-CB 4.46Å; V90-I173 PolarHBondContact N-O 3.45Å; V141-I173 HydrophobicContact CG2-CD1 3.67Å; H154-I173 WeakPolarHBondContact CD2-CG2 3.4Å; H154-I173 VanDerWaalsContact NE2-CG2 3.28Å; H154-I173 WeakPolarHBondContact NE2-CG2 3.31Å; L157-I173 HydrophobicContact CD2-CG2 4.22Å; L162-I173 HydrophobicContact CD2-CB 4.43Å; L162-I173 HydrophobicContact CD2-CG1 3.84Å; L171-I173 HydrophobicContact CD2-CG1 4.37Å; I173-F176 HydrophobicContact CG2-CZ 4.16Å
174	C	91.8	Very high	77.2	Confident	22 Å²	22	31.1 Å²	31.1	15%	0.149	19%	0.189	C	C	.	.			trans	-137.5	178	177.2	74.3	0	0	0	0	112.1	V90 H154 N161 L163	V90-C174 HydrophobicContact CB-CB 4.34Å; V90-C174 HydrophobicContact CG2-CB 3.73Å; H154-C174 PolarHBondContact NE2-O 3.39Å; H154-C174 VanDerWaalsContact NE2-O 3.07Å; N161-C174 PolarHBondContact O-N 2.95Å; N161-C174 PolarHBondContact O-SG 2.94Å; L163-C174 HydrophobicContact CD1-CB 4Å; L163-C174 HydrophobicContact CG-CB 4.25Å
175	D	81	Confident	74.5	Confident	19 Å²	19	31.5 Å²	31.5	10%	0.102	19%	0.191	C	C	.	.			trans	64.6	73.4	177	-156.1	14.6	0	0	0	115.4	K63 G177	K63-D175 IonicContact NZ-OD1 3.75Å; K63-D175 PolarHBondContact NZ-OD1 3.38Å; D175-G177 VanDerWaalsContact C-N 3.29Å; D175-G177 PolarHBondContact O-N 3.47Å
176	F	72.6	Confident	71.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.189	C	C	.	.			trans	-89.1	9.9	178.4	-61.6	-87.5	0	0	0	113.4	E77 Q80 L81 I89 L144 L152 H154 I173 T178 A179	E77-F176 HydrophobicContact CG-CB 4.35Å; Q80-F176 HydrophobicContact CB-CB 4.34Å; L81-F176 HydrophobicContact CD2-CD2 3.34Å; L81-F176 HydrophobicContact CD2-CE2 3.45Å; L81-F176 VanDerWaalsContact CD2-CE2 3.45Å; L81-F176 HydrophobicContact CD2-CG 4.42Å; L81-F176 HydrophobicContact CG-CD2 3.83Å; L81-F176 HydrophobicContact CG-CE2 4.42Å; I89-F176 HydrophobicContact CG2-CE2 3.77Å; I89-F176 HydrophobicContact CG2-CZ 3.59Å; L144-F176 HydrophobicContact CD1-CE1 3.68Å; L144-F176 HydrophobicContact CD1-CZ 4.42Å; L144-F176 HydrophobicContact CD2-CE1 4Å; L144-F176 HydrophobicContact CG-CE1 4.47Å; L152-F176 HydrophobicContact CD2-CD1 4.17Å; H154-F176 AromaticContact CD2-CE1 3.79Å; I173-F176 HydrophobicContact CG2-CZ 4.16Å; F176-T178 PolarHBondContact O-N 3.38Å; F176-T178 VanDerWaalsContact O-N 3.08Å; F176-A179 WeakPolarHBondContact O-CB 3.47Å; F176-A179 PolarHBondContact O-N 3.48Å; F176-A179 VanDerWaalsContact O-N 3.09Å
177	G	59.3	Low	69.1	Low	4 Å²	4	31.5 Å²	31.5	4%	0.041	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.7	-173.9	0	0	0	0	0	114.5	D175	D175-G177 VanDerWaalsContact C-N 3.29Å; D175-G177 PolarHBondContact O-N 3.47Å
178	T	60.6	Low	66.6	Low	8 Å²	8	32.8 Å²	32.8	5%	0.049	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-3.1	-179.3	56	0	0	0	0	114.2	F47 R155 F176 C180 H185	F47-T178 HydrophobicContact CE2-CG2 4.47Å; R155-T178 PolarHBondContact NH1-O 2.83Å; F176-T178 PolarHBondContact O-N 3.38Å; F176-T178 VanDerWaalsContact O-N 3.08Å; T178-C180 PolarHBondContact O-N 2.83Å; T178-H185 PolarHBondContact O-NE2 3.32Å
179	A	57	Low	64.3	Low	5 Å²	5	33.3 Å²	33.3	4%	0.041	19%	0.185	C	C	.	.	S	Bend	trans	-64.3	-14.9	-168.4	0	0	0	0	0	114.7	Q80 L152 R155 F176	Q80-A179 HydrophobicContact CG-CB 4.49Å; L152-A179 HydrophobicContact CD1-CB 3.78Å; L152-A179 HydrophobicContact CG-CB 4.45Å; R155-A179 PolarHBondContact NE-O 3.45Å; R155-A179 PolarHBondContact NH1-O 2.78Å; F176-A179 WeakPolarHBondContact O-CB 3.47Å; F176-A179 PolarHBondContact O-N 3.48Å; F176-A179 VanDerWaalsContact O-N 3.09Å
180	C	48.6	Very low	62.1	Low	61 Å²	61	41.8 Å²	41.8	41%	0.412	22%	0.22	S	C	.	.	S	Bend	trans	-116.8	-22.1	-176.5	-67.3	0	0	0	0	116.1	V76 Q80 R155 T178	V76-C180 HydrophobicContact CG1-CB 3.7Å; V76-C180 HydrophobicContact CG2-CB 4.43Å; Q80-C180 PolarHBondContact NE2-SG 3.25Å; R155-C180 VanDerWaalsContact NH1-C 3.28Å; T178-C180 PolarHBondContact O-N 2.83Å
181	D	47.1	Very low	60.5	Low	69 Å²	69	42.1 Å²	42.1	37%	0.369	23%	0.232	S	C	.	.			trans	-120.4	114.1	-164.9	-163.9	-12.4	0	0	0	113.2	Q183 T184 H185	D181-Q183 VanDerWaalsContact C-N 3.31Å; D181-Q183 PolarHBondContact OD1-N 3.45Å; D181-T184 HydrophobicContact CB-CG2 4.32Å; D181-T184 WeakPolarHBondContact CB-OG1 3.43Å; D181-T184 PolarHBondContact O-OG1 3.3Å; D181-T184 VanDerWaalsContact O-OG1 3.05Å; D181-H185 PolarHBondContact O-CD2 2.94Å; D181-H185 VanDerWaalsContact O-CD2 3.3Å
182	I	43.9	Very low	59.7	Low	81 Å²	81	42.2 Å²	42.2	42%	0.415	23%	0.233	S	C	.	.	H	α-helix	trans	-68.9	-31.5	179.1	-65	169.7	0	0	0	110.3	Y206 M498	I182-Y206 HydrophobicContact CG1-CE1 4.41Å; I182-M498 HydrophobicContact CG2-CE 3.37Å; I182-M498 HydrophobicContact CG2-SD 4.16Å
183	Q	38	Very low	59.1	Low	152 Å²	152	41.3 Å²	41.3	71%	0.71	23%	0.23	S	C	*	.	H	α-helix	trans	-78	-33.7	-175.6	-71.5	-177.1	-26.9	0	0	112.2	D181 H185	D181-Q183 VanDerWaalsContact C-N 3.31Å; D181-Q183 PolarHBondContact OD1-N 3.45Å; Q183-H185 VanDerWaalsContact C-N 3.26Å; Q183-H185 PolarHBondContact O-N 3.01Å
184	T	44.7	Very low	59	Low	39 Å²	39	41.7 Å²	41.7	24%	0.239	23%	0.233	C	C	.	.	H	α-helix	trans	-72.2	-20.6	175.8	50.1	0	0	0	0	113.4	D181 M186	D181-T184 HydrophobicContact CB-CG2 4.32Å; D181-T184 WeakPolarHBondContact CB-OG1 3.43Å; D181-T184 PolarHBondContact O-OG1 3.3Å; D181-T184 VanDerWaalsContact O-OG1 3.05Å; T184-M186 VanDerWaalsContact C-N 3.35Å; T184-M186 PolarHBondContact O-N 2.87Å
185	H	42.8	Very low	59.1	Low	8 Å²	8	41.6 Å²	41.6	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-40.9	-170.5	-111.7	-68.9	0	0	0	112.7	R155 T178 D181 Q183 N189	R155-H185 WeakPolarHBondContact CB-CE1 3.47Å; R155-H185 WeakPolarHBondContact CB-NE2 2.96Å; R155-H185 WeakPolarHBondContact CD-NE2 3.19Å; T178-H185 PolarHBondContact O-NE2 3.32Å; D181-H185 PolarHBondContact O-CD2 2.94Å; D181-H185 VanDerWaalsContact O-CD2 3.3Å; Q183-H185 VanDerWaalsContact C-N 3.26Å; Q183-H185 PolarHBondContact O-N 3.01Å; H185-N189 WeakPolarHBondContact O-CB 3.49Å; H185-N189 PolarHBondContact O-ND2 3.36Å; H185-N189 PolarHBondContact O-OD1 3.45Å
186	M	42.1	Very low	59.7	Low	7 Å²	7	41.2 Å²	41.2	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-93.3	-27.9	-165.7	-68.5	-98.6	-99.1	0	0	113.9	T184 N188 F201 M498 L501 T502	T184-M186 VanDerWaalsContact C-N 3.35Å; T184-M186 PolarHBondContact O-N 2.87Å; M186-N188 VanDerWaalsContact C-N 3.35Å; M186-F201 HydrophobicContact SD-CB 4.34Å; M186-M498 HydrophobicContact CE-CB 3.31Å; M186-M498 WeakPolarHBondContact CE-O 3.48Å; M186-M498 HydrophobicContact CG-CE 4.47Å; M186-L501 CarbonylContact C-O 3.55Å; M186-L501 HydrophobicContact CB-CB 3.14Å; M186-L501 HydrophobicContact CB-CD1 3.52Å; M186-L501 HydrophobicContact CB-CG 3.93Å; M186-L501 HydrophobicContact CE-CB 4.45Å; M186-L501 HydrophobicContact CG-CB 4.11Å; M186-L501 HydrophobicContact CG-CD1 3.92Å; M186-T502 HydrophobicContact SD-CG2 4.38Å
187	T	38.6	Very low	60.6	Low	58 Å²	58	41.3 Å²	41.3	36%	0.356	23%	0.228	S	C	.	.	H	α-helix	trans	-70.7	-29.1	172.9	38	0	0	0	0	113	Q508	T187-Q508 VanDerWaalsContact CG2-OE1 3.3Å
188	N	43	Very low	62.1	Low	67 Å²	67	41.2 Å²	41.2	36%	0.358	23%	0.226	S	C	.	.	S	Bend	trans	-96.2	-3.2	-177.8	-86.3	13.4	0	0	0	114.7	F47 M186 K190	F47-N188 WeakPolarHBondContact CE1-ND2 3.23Å; F47-N188 WeakPolarHBondContact CZ-ND2 3.39Å; M186-N188 VanDerWaalsContact C-N 3.35Å; N188-K190 PolarHBondContact O-N 3.25Å
189	N	49.1	Very low	63.5	Low	13 Å²	13	41.4 Å²	41.4	7%	0.07	23%	0.227	C	C	.	.			trans	-77	30.3	-174.9	-89.1	-14.8	0	0	0	114.9	H185 G191 M196	H185-N189 WeakPolarHBondContact O-CB 3.49Å; H185-N189 PolarHBondContact O-ND2 3.36Å; H185-N189 PolarHBondContact O-OD1 3.45Å; N189-G191 PolarHBondContact O-N 2.94Å; N189-M196 HydrophobicContact CB-CE 4.07Å; N189-M196 WeakPolarHBondContact ND2-CE 3.39Å
190	K	52.2	Low	64.9	Low	196 Å²	196	41.7 Å²	41.7	85%	0.852	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	84.7	167.5	-70.6	-174.8	-179.7	179.3	0	108.9	N188	N188-K190 PolarHBondContact O-N 3.25Å
191	G	65	Low	66.3	Low	53 Å²	53	39.4 Å²	39.4	55%	0.546	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	129.4	-13.4	173	0	0	0	0	0	116.2	N189 W195	N189-G191 PolarHBondContact O-N 2.94Å; G191-W195 WeakPolarHBondContact O-CZ3 3.49Å
192	S	81.4	Confident	67.7	Low	4 Å²	4	38.4 Å²	38.4	3%	0.028	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-8.9	-175.5	-62.3	0	0	0	0	115.3	D156 K158 A194 W195 M196	D156-S192 VanDerWaalsContact OD1-CB 3.32Å; D156-S192 WeakPolarHBondContact OD1-CB 3.43Å; D156-S192 PolarHBondContact OD1-OG 2.85Å; K158-S192 PolarHBondContact NZ-OG 2.86Å; S192-A194 PolarHBondContact O-N 3.39Å; S192-W195 PolarHBondContact O-N 3.21Å; S192-M196 PolarHBondContact O-N 3.15Å
193	A	86.3	Confident	68.9	Low	2 Å²	2	35.6 Å²	35.6	2%	0.017	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.9	-172.9	0	0	0	0	0	114.3	W195 M196 A236 I239 M240	A193-W195 VanDerWaalsContact C-N 3.31Å; A193-W195 PolarHBondContact O-N 3.23Å; A193-M196 PolarHBondContact O-N 3.39Å; A193-A236 HydrophobicContact CB-CB 3.94Å; A193-I239 HydrophobicContact CB-CB 4.23Å; A193-I239 HydrophobicContact CB-CG2 4.22Å; A193-M240 HydrophobicContact CB-CE 4.02Å; A193-M240 HydrophobicContact CB-CG 4.16Å
194	A	93.2	Very high	70.4	Confident	8 Å²	8	30.2 Å²	30.2	7%	0.066	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-22.3	-177	0	0	0	0	0	114.3	S192 P228 F229	S192-A194 PolarHBondContact O-N 3.39Å; A194-P228 HydrophobicContact CB-CB 4.34Å; A194-P228 HydrophobicContact CB-CG 3.88Å; A194-F229 HydrophobicContact CB-CD2 3.93Å; A194-F229 VanDerWaalsContact O-CE2 3.27Å; A194-F229 WeakPolarHBondContact O-CE2 3.32Å
195	W	95.5	Very high	71.9	Confident	20 Å²	20	36.6 Å²	36.6	8%	0.076	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-6.8	178.5	-60.1	-88.7	0	0	0	113	Y113 L157 K158 P159 G191 S192 A193 F213 S214 I217 E221 P228	Y113-W195 HydrophobicContact CE2-CH2 4.46Å; L157-W195 WeakPolarHBondContact O-CB 3.36Å; K158-W195 HydrophobicContact CB-CB 4.39Å; K158-W195 HydrophobicContact CB-CD2 3.71Å; K158-W195 HydrophobicContact CB-CE3 3.8Å; K158-W195 HydrophobicContact CB-CG 3.96Å; K158-W195 HydrophobicContact CB-CZ3 4.37Å; K158-W195 HydrophobicContact CD-CE3 4.41Å; P159-W195 VanDerWaalsContact CD-CE2 3.47Å; P159-W195 HydrophobicContact CG-CZ2 4.15Å; G191-W195 WeakPolarHBondContact O-CZ3 3.49Å; S192-W195 PolarHBondContact O-N 3.21Å; A193-W195 VanDerWaalsContact C-N 3.31Å; A193-W195 PolarHBondContact O-N 3.23Å; W195-F213 WeakPolarHBondContact O-CD1 3.09Å; W195-S214 WeakPolarHBondContact O-CA 3.48Å; W195-S214 PolarHBondContact O-OG 3.41Å; W195-S214 VanDerWaalsContact O-OG 3.08Å; W195-I217 VanDerWaalsContact CD1-CG2 3.44Å; W195-I217 HydrophobicContact CG-CG2 4.19Å; W195-E221 WeakPolarHBondContact CZ2-OE2 3.5Å; W195-E221 PolarHBondContact NE1-OE2 2.64Å; W195-P228 HydrophobicContact CZ2-CG 3.85Å
196	M	91.8	Very high	73.8	Confident	11 Å²	11	38.4 Å²	38.4	5%	0.054	21%	0.214	C	C	.	.			trans	-80.1	134.3	-170.5	-164.3	-178.3	-38.5	0	0	112.3	N189 S192 A193 V200 F201 F213 M240	N189-M196 HydrophobicContact CB-CE 4.07Å; N189-M196 WeakPolarHBondContact ND2-CE 3.39Å; S192-M196 PolarHBondContact O-N 3.15Å; A193-M196 PolarHBondContact O-N 3.39Å; M196-V200 HydrophobicContact CG-CB 3.97Å; M196-V200 HydrophobicContact CG-CG1 3.94Å; M196-V200 HydrophobicContact SD-CB 4.39Å; M196-V200 HydrophobicContact SD-CG1 3.98Å; M196-F201 HydrophobicContact CB-CD1 4.3Å; M196-F201 HydrophobicContact CG-CD1 4.04Å; M196-F201 HydrophobicContact SD-CB 3.9Å; M196-F201 HydrophobicContact SD-CD1 3.87Å; M196-F201 HydrophobicContact SD-CG 4.4Å; M196-F213 VanDerWaalsContact O-CE1 3.26Å; M196-F213 WeakPolarHBondContact O-CE1 3.28Å; M196-M240 HydrophobicContact CE-CE 4.01Å
197	A	93.3	Very high	76	Confident	1 Å²	1	40 Å²	40	1%	0.008	23%	0.226	C	C	.	.			trans	-69.4	145.4	176.4	0	0	0	0	0	111.6	E199 V200 F201 C210 F213	A197-E199 VanDerWaalsContact C-N 3.35Å; A197-E199 WeakPolarHBondContact CB-OE1 3.37Å; A197-E199 WeakPolarHBondContact CB-OE2 3.39Å; A197-E199 PolarHBondContact O-N 2.95Å; A197-V200 HydrophobicContact CB-CG2 4.08Å; A197-V200 WeakPolarHBondContact O-CB 3.38Å; A197-V200 PolarHBondContact O-N 2.9Å; A197-V200 VanDerWaalsContact O-N 3.08Å; A197-F201 WeakPolarHBondContact O-CD1 3.38Å; A197-C210 HydrophobicContact CB-CB 3.92Å; A197-F213 HydrophobicContact CB-CB 3.66Å; A197-F213 HydrophobicContact CB-CD1 4.04Å; A197-F213 HydrophobicContact CB-CD2 4.25Å; A197-F213 HydrophobicContact CB-CG 3.73Å
198	P	90.9	Very high	78.6	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-41.6	-175.1	20.9	-31.7	0	0	0	114.4	V200 F201 E202 V243	P198-V200 PolarHBondContact O-N 3.34Å; P198-V200 VanDerWaalsContact O-N 3.12Å; P198-F201 HydrophobicContact CB-CE1 4.44Å; P198-F201 HydrophobicContact CB-CE2 4.21Å; P198-F201 HydrophobicContact CB-CZ 3.86Å; P198-F201 VanDerWaalsContact O-CD2 3.32Å; P198-F201 WeakPolarHBondContact O-CD2 3.46Å; P198-F201 WeakPolarHBondContact O-CE2 3.27Å; P198-F201 PolarHBondContact O-N 3.33Å; P198-E202 WeakPolarHBondContact CB-OE1 3.36Å; P198-E202 WeakPolarHBondContact O-CB 3.48Å; P198-E202 WeakPolarHBondContact O-CG 3.32Å; P198-E202 PolarHBondContact O-N 2.96Å; P198-V243 HydrophobicContact CB-CG1 4.4Å
199	E	89	Confident	81.2	Confident	12 Å²	12	38.6 Å²	38.6	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-20.8	179.9	70.7	-81.6	-170	0	0	113.6	A197 S204 P271 R274	A197-E199 VanDerWaalsContact C-N 3.35Å; A197-E199 WeakPolarHBondContact CB-OE1 3.37Å; A197-E199 WeakPolarHBondContact CB-OE2 3.39Å; A197-E199 PolarHBondContact O-N 2.95Å; E199-S204 PolarHBondContact O-N 3.41Å; E199-P271 HydrophobicContact CG-CG 4.05Å; E199-R274 IonicContact OE1-CZ 3.37Å; E199-R274 IonicContact OE1-NH1 2.69Å; E199-R274 PolarHBondContact OE1-NH1 3.49Å; E199-R274 IonicContact OE1-NH2 3.96Å; E199-R274 PolarHBondContact OE1-NH2 3.39Å; E199-R274 IonicContact OE2-CZ 3.49Å; E199-R274 IonicContact OE2-NH1 3.63Å; E199-R274 PolarHBondContact OE2-NH1 3.05Å; E199-R274 IonicContact OE2-NH2 2.73Å; E199-R274 PolarHBondContact OE2-NH2 2.91Å
200	V	86.4	Confident	83.4	Confident	12 Å²	12	38.1 Å²	38.1	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-75	-45.9	-179.6	176.7	0	0	0	0	110.8	M196 A197 P198 G203 Y206 C210	M196-V200 HydrophobicContact CG-CB 3.97Å; M196-V200 HydrophobicContact CG-CG1 3.94Å; M196-V200 HydrophobicContact SD-CB 4.39Å; M196-V200 HydrophobicContact SD-CG1 3.98Å; A197-V200 HydrophobicContact CB-CG2 4.08Å; A197-V200 WeakPolarHBondContact O-CB 3.38Å; A197-V200 PolarHBondContact O-N 2.9Å; A197-V200 VanDerWaalsContact O-N 3.08Å; P198-V200 PolarHBondContact O-N 3.34Å; P198-V200 VanDerWaalsContact O-N 3.12Å; V200-G203 PolarHBondContact O-N 3.26Å; V200-Y206 HydrophobicContact CG2-CD2 4.3Å; V200-Y206 HydrophobicContact CG2-CG 4.12Å; V200-C210 HydrophobicContact CG2-CB 3.53Å
201	F	78.7	Confident	85.5	Confident	13 Å²	13	28.8 Å²	28.8	6%	0.057	17%	0.17	C	C	.	.	H	α-helix	trans	-83.5	-17.4	178.4	54.8	-112.7	0	0	0	113.2	M186 M196 A197 P198 G203 M240 V243 H244	M186-F201 HydrophobicContact SD-CB 4.34Å; M196-F201 HydrophobicContact CB-CD1 4.3Å; M196-F201 HydrophobicContact CG-CD1 4.04Å; M196-F201 HydrophobicContact SD-CB 3.9Å; M196-F201 HydrophobicContact SD-CD1 3.87Å; M196-F201 HydrophobicContact SD-CG 4.4Å; A197-F201 WeakPolarHBondContact O-CD1 3.38Å; P198-F201 HydrophobicContact CB-CE1 4.44Å; P198-F201 HydrophobicContact CB-CE2 4.21Å; P198-F201 HydrophobicContact CB-CZ 3.86Å; P198-F201 VanDerWaalsContact O-CD2 3.32Å; P198-F201 WeakPolarHBondContact O-CD2 3.46Å; P198-F201 WeakPolarHBondContact O-CE2 3.27Å; P198-F201 PolarHBondContact O-N 3.33Å; F201-G203 PolarHBondContact O-N 3.49Å; F201-M240 HydrophobicContact CB-CG 4.46Å; F201-M240 HydrophobicContact CB-SD 4.06Å; F201-M240 HydrophobicContact CD1-CB 4.32Å; F201-M240 HydrophobicContact CD1-CG 3.97Å; F201-M240 HydrophobicContact CD2-CB 4.16Å; F201-M240 HydrophobicContact CD2-CG 4.49Å; F201-M240 HydrophobicContact CE1-CB 4.25Å; F201-M240 HydrophobicContact CE1-CG 4.22Å; F201-M240 HydrophobicContact CE2-CB 4.12Å; F201-M240 WeakPolarHBondContact CE2-O 3.32Å; F201-M240 HydrophobicContact CG-CB 4.25Å; F201-M240 HydrophobicContact CG-CG 4.08Å; F201-M240 HydrophobicContact CG-SD 4.31Å; F201-M240 HydrophobicContact CZ-CB 4.11Å; F201-M240 VanDerWaalsContact CZ-O 3.28Å; F201-M240 WeakPolarHBondContact CZ-O 3.48Å; F201-V243 HydrophobicContact CE1-CB 4.48Å; F201-V243 HydrophobicContact CE1-CG1 4.22Å; F201-V243 HydrophobicContact CZ-CB 4.1Å; F201-V243 HydrophobicContact CZ-CG1 4Å; F201-H244 HydrophobicContact CE2-CB 4.11Å
202	E	75.6	Confident	87.1	Confident	48 Å²	48	26.2 Å²	26.2	22%	0.224	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.4	169.3	-73.1	165.2	-155.4	0	0	112.3	P198 S204 H244 P497	P198-E202 WeakPolarHBondContact CB-OE1 3.36Å; P198-E202 WeakPolarHBondContact O-CB 3.48Å; P198-E202 WeakPolarHBondContact O-CG 3.32Å; P198-E202 PolarHBondContact O-N 2.96Å; E202-S204 VanDerWaalsContact C-N 3.27Å; E202-H244 IonicContact OE1-CE1 2.7Å; E202-H244 PolarHBondContact OE1-CE1 3.36Å; E202-H244 IonicContact OE1-CG 3.04Å; E202-H244 IonicContact OE1-ND1 3.26Å; E202-H244 PolarHBondContact OE1-ND1 3.34Å; E202-P497 WeakPolarHBondContact O-CA 3.39Å
203	G	69.4	Low	87.9	Confident	21 Å²	21	26 Å²	26	22%	0.216	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	15.8	-178	0	0	0	0	0	113.5	V200 F201	V200-G203 PolarHBondContact O-N 3.26Å; F201-G203 PolarHBondContact O-N 3.49Å
204	S	70.4	Confident	88.4	Confident	40 Å²	40	26.1 Å²	26.1	28%	0.28	14%	0.143	S	C	.	.			trans	-73.4	163.7	176.5	-52.9	0	0	0	0	111.3	E199 E202 Y206	E199-S204 PolarHBondContact O-N 3.41Å; E202-S204 VanDerWaalsContact C-N 3.27Å; S204-Y206 PolarHBondContact O-N 2.95Å
205	N	76.1	Confident	88.7	Confident	173 Å²	173	25.8 Å²	25.8	93%	0.925	14%	0.14	S	C	*	.			trans	-61.7	113.4	166.5	-75	-24.6	0	0	0	109.1
206	Y	81.3	Confident	88.9	Confident	45 Å²	45	24.8 Å²	24.8	18%	0.176	14%	0.136	C	C	.	.			trans	-109.7	159.1	178.1	65.5	-89.3	0	0	0	111	R155 I182 V200 S204 C210	R155-Y206 WeakPolarHBondContact CD-OH 3.29Å; R155-Y206 HydrophobicContact CG-CE2 4.18Å; R155-Y206 PolarHBondContact NE-OH 2.74Å; R155-Y206 PolarHBondContact NH1-OH 2.71Å; I182-Y206 HydrophobicContact CG1-CE1 4.41Å; V200-Y206 HydrophobicContact CG2-CD2 4.3Å; V200-Y206 HydrophobicContact CG2-CG 4.12Å; S204-Y206 PolarHBondContact O-N 2.95Å; Y206-C210 HydrophobicContact CD2-CB 4.49Å
207	S	89.3	Confident	89.2	Confident	42 Å²	42	24.3 Å²	24.3	29%	0.294	13%	0.133	S	C	.	.			trans	-121.8	-173	179.3	93	0	0	0	0	110.9	K209 C210	S207-K209 PolarHBondContact O-N 3Å; S207-K209 WeakPolarHBondContact OG-CG 3.41Å; S207-K209 PolarHBondContact OG-N 3.32Å; S207-C210 PolarHBondContact O-N 2.71Å; S207-C210 VanDerWaalsContact O-N 3.17Å; S207-C210 PolarHBondContact O-SG 3.07Å
208	E	92.8	Very high	89.4	Confident	64 Å²	64	24.3 Å²	24.3	30%	0.299	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-16.9	172	83.6	-66.8	164.3	0	0	113.6	H145 I153 C210 D211	H145-E208 PolarHBondContact CE1-O 2.85Å; I153-E208 HydrophobicContact CD1-CB 4.41Å; I153-E208 HydrophobicContact CG1-CB 4.08Å; E208-C210 PolarHBondContact O-N 3.01Å; E208-D211 WeakPolarHBondContact O-CB 3.29Å; E208-D211 PolarHBondContact O-N 3.16Å; E208-D211 VanDerWaalsContact O-N 3.16Å
209	K	96.8	Very high	89.8	Confident	30 Å²	30	24.2 Å²	24.2	13%	0.13	13%	0.133	C	C	.	.	H	α-helix	trans	-66.3	-13.6	175.8	-61.7	-57	-172.4	73.2	0	114.7	S207 D211 V212 F213 P271 R274	S207-K209 PolarHBondContact O-N 3Å; S207-K209 WeakPolarHBondContact OG-CG 3.41Å; S207-K209 PolarHBondContact OG-N 3.32Å; K209-D211 VanDerWaalsContact C-N 3.32Å; K209-V212 HydrophobicContact CD-CG2 4.12Å; K209-V212 WeakPolarHBondContact O-CB 3.42Å; K209-V212 PolarHBondContact O-N 3.08Å; K209-F213 PolarHBondContact O-N 3.25Å; K209-P271 HydrophobicContact CB-CB 3.88Å; K209-P271 HydrophobicContact CG-CB 4.44Å; K209-P271 WeakPolarHBondContact CG-O 3.37Å; K209-P271 PolarHBondContact NZ-O 3.14Å; K209-R274 HydrophobicContact CD-CB 4.39Å; K209-R274 PolarHBondContact NZ-O 3.23Å; K209-R274 PolarHBondContact O-NH1 3.36Å
210	C	95	Very high	90.3	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.02	13%	0.131	C	C	.	.	H	α-helix	trans	-66.8	-34.9	170.4	63.1	0	0	0	0	112.1	A197 V200 Y206 S207 E208 V212 F213 S214	A197-C210 HydrophobicContact CB-CB 3.92Å; V200-C210 HydrophobicContact CG2-CB 3.53Å; Y206-C210 HydrophobicContact CD2-CB 4.49Å; S207-C210 PolarHBondContact O-N 2.71Å; S207-C210 VanDerWaalsContact O-N 3.17Å; S207-C210 PolarHBondContact O-SG 3.07Å; E208-C210 PolarHBondContact O-N 3.01Å; C210-V212 VanDerWaalsContact C-N 3.26Å; C210-V212 PolarHBondContact O-N 3.23Å; C210-F213 WeakPolarHBondContact O-CB 3.27Å; C210-F213 PolarHBondContact O-N 3.05Å; C210-S214 PolarHBondContact O-N 3.4Å; C210-S214 VanDerWaalsContact O-N 3.14Å; C210-S214 PolarHBondContact O-OG 3.28Å
211	D	96.9	Very high	90.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.5	-32.3	174.4	-68.5	-23.3	0	0	0	111	V141 H145 I153 H154 R155 L157 E208 K209 S214 W215	V141-D211 HydrophobicContact CG1-CB 3.96Å; H145-D211 IonicContact CD2-OD2 2.66Å; H145-D211 IonicContact CE1-OD2 3.39Å; H145-D211 IonicContact NE2-OD2 2.96Å; H145-D211 PolarHBondContact NE2-OD2 3.34Å; I153-D211 WeakPolarHBondContact CG2-OD2 3.41Å; H154-D211 PolarHBondContact N-OD2 3.29Å; R155-D211 PolarHBondContact N-OD1 2.74Å; L157-D211 HydrophobicContact CD1-CB 3.65Å; E208-D211 WeakPolarHBondContact O-CB 3.29Å; E208-D211 PolarHBondContact O-N 3.16Å; E208-D211 VanDerWaalsContact O-N 3.16Å; K209-D211 VanDerWaalsContact C-N 3.32Å; D211-S214 WeakPolarHBondContact O-CB 3.36Å; D211-S214 PolarHBondContact O-N 3.39Å; D211-W215 WeakPolarHBondContact O-CB 3.46Å; D211-W215 PolarHBondContact O-N 3.02Å
212	V	98.6	Very high	91.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.2	-41.8	175.8	177.3	0	0	0	0	111.6	K209 C210 S214 W215 G216 C266 R274 P275 M277 I280	K209-V212 HydrophobicContact CD-CG2 4.12Å; K209-V212 WeakPolarHBondContact O-CB 3.42Å; K209-V212 PolarHBondContact O-N 3.08Å; C210-V212 VanDerWaalsContact C-N 3.26Å; C210-V212 PolarHBondContact O-N 3.23Å; V212-S214 VanDerWaalsContact C-N 3.35Å; V212-W215 PolarHBondContact O-N 3.06Å; V212-G216 PolarHBondContact O-N 3.01Å; V212-C266 HydrophobicContact CG1-CB 4.04Å; V212-R274 HydrophobicContact CB-CB 4.41Å; V212-R274 HydrophobicContact CG1-CB 3.84Å; V212-P275 HydrophobicContact CG1-CG 4.25Å; V212-P275 WeakPolarHBondContact CG2-O 3.49Å; V212-M277 HydrophobicContact CB-CE 4.34Å; V212-M277 HydrophobicContact CG2-CE 3.8Å; V212-I280 HydrophobicContact CG1-CD1 3.81Å; V212-I280 HydrophobicContact CG2-CD1 4.44Å
213	F	98.3	Very high	92.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.3	-49.5	173.5	-177.5	-79	0	0	0	110.7	W195 M196 A197 K209 C210 W215 G216 I217 V243 C266 W267	W195-F213 WeakPolarHBondContact O-CD1 3.09Å; M196-F213 VanDerWaalsContact O-CE1 3.26Å; M196-F213 WeakPolarHBondContact O-CE1 3.28Å; A197-F213 HydrophobicContact CB-CB 3.66Å; A197-F213 HydrophobicContact CB-CD1 4.04Å; A197-F213 HydrophobicContact CB-CD2 4.25Å; A197-F213 HydrophobicContact CB-CG 3.73Å; K209-F213 PolarHBondContact O-N 3.25Å; C210-F213 WeakPolarHBondContact O-CB 3.27Å; C210-F213 PolarHBondContact O-N 3.05Å; F213-W215 VanDerWaalsContact C-N 3.31Å; F213-W215 PolarHBondContact O-N 3.04Å; F213-G216 PolarHBondContact O-N 3.38Å; F213-I217 HydrophobicContact CD1-CG1 4.09Å; F213-I217 HydrophobicContact CE1-CD1 4.1Å; F213-I217 HydrophobicContact CE1-CG1 3.73Å; F213-I217 HydrophobicContact CZ-CD1 4.32Å; F213-I217 HydrophobicContact CZ-CG1 4.43Å; F213-I217 PolarHBondContact O-N 2.91Å; F213-I217 VanDerWaalsContact O-N 3.15Å; F213-V243 HydrophobicContact CZ-CG1 3.93Å; F213-C266 WeakPolarHBondContact CA-O 3.38Å; F213-W267 HydrophobicContact CD2-CB 3.96Å; F213-W267 HydrophobicContact CE2-CB 3.79Å; F213-W267 HydrophobicContact CZ-CB 4.39Å
214	S	98	Very high	94.2	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.028	12%	0.117	C	C	.	.	H	α-helix	trans	-57	-45.1	179.2	-50.7	0	0	0	0	111.4	L157 W195 C210 D211 V212 G216 I217 I218	L157-S214 WeakPolarHBondContact O-CB 3.43Å; W195-S214 WeakPolarHBondContact O-CA 3.48Å; W195-S214 PolarHBondContact O-OG 3.41Å; W195-S214 VanDerWaalsContact O-OG 3.08Å; C210-S214 PolarHBondContact O-N 3.4Å; C210-S214 VanDerWaalsContact O-N 3.14Å; C210-S214 PolarHBondContact O-OG 3.28Å; D211-S214 WeakPolarHBondContact O-CB 3.36Å; D211-S214 PolarHBondContact O-N 3.39Å; V212-S214 VanDerWaalsContact C-N 3.35Å; S214-G216 VanDerWaalsContact C-N 3.34Å; S214-G216 PolarHBondContact O-N 3.43Å; S214-I217 PolarHBondContact O-N 3.23Å; S214-I218 WeakPolarHBondContact O-CD1 3.1Å; S214-I218 WeakPolarHBondContact O-CG1 3.49Å; S214-I218 PolarHBondContact O-N 3.37Å
215	W	98.8	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-39.8	175.6	-175.2	94.1	0	0	0	112.8	C134 D211 V212 F213 I217 I218 L219 L262 M277 I280 M284	C134-W215 HydrophobicContact CB-CZ2 3.73Å; C134-W215 PolarHBondContact O-NE1 3.35Å; D211-W215 WeakPolarHBondContact O-CB 3.46Å; D211-W215 PolarHBondContact O-N 3.02Å; V212-W215 PolarHBondContact O-N 3.06Å; F213-W215 VanDerWaalsContact C-N 3.31Å; F213-W215 PolarHBondContact O-N 3.04Å; W215-I217 VanDerWaalsContact C-N 3.34Å; W215-I217 PolarHBondContact O-N 2.76Å; W215-I218 PolarHBondContact O-N 3.34Å; W215-L219 HydrophobicContact CH2-CB 4.44Å; W215-L219 HydrophobicContact CH2-CD2 3.75Å; W215-L219 HydrophobicContact CH2-CG 4.47Å; W215-L219 HydrophobicContact CZ3-CB 4.27Å; W215-L219 HydrophobicContact CZ3-CD2 3.7Å; W215-L219 PolarHBondContact O-N 3.26Å; W215-L262 HydrophobicContact CH2-CD2 3.8Å; W215-L262 HydrophobicContact CH2-CG 4.37Å; W215-L262 HydrophobicContact CZ3-CD2 4.1Å; W215-L262 HydrophobicContact CZ3-CG 4.17Å; W215-M277 HydrophobicContact CB-CE 3.9Å; W215-M277 HydrophobicContact CG-CE 4.17Å; W215-M277 HydrophobicContact CG-SD 4.37Å; W215-I280 HydrophobicContact CD2-CD1 4.39Å; W215-I280 HydrophobicContact CD2-CG2 4.12Å; W215-I280 HydrophobicContact CE3-CD1 4.07Å; W215-I280 HydrophobicContact CE3-CG2 4.2Å; W215-I280 HydrophobicContact CH2-CG2 3.56Å; W215-I280 HydrophobicContact CZ2-CG2 3.42Å; W215-I280 VanDerWaalsContact CZ2-CG2 3.42Å; W215-I280 HydrophobicContact CZ3-CD1 4.44Å; W215-I280 HydrophobicContact CZ3-CG2 3.95Å; W215-M284 HydrophobicContact CH2-CE 4.36Å; W215-M284 HydrophobicContact CH2-CG 3.96Å; W215-M284 HydrophobicContact CH2-SD 3.82Å; W215-M284 HydrophobicContact CZ2-CE 4.06Å; W215-M284 HydrophobicContact CZ2-CG 3.85Å; W215-M284 HydrophobicContact CZ2-SD 4.01Å
216	G	98.7	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-39.4	175.9	0	0	0	0	0	113.1	V212 F213 S214 W220	V212-G216 PolarHBondContact O-N 3.01Å; F213-G216 PolarHBondContact O-N 3.38Å; S214-G216 VanDerWaalsContact C-N 3.34Å; S214-G216 PolarHBondContact O-N 3.43Å; G216-W220 PolarHBondContact O-N 2.79Å
217	I	98.6	Very high	97.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.9	-43	174.1	-57.3	-63.5	0	0	0	110.9	W195 F213 S214 W215 L219 W220 E221 P228 F229 P249 W267	W195-I217 VanDerWaalsContact CD1-CG2 3.44Å; W195-I217 HydrophobicContact CG-CG2 4.19Å; F213-I217 HydrophobicContact CD1-CG1 4.09Å; F213-I217 HydrophobicContact CE1-CD1 4.1Å; F213-I217 HydrophobicContact CE1-CG1 3.73Å; F213-I217 HydrophobicContact CZ-CD1 4.32Å; F213-I217 HydrophobicContact CZ-CG1 4.43Å; F213-I217 PolarHBondContact O-N 2.91Å; F213-I217 VanDerWaalsContact O-N 3.15Å; S214-I217 PolarHBondContact O-N 3.23Å; W215-I217 VanDerWaalsContact C-N 3.34Å; W215-I217 PolarHBondContact O-N 2.76Å; I217-L219 VanDerWaalsContact C-N 3.32Å; I217-L219 PolarHBondContact O-N 3.49Å; I217-W220 WeakPolarHBondContact O-CB 3.3Å; I217-W220 PolarHBondContact O-N 2.75Å; I217-E221 WeakPolarHBondContact O-CB 3.4Å; I217-E221 PolarHBondContact O-N 3.35Å; I217-P228 HydrophobicContact CG2-CB 3.68Å; I217-P228 HydrophobicContact CG2-CG 3.72Å; I217-F229 HydrophobicContact CD1-CE2 4.44Å; I217-F229 HydrophobicContact CD1-CZ 4.49Å; I217-P249 HydrophobicContact CD1-CG 3.78Å; I217-W267 HydrophobicContact CD1-CE3 3.94Å
218	I	98.7	Very high	97.5	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-42.3	176.5	-68.2	157.7	0	0	0	111.1	L157 L162 S214 W215 W220 E221 V222	L157-I218 HydrophobicContact CB-CD1 4.23Å; L162-I218 HydrophobicContact CD1-CD1 4.08Å; L162-I218 HydrophobicContact CD1-CG2 4.18Å; S214-I218 WeakPolarHBondContact O-CD1 3.1Å; S214-I218 WeakPolarHBondContact O-CG1 3.49Å; S214-I218 PolarHBondContact O-N 3.37Å; W215-I218 PolarHBondContact O-N 3.34Å; I218-W220 VanDerWaalsContact C-N 3.34Å; I218-W220 PolarHBondContact O-N 3.47Å; I218-E221 PolarHBondContact O-N 3.37Å; I218-V222 HydrophobicContact CG2-CG1 4.37Å; I218-V222 WeakPolarHBondContact O-CG2 3.48Å; I218-V222 PolarHBondContact O-N 2.91Å
219	L	98.8	Very high	97.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.1	-46.4	176.2	177.4	63.9	0	0	0	111.5	M131 C134 W215 I217 E221 V222 I223 I259 M263	M131-L219 HydrophobicContact SD-CD1 4.18Å; C134-L219 HydrophobicContact CB-CD1 4.15Å; W215-L219 HydrophobicContact CH2-CB 4.44Å; W215-L219 HydrophobicContact CH2-CD2 3.75Å; W215-L219 HydrophobicContact CH2-CG 4.47Å; W215-L219 HydrophobicContact CZ3-CB 4.27Å; W215-L219 HydrophobicContact CZ3-CD2 3.7Å; W215-L219 PolarHBondContact O-N 3.26Å; I217-L219 VanDerWaalsContact C-N 3.32Å; I217-L219 PolarHBondContact O-N 3.49Å; L219-E221 VanDerWaalsContact C-N 3.33Å; L219-E221 PolarHBondContact O-N 3.24Å; L219-V222 WeakPolarHBondContact O-CG2 3.43Å; L219-I223 HydrophobicContact CD1-CD1 3.73Å; L219-I223 HydrophobicContact CD1-CG1 4.35Å; L219-I223 HydrophobicContact CG-CD1 3.95Å; L219-I223 WeakPolarHBondContact O-CD1 3.46Å; L219-I223 VanDerWaalsContact O-CG1 3.22Å; L219-I223 WeakPolarHBondContact O-CG1 3.44Å; L219-I223 PolarHBondContact O-N 3.36Å; L219-I259 HydrophobicContact CD2-CG2 4.18Å; L219-M263 HydrophobicContact CD2-CB 3.88Å; L219-M263 HydrophobicContact CD2-CG 4.26Å
220	W	98.7	Very high	97.3	Very high	5 Å²	5	22 Å²	22	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-44.1	175.9	-179.6	93.3	0	0	0	111.8	G216 I217 I218 I223 T224 R226 P228 P249 P250 I252 M263 W267	G216-W220 PolarHBondContact O-N 2.79Å; I217-W220 WeakPolarHBondContact O-CB 3.3Å; I217-W220 PolarHBondContact O-N 2.75Å; I218-W220 VanDerWaalsContact C-N 3.34Å; I218-W220 PolarHBondContact O-N 3.47Å; W220-I223 PolarHBondContact O-N 3.33Å; W220-T224 HydrophobicContact CD2-CG2 4.04Å; W220-T224 HydrophobicContact CG-CG2 4.42Å; W220-T224 HydrophobicContact CH2-CG2 4.48Å; W220-T224 HydrophobicContact CZ2-CG2 3.89Å; W220-T224 WeakPolarHBondContact O-CB 3.42Å; W220-T224 WeakPolarHBondContact O-CG2 3.31Å; W220-T224 PolarHBondContact O-N 3.03Å; W220-T224 PolarHBondContact O-OG1 3.11Å; W220-R226 HydrophobicContact CH2-CB 3.73Å; W220-R226 HydrophobicContact CZ3-CB 3.99Å; W220-R226 WeakPolarHBondContact CZ3-O 3.48Å; W220-P228 HydrophobicContact CE3-CB 4.43Å; W220-P228 HydrophobicContact CZ3-CB 4.23Å; W220-P249 HydrophobicContact CD2-CB 3.46Å; W220-P249 VanDerWaalsContact CD2-CB 3.46Å; W220-P249 HydrophobicContact CD2-CG 4.2Å; W220-P249 HydrophobicContact CE3-CB 3.94Å; W220-P249 HydrophobicContact CE3-CG 4.38Å; W220-P249 HydrophobicContact CG-CB 3.81Å; W220-P249 HydrophobicContact CG-CG 4.42Å; W220-P249 HydrophobicContact CH2-CB 4.23Å; W220-P249 HydrophobicContact CZ2-CB 3.78Å; W220-P249 HydrophobicContact CZ3-CB 4.3Å; W220-P250 HydrophobicContact CZ2-CG 3.93Å; W220-P250 PolarHBondContact NE1-O 2.98Å; W220-I252 HydrophobicContact CG-CD1 4.33Å; W220-M263 HydrophobicContact CB-SD 3.68Å; W220-M263 HydrophobicContact CG-SD 4.2Å; W220-W267 HydrophobicContact CB-CZ3 3.99Å; W220-W267 HydrophobicContact CG-CZ3 4.28Å
221	E	98.6	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-44.6	-177.7	171.6	168.3	-156.5	0	0	112.5	L116 H117 P159 W195 I217 I218 L219 I223 T224 R225 R226	L116-E221 HydrophobicContact CD1-CG 3.95Å; H117-E221 IonicContact CD2-OE1 3.29Å; H117-E221 PolarHBondContact CD2-OE1 3.22Å; H117-E221 IonicContact CE1-OE1 3.99Å; H117-E221 IonicContact NE2-OE1 3.75Å; H117-E221 PolarHBondContact NE2-OE1 3.15Å; P159-E221 VanDerWaalsContact CG-CD 3.5Å; P159-E221 WeakPolarHBondContact CG-OE2 3.33Å; W195-E221 WeakPolarHBondContact CZ2-OE2 3.5Å; W195-E221 PolarHBondContact NE1-OE2 2.64Å; I217-E221 WeakPolarHBondContact O-CB 3.4Å; I217-E221 PolarHBondContact O-N 3.35Å; I218-E221 PolarHBondContact O-N 3.37Å; L219-E221 VanDerWaalsContact C-N 3.33Å; L219-E221 PolarHBondContact O-N 3.24Å; E221-I223 VanDerWaalsContact C-N 3.31Å; E221-I223 PolarHBondContact O-N 3.27Å; E221-T224 PolarHBondContact O-N 3.29Å; E221-R225 VanDerWaalsContact O-CA 3.27Å; E221-R225 WeakPolarHBondContact O-CA 3.49Å; E221-R225 PolarHBondContact O-N 3.48Å; E221-R226 WeakPolarHBondContact CG-O 3.28Å
222	V	98.5	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.2	-26.8	177.6	-61.3	0	0	0	0	112.7	L112 L116 Y125 A130 W133 C134 I218 L219	L112-V222 HydrophobicContact CD2-CG1 3.95Å; L116-V222 HydrophobicContact CD1-CG1 4.02Å; L116-V222 HydrophobicContact CD2-CG1 4.44Å; Y125-V222 VanDerWaalsContact CE2-O 3.23Å; Y125-V222 WeakPolarHBondContact CE2-O 3.43Å; Y125-V222 PolarHBondContact OH-O 3.02Å; A130-V222 HydrophobicContact CB-CB 4.07Å; A130-V222 HydrophobicContact CB-CG2 3.84Å; W133-V222 HydrophobicContact CE3-CG1 4.27Å; C134-V222 WeakPolarHBondContact SG-CG2 3.33Å; I218-V222 HydrophobicContact CG2-CG1 4.37Å; I218-V222 WeakPolarHBondContact O-CG2 3.48Å; I218-V222 PolarHBondContact O-N 2.91Å; L219-V222 WeakPolarHBondContact O-CG2 3.43Å
223	I	98.4	Very high	95.4	Very high	22 Å²	22	30.9 Å²	30.9	11%	0.113	15%	0.149	C	C	.	.	H	α-helix	trans	-76.9	-42.3	176.8	-67.8	169.9	0	0	0	110.6	L219 W220 E221 I252 L255 I259 I345	L219-I223 HydrophobicContact CD1-CD1 3.73Å; L219-I223 HydrophobicContact CD1-CG1 4.35Å; L219-I223 HydrophobicContact CG-CD1 3.95Å; L219-I223 WeakPolarHBondContact O-CD1 3.46Å; L219-I223 VanDerWaalsContact O-CG1 3.22Å; L219-I223 WeakPolarHBondContact O-CG1 3.44Å; L219-I223 PolarHBondContact O-N 3.36Å; W220-I223 PolarHBondContact O-N 3.33Å; E221-I223 VanDerWaalsContact C-N 3.31Å; E221-I223 PolarHBondContact O-N 3.27Å; I223-I252 HydrophobicContact CB-CD1 3.99Å; I223-I252 HydrophobicContact CG2-CD1 3.63Å; I223-I252 HydrophobicContact CG2-CG2 4.32Å; I223-L255 HydrophobicContact CD1-CD1 3.99Å; I223-L255 HydrophobicContact CG2-CD1 4.21Å; I223-I259 HydrophobicContact CD1-CG2 4Å; I223-I345 HydrophobicContact CG2-CD1 4.37Å
224	T	97.8	Very high	94.2	Very high	27 Å²	27	34 Å²	34	17%	0.166	18%	0.182	C	C	.	.	H	α-helix	trans	-87.2	-20.9	-175.5	58.5	0	0	0	0	114	W220 E221 R226 I252	W220-T224 HydrophobicContact CD2-CG2 4.04Å; W220-T224 HydrophobicContact CG-CG2 4.42Å; W220-T224 HydrophobicContact CH2-CG2 4.48Å; W220-T224 HydrophobicContact CZ2-CG2 3.89Å; W220-T224 WeakPolarHBondContact O-CB 3.42Å; W220-T224 WeakPolarHBondContact O-CG2 3.31Å; W220-T224 PolarHBondContact O-N 3.03Å; W220-T224 PolarHBondContact O-OG1 3.11Å; E221-T224 PolarHBondContact O-N 3.29Å; T224-R226 PolarHBondContact O-N 2.97Å; T224-R226 PolarHBondContact OG1-N 3.49Å; T224-I252 HydrophobicContact CG2-CD1 3.49Å; T224-I252 VanDerWaalsContact CG2-CD1 3.49Å; T224-I252 HydrophobicContact CG2-CG1 3.66Å
225	R	97.6	Very high	93.1	Very high	65 Å²	65	37 Å²	37	25%	0.245	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	38	-166.8	-151.9	179.6	-171.6	148.3	10.6	112.3	V115 L116 P123 Y125 E221	V115-R225 PolarHBondContact O-NH2 2.85Å; L116-R225 HydrophobicContact CD2-CG 4.31Å; L116-R225 PolarHBondContact O-NE 2.67Å; P123-R225 PolarHBondContact O-NH1 2.87Å; P123-R225 PolarHBondContact O-NH2 2.86Å; Y125-R225 HydrophobicContact CE1-CG 4Å; Y125-R225 VanDerWaalsContact OH-CB 3.32Å; Y125-R225 WeakPolarHBondContact OH-CB 3.3Å; E221-R225 VanDerWaalsContact O-CA 3.27Å; E221-R225 WeakPolarHBondContact O-CA 3.49Å; E221-R225 PolarHBondContact O-N 3.48Å
226	R	97	Very high	92.1	Very high	138 Å²	138	38.5 Å²	38.5	52%	0.521	21%	0.213	S	C	.	.			trans	-121.8	146	178.8	-66.7	178	-176.3	-138.1	-0.7	110.7	H117 W220 E221 T224	H117-R226 VanDerWaalsContact CE1-C 3.49Å; W220-R226 HydrophobicContact CH2-CB 3.73Å; W220-R226 HydrophobicContact CZ3-CB 3.99Å; W220-R226 WeakPolarHBondContact CZ3-O 3.48Å; E221-R226 WeakPolarHBondContact CG-O 3.28Å; T224-R226 PolarHBondContact O-N 2.97Å; T224-R226 PolarHBondContact OG1-N 3.49Å
227	K	95.6	Very high	91.1	Very high	77 Å²	77	40.2 Å²	40.2	34%	0.335	22%	0.221	S	C	.	.			trans	-69.8	130.1	172	-64.3	179.8	-172.3	-176.8	0	108.9	Y113 F229 D230	Y113-K227 WeakPolarHBondContact OH-CE 3.47Å; Y113-K227 PolarHBondContact OH-NZ 2.81Å; Y113-K227 VanDerWaalsContact OH-NZ 3.14Å; K227-F229 PolarHBondContact O-N 2.84Å; K227-D230 HydrophobicContact CB-CB 3.99Å
228	P	95.6	Very high	90.2	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.039	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	133.2	179	23	-29.8	0	0	0	111.1	A194 W195 I217 W220 D230	A194-P228 HydrophobicContact CB-CB 4.34Å; A194-P228 HydrophobicContact CB-CG 3.88Å; W195-P228 HydrophobicContact CZ2-CG 3.85Å; I217-P228 HydrophobicContact CG2-CB 3.68Å; I217-P228 HydrophobicContact CG2-CG 3.72Å; W220-P228 HydrophobicContact CE3-CB 4.43Å; W220-P228 HydrophobicContact CZ3-CB 4.23Å; P228-D230 PolarHBondContact O-N 3.3Å
229	F	94.1	Very high	89.5	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	21.8	179	-46.4	-74.9	0	0	0	115.4	A194 I217 K227 E231 I232 I239 V243 T247 P249	A194-F229 HydrophobicContact CB-CD2 3.93Å; A194-F229 VanDerWaalsContact O-CE2 3.27Å; A194-F229 WeakPolarHBondContact O-CE2 3.32Å; I217-F229 HydrophobicContact CD1-CE2 4.44Å; I217-F229 HydrophobicContact CD1-CZ 4.49Å; K227-F229 PolarHBondContact O-N 2.84Å; F229-E231 PolarHBondContact O-N 3.04Å; F229-I232 HydrophobicContact CB-CD1 4.06Å; F229-I232 HydrophobicContact CB-CG1 4.3Å; F229-I232 HydrophobicContact CD1-CD1 3.91Å; F229-I232 HydrophobicContact CG-CD1 4.38Å; F229-I232 WeakPolarHBondContact O-CB 3.33Å; F229-I232 PolarHBondContact O-N 3.12Å; F229-I239 HydrophobicContact CB-CD1 4.32Å; F229-I239 HydrophobicContact CB-CG1 4.24Å; F229-I239 HydrophobicContact CB-CG2 4.19Å; F229-I239 HydrophobicContact CD2-CG2 3.89Å; F229-I239 HydrophobicContact CG-CG2 4.08Å; F229-V243 HydrophobicContact CE1-CG2 3.98Å; F229-V243 HydrophobicContact CE2-CG2 3.96Å; F229-V243 HydrophobicContact CZ-CG2 3.57Å; F229-T247 HydrophobicContact CE1-CG2 4.31Å; F229-P249 HydrophobicContact CE1-CG 4.36Å; F229-P249 HydrophobicContact CE2-CG 4.39Å; F229-P249 HydrophobicContact CZ-CG 4.01Å
230	D	90.8	Very high	88.9	Confident	111 Å²	111	44 Å²	44	59%	0.594	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.6	180	-157.2	47.6	0	0	0	111.7	K227 P228 I232 G233	K227-D230 HydrophobicContact CB-CB 3.99Å; P228-D230 PolarHBondContact O-N 3.3Å; D230-I232 VanDerWaalsContact C-N 3.31Å; D230-I232 PolarHBondContact O-N 2.73Å; D230-G233 PolarHBondContact O-N 3.24Å
231	E	89	Confident	88.1	Confident	131 Å²	131	48.5 Å²	48.5	61%	0.612	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.3	176.6	65.7	-78.5	176.9	0	0	114.5	F229	F229-E231 PolarHBondContact O-N 3.04Å
232	I	85.5	Confident	87.5	Confident	33 Å²	33	49.1 Å²	49.1	17%	0.169	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-47.6	177	-58.7	-174.9	0	0	0	108.5	F229 D230 R238 I239 A242 T247	F229-I232 HydrophobicContact CB-CD1 4.06Å; F229-I232 HydrophobicContact CB-CG1 4.3Å; F229-I232 HydrophobicContact CD1-CD1 3.91Å; F229-I232 HydrophobicContact CG-CD1 4.38Å; F229-I232 WeakPolarHBondContact O-CB 3.33Å; F229-I232 PolarHBondContact O-N 3.12Å; D230-I232 VanDerWaalsContact C-N 3.31Å; D230-I232 PolarHBondContact O-N 2.73Å; I232-R238 HydrophobicContact CG2-CB 4.02Å; I232-R238 PolarHBondContact O-NH1 2.98Å; I232-I239 HydrophobicContact CB-CG1 4.47Å; I232-I239 HydrophobicContact CG2-CG1 4.34Å; I232-A242 HydrophobicContact CD1-CB 3.51Å; I232-T247 HydrophobicContact CD1-CG2 4.5Å
233	G	76.4	Confident	87.2	Confident	27 Å²	27	49.1 Å²	49.1	28%	0.278	26%	0.259	S	S	.	.			trans	55	-173.6	179.4	0	0	0	0	0	114.9	D230 R238	D230-G233 PolarHBondContact O-N 3.24Å; G233-R238 PolarHBondContact O-NH1 3.02Å
234	G	73.3	Confident	86.6	Confident	66 Å²	66	51 Å²	51	68%	0.68	27%	0.267	S	S	*	.	S	Bend	trans	74	-158.9	179.2	0	0	0	0	0	113.6
235	P	75.3	Confident	86.2	Confident	66 Å²	66	54 Å²	54	43%	0.429	28%	0.283	S	S	.	.	S	Bend	trans	-69.1	152.4	-174.8	28.4	-35.8	0	0	0	112.3	F237 R238	P235-F237 HydrophobicContact CB-CD1 3.65Å; P235-F237 HydrophobicContact CB-CE1 3.51Å; P235-F237 HydrophobicContact CB-CZ 4.41Å; P235-F237 HydrophobicContact CG-CD1 3.62Å; P235-F237 HydrophobicContact CG-CE1 3.04Å; P235-F237 HydrophobicContact CG-CE2 4.38Å; P235-F237 HydrophobicContact CG-CG 4.5Å; P235-F237 HydrophobicContact CG-CZ 3.48Å; P235-F237 VanDerWaalsContact CG-CZ 3.48Å; P235-F237 PolarHBondContact O-N 2.88Å; P235-R238 HydrophobicContact CG-CG 4.29Å; P235-R238 PolarHBondContact O-N 3.22Å
236	A	76.9	Confident	85.9	Confident	31 Å²	31	52.9 Å²	52.9	26%	0.256	29%	0.291	S	S	.	.	H	α-helix	trans	-51.5	-34.8	-174.5	0	0	0	0	0	114.6	A193 R238 I239 M240	A193-A236 HydrophobicContact CB-CB 3.94Å; A236-R238 PolarHBondContact O-N 2.94Å; A236-I239 PolarHBondContact O-N 3.5Å; A236-I239 VanDerWaalsContact O-N 3.16Å; A236-M240 HydrophobicContact CB-CE 4.34Å; A236-M240 WeakPolarHBondContact O-CG 3.26Å; A236-M240 PolarHBondContact O-N 2.94Å
237	F	77.2	Confident	85.8	Confident	37 Å²	37	49.1 Å²	49.1	16%	0.162	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-27.8	-179.5	72.7	-102	0	0	0	113.3	P235 M240 W241 M534 Q537	P235-F237 HydrophobicContact CB-CD1 3.65Å; P235-F237 HydrophobicContact CB-CE1 3.51Å; P235-F237 HydrophobicContact CB-CZ 4.41Å; P235-F237 HydrophobicContact CG-CD1 3.62Å; P235-F237 HydrophobicContact CG-CE1 3.04Å; P235-F237 HydrophobicContact CG-CE2 4.38Å; P235-F237 HydrophobicContact CG-CG 4.5Å; P235-F237 HydrophobicContact CG-CZ 3.48Å; P235-F237 VanDerWaalsContact CG-CZ 3.48Å; P235-F237 PolarHBondContact O-N 2.88Å; F237-M240 PolarHBondContact O-N 3.24Å; F237-W241 WeakPolarHBondContact O-CB 3.27Å; F237-W241 PolarHBondContact O-N 3.35Å; F237-M534 HydrophobicContact CB-SD 3.69Å; F237-M534 HydrophobicContact CD1-SD 4.11Å; F237-M534 HydrophobicContact CD2-SD 4.14Å; F237-M534 HydrophobicContact CG-SD 3.74Å; F237-Q537 HydrophobicContact CZ-CB 4.43Å
238	R	80	Confident	85.9	Confident	45 Å²	45	47.5 Å²	47.5	17%	0.17	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-41.2	176.8	-69.1	-173.8	71.1	-143.7	2.5	111.3	I232 G233 P235 A236 A242	I232-R238 HydrophobicContact CG2-CB 4.02Å; I232-R238 PolarHBondContact O-NH1 2.98Å; G233-R238 PolarHBondContact O-NH1 3.02Å; P235-R238 HydrophobicContact CG-CG 4.29Å; P235-R238 PolarHBondContact O-N 3.22Å; A236-R238 PolarHBondContact O-N 2.94Å; R238-A242 WeakPolarHBondContact O-CB 3.38Å; R238-A242 PolarHBondContact O-N 3.24Å
239	I	85	Confident	85.9	Confident	22 Å²	22	47.4 Å²	47.4	11%	0.113	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-47.5	174.5	-62.4	174.2	0	0	0	109.6	A193 F229 I232 A236 W241 A242 V243	A193-I239 HydrophobicContact CB-CB 4.23Å; A193-I239 HydrophobicContact CB-CG2 4.22Å; F229-I239 HydrophobicContact CB-CD1 4.32Å; F229-I239 HydrophobicContact CB-CG1 4.24Å; F229-I239 HydrophobicContact CB-CG2 4.19Å; F229-I239 HydrophobicContact CD2-CG2 3.89Å; F229-I239 HydrophobicContact CG-CG2 4.08Å; I232-I239 HydrophobicContact CB-CG1 4.47Å; I232-I239 HydrophobicContact CG2-CG1 4.34Å; A236-I239 PolarHBondContact O-N 3.5Å; A236-I239 VanDerWaalsContact O-N 3.16Å; I239-W241 VanDerWaalsContact C-N 3.33Å; I239-W241 PolarHBondContact O-N 3.44Å; I239-A242 PolarHBondContact O-N 2.89Å; I239-V243 HydrophobicContact CG2-CG2 4.24Å; I239-V243 WeakPolarHBondContact O-CB 3.49Å; I239-V243 VanDerWaalsContact O-CG2 3.32Å; I239-V243 WeakPolarHBondContact O-CG2 3.49Å; I239-V243 PolarHBondContact O-N 2.88Å
240	M	84.7	Confident	86	Confident	15 Å²	15	50.8 Å²	50.8	7%	0.074	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-45.7	178	-65.5	175.7	-177.6	0	0	111.7	A193 M196 F201 A236 F237 V243 H244 T502	A193-M240 HydrophobicContact CB-CE 4.02Å; A193-M240 HydrophobicContact CB-CG 4.16Å; M196-M240 HydrophobicContact CE-CE 4.01Å; F201-M240 HydrophobicContact CB-CG 4.46Å; F201-M240 HydrophobicContact CB-SD 4.06Å; F201-M240 HydrophobicContact CD1-CB 4.32Å; F201-M240 HydrophobicContact CD1-CG 3.97Å; F201-M240 HydrophobicContact CD2-CB 4.16Å; F201-M240 HydrophobicContact CD2-CG 4.49Å; F201-M240 HydrophobicContact CE1-CB 4.25Å; F201-M240 HydrophobicContact CE1-CG 4.22Å; F201-M240 HydrophobicContact CE2-CB 4.12Å; F201-M240 WeakPolarHBondContact CE2-O 3.32Å; F201-M240 HydrophobicContact CG-CB 4.25Å; F201-M240 HydrophobicContact CG-CG 4.08Å; F201-M240 HydrophobicContact CG-SD 4.31Å; F201-M240 HydrophobicContact CZ-CB 4.11Å; F201-M240 VanDerWaalsContact CZ-O 3.28Å; F201-M240 WeakPolarHBondContact CZ-O 3.48Å; A236-M240 HydrophobicContact CB-CE 4.34Å; A236-M240 WeakPolarHBondContact O-CG 3.26Å; A236-M240 PolarHBondContact O-N 2.94Å; F237-M240 PolarHBondContact O-N 3.24Å; M240-V243 PolarHBondContact O-N 3.29Å; M240-H244 VanDerWaalsContact O-CB 3.3Å; M240-H244 WeakPolarHBondContact O-CB 3.38Å; M240-H244 PolarHBondContact O-N 3.4Å; M240-T502 HydrophobicContact CE-CG2 4.01Å; M240-T502 HydrophobicContact SD-CG2 3.96Å
241	W	81.9	Confident	86.3	Confident	98 Å²	98	50.8 Å²	50.8	37%	0.371	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-45	176.6	-178.6	-104.7	0	0	0	112.7	F237 I239 V243 H244 N245 T538	F237-W241 WeakPolarHBondContact O-CB 3.27Å; F237-W241 PolarHBondContact O-N 3.35Å; I239-W241 VanDerWaalsContact C-N 3.33Å; I239-W241 PolarHBondContact O-N 3.44Å; W241-V243 PolarHBondContact O-N 2.86Å; W241-H244 WeakPolarHBondContact O-CB 3.43Å; W241-H244 PolarHBondContact O-N 3.34Å; W241-N245 PolarHBondContact NE1-ND2 2.89Å; W241-N245 WeakPolarHBondContact O-CB 3.35Å; W241-N245 PolarHBondContact O-N 2.99Å; W241-N245 VanDerWaalsContact O-N 3.07Å; W241-N245 PolarHBondContact O-ND2 3.14Å; W241-T538 HydrophobicContact CB-CG2 4.08Å; W241-T538 HydrophobicContact CD2-CG2 3.72Å; W241-T538 HydrophobicContact CE3-CG2 4.44Å; W241-T538 HydrophobicContact CG-CG2 3.51Å
242	A	87.2	Confident	86.7	Confident	13 Å²	13	45.4 Å²	45.4	11%	0.107	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-45.7	177.1	0	0	0	0	0	111.4	I232 R238 I239 N245 G246 T247	I232-A242 HydrophobicContact CD1-CB 3.51Å; R238-A242 WeakPolarHBondContact O-CB 3.38Å; R238-A242 PolarHBondContact O-N 3.24Å; I239-A242 PolarHBondContact O-N 2.89Å; A242-N245 PolarHBondContact O-N 3.35Å; A242-G246 PolarHBondContact O-N 2.99Å; A242-T247 HydrophobicContact CB-CG2 4.34Å; A242-T247 WeakPolarHBondContact O-CA 3.5Å; A242-T247 WeakPolarHBondContact O-CB 3.37Å; A242-T247 PolarHBondContact O-N 3.39Å; A242-T247 PolarHBondContact O-OG1 3.36Å
243	V	91	Very high	87.1	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-66.1	-40	179.3	173.3	0	0	0	0	111.7	P198 F201 F213 F229 I239 M240 W241 N245 G246 R248	P198-V243 HydrophobicContact CB-CG1 4.4Å; F201-V243 HydrophobicContact CE1-CB 4.48Å; F201-V243 HydrophobicContact CE1-CG1 4.22Å; F201-V243 HydrophobicContact CZ-CB 4.1Å; F201-V243 HydrophobicContact CZ-CG1 4Å; F213-V243 HydrophobicContact CZ-CG1 3.93Å; F229-V243 HydrophobicContact CE1-CG2 3.98Å; F229-V243 HydrophobicContact CE2-CG2 3.96Å; F229-V243 HydrophobicContact CZ-CG2 3.57Å; I239-V243 HydrophobicContact CG2-CG2 4.24Å; I239-V243 WeakPolarHBondContact O-CB 3.49Å; I239-V243 VanDerWaalsContact O-CG2 3.32Å; I239-V243 WeakPolarHBondContact O-CG2 3.49Å; I239-V243 PolarHBondContact O-N 2.88Å; M240-V243 PolarHBondContact O-N 3.29Å; W241-V243 PolarHBondContact O-N 2.86Å; V243-N245 VanDerWaalsContact C-N 3.29Å; V243-N245 PolarHBondContact O-N 2.97Å; V243-G246 PolarHBondContact O-N 3.01Å; V243-R248 PolarHBondContact O-NH1 3.46Å
244	H	87.7	Confident	88	Confident	60 Å²	60	56.4 Å²	56.4	28%	0.278	32%	0.316	S	S	.	.	H	α-helix	trans	-56.3	-43.6	173.4	179.8	72.4	0	0	0	111.9	F201 E202 M240 W241 G246 K269	F201-H244 HydrophobicContact CE2-CB 4.11Å; E202-H244 IonicContact OE1-CE1 2.7Å; E202-H244 PolarHBondContact OE1-CE1 3.36Å; E202-H244 IonicContact OE1-CG 3.04Å; E202-H244 IonicContact OE1-ND1 3.26Å; E202-H244 PolarHBondContact OE1-ND1 3.34Å; M240-H244 VanDerWaalsContact O-CB 3.3Å; M240-H244 WeakPolarHBondContact O-CB 3.38Å; M240-H244 PolarHBondContact O-N 3.4Å; W241-H244 WeakPolarHBondContact O-CB 3.43Å; W241-H244 PolarHBondContact O-N 3.34Å; H244-G246 PolarHBondContact O-N 2.99Å; H244-K269 PolarHBondContact O-NZ 3.16Å
245	N	88.6	Confident	89	Confident	92 Å²	92	54 Å²	54	49%	0.492	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	4.3	176.8	-71.2	-31.4	0	0	0	114	W241 A242 V243	W241-N245 PolarHBondContact NE1-ND2 2.89Å; W241-N245 WeakPolarHBondContact O-CB 3.35Å; W241-N245 PolarHBondContact O-N 2.99Å; W241-N245 VanDerWaalsContact O-N 3.07Å; W241-N245 PolarHBondContact O-ND2 3.14Å; A242-N245 PolarHBondContact O-N 3.35Å; V243-N245 VanDerWaalsContact C-N 3.29Å; V243-N245 PolarHBondContact O-N 2.97Å
246	G	91.6	Very high	90.1	Very high	41 Å²	41	52.6 Å²	52.6	42%	0.423	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	5.4	175.1	0	0	0	0	0	114.7	A242 V243 H244 R248	A242-G246 PolarHBondContact O-N 2.99Å; V243-G246 PolarHBondContact O-N 3.01Å; H244-G246 PolarHBondContact O-N 2.99Å; G246-R248 PolarHBondContact O-N 3.03Å
247	T	94.4	Very high	91	Very high	59 Å²	59	57.9 Å²	57.9	36%	0.362	30%	0.295	S	S	.	.			trans	-61.2	136.2	172.7	-50.5	0	0	0	0	109.5	F229 I232 A242	F229-T247 HydrophobicContact CE1-CG2 4.31Å; I232-T247 HydrophobicContact CD1-CG2 4.5Å; A242-T247 HydrophobicContact CB-CG2 4.34Å; A242-T247 WeakPolarHBondContact O-CA 3.5Å; A242-T247 WeakPolarHBondContact O-CB 3.37Å; A242-T247 PolarHBondContact O-N 3.39Å; A242-T247 PolarHBondContact O-OG1 3.36Å
248	R	97.3	Very high	92	Very high	42 Å²	42	59.9 Å²	59.9	16%	0.158	31%	0.312	C	S	.	.			trans	-135.7	160.5	177.2	-64.4	-61.8	-179.7	-90.7	3.2	109	V243 G246 W267	V243-R248 PolarHBondContact O-NH1 3.46Å; G246-R248 PolarHBondContact O-N 3.03Å; R248-W267 HydrophobicContact CG-CD2 4.49Å; R248-W267 HydrophobicContact CG-CG 4.22Å; R248-W267 PolarHBondContact NE-O 3.03Å; R248-W267 PolarHBondContact NH2-O 3.44Å
249	P	96.6	Very high	92.8	Very high	4 Å²	4	58 Å²	58	3%	0.026	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-55.2	145.9	172.9	-23.6	34.8	0	0	0	111.3	I217 W220 F229 W267	I217-P249 HydrophobicContact CD1-CG 3.78Å; W220-P249 HydrophobicContact CD2-CB 3.46Å; W220-P249 VanDerWaalsContact CD2-CB 3.46Å; W220-P249 HydrophobicContact CD2-CG 4.2Å; W220-P249 HydrophobicContact CE3-CB 3.94Å; W220-P249 HydrophobicContact CE3-CG 4.38Å; W220-P249 HydrophobicContact CG-CB 3.81Å; W220-P249 HydrophobicContact CG-CG 4.42Å; W220-P249 HydrophobicContact CH2-CB 4.23Å; W220-P249 HydrophobicContact CZ2-CB 3.78Å; W220-P249 HydrophobicContact CZ3-CB 4.3Å; F229-P249 HydrophobicContact CE1-CG 4.36Å; F229-P249 HydrophobicContact CE2-CG 4.39Å; F229-P249 HydrophobicContact CZ-CG 4.01Å; P249-W267 HydrophobicContact CB-CZ3 4.45Å; P249-W267 HydrophobicContact CG-CZ3 4.22Å
250	P	96.3	Very high	93.5	Very high	73 Å²	73	58.5 Å²	58.5	47%	0.474	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.2	-175.3	25.6	-34.7	0	0	0	111.7	W220	W220-P250 HydrophobicContact CZ2-CG 3.93Å; W220-P250 PolarHBondContact NE1-O 2.98Å
251	L	96.2	Very high	94.1	Very high	111 Å²	111	60.7 Å²	60.7	58%	0.581	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-60.6	144.3	176.5	-64.3	179.6	0	0	0	111.5	T264	L251-T264 HydrophobicContact CD2-CG2 4.12Å
252	I	97	Very high	94.9	Very high	17 Å²	17	56.1 Å²	56.1	9%	0.087	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-91.8	123.2	-174.2	-53.8	175.6	0	0	0	109.2	W220 I223 T224 N254 L255 M263 I345	W220-I252 HydrophobicContact CG-CD1 4.33Å; I223-I252 HydrophobicContact CB-CD1 3.99Å; I223-I252 HydrophobicContact CG2-CD1 3.63Å; I223-I252 HydrophobicContact CG2-CG2 4.32Å; T224-I252 HydrophobicContact CG2-CD1 3.49Å; T224-I252 VanDerWaalsContact CG2-CD1 3.49Å; T224-I252 HydrophobicContact CG2-CG1 3.66Å; I252-N254 PolarHBondContact O-N 2.88Å; I252-L255 HydrophobicContact CB-CB 4.03Å; I252-L255 HydrophobicContact CB-CD2 4.25Å; I252-L255 HydrophobicContact CD1-CD2 4.24Å; I252-L255 HydrophobicContact CG2-CB 4.29Å; I252-L255 WeakPolarHBondContact O-CB 3.18Å; I252-L255 PolarHBondContact O-N 3.42Å; I252-M263 HydrophobicContact CD1-CE 4.37Å; I252-M263 HydrophobicContact CD1-SD 4.32Å; I252-I345 HydrophobicContact CG2-CD1 3.42Å; I252-I345 VanDerWaalsContact CG2-CD1 3.42Å
253	K	95	Very high	95.4	Very high	185 Å²	185	55.5 Å²	55.5	80%	0.804	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	136.4	176.4	-66.5	-178.2	-179	177.9	0	110.6	L255	K253-L255 PolarHBondContact O-N 2.97Å
254	N	94.1	Very high	95.8	Very high	107 Å²	107	57.7 Å²	57.7	57%	0.572	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	23.3	178.9	-57.7	-7.5	0	0	0	115.1	I252 I345 E349	I252-N254 PolarHBondContact O-N 2.88Å; N254-I345 HydrophobicContact CB-CG2 4Å; N254-E349 PolarHBondContact ND2-OE1 3Å
255	L	95.7	Very high	96.3	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.079	32%	0.316	C	S	.	.			trans	-71.6	132.2	172.1	-172.2	68.8	0	0	0	110.8	I223 I252 K253 K257 I259 E260 M263	I223-L255 HydrophobicContact CD1-CD1 3.99Å; I223-L255 HydrophobicContact CG2-CD1 4.21Å; I252-L255 HydrophobicContact CB-CB 4.03Å; I252-L255 HydrophobicContact CB-CD2 4.25Å; I252-L255 HydrophobicContact CD1-CD2 4.24Å; I252-L255 HydrophobicContact CG2-CB 4.29Å; I252-L255 WeakPolarHBondContact O-CB 3.18Å; I252-L255 PolarHBondContact O-N 3.42Å; K253-L255 PolarHBondContact O-N 2.97Å; L255-K257 PolarHBondContact O-N 3.01Å; L255-I259 HydrophobicContact CD1-CB 4.28Å; L255-I259 HydrophobicContact CD1-CG2 3.98Å; L255-I259 HydrophobicContact CD2-CG2 4.27Å; L255-I259 HydrophobicContact CG-CB 4.3Å; L255-I259 HydrophobicContact CG-CG2 4.32Å; L255-E260 HydrophobicContact CD2-CB 3.82Å; L255-E260 HydrophobicContact CD2-CG 4.37Å; L255-E260 HydrophobicContact CG-CB 4.35Å; L255-M263 HydrophobicContact CD2-CE 3.58Å; L255-M263 HydrophobicContact CD2-SD 4.46Å
256	P	96.8	Very high	96.8	Very high	36 Å²	36	54.3 Å²	54.3	23%	0.234	29%	0.293	C	S	.	.			trans	-56.5	130.2	174.3	-27.5	36.2	0	0	0	112	P258 I259 E260 L348	P256-P258 VanDerWaalsContact C-CD 3.41Å; P256-P258 VanDerWaalsContact C-N 3.32Å; P256-P258 VanDerWaalsContact O-N 3.16Å; P256-I259 HydrophobicContact CB-CD1 4.21Å; P256-I259 HydrophobicContact CB-CG1 4.41Å; P256-I259 HydrophobicContact CG-CD1 4.15Å; P256-I259 WeakPolarHBondContact O-CB 3.44Å; P256-I259 PolarHBondContact O-N 2.87Å; P256-E260 PolarHBondContact O-N 2.86Å; P256-L348 HydrophobicContact CG-CD2 3.53Å
257	K	97.3	Very high	97.1	Very high	142 Å²	142	53.2 Å²	53.2	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-52	-37.3	-176.4	-70.5	-70	171.5	-169.4	0	115.3	L255 I259 E260 S261	L255-K257 PolarHBondContact O-N 3.01Å; K257-I259 VanDerWaalsContact C-N 3.3Å; K257-I259 PolarHBondContact O-N 3.2Å; K257-E260 IonicContact NZ-OE1 2.68Å; K257-E260 PolarHBondContact NZ-OE1 3.05Å; K257-E260 IonicContact NZ-OE2 3.78Å; K257-E260 PolarHBondContact O-N 3.37Å; K257-S261 VanDerWaalsContact O-CB 3.3Å; K257-S261 WeakPolarHBondContact O-CB 3.43Å; K257-S261 PolarHBondContact O-N 3.41Å
258	P	97.2	Very high	97.2	Very high	79 Å²	79	51.8 Å²	51.8	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-37	174.2	-26.1	36.4	0	0	0	113.7	P256 L262 L287	P256-P258 VanDerWaalsContact C-CD 3.41Å; P256-P258 VanDerWaalsContact C-N 3.32Å; P256-P258 VanDerWaalsContact O-N 3.16Å; P258-L262 PolarHBondContact O-N 3.34Å; P258-L262 VanDerWaalsContact O-N 3.13Å; P258-L287 HydrophobicContact CB-CD2 4.33Å
259	I	98.2	Very high	97	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-75.3	-43.6	179.2	-58	174.4	0	0	0	110	M131 L219 I223 L255 P256 K257 S261 L262 M263 L287 F291	M131-I259 HydrophobicContact CE-CD1 3.84Å; M131-I259 HydrophobicContact CE-CG1 4.11Å; M131-I259 HydrophobicContact SD-CD1 4.05Å; L219-I259 HydrophobicContact CD2-CG2 4.18Å; I223-I259 HydrophobicContact CD1-CG2 4Å; L255-I259 HydrophobicContact CD1-CB 4.28Å; L255-I259 HydrophobicContact CD1-CG2 3.98Å; L255-I259 HydrophobicContact CD2-CG2 4.27Å; L255-I259 HydrophobicContact CG-CB 4.3Å; L255-I259 HydrophobicContact CG-CG2 4.32Å; P256-I259 HydrophobicContact CB-CD1 4.21Å; P256-I259 HydrophobicContact CB-CG1 4.41Å; P256-I259 HydrophobicContact CG-CD1 4.15Å; P256-I259 WeakPolarHBondContact O-CB 3.44Å; P256-I259 PolarHBondContact O-N 2.87Å; K257-I259 VanDerWaalsContact C-N 3.3Å; K257-I259 PolarHBondContact O-N 3.2Å; I259-S261 VanDerWaalsContact C-N 3.33Å; I259-S261 PolarHBondContact O-N 3.37Å; I259-L262 PolarHBondContact O-N 3.39Å; I259-M263 VanDerWaalsContact O-CB 3.28Å; I259-M263 WeakPolarHBondContact O-CB 3.46Å; I259-M263 PolarHBondContact O-N 3.06Å; I259-L287 HydrophobicContact CG1-CD1 4.02Å; I259-F291 HydrophobicContact CD1-CE2 4.09Å; I259-F291 HydrophobicContact CD1-CZ 3.74Å
260	E	98.3	Very high	97	Very high	34 Å²	34	58.5 Å²	58.5	16%	0.159	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-45.9	175	-171.4	179	83.4	0	0	111.6	L255 P256 K257 M263 T264	L255-E260 HydrophobicContact CD2-CB 3.82Å; L255-E260 HydrophobicContact CD2-CG 4.37Å; L255-E260 HydrophobicContact CG-CB 4.35Å; P256-E260 PolarHBondContact O-N 2.86Å; K257-E260 IonicContact NZ-OE1 2.68Å; K257-E260 PolarHBondContact NZ-OE1 3.05Å; K257-E260 IonicContact NZ-OE2 3.78Å; K257-E260 PolarHBondContact O-N 3.37Å; E260-M263 PolarHBondContact O-N 3.21Å; E260-T264 WeakPolarHBondContact O-CB 3.48Å; E260-T264 WeakPolarHBondContact O-CG2 3.35Å; E260-T264 PolarHBondContact O-N 3.33Å; E260-T264 PolarHBondContact O-OG1 3.33Å
261	S	98.1	Very high	96.9	Very high	60 Å²	60	56.7 Å²	56.7	42%	0.42	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-47	177.1	178.9	0	0	0	0	111.9	K257 I259 T264 R265	K257-S261 VanDerWaalsContact O-CB 3.3Å; K257-S261 WeakPolarHBondContact O-CB 3.43Å; K257-S261 PolarHBondContact O-N 3.41Å; I259-S261 VanDerWaalsContact C-N 3.33Å; I259-S261 PolarHBondContact O-N 3.37Å; S261-T264 PolarHBondContact O-OG1 3.2Å; S261-R265 WeakPolarHBondContact O-CB 3.42Å; S261-R265 WeakPolarHBondContact O-CD 3.34Å; S261-R265 WeakPolarHBondContact O-CG 3.49Å; S261-R265 PolarHBondContact O-N 3.12Å
262	L	98.6	Very high	96.9	Very high	3 Å²	3	55 Å²	55	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-49.7	176.9	-176.6	61.9	0	0	0	111.9	W215 P258 I259 T264 R265 C266 P275 I280 I283 M284	W215-L262 HydrophobicContact CH2-CD2 3.8Å; W215-L262 HydrophobicContact CH2-CG 4.37Å; W215-L262 HydrophobicContact CZ3-CD2 4.1Å; W215-L262 HydrophobicContact CZ3-CG 4.17Å; P258-L262 PolarHBondContact O-N 3.34Å; P258-L262 VanDerWaalsContact O-N 3.13Å; I259-L262 PolarHBondContact O-N 3.39Å; L262-T264 PolarHBondContact O-N 3.49Å; L262-R265 PolarHBondContact O-N 3.2Å; L262-C266 PolarHBondContact O-N 3.45Å; L262-C266 VanDerWaalsContact O-N 3.09Å; L262-C266 PolarHBondContact O-SG 3.08Å; L262-P275 HydrophobicContact CD1-CG 4.27Å; L262-I280 HydrophobicContact CD1-CG1 4.17Å; L262-I283 HydrophobicContact CD1-CD1 3.86Å; L262-I283 HydrophobicContact CD2-CB 4.4Å; L262-I283 HydrophobicContact CD2-CG2 3.88Å; L262-M284 HydrophobicContact CD2-CG 4.18Å; L262-M284 HydrophobicContact CD2-SD 3.93Å
263	M	98.6	Very high	97	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-47.4	-179.3	-176.1	177.3	62.5	0	0	111.4	L219 W220 I252 L255 I259 E260 C266 W267	L219-M263 HydrophobicContact CD2-CB 3.88Å; L219-M263 HydrophobicContact CD2-CG 4.26Å; W220-M263 HydrophobicContact CB-SD 3.68Å; W220-M263 HydrophobicContact CG-SD 4.2Å; I252-M263 HydrophobicContact CD1-CE 4.37Å; I252-M263 HydrophobicContact CD1-SD 4.32Å; L255-M263 HydrophobicContact CD2-CE 3.58Å; L255-M263 HydrophobicContact CD2-SD 4.46Å; I259-M263 VanDerWaalsContact O-CB 3.28Å; I259-M263 WeakPolarHBondContact O-CB 3.46Å; I259-M263 PolarHBondContact O-N 3.06Å; E260-M263 PolarHBondContact O-N 3.21Å; M263-C266 WeakPolarHBondContact O-CB 3.45Å; M263-C266 PolarHBondContact O-N 3.46Å; M263-W267 HydrophobicContact CE-CH2 3.65Å; M263-W267 HydrophobicContact CE-CZ2 4.21Å; M263-W267 HydrophobicContact CE-CZ3 4.42Å; M263-W267 HydrophobicContact CG-CE3 4.05Å; M263-W267 HydrophobicContact CG-CH2 3.61Å; M263-W267 HydrophobicContact CG-CZ2 4.24Å; M263-W267 HydrophobicContact CG-CZ3 3.5Å; M263-W267 PolarHBondContact O-N 2.93Å; M263-W267 HydrophobicContact SD-CH2 3.72Å; M263-W267 HydrophobicContact SD-CZ3 3.88Å
264	T	98.1	Very high	97.1	Very high	47 Å²	47	51.3 Å²	51.3	29%	0.288	27%	0.273	S	S	.	.	H	α-helix	trans	-69.8	-34.5	-178.4	51.7	0	0	0	0	114	L251 E260 S261 L262 C266 W267	L251-T264 HydrophobicContact CD2-CG2 4.12Å; E260-T264 WeakPolarHBondContact O-CB 3.48Å; E260-T264 WeakPolarHBondContact O-CG2 3.35Å; E260-T264 PolarHBondContact O-N 3.33Å; E260-T264 PolarHBondContact O-OG1 3.33Å; S261-T264 PolarHBondContact O-OG1 3.2Å; L262-T264 PolarHBondContact O-N 3.49Å; T264-C266 VanDerWaalsContact C-N 3.32Å; T264-W267 HydrophobicContact CG2-CZ2 3.65Å
265	R	98.4	Very high	97.3	Very high	81 Å²	81	46.4 Å²	46.4	31%	0.306	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-38.8	171.1	-71.9	167.4	63.3	-153.6	-1.9	111.6	S261 L262 W267 S268 E279	S261-R265 WeakPolarHBondContact O-CB 3.42Å; S261-R265 WeakPolarHBondContact O-CD 3.34Å; S261-R265 WeakPolarHBondContact O-CG 3.49Å; S261-R265 PolarHBondContact O-N 3.12Å; L262-R265 PolarHBondContact O-N 3.2Å; R265-W267 VanDerWaalsContact C-N 3.33Å; R265-W267 PolarHBondContact O-N 3.33Å; R265-S268 WeakPolarHBondContact O-CB 3.46Å; R265-S268 PolarHBondContact O-N 3.49Å; R265-S268 PolarHBondContact O-OG 3.08Å; R265-E279 IonicContact CZ-OE1 3.31Å; R265-E279 VanDerWaalsContact CZ-OE1 3.31Å; R265-E279 IonicContact NH1-OE1 2.97Å; R265-E279 PolarHBondContact NH1-OE1 3.39Å; R265-E279 IonicContact NH2-OE1 2.86Å; R265-E279 PolarHBondContact NH2-OE1 2.91Å; R265-E279 IonicContact NH2-OE2 2.79Å; R265-E279 PolarHBondContact NH2-OE2 3.38Å
266	C	98.6	Very high	97.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-35.6	-179	-68.9	0	0	0	0	113	V212 F213 L262 M263 T264 R274	V212-C266 HydrophobicContact CG1-CB 4.04Å; F213-C266 WeakPolarHBondContact CA-O 3.38Å; L262-C266 PolarHBondContact O-N 3.45Å; L262-C266 VanDerWaalsContact O-N 3.09Å; L262-C266 PolarHBondContact O-SG 3.08Å; M263-C266 WeakPolarHBondContact O-CB 3.45Å; M263-C266 PolarHBondContact O-N 3.46Å; T264-C266 VanDerWaalsContact C-N 3.32Å; C266-R274 WeakPolarHBondContact O-CD 3.35Å; C266-R274 WeakPolarHBondContact O-CG 3.43Å
267	W	97.7	Very high	97.6	Very high	17 Å²	17	46.4 Å²	46.4	6%	0.064	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	19.3	179.6	63.2	41.2	0	0	0	114.7	F213 I217 W220 R248 P249 M263 T264 R265 K269	F213-W267 HydrophobicContact CD2-CB 3.96Å; F213-W267 HydrophobicContact CE2-CB 3.79Å; F213-W267 HydrophobicContact CZ-CB 4.39Å; I217-W267 HydrophobicContact CD1-CE3 3.94Å; W220-W267 HydrophobicContact CB-CZ3 3.99Å; W220-W267 HydrophobicContact CG-CZ3 4.28Å; R248-W267 HydrophobicContact CG-CD2 4.49Å; R248-W267 HydrophobicContact CG-CG 4.22Å; R248-W267 PolarHBondContact NE-O 3.03Å; R248-W267 PolarHBondContact NH2-O 3.44Å; P249-W267 HydrophobicContact CB-CZ3 4.45Å; P249-W267 HydrophobicContact CG-CZ3 4.22Å; M263-W267 HydrophobicContact CE-CH2 3.65Å; M263-W267 HydrophobicContact CE-CZ2 4.21Å; M263-W267 HydrophobicContact CE-CZ3 4.42Å; M263-W267 HydrophobicContact CG-CE3 4.05Å; M263-W267 HydrophobicContact CG-CH2 3.61Å; M263-W267 HydrophobicContact CG-CZ2 4.24Å; M263-W267 HydrophobicContact CG-CZ3 3.5Å; M263-W267 PolarHBondContact O-N 2.93Å; M263-W267 HydrophobicContact SD-CH2 3.72Å; M263-W267 HydrophobicContact SD-CZ3 3.88Å; T264-W267 HydrophobicContact CG2-CZ2 3.65Å; R265-W267 VanDerWaalsContact C-N 3.33Å; R265-W267 PolarHBondContact O-N 3.33Å; W267-K269 PolarHBondContact O-N 2.94Å
268	S	97.5	Very high	97.6	Very high	30 Å²	30	45 Å²	45	21%	0.21	24%	0.244	C	C	.	.			trans	-53.2	139.7	174	-60.8	0	0	0	0	111	R265 D270 R274	R265-S268 WeakPolarHBondContact O-CB 3.46Å; R265-S268 PolarHBondContact O-N 3.49Å; R265-S268 PolarHBondContact O-OG 3.08Å; S268-D270 VanDerWaalsContact C-N 3.34Å; S268-R274 PolarHBondContact O-NE 2.95Å; S268-R274 PolarHBondContact O-NH2 3.42Å
269	K	93.8	Very high	97.7	Very high	115 Å²	115	44.4 Å²	44.4	50%	0.5	23%	0.234	S	C	.	.	S	Bend	trans	-59.1	-48	176.6	-177.2	166.5	-179.4	160.7	0	110.5	H244 W267 P271 R274	H244-K269 PolarHBondContact O-NZ 3.16Å; W267-K269 PolarHBondContact O-N 2.94Å; K269-P271 VanDerWaalsContact O-CD 3.32Å; K269-P271 WeakPolarHBondContact O-CD 3.26Å; K269-R274 PolarHBondContact O-NH2 3.22Å
270	D	94.8	Very high	97.7	Very high	72 Å²	72	44.1 Å²	44.1	39%	0.385	23%	0.233	S	C	.	.	S	Bend	trans	-72.3	116.8	172.6	178.5	1.2	0	0	0	111.1	S268 S272 Q273	S268-D270 VanDerWaalsContact C-N 3.34Å; D270-S272 PolarHBondContact O-N 3.15Å; D270-S272 VanDerWaalsContact OD1-CB 3.29Å; D270-S272 WeakPolarHBondContact OD1-CB 3.4Å; D270-S272 PolarHBondContact OD1-N 3.31Å; D270-S272 PolarHBondContact OD1-OG 3.26Å; D270-S272 PolarHBondContact OD2-OG 2.98Å; D270-Q273 HydrophobicContact CB-CG 3.96Å; D270-Q273 PolarHBondContact O-N 3.42Å
271	P	96.1	Very high	97.8	Very high	35 Å²	35	43.8 Å²	43.8	23%	0.227	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-60.8	-24.9	177.3	-21.5	33.5	0	0	0	114.1	E199 K209 K269 Q273 R274	E199-P271 HydrophobicContact CG-CG 4.05Å; K209-P271 HydrophobicContact CB-CB 3.88Å; K209-P271 HydrophobicContact CG-CB 4.44Å; K209-P271 WeakPolarHBondContact CG-O 3.37Å; K209-P271 PolarHBondContact NZ-O 3.14Å; K269-P271 VanDerWaalsContact O-CD 3.32Å; K269-P271 WeakPolarHBondContact O-CD 3.26Å; P271-Q273 VanDerWaalsContact C-N 3.31Å; P271-Q273 PolarHBondContact O-N 3.2Å; P271-R274 WeakPolarHBondContact O-CB 3.31Å; P271-R274 PolarHBondContact O-N 3.22Å
272	S	96.2	Very high	97.8	Very high	76 Å²	76	47.1 Å²	47.1	53%	0.531	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-69.9	-29.1	-179.8	81.2	0	0	0	0	112.6	D270 R274	D270-S272 PolarHBondContact O-N 3.15Å; D270-S272 VanDerWaalsContact OD1-CB 3.29Å; D270-S272 WeakPolarHBondContact OD1-CB 3.4Å; D270-S272 PolarHBondContact OD1-N 3.31Å; D270-S272 PolarHBondContact OD1-OG 3.26Å; D270-S272 PolarHBondContact OD2-OG 2.98Å; S272-R274 VanDerWaalsContact C-N 3.27Å; S272-R274 PolarHBondContact O-N 3.42Å
273	Q	97.5	Very high	97.8	Very high	121 Å²	121	49.2 Å²	49.2	57%	0.565	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-77.1	-13.8	176.8	-60	-57.6	-40.8	0	0	113.2	D270 P271	D270-Q273 HydrophobicContact CB-CG 3.96Å; D270-Q273 PolarHBondContact O-N 3.42Å; P271-Q273 VanDerWaalsContact C-N 3.31Å; P271-Q273 PolarHBondContact O-N 3.2Å
274	R	98.4	Very high	97.8	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.011	25%	0.25	C	S	.	.	S	Bend	trans	-75.2	135.8	177.3	-55.3	178.4	-166.2	151.6	10.6	109.4	E199 K209 V212 C266 S268 K269 P271 S272	E199-R274 IonicContact OE1-CZ 3.37Å; E199-R274 IonicContact OE1-NH1 2.69Å; E199-R274 PolarHBondContact OE1-NH1 3.49Å; E199-R274 IonicContact OE1-NH2 3.96Å; E199-R274 PolarHBondContact OE1-NH2 3.39Å; E199-R274 IonicContact OE2-CZ 3.49Å; E199-R274 IonicContact OE2-NH1 3.63Å; E199-R274 PolarHBondContact OE2-NH1 3.05Å; E199-R274 IonicContact OE2-NH2 2.73Å; E199-R274 PolarHBondContact OE2-NH2 2.91Å; K209-R274 HydrophobicContact CD-CB 4.39Å; K209-R274 PolarHBondContact NZ-O 3.23Å; K209-R274 PolarHBondContact O-NH1 3.36Å; V212-R274 HydrophobicContact CB-CB 4.41Å; V212-R274 HydrophobicContact CG1-CB 3.84Å; C266-R274 WeakPolarHBondContact O-CD 3.35Å; C266-R274 WeakPolarHBondContact O-CG 3.43Å; S268-R274 PolarHBondContact O-NE 2.95Å; S268-R274 PolarHBondContact O-NH2 3.42Å; K269-R274 PolarHBondContact O-NH2 3.22Å; P271-R274 WeakPolarHBondContact O-CB 3.31Å; P271-R274 PolarHBondContact O-N 3.22Å; S272-R274 VanDerWaalsContact C-N 3.27Å; S272-R274 PolarHBondContact O-N 3.42Å
275	P	98.6	Very high	97.8	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.019	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-60	160.4	176.1	27.4	-35.1	0	0	0	111.1	V212 L262 E279 I280	V212-P275 HydrophobicContact CG1-CG 4.25Å; V212-P275 WeakPolarHBondContact CG2-O 3.49Å; L262-P275 HydrophobicContact CD1-CG 4.27Å; P275-E279 HydrophobicContact CB-CB 4.18Å; P275-E279 HydrophobicContact CB-CG 4.33Å; P275-E279 WeakPolarHBondContact CB-OE2 3.16Å; P275-I280 HydrophobicContact CB-CG1 4.26Å; P275-I280 HydrophobicContact CG-CD1 3.99Å; P275-I280 HydrophobicContact CG-CG1 3.84Å
276	S	98.5	Very high	97.8	Very high	47 Å²	47	50.7 Å²	50.7	33%	0.329	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-72.4	157.5	166.4	71.1	0	0	0	0	110.1	E278 E279 I280	S276-E278 PolarHBondContact O-N 3.41Å; S276-E279 WeakPolarHBondContact O-CB 3.46Å; S276-E279 PolarHBondContact O-N 3.14Å; S276-E279 VanDerWaalsContact O-N 3.12Å; S276-E279 PolarHBondContact OG-N 3Å; S276-E279 VanDerWaalsContact OG-N 3.14Å; S276-I280 PolarHBondContact O-N 2.91Å; S276-I280 VanDerWaalsContact O-N 3.08Å
277	M	98.6	Very high	97.8	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-28	175.8	-157.9	57.1	75.7	0	0	111.9	S138 V141 A142 V212 W215 I280 V281	S138-M277 VanDerWaalsContact O-CG 3.31Å; S138-M277 WeakPolarHBondContact O-CG 3.32Å; V141-M277 HydrophobicContact CB-CE 4.25Å; V141-M277 HydrophobicContact CB-CG 3.88Å; V141-M277 HydrophobicContact CG1-CB 4.49Å; V141-M277 HydrophobicContact CG1-CE 3.81Å; V141-M277 HydrophobicContact CG1-CG 3.89Å; A142-M277 HydrophobicContact CB-CB 4.11Å; A142-M277 HydrophobicContact CB-CG 4.01Å; V212-M277 HydrophobicContact CB-CE 4.34Å; V212-M277 HydrophobicContact CG2-CE 3.8Å; W215-M277 HydrophobicContact CB-CE 3.9Å; W215-M277 HydrophobicContact CG-CE 4.17Å; W215-M277 HydrophobicContact CG-SD 4.37Å; M277-I280 HydrophobicContact CE-CD1 4.08Å; M277-I280 PolarHBondContact O-N 3.38Å; M277-I280 HydrophobicContact SD-CB 4Å; M277-I280 HydrophobicContact SD-CD1 3.53Å; M277-I280 VanDerWaalsContact SD-CD1 3.53Å; M277-I280 HydrophobicContact SD-CG1 4.34Å; M277-I280 HydrophobicContact SD-CG2 4.11Å; M277-V281 WeakPolarHBondContact O-CG2 3.4Å; M277-V281 PolarHBondContact O-N 2.83Å
278	E	98.5	Very high	97.8	Very high	113 Å²	113	52.6 Å²	52.6	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-63.7	-40.7	171.4	-165.9	-164.2	156.7	0	0	112.4	S276 V281 K282	S276-E278 PolarHBondContact O-N 3.41Å; E278-V281 PolarHBondContact O-N 3.44Å; E278-K282 WeakPolarHBondContact O-CG 3.38Å; E278-K282 PolarHBondContact O-N 2.93Å; E278-K282 VanDerWaalsContact O-N 3.1Å; E278-K282 VanDerWaalsContact OE1-CE 3.3Å; E278-K282 WeakPolarHBondContact OE1-CE 3.23Å; E278-K282 IonicContact OE1-NZ 2.71Å; E278-K282 PolarHBondContact OE1-NZ 3.29Å
279	E	98.7	Very high	97.8	Very high	66 Å²	66	59.8 Å²	59.8	31%	0.308	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-43.8	174.1	-171.8	-168.8	151.3	0	0	110.8	R265 P275 S276 V281 K282 I283	R265-E279 IonicContact CZ-OE1 3.31Å; R265-E279 VanDerWaalsContact CZ-OE1 3.31Å; R265-E279 IonicContact NH1-OE1 2.97Å; R265-E279 PolarHBondContact NH1-OE1 3.39Å; R265-E279 IonicContact NH2-OE1 2.86Å; R265-E279 PolarHBondContact NH2-OE1 2.91Å; R265-E279 IonicContact NH2-OE2 2.79Å; R265-E279 PolarHBondContact NH2-OE2 3.38Å; P275-E279 HydrophobicContact CB-CB 4.18Å; P275-E279 HydrophobicContact CB-CG 4.33Å; P275-E279 WeakPolarHBondContact CB-OE2 3.16Å; S276-E279 WeakPolarHBondContact O-CB 3.46Å; S276-E279 PolarHBondContact O-N 3.14Å; S276-E279 VanDerWaalsContact O-N 3.12Å; S276-E279 PolarHBondContact OG-N 3Å; S276-E279 VanDerWaalsContact OG-N 3.14Å; E279-V281 VanDerWaalsContact C-N 3.35Å; E279-V281 PolarHBondContact O-N 3.33Å; E279-K282 PolarHBondContact O-N 3.45Å; E279-I283 HydrophobicContact CG-CD1 3.88Å; E279-I283 HydrophobicContact CG-CG1 4.46Å; E279-I283 WeakPolarHBondContact O-CG1 3.24Å; E279-I283 PolarHBondContact O-N 2.95Å
280	I	98.8	Very high	98	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-48.3	175.9	-67.9	168.3	0	0	0	110.4	V212 W215 L262 P275 S276 M277 K282 I283 M284	V212-I280 HydrophobicContact CG1-CD1 3.81Å; V212-I280 HydrophobicContact CG2-CD1 4.44Å; W215-I280 HydrophobicContact CD2-CD1 4.39Å; W215-I280 HydrophobicContact CD2-CG2 4.12Å; W215-I280 HydrophobicContact CE3-CD1 4.07Å; W215-I280 HydrophobicContact CE3-CG2 4.2Å; W215-I280 HydrophobicContact CH2-CG2 3.56Å; W215-I280 HydrophobicContact CZ2-CG2 3.42Å; W215-I280 VanDerWaalsContact CZ2-CG2 3.42Å; W215-I280 HydrophobicContact CZ3-CD1 4.44Å; W215-I280 HydrophobicContact CZ3-CG2 3.95Å; L262-I280 HydrophobicContact CD1-CG1 4.17Å; P275-I280 HydrophobicContact CB-CG1 4.26Å; P275-I280 HydrophobicContact CG-CD1 3.99Å; P275-I280 HydrophobicContact CG-CG1 3.84Å; S276-I280 PolarHBondContact O-N 2.91Å; S276-I280 VanDerWaalsContact O-N 3.08Å; M277-I280 HydrophobicContact CE-CD1 4.08Å; M277-I280 PolarHBondContact O-N 3.38Å; M277-I280 HydrophobicContact SD-CB 4Å; M277-I280 HydrophobicContact SD-CD1 3.53Å; M277-I280 VanDerWaalsContact SD-CD1 3.53Å; M277-I280 HydrophobicContact SD-CG1 4.34Å; M277-I280 HydrophobicContact SD-CG2 4.11Å; I280-K282 VanDerWaalsContact C-N 3.32Å; I280-K282 PolarHBondContact O-N 3.2Å; I280-I283 PolarHBondContact O-N 3.42Å; I280-M284 HydrophobicContact CG2-CG 3.96Å; I280-M284 VanDerWaalsContact O-CB 3.31Å; I280-M284 WeakPolarHBondContact O-CB 3.49Å; I280-M284 VanDerWaalsContact O-CG 3.27Å; I280-M284 WeakPolarHBondContact O-CG 3.28Å; I280-M284 PolarHBondContact O-N 2.92Å
281	V	98.8	Very high	98.1	Very high	26 Å²	26	59.5 Å²	59.5	16%	0.158	29%	0.287	C	S	.	.	H	α-helix	trans	-56.6	-45.7	177.4	170.8	0	0	0	0	110.9	L135 S138 Q139 A142 M277 E278 E279 T285	L135-V281 HydrophobicContact CD1-CG1 4.45Å; S138-V281 VanDerWaalsContact C-CG2 3.45Å; S138-V281 WeakPolarHBondContact O-CG2 3.33Å; S138-V281 WeakPolarHBondContact OG-CG2 3.18Å; Q139-V281 HydrophobicContact CG-CG1 3.98Å; Q139-V281 HydrophobicContact CG-CG2 4.05Å; A142-V281 HydrophobicContact CB-CG2 3.96Å; M277-V281 WeakPolarHBondContact O-CG2 3.4Å; M277-V281 PolarHBondContact O-N 2.83Å; E278-V281 PolarHBondContact O-N 3.44Å; E279-V281 VanDerWaalsContact C-N 3.35Å; E279-V281 PolarHBondContact O-N 3.33Å; V281-T285 WeakPolarHBondContact O-CB 3.43Å; V281-T285 PolarHBondContact O-N 2.8Å; V281-T285 PolarHBondContact O-OG1 2.8Å
282	K	98.6	Very high	98.1	Very high	130 Å²	130	63 Å²	63	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-61.6	-47.3	178.5	-72.8	172.9	-173.7	164.2	0	111.9	E278 E279 I280 H286	E278-K282 WeakPolarHBondContact O-CG 3.38Å; E278-K282 PolarHBondContact O-N 2.93Å; E278-K282 VanDerWaalsContact O-N 3.1Å; E278-K282 VanDerWaalsContact OE1-CE 3.3Å; E278-K282 WeakPolarHBondContact OE1-CE 3.23Å; E278-K282 IonicContact OE1-NZ 2.71Å; E278-K282 PolarHBondContact OE1-NZ 3.29Å; E279-K282 PolarHBondContact O-N 3.45Å; I280-K282 VanDerWaalsContact C-N 3.32Å; I280-K282 PolarHBondContact O-N 3.2Å; K282-H286 PolarHBondContact O-N 3.47Å; K282-H286 VanDerWaalsContact O-N 3.12Å
283	I	98.6	Very high	98.1	Very high	47 Å²	47	60.6 Å²	60.6	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-49.4	-179.8	-65.8	169	0	0	0	110.5	L262 E279 I280 T285 H286 L287	L262-I283 HydrophobicContact CD1-CD1 3.86Å; L262-I283 HydrophobicContact CD2-CB 4.4Å; L262-I283 HydrophobicContact CD2-CG2 3.88Å; E279-I283 HydrophobicContact CG-CD1 3.88Å; E279-I283 HydrophobicContact CG-CG1 4.46Å; E279-I283 WeakPolarHBondContact O-CG1 3.24Å; E279-I283 PolarHBondContact O-N 2.95Å; I280-I283 PolarHBondContact O-N 3.42Å; I283-T285 PolarHBondContact O-N 3.49Å; I283-H286 WeakPolarHBondContact O-CB 3.38Å; I283-H286 PolarHBondContact O-N 3.19Å; I283-L287 HydrophobicContact CG2-CD1 3.91Å; I283-L287 HydrophobicContact CG2-CG 4.34Å; I283-L287 WeakPolarHBondContact O-CG 3.38Å; I283-L287 PolarHBondContact O-N 3.34Å
284	M	98.7	Very high	98.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-42.2	-179	-70.1	-65.3	-70.7	0	0	111.5	M131 C134 L135 W215 L262 I280 H286 L287 M288	M131-M284 HydrophobicContact CB-CE 4.31Å; M131-M284 HydrophobicContact CE-CE 3.48Å; M131-M284 VanDerWaalsContact CE-CE 3.48Å; M131-M284 HydrophobicContact CE-SD 3.59Å; M131-M284 VanDerWaalsContact CE-SD 3.59Å; M131-M284 VanDerWaalsContact O-CE 3.24Å; M131-M284 WeakPolarHBondContact O-CE 3.28Å; M131-M284 HydrophobicContact SD-CE 4.05Å; C134-M284 HydrophobicContact CB-CE 3.69Å; L135-M284 HydrophobicContact CB-CB 4.11Å; L135-M284 HydrophobicContact CB-CE 4.49Å; L135-M284 HydrophobicContact CD1-CB 3.69Å; L135-M284 HydrophobicContact CG-CB 4.41Å; W215-M284 HydrophobicContact CH2-CE 4.36Å; W215-M284 HydrophobicContact CH2-CG 3.96Å; W215-M284 HydrophobicContact CH2-SD 3.82Å; W215-M284 HydrophobicContact CZ2-CE 4.06Å; W215-M284 HydrophobicContact CZ2-CG 3.85Å; W215-M284 HydrophobicContact CZ2-SD 4.01Å; L262-M284 HydrophobicContact CD2-CG 4.18Å; L262-M284 HydrophobicContact CD2-SD 3.93Å; I280-M284 HydrophobicContact CG2-CG 3.96Å; I280-M284 VanDerWaalsContact O-CB 3.31Å; I280-M284 WeakPolarHBondContact O-CB 3.49Å; I280-M284 VanDerWaalsContact O-CG 3.27Å; I280-M284 WeakPolarHBondContact O-CG 3.28Å; I280-M284 PolarHBondContact O-N 2.92Å; M284-H286 VanDerWaalsContact C-N 3.28Å; M284-H286 PolarHBondContact O-N 2.89Å; M284-L287 PolarHBondContact O-N 3.45Å; M284-L287 VanDerWaalsContact O-N 3.15Å; M284-L287 HydrophobicContact SD-CD1 4.32Å; M284-M288 WeakPolarHBondContact O-CG 3.39Å; M284-M288 PolarHBondContact O-N 2.84Å
285	T	98.5	Very high	98	Very high	68 Å²	68	61.1 Å²	61.1	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-41	174.8	-60.1	0	0	0	0	111.4	V281 I283	V281-T285 WeakPolarHBondContact O-CB 3.43Å; V281-T285 PolarHBondContact O-N 2.8Å; V281-T285 PolarHBondContact O-OG1 2.8Å; I283-T285 PolarHBondContact O-N 3.49Å
286	H	98	Very high	97.9	Very high	92 Å²	92	66 Å²	66	43%	0.426	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-44.3	175.3	-173.1	98.7	0	0	0	112	K282 I283 M284 M288 R289	K282-H286 PolarHBondContact O-N 3.47Å; K282-H286 VanDerWaalsContact O-N 3.12Å; I283-H286 WeakPolarHBondContact O-CB 3.38Å; I283-H286 PolarHBondContact O-N 3.19Å; M284-H286 VanDerWaalsContact C-N 3.28Å; M284-H286 PolarHBondContact O-N 2.89Å; H286-M288 VanDerWaalsContact C-N 3.3Å; H286-M288 PolarHBondContact O-N 2.81Å; H286-R289 PolarHBondContact CE1-NH1 3.3Å; H286-R289 PolarHBondContact ND1-NH1 2.93Å; H286-R289 WeakPolarHBondContact O-CB 3.16Å; H286-R289 WeakPolarHBondContact O-CG 3.48Å; H286-R289 PolarHBondContact O-N 3.07Å
287	L	98	Very high	97.8	Very high	18 Å²	18	67.1 Å²	67.1	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-33.4	180	-73.7	174.3	0	0	0	112.6	M131 P258 I259 I283 M284 R289 Y290 F291	M131-L287 HydrophobicContact CE-CB 4.26Å; M131-L287 HydrophobicContact CE-CD1 3.97Å; P258-L287 HydrophobicContact CB-CD2 4.33Å; I259-L287 HydrophobicContact CG1-CD1 4.02Å; I283-L287 HydrophobicContact CG2-CD1 3.91Å; I283-L287 HydrophobicContact CG2-CG 4.34Å; I283-L287 WeakPolarHBondContact O-CG 3.38Å; I283-L287 PolarHBondContact O-N 3.34Å; M284-L287 PolarHBondContact O-N 3.45Å; M284-L287 VanDerWaalsContact O-N 3.15Å; M284-L287 HydrophobicContact SD-CD1 4.32Å; L287-R289 PolarHBondContact O-N 3.38Å; L287-Y290 WeakPolarHBondContact O-CD2 3.38Å; L287-Y290 PolarHBondContact O-N 2.95Å; L287-F291 HydrophobicContact CB-CE2 4.49Å; L287-F291 VanDerWaalsContact O-CD2 3.27Å; L287-F291 WeakPolarHBondContact O-CD2 3.46Å
288	M	97.9	Very high	97.6	Very high	38 Å²	38	67.7 Å²	67.7	19%	0.187	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-56	-21.7	179.6	-75.1	-51.8	-65.2	0	0	114.1	M131 L135 M284 H286 Y290 F291 A294	M131-M288 HydrophobicContact CB-SD 3.66Å; L135-M288 HydrophobicContact CD2-CG 3.55Å; M284-M288 WeakPolarHBondContact O-CG 3.39Å; M284-M288 PolarHBondContact O-N 2.84Å; H286-M288 VanDerWaalsContact C-N 3.3Å; H286-M288 PolarHBondContact O-N 2.81Å; M288-Y290 PolarHBondContact O-N 3.47Å; M288-Y290 VanDerWaalsContact O-N 3.14Å; M288-F291 HydrophobicContact CE-CB 4.33Å; M288-F291 CarbonylContact O-C 3.52Å; M288-F291 PolarHBondContact O-N 3.13Å; M288-F291 HydrophobicContact SD-CB 4.36Å; M288-A294 HydrophobicContact CE-CB 3.88Å
289	R	97.6	Very high	97	Very high	182 Å²	182	68.9 Å²	68.9	69%	0.687	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-58	-25.8	172.5	-65.4	179.2	-178.5	144	0.2	113.5	H286 L287	H286-R289 PolarHBondContact CE1-NH1 3.3Å; H286-R289 PolarHBondContact ND1-NH1 2.93Å; H286-R289 WeakPolarHBondContact O-CB 3.16Å; H286-R289 WeakPolarHBondContact O-CG 3.48Å; H286-R289 PolarHBondContact O-N 3.07Å; L287-R289 PolarHBondContact O-N 3.38Å
290	Y	97.6	Very high	96.3	Very high	155 Å²	155	71.8 Å²	71.8	61%	0.608	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-96	-2.6	178.7	-55	-76.3	0	0	0	113.1	L287 M288 P292	L287-Y290 WeakPolarHBondContact O-CD2 3.38Å; L287-Y290 PolarHBondContact O-N 2.95Å; M288-Y290 PolarHBondContact O-N 3.47Å; M288-Y290 VanDerWaalsContact O-N 3.14Å; Y290-P292 VanDerWaalsContact C-CD 3.45Å; Y290-P292 WeakPolarHBondContact O-CD 3.35Å
291	F	97.1	Very high	95.5	Very high	26 Å²	26	75.4 Å²	75.4	11%	0.114	38%	0.376	C	S	.	.			trans	-125.6	66.4	-175.8	-64.7	-77.8	0	0	0	112.1	A127 A128 M131 I259 L287 M288	A127-F291 HydrophobicContact CB-CD1 4.04Å; A127-F291 HydrophobicContact CB-CE1 3.97Å; A128-F291 HydrophobicContact CB-CB 4.05Å; A128-F291 WeakPolarHBondContact CB-O 3.42Å; M131-F291 HydrophobicContact CB-CD2 4.37Å; M131-F291 HydrophobicContact CB-CG 4.37Å; M131-F291 HydrophobicContact CE-CD2 4.46Å; M131-F291 HydrophobicContact CE-CE2 4.03Å; M131-F291 HydrophobicContact CG-CD1 4.1Å; M131-F291 HydrophobicContact CG-CD2 3.94Å; M131-F291 HydrophobicContact CG-CE1 4.12Å; M131-F291 HydrophobicContact CG-CE2 3.98Å; M131-F291 HydrophobicContact CG-CG 4.02Å; M131-F291 HydrophobicContact CG-CZ 4.08Å; I259-F291 HydrophobicContact CD1-CE2 4.09Å; I259-F291 HydrophobicContact CD1-CZ 3.74Å; L287-F291 HydrophobicContact CB-CE2 4.49Å; L287-F291 VanDerWaalsContact O-CD2 3.27Å; L287-F291 WeakPolarHBondContact O-CD2 3.46Å; M288-F291 HydrophobicContact CE-CB 4.33Å; M288-F291 CarbonylContact O-C 3.52Å; M288-F291 PolarHBondContact O-N 3.13Å; M288-F291 HydrophobicContact SD-CB 4.36Å
292	P	96.7	Very high	93.3	Very high	108 Å²	108	79 Å²	79	70%	0.701	40%	0.402	S	S	*	.			trans	-72.6	158.6	176.4	32.5	-36.6	0	0	0	112.4	A128 Y290	A128-P292 WeakPolarHBondContact CB-O 3.5Å; Y290-P292 VanDerWaalsContact C-CD 3.45Å; Y290-P292 WeakPolarHBondContact O-CD 3.35Å
293	G	96.3	Very high	91	Very high	26 Å²	26	79.8 Å²	79.8	27%	0.268	41%	0.407	S	S	.	.			trans	82.5	35.5	178	0	0	0	0	0	113.8	D295	G293-D295 VanDerWaalsContact C-N 3.35Å; G293-D295 WeakPolarHBondContact CA-OD1 3.4Å
294	A	96.7	Very high	88.3	Confident	14 Å²	14	87.8 Å²	87.8	12%	0.116	44%	0.436	C	S	.	.			trans	-86.2	-12.3	173.8	0	0	0	0	0	113.1	A128 M288	A128-A294 HydrophobicContact CB-CB 4.14Å; M288-A294 HydrophobicContact CE-CB 3.88Å
295	D	97	Very high	85.6	Confident	121 Å²	121	92.5 Å²	92.5	65%	0.647	47%	0.469	S	S	*	.	S	Bend	trans	-90.1	-6.7	178.3	53.5	-45.9	0	0	0	113	T169 G293	T169-D295 WeakPolarHBondContact CG2-O 3.4Å; G293-D295 VanDerWaalsContact C-N 3.35Å; G293-D295 WeakPolarHBondContact CA-OD1 3.4Å
296	E	97	Very high	82.6	Confident	105 Å²	105	97 Å²	97	49%	0.491	49%	0.49	S	S	.	.	S	Bend	trans	-70.4	128.4	172.9	-66.9	-63.9	150.4	0	0	110.1	H129 T169	H129-E296 PolarHBondContact NE2-O 3.39Å; T169-E296 VanDerWaalsContact CG2-O 3.27Å; T169-E296 WeakPolarHBondContact CG2-O 3.49Å
297	P	96.9	Very high	79.7	Confident	71 Å²	71	101.2 Å²	101.2	46%	0.461	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-60.9	150.1	175.1	-24.5	34.7	0	0	0	112.9	G167 Q299	G167-P297 WeakPolarHBondContact O-CA 3.47Å; P297-Q299 PolarHBondContact O-N 3.15Å
298	L	94.6	Very high	76.8	Confident	16 Å²	16	102.9 Å²	102.9	8%	0.084	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-62.1	132.8	173.9	-68.1	-179	0	0	0	111	V115 P123 W133 L164 G167	V115-L298 HydrophobicContact CG1-CD1 3.82Å; V115-L298 HydrophobicContact CG2-CD1 4.2Å; P123-L298 HydrophobicContact CB-CB 4.19Å; P123-L298 HydrophobicContact CB-CD1 4.48Å; P123-L298 HydrophobicContact CG-CD1 4.31Å; W133-L298 HydrophobicContact CH2-CD2 4.22Å; W133-L298 HydrophobicContact CZ2-CD1 4.08Å; W133-L298 HydrophobicContact CZ2-CD2 3.95Å; W133-L298 HydrophobicContact CZ2-CG 4.41Å; L164-L298 HydrophobicContact CD1-CD1 4.5Å; G167-L298 PolarHBondContact O-N 3.48Å
299	Q	85.5	Confident	73.9	Confident	138 Å²	138	109.9 Å²	109.9	65%	0.645	56%	0.563	S	S	*	*	B	Isolated β-bridge	trans	-104.1	121.2	178.8	-63.2	-179.7	4.7	0	0	110	Y124 P297	Y124-Q299 PolarHBondContact N-O 3.47Å; P297-Q299 PolarHBondContact O-N 3.15Å
300	Y	83.2	Confident	71.1	Confident	127 Å²	127	107 Å²	107	50%	0.498	57%	0.571	S	S	.	*			trans	-88.9	135.2	172.4	-63.5	-93.5	0	0	0	109.3	P123 C302	P123-Y300 HydrophobicContact CB-CD1 3.78Å; P123-Y300 HydrophobicContact CB-CE1 3.64Å; P123-Y300 HydrophobicContact CB-CE2 4.37Å; P123-Y300 HydrophobicContact CB-CG 4.22Å; P123-Y300 HydrophobicContact CG-CD1 4.27Å; P123-Y300 HydrophobicContact CG-CE1 3.71Å; Y300-C302 PolarHBondContact O-N 3.33Å
301	P	81.4	Confident	68.2	Low	75 Å²	75	107.4 Å²	107.4	49%	0.487	58%	0.584	S	S	.	*			trans	-64.1	124.1	176	25.3	-30.2	0	0	0	109.5	P121 L122 Q303	P121-P301 HydrophobicContact CB-CG 3.77Å; L122-P301 WeakPolarHBondContact O-CD 3.32Å; P301-Q303 PolarHBondContact O-N 2.73Å
302	C	54.3	Low	65.5	Low	103 Å²	103	112 Å²	112	70%	0.696	62%	0.619	S	S	*	*			trans	-68.9	114	175.7	-171.2	0	0	0	0	109.2	Y300 Y304	Y300-C302 PolarHBondContact O-N 3.33Å; C302-Y304 PolarHBondContact O-N 3.42Å
303	Q	50.5	Low	62.8	Low	145 Å²	145	111.2 Å²	111.2	68%	0.678	62%	0.622	S	S	*	*			trans	-77.8	101.9	168.6	-68.9	-178.2	-4.2	0	0	107.9	P301 S305	P301-Q303 PolarHBondContact O-N 2.73Å; Q303-S305 PolarHBondContact O-N 2.9Å
304	Y	40.7	Very low	60	Low	215 Å²	215	116.4 Å²	116.4	84%	0.843	65%	0.649	S	S	*	*			trans	-63.8	105	165.1	-82.4	-89.9	0	0	0	108.3	C302 D306	C302-Y304 PolarHBondContact O-N 3.42Å; Y304-D306 PolarHBondContact O-N 3.04Å
305	S	41.9	Very low	57.2	Low	99 Å²	99	120.4 Å²	120.4	69%	0.692	68%	0.676	S	S	*	*			trans	-69.5	111.5	160.3	49.4	0	0	0	0	107.8	Q303 E307	Q303-S305 PolarHBondContact O-N 2.9Å; S305-E307 PolarHBondContact O-N 3.21Å
306	D	35.9	Very low	54.5	Low	162 Å²	162	121.4 Å²	121.4	87%	0.866	69%	0.687	S	S	*	*			trans	-65.7	83.5	171.9	-158.6	14.4	0	0	0	109.4	Y304	Y304-D306 PolarHBondContact O-N 3.04Å
307	E	37.2	Very low	51.6	Low	182 Å²	182	119.6 Å²	119.6	85%	0.85	70%	0.696	S	S	*	*			trans	-107.7	88.1	169.3	-76.5	-96.9	145.3	0	0	106.6	S305	S305-E307 PolarHBondContact O-N 3.21Å
308	G	36.7	Very low	48.9	Very low	52 Å²	52	122.2 Å²	122.2	54%	0.536	72%	0.716	S	S	.	*			trans	-169.3	39.7	-170.4	0	0	0	0	0	116.8
309	Q	37.4	Very low	46.2	Very low	185 Å²	185	129.6 Å²	129.6	86%	0.864	75%	0.748	S	S	*	*			trans	-169.1	95.9	154.4	-106.1	152.2	68.1	0	0	110.5
310	S	39.3	Very low	44.1	Very low	122 Å²	122	129.3 Å²	129.3	85%	0.853	75%	0.748	S	S	*	*			trans	-136.4	125.7	159.1	-80.3	0	0	0	0	108.7
311	N	36.2	Very low	41.7	Very low	163 Å²	163	129.9 Å²	129.9	87%	0.872	76%	0.76	S	S	*	*			trans	-71.7	138.2	-163.2	-58.5	-47.6	0	0	0	112.7
312	S	40.6	Very low	39.6	Very low	122 Å²	122	134.4 Å²	134.4	85%	0.853	78%	0.778	S	S	*	*			trans	-134.6	117	155.8	52.5	0	0	0	0	109.4
313	A	39.2	Very low	38.7	Very low	92 Å²	92	133.2 Å²	133.2	76%	0.76	78%	0.776	S	S	*	*			trans	-69.2	149.1	-173.6	0	0	0	0	0	113.7
314	T	38.4	Very low	38	Very low	136 Å²	136	131.1 Å²	131.1	83%	0.834	78%	0.777	S	S	*	*			trans	-166.3	114.4	130.3	4	0	0	0	0	113
315	S	37.8	Very low	37.8	Very low	97 Å²	97	126.4 Å²	126.4	68%	0.678	77%	0.771	S	S	*	*			trans	47.4	133	141.5	69.4	0	0	0	0	124
316	T	39.1	Very low	37.6	Very low	143 Å²	143	128 Å²	128	88%	0.877	77%	0.772	S	S	*	*			trans	87.5	109.4	136.7	39.9	0	0	0	0	120.6
317	G	36.1	Very low	37.5	Very low	67 Å²	67	125.9 Å²	125.9	69%	0.691	77%	0.765	S	S	*	*			trans	139.4	97	132.5	0	0	0	0	0	117
318	S	40.3	Very low	37.7	Very low	126 Å²	126	122.2 Å²	122.2	88%	0.881	76%	0.759	S	S	*	*			trans	59.3	142.5	147.8	62.1	0	0	0	0	119.1
319	F	38.3	Very low	37.8	Very low	171 Å²	171	126.8 Å²	126.8	75%	0.75	77%	0.771	S	S	*	*			cis	-176.1	135.6	7.4	157	-92	0	0	0	107.5
320	M	41.1	Very low	37.8	Very low	131 Å²	131	127.6 Å²	127.6	65%	0.645	77%	0.772	S	S	*	*			trans	34.2	114.5	147.2	-60	-174.8	177.5	0	0	120.3
321	D	34.3	Very low	37.8	Very low	140 Å²	140	126.5 Å²	126.5	75%	0.749	77%	0.765	S	S	*	*				84.8	121.5	87.6	-73.5	-40.3	0	0	0	114.4
322	I	37.4	Very low	37.6	Very low	169 Å²	169	126.6 Å²	126.6	87%	0.867	77%	0.765	S	S	*	*				174.7	130.6	114.8	-87.4	163.1	0	0	0	110.3
323	A	33.9	Very low	37.4	Very low	79 Å²	79	127.2 Å²	127.2	65%	0.653	76%	0.764	S	S	*	*			trans	-64.8	158.1	175.7	0	0	0	0	0	113.9
324	S	37.4	Very low	37	Very low	101 Å²	101	131 Å²	131	71%	0.706	77%	0.771	S	S	*	*				167.5	121.1	110.1	-72.2	0	0	0	0	113.3
325	T	36	Very low	36.8	Very low	115 Å²	115	133 Å²	133	71%	0.706	77%	0.773	S	S	*	*			trans	64.6	123.2	131.8	58.3	0	0	0	0	122.9
326	N	37	Very low	36.4	Very low	133 Å²	133	137.1 Å²	137.1	71%	0.711	78%	0.782	S	S	*	*				110.1	105.6	119.3	-79.7	-0.3	0	0	0	120.4
327	T	34.4	Very low	35.9	Very low	117 Å²	117	139.6 Å²	139.6	72%	0.718	78%	0.783	S	S	*	*				61.6	118.2	124.9	64.9	0	0	0	0	119.7
328	S	40.7	Very low	35.6	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	79%	0.787	S	S	*	*				177.6	122.1	106.4	44.7	0	0	0	0	113.6
329	N	38	Very low	35.2	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	78%	0.781	S	S	*	*			trans	46.1	131	130.6	-56.8	-13.9	0	0	0	123
330	K	38.6	Very low	34.8	Very low	201 Å²	201	137.9 Å²	137.9	87%	0.874	78%	0.779	S	S	*	*			trans	107.4	136.3	145.6	-67.4	176.3	177.1	172.8	0	113.3
331	S	39.1	Very low	34.5	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	77%	0.773	S	S	*	*			cis	-176.1	137.8	-8.7	40.7	0	0	0	0	104.8
332	D	31.9	Very low	34.6	Very low	164 Å²	164	136.3 Å²	136.3	88%	0.877	78%	0.776	S	S	*	*			trans	-63.5	134.2	179	-60.3	-64.3	0	0	0	112.9
333	T	35.6	Very low	34.8	Very low	135 Å²	135	131.8 Å²	131.8	83%	0.828	75%	0.754	S	S	*	*			trans	-136.8	103.3	150	43.2	0	0	0	0	109.1	M335	T333-M335 PolarHBondContact O-N 3.3Å
334	N	32	Very low	35.6	Very low	173 Å²	173	129.8 Å²	129.8	93%	0.925	73%	0.734	S	S	*	*			trans	-55.6	123.7	160.3	-118.8	-10.1	0	0	0	108.8
335	M	33.6	Very low	36	Very low	178 Å²	178	126.3 Å²	126.3	88%	0.877	71%	0.707	S	S	*	*			trans	-125.1	112	166.7	-164.2	172.2	158.8	0	0	107.4	T333 Q337	T333-M335 PolarHBondContact O-N 3.3Å; M335-Q337 PolarHBondContact O-N 2.89Å
336	E	30.3	Very low	36.4	Very low	182 Å²	182	128.5 Å²	128.5	85%	0.85	71%	0.707	S	S	*	*			trans	-49.2	125.7	175.3	-85.2	167.1	112.2	0	0	111.3	V338	E336-V338 PolarHBondContact O-N 3.19Å
337	Q	27.9	Very low	36.8	Very low	195 Å²	195	130.6 Å²	130.6	91%	0.911	71%	0.705	S	S	*	*			trans	-70.5	105.3	166.5	-84.2	174.7	-32	0	0	109.5	M335	M335-Q337 PolarHBondContact O-N 2.89Å
338	V	29.1	Very low	37.4	Very low	128 Å²	128	126.9 Å²	126.9	78%	0.776	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-81.2	126.2	159.6	-179.8	0	0	0	0	107.5	E336 A340	E336-V338 PolarHBondContact O-N 3.19Å; V338-A340 PolarHBondContact O-N 3.23Å
339	P	32.3	Very low	37.6	Very low	114 Å²	114	127.1 Å²	127.1	74%	0.74	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-68.7	122.9	179.4	27.4	-31.7	0	0	0	109.7	T341	P339-T341 PolarHBondContact O-N 3.42Å
340	A	30.2	Very low	37.8	Very low	87 Å²	87	123.1 Å²	123.1	72%	0.719	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-63.5	116.6	178.8	0	0	0	0	0	110.5	V338 N342	V338-A340 PolarHBondContact O-N 3.23Å; A340-N342 PolarHBondContact O-N 3.4Å; A340-N342 VanDerWaalsContact O-N 3.15Å
341	T	34.7	Very low	38.2	Very low	84 Å²	84	120.6 Å²	120.6	52%	0.515	64%	0.642	S	S	.	*			trans	-63.7	112.6	167.4	50.2	0	0	0	0	109	P339 D343	P339-T341 PolarHBondContact O-N 3.42Å; T341-D343 PolarHBondContact O-N 2.89Å
342	N	36.6	Very low	38.3	Very low	153 Å²	153	120 Å²	120	82%	0.818	63%	0.631	S	S	*	*			trans	-73	75	173.4	-79	-32.8	0	0	0	109.7	A340 T344	A340-N342 PolarHBondContact O-N 3.4Å; A340-N342 VanDerWaalsContact O-N 3.15Å; N342-T344 PolarHBondContact O-N 3.39Å
343	D	41.9	Very low	38.9	Very low	74 Å²	74	117.9 Å²	117.9	40%	0.396	62%	0.619	S	S	.	*			trans	-72.4	107.3	169.6	-71.6	-41.2	0	0	0	109.3	T341 I345 K346	T341-D343 PolarHBondContact O-N 2.89Å; D343-I345 PolarHBondContact O-N 3.41Å; D343-K346 HydrophobicContact CB-CG 4.46Å; D343-K346 PolarHBondContact O-N 3.49Å
344	T	49.8	Very low	39.4	Very low	38 Å²	38	118.7 Å²	118.7	23%	0.233	61%	0.611	C	S	.	*	G	3₁₀ helix	trans	-51.8	-16.8	172.6	-47.7	0	0	0	0	112.8	A127 N342	A127-T344 HydrophobicContact CB-CG2 4.43Å; N342-T344 PolarHBondContact O-N 3.39Å
345	I	46.9	Very low	39.8	Very low	27 Å²	27	116.4 Å²	116.4	14%	0.138	60%	0.598	C	S	.	*	G	3₁₀ helix	trans	-78.5	-19.7	-176	-59.7	177.5	0	0	0	113.3	I223 I252 N254 D343 R347 L348	I223-I345 HydrophobicContact CG2-CD1 4.37Å; I252-I345 HydrophobicContact CG2-CD1 3.42Å; I252-I345 VanDerWaalsContact CG2-CD1 3.42Å; N254-I345 HydrophobicContact CB-CG2 4Å; D343-I345 PolarHBondContact O-N 3.41Å; I345-R347 PolarHBondContact O-N 3.05Å; I345-L348 PolarHBondContact O-N 3.36Å
346	K	43.4	Very low	40.1	Very low	161 Å²	161	114.7 Å²	114.7	70%	0.7	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-61.8	-10.1	-175.3	-75.3	-176.5	179	172.3	0	115.5	D343	D343-K346 HydrophobicContact CB-CG 4.46Å; D343-K346 PolarHBondContact O-N 3.49Å
347	R	45.5	Very low	40.4	Very low	178 Å²	178	110.2 Å²	110.2	67%	0.672	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-97.6	-12.6	174	-97.8	178.3	-178.4	155.4	-0.8	115.4	I345 E349 S350	I345-R347 PolarHBondContact O-N 3.05Å; R347-E349 PolarHBondContact O-N 3.4Å; R347-S350 PolarHBondContact O-OG 2.87Å
348	L	46.6	Very low	40.8	Very low	39 Å²	39	109.7 Å²	109.7	20%	0.204	58%	0.577	C	S	.	*	H	α-helix	trans	-66.9	-36	-173.8	-117.5	105.9	0	0	0	113	A127 P256 I345 S350 K351 L352	A127-L348 HydrophobicContact CB-CD1 4.35Å; P256-L348 HydrophobicContact CG-CD2 3.53Å; I345-L348 PolarHBondContact O-N 3.36Å; L348-S350 PolarHBondContact O-N 3.12Å; L348-K351 PolarHBondContact O-N 2.66Å; L348-L352 PolarHBondContact O-N 2.87Å
349	E	45.1	Very low	41.1	Very low	110 Å²	110	112.1 Å²	112.1	51%	0.514	58%	0.58	S	S	.	*	H	α-helix	trans	-67	-36.6	-175.3	-68.5	175.9	-179.6	0	0	112.5	N254 R347 K351 L353	N254-E349 PolarHBondContact ND2-OE1 3Å; R347-E349 PolarHBondContact O-N 3.4Å; E349-K351 VanDerWaalsContact C-N 3.32Å; E349-K351 PolarHBondContact O-N 3.17Å; E349-L353 HydrophobicContact CB-CD1 4.46Å; E349-L353 WeakPolarHBondContact O-CD1 3.4Å; E349-L353 PolarHBondContact O-N 2.89Å
350	S	43.2	Very low	41	Very low	64 Å²	64	115.5 Å²	115.5	45%	0.448	59%	0.586	S	S	.	*	H	α-helix	trans	-72.2	-22.3	-176.7	70.2	0	0	0	0	114.6	R347 L348 K354	R347-S350 PolarHBondContact O-OG 2.87Å; L348-S350 PolarHBondContact O-N 3.12Å; S350-K354 VanDerWaalsContact O-CD 3.32Å; S350-K354 WeakPolarHBondContact O-CD 3.18Å; S350-K354 VanDerWaalsContact O-CG 3.27Å; S350-K354 WeakPolarHBondContact O-CG 3.45Å
351	K	46.3	Very low	40.9	Very low	148 Å²	148	116.6 Å²	116.6	64%	0.643	59%	0.589	S	S	*	*	H	α-helix	trans	-101.2	-31	-176.3	-69.2	-173.4	177.8	-175.9	0	112.9	L348 E349 N355	L348-K351 PolarHBondContact O-N 2.66Å; E349-K351 VanDerWaalsContact C-N 3.32Å; E349-K351 PolarHBondContact O-N 3.17Å; K351-N355 PolarHBondContact O-N 3.46Å
352	L	42.3	Very low	40.8	Very low	89 Å²	89	121.7 Å²	121.7	47%	0.466	61%	0.606	S	S	.	*	H	α-helix	trans	-72.6	-40.6	174.6	-120.3	86	0	0	0	112.1	L348 K354 N355 Q356	L348-L352 PolarHBondContact O-N 2.87Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-K354 PolarHBondContact O-N 3.35Å; L352-N355 PolarHBondContact O-N 3.03Å; L352-Q356 PolarHBondContact O-N 3.14Å
353	L	44.4	Very low	40.7	Very low	119 Å²	119	120.4 Å²	120.4	62%	0.623	61%	0.609	S	S	*	*	H	α-helix	trans	-69.7	-29.1	177.3	-81.6	97.2	0	0	0	112.9	E349 A357	E349-L353 HydrophobicContact CB-CD1 4.46Å; E349-L353 WeakPolarHBondContact O-CD1 3.4Å; E349-L353 PolarHBondContact O-N 2.89Å; L353-A357 WeakPolarHBondContact O-CB 3.44Å; L353-A357 PolarHBondContact O-N 3.13Å
354	K	44.9	Very low	40.2	Very low	152 Å²	152	120.5 Å²	120.5	66%	0.661	63%	0.628	S	S	*	*	H	α-helix	trans	-75	-22.6	177.4	-77.4	-177.9	-177.5	179.1	0	113.9	S350 L352	S350-K354 VanDerWaalsContact O-CD 3.32Å; S350-K354 WeakPolarHBondContact O-CD 3.18Å; S350-K354 VanDerWaalsContact O-CG 3.27Å; S350-K354 WeakPolarHBondContact O-CG 3.45Å; L352-K354 VanDerWaalsContact C-N 3.34Å; L352-K354 PolarHBondContact O-N 3.35Å
355	N	40.9	Very low	39.1	Very low	124 Å²	124	129.8 Å²	129.8	66%	0.663	66%	0.658	S	S	*	*	H	α-helix	trans	-94.5	-19.5	177.5	-75.4	-8.5	0	0	0	113.3	K351 L352	K351-N355 PolarHBondContact O-N 3.46Å; L352-N355 PolarHBondContact O-N 3.03Å
356	Q	40.6	Very low	38.5	Very low	143 Å²	143	135.3 Å²	135.3	67%	0.668	69%	0.688	S	S	*	*	H	α-helix	trans	-81.1	-23.7	168.5	-73.5	-177.6	-7.9	0	0	112.9	L352 K358	L352-Q356 PolarHBondContact O-N 3.14Å; Q356-K358 PolarHBondContact O-N 2.85Å
357	A	36.3	Very low	37.9	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	3.8	176.4	0	0	0	0	0	115	L353	L353-A357 WeakPolarHBondContact O-CB 3.44Å; L353-A357 PolarHBondContact O-N 3.13Å
358	K	35.3	Very low	37.3	Very low	184 Å²	184	132.1 Å²	132.1	80%	0.8	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	14.2	-176	-130.7	176.8	-176.3	-177.8	0	114.9	Q356	Q356-K358 PolarHBondContact O-N 2.85Å
359	Q	35	Very low	36.6	Very low	179 Å²	179	134 Å²	134	84%	0.836	73%	0.727	S	S	*	*	S	Bend	trans	-135.7	16.3	179.3	-77.3	-169.5	-18.6	0	0	115.3
360	Q	31.9	Very low	35.8	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.864	74%	0.741	S	S	*	*			trans	-130	79.5	173.5	-76.3	-179.4	-6.8	0	0	110.5
361	S	27.3	Very low	35.5	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	76%	0.763	S	S	*	*			trans	-134.5	80.8	163.3	66.9	0	0	0	0	108.3
362	E	32	Very low	34.8	Very low	191 Å²	191	141.7 Å²	141.7	89%	0.893	78%	0.778	S	S	*	*			trans	-172.6	135.8	151.7	-109.3	169.3	-174.7	0	0	110.8
363	S	34.1	Very low	34.4	Very low	125 Å²	125	141.5 Å²	141.5	87%	0.874	80%	0.798	S	S	*	*			trans	83	100.7	167.2	-61.3	0	0	0	0	119.9
364	G	31.6	Very low	33.8	Very low	76 Å²	76	141.1 Å²	141.1	78%	0.784	81%	0.805	S	S	*	*				101.7	71.7	103.1	0	0	0	0	0	119.5
365	R	28.4	Very low	33.3	Very low	233 Å²	233	138.9 Å²	138.9	88%	0.879	81%	0.808	S	S	*	*				39.8	129.8	128.3	-145.4	178.8	-167.9	-174.5	2.7	120.9
366	L	33.7	Very low	33	Very low	144 Å²	144	139 Å²	139	75%	0.754	81%	0.813	S	S	*	*			trans	133.2	95.1	141.5	-68.7	170.8	0	0	0	111.5
367	S	31.1	Very low	32.6	Very low	94 Å²	94	141.7 Å²	141.7	66%	0.657	83%	0.826	S	S	*	*				59	137.5	93.5	83.9	0	0	0	0	114
368	L	31.5	Very low	32.3	Very low	177 Å²	177	142.6 Å²	142.6	93%	0.927	83%	0.827	S	S	*	*			cis	-178.1	154.2	6.9	-115.6	159.1	0	0	0	104
369	G	32.6	Very low	32.3	Very low	80 Å²	80	141.9 Å²	141.9	83%	0.825	83%	0.831	S	S	*	*			trans	139.6	87.1	156.8	0	0	0	0	0	116.5
370	A	28.7	Very low	32.3	Very low	97 Å²	97	138.1 Å²	138.1	80%	0.802	82%	0.822	S	S	*	*			trans	-88.1	144.6	162.9	0	0	0	0	0	110.4
371	S	36.7	Very low	32.3	Very low	129 Å²	129	135.5 Å²	135.5	90%	0.902	82%	0.821	S	S	*	*			trans	-150.3	135.6	153	-90.5	0	0	0	0	112.1
372	R	31.7	Very low	32.6	Very low	256 Å²	256	136.1 Å²	136.1	97%	0.966	82%	0.82	S	S	*	*			trans	-77.6	152.3	-178.6	-70.3	165.3	158.8	163.9	-7.8	111
373	G	34	Very low	32.8	Very low	85 Å²	85	132 Å²	132	88%	0.876	81%	0.813	S	S	*	*			trans	-161.7	118.5	163	0	0	0	0	0	110.9
374	S	31	Very low	32.6	Very low	112 Å²	112	135.3 Å²	135.3	78%	0.783	82%	0.815	S	S	*	*			trans	-105.6	144.4	-176.7	141.5	0	0	0	0	110.2
375	S	34.8	Very low	32.7	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	81%	0.813	S	S	*	*			trans	167.8	109.3	141.5	-100.7	0	0	0	0	109
376	V	33.6	Very low	32.9	Very low	127 Å²	127	134 Å²	134	77%	0.77	81%	0.814	S	S	*	*				45.5	108.7	91.1	-49.2	0	0	0	0	115.8
377	E	32.2	Very low	32.8	Very low	200 Å²	200	138.6 Å²	138.6	94%	0.935	82%	0.822	S	S	*	*			trans	-163.6	142.2	133.5	-128.8	160.4	-178.5	0	0	110.9
378	S	30.2	Very low	32.8	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	84%	0.836	S	S	*	*			trans	-136.7	160.7	-175.9	-54.2	0	0	0	0	108.8
379	L	36.3	Very low	32.6	Very low	168 Å²	168	140.6 Å²	140.6	88%	0.88	83%	0.831	S	S	*	*			trans	112.8	154	163.8	-63.8	159.3	0	0	0	114.8
380	P	34.9	Very low	32.6	Very low	101 Å²	101	141.6 Å²	141.6	66%	0.656	83%	0.832	S	S	*	*			cis	-137.7	175.8	-32.6	35	-16.6	0	0	0	113.3
381	P	32.1	Very low	32.5	Very low	129 Å²	129	143 Å²	143	84%	0.838	83%	0.826	S	S	*	*			trans	-94.7	149	172	35.8	-28.4	0	0	0	112.4
382	T	34.2	Very low	32.2	Very low	124 Å²	124	145.1 Å²	145.1	76%	0.761	82%	0.824	S	S	*	*			trans	-135.4	125.2	175	41.4	0	0	0	0	111.5
383	S	34.3	Very low	32	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	81%	0.812	S	S	*	*			trans	40.2	148.7	132.2	74	0	0	0	0	120.1
384	E	30.8	Very low	31.8	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	81%	0.808	S	S	*	*			cis	179.2	158.6	3.7	-115.9	-169.8	175	0	0	105.9
385	G	33.5	Very low	31.7	Very low	73 Å²	73	144.2 Å²	144.2	75%	0.753	81%	0.81	S	S	*	*			trans	98.7	139	157	0	0	0	0	0	115.2
386	K	33.5	Very low	31.3	Very low	208 Å²	208	148.8 Å²	148.8	90%	0.904	82%	0.82	S	S	*	*			cis	-164	133.6	10.6	-140.1	161.4	-174.3	169.3	0	107.2
387	R	30.6	Very low	31	Very low	242 Å²	242	146.4 Å²	146.4	91%	0.913	81%	0.814	S	S	*	*			trans	-62.6	142.6	171.2	-73.5	177	173.7	-170.1	-3.5	110.9
388	M	31.3	Very low	30.9	Very low	192 Å²	192	148.5 Å²	148.5	95%	0.946	81%	0.813	S	S	*	*			trans	-131.4	111.8	147.3	-76.8	177.1	65.7	0	0	107.8
389	S	28.4	Very low	30.9	Very low	120 Å²	120	151.3 Å²	151.3	84%	0.839	82%	0.818	S	S	*	*			trans	-81.3	136	166.2	54.2	0	0	0	0	109.3
390	A	30.5	Very low	30.4	Very low	101 Å²	101	148.3 Å²	148.3	84%	0.835	82%	0.818	S	S	*	*			trans	-137.3	123.3	155	0	0	0	0	0	108.5
391	D	27.8	Very low	30.2	Very low	128 Å²	128	147.5 Å²	147.5	68%	0.684	82%	0.82	S	S	*	*			trans	-58.2	134.3	178.2	-174.1	7.9	0	0	0	112.3	S393	D391-S393 PolarHBondContact OD1-N 3.07Å; D391-S393 PolarHBondContact OD1-OG 3.35Å; D391-S393 VanDerWaalsContact OD1-OG 3.12Å
392	M	30	Very low	30.1	Very low	173 Å²	173	147.5 Å²	147.5	85%	0.852	82%	0.817	S	S	*	*			trans	-145	74.9	160.4	-78.1	-59.3	-72.8	0	0	108.5	E394	M392-E394 PolarHBondContact O-N 3.16Å
393	S	28.8	Very low	29.9	Very low	102 Å²	102	147.2 Å²	147.2	71%	0.713	82%	0.816	S	S	*	*			trans	-77.4	93.9	159.1	-54.3	0	0	0	0	109	D391	D391-S393 PolarHBondContact OD1-N 3.07Å; D391-S393 PolarHBondContact OD1-OG 3.35Å; D391-S393 VanDerWaalsContact OD1-OG 3.12Å
394	E	29.6	Very low	29.6	Very low	171 Å²	171	146.3 Å²	146.3	80%	0.799	82%	0.815	S	S	*	*			trans	-170.2	135.9	155.2	-119.4	174.6	174	0	0	111.1	M392	M392-E394 PolarHBondContact O-N 3.16Å
395	I	28.4	Very low	29.6	Very low	161 Å²	161	147.8 Å²	147.8	83%	0.826	81%	0.813	S	S	*	*			trans	97.4	56.8	171.5	-45.9	159.5	0	0	0	115.2
396	E	26.2	Very low	29.6	Very low	199 Å²	199	149.1 Å²	149.1	93%	0.93	81%	0.811	S	S	*	*			trans	-93.5	108.5	136.5	-82.2	-175.1	150.7	0	0	108.3
397	A	28.2	Very low	29.3	Very low	78 Å²	78	148.8 Å²	148.8	65%	0.645	81%	0.81	S	S	*	*			trans	174.4	136.1	151.9	0	0	0	0	0	109.7
398	R	29.8	Very low	29.4	Very low	243 Å²	243	143.4 Å²	143.4	92%	0.917	81%	0.806	S	S	*	*	S	Bend	trans	87.2	95.6	-178.4	-49.7	169.7	-177.6	-164.2	0.3	111.2
399	I	29.8	Very low	29.3	Very low	166 Å²	166	143.7 Å²	143.7	85%	0.851	80%	0.802	S	S	*	*				-157.9	113.9	58.7	-74.1	154.5	0	0	0	107.9
400	A	26.4	Very low	29.5	Very low	105 Å²	105	150.1 Å²	150.1	87%	0.868	81%	0.808	S	S	*	*			trans	-131.9	117.3	164.1	0	0	0	0	0	107.4
401	A	29.4	Very low	29.5	Very low	84 Å²	84	148.9 Å²	148.9	69%	0.694	81%	0.806	S	S	*	*			trans	157.6	112.6	162.9	0	0	0	0	0	104.8
402	T	29.7	Very low	29.5	Very low	129 Å²	129	152.2 Å²	152.2	79%	0.791	82%	0.817	S	S	*	*				-169.3	112.6	85.6	-60.9	0	0	0	0	108.9
403	T	30.7	Very low	29.4	Very low	118 Å²	118	155.6 Å²	155.6	72%	0.724	82%	0.82	S	S	*	*			trans	32.7	114.9	144.7	45.4	0	0	0	0	119.6
404	A	28	Very low	29.4	Very low	87 Å²	87	160.1 Å²	160.1	72%	0.719	83%	0.827	S	S	*	*				62.1	104.9	64.3	0	0	0	0	0	115.3
405	Y	31.9	Very low	29.4	Very low	223 Å²	223	158.8 Å²	158.8	88%	0.875	83%	0.83	S	S	*	*			trans	-154.2	111	146.2	-93.9	-74.9	0	0	0	112.3
406	S	32.7	Very low	29.3	Very low	102 Å²	102	156 Å²	156	71%	0.713	83%	0.831	S	S	*	*			trans	26.9	125.2	142.1	48.5	0	0	0	0	123.6
407	K	27.5	Very low	29.4	Very low	200 Å²	200	151.8 Å²	151.8	87%	0.87	82%	0.824	S	S	*	*			trans	-70.2	160.1	156.9	-70.7	178.8	175.6	175.8	0	112.7
408	P	32	Very low	29.4	Very low	129 Å²	129	158.3 Å²	158.3	84%	0.838	84%	0.838	S	S	*	*			trans	-132.2	146.9	130.7	32.9	-19.2	0	0	0	114.3
409	K	30.1	Very low	29.3	Very low	199 Å²	199	149.9 Å²	149.9	87%	0.865	83%	0.826	S	S	*	*			trans	-84.1	141.7	171.6	-70.2	177.2	173	178.5	0	110.8
410	R	31.4	Very low	29.3	Very low	254 Å²	254	147.1 Å²	147.1	96%	0.958	81%	0.813	S	S	*	*				152.8	142.7	126.9	-93.3	-178.3	164.3	179	-3.6	112
411	G	30.2	Very low	29.4	Very low	76 Å²	76	148.8 Å²	148.8	78%	0.784	81%	0.806	S	S	*	*			trans	135.7	100.5	145.6	0	0	0	0	0	115.3
412	H	28.4	Very low	29.6	Very low	198 Å²	198	152.9 Å²	152.9	92%	0.917	82%	0.815	S	S	*	*			trans	-60.8	137.3	165.9	-77.5	30.2	0	0	0	112
413	R	29.1	Very low	29.5	Very low	244 Å²	244	153.8 Å²	153.8	92%	0.921	82%	0.815	S	S	*	*			trans	-158.4	125.9	138	-141.9	171	-173	167.8	0.6	110.8
414	K	26.9	Very low	29.5	Very low	197 Å²	197	154 Å²	154	86%	0.857	82%	0.817	S	S	*	*			trans	-69.1	137.8	170.4	-63	176.1	175.1	-179.5	0	109.6
415	T	30.7	Very low	29.4	Very low	143 Å²	143	155.3 Å²	155.3	88%	0.877	82%	0.818	S	S	*	*			trans	-167.6	132.1	143.1	30.8	0	0	0	0	108.9
416	A	25.3	Very low	29.2	Very low	101 Å²	101	153.1 Å²	153.1	84%	0.835	82%	0.815	S	S	*	*			trans	-69.5	141.4	177	0	0	0	0	0	112.4
417	S	29.5	Very low	29.1	Very low	112 Å²	112	155.3 Å²	155.3	78%	0.783	82%	0.818	S	S	*	*			trans	-178.9	134.3	144.1	57.8	0	0	0	0	109.9
418	F	28.3	Very low	28.9	Very low	215 Å²	215	151 Å²	151	94%	0.943	81%	0.807	S	S	*	*			trans	-32.8	137.1	172.2	-63.3	-94.9	0	0	0	115
419	G	28.1	Very low	28.9	Very low	65 Å²	65	152.1 Å²	152.1	67%	0.67	81%	0.805	S	S	*	*			trans	-148.2	102.4	179.6	0	0	0	0	0	112.3
420	N	28.2	Very low	28.6	Very low	108 Å²	108	148.1 Å²	148.1	58%	0.578	80%	0.802	S	S	*	*			trans	-64.9	123.7	145.7	-76.5	-22.6	0	0	0	107.5	V42	V42-N420 PolarHBondContact O-ND2 3.22Å
421	I	29.1	Very low	28.7	Very low	141 Å²	141	139.3 Å²	139.3	72%	0.723	79%	0.791	S	S	*	*			trans	-161.9	122.1	147.9	-117.5	163.1	0	0	0	109.3	D423	I421-D423 PolarHBondContact O-N 2.91Å
422	L	33.2	Very low	28.6	Very low	169 Å²	169	144.3 Å²	144.3	89%	0.885	80%	0.8	S	S	*	*			trans	-74.1	97.8	162.4	-72.6	168.4	0	0	0	106.7	V424	L422-V424 PolarHBondContact O-N 3.2Å
423	D	27.9	Very low	28.8	Very low	148 Å²	148	138.4 Å²	138.4	79%	0.791	79%	0.792	S	S	*	*			trans	-77	96.4	162.5	-87.1	-26.1	0	0	0	108.2	I421	I421-D423 PolarHBondContact O-N 2.91Å
424	V	30.6	Very low	28.8	Very low	124 Å²	124	135 Å²	135	75%	0.752	79%	0.787	S	S	*	*			trans	-97.2	118.9	158.6	-178.8	0	0	0	0	106.7	L422 E426	L422-V424 PolarHBondContact O-N 3.2Å; V424-E426 PolarHBondContact O-N 3.02Å
425	P	26.6	Very low	29	Very low	114 Å²	114	131.4 Å²	131.4	74%	0.74	78%	0.783	S	S	*	*			trans	-67	127.1	-179.8	3.8	3.7	0	0	0	110.8	I427	P425-I427 PolarHBondContact O-N 3.12Å
426	E	28.3	Very low	29	Very low	176 Å²	176	136 Å²	136	82%	0.822	79%	0.785	S	S	*	*			trans	-67.5	113.2	171.5	-161.8	176.5	-154.2	0	0	109.5	V424 V428	V424-E426 PolarHBondContact O-N 3.02Å; E426-V428 PolarHBondContact O-N 3.29Å
427	I	28.7	Very low	29.2	Very low	149 Å²	149	142.4 Å²	142.4	76%	0.764	79%	0.787	S	S	*	*			trans	-81.5	100	168.7	-61.8	175	0	0	0	107.3	P425 I429	P425-I427 PolarHBondContact O-N 3.12Å; I427-I429 HydrophobicContact CG2-CG1 4.25Å; I427-I429 PolarHBondContact O-N 2.96Å
428	V	25.3	Very low	29.4	Very low	108 Å²	108	148.6 Å²	148.6	66%	0.655	79%	0.794	S	S	*	*			trans	-70.4	110.4	170.2	176.8	0	0	0	0	109	E426	E426-V428 PolarHBondContact O-N 3.29Å
429	I	31.2	Very low	29.5	Very low	153 Å²	153	143 Å²	143	79%	0.785	78%	0.781	S	S	*	*			trans	-97.2	105.7	161.6	-57.9	179.6	0	0	0	107.3	I427 G431	I427-I429 HydrophobicContact CG2-CG1 4.25Å; I427-I429 PolarHBondContact O-N 2.96Å; I429-G431 PolarHBondContact O-N 3.14Å
430	S	24.5	Very low	29.7	Very low	115 Å²	115	146.6 Å²	146.6	80%	0.804	78%	0.783	S	S	*	*			trans	-73	118.5	166.4	-75.3	0	0	0	0	109.6
431	G	32.2	Very low	30	Very low	70 Å²	70	149.2 Å²	149.2	72%	0.722	79%	0.792	S	S	*	*			trans	-146.3	103.6	171.4	0	0	0	0	0	110.5	I429 G433	I429-G431 PolarHBondContact O-N 3.14Å; G431-G433 PolarHBondContact O-N 3.21Å
432	N	29.1	Very low	30	Very low	181 Å²	181	149.3 Å²	149.3	97%	0.968	79%	0.794	S	S	*	*			trans	-56.6	128.2	172.6	-85.7	-7	0	0	0	111.5
433	G	31.8	Very low	30.1	Very low	74 Å²	74	148.5 Å²	148.5	76%	0.763	79%	0.79	S	S	*	*			trans	179.1	111.9	167.8	0	0	0	0	0	112.6	G431	G431-G433 PolarHBondContact O-N 3.21Å
434	Q	30.2	Very low	30.3	Very low	173 Å²	173	146.9 Å²	146.9	81%	0.808	79%	0.785	S	S	*	*			trans	-57.1	153.2	-171.2	-68.2	-135.4	-40.5	0	0	116.3
435	P	29.9	Very low	30.5	Very low	121 Å²	121	146.6 Å²	146.6	79%	0.786	78%	0.784	S	S	*	*			trans	-88.4	129	168.4	34.7	-27.2	0	0	0	110.3
436	R	30	Very low	30.9	Very low	239 Å²	239	147.9 Å²	147.9	90%	0.902	79%	0.79	S	S	*	*			trans	-127.4	108.2	160.8	-94.9	-172.1	177.8	166.4	0.4	111.6
437	R	29.6	Very low	31.1	Very low	236 Å²	236	142.6 Å²	142.6	89%	0.891	78%	0.782	S	S	*	*			trans	-86.4	131.5	164.9	-159.7	-175.2	-163.2	-143.6	4.1	107.4
438	R	33.7	Very low	31.5	Very low	242 Å²	242	142.7 Å²	142.7	91%	0.913	79%	0.79	S	S	*	*				169.3	153.1	128.8	-93.8	176.2	-172.5	-175.1	3.2	113.1
439	S	31.5	Very low	31.8	Very low	96 Å²	96	146.1 Å²	146.1	67%	0.671	80%	0.799	S	S	*	*			trans	-76.4	150.6	-170.5	57.8	0	0	0	0	115.6
440	I	31.3	Very low	32.3	Very low	141 Å²	141	144.7 Å²	144.7	72%	0.723	80%	0.799	S	S	*	*				65.1	134.4	129.2	-63.3	170.7	0	0	0	119.6
441	Q	34.6	Very low	32.9	Very low	163 Å²	163	143 Å²	143	76%	0.762	80%	0.8	S	S	*	*			trans	98.5	102.7	156.6	-85.4	156.7	18.9	0	0	119.6
442	D	30.6	Very low	33	Very low	143 Å²	143	148.5 Å²	148.5	77%	0.765	81%	0.807	S	S	*	*				73	141.8	125.3	-63.2	-17.4	0	0	0	123.1
443	L	34.5	Very low	33.3	Very low	153 Å²	153	146.2 Å²	146.2	80%	0.801	80%	0.799	S	S	*	*			trans	98.9	87.6	156.5	-65.8	140.3	0	0	0	119.5
444	T	32.5	Very low	33.4	Very low	113 Å²	113	147.9 Å²	147.9	69%	0.693	80%	0.799	S	S	*	*				49.5	121.9	116.1	56.5	0	0	0	0	122.9
445	V	33.9	Very low	33.8	Very low	119 Å²	119	145.3 Å²	145.3	72%	0.721	80%	0.8	S	S	*	*				95.5	120.6	119.8	172.1	0	0	0	0	120.3
446	T	35.7	Very low	34.1	Very low	141 Å²	141	151.3 Å²	151.3	87%	0.865	81%	0.807	S	S	*	*			trans	65.8	140.7	154.2	59.4	0	0	0	0	118.9
447	G	33.4	Very low	34.4	Very low	64 Å²	64	145.5 Å²	145.5	66%	0.66	80%	0.803	S	S	*	*			cis	168.5	166.8	4.1	0	0	0	0	0	109.2
448	T	36	Very low	34.8	Very low	152 Å²	152	139.8 Å²	139.8	93%	0.933	80%	0.799	S	S	*	*			trans	79.8	108.8	160	21.8	0	0	0	0	121.9
449	E	30.8	Very low	34.7	Very low	180 Å²	180	133.6 Å²	133.6	84%	0.841	79%	0.793	S	S	*	*			trans	-69.2	178.8	145.7	-80.6	-144.5	143.6	0	0	111.3
450	P	43.4	Very low	35.1	Very low	122 Å²	122	135.3 Å²	135.3	79%	0.792	80%	0.802	S	S	*	*			cis	-149.3	-171.9	24.9	39.6	-15.7	0	0	0	117.3
451	G	35.5	Very low	35	Very low	79 Å²	79	133.8 Å²	133.8	81%	0.814	80%	0.804	S	S	*	*			trans	153.1	120.2	152.7	0	0	0	0	0	118.8
452	Q	34.4	Very low	34.9	Very low	186 Å²	186	133.2 Å²	133.2	87%	0.869	81%	0.811	S	S	*	*			trans	-75.7	172.7	-175.2	-65.9	164.2	-60.7	0	0	116.4
453	V	36	Very low	34.8	Very low	133 Å²	133	136.8 Å²	136.8	81%	0.806	81%	0.814	S	S	*	*				155.7	101.6	125.3	177.8	0	0	0	0	109.8
454	S	34.2	Very low	34.5	Very low	110 Å²	110	137.3 Å²	137.3	77%	0.769	81%	0.814	S	S	*	*				69	123.4	92.1	-68.1	0	0	0	0	120
455	S	38.3	Very low	34.6	Very low	118 Å²	118	139.1 Å²	139.1	83%	0.825	82%	0.818	S	S	*	*			trans	170.7	112.7	135.2	42.7	0	0	0	0	109.5
456	R	35.8	Very low	34.2	Very low	248 Å²	248	139.8 Å²	139.8	94%	0.936	82%	0.823	S	S	*	*				82.6	118	64.3	-85	-167.9	170.7	-167.2	-1.4	116.3
457	S	37.3	Very low	34.1	Very low	116 Å²	116	140 Å²	140	81%	0.811	82%	0.824	S	S	*	*			trans	134.3	146.4	141.1	63.4	0	0	0	0	113
458	S	37.1	Very low	34.2	Very low	116 Å²	116	142.6 Å²	142.6	81%	0.811	83%	0.832	S	S	*	*			cis	-172.3	137.8	-21.2	-78.7	0	0	0	0	106.7
459	S	32.7	Very low	34.1	Very low	113 Å²	113	138.9 Å²	138.9	79%	0.79	82%	0.824	S	S	*	*			trans	-76.8	176.6	168.5	-56.8	0	0	0	0	112.4
460	P	38.8	Very low	34.5	Very low	131 Å²	131	135.8 Å²	135.8	85%	0.851	82%	0.819	S	S	*	*				-154.9	168	90.6	37	-15.6	0	0	0	118.5
461	S	29.7	Very low	34.1	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	82%	0.822	S	S	*	*			trans	-73.5	165.6	-179.8	-50.3	0	0	0	0	117.4
462	V	31.8	Very low	34.1	Very low	152 Å²	152	137 Å²	137	92%	0.921	81%	0.813	S	S	*	*			trans	-136.3	140	148.6	178.1	0	0	0	0	110.1
463	R	28.7	Very low	34.3	Very low	217 Å²	217	135.9 Å²	135.9	82%	0.819	81%	0.807	S	S	*	*			trans	-113.1	174.2	-172.1	-82	-178.2	172.3	173.3	-1.9	112.4
464	M	29.6	Very low	34.4	Very low	164 Å²	164	138.3 Å²	138.3	81%	0.808	81%	0.807	S	S	*	*			trans	101.6	139.6	148.8	-51.3	-75.7	-93.8	0	0	113.7
465	I	32.9	Very low	34.6	Very low	152 Å²	152	137.7 Å²	137.7	78%	0.779	80%	0.801	S	S	*	*			cis	-156.2	147.6	35.4	-67.5	170.9	0	0	0	110.2
466	T	26.6	Very low	34.4	Very low	132 Å²	132	138.2 Å²	138.2	81%	0.81	80%	0.799	S	S	*	*			trans	-95	146.2	170.5	48.8	0	0	0	0	113
467	T	33.5	Very low	34.3	Very low	146 Å²	146	137.4 Å²	137.4	90%	0.896	80%	0.796	S	S	*	*			trans	-144.2	152.4	157.3	48.7	0	0	0	0	111.8
468	S	35.6	Very low	34	Very low	119 Å²	119	136 Å²	136	83%	0.832	79%	0.786	S	S	*	*			trans	-124.4	145.2	-146.1	46.4	0	0	0	0	115.4
469	G	33	Very low	33.8	Very low	73 Å²	73	138.7 Å²	138.7	75%	0.753	79%	0.785	S	S	*	*			trans	83.9	170	141.4	0	0	0	0	0	120.6
470	P	39.1	Very low	33.9	Very low	115 Å²	115	138.6 Å²	138.6	75%	0.747	78%	0.782	S	S	*	*			cis	-143.6	178.9	-48.4	36.7	-17.5	0	0	0	115.6
471	T	36	Very low	33.5	Very low	138 Å²	138	144.7 Å²	144.7	85%	0.847	79%	0.788	S	S	*	*			trans	77.8	139.6	159.6	70.3	0	0	0	0	118.2
472	S	35.9	Very low	33.6	Very low	89 Å²	89	145.3 Å²	145.3	62%	0.622	79%	0.787	S	S	*	*			cis	-158.2	151.2	27.3	-152.4	0	0	0	0	113
473	E	36.9	Very low	33.8	Very low	162 Å²	162	144.1 Å²	144.1	76%	0.757	78%	0.783	S	S	*	*			trans	61.8	137.8	150.1	-71	162.8	-125.6	0	0	120.7
474	K	39.5	Very low	33.9	Very low	184 Å²	184	141.2 Å²	141.2	80%	0.8	78%	0.784	S	S	*	*			cis	169.2	167.7	-4	-115.1	-177.9	-179.3	171	0	104.2
475	P	37.6	Very low	34.1	Very low	98 Å²	98	140.1 Å²	140.1	64%	0.636	78%	0.781	S	S	*	*			cis	-135	148.4	-42.9	39.2	-21.1	0	0	0	114.9
476	T	33.5	Very low	34.1	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	78%	0.775	S	S	*	*			trans	45.3	128.5	131.3	67.1	0	0	0	0	121.1
477	R	34.6	Very low	34.5	Very low	231 Å²	231	137.9 Å²	137.9	87%	0.872	78%	0.778	S	S	*	*				-171.2	113.1	61.8	-108.1	173.1	170	170.5	-3.8	107.2
478	S	31.3	Very low	34.3	Very low	86 Å²	86	138 Å²	138	60%	0.601	77%	0.774	S	S	*	*				48.7	109	85.3	70.5	0	0	0	0	116.6
479	H	32.8	Very low	34.2	Very low	173 Å²	173	139 Å²	139	80%	0.801	78%	0.775	S	S	*	*				-172.6	148.9	95.5	-90.6	-68.1	0	0	0	112.7
480	P	34.4	Very low	34	Very low	110 Å²	110	143.5 Å²	143.5	71%	0.714	78%	0.782	S	S	*	*			trans	-93.4	139.4	-176	24.9	-9.2	0	0	0	112.2	T482	P480-T482 PolarHBondContact O-N 3.07Å
481	W	29.6	Very low	33.5	Very low	260 Å²	260	141.2 Å²	141.2	99%	0.985	78%	0.779	S	S	*	*			trans	-77.7	111.2	178	-91	35.8	0	0	0	111.7
482	T	32.9	Very low	33.2	Very low	121 Å²	121	140.3 Å²	140.3	74%	0.742	78%	0.778	S	S	*	*			trans	-82.3	143.3	154.4	45.9	0	0	0	0	109.4	P480	P480-T482 PolarHBondContact O-N 3.07Å
483	P	34.9	Very low	33	Very low	128 Å²	128	142.4 Å²	142.4	83%	0.831	78%	0.782	S	S	*	*			trans	-85.3	116.9	176.8	31.6	-26.7	0	0	0	109.9
484	D	32.3	Very low	32.8	Very low	156 Å²	156	141.8 Å²	141.8	83%	0.834	79%	0.785	S	S	*	*			trans	-151.9	124.7	161.9	-126.8	-8.1	0	0	0	113
485	D	33.6	Very low	32.8	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	76%	0.763	S	S	*	*			trans	39.7	128.6	149.4	-124.3	-6.9	0	0	0	125.6
486	S	32.7	Very low	33.5	Very low	94 Å²	94	133.4 Å²	133.4	66%	0.657	75%	0.747	S	S	*	*			trans	62.4	106.6	142.1	68.4	0	0	0	0	120.7
487	T	34.8	Very low	34.5	Very low	142 Å²	142	129.8 Å²	129.8	87%	0.871	73%	0.725	S	S	*	*				-156.4	131.7	125.1	43.2	0	0	0	0	110.3
488	D	29.2	Very low	35.8	Very low	149 Å²	149	120.2 Å²	120.2	80%	0.797	69%	0.691	S	S	*	*			trans	-60.1	131.6	-173.5	-57.6	-67.4	0	0	0	115.2
489	T	33.9	Very low	37.2	Very low	141 Å²	141	117.4 Å²	117.4	87%	0.865	67%	0.672	S	S	*	*			trans	-132.1	101.7	142.4	44.5	0	0	0	0	108.8	G491	T489-G491 PolarHBondContact O-N 3.29Å
490	N	28.4	Very low	38.8	Very low	167 Å²	167	110.3 Å²	110.3	89%	0.893	64%	0.639	S	S	*	*			trans	-52.3	115.2	167.4	-79.8	-41.4	0	0	0	110.9
491	G	29.6	Very low	40.3	Very low	67 Å²	67	106 Å²	106	69%	0.691	61%	0.61	S	S	*	*			trans	-166.4	97.6	170	0	0	0	0	0	108.3	T489 D493	T489-G491 PolarHBondContact O-N 3.29Å; G491-D493 PolarHBondContact O-N 3.42Å
492	S	27.9	Very low	42.1	Very low	119 Å²	119	95.8 Å²	95.8	83%	0.832	58%	0.576	S	S	*	*			trans	-57	102.4	-176.9	53.8	0	0	0	0	112.4
493	D	32.2	Very low	43.8	Very low	132 Å²	132	90.7 Å²	90.7	71%	0.706	54%	0.544	S	S	*	.			trans	-122.9	70.9	162.9	-149.5	-10.9	0	0	0	108.4	G491 S495	G491-D493 PolarHBondContact O-N 3.42Å; D493-S495 PolarHBondContact O-N 3.48Å; D493-S495 PolarHBondContact OD1-OG 3.4Å; D493-S495 VanDerWaalsContact OD1-OG 3.12Å
494	N	33.6	Very low	45.6	Very low	150 Å²	150	90.3 Å²	90.3	80%	0.802	54%	0.535	S	S	*	.			trans	-78.8	21.6	177.9	-84.5	-0.4	0	0	0	112.5	I496	N494-I496 PolarHBondContact O-N 3.39Å
495	S	40.1	Very low	47.4	Very low	50 Å²	50	90.3 Å²	90.3	35%	0.35	53%	0.53	S	S	.	.			trans	-77.3	91.9	170.9	64.4	0	0	0	0	108.2	D493 P497	D493-S495 PolarHBondContact O-N 3.48Å; D493-S495 PolarHBondContact OD1-OG 3.4Å; D493-S495 VanDerWaalsContact OD1-OG 3.12Å; S495-P497 WeakPolarHBondContact O-CD 3.35Å
496	I	50.9	Low	49.5	Very low	56 Å²	56	92.6 Å²	92.6	29%	0.287	54%	0.536	S	S	.	.			trans	-65.9	115.7	170	-63.3	173.3	0	0	0	106.7	N494 M498 Y500 E524 C527	N494-I496 PolarHBondContact O-N 3.39Å; I496-M498 PolarHBondContact O-N 2.66Å; I496-Y500 HydrophobicContact CG2-CE1 4.31Å; I496-E524 HydrophobicContact CD1-CG 3.92Å; I496-C527 HydrophobicContact CG2-CB 3.34Å
497	P	55.8	Low	51.5	Low	53 Å²	53	91.9 Å²	91.9	34%	0.344	52%	0.524	S	S	.	.			trans	-49.7	117.8	176.5	-23.8	24.1	0	0	0	111	E202 S495 A499 Q531	E202-P497 WeakPolarHBondContact O-CA 3.39Å; S495-P497 WeakPolarHBondContact O-CD 3.35Å; P497-A499 PolarHBondContact O-N 3.12Å; P497-Q531 HydrophobicContact CB-CG 4.32Å; P497-Q531 PolarHBondContact O-NE2 2.94Å
498	M	60.7	Low	53.5	Low	30 Å²	30	86.4 Å²	86.4	15%	0.148	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-70.7	4.2	-175.6	-80.4	-154.3	-63.2	0	0	113.2	I182 M186 I496 Y500 L501	I182-M498 HydrophobicContact CG2-CE 3.37Å; I182-M498 HydrophobicContact CG2-SD 4.16Å; M186-M498 HydrophobicContact CE-CB 3.31Å; M186-M498 WeakPolarHBondContact CE-O 3.48Å; M186-M498 HydrophobicContact CG-CE 4.47Å; I496-M498 PolarHBondContact O-N 2.66Å; M498-Y500 HydrophobicContact CB-CE1 4.44Å; M498-Y500 HydrophobicContact CG-CE1 4.34Å; M498-Y500 PolarHBondContact O-N 2.88Å; M498-L501 HydrophobicContact CB-CD1 4.07Å; M498-L501 HydrophobicContact CG-CD1 4.22Å; M498-L501 WeakPolarHBondContact O-CB 3.05Å; M498-L501 PolarHBondContact O-N 3.44Å; M498-L501 HydrophobicContact SD-CD1 3.55Å; M498-L501 VanDerWaalsContact SD-CD1 3.55Å
499	A	61.6	Low	55.7	Low	26 Å²	26	80 Å²	80	22%	0.215	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-45.6	-28.6	-179.5	0	0	0	0	0	114.1	P497 L501 T502	P497-A499 PolarHBondContact O-N 3.12Å; A499-L501 PolarHBondContact O-N 3.33Å; A499-L501 VanDerWaalsContact O-N 3.16Å; A499-T502 PolarHBondContact O-N 2.95Å; A499-T502 PolarHBondContact O-OG1 3.48Å
500	Y	66.6	Low	57.8	Low	24 Å²	24	80.5 Å²	80.5	9%	0.094	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-55.1	-27.5	173.3	67.5	-101	0	0	0	114.2	I496 M498 T502 L503 P509 C527	I496-Y500 HydrophobicContact CG2-CE1 4.31Å; M498-Y500 HydrophobicContact CB-CE1 4.44Å; M498-Y500 HydrophobicContact CG-CE1 4.34Å; M498-Y500 PolarHBondContact O-N 2.88Å; Y500-T502 PolarHBondContact O-N 3.34Å; Y500-L503 WeakPolarHBondContact O-CB 3.48Å; Y500-L503 VanDerWaalsContact O-CG 3.27Å; Y500-L503 WeakPolarHBondContact O-CG 3.41Å; Y500-L503 PolarHBondContact O-N 2.88Å; Y500-L503 VanDerWaalsContact O-N 3.1Å; Y500-P509 HydrophobicContact CD2-CG 3.84Å; Y500-P509 HydrophobicContact CE2-CG 4.29Å; Y500-P509 HydrophobicContact CG-CG 4.06Å; Y500-C527 HydrophobicContact CD1-CB 4.16Å; Y500-C527 HydrophobicContact CE1-CB 4.35Å; Y500-C527 VanDerWaalsContact CE1-SG 3.59Å
501	L	65.5	Low	60.2	Low	20 Å²	20	76.9 Å²	76.9	11%	0.105	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-72.4	-9.3	178.7	-67	174.9	0	0	0	113.5	M186 M498 A499 Q508	M186-L501 CarbonylContact C-O 3.55Å; M186-L501 HydrophobicContact CB-CB 3.14Å; M186-L501 HydrophobicContact CB-CD1 3.52Å; M186-L501 HydrophobicContact CB-CG 3.93Å; M186-L501 HydrophobicContact CE-CB 4.45Å; M186-L501 HydrophobicContact CG-CB 4.11Å; M186-L501 HydrophobicContact CG-CD1 3.92Å; M498-L501 HydrophobicContact CB-CD1 4.07Å; M498-L501 HydrophobicContact CG-CD1 4.22Å; M498-L501 WeakPolarHBondContact O-CB 3.05Å; M498-L501 PolarHBondContact O-N 3.44Å; M498-L501 HydrophobicContact SD-CD1 3.55Å; M498-L501 VanDerWaalsContact SD-CD1 3.55Å; A499-L501 PolarHBondContact O-N 3.33Å; A499-L501 VanDerWaalsContact O-N 3.16Å; L501-Q508 PolarHBondContact O-NE2 2.89Å
502	T	66.6	Low	62.7	Low	45 Å²	45	75.1 Å²	75.1	28%	0.276	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-88.2	-8.6	170.9	66.9	0	0	0	0	112.9	M186 M240 A499 Y500 M534	M186-T502 HydrophobicContact SD-CG2 4.38Å; M240-T502 HydrophobicContact CE-CG2 4.01Å; M240-T502 HydrophobicContact SD-CG2 3.96Å; A499-T502 PolarHBondContact O-N 2.95Å; A499-T502 PolarHBondContact O-OG1 3.48Å; Y500-T502 PolarHBondContact O-N 3.34Å; T502-M534 WeakPolarHBondContact OG1-CE 3.19Å
503	L	69.7	Low	65.2	Low	15 Å²	15	73.1 Å²	73.1	8%	0.079	41%	0.407	C	S	.	.	S	Bend	trans	-66.7	155.9	171.8	-61.5	176.1	0	0	0	110.5	Y500 H505 L507 Q508 A530 Y533 M534	Y500-L503 WeakPolarHBondContact O-CB 3.48Å; Y500-L503 VanDerWaalsContact O-CG 3.27Å; Y500-L503 WeakPolarHBondContact O-CG 3.41Å; Y500-L503 PolarHBondContact O-N 2.88Å; Y500-L503 VanDerWaalsContact O-N 3.1Å; L503-H505 PolarHBondContact O-N 2.86Å; L503-L507 HydrophobicContact CB-CB 3.99Å; L503-L507 HydrophobicContact CD1-CB 4.22Å; L503-Q508 HydrophobicContact CB-CG 4.21Å; L503-Q508 PolarHBondContact O-NE2 2.79Å; L503-A530 HydrophobicContact CD1-CB 3.54Å; L503-Y533 HydrophobicContact CD2-CD1 3.4Å; L503-Y533 VanDerWaalsContact CD2-CD1 3.4Å; L503-Y533 HydrophobicContact CD2-CE1 3.47Å; L503-Y533 VanDerWaalsContact CD2-CE1 3.47Å; L503-M534 HydrophobicContact CD2-CE 3.46Å; L503-M534 VanDerWaalsContact CD2-CE 3.46Å; L503-M534 HydrophobicContact CG-CE 4.02Å
504	D	71.2	Confident	67.4	Low	119 Å²	119	72.2 Å²	72.2	64%	0.636	41%	0.408	S	S	*	.			trans	-52.1	143.1	167.3	-82.9	-40.8	0	0	0	110.2	Q506 L507 Q508	D504-Q506 PolarHBondContact O-N 3.44Å; D504-L507 WeakPolarHBondContact O-CA 3.33Å; D504-L507 WeakPolarHBondContact O-CB 3.43Å; D504-L507 PolarHBondContact O-N 3.32Å; D504-Q508 PolarHBondContact O-N 3.4Å
505	H	69.9	Low	69.8	Low	156 Å²	156	73 Å²	73	72%	0.722	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-52.5	-32.5	-171.9	-176.2	61.3	0	0	0	113.5	L503 L507 Q508	L503-H505 PolarHBondContact O-N 2.86Å; H505-L507 VanDerWaalsContact C-N 3.29Å; H505-L507 PolarHBondContact O-N 2.94Å; H505-Q508 PolarHBondContact O-N 2.95Å
506	Q	78.2	Confident	72	Confident	190 Å²	190	72.3 Å²	72.3	89%	0.888	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-70.5	-21.3	178	-60.1	-173.8	10.8	0	0	114.1	D504	D504-Q506 PolarHBondContact O-N 3.44Å
507	L	76.1	Confident	73.7	Confident	79 Å²	79	78.1 Å²	78.1	41%	0.414	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-98.5	-2.6	179.4	-62.8	177.4	0	0	0	112.5	L503 D504 H505 H526	L503-L507 HydrophobicContact CB-CB 3.99Å; L503-L507 HydrophobicContact CD1-CB 4.22Å; D504-L507 WeakPolarHBondContact O-CA 3.33Å; D504-L507 WeakPolarHBondContact O-CB 3.43Å; D504-L507 PolarHBondContact O-N 3.32Å; H505-L507 VanDerWaalsContact C-N 3.29Å; H505-L507 PolarHBondContact O-N 2.94Å; L507-H526 PolarHBondContact O-NE2 3.25Å
508	Q	75.7	Confident	75.2	Confident	26 Å²	26	82 Å²	82	12%	0.121	44%	0.444	C	S	.	.	S	Bend	trans	-77.8	142.4	179.6	-63.8	-173.2	0.1	0	0	111	T187 L501 L503 D504 H505 L510	T187-Q508 VanDerWaalsContact CG2-OE1 3.3Å; L501-Q508 PolarHBondContact O-NE2 2.89Å; L503-Q508 HydrophobicContact CB-CG 4.21Å; L503-Q508 PolarHBondContact O-NE2 2.79Å; D504-Q508 PolarHBondContact O-N 3.4Å; H505-Q508 PolarHBondContact O-N 2.95Å; Q508-L510 PolarHBondContact O-N 2.83Å
509	P	75.7	Confident	76.2	Confident	14 Å²	14	82.1 Å²	82.1	9%	0.091	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-56.8	129.4	169.2	-21.5	32.3	0	0	0	112	Y500 F523 H526	Y500-P509 HydrophobicContact CD2-CG 3.84Å; Y500-P509 HydrophobicContact CE2-CG 4.29Å; Y500-P509 HydrophobicContact CG-CG 4.06Å; P509-F523 HydrophobicContact CB-CD2 3.55Å; P509-F523 HydrophobicContact CB-CE2 3.6Å; P509-H526 WeakPolarHBondContact CA-ND1 3.46Å; P509-H526 HydrophobicContact CB-CB 4.03Å; P509-H526 HydrophobicContact CG-CB 4.03Å
510	L	77.7	Confident	77.3	Confident	153 Å²	153	84 Å²	84	80%	0.801	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-65	139.6	169.8	-65.5	174.1	0	0	0	109.6	Q508 F523	Q508-L510 PolarHBondContact O-N 2.83Å; L510-F523 WeakPolarHBondContact O-CD2 3.46Å
511	A	79.7	Confident	78.2	Confident	90 Å²	90	85.4 Å²	85.4	74%	0.744	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-54.4	132	178	0	0	0	0	0	110.9
512	P	82.3	Confident	79.1	Confident	31 Å²	31	89 Å²	89	20%	0.201	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-71.8	148.9	-177.5	28.8	-31.8	0	0	0	110.8	P514 S519 M520 F523	P512-P514 VanDerWaalsContact O-CD 3.28Å; P512-P514 WeakPolarHBondContact O-CD 3.44Å; P512-S519 WeakPolarHBondContact CA-OG 3.33Å; P512-M520 HydrophobicContact CB-CG 4.4Å; P512-M520 HydrophobicContact CB-SD 3.61Å; P512-M520 HydrophobicContact CG-SD 3.61Å; P512-F523 HydrophobicContact CB-CB 3.72Å; P512-F523 HydrophobicContact CB-CD1 4.41Å; P512-F523 HydrophobicContact CB-CG 4.03Å; P512-F523 HydrophobicContact CG-CB 4.05Å; P512-F523 HydrophobicContact CG-CD1 3.79Å; P512-F523 HydrophobicContact CG-CD2 4.27Å; P512-F523 HydrophobicContact CG-CE1 4.27Å; P512-F523 HydrophobicContact CG-CG 3.78Å
513	C	79.5	Confident	80	Confident	77 Å²	77	88.4 Å²	88.4	52%	0.52	49%	0.486	S	S	.	.			trans	-71.9	114.9	164.2	-67.7	0	0	0	0	108.9	N515 S516 S519	C513-N515 PolarHBondContact O-N 3.35Å; C513-S516 PolarHBondContact O-N 2.94Å; C513-S519 PolarHBondContact N-OG 2.96Å
514	P	78	Confident	80.6	Confident	112 Å²	112	91.4 Å²	91.4	73%	0.727	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.2	-173.3	-24.1	33.8	0	0	0	113.8	P512	P512-P514 VanDerWaalsContact O-CD 3.28Å; P512-P514 WeakPolarHBondContact O-CD 3.44Å
515	N	84.8	Confident	81.3	Confident	166 Å²	166	92.5 Å²	92.5	89%	0.888	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.5	-175.4	-61.4	-11.5	0	0	0	113.6	C513	C513-N515 PolarHBondContact O-N 3.35Å
516	S	86.6	Confident	81.9	Confident	37 Å²	37	87.8 Å²	87.8	26%	0.259	48%	0.479	S	S	.	.			trans	-114.9	117.5	176	167.3	0	0	0	0	109.9	C513 E518 S519 M520	C513-S516 PolarHBondContact O-N 2.94Å; S516-E518 PolarHBondContact O-N 3.01Å; S516-E518 PolarHBondContact OG-N 2.74Å; S516-E518 PolarHBondContact OG-OE2 3.47Å; S516-S519 PolarHBondContact O-N 3.45Å; S516-S519 PolarHBondContact OG-N 2.66Å; S516-M520 WeakPolarHBondContact O-CG 3.4Å; S516-M520 PolarHBondContact O-N 3.37Å
517	K	86.1	Confident	81.9	Confident	177 Å²	177	78.8 Å²	78.8	77%	0.77	44%	0.437	S	S	*	.	H	α-helix	trans	-61.5	-37	174.9	-71.5	-174.1	177.1	-177.8	0	111.1	M520 A521	K517-M520 PolarHBondContact O-N 3Å; K517-A521 WeakPolarHBondContact O-CB 3.17Å; K517-A521 PolarHBondContact O-N 3.25Å
518	E	86.3	Confident	82.3	Confident	134 Å²	134	81.5 Å²	81.5	63%	0.626	45%	0.445	S	S	*	.	H	α-helix	trans	-64	-45.4	177	-56.4	74.5	-162.2	0	0	110.6	S516 M520 A521 V522	S516-E518 PolarHBondContact O-N 3.01Å; S516-E518 PolarHBondContact OG-N 2.74Å; S516-E518 PolarHBondContact OG-OE2 3.47Å; E518-M520 VanDerWaalsContact C-N 3.35Å; E518-M520 PolarHBondContact O-N 3.33Å; E518-A521 PolarHBondContact O-N 3.26Å; E518-V522 WeakPolarHBondContact O-CG2 3.37Å; E518-V522 PolarHBondContact O-N 3.06Å
519	S	83.6	Confident	82.7	Confident	34 Å²	34	85.9 Å²	85.9	24%	0.238	47%	0.467	C	S	.	.	H	α-helix	trans	-64	-39.9	177.5	-173.6	0	0	0	0	112.4	P512 C513 S516 F523	P512-S519 WeakPolarHBondContact CA-OG 3.33Å; C513-S519 PolarHBondContact N-OG 2.96Å; S516-S519 PolarHBondContact O-N 3.45Å; S516-S519 PolarHBondContact OG-N 2.66Å; S519-F523 WeakPolarHBondContact O-CB 3.44Å; S519-F523 PolarHBondContact O-N 3Å; S519-F523 VanDerWaalsContact O-N 3.09Å
520	M	83.4	Confident	82.8	Confident	66 Å²	66	85.4 Å²	85.4	33%	0.325	47%	0.465	S	S	.	.	H	α-helix	trans	-62.6	-46.6	174.4	-73.5	-66.8	-54.4	0	0	111.3	P512 S516 K517 E518 V522 F523 E524	P512-M520 HydrophobicContact CB-CG 4.4Å; P512-M520 HydrophobicContact CB-SD 3.61Å; P512-M520 HydrophobicContact CG-SD 3.61Å; S516-M520 WeakPolarHBondContact O-CG 3.4Å; S516-M520 PolarHBondContact O-N 3.37Å; K517-M520 PolarHBondContact O-N 3Å; E518-M520 VanDerWaalsContact C-N 3.35Å; E518-M520 PolarHBondContact O-N 3.33Å; M520-V522 PolarHBondContact O-N 2.94Å; M520-F523 PolarHBondContact O-N 3.44Å; M520-E524 WeakPolarHBondContact O-CG 3.36Å; M520-E524 PolarHBondContact O-N 2.89Å
521	A	85.3	Confident	82.6	Confident	53 Å²	53	79.8 Å²	79.8	44%	0.438	43%	0.434	S	S	.	.	H	α-helix	trans	-62.9	-41.2	179.2	0	0	0	0	0	112.6	K517 E518 E524 Q525	K517-A521 WeakPolarHBondContact O-CB 3.17Å; K517-A521 PolarHBondContact O-N 3.25Å; E518-A521 PolarHBondContact O-N 3.26Å; A521-E524 PolarHBondContact O-N 3.1Å; A521-Q525 WeakPolarHBondContact O-CB 3.17Å; A521-Q525 PolarHBondContact O-N 3.46Å
522	V	84.6	Confident	82.7	Confident	95 Å²	95	80.1 Å²	80.1	58%	0.576	42%	0.421	S	S	*	.	H	α-helix	trans	-63	-42.9	175.5	171	0	0	0	0	111.1	E518 M520 Q525 H526	E518-V522 WeakPolarHBondContact O-CG2 3.37Å; E518-V522 PolarHBondContact O-N 3.06Å; M520-V522 PolarHBondContact O-N 2.94Å; V522-Q525 PolarHBondContact O-N 3.29Å; V522-H526 WeakPolarHBondContact O-CB 3.45Å; V522-H526 PolarHBondContact O-N 3.23Å
523	F	85.9	Confident	82.7	Confident	32 Å²	32	83.5 Å²	83.5	14%	0.14	43%	0.43	C	S	.	.	H	α-helix	trans	-62.7	-45.4	176.5	175.1	-102	0	0	0	112	P509 L510 P512 S519 M520 Q525 H526 C527	P509-F523 HydrophobicContact CB-CD2 3.55Å; P509-F523 HydrophobicContact CB-CE2 3.6Å; L510-F523 WeakPolarHBondContact O-CD2 3.46Å; P512-F523 HydrophobicContact CB-CB 3.72Å; P512-F523 HydrophobicContact CB-CD1 4.41Å; P512-F523 HydrophobicContact CB-CG 4.03Å; P512-F523 HydrophobicContact CG-CB 4.05Å; P512-F523 HydrophobicContact CG-CD1 3.79Å; P512-F523 HydrophobicContact CG-CD2 4.27Å; P512-F523 HydrophobicContact CG-CE1 4.27Å; P512-F523 HydrophobicContact CG-CG 3.78Å; S519-F523 WeakPolarHBondContact O-CB 3.44Å; S519-F523 PolarHBondContact O-N 3Å; S519-F523 VanDerWaalsContact O-N 3.09Å; M520-F523 PolarHBondContact O-N 3.44Å; F523-Q525 VanDerWaalsContact C-N 3.34Å; F523-Q525 PolarHBondContact O-N 3.09Å; F523-H526 PolarHBondContact O-N 2.8Å; F523-C527 PolarHBondContact O-N 2.94Å; F523-C527 PolarHBondContact O-SG 3.45Å
524	E	82	Confident	82.3	Confident	79 Å²	79	80.8 Å²	80.8	37%	0.369	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-43.4	176.3	-73.7	-179.9	-171.6	0	0	112	I496 M520 A521 C527 K528	I496-E524 HydrophobicContact CD1-CG 3.92Å; M520-E524 WeakPolarHBondContact O-CG 3.36Å; M520-E524 PolarHBondContact O-N 2.89Å; A521-E524 PolarHBondContact O-N 3.1Å; E524-C527 PolarHBondContact O-N 3.24Å; E524-K528 WeakPolarHBondContact O-CG 3.42Å; E524-K528 PolarHBondContact O-N 3.17Å
525	Q	85.5	Confident	82.3	Confident	142 Å²	142	80.5 Å²	80.5	66%	0.664	40%	0.397	S	S	*	.	H	α-helix	trans	-64.1	-41.6	176.6	-173.6	173.3	2.4	0	0	111.9	A521 V522 F523 K528 M529	A521-Q525 WeakPolarHBondContact O-CB 3.17Å; A521-Q525 PolarHBondContact O-N 3.46Å; V522-Q525 PolarHBondContact O-N 3.29Å; F523-Q525 VanDerWaalsContact C-N 3.34Å; F523-Q525 PolarHBondContact O-N 3.09Å; Q525-K528 PolarHBondContact O-N 3.31Å; Q525-M529 PolarHBondContact O-N 2.81Å
526	H	83.4	Confident	82.1	Confident	57 Å²	57	76 Å²	76	26%	0.264	38%	0.376	S	S	.	.	H	α-helix	trans	-66.7	-39.4	177.3	-163.9	175.9	0	0	0	111.2	L507 P509 V522 F523 K528 M529 A530	L507-H526 PolarHBondContact O-NE2 3.25Å; P509-H526 WeakPolarHBondContact CA-ND1 3.46Å; P509-H526 HydrophobicContact CB-CB 4.03Å; P509-H526 HydrophobicContact CG-CB 4.03Å; V522-H526 WeakPolarHBondContact O-CB 3.45Å; V522-H526 PolarHBondContact O-N 3.23Å; F523-H526 PolarHBondContact O-N 2.8Å; H526-K528 VanDerWaalsContact C-N 3.34Å; H526-K528 PolarHBondContact O-N 3.23Å; H526-M529 PolarHBondContact O-N 3.46Å; H526-A530 VanDerWaalsContact O-CB 3.31Å; H526-A530 WeakPolarHBondContact O-CB 3.42Å; H526-A530 PolarHBondContact O-N 3.04Å
527	C	78.8	Confident	81.7	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-60.1	-43.1	173.1	-66.5	0	0	0	0	112.3	I496 Y500 F523 E524 A530 Q531	I496-C527 HydrophobicContact CG2-CB 3.34Å; Y500-C527 HydrophobicContact CD1-CB 4.16Å; Y500-C527 HydrophobicContact CE1-CB 4.35Å; Y500-C527 VanDerWaalsContact CE1-SG 3.59Å; F523-C527 PolarHBondContact O-N 2.94Å; F523-C527 PolarHBondContact O-SG 3.45Å; E524-C527 PolarHBondContact O-N 3.24Å; C527-A530 PolarHBondContact O-N 3.22Å; C527-Q531 WeakPolarHBondContact O-CG 3.43Å; C527-Q531 PolarHBondContact O-N 3.33Å
528	K	82.7	Confident	81	Confident	136 Å²	136	69.1 Å²	69.1	59%	0.591	34%	0.342	S	S	*	.	H	α-helix	trans	-61.4	-45.2	174.5	-72.6	176	-177.8	176.4	0	111.4	E524 Q525 H526 A530 Q531 E532	E524-K528 WeakPolarHBondContact O-CG 3.42Å; E524-K528 PolarHBondContact O-N 3.17Å; Q525-K528 PolarHBondContact O-N 3.31Å; H526-K528 VanDerWaalsContact C-N 3.34Å; H526-K528 PolarHBondContact O-N 3.23Å; K528-A530 VanDerWaalsContact C-N 3.35Å; K528-A530 PolarHBondContact O-N 3.31Å; K528-Q531 WeakPolarHBondContact O-CB 3.22Å; K528-Q531 PolarHBondContact O-N 2.99Å; K528-E532 PolarHBondContact O-N 3.21Å
529	M	84.1	Confident	80.8	Confident	118 Å²	118	68.5 Å²	68.5	58%	0.581	34%	0.34	S	S	*	.	H	α-helix	trans	-64.3	-38.8	177.9	-173.4	172.5	63.7	0	0	112.4	Q525 H526 Q531 E532 Y533	Q525-M529 PolarHBondContact O-N 2.81Å; H526-M529 PolarHBondContact O-N 3.46Å; M529-Q531 VanDerWaalsContact C-N 3.32Å; M529-Q531 PolarHBondContact O-N 3.15Å; M529-E532 PolarHBondContact O-N 3.26Å; M529-Y533 WeakPolarHBondContact O-CB 3.35Å; M529-Y533 PolarHBondContact O-N 3.06Å
530	A	79.1	Confident	80.8	Confident	4 Å²	4	70.5 Å²	70.5	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-36.5	175.4	0	0	0	0	0	112.3	L503 H526 C527 K528 M534	L503-A530 HydrophobicContact CD1-CB 3.54Å; H526-A530 VanDerWaalsContact O-CB 3.31Å; H526-A530 WeakPolarHBondContact O-CB 3.42Å; H526-A530 PolarHBondContact O-N 3.04Å; C527-A530 PolarHBondContact O-N 3.22Å; K528-A530 VanDerWaalsContact C-N 3.35Å; K528-A530 PolarHBondContact O-N 3.31Å; A530-M534 WeakPolarHBondContact O-CB 3.32Å; A530-M534 PolarHBondContact O-N 2.99Å
531	Q	74.1	Confident	80.5	Confident	35 Å²	35	68.3 Å²	68.3	16%	0.164	34%	0.339	C	S	.	.	H	α-helix	trans	-66.2	-45.4	172.9	-72.2	163.5	16.2	0	0	111.8	P497 C527 K528 M529 Y533 M534 K535	P497-Q531 HydrophobicContact CB-CG 4.32Å; P497-Q531 PolarHBondContact O-NE2 2.94Å; C527-Q531 WeakPolarHBondContact O-CG 3.43Å; C527-Q531 PolarHBondContact O-N 3.33Å; K528-Q531 WeakPolarHBondContact O-CB 3.22Å; K528-Q531 PolarHBondContact O-N 2.99Å; M529-Q531 VanDerWaalsContact C-N 3.32Å; M529-Q531 PolarHBondContact O-N 3.15Å; Q531-Y533 VanDerWaalsContact C-N 3.35Å; Q531-M534 PolarHBondContact O-N 2.89Å; Q531-K535 WeakPolarHBondContact O-CG 3.23Å; Q531-K535 PolarHBondContact O-N 3.15Å
532	E	81.4	Confident	80.1	Confident	98 Å²	98	69.6 Å²	69.6	46%	0.458	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-42.4	175.2	-68.6	-54.4	124.7	0	0	111.6	K528 M529 M534 K535 V536	K528-E532 PolarHBondContact O-N 3.21Å; M529-E532 PolarHBondContact O-N 3.26Å; E532-M534 VanDerWaalsContact C-N 3.31Å; E532-M534 PolarHBondContact O-N 3.35Å; E532-K535 WeakPolarHBondContact O-CB 3.39Å; E532-K535 PolarHBondContact O-N 2.98Å; E532-K535 IonicContact OE1-NZ 3.93Å; E532-K535 PolarHBondContact OE1-NZ 2.89Å; E532-V536 WeakPolarHBondContact O-CG2 3.5Å; E532-V536 PolarHBondContact O-N 3.03Å
533	Y	81	Confident	80.2	Confident	101 Å²	101	70.3 Å²	70.3	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-57.4	-45	173.2	176.5	-90.1	0	0	0	111.6	L503 M529 Q531 K535 V536 Q537	L503-Y533 HydrophobicContact CD2-CD1 3.4Å; L503-Y533 VanDerWaalsContact CD2-CD1 3.4Å; L503-Y533 HydrophobicContact CD2-CE1 3.47Å; L503-Y533 VanDerWaalsContact CD2-CE1 3.47Å; M529-Y533 WeakPolarHBondContact O-CB 3.35Å; M529-Y533 PolarHBondContact O-N 3.06Å; Q531-Y533 VanDerWaalsContact C-N 3.35Å; Y533-K535 PolarHBondContact O-N 2.67Å; Y533-V536 PolarHBondContact O-N 3.44Å; Y533-Q537 HydrophobicContact CD1-CG 3.88Å; Y533-Q537 HydrophobicContact CD2-CG 4.48Å; Y533-Q537 HydrophobicContact CE1-CG 3.45Å; Y533-Q537 VanDerWaalsContact CE1-CG 3.45Å; Y533-Q537 HydrophobicContact CE2-CG 4.08Å; Y533-Q537 HydrophobicContact CG-CG 4.4Å; Y533-Q537 WeakPolarHBondContact O-CB 3.27Å; Y533-Q537 WeakPolarHBondContact O-CG 3.37Å; Y533-Q537 PolarHBondContact O-N 3.03Å; Y533-Q537 PolarHBondContact OH-NE2 3.5Å
534	M	72.8	Confident	80.2	Confident	21 Å²	21	72.9 Å²	72.9	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-64.6	-39.6	178.6	-164.4	62.9	65.6	0	0	112.2	F237 T502 L503 A530 Q531 E532 T538	F237-M534 HydrophobicContact CB-SD 3.69Å; F237-M534 HydrophobicContact CD1-SD 4.11Å; F237-M534 HydrophobicContact CD2-SD 4.14Å; F237-M534 HydrophobicContact CG-SD 3.74Å; T502-M534 WeakPolarHBondContact OG1-CE 3.19Å; L503-M534 HydrophobicContact CD2-CE 3.46Å; L503-M534 VanDerWaalsContact CD2-CE 3.46Å; L503-M534 HydrophobicContact CG-CE 4.02Å; A530-M534 WeakPolarHBondContact O-CB 3.32Å; A530-M534 PolarHBondContact O-N 2.99Å; Q531-M534 PolarHBondContact O-N 2.89Å; E532-M534 VanDerWaalsContact C-N 3.31Å; E532-M534 PolarHBondContact O-N 3.35Å; M534-T538 WeakPolarHBondContact O-CB 3.31Å; M534-T538 PolarHBondContact O-N 3.17Å; M534-T538 PolarHBondContact O-OG1 2.95Å
535	K	76.3	Confident	80.2	Confident	105 Å²	105	72.5 Å²	72.5	46%	0.457	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-49	174.1	-72	174.9	-172.8	169.5	0	111	Q531 E532 Y533 T538 E539	Q531-K535 WeakPolarHBondContact O-CG 3.23Å; Q531-K535 PolarHBondContact O-N 3.15Å; E532-K535 WeakPolarHBondContact O-CB 3.39Å; E532-K535 PolarHBondContact O-N 2.98Å; E532-K535 IonicContact OE1-NZ 3.93Å; E532-K535 PolarHBondContact OE1-NZ 2.89Å; Y533-K535 PolarHBondContact O-N 2.67Å; K535-T538 WeakPolarHBondContact O-CB 3.27Å; K535-T538 PolarHBondContact O-N 3.14Å; K535-E539 PolarHBondContact O-N 3.24Å
536	V	82.1	Confident	80.2	Confident	73 Å²	73	70.9 Å²	70.9	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-44.1	179.1	174	0	0	0	0	111.5	E532 Y533 T538 E539 I540	E532-V536 WeakPolarHBondContact O-CG2 3.5Å; E532-V536 PolarHBondContact O-N 3.03Å; Y533-V536 PolarHBondContact O-N 3.44Å; V536-T538 VanDerWaalsContact C-N 3.29Å; V536-T538 PolarHBondContact O-N 2.95Å; V536-E539 PolarHBondContact O-N 3.21Å; V536-I540 HydrophobicContact CG1-CD1 3.92Å; V536-I540 HydrophobicContact CG1-CG1 4.41Å; V536-I540 VanDerWaalsContact O-CG1 3.31Å; V536-I540 WeakPolarHBondContact O-CG1 3.43Å; V536-I540 PolarHBondContact O-N 3.45Å
537	Q	77.5	Confident	80.6	Confident	62 Å²	62	74.1 Å²	74.1	29%	0.29	35%	0.352	S	S	.	.	H	α-helix	trans	-59.8	-40.4	175.2	-76.9	-66.6	-32.5	0	0	112.1	F237 Y533 I540 A541	F237-Q537 HydrophobicContact CZ-CB 4.43Å; Y533-Q537 HydrophobicContact CD1-CG 3.88Å; Y533-Q537 HydrophobicContact CD2-CG 4.48Å; Y533-Q537 HydrophobicContact CE1-CG 3.45Å; Y533-Q537 VanDerWaalsContact CE1-CG 3.45Å; Y533-Q537 HydrophobicContact CE2-CG 4.08Å; Y533-Q537 HydrophobicContact CG-CG 4.4Å; Y533-Q537 WeakPolarHBondContact O-CB 3.27Å; Y533-Q537 WeakPolarHBondContact O-CG 3.37Å; Y533-Q537 PolarHBondContact O-N 3.03Å; Y533-Q537 PolarHBondContact OH-NE2 3.5Å; Q537-I540 PolarHBondContact O-N 3.26Å; Q537-A541 WeakPolarHBondContact O-CB 3.32Å; Q537-A541 PolarHBondContact O-N 3.03Å
538	T	71.8	Confident	81	Confident	6 Å²	6	80.6 Å²	80.6	4%	0.037	38%	0.383	C	S	.	.	H	α-helix	trans	-65.9	-43.1	176.1	-57.4	0	0	0	0	111.3	W241 M534 K535 V536 A541 L542	W241-T538 HydrophobicContact CB-CG2 4.08Å; W241-T538 HydrophobicContact CD2-CG2 3.72Å; W241-T538 HydrophobicContact CE3-CG2 4.44Å; W241-T538 HydrophobicContact CG-CG2 3.51Å; M534-T538 WeakPolarHBondContact O-CB 3.31Å; M534-T538 PolarHBondContact O-N 3.17Å; M534-T538 PolarHBondContact O-OG1 2.95Å; K535-T538 WeakPolarHBondContact O-CB 3.27Å; K535-T538 PolarHBondContact O-N 3.14Å; V536-T538 VanDerWaalsContact C-N 3.29Å; V536-T538 PolarHBondContact O-N 2.95Å; T538-A541 PolarHBondContact O-N 2.98Å; T538-L542 HydrophobicContact CG2-CD1 4.18Å; T538-L542 VanDerWaalsContact O-CG 3.31Å; T538-L542 WeakPolarHBondContact O-CG 3.32Å; T538-L542 PolarHBondContact O-N 2.95Å
539	E	80.6	Confident	81.2	Confident	121 Å²	121	77.7 Å²	77.7	57%	0.565	37%	0.371	S	S	*	.	H	α-helix	trans	-62.5	-44.7	175.9	-170.7	174.4	-178.1	0	0	111.8	K535 V536 A541 L542 L543	K535-E539 PolarHBondContact O-N 3.24Å; V536-E539 PolarHBondContact O-N 3.21Å; E539-A541 VanDerWaalsContact C-N 3.32Å; E539-A541 PolarHBondContact O-N 3.35Å; E539-L542 PolarHBondContact O-N 2.88Å; E539-L543 HydrophobicContact CG-CD1 4.25Å; E539-L543 WeakPolarHBondContact O-CB 3.42Å; E539-L543 VanDerWaalsContact O-CG 3.3Å; E539-L543 WeakPolarHBondContact O-CG 3.37Å; E539-L543 PolarHBondContact O-N 2.76Å
540	I	84.2	Confident	81.4	Confident	77 Å²	77	75.8 Å²	75.8	40%	0.395	36%	0.363	S	S	.	.	H	α-helix	trans	-57.8	-46	173.4	-69.1	167.7	0	0	0	110.5	V536 Q537 L542 L543 L544	V536-I540 HydrophobicContact CG1-CD1 3.92Å; V536-I540 HydrophobicContact CG1-CG1 4.41Å; V536-I540 VanDerWaalsContact O-CG1 3.31Å; V536-I540 WeakPolarHBondContact O-CG1 3.43Å; V536-I540 PolarHBondContact O-N 3.45Å; Q537-I540 PolarHBondContact O-N 3.26Å; I540-L542 PolarHBondContact O-N 3.49Å; I540-L543 PolarHBondContact O-N 3.08Å; I540-L544 HydrophobicContact CG2-CD1 4.02Å; I540-L544 HydrophobicContact CG2-CG 4.43Å; I540-L544 WeakPolarHBondContact O-CB 3.42Å; I540-L544 WeakPolarHBondContact O-CG 3.42Å; I540-L544 PolarHBondContact O-N 3.4Å
541	A	76.8	Confident	81.9	Confident	20 Å²	20	79.1 Å²	79.1	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-40.8	179.2	0	0	0	0	0	112.2	Q537 T538 E539 L544 Q545	Q537-A541 WeakPolarHBondContact O-CB 3.32Å; Q537-A541 PolarHBondContact O-N 3.03Å; T538-A541 PolarHBondContact O-N 2.98Å; E539-A541 VanDerWaalsContact C-N 3.32Å; E539-A541 PolarHBondContact O-N 3.35Å; A541-L544 PolarHBondContact O-N 3.29Å; A541-Q545 PolarHBondContact O-N 2.88Å
542	L	78.3	Confident	82.6	Confident	79 Å²	79	80.3 Å²	80.3	41%	0.414	40%	0.398	S	S	.	.	H	α-helix	trans	-65.7	-41.5	175.5	-71.7	171.2	0	0	0	111.8	T538 E539 I540 Q545 R546	T538-L542 HydrophobicContact CG2-CD1 4.18Å; T538-L542 VanDerWaalsContact O-CG 3.31Å; T538-L542 WeakPolarHBondContact O-CG 3.32Å; T538-L542 PolarHBondContact O-N 2.95Å; E539-L542 PolarHBondContact O-N 2.88Å; I540-L542 PolarHBondContact O-N 3.49Å; L542-Q545 PolarHBondContact O-N 3.26Å; L542-R546 PolarHBondContact O-N 3.24Å
543	L	86.5	Confident	83	Confident	110 Å²	110	80.1 Å²	80.1	58%	0.576	40%	0.398	S	S	*	.	H	α-helix	trans	-65	-39.7	175.6	-72	171.8	0	0	0	112	E539 I540 R546 K547	E539-L543 HydrophobicContact CG-CD1 4.25Å; E539-L543 WeakPolarHBondContact O-CB 3.42Å; E539-L543 VanDerWaalsContact O-CG 3.3Å; E539-L543 WeakPolarHBondContact O-CG 3.37Å; E539-L543 PolarHBondContact O-N 2.76Å; I540-L543 PolarHBondContact O-N 3.08Å; L543-R546 PolarHBondContact O-N 3.3Å; L543-K547 WeakPolarHBondContact O-CB 3.47Å; L543-K547 PolarHBondContact O-N 3.47Å
544	L	85.2	Confident	83.5	Confident	87 Å²	87	80.9 Å²	80.9	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-64.9	-40.1	174.9	-75.5	173.4	0	0	0	112.1	I540 A541 K547 Q548	I540-L544 HydrophobicContact CG2-CD1 4.02Å; I540-L544 HydrophobicContact CG2-CG 4.43Å; I540-L544 WeakPolarHBondContact O-CB 3.42Å; I540-L544 WeakPolarHBondContact O-CG 3.42Å; I540-L544 PolarHBondContact O-N 3.4Å; A541-L544 PolarHBondContact O-N 3.29Å; L544-K547 WeakPolarHBondContact O-CB 3.45Å; L544-K547 PolarHBondContact O-N 3.34Å; L544-Q548 WeakPolarHBondContact O-CG 3.43Å; L544-Q548 PolarHBondContact O-N 3.46Å; L544-Q548 VanDerWaalsContact O-N 3.08Å
545	Q	82.4	Confident	84.3	Confident	70 Å²	70	84 Å²	84	33%	0.327	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-48.1	172.8	-179.7	-178.2	-18.3	0	0	110.7	A541 L542 K547 Q548 E549	A541-Q545 PolarHBondContact O-N 2.88Å; L542-Q545 PolarHBondContact O-N 3.26Å; Q545-K547 PolarHBondContact O-N 2.84Å; Q545-Q548 WeakPolarHBondContact O-CB 3.45Å; Q545-Q548 PolarHBondContact O-N 2.81Å; Q545-E549 PolarHBondContact NE2-OE1 3Å; Q545-E549 VanDerWaalsContact NE2-OE1 3.14Å; Q545-E549 PolarHBondContact O-N 3.5Å
546	R	86.4	Confident	84.8	Confident	109 Å²	109	83.4 Å²	83.4	41%	0.411	42%	0.424	S	S	.	.	H	α-helix	trans	-61.1	-35.7	178.1	-173.3	61.6	-172.1	145.2	7.8	112.1	L542 L543 E549 L550 E553	L542-R546 PolarHBondContact O-N 3.24Å; L543-R546 PolarHBondContact O-N 3.3Å; R546-E549 WeakPolarHBondContact CD-OE2 3.45Å; R546-E549 IonicContact CZ-OE2 3.45Å; R546-E549 IonicContact NH1-OE2 2.66Å; R546-E549 PolarHBondContact NH1-OE2 3.23Å; R546-E549 PolarHBondContact O-N 2.92Å; R546-L550 HydrophobicContact CG-CD1 4.31Å; R546-L550 WeakPolarHBondContact O-CG 3.34Å; R546-L550 PolarHBondContact O-N 3.45Å; R546-E553 IonicContact CZ-OE1 3.47Å; R546-E553 IonicContact NH1-OE1 3.54Å; R546-E553 PolarHBondContact NH1-OE1 3.12Å; R546-E553 IonicContact NH2-OE1 2.74Å; R546-E553 IonicContact NH2-OE2 3.79Å
547	K	90.1	Very high	85.1	Confident	124 Å²	124	84.9 Å²	84.9	54%	0.539	43%	0.429	S	S	.	.	H	α-helix	trans	-60.5	-44.8	172	-172.6	-167.8	72.7	172.7	0	111.5	L543 L544 Q545 L550 V551	L543-K547 WeakPolarHBondContact O-CB 3.47Å; L543-K547 PolarHBondContact O-N 3.47Å; L544-K547 WeakPolarHBondContact O-CB 3.45Å; L544-K547 PolarHBondContact O-N 3.34Å; Q545-K547 PolarHBondContact O-N 2.84Å; K547-L550 PolarHBondContact O-N 2.89Å; K547-V551 VanDerWaalsContact O-CG2 3.3Å; K547-V551 WeakPolarHBondContact O-CG2 3.4Å; K547-V551 PolarHBondContact O-N 2.93Å
548	Q	87.1	Confident	85.7	Confident	137 Å²	137	87 Å²	87	64%	0.64	44%	0.439	S	S	*	.	H	α-helix	trans	-64.8	-41	178.2	-72.1	174.1	-15.5	0	0	112	L544 Q545 V551 A552	L544-Q548 WeakPolarHBondContact O-CG 3.43Å; L544-Q548 PolarHBondContact O-N 3.46Å; L544-Q548 VanDerWaalsContact O-N 3.08Å; Q545-Q548 WeakPolarHBondContact O-CB 3.45Å; Q545-Q548 PolarHBondContact O-N 2.81Å; Q548-V551 PolarHBondContact O-N 3.45Å; Q548-A552 PolarHBondContact O-N 3.22Å
549	E	87.1	Confident	86.5	Confident	75 Å²	75	92.5 Å²	92.5	35%	0.35	46%	0.463	S	S	.	.	H	α-helix	trans	-60.1	-48.2	174.4	-69.4	169.3	-171.6	0	0	111.6	Q545 R546 V551 A552 E553	Q545-E549 PolarHBondContact NE2-OE1 3Å; Q545-E549 VanDerWaalsContact NE2-OE1 3.14Å; Q545-E549 PolarHBondContact O-N 3.5Å; R546-E549 WeakPolarHBondContact CD-OE2 3.45Å; R546-E549 IonicContact CZ-OE2 3.45Å; R546-E549 IonicContact NH1-OE2 2.66Å; R546-E549 PolarHBondContact NH1-OE2 3.23Å; R546-E549 PolarHBondContact O-N 2.92Å; E549-V551 VanDerWaalsContact C-N 3.32Å; E549-V551 PolarHBondContact O-N 3.43Å; E549-A552 PolarHBondContact O-N 3.4Å; E549-A552 VanDerWaalsContact O-N 3.14Å; E549-E553 WeakPolarHBondContact O-CG 3.26Å; E549-E553 PolarHBondContact O-N 3.47Å
550	L	88.5	Confident	86.9	Confident	77 Å²	77	90.3 Å²	90.3	40%	0.403	46%	0.455	S	S	.	.	H	α-helix	trans	-62.6	-36	177.8	-73.5	170.7	0	0	0	112.9	R546 K547 E553 L554	R546-L550 HydrophobicContact CG-CD1 4.31Å; R546-L550 WeakPolarHBondContact O-CG 3.34Å; R546-L550 PolarHBondContact O-N 3.45Å; K547-L550 PolarHBondContact O-N 2.89Å; L550-E553 PolarHBondContact O-N 2.91Å; L550-L554 WeakPolarHBondContact O-CB 3.34Å; L550-L554 WeakPolarHBondContact O-CG 3.37Å; L550-L554 PolarHBondContact O-N 3.09Å
551	V	90.5	Very high	87.2	Confident	75 Å²	75	93.2 Å²	93.2	46%	0.455	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-42	173.8	169.7	0	0	0	0	110.8	K547 Q548 E549 L554 D555	K547-V551 VanDerWaalsContact O-CG2 3.3Å; K547-V551 WeakPolarHBondContact O-CG2 3.4Å; K547-V551 PolarHBondContact O-N 2.93Å; Q548-V551 PolarHBondContact O-N 3.45Å; E549-V551 VanDerWaalsContact C-N 3.32Å; E549-V551 PolarHBondContact O-N 3.43Å; V551-L554 PolarHBondContact O-N 3.03Å; V551-D555 PolarHBondContact O-N 3.39Å
552	A	88.9	Confident	87.8	Confident	59 Å²	59	97.8 Å²	97.8	49%	0.488	49%	0.485	S	S	.	.	H	α-helix	trans	-67.2	-37.3	176.5	0	0	0	0	0	112.7	Q548 E549 Q556	Q548-A552 PolarHBondContact O-N 3.22Å; E549-A552 PolarHBondContact O-N 3.4Å; E549-A552 VanDerWaalsContact O-N 3.14Å; A552-Q556 PolarHBondContact O-N 3.44Å; A552-Q556 VanDerWaalsContact O-N 3.12Å
553	E	89.5	Confident	88.3	Confident	94 Å²	94	98.2 Å²	98.2	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-45.7	172.3	-72.4	171.9	-156.1	0	0	110.7	R546 E549 L550 Q556 D557	R546-E553 IonicContact CZ-OE1 3.47Å; R546-E553 IonicContact NH1-OE1 3.54Å; R546-E553 PolarHBondContact NH1-OE1 3.12Å; R546-E553 IonicContact NH2-OE1 2.74Å; R546-E553 IonicContact NH2-OE2 3.79Å; E549-E553 WeakPolarHBondContact O-CG 3.26Å; E549-E553 PolarHBondContact O-N 3.47Å; L550-E553 PolarHBondContact O-N 2.91Å; E553-Q556 PolarHBondContact O-N 2.9Å; E553-D557 PolarHBondContact O-N 3.43Å
554	L	90.1	Very high	88.5	Confident	117 Å²	117	96.9 Å²	96.9	61%	0.613	48%	0.484	S	S	*	.	H	α-helix	trans	-62	-43.5	176.4	-75.7	169.2	0	0	0	113.1	L550 V551 Q556 D557 E558	L550-L554 WeakPolarHBondContact O-CB 3.34Å; L550-L554 WeakPolarHBondContact O-CG 3.37Å; L550-L554 PolarHBondContact O-N 3.09Å; V551-L554 PolarHBondContact O-N 3.03Å; L554-Q556 PolarHBondContact O-N 3.39Å; L554-D557 PolarHBondContact O-N 2.86Å; L554-E558 PolarHBondContact O-N 3.47Å
555	D	90	Very high	88.8	Confident	87 Å²	87	95.6 Å²	95.6	47%	0.465	48%	0.482	S	S	.	.	H	α-helix	trans	-61.9	-33.6	175.9	-81	-3.9	0	0	0	111.9	V551 K559	V551-D555 PolarHBondContact O-N 3.39Å; D555-K559 WeakPolarHBondContact O-CG 3.48Å; D555-K559 PolarHBondContact O-N 3.14Å
556	Q	87.7	Confident	89.3	Confident	92 Å²	92	100.7 Å²	100.7	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-74	-43.6	177.3	-172.9	57.5	47.2	0	0	111.4	A552 E553 L554 E558 K559 D560	A552-Q556 PolarHBondContact O-N 3.44Å; A552-Q556 VanDerWaalsContact O-N 3.12Å; E553-Q556 PolarHBondContact O-N 2.9Å; L554-Q556 PolarHBondContact O-N 3.39Å; Q556-E558 VanDerWaalsContact C-N 3.29Å; Q556-E558 PolarHBondContact O-N 3.07Å; Q556-K559 WeakPolarHBondContact O-CB 3.45Å; Q556-K559 PolarHBondContact O-N 3.12Å; Q556-D560 PolarHBondContact NE2-OD1 2.9Å; Q556-D560 VanDerWaalsContact NE2-OD1 3.09Å; Q556-D560 PolarHBondContact O-N 3.1Å
557	D	88.9	Confident	89.6	Confident	105 Å²	105	100 Å²	100	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-60	-38.9	175	-79.5	-9.5	0	0	0	111.8	E553 L554 D560 Q561	E553-D557 PolarHBondContact O-N 3.43Å; L554-D557 PolarHBondContact O-N 2.86Å; D557-D560 PolarHBondContact O-N 3.43Å; D557-Q561 WeakPolarHBondContact O-CB 3.46Å; D557-Q561 PolarHBondContact O-N 2.83Å
558	E	89.1	Confident	89.7	Confident	107 Å²	107	98.6 Å²	98.6	50%	0.5	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-43.7	175.9	-166.2	-174.6	162	0	0	111.5	L554 Q556 D560 Q561 Q562	L554-E558 PolarHBondContact O-N 3.47Å; Q556-E558 VanDerWaalsContact C-N 3.29Å; Q556-E558 PolarHBondContact O-N 3.07Å; E558-D560 VanDerWaalsContact C-N 3.35Å; E558-D560 PolarHBondContact O-N 3.44Å; E558-Q561 PolarHBondContact O-N 3.31Å; E558-Q562 WeakPolarHBondContact O-CG 3.44Å; E558-Q562 PolarHBondContact O-N 3.13Å; E558-Q562 PolarHBondContact OE1-NE2 3.08Å
559	K	88.8	Confident	90	Very high	120 Å²	120	98.9 Å²	98.9	52%	0.522	51%	0.506	S	S	.	.	H	α-helix	trans	-62.5	-41.8	175.1	-72.4	170	-173	164.1	0	111.8	D555 Q556 Q561 Q562 N563	D555-K559 WeakPolarHBondContact O-CG 3.48Å; D555-K559 PolarHBondContact O-N 3.14Å; Q556-K559 WeakPolarHBondContact O-CB 3.45Å; Q556-K559 PolarHBondContact O-N 3.12Å; K559-Q561 VanDerWaalsContact C-N 3.33Å; K559-Q562 PolarHBondContact O-N 3.47Å; K559-N563 WeakPolarHBondContact O-CB 3.3Å; K559-N563 PolarHBondContact O-N 2.92Å
560	D	89.5	Confident	90.3	Very high	75 Å²	75	100.2 Å²	100.2	40%	0.401	51%	0.512	S	S	.	.	H	α-helix	trans	-67.3	-36.2	179	-71.5	-9.8	0	0	0	111.3	Q556 D557 E558 N563 T564	Q556-D560 PolarHBondContact NE2-OD1 2.9Å; Q556-D560 VanDerWaalsContact NE2-OD1 3.09Å; Q556-D560 PolarHBondContact O-N 3.1Å; D557-D560 PolarHBondContact O-N 3.43Å; E558-D560 VanDerWaalsContact C-N 3.35Å; E558-D560 PolarHBondContact O-N 3.44Å; D560-N563 PolarHBondContact O-N 2.69Å; D560-T564 WeakPolarHBondContact O-CB 3.28Å; D560-T564 PolarHBondContact O-N 2.85Å; D560-T564 PolarHBondContact O-OG1 3.26Å
561	Q	89.2	Confident	90.6	Very high	139 Å²	139	102.1 Å²	102.1	65%	0.65	52%	0.518	S	S	*	.	H	α-helix	trans	-68.1	-40.3	173.7	-166.9	172.5	26	0	0	112.4	D557 E558 K559 T564 S565	D557-Q561 WeakPolarHBondContact O-CB 3.46Å; D557-Q561 PolarHBondContact O-N 2.83Å; E558-Q561 PolarHBondContact O-N 3.31Å; K559-Q561 VanDerWaalsContact C-N 3.33Å; Q561-T564 PolarHBondContact O-N 3.18Å; Q561-S565 WeakPolarHBondContact O-CB 3.44Å; Q561-S565 PolarHBondContact O-N 3.26Å; Q561-S565 PolarHBondContact O-OG 3.19Å
562	Q	89.4	Confident	90.8	Very high	116 Å²	116	105.1 Å²	105.1	54%	0.542	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-44	173	-72.2	177.4	14	0	0	111.3	E558 K559 S565 R566	E558-Q562 WeakPolarHBondContact O-CG 3.44Å; E558-Q562 PolarHBondContact O-N 3.13Å; E558-Q562 PolarHBondContact OE1-NE2 3.08Å; K559-Q562 PolarHBondContact O-N 3.47Å; Q562-S565 PolarHBondContact O-N 2.95Å; Q562-R566 PolarHBondContact O-N 3.39Å
563	N	90.2	Very high	91.1	Very high	87 Å²	87	108.5 Å²	108.5	47%	0.465	53%	0.529	S	S	.	.	H	α-helix	trans	-64.6	-42.9	177.3	-167.3	32.6	0	0	0	111.8	K559 D560 S565 R566 L567	K559-N563 WeakPolarHBondContact O-CB 3.3Å; K559-N563 PolarHBondContact O-N 2.92Å; D560-N563 PolarHBondContact O-N 2.69Å; N563-S565 VanDerWaalsContact C-N 3.34Å; N563-S565 PolarHBondContact O-N 3.12Å; N563-R566 WeakPolarHBondContact O-CB 3.4Å; N563-R566 PolarHBondContact O-N 2.92Å; N563-L567 WeakPolarHBondContact O-CG 3.48Å; N563-L567 PolarHBondContact O-N 3.43Å
564	T	90.7	Very high	91.4	Very high	82 Å²	82	108.6 Å²	108.6	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-60.2	-43.5	174.6	-59.8	0	0	0	0	111.4	D560 Q561 R566 L567 V568	D560-T564 WeakPolarHBondContact O-CB 3.28Å; D560-T564 PolarHBondContact O-N 2.85Å; D560-T564 PolarHBondContact O-OG1 3.26Å; Q561-T564 PolarHBondContact O-N 3.18Å; T564-R566 VanDerWaalsContact C-N 3.34Å; T564-R566 PolarHBondContact O-N 2.99Å; T564-L567 PolarHBondContact O-N 3.46Å; T564-V568 WeakPolarHBondContact O-CG2 3.38Å; T564-V568 PolarHBondContact O-N 3.17Å
565	S	91	Very high	91.6	Very high	61 Å²	61	107.5 Å²	107.5	43%	0.427	53%	0.526	S	S	.	.	H	α-helix	trans	-62.5	-39.9	176.9	-61	0	0	0	0	112.2	Q561 Q562 N563 V568 Q569	Q561-S565 WeakPolarHBondContact O-CB 3.44Å; Q561-S565 PolarHBondContact O-N 3.26Å; Q561-S565 PolarHBondContact O-OG 3.19Å; Q562-S565 PolarHBondContact O-N 2.95Å; N563-S565 VanDerWaalsContact C-N 3.34Å; N563-S565 PolarHBondContact O-N 3.12Å; S565-V568 PolarHBondContact O-N 3.36Å; S565-Q569 WeakPolarHBondContact O-CG 3.47Å; S565-Q569 PolarHBondContact O-N 3.26Å; S565-Q569 VanDerWaalsContact O-N 3.1Å
566	R	93.2	Very high	91.9	Very high	176 Å²	176	107.8 Å²	107.8	66%	0.664	53%	0.528	S	S	*	.	H	α-helix	trans	-63	-46.1	174.2	-176.4	-179.4	176	175.8	-0.6	111.8	Q562 N563 T564 V568 Q569 E570	Q562-R566 PolarHBondContact O-N 3.39Å; N563-R566 WeakPolarHBondContact O-CB 3.4Å; N563-R566 PolarHBondContact O-N 2.92Å; T564-R566 VanDerWaalsContact C-N 3.34Å; T564-R566 PolarHBondContact O-N 2.99Å; R566-V568 VanDerWaalsContact C-N 3.34Å; R566-V568 PolarHBondContact O-N 3.37Å; R566-Q569 PolarHBondContact O-N 3.46Å; R566-E570 PolarHBondContact O-N 2.87Å
567	L	91.4	Very high	92.2	Very high	95 Å²	95	107.5 Å²	107.5	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-62.5	-39.2	177.4	-73.5	170.1	0	0	0	112.2	N563 T564 E570 H571	N563-L567 WeakPolarHBondContact O-CG 3.48Å; N563-L567 PolarHBondContact O-N 3.43Å; T564-L567 PolarHBondContact O-N 3.46Å; L567-E570 PolarHBondContact O-N 2.85Å; L567-H571 WeakPolarHBondContact O-CB 3.49Å; L567-H571 PolarHBondContact O-N 2.81Å
568	V	93.6	Very high	92.5	Very high	94 Å²	94	107.5 Å²	107.5	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-64.2	-40.7	175.5	170.9	0	0	0	0	111.5	T564 S565 R566 K572	T564-V568 WeakPolarHBondContact O-CG2 3.38Å; T564-V568 PolarHBondContact O-N 3.17Å; S565-V568 PolarHBondContact O-N 3.36Å; R566-V568 VanDerWaalsContact C-N 3.34Å; R566-V568 PolarHBondContact O-N 3.37Å; V568-K572 PolarHBondContact O-N 3.03Å
569	Q	93.3	Very high	92.8	Very high	144 Å²	144	109.5 Å²	109.5	67%	0.673	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-42.3	175.1	-73	177.8	3.2	0	0	112.1	S565 R566 K572 K573	S565-Q569 WeakPolarHBondContact O-CG 3.47Å; S565-Q569 PolarHBondContact O-N 3.26Å; S565-Q569 VanDerWaalsContact O-N 3.1Å; R566-Q569 PolarHBondContact O-N 3.46Å; Q569-K572 PolarHBondContact O-N 3.34Å; Q569-K573 PolarHBondContact O-N 2.76Å
570	E	93.3	Very high	93.1	Very high	102 Å²	102	107.5 Å²	107.5	48%	0.477	54%	0.535	S	S	.	.	H	α-helix	trans	-64.3	-43.7	176.7	-172.3	170.3	-172	0	0	111.7	R566 L567 K572 K573 L574	R566-E570 PolarHBondContact O-N 2.87Å; L567-E570 PolarHBondContact O-N 2.85Å; E570-K572 VanDerWaalsContact C-N 3.33Å; E570-K572 PolarHBondContact O-N 2.95Å; E570-K573 WeakPolarHBondContact O-CB 3.27Å; E570-K573 PolarHBondContact O-N 3.17Å; E570-L574 HydrophobicContact CG-CD1 4.43Å; E570-L574 WeakPolarHBondContact O-CG 3.39Å; E570-L574 PolarHBondContact O-N 3.37Å
571	H	93.6	Very high	93.4	Very high	117 Å²	117	109.6 Å²	109.6	54%	0.542	55%	0.545	S	S	.	.	H	α-helix	trans	-59.4	-42.3	174.1	-179.6	-102.4	0	0	0	112	L567 L574 L575	L567-H571 WeakPolarHBondContact O-CB 3.49Å; L567-H571 PolarHBondContact O-N 2.81Å; H571-L574 PolarHBondContact O-N 3.39Å; H571-L575 WeakPolarHBondContact O-CG 3.46Å; H571-L575 PolarHBondContact O-N 3.2Å
572	K	95.5	Very high	93.6	Very high	138 Å²	138	105.4 Å²	105.4	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-61.3	-44.4	174.9	-174.5	178.7	178.7	179.9	0	111.6	V568 Q569 E570 L574 L575 D576	V568-K572 PolarHBondContact O-N 3.03Å; Q569-K572 PolarHBondContact O-N 3.34Å; E570-K572 VanDerWaalsContact C-N 3.33Å; E570-K572 PolarHBondContact O-N 2.95Å; K572-L574 PolarHBondContact O-N 3.49Å; K572-L575 PolarHBondContact O-N 3.43Å; K572-D576 PolarHBondContact O-N 2.76Å; K572-D576 VanDerWaalsContact O-N 3.08Å
573	K	95.3	Very high	93.9	Very high	131 Å²	131	103.7 Å²	103.7	57%	0.57	53%	0.529	S	S	*	.	H	α-helix	trans	-60.7	-44.4	176.7	-171.1	-172.3	178.5	-156.3	0	111.7	Q569 E570 L575 D576 E577	Q569-K573 PolarHBondContact O-N 2.76Å; E570-K573 WeakPolarHBondContact O-CB 3.27Å; E570-K573 PolarHBondContact O-N 3.17Å; K573-L575 VanDerWaalsContact C-N 3.33Å; K573-L575 PolarHBondContact O-N 2.98Å; K573-D576 PolarHBondContact O-N 3.3Å; K573-E577 WeakPolarHBondContact CE-OE1 3.29Å; K573-E577 IonicContact NZ-OE1 2.7Å; K573-E577 WeakPolarHBondContact O-CG 3.32Å; K573-E577 PolarHBondContact O-N 3.39Å
574	L	94.8	Very high	94.1	Very high	95 Å²	95	106.8 Å²	106.8	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-63.6	-36.7	177.1	-72.4	171.9	0	0	0	112.5	E570 H571 K572 E577 N578	E570-L574 HydrophobicContact CG-CD1 4.43Å; E570-L574 WeakPolarHBondContact O-CG 3.39Å; E570-L574 PolarHBondContact O-N 3.37Å; H571-L574 PolarHBondContact O-N 3.39Å; K572-L574 PolarHBondContact O-N 3.49Å; L574-E577 PolarHBondContact O-N 3.33Å; L574-N578 VanDerWaalsContact O-CB 3.26Å; L574-N578 WeakPolarHBondContact O-CB 3.43Å; L574-N578 PolarHBondContact O-N 2.71Å
575	L	94.8	Very high	94.2	Very high	95 Å²	95	110 Å²	110	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-64	-42.4	173.5	-75.1	174.6	0	0	0	112	H571 K572 K573 N578 K579	H571-L575 WeakPolarHBondContact O-CG 3.46Å; H571-L575 PolarHBondContact O-N 3.2Å; K572-L575 PolarHBondContact O-N 3.43Å; K573-L575 VanDerWaalsContact C-N 3.33Å; K573-L575 PolarHBondContact O-N 2.98Å; L575-N578 PolarHBondContact O-N 3.28Å; L575-K579 WeakPolarHBondContact O-CB 3.37Å; L575-K579 PolarHBondContact O-N 3.49Å
576	D	95.6	Very high	94.4	Very high	93 Å²	93	112.2 Å²	112.2	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-66.8	-40.5	177.3	-71.2	-26	0	0	0	111.8	K572 K573 K579 S580	K572-D576 PolarHBondContact O-N 2.76Å; K572-D576 VanDerWaalsContact O-N 3.08Å; K573-D576 PolarHBondContact O-N 3.3Å; D576-K579 PolarHBondContact O-N 3.5Å; D576-S580 WeakPolarHBondContact O-CB 3.32Å; D576-S580 PolarHBondContact O-N 2.83Å; D576-S580 PolarHBondContact O-OG 3.4Å
577	E	95.3	Very high	94.5	Very high	86 Å²	86	109.2 Å²	109.2	40%	0.402	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-44.5	173.3	-74.6	178	-169.6	0	0	111.6	K573 L574 K579 S580 L581	K573-E577 WeakPolarHBondContact CE-OE1 3.29Å; K573-E577 IonicContact NZ-OE1 2.7Å; K573-E577 WeakPolarHBondContact O-CG 3.32Å; K573-E577 PolarHBondContact O-N 3.39Å; L574-E577 PolarHBondContact O-N 3.33Å; E577-K579 PolarHBondContact O-N 2.84Å; E577-S580 WeakPolarHBondContact O-CB 3.3Å; E577-S580 PolarHBondContact O-N 2.68Å; E577-L581 WeakPolarHBondContact O-CB 3.16Å; E577-L581 WeakPolarHBondContact O-CG 3.5Å; E577-L581 PolarHBondContact O-N 2.94Å
578	N	95.3	Very high	94.5	Very high	105 Å²	105	106.7 Å²	106.7	56%	0.561	53%	0.526	S	S	*	.	H	α-helix	trans	-62.9	-43.2	177.4	-169.1	-27.4	0	0	0	111.5	L574 L575 S580 L581 S582	L574-N578 VanDerWaalsContact O-CB 3.26Å; L574-N578 WeakPolarHBondContact O-CB 3.43Å; L574-N578 PolarHBondContact O-N 2.71Å; L575-N578 PolarHBondContact O-N 3.28Å; N578-S580 VanDerWaalsContact C-N 3.3Å; N578-S580 PolarHBondContact O-N 2.91Å; N578-L581 PolarHBondContact O-N 2.97Å; N578-S582 WeakPolarHBondContact O-CB 3.4Å; N578-S582 PolarHBondContact O-N 2.91Å
579	K	95.6	Very high	94.6	Very high	149 Å²	149	107.3 Å²	107.3	65%	0.648	52%	0.521	S	S	*	.	H	α-helix	trans	-60.5	-40.7	174.4	-171.8	178.3	180	-178.2	0	111.9	L575 D576 E577 T583	L575-K579 WeakPolarHBondContact O-CB 3.37Å; L575-K579 PolarHBondContact O-N 3.49Å; D576-K579 PolarHBondContact O-N 3.5Å; E577-K579 PolarHBondContact O-N 2.84Å; K579-T583 PolarHBondContact O-N 3.32Å; K579-T583 PolarHBondContact O-OG1 3.32Å
580	S	95.2	Very high	94.6	Very high	78 Å²	78	107.2 Å²	107.2	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-65.7	-45.9	177.1	-58.5	0	0	0	0	111.7	D576 E577 N578 S582 T583 Y584	D576-S580 WeakPolarHBondContact O-CB 3.32Å; D576-S580 PolarHBondContact O-N 2.83Å; D576-S580 PolarHBondContact O-OG 3.4Å; E577-S580 WeakPolarHBondContact O-CB 3.3Å; E577-S580 PolarHBondContact O-N 2.68Å; N578-S580 VanDerWaalsContact C-N 3.3Å; N578-S580 PolarHBondContact O-N 2.91Å; S580-S582 PolarHBondContact O-N 3.29Å; S580-T583 PolarHBondContact O-N 3.44Å; S580-Y584 PolarHBondContact O-N 3.14Å
581	L	95	Very high	94.6	Very high	118 Å²	118	107.2 Å²	107.2	62%	0.618	52%	0.518	S	S	*	.	H	α-helix	trans	-62.9	-40.7	175.9	-74	170.8	0	0	0	112.3	E577 N578 T583 Y584 Y585	E577-L581 WeakPolarHBondContact O-CB 3.16Å; E577-L581 WeakPolarHBondContact O-CG 3.5Å; E577-L581 PolarHBondContact O-N 2.94Å; N578-L581 PolarHBondContact O-N 2.97Å; L581-T583 VanDerWaalsContact C-N 3.34Å; L581-Y584 PolarHBondContact O-N 2.95Å; L581-Y585 WeakPolarHBondContact O-CB 3.39Å; L581-Y585 PolarHBondContact O-N 3.33Å
582	S	93.7	Very high	94.4	Very high	52 Å²	52	105.7 Å²	105.7	36%	0.364	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-41	176.1	-171	0	0	0	0	111.5	N578 S580 Y585 Q586	N578-S582 WeakPolarHBondContact O-CB 3.4Å; N578-S582 PolarHBondContact O-N 2.91Å; S580-S582 PolarHBondContact O-N 3.29Å; S582-Y585 PolarHBondContact O-N 3.38Å; S582-Q586 WeakPolarHBondContact O-CG 3.05Å; S582-Q586 PolarHBondContact O-N 3.22Å
583	T	95.2	Very high	94.3	Very high	79 Å²	79	104.4 Å²	104.4	49%	0.485	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-45.7	174.7	-53.3	0	0	0	0	111.3	K579 S580 L581 Y585 Q586 Q587	K579-T583 PolarHBondContact O-N 3.32Å; K579-T583 PolarHBondContact O-OG1 3.32Å; S580-T583 PolarHBondContact O-N 3.44Å; L581-T583 VanDerWaalsContact C-N 3.34Å; T583-Y585 PolarHBondContact O-N 3.39Å; T583-Q586 PolarHBondContact O-N 2.89Å; T583-Q587 PolarHBondContact O-N 3.36Å
584	Y	94.7	Very high	94.1	Very high	153 Å²	153	101.7 Å²	101.7	60%	0.6	50%	0.504	S	S	*	.	H	α-helix	trans	-61.3	-43.6	175.9	-176.8	-102.4	0	0	0	112	S580 L581 Q586 Q587 C588	S580-Y584 PolarHBondContact O-N 3.14Å; L581-Y584 PolarHBondContact O-N 2.95Å; Y584-Q586 PolarHBondContact O-N 3.4Å; Y584-Q587 PolarHBondContact O-N 3.45Å; Y584-C588 VanDerWaalsContact CE1-SG 3.58Å; Y584-C588 WeakPolarHBondContact O-CB 3.4Å; Y584-C588 PolarHBondContact O-N 2.97Å; Y584-C588 PolarHBondContact O-SG 3.32Å; Y584-C588 VanDerWaalsContact O-SG 3.39Å
585	Y	93.6	Very high	93.9	Very high	149 Å²	149	101.3 Å²	101.3	58%	0.584	50%	0.502	S	S	*	.	H	α-helix	trans	-59.5	-45.2	175.2	173.2	-99.2	0	0	0	112	L581 S582 T583 Q587 C588 K589	L581-Y585 WeakPolarHBondContact O-CB 3.39Å; L581-Y585 PolarHBondContact O-N 3.33Å; S582-Y585 PolarHBondContact O-N 3.38Å; T583-Y585 PolarHBondContact O-N 3.39Å; Y585-Q587 VanDerWaalsContact C-N 3.32Å; Y585-Q587 PolarHBondContact O-N 3.21Å; Y585-C588 PolarHBondContact O-N 3.3Å; Y585-K589 HydrophobicContact CE1-CD 4.42Å; Y585-K589 WeakPolarHBondContact O-CB 3.38Å; Y585-K589 PolarHBondContact O-N 3.32Å
586	Q	94.5	Very high	93.6	Very high	108 Å²	108	103.9 Å²	103.9	51%	0.505	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-39.2	176.2	-72.1	178.4	14.2	0	0	112.1	S582 T583 Y584 K589 K590	S582-Q586 WeakPolarHBondContact O-CG 3.05Å; S582-Q586 PolarHBondContact O-N 3.22Å; T583-Q586 PolarHBondContact O-N 2.89Å; Y584-Q586 PolarHBondContact O-N 3.4Å; Q586-K589 PolarHBondContact O-N 3.46Å; Q586-K590 WeakPolarHBondContact O-CG 3.39Å; Q586-K590 PolarHBondContact O-N 3.45Å
587	Q	94.5	Very high	93.2	Very high	112 Å²	112	101.8 Å²	101.8	52%	0.523	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-46.1	176.3	-172.4	173.3	-0.3	0	0	111.6	T583 Y584 Y585 K589 K590 Q591	T583-Q587 PolarHBondContact O-N 3.36Å; Y584-Q587 PolarHBondContact O-N 3.45Å; Y585-Q587 VanDerWaalsContact C-N 3.32Å; Y585-Q587 PolarHBondContact O-N 3.21Å; Q587-K589 VanDerWaalsContact C-N 3.32Å; Q587-K589 PolarHBondContact O-N 3.39Å; Q587-K590 PolarHBondContact O-N 2.96Å; Q587-Q591 WeakPolarHBondContact O-CG 3.41Å; Q587-Q591 PolarHBondContact O-N 3.46Å
588	C	93.1	Very high	92.8	Very high	42 Å²	42	103 Å²	103	28%	0.284	50%	0.503	S	S	.	.	H	α-helix	trans	-59.6	-41.3	173.9	-73.3	0	0	0	0	111.8	Y584 Y585 Q591 L592	Y584-C588 VanDerWaalsContact CE1-SG 3.58Å; Y584-C588 WeakPolarHBondContact O-CB 3.4Å; Y584-C588 PolarHBondContact O-N 2.97Å; Y584-C588 PolarHBondContact O-SG 3.32Å; Y584-C588 VanDerWaalsContact O-SG 3.39Å; Y585-C588 PolarHBondContact O-N 3.3Å; C588-Q591 PolarHBondContact O-N 2.88Å; C588-L592 WeakPolarHBondContact O-CB 3.34Å; C588-L592 PolarHBondContact O-N 3.03Å
589	K	94.1	Very high	92.1	Very high	108 Å²	108	103.6 Å²	103.6	47%	0.47	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-43.7	176.9	-170.3	178.7	177.6	-178.2	0	111.9	Y585 Q586 Q587 L592 E593	Y585-K589 HydrophobicContact CE1-CD 4.42Å; Y585-K589 WeakPolarHBondContact O-CB 3.38Å; Y585-K589 PolarHBondContact O-N 3.32Å; Q586-K589 PolarHBondContact O-N 3.46Å; Q587-K589 VanDerWaalsContact C-N 3.32Å; Q587-K589 PolarHBondContact O-N 3.39Å; K589-L592 WeakPolarHBondContact O-CB 3.43Å; K589-L592 PolarHBondContact O-N 3.46Å; K589-E593 PolarHBondContact O-N 3Å
590	K	94.2	Very high	91.3	Very high	141 Å²	141	103.3 Å²	103.3	61%	0.613	50%	0.503	S	S	*	.	H	α-helix	trans	-61.5	-43.9	173.6	-75.3	178.2	-180	179.2	0	111.7	Q586 Q587 L592 E593 V594	Q586-K590 WeakPolarHBondContact O-CG 3.39Å; Q586-K590 PolarHBondContact O-N 3.45Å; Q587-K590 PolarHBondContact O-N 2.96Å; K590-L592 VanDerWaalsContact C-N 3.33Å; K590-L592 PolarHBondContact O-N 3.28Å; K590-E593 PolarHBondContact O-N 2.87Å; K590-V594 WeakPolarHBondContact O-CG2 3.41Å; K590-V594 PolarHBondContact O-N 3.49Å
591	Q	92.5	Very high	90.3	Very high	103 Å²	103	107.3 Å²	107.3	48%	0.481	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-41.5	175.6	-74.4	177.7	-10.3	0	0	111.8	Q587 C588 V594 I595	Q587-Q591 WeakPolarHBondContact O-CG 3.41Å; Q587-Q591 PolarHBondContact O-N 3.46Å; C588-Q591 PolarHBondContact O-N 2.88Å; Q591-V594 PolarHBondContact O-N 2.99Å; Q591-I595 VanDerWaalsContact O-CG1 3.32Å; Q591-I595 WeakPolarHBondContact O-CG1 3.46Å; Q591-I595 PolarHBondContact O-N 3.26Å
592	L	91.2	Very high	89	Confident	84 Å²	84	111.4 Å²	111.4	44%	0.44	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-43.1	176.2	-164.9	92.5	0	0	0	112.1	C588 K589 K590 I595 R596	C588-L592 WeakPolarHBondContact O-CB 3.34Å; C588-L592 PolarHBondContact O-N 3.03Å; K589-L592 WeakPolarHBondContact O-CB 3.43Å; K589-L592 PolarHBondContact O-N 3.46Å; K590-L592 VanDerWaalsContact C-N 3.33Å; K590-L592 PolarHBondContact O-N 3.28Å; L592-I595 PolarHBondContact O-N 3.44Å; L592-R596 WeakPolarHBondContact O-CB 3.35Å; L592-R596 WeakPolarHBondContact O-CG 3.32Å; L592-R596 PolarHBondContact O-N 3.31Å
593	E	92.7	Very high	87.5	Confident	111 Å²	111	116.5 Å²	116.5	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-62.1	-42.2	175.1	-87.9	167.2	-173	0	0	112.1	K589 K590 R596 S597	K589-E593 PolarHBondContact O-N 3Å; K590-E593 PolarHBondContact O-N 2.87Å; E593-R596 PolarHBondContact O-N 3.06Å; E593-S597 WeakPolarHBondContact O-CB 3.46Å; E593-S597 PolarHBondContact O-N 2.91Å; E593-S597 PolarHBondContact O-OG 3.3Å
594	V	91.3	Very high	85.9	Confident	75 Å²	75	115.9 Å²	115.9	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-60.5	-48.5	174.5	172.9	0	0	0	0	110.6	K590 Q591 R596 S597 Q598	K590-V594 WeakPolarHBondContact O-CG2 3.41Å; K590-V594 PolarHBondContact O-N 3.49Å; Q591-V594 PolarHBondContact O-N 2.99Å; V594-R596 PolarHBondContact O-N 3.36Å; V594-S597 PolarHBondContact O-N 2.97Å; V594-S597 PolarHBondContact O-OG 2.99Å; V594-Q598 WeakPolarHBondContact O-CG 3.43Å; V594-Q598 PolarHBondContact O-N 2.75Å
595	I	89.9	Confident	84.1	Confident	87 Å²	87	114.5 Å²	114.5	45%	0.446	55%	0.553	S	S	.	*	H	α-helix	trans	-61	-44.1	178.8	-66.9	165.5	0	0	0	111.1	Q591 L592 S597 Q598 Q599	Q591-I595 VanDerWaalsContact O-CG1 3.32Å; Q591-I595 WeakPolarHBondContact O-CG1 3.46Å; Q591-I595 PolarHBondContact O-N 3.26Å; L592-I595 PolarHBondContact O-N 3.44Å; I595-S597 PolarHBondContact O-N 2.92Å; I595-Q598 PolarHBondContact O-N 3.25Å; I595-Q599 WeakPolarHBondContact O-CG 3.35Å; I595-Q599 PolarHBondContact O-N 3.28Å
596	R	89	Confident	81.9	Confident	148 Å²	148	115.3 Å²	115.3	56%	0.558	58%	0.581	S	S	*	*	H	α-helix	trans	-61.9	-42.9	176.6	-75.8	175.6	175.9	179.9	-1.9	112.2	L592 E593 V594 Q598 Q599 Q600	L592-R596 WeakPolarHBondContact O-CB 3.35Å; L592-R596 WeakPolarHBondContact O-CG 3.32Å; L592-R596 PolarHBondContact O-N 3.31Å; E593-R596 PolarHBondContact O-N 3.06Å; V594-R596 PolarHBondContact O-N 3.36Å; R596-Q598 VanDerWaalsContact C-N 3.33Å; R596-Q598 PolarHBondContact O-N 3.38Å; R596-Q599 PolarHBondContact O-N 3.47Å; R596-Q600 WeakPolarHBondContact O-CG 3.42Å; R596-Q600 PolarHBondContact O-N 3.44Å
597	S	87.1	Confident	81.3	Confident	49 Å²	49	115.7 Å²	115.7	34%	0.343	58%	0.584	S	S	.	*	H	α-helix	trans	-65.7	-35.4	177.8	75.1	0	0	0	0	112.6	E593 V594 I595 K601	E593-S597 WeakPolarHBondContact O-CB 3.46Å; E593-S597 PolarHBondContact O-N 2.91Å; E593-S597 PolarHBondContact O-OG 3.3Å; V594-S597 PolarHBondContact O-N 2.97Å; V594-S597 PolarHBondContact O-OG 2.99Å; I595-S597 PolarHBondContact O-N 2.92Å; S597-K601 WeakPolarHBondContact O-CG 3.5Å; S597-K601 PolarHBondContact O-N 3Å
598	Q	85.7	Confident	80.6	Confident	112 Å²	112	115.9 Å²	115.9	52%	0.523	59%	0.588	S	S	.	*	H	α-helix	trans	-69.9	-37.9	175.2	-71.7	176.2	2.4	0	0	111.9	V594 I595 R596 K601 R602	V594-Q598 WeakPolarHBondContact O-CG 3.43Å; V594-Q598 PolarHBondContact O-N 2.75Å; I595-Q598 PolarHBondContact O-N 3.25Å; R596-Q598 VanDerWaalsContact C-N 3.33Å; R596-Q598 PolarHBondContact O-N 3.38Å; Q598-K601 PolarHBondContact O-N 3.41Å; Q598-R602 WeakPolarHBondContact O-CG 3.47Å; Q598-R602 PolarHBondContact O-N 3.24Å; Q598-R602 VanDerWaalsContact O-N 3.1Å
599	Q	81.6	Confident	79.9	Confident	117 Å²	117	120 Å²	120	55%	0.547	61%	0.605	S	S	.	*	H	α-helix	trans	-65.9	-41.1	174.7	-73.7	-179.9	-3.4	0	0	111.9	I595 R596 R602 Q603	I595-Q599 WeakPolarHBondContact O-CG 3.35Å; I595-Q599 PolarHBondContact O-N 3.28Å; R596-Q599 PolarHBondContact O-N 3.47Å; Q599-R602 PolarHBondContact O-N 3.3Å; Q599-Q603 PolarHBondContact O-N 3.42Å
600	Q	78	Confident	79.1	Confident	143 Å²	143	120.7 Å²	120.7	67%	0.668	61%	0.612	S	S	*	*	H	α-helix	trans	-64.5	-40.9	175.2	-75.3	175.8	-12.1	0	0	112.3	R596 R602 Q603 G604	R596-Q600 WeakPolarHBondContact O-CG 3.42Å; R596-Q600 PolarHBondContact O-N 3.44Å; Q600-R602 VanDerWaalsContact C-N 3.31Å; Q600-R602 PolarHBondContact O-N 3.1Å; Q600-Q603 PolarHBondContact O-N 3.46Å; Q600-G604 PolarHBondContact O-N 3.34Å
601	K	74.8	Confident	78.1	Confident	162 Å²	162	119.4 Å²	119.4	70%	0.704	61%	0.612	S	S	*	*	H	α-helix	trans	-63	-36	174.9	-77.1	-178.3	179.3	-177.8	0	112.8	S597 Q598 Q603 G604	S597-K601 WeakPolarHBondContact O-CG 3.5Å; S597-K601 PolarHBondContact O-N 3Å; Q598-K601 PolarHBondContact O-N 3.41Å; K601-Q603 VanDerWaalsContact C-N 3.33Å; K601-G604 PolarHBondContact O-N 3.19Å
602	R	67.5	Low	77.1	Confident	205 Å²	205	120.5 Å²	120.5	77%	0.774	62%	0.621	S	S	*	*	H	α-helix	trans	-69.8	-27.7	176.6	-77.2	-177.6	170.2	-169.2	-2.5	113.4	Q598 Q599 Q600	Q598-R602 WeakPolarHBondContact O-CG 3.47Å; Q598-R602 PolarHBondContact O-N 3.24Å; Q598-R602 VanDerWaalsContact O-N 3.1Å; Q599-R602 PolarHBondContact O-N 3.3Å; Q600-R602 VanDerWaalsContact C-N 3.31Å; Q600-R602 PolarHBondContact O-N 3.1Å
603	Q	62.2	Low	76.1	Confident	159 Å²	159	123.1 Å²	123.1	74%	0.743	63%	0.634	S	S	*	*	H	α-helix	trans	-81.2	-16	177	-71.5	-177.5	0.2	0	0	113.5	Q599 Q600 K601	Q599-Q603 PolarHBondContact O-N 3.42Å; Q600-Q603 PolarHBondContact O-N 3.46Å; K601-Q603 VanDerWaalsContact C-N 3.33Å
604	G	61.6	Low	74.9	Confident	65 Å²	65	124.1 Å²	124.1	67%	0.67	64%	0.643	S	S	*	*	S	Bend	trans	-93.5	-3.4	177.8	0	0	0	0	0	115.5	Q600 K601	Q600-G604 PolarHBondContact O-N 3.34Å; K601-G604 PolarHBondContact O-N 3.19Å
605	T	57.7	Low	73.5	Confident	125 Å²	125	128.2 Å²	128.2	77%	0.767	66%	0.659	S	S	*	*			trans	-114.4	17	-177.6	57.8	0	0	0	0	113.7
606	S	47	Very low	72	Confident	166 Å²	166	131.9 Å²	131.9	100%	1.161	68%	0.678	S	S	*	*			trans	-122.7	0	168.5	-168.2	0	0	0	0	109.1

Retrieved 606 of 606 residues in 252.6 ms (Link to these results)

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