A0A087X8B5_POEFO Loading...

Phosphoinositide-3-kinase regulatory subunit 6

AlphaFold DB , UniProt , Accession A0A087X8B5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 796 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	35.3	Very low	26.9	Very low	246 Å²	246	160.5 Å²	160.5	100%	1.212	88%	0.879	S	S	*	*				0	100.4	0	-153.1	172.7	-169.6	0	0	106.9
2	A	25.2	Very low	27.1	Very low	92 Å²	92	157.2 Å²	157.2	76%	0.76	87%	0.871	S	S	*	*			trans	-163	123	172.3	0	0	0	0	0	105.4
3	H	23.6	Very low	27.4	Very low	173 Å²	173	155.7 Å²	155.7	80%	0.801	87%	0.869	S	S	*	*			trans	-72.5	148.1	-176.5	-88.9	-113.6	0	0	0	111.1
4	W	26.1	Very low	28	Very low	252 Å²	252	148.7 Å²	148.7	96%	0.955	85%	0.85	S	S	*	*			trans	-105.9	115.7	160.3	-84	23	0	0	0	107
5	D	23.3	Very low	28.9	Very low	153 Å²	153	150.3 Å²	150.3	82%	0.818	86%	0.855	S	S	*	*			trans	-77.8	127	174.5	-77.7	-42.1	0	0	0	110.4
6	S	30.6	Very low	30.3	Very low	119 Å²	119	146.6 Å²	146.6	83%	0.832	84%	0.839	S	S	*	*			trans	-103.5	98.8	178.1	54.6	0	0	0	0	110.4
7	S	25.9	Very low	32.2	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	82%	0.82	S	S	*	*			trans	-161.9	91	167.5	48.2	0	0	0	0	114.7
8	S	24.9	Very low	34.3	Very low	124 Å²	124	137.6 Å²	137.6	87%	0.867	80%	0.795	S	S	*	*			trans	-150.5	115.8	132.3	58.2	0	0	0	0	109.1
9	S	28.7	Very low	36.8	Very low	119 Å²	119	135.8 Å²	135.8	83%	0.832	79%	0.787	S	S	*	*			trans	-92.5	120.4	-178	54.4	0	0	0	0	110.5
10	M	27.2	Very low	39.1	Very low	188 Å²	188	130 Å²	130	93%	0.926	75%	0.753	S	S	*	*			trans	-116.3	131.1	147.2	-87.1	-169.9	158	0	0	107.8
11	E	25	Very low	41.5	Very low	185 Å²	185	127.2 Å²	127.2	86%	0.864	74%	0.74	S	S	*	*			trans	-68.5	129.6	177.9	-63.1	178.9	130.8	0	0	109.7	T13	E11-T13 PolarHBondContact O-N 3.09Å
12	P	29.5	Very low	44.1	Very low	121 Å²	121	119.5 Å²	119.5	79%	0.786	70%	0.701	S	S	*	*			trans	-82.2	106	173.2	31.3	-30.7	0	0	0	110	G14	P12-G14 PolarHBondContact O-N 3.42Å
13	T	31.6	Very low	47.1	Very low	138 Å²	138	119 Å²	119	85%	0.847	69%	0.691	S	S	*	*			trans	-71.4	114.6	165.7	47.4	0	0	0	0	110.6	E11	E11-T13 PolarHBondContact O-N 3.09Å
14	G	35.8	Very low	50.4	Low	58 Å²	58	114 Å²	114	60%	0.598	67%	0.669	S	S	*	*	S	Bend	trans	69.2	110.6	156.4	0	0	0	0	0	118.3	P12 C16	P12-G14 PolarHBondContact O-N 3.42Å; G14-C16 PolarHBondContact O-N 3.01Å
15	D	40.3	Very low	53.5	Low	173 Å²	173	102 Å²	102	93%	0.925	62%	0.623	S	S	*	*	S	Bend	trans	54	-4.3	152.1	-61.9	-11.7	0	0	0	121.5
16	C	52.4	Low	56.8	Low	90 Å²	90	99.2 Å²	99.2	61%	0.608	60%	0.602	S	S	*	*			trans	-101.1	23.9	-171.6	-153.5	0	0	0	0	115.3	G14	G14-C16 PolarHBondContact O-N 3.01Å
17	S	63	Low	59.7	Low	72 Å²	72	102.1 Å²	102.1	50%	0.503	60%	0.595	S	S	.	*	S	Bend	trans	-99.5	150.7	177.2	59.7	0	0	0	0	112.7	T19	S17-T19 PolarHBondContact O-N 3.4Å
18	P	69.1	Low	62.8	Low	59 Å²	59	97.8 Å²	97.8	38%	0.383	56%	0.564	S	S	.	*			trans	-65.3	123.6	173.5	27.1	-33.6	0	0	0	109.8	V20 A64 N65	P18-V20 VanDerWaalsContact C-N 3.29Å; P18-V20 PolarHBondContact O-N 3.21Å; P18-A64 HydrophobicContact CB-CB 4.37Å; P18-N65 VanDerWaalsContact CA-OD1 3.26Å; P18-N65 WeakPolarHBondContact CA-OD1 3.49Å; P18-N65 WeakPolarHBondContact CB-OD1 3.43Å
19	T	81.1	Confident	66.1	Low	105 Å²	105	91.9 Å²	91.9	64%	0.644	52%	0.523	S	S	*	.	S	Bend	trans	-75.7	-17.9	179	56.4	0	0	0	0	112.8	S17 N62 N65	S17-T19 PolarHBondContact O-N 3.4Å; T19-N62 PolarHBondContact OG1-ND2 3.04Å; T19-N65 PolarHBondContact N-OD1 2.67Å; T19-N65 PolarHBondContact OG1-ND2 2.89Å
20	V	83.6	Confident	69	Low	18 Å²	18	88.4 Å²	88.4	11%	0.109	49%	0.494	C	S	.	.	S	Bend	trans	-107.6	121.6	174.4	-174.5	0	0	0	0	110	P18 E24 L25 N65	P18-V20 VanDerWaalsContact C-N 3.29Å; P18-V20 PolarHBondContact O-N 3.21Å; V20-E24 HydrophobicContact CG1-CB 4.13Å; V20-E24 HydrophobicContact CG1-CG 4.35Å; V20-L25 HydrophobicContact CB-CD2 4.19Å; V20-L25 HydrophobicContact CB-CG 4.39Å; V20-L25 HydrophobicContact CG1-CD2 3.66Å; V20-L25 HydrophobicContact CG1-CG 3.84Å; V20-N65 PolarHBondContact N-OD1 3.25Å; V20-N65 VanDerWaalsContact N-OD1 3.11Å
21	P	89.1	Confident	71.8	Confident	72 Å²	72	81.1 Å²	81.1	47%	0.468	46%	0.463	S	S	.	.			trans	-61	142.2	178.9	-24.6	34.3	0	0	0	113.4	S23 E24 L25	P21-S23 PolarHBondContact O-N 3.27Å; P21-E24 PolarHBondContact O-N 3.47Å; P21-L25 PolarHBondContact O-N 3.35Å; P21-L25 VanDerWaalsContact O-N 3.12Å
22	E	89.2	Confident	74.8	Confident	85 Å²	85	72.3 Å²	72.3	40%	0.397	42%	0.422	S	S	.	.	H	α-helix	trans	-52.5	-34	176.2	-74	-160.8	-179.4	0	0	112.7	E24 L25 Y26 V72 K75	E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.5Å; E22-L25 PolarHBondContact O-N 2.85Å; E22-Y26 VanDerWaalsContact O-CB 3.25Å; E22-Y26 WeakPolarHBondContact O-CB 3.45Å; E22-Y26 PolarHBondContact O-N 3.2Å; E22-V72 HydrophobicContact CB-CG2 4.28Å; E22-V72 HydrophobicContact CG-CG2 4.38Å; E22-K75 IonicContact OE1-NZ 2.6Å; E22-K75 IonicContact OE2-NZ 3.34Å; E22-K75 PolarHBondContact OE2-NZ 2.97Å
23	S	90.1	Very high	77.5	Confident	80 Å²	80	67 Å²	67	56%	0.559	39%	0.387	S	S	*	.	H	α-helix	trans	-68.6	-28.4	178.8	61	0	0	0	0	113.4	P21 R27	P21-S23 PolarHBondContact O-N 3.27Å; S23-R27 WeakPolarHBondContact O-CB 3.47Å; S23-R27 PolarHBondContact O-N 3.03Å; S23-R27 VanDerWaalsContact O-N 3.09Å
24	E	92.1	Very high	79.5	Confident	69 Å²	69	61.3 Å²	61.3	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-80.6	-40.6	173.2	-173.1	177.8	161.4	0	0	111.5	V20 P21 E22 Y26 R27 S28 K58	V20-E24 HydrophobicContact CG1-CB 4.13Å; V20-E24 HydrophobicContact CG1-CG 4.35Å; P21-E24 PolarHBondContact O-N 3.47Å; E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.5Å; E24-Y26 VanDerWaalsContact C-N 3.31Å; E24-Y26 PolarHBondContact O-N 3.17Å; E24-R27 PolarHBondContact O-N 3.44Å; E24-S28 VanDerWaalsContact O-CB 3.32Å; E24-S28 WeakPolarHBondContact O-CB 3.47Å; E24-S28 PolarHBondContact O-N 3.35Å; E24-S28 PolarHBondContact O-OG 2.93Å; E24-K58 IonicContact OE1-NZ 2.72Å; E24-K58 PolarHBondContact OE1-NZ 3.48Å
25	L	91.6	Very high	81.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-46.1	171.9	-64.8	177.9	0	0	0	110.5	V20 P21 E22 S28 L29 L55 V59 L69 V72	V20-L25 HydrophobicContact CB-CD2 4.19Å; V20-L25 HydrophobicContact CB-CG 4.39Å; V20-L25 HydrophobicContact CG1-CD2 3.66Å; V20-L25 HydrophobicContact CG1-CG 3.84Å; P21-L25 PolarHBondContact O-N 3.35Å; P21-L25 VanDerWaalsContact O-N 3.12Å; E22-L25 PolarHBondContact O-N 2.85Å; L25-S28 PolarHBondContact O-N 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.23Å; L25-L29 PolarHBondContact O-N 3.27Å; L25-L55 HydrophobicContact CD2-CD1 4.26Å; L25-V59 HydrophobicContact CD2-CG1 3.66Å; L25-L69 HydrophobicContact CD1-CB 4.35Å; L25-V72 HydrophobicContact CB-CG2 4.43Å
26	Y	92.1	Very high	81.7	Confident	94 Å²	94	62.2 Å²	62.2	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-57.4	-50.6	173	176.5	-94	0	0	0	112.1	E22 E24 S28 L29 Q30 V72 E76 K79	E22-Y26 VanDerWaalsContact O-CB 3.25Å; E22-Y26 WeakPolarHBondContact O-CB 3.45Å; E22-Y26 PolarHBondContact O-N 3.2Å; E24-Y26 VanDerWaalsContact C-N 3.31Å; E24-Y26 PolarHBondContact O-N 3.17Å; Y26-S28 VanDerWaalsContact C-N 3.31Å; Y26-S28 PolarHBondContact O-N 3.27Å; Y26-L29 PolarHBondContact O-N 2.84Å; Y26-Q30 HydrophobicContact CD1-CG 4.18Å; Y26-Q30 HydrophobicContact CE1-CG 3.79Å; Y26-Q30 HydrophobicContact CE2-CG 4.16Å; Y26-Q30 VanDerWaalsContact O-CG 3.31Å; Y26-Q30 WeakPolarHBondContact O-CG 3.2Å; Y26-Q30 PolarHBondContact O-N 2.93Å; Y26-V72 HydrophobicContact CD2-CG1 4.38Å; Y26-E76 HydrophobicContact CD2-CG 4.23Å; Y26-E76 HydrophobicContact CE2-CG 4.09Å; Y26-E76 WeakPolarHBondContact CE2-OE1 3.4Å; Y26-K79 PolarHBondContact OH-NZ 3.46Å
27	R	91.9	Very high	81.5	Confident	181 Å²	181	62 Å²	62	68%	0.683	34%	0.336	S	S	*	.	H	α-helix	trans	-59.9	-42.5	178.9	-171.7	-169	-58.7	164.1	3.5	111.9	S23 E24 Q30 A31	S23-R27 WeakPolarHBondContact O-CB 3.47Å; S23-R27 PolarHBondContact O-N 3.03Å; S23-R27 VanDerWaalsContact O-N 3.09Å; E24-R27 PolarHBondContact O-N 3.44Å; R27-Q30 PolarHBondContact O-N 3.1Å; R27-A31 PolarHBondContact O-N 2.73Å; R27-A31 VanDerWaalsContact O-N 3.13Å
28	S	91.5	Very high	81	Confident	22 Å²	22	61.6 Å²	61.6	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-46.6	178.9	-56.9	0	0	0	0	110.4	E24 L25 Y26 Q30 A31 V32	E24-S28 VanDerWaalsContact O-CB 3.32Å; E24-S28 WeakPolarHBondContact O-CB 3.47Å; E24-S28 PolarHBondContact O-N 3.35Å; E24-S28 PolarHBondContact O-OG 2.93Å; L25-S28 PolarHBondContact O-N 3.29Å; Y26-S28 VanDerWaalsContact C-N 3.31Å; Y26-S28 PolarHBondContact O-N 3.27Å; S28-Q30 PolarHBondContact O-N 3.03Å; S28-A31 WeakPolarHBondContact O-CB 3.39Å; S28-A31 PolarHBondContact O-N 2.89Å; S28-A31 VanDerWaalsContact O-N 3.12Å; S28-V32 WeakPolarHBondContact O-CG2 3.37Å; S28-V32 PolarHBondContact O-N 2.84Å
29	L	92.3	Very high	80	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-58.9	-46.2	174.5	-176.4	63.3	0	0	0	112.2	L25 Y26 A31 V32 L33 L55 V72 L73 E76 L92	L25-L29 WeakPolarHBondContact O-CB 3.23Å; L25-L29 PolarHBondContact O-N 3.27Å; Y26-L29 PolarHBondContact O-N 2.84Å; L29-A31 PolarHBondContact O-N 2.71Å; L29-V32 WeakPolarHBondContact O-CB 3.43Å; L29-V32 PolarHBondContact O-N 2.99Å; L29-L33 WeakPolarHBondContact O-CG 3.44Å; L29-L33 PolarHBondContact O-N 3.36Å; L29-L55 HydrophobicContact CB-CD2 4.45Å; L29-L55 HydrophobicContact CD1-CD2 4.15Å; L29-V72 HydrophobicContact CD2-CG1 3.89Å; L29-L73 HydrophobicContact CD1-CD2 3.55Å; L29-L73 HydrophobicContact CD2-CD2 3.7Å; L29-L73 HydrophobicContact CD2-CG 4.22Å; L29-L73 HydrophobicContact CG-CD2 4.29Å; L29-E76 HydrophobicContact CD2-CB 4.22Å; L29-E76 HydrophobicContact CD2-CG 4.08Å; L29-L92 HydrophobicContact CD1-CD2 3.98Å; L29-L92 HydrophobicContact CD2-CD2 3.88Å; L29-L92 HydrophobicContact CG-CD2 4.16Å
30	Q	89.5	Confident	78	Confident	47 Å²	47	69.9 Å²	69.9	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-63.8	-23.3	177.1	-67.7	-56.8	-56.2	0	0	113.7	Y26 R27 S28 R35 E76	Y26-Q30 HydrophobicContact CD1-CG 4.18Å; Y26-Q30 HydrophobicContact CE1-CG 3.79Å; Y26-Q30 HydrophobicContact CE2-CG 4.16Å; Y26-Q30 VanDerWaalsContact O-CG 3.31Å; Y26-Q30 WeakPolarHBondContact O-CG 3.2Å; Y26-Q30 PolarHBondContact O-N 2.93Å; R27-Q30 PolarHBondContact O-N 3.1Å; S28-Q30 PolarHBondContact O-N 3.03Å; Q30-R35 PolarHBondContact O-NE 2.99Å; Q30-R35 PolarHBondContact O-NH2 3.02Å; Q30-E76 PolarHBondContact NE2-OE2 3.38Å
31	A	87.9	Confident	75.9	Confident	34 Å²	34	75.8 Å²	75.8	28%	0.281	38%	0.382	S	S	.	.	H	α-helix	trans	-79.2	-28.7	174.8	0	0	0	0	0	112.2	R27 S28 L29 L51	R27-A31 PolarHBondContact O-N 2.73Å; R27-A31 VanDerWaalsContact O-N 3.13Å; S28-A31 WeakPolarHBondContact O-CB 3.39Å; S28-A31 PolarHBondContact O-N 2.89Å; S28-A31 VanDerWaalsContact O-N 3.12Å; L29-A31 PolarHBondContact O-N 2.71Å; A31-L51 HydrophobicContact CB-CD1 3.86Å; A31-L51 WeakPolarHBondContact O-CD1 3.48Å
32	V	88.1	Confident	73.7	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.006	39%	0.387	C	S	.	.	H	α-helix	trans	-75.8	-35.1	179.6	169.9	0	0	0	0	112.7	S28 L29 L51 R52 L55 W547	S28-V32 WeakPolarHBondContact O-CG2 3.37Å; S28-V32 PolarHBondContact O-N 2.84Å; L29-V32 WeakPolarHBondContact O-CB 3.43Å; L29-V32 PolarHBondContact O-N 2.99Å; V32-L51 VanDerWaalsContact CG2-C 3.49Å; V32-L51 HydrophobicContact CG2-CB 3.64Å; V32-R52 HydrophobicContact CG1-CB 3.88Å; V32-R52 HydrophobicContact CG1-CG 4.27Å; V32-R52 HydrophobicContact CG2-CB 4.31Å; V32-L55 HydrophobicContact CG2-CD2 4.45Å; V32-W547 HydrophobicContact CG1-CH2 3.48Å; V32-W547 VanDerWaalsContact CG1-CH2 3.48Å; V32-W547 HydrophobicContact CG1-CZ3 4.05Å
33	L	85.8	Confident	71.5	Confident	9 Å²	9	77.9 Å²	77.9	5%	0.047	41%	0.413	C	S	.	.	S	Bend	trans	-67.6	148.7	-174.3	-63.7	175.9	0	0	0	114.3	L29 K48 P91 L92	L29-L33 WeakPolarHBondContact O-CG 3.44Å; L29-L33 PolarHBondContact O-N 3.36Å; L33-K48 PolarHBondContact O-NZ 3.03Å; L33-P91 HydrophobicContact CD2-CB 4Å; L33-L92 HydrophobicContact CD1-CD1 4.44Å; L33-L92 HydrophobicContact CD1-CD2 4.12Å; L33-L92 HydrophobicContact CD1-CG 4.28Å; L33-L92 HydrophobicContact CD2-CD2 3.86Å; L33-L92 HydrophobicContact CD2-CG 3.74Å
34	P	73.9	Confident	69.2	Low	18 Å²	18	80.7 Å²	80.7	12%	0.117	42%	0.422	C	S	.	.			trans	-60.6	139.6	167.3	-21.4	33.7	0	0	0	112.1	P91 W547	P34-P91 HydrophobicContact CG-CG 4.05Å; P34-W547 HydrophobicContact CG-CE3 4.27Å
35	R	70.9	Confident	67	Low	138 Å²	138	87.2 Å²	87.2	52%	0.521	44%	0.443	S	S	.	.			trans	-125.4	147.5	177.1	-58.3	-178.9	-178.5	-176.7	-0.2	109.7	Q30 T37 D38	Q30-R35 PolarHBondContact O-NE 2.99Å; Q30-R35 PolarHBondContact O-NH2 3.02Å; R35-T37 PolarHBondContact O-N 2.69Å; R35-D38 PolarHBondContact N-OD2 2.77Å; R35-D38 WeakPolarHBondContact O-CB 3.44Å; R35-D38 PolarHBondContact O-N 3.19Å
36	C	50	Low	65	Low	112 Å²	112	90.2 Å²	90.2	76%	0.757	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.3	-178	-62	0	0	0	0	114.3
37	T	48.5	Very low	64	Low	85 Å²	85	87.9 Å²	87.9	52%	0.521	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.6	175.7	48.6	0	0	0	0	114.2	R35 Q39 Q40	R35-T37 PolarHBondContact O-N 2.69Å; T37-Q39 PolarHBondContact O-N 2.95Å; T37-Q40 PolarHBondContact O-N 2.79Å
38	D	53.1	Low	63.5	Low	65 Å²	65	80.5 Å²	80.5	35%	0.348	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-66.6	-23.5	-172.1	-60.7	-21.2	0	0	0	113	R35 Q40 K48	R35-D38 PolarHBondContact N-OD2 2.77Å; R35-D38 WeakPolarHBondContact O-CB 3.44Å; R35-D38 PolarHBondContact O-N 3.19Å; D38-Q40 PolarHBondContact O-N 3.05Å; D38-K48 VanDerWaalsContact CG-NZ 3.28Å; D38-K48 IonicContact OD1-NZ 3.21Å; D38-K48 PolarHBondContact OD1-NZ 3.25Å; D38-K48 IonicContact OD2-NZ 2.83Å; D38-K48 PolarHBondContact OD2-NZ 3.33Å
39	Q	47.6	Very low	63.1	Low	164 Å²	164	79.5 Å²	79.5	77%	0.766	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-75.8	-5.3	178.7	-72.6	-176	-29.3	0	0	114.1	T37	T37-Q39 PolarHBondContact O-N 2.95Å
40	Q	39.9	Very low	62.9	Low	174 Å²	174	83 Å²	83	81%	0.813	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-114.5	2.8	-171.5	-68.7	-167.2	-19.8	0	0	115.3	T37 D38	T37-Q40 PolarHBondContact O-N 2.79Å; D38-Q40 PolarHBondContact O-N 3.05Å
41	Q	39.3	Very low	62.9	Low	142 Å²	142	83.2 Å²	83.2	66%	0.664	44%	0.443	S	S	*	.	S	Bend	trans	-127	151.6	-173.6	-62.1	-171	-1.3	0	0	112.7
42	G	42.3	Very low	63.1	Low	57 Å²	57	81.8 Å²	81.8	59%	0.588	43%	0.431	S	S	*	.			trans	-77	-174.1	-162.5	0	0	0	0	0	117	D44	G42-D44 PolarHBondContact O-N 2.91Å
43	P	42.7	Very low	63.3	Low	143 Å²	143	83.1 Å²	83.1	93%	0.929	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.7	-161.3	-23.3	34.3	0	0	0	118
44	D	41.9	Very low	63.5	Low	140 Å²	140	85.2 Å²	85.2	75%	0.749	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	7.4	-165.1	-104.8	-28.2	0	0	0	115.2	G42 K561	G42-D44 PolarHBondContact O-N 2.91Å; D44-K561 IonicContact OD1-NZ 2.96Å
45	W	46.7	Very low	64.4	Low	206 Å²	206	84.4 Å²	84.4	78%	0.78	44%	0.443	S	S	*	.	S	Bend	trans	-96.6	112.7	-175.6	-158.8	-93.7	0	0	0	115.1
46	C	49.1	Very low	65.3	Low	63 Å²	63	78.6 Å²	78.6	43%	0.426	42%	0.422	S	S	.	.			trans	37.4	99.5	157.8	-150.1	0	0	0	0	118	K48	C46-K48 PolarHBondContact O-N 3.32Å
47	N	72	Confident	67.2	Low	45 Å²	45	76.2 Å²	76.2	24%	0.241	40%	0.399	C	S	.	.			trans	-55.4	98.6	174.9	-61	-37.5	0	0	0	112.2	G49 M50 L51 M558	N47-G49 VanDerWaalsContact C-N 3.3Å; N47-G49 PolarHBondContact O-N 3.44Å; N47-M50 HydrophobicContact CB-CB 3.67Å; N47-M50 WeakPolarHBondContact O-CA 3.35Å; N47-M50 WeakPolarHBondContact O-CB 3.47Å; N47-M50 PolarHBondContact O-N 2.89Å; N47-L51 PolarHBondContact O-N 3.17Å; N47-L51 VanDerWaalsContact O-N 3.09Å; N47-M558 HydrophobicContact CB-CE 4.06Å; N47-M558 HydrophobicContact CB-CG 4.29Å; N47-M558 HydrophobicContact CB-SD 3.58Å; N47-M558 VanDerWaalsContact CB-SD 3.58Å; N47-M558 VanDerWaalsContact CG-SD 3.54Å
48	K	80.1	Confident	69.2	Low	26 Å²	26	75.6 Å²	75.6	11%	0.113	39%	0.389	C	S	.	.	H	α-helix	trans	-63.4	-33.9	-178.3	-69.1	-169.2	174.9	-167.3	0	113.1	L33 D38 C46 M50 L51 R52	L33-K48 PolarHBondContact O-NZ 3.03Å; D38-K48 VanDerWaalsContact CG-NZ 3.28Å; D38-K48 IonicContact OD1-NZ 3.21Å; D38-K48 PolarHBondContact OD1-NZ 3.25Å; D38-K48 IonicContact OD2-NZ 2.83Å; D38-K48 PolarHBondContact OD2-NZ 3.33Å; C46-K48 PolarHBondContact O-N 3.32Å; K48-M50 VanDerWaalsContact C-N 3.26Å; K48-M50 PolarHBondContact O-N 3Å; K48-L51 PolarHBondContact O-N 3.14Å; K48-R52 PolarHBondContact O-N 3Å
49	G	83.7	Confident	70.9	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-58.1	-35.8	169.2	0	0	0	0	0	113.4	N47 W53 S550 N551	N47-G49 VanDerWaalsContact C-N 3.3Å; N47-G49 PolarHBondContact O-N 3.44Å; G49-W53 VanDerWaalsContact O-CB 3.29Å; G49-W53 WeakPolarHBondContact O-CB 3.48Å; G49-W53 PolarHBondContact O-N 3.08Å; G49-S550 PolarHBondContact N-O 2.78Å; G49-N551 WeakPolarHBondContact CA-OD1 3.43Å
50	M	87.8	Confident	72.6	Confident	72 Å²	72	67.4 Å²	67.4	36%	0.355	35%	0.349	S	S	.	.	H	α-helix	trans	-68.5	-45.3	173.1	-158.7	169.5	-130.6	0	0	111.6	N47 K48 R52 W53 T54 M558 F577	N47-M50 HydrophobicContact CB-CB 3.67Å; N47-M50 WeakPolarHBondContact O-CA 3.35Å; N47-M50 WeakPolarHBondContact O-CB 3.47Å; N47-M50 PolarHBondContact O-N 2.89Å; K48-M50 VanDerWaalsContact C-N 3.26Å; K48-M50 PolarHBondContact O-N 3Å; M50-R52 VanDerWaalsContact C-N 3.3Å; M50-R52 PolarHBondContact O-N 2.88Å; M50-W53 PolarHBondContact O-N 3.21Å; M50-T54 WeakPolarHBondContact O-CB 3.14Å; M50-T54 PolarHBondContact O-N 2.75Å; M50-T54 PolarHBondContact O-OG1 2.94Å; M50-T54 VanDerWaalsContact O-OG1 3.05Å; M50-M558 HydrophobicContact CB-CE 3.71Å; M50-M558 HydrophobicContact CB-SD 4.43Å; M50-M558 HydrophobicContact CE-CE 3.5Å; M50-M558 HydrophobicContact CG-CE 3.85Å; M50-M558 HydrophobicContact SD-CE 3.65Å; M50-F577 HydrophobicContact CB-CE2 4.37Å; M50-F577 HydrophobicContact CG-CE2 4.29Å
51	L	90.3	Very high	74.6	Confident	53 Å²	53	65 Å²	65	28%	0.277	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-40.4	176.1	-64.2	179.5	0	0	0	112	A31 V32 N47 K48 L55	A31-L51 HydrophobicContact CB-CD1 3.86Å; A31-L51 WeakPolarHBondContact O-CD1 3.48Å; V32-L51 VanDerWaalsContact CG2-C 3.49Å; V32-L51 HydrophobicContact CG2-CB 3.64Å; N47-L51 PolarHBondContact O-N 3.17Å; N47-L51 VanDerWaalsContact O-N 3.09Å; K48-L51 PolarHBondContact O-N 3.14Å; L51-L55 WeakPolarHBondContact O-CB 3.39Å; L51-L55 PolarHBondContact O-N 3.24Å
52	R	91.9	Very high	76.8	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-48.6	175.7	-176.4	-151.8	55.9	74.8	-5.5	110.1	V32 K48 M50 T54 L55 H56 W547 N551 Y584	V32-R52 HydrophobicContact CG1-CB 3.88Å; V32-R52 HydrophobicContact CG1-CG 4.27Å; V32-R52 HydrophobicContact CG2-CB 4.31Å; K48-R52 PolarHBondContact O-N 3Å; M50-R52 VanDerWaalsContact C-N 3.3Å; M50-R52 PolarHBondContact O-N 2.88Å; R52-T54 PolarHBondContact O-N 3.33Å; R52-L55 WeakPolarHBondContact O-CB 3.46Å; R52-L55 PolarHBondContact O-N 2.89Å; R52-H56 PolarHBondContact NH1-CE1 3.03Å; R52-H56 PolarHBondContact NH1-ND1 3.18Å; R52-H56 PolarHBondContact NH1-NE2 3.28Å; R52-H56 PolarHBondContact O-CD2 2.98Å; R52-H56 PolarHBondContact O-N 3.45Å; R52-W547 HydrophobicContact CG-CH2 4.43Å; R52-W547 HydrophobicContact CG-CZ2 4.39Å; R52-N551 VanDerWaalsContact CD-OD1 3.28Å; R52-N551 WeakPolarHBondContact CD-OD1 3.48Å; R52-N551 PolarHBondContact NE-OD1 3.31Å; R52-N551 VanDerWaalsContact NE-OD1 3.1Å; R52-Y584 VanDerWaalsContact CD-CE1 3.48Å
53	W	91.5	Very high	78.8	Confident	29 Å²	29	58 Å²	58	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-58.4	-47.1	177	175.7	86.5	0	0	0	112.1	G49 M50 L55 H56 K57 D575 F577 D580	G49-W53 VanDerWaalsContact O-CB 3.29Å; G49-W53 WeakPolarHBondContact O-CB 3.48Å; G49-W53 PolarHBondContact O-N 3.08Å; M50-W53 PolarHBondContact O-N 3.21Å; W53-L55 VanDerWaalsContact C-N 3.32Å; W53-L55 PolarHBondContact O-N 3.17Å; W53-H56 WeakPolarHBondContact O-CB 3.21Å; W53-H56 PolarHBondContact O-N 2.83Å; W53-H56 VanDerWaalsContact O-N 3.1Å; W53-K57 HydrophobicContact CD2-CG 4.07Å; W53-K57 HydrophobicContact CE3-CG 4.4Å; W53-K57 HydrophobicContact CH2-CG 4.09Å; W53-K57 HydrophobicContact CZ2-CD 4.19Å; W53-K57 VanDerWaalsContact CZ2-CE 3.42Å; W53-K57 HydrophobicContact CZ2-CG 3.73Å; W53-K57 HydrophobicContact CZ3-CG 4.41Å; W53-K57 PolarHBondContact O-N 3.16Å; W53-D575 HydrophobicContact CH2-CB 3.72Å; W53-D575 HydrophobicContact CZ2-CB 3.56Å; W53-F577 HydrophobicContact CB-CD2 4.09Å; W53-F577 HydrophobicContact CB-CE2 3.76Å; W53-F577 AromaticContact CD1-CD2 3.9Å; W53-F577 AromaticContact CD2-CD2 3.52Å; W53-F577 HydrophobicContact CD2-CD2 3.52Å; W53-F577 HydrophobicContact CD2-CE2 4.08Å; W53-F577 AromaticContact CE2-CD2 3.85Å; W53-F577 AromaticContact CE3-CD2 3.91Å; W53-F577 HydrophobicContact CE3-CD2 3.91Å; W53-F577 HydrophobicContact CE3-CE2 4.4Å; W53-F577 AromaticContact CG-CD2 3.58Å; W53-F577 HydrophobicContact CG-CD2 3.58Å; W53-F577 AromaticContact CG-CE2 3.78Å; W53-F577 HydrophobicContact CG-CE2 3.78Å; W53-F577 HydrophobicContact CZ2-CB 4.45Å; W53-D580 VanDerWaalsContact CD1-CB 3.48Å; W53-D580 PolarHBondContact NE1-OD2 3.43Å
54	T	91.5	Very high	81	Confident	53 Å²	53	52.2 Å²	52.2	33%	0.325	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-36.9	175	-58	0	0	0	0	112.1	M50 R52 H56 K57 K58	M50-T54 WeakPolarHBondContact O-CB 3.14Å; M50-T54 PolarHBondContact O-N 2.75Å; M50-T54 PolarHBondContact O-OG1 2.94Å; M50-T54 VanDerWaalsContact O-OG1 3.05Å; R52-T54 PolarHBondContact O-N 3.33Å; T54-H56 VanDerWaalsContact C-N 3.32Å; T54-H56 PolarHBondContact O-N 2.89Å; T54-K57 PolarHBondContact O-N 3.17Å; T54-K58 HydrophobicContact CG2-CD 4.5Å; T54-K58 HydrophobicContact CG2-CG 4.41Å; T54-K58 WeakPolarHBondContact O-CB 3.47Å; T54-K58 VanDerWaalsContact O-CG 3.29Å; T54-K58 WeakPolarHBondContact O-CG 3.38Å; T54-K58 PolarHBondContact O-N 3.4Å
55	L	92.2	Very high	83.3	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-41.5	173.3	174.5	61.6	0	0	0	111.6	L25 L29 V32 L51 R52 W53 K58 L69	L25-L55 HydrophobicContact CD2-CD1 4.26Å; L29-L55 HydrophobicContact CB-CD2 4.45Å; L29-L55 HydrophobicContact CD1-CD2 4.15Å; V32-L55 HydrophobicContact CG2-CD2 4.45Å; L51-L55 WeakPolarHBondContact O-CB 3.39Å; L51-L55 PolarHBondContact O-N 3.24Å; R52-L55 WeakPolarHBondContact O-CB 3.46Å; R52-L55 PolarHBondContact O-N 2.89Å; W53-L55 VanDerWaalsContact C-N 3.32Å; W53-L55 PolarHBondContact O-N 3.17Å; L55-K58 PolarHBondContact O-N 3Å; L55-L69 HydrophobicContact CD1-CD1 4.08Å; L55-L69 HydrophobicContact CD1-CD2 4.44Å; L55-L69 HydrophobicContact CD2-CD1 4.37Å; L55-L69 HydrophobicContact CG-CD1 4.5Å; L55-L69 HydrophobicContact CG-CD2 4.39Å
56	H	90.3	Very high	85.4	Confident	15 Å²	15	36 Å²	36	7%	0.069	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-46.9	177.2	-66.4	-149.2	0	0	0	110.7	R52 W53 T54 K58 V59 Q60 H98	R52-H56 PolarHBondContact NH1-CE1 3.03Å; R52-H56 PolarHBondContact NH1-ND1 3.18Å; R52-H56 PolarHBondContact NH1-NE2 3.28Å; R52-H56 PolarHBondContact O-CD2 2.98Å; R52-H56 PolarHBondContact O-N 3.45Å; W53-H56 WeakPolarHBondContact O-CB 3.21Å; W53-H56 PolarHBondContact O-N 2.83Å; W53-H56 VanDerWaalsContact O-N 3.1Å; T54-H56 VanDerWaalsContact C-N 3.32Å; T54-H56 PolarHBondContact O-N 2.89Å; H56-K58 VanDerWaalsContact C-N 3.28Å; H56-K58 PolarHBondContact O-N 3.39Å; H56-V59 VanDerWaalsContact O-CG2 3.3Å; H56-V59 WeakPolarHBondContact O-CG2 3.31Å; H56-V59 PolarHBondContact O-N 3.3Å; H56-Q60 PolarHBondContact O-N 2.87Å; H56-Q60 VanDerWaalsContact O-N 3.08Å; H56-H98 AromaticContact CE1-CD2 3.12Å; H56-H98 PolarHBondContact CE1-CD2 3.12Å; H56-H98 AromaticContact CE1-CG 3.57Å; H56-H98 AromaticContact CE1-NE2 3.5Å; H56-H98 AromaticContact CG-NE2 3.97Å; H56-H98 AromaticContact ND1-CD2 3.01Å; H56-H98 PolarHBondContact ND1-CD2 2.9Å; H56-H98 AromaticContact ND1-CE1 3.78Å; H56-H98 AromaticContact ND1-CG 3.83Å; H56-H98 AromaticContact ND1-NE2 2.92Å; H56-H98 PolarHBondContact ND1-NE2 2.71Å
57	K	89.2	Confident	87.4	Confident	62 Å²	62	35.1 Å²	35.1	27%	0.27	18%	0.18	S	C	.	.	H	α-helix	trans	-60	-34	175.5	-66.8	-57.4	-171.9	-169.8	0	113.3	W53 T54 V59 Q60 D580	W53-K57 HydrophobicContact CD2-CG 4.07Å; W53-K57 HydrophobicContact CE3-CG 4.4Å; W53-K57 HydrophobicContact CH2-CG 4.09Å; W53-K57 HydrophobicContact CZ2-CD 4.19Å; W53-K57 VanDerWaalsContact CZ2-CE 3.42Å; W53-K57 HydrophobicContact CZ2-CG 3.73Å; W53-K57 HydrophobicContact CZ3-CG 4.41Å; W53-K57 PolarHBondContact O-N 3.16Å; T54-K57 PolarHBondContact O-N 3.17Å; K57-V59 VanDerWaalsContact C-N 3.31Å; K57-V59 PolarHBondContact O-N 3.03Å; K57-Q60 PolarHBondContact O-N 3.49Å; K57-D580 WeakPolarHBondContact CE-OD2 3.41Å; K57-D580 IonicContact NZ-OD1 3.25Å; K57-D580 IonicContact NZ-OD2 2.83Å; K57-D580 PolarHBondContact NZ-OD2 2.81Å
58	K	89.8	Confident	88.5	Confident	73 Å²	73	33.8 Å²	33.8	32%	0.317	17%	0.174	S	C	.	.	H	α-helix	trans	-65.5	-27.9	177	-83.9	-176.7	178.6	-166.4	0	114.4	E24 T54 L55 H56	E24-K58 IonicContact OE1-NZ 2.72Å; E24-K58 PolarHBondContact OE1-NZ 3.48Å; T54-K58 HydrophobicContact CG2-CD 4.5Å; T54-K58 HydrophobicContact CG2-CG 4.41Å; T54-K58 WeakPolarHBondContact O-CB 3.47Å; T54-K58 VanDerWaalsContact O-CG 3.29Å; T54-K58 WeakPolarHBondContact O-CG 3.38Å; T54-K58 PolarHBondContact O-N 3.4Å; L55-K58 PolarHBondContact O-N 3Å; H56-K58 VanDerWaalsContact C-N 3.28Å; H56-K58 PolarHBondContact O-N 3.39Å
59	V	88.5	Confident	89.2	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-100.2	-14.2	179.7	-57.7	0	0	0	0	113.3	L25 H56 K57 N62 N65 S66 L69	L25-V59 HydrophobicContact CD2-CG1 3.66Å; H56-V59 VanDerWaalsContact O-CG2 3.3Å; H56-V59 WeakPolarHBondContact O-CG2 3.31Å; H56-V59 PolarHBondContact O-N 3.3Å; K57-V59 VanDerWaalsContact C-N 3.31Å; K57-V59 PolarHBondContact O-N 3.03Å; V59-N62 VanDerWaalsContact O-O 3.13Å; V59-N65 HydrophobicContact CB-CB 4.05Å; V59-N65 HydrophobicContact CG1-CB 4.16Å; V59-S66 PolarHBondContact O-OG 3.48Å; V59-L69 HydrophobicContact CB-CD2 4.46Å; V59-L69 HydrophobicContact CG1-CB 4.09Å; V59-L69 HydrophobicContact CG1-CD2 3.94Å; V59-L69 HydrophobicContact CG2-CD2 3.84Å
60	Q	83.7	Confident	89.7	Confident	55 Å²	55	32.8 Å²	32.8	26%	0.257	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	147.5	172.3	-165.6	176.3	-4.4	0	0	111.8	H56 K57 N62 P297	H56-Q60 PolarHBondContact O-N 2.87Å; H56-Q60 VanDerWaalsContact O-N 3.08Å; K57-Q60 PolarHBondContact O-N 3.49Å; Q60-N62 PolarHBondContact O-N 3.34Å; Q60-P297 HydrophobicContact CG-CB 4.46Å
61	N	81.8	Confident	90	Very high	122 Å²	122	33.8 Å²	33.8	65%	0.652	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.3	7.6	-177.6	-48.8	-45.2	0	0	0	115.3	D295	N61-D295 VanDerWaalsContact CA-OD2 3.29Å; N61-D295 WeakPolarHBondContact CA-OD2 3.4Å; N61-D295 PolarHBondContact N-OD2 2.91Å
62	N	85.4	Confident	90.3	Very high	28 Å²	28	31.6 Å²	31.6	15%	0.15	16%	0.158	C	C	.	.			trans	-140.9	110.8	172.2	-176.4	-28.3	0	0	0	111.1	T19 V59 Q60 A64 N65 S66	T19-N62 PolarHBondContact OG1-ND2 3.04Å; V59-N62 VanDerWaalsContact O-O 3.13Å; Q60-N62 PolarHBondContact O-N 3.34Å; N62-A64 VanDerWaalsContact C-N 3.29Å; N62-A64 PolarHBondContact O-N 3.4Å; N62-A64 WeakPolarHBondContact OD1-CA 3.44Å; N62-A64 VanDerWaalsContact OD1-CB 3.3Å; N62-A64 WeakPolarHBondContact OD1-CB 3.43Å; N62-A64 PolarHBondContact OD1-N 2.9Å; N62-N65 HydrophobicContact CB-CB 4.08Å; N62-N65 PolarHBondContact O-N 2.94Å; N62-N65 PolarHBondContact OD1-N 3.35Å; N62-S66 PolarHBondContact O-N 3.37Å
63	P	85.8	Confident	90.5	Very high	25 Å²	25	31.4 Å²	31.4	16%	0.162	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-26.2	-177.7	26.6	-31.3	0	0	0	113.1	S66 L67 A104 M293	P63-S66 PolarHBondContact O-N 2.86Å; P63-L67 WeakPolarHBondContact O-CB 3.4Å; P63-L67 PolarHBondContact O-N 3.47Å; P63-A104 HydrophobicContact CB-CB 4.33Å; P63-M293 HydrophobicContact CB-CB 4.27Å; P63-M293 HydrophobicContact CG-CB 3.99Å; P63-M293 WeakPolarHBondContact CG-O 3.41Å
64	A	88.1	Confident	90.7	Very high	22 Å²	22	30.3 Å²	30.3	18%	0.182	15%	0.154	C	C	.	.	H	α-helix	trans	-68.4	-38.8	173.7	0	0	0	0	0	111.6	P18 N62 S66 L67 S68	P18-A64 HydrophobicContact CB-CB 4.37Å; N62-A64 VanDerWaalsContact C-N 3.29Å; N62-A64 PolarHBondContact O-N 3.4Å; N62-A64 WeakPolarHBondContact OD1-CA 3.44Å; N62-A64 VanDerWaalsContact OD1-CB 3.3Å; N62-A64 WeakPolarHBondContact OD1-CB 3.43Å; N62-A64 PolarHBondContact OD1-N 2.9Å; A64-S66 VanDerWaalsContact C-N 3.35Å; A64-L67 PolarHBondContact O-N 3.02Å; A64-S68 WeakPolarHBondContact O-CB 3.18Å; A64-S68 PolarHBondContact O-N 3.48Å; A64-S68 PolarHBondContact O-OG 3.41Å
65	N	91	Very high	90.9	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-41.2	173.8	-71.8	-14.1	0	0	0	111.8	P18 T19 V20 V59 N62 S68 L69	P18-N65 VanDerWaalsContact CA-OD1 3.26Å; P18-N65 WeakPolarHBondContact CA-OD1 3.49Å; P18-N65 WeakPolarHBondContact CB-OD1 3.43Å; T19-N65 PolarHBondContact N-OD1 2.67Å; T19-N65 PolarHBondContact OG1-ND2 2.89Å; V20-N65 PolarHBondContact N-OD1 3.25Å; V20-N65 VanDerWaalsContact N-OD1 3.11Å; V59-N65 HydrophobicContact CB-CB 4.05Å; V59-N65 HydrophobicContact CG1-CB 4.16Å; N62-N65 HydrophobicContact CB-CB 4.08Å; N62-N65 PolarHBondContact O-N 2.94Å; N62-N65 PolarHBondContact OD1-N 3.35Å; N65-S68 PolarHBondContact O-N 2.9Å; N65-L69 WeakPolarHBondContact O-CB 3.45Å; N65-L69 PolarHBondContact O-N 3.45Å
66	S	89.9	Confident	91	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-44	176.8	-66	0	0	0	0	111.6	V59 N62 P63 A64 L69 L70 T103	V59-S66 PolarHBondContact O-OG 3.48Å; N62-S66 PolarHBondContact O-N 3.37Å; P63-S66 PolarHBondContact O-N 2.86Å; A64-S66 VanDerWaalsContact C-N 3.35Å; S66-L69 WeakPolarHBondContact O-CB 3.43Å; S66-L69 PolarHBondContact O-N 2.96Å; S66-L70 PolarHBondContact O-N 3.3Å; S66-T103 WeakPolarHBondContact CB-OG1 3.27Å
67	L	91.9	Very high	91.2	Very high	46 Å²	46	32.2 Å²	32.2	24%	0.241	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-39.4	174.2	-175.4	61.1	0	0	0	112.9	P63 A64 L69 L70 W71 T103 L110	P63-L67 WeakPolarHBondContact O-CB 3.4Å; P63-L67 PolarHBondContact O-N 3.47Å; A64-L67 PolarHBondContact O-N 3.02Å; L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.39Å; L67-L70 HydrophobicContact CD1-CD1 4.27Å; L67-L70 WeakPolarHBondContact O-CB 3.32Å; L67-L70 PolarHBondContact O-N 3.36Å; L67-W71 PolarHBondContact O-N 3.34Å; L67-W71 VanDerWaalsContact O-N 3.13Å; L67-T103 HydrophobicContact CB-CG2 4.24Å; L67-T103 HydrophobicContact CD1-CG2 4.48Å; L67-L110 HydrophobicContact CD1-CD1 3.72Å
68	S	93.5	Very high	91.4	Very high	16 Å²	16	30.7 Å²	30.7	11%	0.112	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-38	172.2	-72.8	0	0	0	0	112.1	A64 N65 W71 V72	A64-S68 WeakPolarHBondContact O-CB 3.18Å; A64-S68 PolarHBondContact O-N 3.48Å; A64-S68 PolarHBondContact O-OG 3.41Å; N65-S68 PolarHBondContact O-N 2.9Å; S68-W71 PolarHBondContact O-N 2.98Å; S68-V72 WeakPolarHBondContact O-CG2 3.29Å; S68-V72 PolarHBondContact O-N 2.77Å; S68-V72 VanDerWaalsContact O-N 3.07Å
69	L	94.7	Very high	91.6	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-40.6	174.7	178.8	60.6	0	0	0	111.8	L25 L55 V59 N65 S66 L67 W71 V72 L73 A99	L25-L69 HydrophobicContact CD1-CB 4.35Å; L55-L69 HydrophobicContact CD1-CD1 4.08Å; L55-L69 HydrophobicContact CD1-CD2 4.44Å; L55-L69 HydrophobicContact CD2-CD1 4.37Å; L55-L69 HydrophobicContact CG-CD1 4.5Å; L55-L69 HydrophobicContact CG-CD2 4.39Å; V59-L69 HydrophobicContact CB-CD2 4.46Å; V59-L69 HydrophobicContact CG1-CB 4.09Å; V59-L69 HydrophobicContact CG1-CD2 3.94Å; V59-L69 HydrophobicContact CG2-CD2 3.84Å; N65-L69 WeakPolarHBondContact O-CB 3.45Å; N65-L69 PolarHBondContact O-N 3.45Å; S66-L69 WeakPolarHBondContact O-CB 3.43Å; S66-L69 PolarHBondContact O-N 2.96Å; L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.39Å; L69-W71 VanDerWaalsContact C-N 3.34Å; L69-W71 PolarHBondContact O-N 2.86Å; L69-V72 PolarHBondContact O-N 3.43Å; L69-L73 HydrophobicContact CD1-CD1 3.94Å; L69-L73 HydrophobicContact CD1-CG 4.06Å; L69-L73 HydrophobicContact CD2-CD1 4.31Å; L69-L73 HydrophobicContact CG-CD1 3.68Å; L69-L73 HydrophobicContact CG-CG 4.31Å; L69-L73 WeakPolarHBondContact O-CB 3.43Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-L73 PolarHBondContact O-N 3.24Å; L69-A99 HydrophobicContact CD2-CB 4.39Å
70	L	94.9	Very high	91.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-56.2	-47.2	172.5	-69.8	-178.5	0	0	0	111.9	S66 L67 V72 L73 I74 L96 A99 I100 T103 I106 L110	S66-L70 PolarHBondContact O-N 3.3Å; L67-L70 HydrophobicContact CD1-CD1 4.27Å; L67-L70 WeakPolarHBondContact O-CB 3.32Å; L67-L70 PolarHBondContact O-N 3.36Å; L70-V72 VanDerWaalsContact C-N 3.35Å; L70-V72 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 3.3Å; L70-I74 VanDerWaalsContact O-CG1 3.27Å; L70-I74 WeakPolarHBondContact O-CG1 3.49Å; L70-I74 PolarHBondContact O-N 3.07Å; L70-L96 HydrophobicContact CD2-CD1 3.65Å; L70-A99 HydrophobicContact CD2-CB 3.59Å; L70-A99 HydrophobicContact CG-CB 4.37Å; L70-I100 HydrophobicContact CD1-CG1 4.5Å; L70-I100 HydrophobicContact CD2-CB 4.46Å; L70-I100 HydrophobicContact CD2-CG1 3.56Å; L70-T103 HydrophobicContact CD1-CG2 3.91Å; L70-T103 WeakPolarHBondContact CD1-OG1 3.45Å; L70-I106 HydrophobicContact CD1-CD1 3.74Å; L70-I106 HydrophobicContact CD1-CG1 3.81Å; L70-L110 HydrophobicContact CB-CD1 4.45Å
71	W	94.7	Very high	92	Very high	94 Å²	94	29.7 Å²	29.7	36%	0.356	15%	0.149	S	C	.	.	H	α-helix	trans	-58.9	-43.8	176.8	-89.7	103.9	0	0	0	112.8	L67 S68 L69 K75 L110	L67-W71 PolarHBondContact O-N 3.34Å; L67-W71 VanDerWaalsContact O-N 3.13Å; S68-W71 PolarHBondContact O-N 2.98Å; L69-W71 VanDerWaalsContact C-N 3.34Å; L69-W71 PolarHBondContact O-N 2.86Å; W71-K75 WeakPolarHBondContact O-CB 3.46Å; W71-K75 WeakPolarHBondContact O-CD 3.39Å; W71-K75 WeakPolarHBondContact O-CG 3.25Å; W71-K75 PolarHBondContact O-N 2.85Å; W71-K75 VanDerWaalsContact O-N 3.1Å; W71-L110 HydrophobicContact CD2-CD2 3.95Å; W71-L110 HydrophobicContact CE3-CD2 4.23Å; W71-L110 HydrophobicContact CH2-CD2 4.07Å; W71-L110 HydrophobicContact CZ2-CD2 3.74Å; W71-L110 HydrophobicContact CZ3-CD2 4.32Å
72	V	95.9	Very high	92.3	Very high	6 Å²	6	33 Å²	33	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-43.3	177.4	172.9	0	0	0	0	111.3	E22 L25 Y26 L29 S68 L69 L70 K75 E76	E22-V72 HydrophobicContact CB-CG2 4.28Å; E22-V72 HydrophobicContact CG-CG2 4.38Å; L25-V72 HydrophobicContact CB-CG2 4.43Å; Y26-V72 HydrophobicContact CD2-CG1 4.38Å; L29-V72 HydrophobicContact CD2-CG1 3.89Å; S68-V72 WeakPolarHBondContact O-CG2 3.29Å; S68-V72 PolarHBondContact O-N 2.77Å; S68-V72 VanDerWaalsContact O-N 3.07Å; L69-V72 PolarHBondContact O-N 3.43Å; L70-V72 VanDerWaalsContact C-N 3.35Å; L70-V72 PolarHBondContact O-N 3.32Å; V72-K75 PolarHBondContact O-N 3.5Å; V72-E76 PolarHBondContact O-N 3.42Å
73	L	96.4	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-43.7	178.5	-76.6	163.5	0	0	0	112.5	L29 L69 L70 E76 L77 L92 T95 L96 A99	L29-L73 HydrophobicContact CD1-CD2 3.55Å; L29-L73 HydrophobicContact CD2-CD2 3.7Å; L29-L73 HydrophobicContact CD2-CG 4.22Å; L29-L73 HydrophobicContact CG-CD2 4.29Å; L69-L73 HydrophobicContact CD1-CD1 3.94Å; L69-L73 HydrophobicContact CD1-CG 4.06Å; L69-L73 HydrophobicContact CD2-CD1 4.31Å; L69-L73 HydrophobicContact CG-CD1 3.68Å; L69-L73 HydrophobicContact CG-CG 4.31Å; L69-L73 WeakPolarHBondContact O-CB 3.43Å; L69-L73 WeakPolarHBondContact O-CG 3.48Å; L69-L73 PolarHBondContact O-N 3.24Å; L70-L73 PolarHBondContact O-N 3.3Å; L73-E76 PolarHBondContact O-N 3.4Å; L73-L77 WeakPolarHBondContact O-CB 3.22Å; L73-L77 WeakPolarHBondContact O-CG 3.44Å; L73-L77 PolarHBondContact O-N 3.38Å; L73-L92 HydrophobicContact CD2-CD2 3.84Å; L73-T95 HydrophobicContact CD1-CG2 4.05Å; L73-T95 HydrophobicContact CD2-CG2 3.88Å; L73-L96 HydrophobicContact CB-CB 4.38Å; L73-L96 HydrophobicContact CB-CD1 3.93Å; L73-L96 HydrophobicContact CD1-CB 4.42Å; L73-L96 HydrophobicContact CD1-CD1 4.49Å; L73-A99 HydrophobicContact CD1-CB 4.13Å
74	I	96.2	Very high	92.2	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.036	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-43.7	177.7	-65.9	165.4	0	0	0	110.8	L70 E76 L77 E78 L96 L110 R113 V114	L70-I74 VanDerWaalsContact O-CG1 3.27Å; L70-I74 WeakPolarHBondContact O-CG1 3.49Å; L70-I74 PolarHBondContact O-N 3.07Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.3Å; I74-L77 PolarHBondContact O-N 2.84Å; I74-E78 PolarHBondContact O-N 3.12Å; I74-E78 VanDerWaalsContact O-N 3.12Å; I74-L96 HydrophobicContact CD1-CD1 4.41Å; I74-L96 HydrophobicContact CG1-CD1 3.88Å; I74-L96 HydrophobicContact CG1-CD2 4.45Å; I74-L110 HydrophobicContact CD1-CB 4.09Å; I74-L110 HydrophobicContact CD1-CD2 3.93Å; I74-L110 HydrophobicContact CD1-CG 4.41Å; I74-R113 HydrophobicContact CG2-CB 4.16Å; I74-V114 HydrophobicContact CD1-CG2 3.59Å; I74-V114 HydrophobicContact CG1-CG2 3.76Å
75	K	95	Very high	92.1	Very high	86 Å²	86	45.6 Å²	45.6	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-57.8	-44.1	174.2	-73	166.3	-175.2	168.5	0	111	E22 W71 V72 K79	E22-K75 IonicContact OE1-NZ 2.6Å; E22-K75 IonicContact OE2-NZ 3.34Å; E22-K75 PolarHBondContact OE2-NZ 2.97Å; W71-K75 WeakPolarHBondContact O-CB 3.46Å; W71-K75 WeakPolarHBondContact O-CD 3.39Å; W71-K75 WeakPolarHBondContact O-CG 3.25Å; W71-K75 PolarHBondContact O-N 2.85Å; W71-K75 VanDerWaalsContact O-N 3.1Å; V72-K75 PolarHBondContact O-N 3.5Å; K75-K79 WeakPolarHBondContact O-CB 3.42Å; K75-K79 PolarHBondContact O-N 3.4Å; K75-K79 VanDerWaalsContact O-N 3.14Å
76	E	94.9	Very high	91.8	Very high	19 Å²	19	50.3 Å²	50.3	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-74.2	-29.5	179.6	-74.9	-57.5	107.2	0	0	114.2	Y26 L29 Q30 V72 L73 I74 K79 A80 L92	Y26-E76 HydrophobicContact CD2-CG 4.23Å; Y26-E76 HydrophobicContact CE2-CG 4.09Å; Y26-E76 WeakPolarHBondContact CE2-OE1 3.4Å; L29-E76 HydrophobicContact CD2-CB 4.22Å; L29-E76 HydrophobicContact CD2-CG 4.08Å; Q30-E76 PolarHBondContact NE2-OE2 3.38Å; V72-E76 PolarHBondContact O-N 3.42Å; L73-E76 PolarHBondContact O-N 3.4Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.3Å; E76-K79 PolarHBondContact O-N 2.95Å; E76-K79 WeakPolarHBondContact OE1-CD 3.24Å; E76-K79 IonicContact OE1-NZ 3.25Å; E76-K79 PolarHBondContact OE1-NZ 3.18Å; E76-K79 WeakPolarHBondContact OE2-CD 3.28Å; E76-K79 IonicContact OE2-NZ 2.59Å; E76-K79 PolarHBondContact OE2-NZ 3.04Å; E76-A80 VanDerWaalsContact O-CB 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.19Å; E76-A80 PolarHBondContact O-N 3.29Å; E76-L92 HydrophobicContact CB-CD1 4.26Å; E76-L92 HydrophobicContact CB-CD2 4.12Å
77	L	94.5	Very high	91.5	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-50.9	171.8	-82.4	165.2	0	0	0	111.9	L73 I74 K79 A80 E81 L92 L93 L96 F117	L73-L77 WeakPolarHBondContact O-CB 3.22Å; L73-L77 WeakPolarHBondContact O-CG 3.44Å; L73-L77 PolarHBondContact O-N 3.38Å; I74-L77 PolarHBondContact O-N 2.84Å; L77-K79 PolarHBondContact O-N 2.75Å; L77-A80 PolarHBondContact O-N 3.39Å; L77-A80 VanDerWaalsContact O-N 3.14Å; L77-E81 PolarHBondContact O-N 3.3Å; L77-L92 HydrophobicContact CD1-CB 4.47Å; L77-L92 HydrophobicContact CD2-CB 3.34Å; L77-L92 HydrophobicContact CD2-CD1 4.05Å; L77-L92 HydrophobicContact CD2-CG 4.33Å; L77-L92 HydrophobicContact CG-CB 3.72Å; L77-L92 HydrophobicContact CG-CD1 4.23Å; L77-L93 HydrophobicContact CD1-CD2 4.16Å; L77-L93 HydrophobicContact CD2-CD2 4.17Å; L77-L93 HydrophobicContact CD2-CG 3.96Å; L77-L96 HydrophobicContact CD1-CB 4.26Å; L77-L96 HydrophobicContact CD1-CD2 3.51Å; L77-L96 HydrophobicContact CD1-CG 4.42Å; L77-F117 HydrophobicContact CB-CD2 4.3Å; L77-F117 HydrophobicContact CB-CE1 4.32Å; L77-F117 HydrophobicContact CB-CE2 3.91Å; L77-F117 HydrophobicContact CB-CZ 3.92Å; L77-F117 HydrophobicContact CD2-CE1 3.75Å; L77-F117 HydrophobicContact CD2-CZ 3.76Å; L77-F117 HydrophobicContact CG-CE1 4.47Å; L77-F117 HydrophobicContact CG-CZ 4.41Å; L77-F117 WeakPolarHBondContact O-CE2 3.28Å
78	E	93.8	Very high	91.4	Very high	30 Å²	30	54.5 Å²	54.5	14%	0.14	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-33.3	177	-71.2	178.4	-171.5	0	0	112	I74 R82 R113	I74-E78 PolarHBondContact O-N 3.12Å; I74-E78 VanDerWaalsContact O-N 3.12Å; E78-R82 WeakPolarHBondContact O-CG 3.38Å; E78-R82 PolarHBondContact O-N 2.82Å; E78-R82 VanDerWaalsContact O-N 3.1Å; E78-R82 IonicContact OE2-NH2 3.48Å; E78-R82 PolarHBondContact OE2-NH2 3.27Å; E78-R113 IonicContact OE1-CZ 2.67Å; E78-R113 IonicContact OE1-NE 2.76Å; E78-R113 PolarHBondContact OE1-NE 2.75Å; E78-R113 IonicContact OE1-NH2 3.19Å; E78-R113 PolarHBondContact OE1-NH2 2.98Å; E78-R113 IonicContact OE2-CZ 3.6Å; E78-R113 IonicContact OE2-NH2 2.76Å; E78-R113 PolarHBondContact OE2-NH2 3.21Å
79	K	92.8	Very high	91.3	Very high	63 Å²	63	53.8 Å²	53.8	27%	0.274	24%	0.236	S	C	.	.	H	α-helix	trans	-70.5	-46.7	172.3	179.8	-167.5	174.4	-166.2	0	111.4	Y26 K75 E76 L77 E81 R82 W83	Y26-K79 PolarHBondContact OH-NZ 3.46Å; K75-K79 WeakPolarHBondContact O-CB 3.42Å; K75-K79 PolarHBondContact O-N 3.4Å; K75-K79 VanDerWaalsContact O-N 3.14Å; E76-K79 PolarHBondContact O-N 2.95Å; E76-K79 WeakPolarHBondContact OE1-CD 3.24Å; E76-K79 IonicContact OE1-NZ 3.25Å; E76-K79 PolarHBondContact OE1-NZ 3.18Å; E76-K79 WeakPolarHBondContact OE2-CD 3.28Å; E76-K79 IonicContact OE2-NZ 2.59Å; E76-K79 PolarHBondContact OE2-NZ 3.04Å; L77-K79 PolarHBondContact O-N 2.75Å; K79-E81 PolarHBondContact O-N 2.95Å; K79-R82 PolarHBondContact O-N 3.21Å; K79-W83 PolarHBondContact O-N 2.84Å
80	A	90.9	Very high	91.2	Very high	7 Å²	7	53.8 Å²	53.8	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-37.1	178.3	0	0	0	0	0	111.8	E76 L77 D84 S85 I89 L92	E76-A80 VanDerWaalsContact O-CB 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.19Å; E76-A80 PolarHBondContact O-N 3.29Å; L77-A80 PolarHBondContact O-N 3.39Å; L77-A80 VanDerWaalsContact O-N 3.14Å; A80-D84 PolarHBondContact O-N 2.88Å; A80-S85 PolarHBondContact O-N 3.37Å; A80-I89 HydrophobicContact CB-CG1 4.22Å; A80-L92 HydrophobicContact CB-CD1 3.99Å
81	E	89.5	Confident	91	Very high	39 Å²	39	53.9 Å²	53.9	18%	0.182	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-51.2	169.9	174.4	176.4	-140.9	0	0	112.3	L77 K79 W83 D84 F117 R120	L77-E81 PolarHBondContact O-N 3.3Å; K79-E81 PolarHBondContact O-N 2.95Å; E81-W83 VanDerWaalsContact C-N 3.29Å; E81-W83 PolarHBondContact O-N 3.37Å; E81-D84 PolarHBondContact O-N 2.92Å; E81-F117 HydrophobicContact CB-CE2 3.84Å; E81-F117 HydrophobicContact CB-CZ 4.45Å; E81-R120 WeakPolarHBondContact OE1-CD 3.22Å; E81-R120 IonicContact OE1-CZ 2.94Å; E81-R120 IonicContact OE1-NE 3.77Å; E81-R120 PolarHBondContact OE1-NE 2.79Å; E81-R120 IonicContact OE1-NH2 2.82Å; E81-R120 IonicContact OE2-CZ 3.93Å; E81-R120 IonicContact OE2-NE 2.63Å; E81-R120 PolarHBondContact OE2-NE 2.94Å; E81-R120 VanDerWaalsContact OE2-NE 3.14Å; E81-R120 IonicContact OE2-NH2 3.23Å; E81-R120 PolarHBondContact OE2-NH2 2.85Å
82	R	89.3	Confident	91	Very high	191 Å²	191	49.4 Å²	49.4	72%	0.721	22%	0.219	S	C	*	.	H	α-helix	trans	-62.1	-31.1	-179.8	-71.8	170.4	-157.8	-167.6	9.9	114.2	E78 K79	E78-R82 WeakPolarHBondContact O-CG 3.38Å; E78-R82 PolarHBondContact O-N 2.82Å; E78-R82 VanDerWaalsContact O-N 3.1Å; E78-R82 IonicContact OE2-NH2 3.48Å; E78-R82 PolarHBondContact OE2-NH2 3.27Å; K79-R82 PolarHBondContact O-N 3.21Å
83	W	87	Confident	91	Very high	196 Å²	196	49.2 Å²	49.2	74%	0.742	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	19.5	-179.3	-64.9	89.6	0	0	0	112.9	K79 E81 S85	K79-W83 PolarHBondContact O-N 2.84Å; E81-W83 VanDerWaalsContact C-N 3.29Å; E81-W83 PolarHBondContact O-N 3.37Å; W83-S85 PolarHBondContact O-N 3.01Å; W83-S85 PolarHBondContact O-OG 3.28Å; W83-S85 VanDerWaalsContact O-OG 3.09Å
84	D	81.9	Confident	90.8	Very high	90 Å²	90	49.3 Å²	49.3	48%	0.481	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	44	32.3	-178.3	-156.4	21.8	0	0	0	115.1	A80 E81 R86	A80-D84 PolarHBondContact O-N 2.88Å; E81-D84 PolarHBondContact O-N 2.92Å; D84-R86 PolarHBondContact O-N 3.34Å; D84-R86 WeakPolarHBondContact OD1-CG 3.22Å; D84-R86 IonicContact OD1-CZ 3.69Å; D84-R86 IonicContact OD1-NE 2.81Å; D84-R86 PolarHBondContact OD1-NE 2.93Å; D84-R86 IonicContact OD1-NH2 2.73Å; D84-R86 PolarHBondContact OD1-NH2 3.36Å; D84-R86 VanDerWaalsContact OD1-NH2 3.1Å; D84-R86 IonicContact OD2-CZ 2.69Å; D84-R86 IonicContact OD2-NE 2.91Å; D84-R86 IonicContact OD2-NH2 3.81Å; D84-R86 PolarHBondContact OD2-NH2 2.98Å
85	S	85.8	Confident	90.7	Very high	54 Å²	54	49 Å²	49	38%	0.378	22%	0.217	S	C	.	.			trans	-85	56	-174.4	-64.4	0	0	0	0	111.3	A80 W83 K87 S88	A80-S85 PolarHBondContact O-N 3.37Å; W83-S85 PolarHBondContact O-N 3.01Å; W83-S85 PolarHBondContact O-OG 3.28Å; W83-S85 VanDerWaalsContact O-OG 3.09Å; S85-K87 VanDerWaalsContact C-N 3.27Å; S85-K87 PolarHBondContact O-N 3.39Å; S85-K87 VanDerWaalsContact O-N 3.12Å; S85-S88 PolarHBondContact O-N 3.33Å
86	R	85	Confident	90.7	Very high	102 Å²	102	45 Å²	45	39%	0.385	20%	0.199	S	C	.	.	H	α-helix	trans	-53	-38.6	-168.7	-58.2	-174.5	-166.2	165.6	14.1	114.2	D84 S88 I89 Y128	D84-R86 PolarHBondContact O-N 3.34Å; D84-R86 WeakPolarHBondContact OD1-CG 3.22Å; D84-R86 IonicContact OD1-CZ 3.69Å; D84-R86 IonicContact OD1-NE 2.81Å; D84-R86 PolarHBondContact OD1-NE 2.93Å; D84-R86 IonicContact OD1-NH2 2.73Å; D84-R86 PolarHBondContact OD1-NH2 3.36Å; D84-R86 VanDerWaalsContact OD1-NH2 3.1Å; D84-R86 IonicContact OD2-CZ 2.69Å; D84-R86 IonicContact OD2-NE 2.91Å; D84-R86 IonicContact OD2-NH2 3.81Å; D84-R86 PolarHBondContact OD2-NH2 2.98Å; R86-S88 PolarHBondContact O-N 3.04Å; R86-I89 HydrophobicContact CB-CD1 4.48Å; R86-I89 HydrophobicContact CG-CD1 4.5Å; R86-I89 WeakPolarHBondContact O-CB 3.29Å; R86-I89 PolarHBondContact O-N 3.03Å; R86-Y128 HydrophobicContact CB-CE1 4.24Å; R86-Y128 WeakPolarHBondContact O-CE1 3.46Å; R86-Y128 PolarHBondContact O-OH 2.91Å
87	K	83.7	Confident	90.7	Very high	115 Å²	115	44.2 Å²	44.2	50%	0.5	20%	0.196	S	C	.	.	H	α-helix	trans	-56.9	-23.1	178.5	-63.3	-170.4	177.4	-170.2	0	113.8	S85 P91	S85-K87 VanDerWaalsContact C-N 3.27Å; S85-K87 PolarHBondContact O-N 3.39Å; S85-K87 VanDerWaalsContact O-N 3.12Å; K87-P91 WeakPolarHBondContact O-CD 3.35Å
88	S	88.5	Confident	90.6	Very high	20 Å²	20	45.4 Å²	45.4	14%	0.14	20%	0.201	C	C	.	.	H	α-helix	trans	-90.6	-17.6	177.5	-56.5	0	0	0	0	113.8	S85 R86 L92	S85-S88 PolarHBondContact O-N 3.33Å; R86-S88 PolarHBondContact O-N 3.04Å; S88-L92 VanDerWaalsContact O-CB 3.3Å; S88-L92 WeakPolarHBondContact O-CB 3.22Å; S88-L92 WeakPolarHBondContact O-CD1 3.34Å; S88-L92 WeakPolarHBondContact O-CG 3.37Å; S88-L92 PolarHBondContact O-N 3.39Å
89	I	92.2	Very high	90.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-51.8	-172.1	-65.3	177.8	0	0	0	111.3	A80 R86 L92 L93 F117 L121 Y124 Y128	A80-I89 HydrophobicContact CB-CG1 4.22Å; R86-I89 HydrophobicContact CB-CD1 4.48Å; R86-I89 HydrophobicContact CG-CD1 4.5Å; R86-I89 WeakPolarHBondContact O-CB 3.29Å; R86-I89 PolarHBondContact O-N 3.03Å; I89-L92 PolarHBondContact O-N 2.9Å; I89-L93 HydrophobicContact CG2-CD1 3.73Å; I89-L93 HydrophobicContact CG2-CG 4.31Å; I89-L93 WeakPolarHBondContact O-CB 3.19Å; I89-L93 VanDerWaalsContact O-CG 3.27Å; I89-L93 WeakPolarHBondContact O-CG 3.38Å; I89-L93 PolarHBondContact O-N 3.16Å; I89-F117 HydrophobicContact CG2-CE1 4.15Å; I89-F117 HydrophobicContact CG2-CZ 4.17Å; I89-L121 HydrophobicContact CG2-CD2 3.87Å; I89-Y124 HydrophobicContact CD1-CE1 4.25Å; I89-Y128 HydrophobicContact CB-CD1 4.37Å; I89-Y128 HydrophobicContact CB-CE1 4.24Å; I89-Y128 HydrophobicContact CG2-CD1 4.27Å
90	I	91.6	Very high	90.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-46	-177.9	-67	173.8	0	0	0	112.3	L92 L93 H94 P127 Y128 A792 I795	I90-L92 VanDerWaalsContact C-N 3.34Å; I90-L92 PolarHBondContact O-N 2.69Å; I90-L93 PolarHBondContact O-N 3.03Å; I90-H94 VanDerWaalsContact CG2-CD2 3.41Å; I90-H94 WeakPolarHBondContact CG2-CD2 3.31Å; I90-H94 PolarHBondContact O-CD2 3.42Å; I90-H94 VanDerWaalsContact O-CD2 3.24Å; I90-H94 PolarHBondContact O-N 2.93Å; I90-P127 HydrophobicContact CD1-CG 3.84Å; I90-Y128 HydrophobicContact CD1-CD1 3.75Å; I90-Y128 HydrophobicContact CD1-CE1 3.75Å; I90-Y128 HydrophobicContact CD1-CG 4.36Å; I90-Y128 HydrophobicContact CG1-CD1 3.78Å; I90-Y128 HydrophobicContact CG1-CE1 3.85Å; I90-A792 HydrophobicContact CD1-CB 3.83Å; I90-A792 HydrophobicContact CG2-CB 4.11Å; I90-I795 HydrophobicContact CD1-CD1 4.45Å
91	P	92.1	Very high	90.6	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-52.9	-45.9	170.1	-30.3	35.7	0	0	0	114.1	L33 P34 K87 T95 W547	L33-P91 HydrophobicContact CD2-CB 4Å; P34-P91 HydrophobicContact CG-CG 4.05Å; K87-P91 WeakPolarHBondContact O-CD 3.35Å; P91-T95 WeakPolarHBondContact O-CB 3.48Å; P91-T95 PolarHBondContact O-N 3.03Å; P91-T95 VanDerWaalsContact O-N 3.07Å; P91-T95 PolarHBondContact O-OG1 3.27Å; P91-W547 HydrophobicContact CB-CD2 3.7Å; P91-W547 HydrophobicContact CB-CE3 3.66Å; P91-W547 HydrophobicContact CB-CG 4.28Å; P91-W547 HydrophobicContact CB-CH2 4.3Å; P91-W547 HydrophobicContact CB-CZ2 4.3Å; P91-W547 HydrophobicContact CB-CZ3 3.98Å; P91-W547 HydrophobicContact CG-CB 4.16Å; P91-W547 HydrophobicContact CG-CD2 3.8Å; P91-W547 HydrophobicContact CG-CE3 3.77Å; P91-W547 HydrophobicContact CG-CG 3.97Å
92	L	94.4	Very high	90.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-41.9	177.6	-76.6	169.8	0	0	0	111.9	L29 L33 L73 E76 L77 A80 S88 I89 I90 T95 L96	L29-L92 HydrophobicContact CD1-CD2 3.98Å; L29-L92 HydrophobicContact CD2-CD2 3.88Å; L29-L92 HydrophobicContact CG-CD2 4.16Å; L33-L92 HydrophobicContact CD1-CD1 4.44Å; L33-L92 HydrophobicContact CD1-CD2 4.12Å; L33-L92 HydrophobicContact CD1-CG 4.28Å; L33-L92 HydrophobicContact CD2-CD2 3.86Å; L33-L92 HydrophobicContact CD2-CG 3.74Å; L73-L92 HydrophobicContact CD2-CD2 3.84Å; E76-L92 HydrophobicContact CB-CD1 4.26Å; E76-L92 HydrophobicContact CB-CD2 4.12Å; L77-L92 HydrophobicContact CD1-CB 4.47Å; L77-L92 HydrophobicContact CD2-CB 3.34Å; L77-L92 HydrophobicContact CD2-CD1 4.05Å; L77-L92 HydrophobicContact CD2-CG 4.33Å; L77-L92 HydrophobicContact CG-CB 3.72Å; L77-L92 HydrophobicContact CG-CD1 4.23Å; A80-L92 HydrophobicContact CB-CD1 3.99Å; S88-L92 VanDerWaalsContact O-CB 3.3Å; S88-L92 WeakPolarHBondContact O-CB 3.22Å; S88-L92 WeakPolarHBondContact O-CD1 3.34Å; S88-L92 WeakPolarHBondContact O-CG 3.37Å; S88-L92 PolarHBondContact O-N 3.39Å; I89-L92 PolarHBondContact O-N 2.9Å; I90-L92 VanDerWaalsContact C-N 3.34Å; I90-L92 PolarHBondContact O-N 2.69Å; L92-T95 PolarHBondContact O-N 3.39Å; L92-L96 VanDerWaalsContact O-CB 3.25Å; L92-L96 WeakPolarHBondContact O-CB 3.37Å; L92-L96 PolarHBondContact O-N 3.24Å
93	L	94.4	Very high	90.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-46.8	176.7	-75.2	167.4	0	0	0	112.1	L77 I89 I90 T95 L96 M97 F117 L121 V131 Y135	L77-L93 HydrophobicContact CD1-CD2 4.16Å; L77-L93 HydrophobicContact CD2-CD2 4.17Å; L77-L93 HydrophobicContact CD2-CG 3.96Å; I89-L93 HydrophobicContact CG2-CD1 3.73Å; I89-L93 HydrophobicContact CG2-CG 4.31Å; I89-L93 WeakPolarHBondContact O-CB 3.19Å; I89-L93 VanDerWaalsContact O-CG 3.27Å; I89-L93 WeakPolarHBondContact O-CG 3.38Å; I89-L93 PolarHBondContact O-N 3.16Å; I90-L93 PolarHBondContact O-N 3.03Å; L93-T95 VanDerWaalsContact C-N 3.3Å; L93-T95 PolarHBondContact O-N 2.86Å; L93-L96 PolarHBondContact O-N 3.18Å; L93-M97 VanDerWaalsContact O-CG 3.31Å; L93-M97 WeakPolarHBondContact O-CG 3.2Å; L93-M97 PolarHBondContact O-N 3.05Å; L93-F117 HydrophobicContact CD1-CE1 4.47Å; L93-F117 HydrophobicContact CD2-CD1 4.01Å; L93-F117 HydrophobicContact CD2-CE1 3.92Å; L93-F117 HydrophobicContact CG-CE1 4.35Å; L93-L121 HydrophobicContact CD1-CD1 3.45Å; L93-L121 VanDerWaalsContact CD1-CD1 3.45Å; L93-L121 HydrophobicContact CD2-CD1 4.31Å; L93-L121 HydrophobicContact CG-CD1 4.48Å; L93-V131 HydrophobicContact CD1-CG1 4.37Å; L93-Y135 HydrophobicContact CB-CD2 4.29Å; L93-Y135 HydrophobicContact CB-CE2 4.2Å
94	H	93.4	Very high	90.8	Very high	2 Å²	2	22 Å²	22	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-37.6	177.8	-69	-51	0	0	0	112.3	I90 H98 Y135 W547 Y584 S588 F791	I90-H94 VanDerWaalsContact CG2-CD2 3.41Å; I90-H94 WeakPolarHBondContact CG2-CD2 3.31Å; I90-H94 PolarHBondContact O-CD2 3.42Å; I90-H94 VanDerWaalsContact O-CD2 3.24Å; I90-H94 PolarHBondContact O-N 2.93Å; H94-H98 PolarHBondContact O-N 2.84Å; H94-H98 VanDerWaalsContact O-N 3.16Å; H94-Y135 AromaticContact CE1-CE2 3.36Å; H94-Y135 WeakPolarHBondContact CE1-CE2 3.21Å; H94-Y135 AromaticContact CE1-CZ 2.98Å; H94-Y135 PolarHBondContact CE1-OH 3.08Å; H94-Y135 AromaticContact ND1-CE2 3.89Å; H94-Y135 AromaticContact ND1-CZ 3.75Å; H94-Y135 PolarHBondContact ND1-OH 2.79Å; H94-Y135 AromaticContact NE2-CZ 3.94Å; H94-Y135 PolarHBondContact NE2-OH 3.39Å; H94-W547 AromaticContact CD2-CD1 3.94Å; H94-Y584 WeakPolarHBondContact CB-OH 3.45Å; H94-S588 PolarHBondContact NE2-O 3.24Å; H94-F791 PolarHBondContact NE2-O 3.5Å
95	T	93.9	Very high	91.3	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-41.3	175.2	-49.9	0	0	0	0	111	L73 P91 L92 L93 H98 A99	L73-T95 HydrophobicContact CD1-CG2 4.05Å; L73-T95 HydrophobicContact CD2-CG2 3.88Å; P91-T95 WeakPolarHBondContact O-CB 3.48Å; P91-T95 PolarHBondContact O-N 3.03Å; P91-T95 VanDerWaalsContact O-N 3.07Å; P91-T95 PolarHBondContact O-OG1 3.27Å; L92-T95 PolarHBondContact O-N 3.39Å; L93-T95 VanDerWaalsContact C-N 3.3Å; L93-T95 PolarHBondContact O-N 2.86Å; T95-H98 PolarHBondContact O-N 3.27Å; T95-A99 WeakPolarHBondContact O-CB 3.43Å; T95-A99 PolarHBondContact O-N 3.02Å
96	L	95.3	Very high	91.7	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-61.3	-49.7	174.3	177.5	71.3	0	0	0	111.9	L70 L73 I74 L77 L92 L93 H98 A99 I100 V114	L70-L96 HydrophobicContact CD2-CD1 3.65Å; L73-L96 HydrophobicContact CB-CB 4.38Å; L73-L96 HydrophobicContact CB-CD1 3.93Å; L73-L96 HydrophobicContact CD1-CB 4.42Å; L73-L96 HydrophobicContact CD1-CD1 4.49Å; I74-L96 HydrophobicContact CD1-CD1 4.41Å; I74-L96 HydrophobicContact CG1-CD1 3.88Å; I74-L96 HydrophobicContact CG1-CD2 4.45Å; L77-L96 HydrophobicContact CD1-CB 4.26Å; L77-L96 HydrophobicContact CD1-CD2 3.51Å; L77-L96 HydrophobicContact CD1-CG 4.42Å; L92-L96 VanDerWaalsContact O-CB 3.25Å; L92-L96 WeakPolarHBondContact O-CB 3.37Å; L92-L96 PolarHBondContact O-N 3.24Å; L93-L96 PolarHBondContact O-N 3.18Å; L96-H98 VanDerWaalsContact C-N 3.29Å; L96-H98 PolarHBondContact O-N 3.03Å; L96-A99 CarbonylContact O-C 3.39Å; L96-A99 PolarHBondContact O-N 3.11Å; L96-A99 VanDerWaalsContact O-N 3.15Å; L96-I100 HydrophobicContact CD1-CD1 4.08Å; L96-I100 HydrophobicContact CD1-CG1 4.24Å; L96-I100 HydrophobicContact CD2-CD1 4.26Å; L96-I100 HydrophobicContact CG-CD1 3.8Å; L96-I100 HydrophobicContact CG-CG1 4.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.18Å; L96-I100 PolarHBondContact O-N 3.04Å; L96-V114 HydrophobicContact CD2-CB 4.42Å; L96-V114 HydrophobicContact CD2-CG1 3.76Å; L96-V114 HydrophobicContact CD2-CG2 3.76Å
97	M	94.4	Very high	92.1	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.02	7%	0.074	C	C	.	.	H	α-helix	trans	-62.7	-37.4	-178.8	-69	-57.8	-55	0	0	112	L93 I100 I101 Y135 Q138 I139 M149	L93-M97 VanDerWaalsContact O-CG 3.31Å; L93-M97 WeakPolarHBondContact O-CG 3.2Å; L93-M97 PolarHBondContact O-N 3.05Å; M97-I100 PolarHBondContact O-N 2.94Å; M97-I100 HydrophobicContact SD-CD1 4.3Å; M97-I101 WeakPolarHBondContact O-CD1 3.4Å; M97-I101 VanDerWaalsContact O-CG1 3.25Å; M97-I101 WeakPolarHBondContact O-CG1 3.29Å; M97-I101 PolarHBondContact O-N 3.2Å; M97-I101 VanDerWaalsContact O-N 3.16Å; M97-Y135 HydrophobicContact CB-CE1 4.31Å; M97-Y135 HydrophobicContact CE-CD1 3.85Å; M97-Y135 HydrophobicContact CE-CE1 4.28Å; M97-Y135 HydrophobicContact CE-CG 4.33Å; M97-Y135 HydrophobicContact CG-CD1 3.73Å; M97-Y135 HydrophobicContact CG-CD2 3.66Å; M97-Y135 HydrophobicContact CG-CE1 3.69Å; M97-Y135 HydrophobicContact CG-CE2 3.62Å; M97-Y135 HydrophobicContact CG-CG 3.72Å; M97-Y135 HydrophobicContact SD-CD1 3.96Å; M97-Y135 HydrophobicContact SD-CD2 4.29Å; M97-Y135 HydrophobicContact SD-CE1 4.47Å; M97-Y135 HydrophobicContact SD-CG 3.86Å; M97-Q138 HydrophobicContact CE-CB 4.24Å; M97-I139 HydrophobicContact CE-CD1 3.73Å; M97-I139 HydrophobicContact CE-CG1 4.04Å; M97-I139 HydrophobicContact SD-CD1 3.69Å; M97-I139 HydrophobicContact SD-CG1 3.82Å; M97-M149 HydrophobicContact CE-CE 3.75Å; M97-M149 HydrophobicContact CE-SD 4.22Å
98	H	91.8	Very high	92.4	Very high	28 Å²	28	12.6 Å²	12.6	13%	0.13	7%	0.065	C	C	.	.	H	α-helix	trans	-63.3	-46.5	172.6	-175.4	86.8	0	0	0	112	H56 H94 T95 L96 I100 I101 Q102	H56-H98 AromaticContact CE1-CD2 3.12Å; H56-H98 PolarHBondContact CE1-CD2 3.12Å; H56-H98 AromaticContact CE1-CG 3.57Å; H56-H98 AromaticContact CE1-NE2 3.5Å; H56-H98 AromaticContact CG-NE2 3.97Å; H56-H98 AromaticContact ND1-CD2 3.01Å; H56-H98 PolarHBondContact ND1-CD2 2.9Å; H56-H98 AromaticContact ND1-CE1 3.78Å; H56-H98 AromaticContact ND1-CG 3.83Å; H56-H98 AromaticContact ND1-NE2 2.92Å; H56-H98 PolarHBondContact ND1-NE2 2.71Å; H94-H98 PolarHBondContact O-N 2.84Å; H94-H98 VanDerWaalsContact O-N 3.16Å; T95-H98 PolarHBondContact O-N 3.27Å; L96-H98 VanDerWaalsContact C-N 3.29Å; L96-H98 PolarHBondContact O-N 3.03Å; H98-I100 VanDerWaalsContact C-N 3.3Å; H98-I100 PolarHBondContact O-N 2.9Å; H98-I101 PolarHBondContact O-N 2.85Å; H98-Q102 PolarHBondContact O-N 2.75Å; H98-Q102 VanDerWaalsContact O-N 3.15Å
99	A	93	Very high	92.7	Very high	4 Å²	4	17.3 Å²	17.3	3%	0.033	9%	0.085	C	C	.	.	H	α-helix	trans	-64.6	-32.8	177.1	0	0	0	0	0	112.7	L69 L70 L73 T95 L96 Q102 T103	L69-A99 HydrophobicContact CD2-CB 4.39Å; L70-A99 HydrophobicContact CD2-CB 3.59Å; L70-A99 HydrophobicContact CG-CB 4.37Å; L73-A99 HydrophobicContact CD1-CB 4.13Å; T95-A99 WeakPolarHBondContact O-CB 3.43Å; T95-A99 PolarHBondContact O-N 3.02Å; L96-A99 CarbonylContact O-C 3.39Å; L96-A99 PolarHBondContact O-N 3.11Å; L96-A99 VanDerWaalsContact O-N 3.15Å; A99-Q102 PolarHBondContact O-N 2.72Å; A99-T103 WeakPolarHBondContact O-CB 3.46Å; A99-T103 PolarHBondContact O-N 3.38Å; A99-T103 PolarHBondContact O-OG1 2.95Å
100	I	94.1	Very high	92.8	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-63.9	-47.1	175.8	-75.6	175.3	0	0	0	110.1	L70 L96 M97 H98 Q102 T103 I106 Y111 V114 I139	L70-I100 HydrophobicContact CD1-CG1 4.5Å; L70-I100 HydrophobicContact CD2-CB 4.46Å; L70-I100 HydrophobicContact CD2-CG1 3.56Å; L96-I100 HydrophobicContact CD1-CD1 4.08Å; L96-I100 HydrophobicContact CD1-CG1 4.24Å; L96-I100 HydrophobicContact CD2-CD1 4.26Å; L96-I100 HydrophobicContact CG-CD1 3.8Å; L96-I100 HydrophobicContact CG-CG1 4.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.18Å; L96-I100 PolarHBondContact O-N 3.04Å; M97-I100 PolarHBondContact O-N 2.94Å; M97-I100 HydrophobicContact SD-CD1 4.3Å; H98-I100 VanDerWaalsContact C-N 3.3Å; H98-I100 PolarHBondContact O-N 2.9Å; I100-Q102 PolarHBondContact O-N 3.01Å; I100-T103 PolarHBondContact O-N 3.31Å; I100-I106 HydrophobicContact CB-CD1 4.09Å; I100-I106 HydrophobicContact CG1-CD1 4.11Å; I100-I106 HydrophobicContact CG2-CD1 3.78Å; I100-Y111 HydrophobicContact CG2-CE1 4.38Å; I100-V114 HydrophobicContact CD1-CG1 4.16Å; I100-V114 HydrophobicContact CD1-CG2 4.3Å; I100-I139 HydrophobicContact CD1-CD1 3.56Å; I100-I139 HydrophobicContact CG2-CD1 4.05Å
101	I	91.8	Very high	93	Very high	14 Å²	14	17.7 Å²	17.7	7%	0.072	9%	0.086	C	C	.	.	H	α-helix	trans	-66.2	-29.3	-179.6	-61.5	162.2	0	0	0	111.5	M97 H98 M149 Y150 M153 I298	M97-I101 WeakPolarHBondContact O-CD1 3.4Å; M97-I101 VanDerWaalsContact O-CG1 3.25Å; M97-I101 WeakPolarHBondContact O-CG1 3.29Å; M97-I101 PolarHBondContact O-N 3.2Å; M97-I101 VanDerWaalsContact O-N 3.16Å; H98-I101 PolarHBondContact O-N 2.85Å; I101-M149 HydrophobicContact CD1-CE 3.71Å; I101-M149 HydrophobicContact CG1-CB 4.29Å; I101-M149 HydrophobicContact CG1-CE 3.85Å; I101-Y150 HydrophobicContact CG2-CD2 4.36Å; I101-Y150 WeakPolarHBondContact O-CD2 3.48Å; I101-M153 HydrophobicContact CD1-CE 3.73Å; I101-M153 HydrophobicContact CG2-CE 4.09Å; I101-M153 HydrophobicContact CG2-SD 4.12Å; I101-I298 HydrophobicContact CB-CD1 4.2Å; I101-I298 HydrophobicContact CG2-CD1 3.83Å
102	Q	89.1	Confident	93.1	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.042	10%	0.104	C	C	.	.	H	α-helix	trans	-80.6	-27	177.4	-173.3	179.6	-11.4	0	0	113.5	H98 A99 I100 A104 I298	H98-Q102 PolarHBondContact O-N 2.75Å; H98-Q102 VanDerWaalsContact O-N 3.15Å; A99-Q102 PolarHBondContact O-N 2.72Å; I100-Q102 PolarHBondContact O-N 3.01Å; Q102-A104 PolarHBondContact O-N 3.03Å; Q102-I298 HydrophobicContact CB-CD1 3.89Å; Q102-I298 HydrophobicContact CB-CG1 4.3Å
103	T	91.4	Very high	93.2	Very high	3 Å²	3	25 Å²	25	2%	0.018	12%	0.115	C	C	.	.			trans	-80.9	110.2	-167.2	-59.6	0	0	0	0	111.6	S66 L67 L70 A99 I100 Y105 I106	S66-T103 WeakPolarHBondContact CB-OG1 3.27Å; L67-T103 HydrophobicContact CB-CG2 4.24Å; L67-T103 HydrophobicContact CD1-CG2 4.48Å; L70-T103 HydrophobicContact CD1-CG2 3.91Å; L70-T103 WeakPolarHBondContact CD1-OG1 3.45Å; A99-T103 WeakPolarHBondContact O-CB 3.46Å; A99-T103 PolarHBondContact O-N 3.38Å; A99-T103 PolarHBondContact O-OG1 2.95Å; I100-T103 PolarHBondContact O-N 3.31Å; T103-Y105 WeakPolarHBondContact CG2-O 3.32Å; T103-Y105 PolarHBondContact O-N 2.75Å; T103-I106 HydrophobicContact CG2-CG1 3.89Å
104	A	89.6	Confident	93.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-51.4	-24.6	-176.5	0	0	0	0	0	116.7	P63 Q102 Q218 A219 M293	P63-A104 HydrophobicContact CB-CB 4.33Å; Q102-A104 PolarHBondContact O-N 3.03Å; A104-Q218 CarbonylContact O-C 3.47Å; A104-Q218 VanDerWaalsContact O-C 3.32Å; A104-A219 WeakPolarHBondContact O-CA 3.41Å; A104-A219 PolarHBondContact O-N 3.39Å; A104-A219 VanDerWaalsContact O-N 3.12Å; A104-M293 HydrophobicContact CB-CB 4.31Å
105	Y	92.4	Very high	93.4	Very high	69 Å²	69	27.2 Å²	27.2	27%	0.271	13%	0.125	S	C	.	.			trans	-153.7	135.4	170.2	173.6	-99.9	0	0	0	111.4	T103 P107 A219 P223	T103-Y105 WeakPolarHBondContact CG2-O 3.32Å; T103-Y105 PolarHBondContact O-N 2.75Å; Y105-P107 HydrophobicContact CE1-CG 4.13Å; Y105-A219 WeakPolarHBondContact CD2-O 3.13Å; Y105-P223 VanDerWaalsContact CD1-CD 3.45Å; Y105-P223 HydrophobicContact CD1-CG 4.25Å; Y105-P223 HydrophobicContact CE1-CG 4.36Å
106	I	93.5	Very high	93.4	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.041	14%	0.142	C	C	.	.			trans	-126.8	120.8	-177.4	-60.2	178.5	0	0	0	109.8	L70 I100 T103 L110 Y111	L70-I106 HydrophobicContact CD1-CD1 3.74Å; L70-I106 HydrophobicContact CD1-CG1 3.81Å; I100-I106 HydrophobicContact CB-CD1 4.09Å; I100-I106 HydrophobicContact CG1-CD1 4.11Å; I100-I106 HydrophobicContact CG2-CD1 3.78Å; T103-I106 HydrophobicContact CG2-CG1 3.89Å; I106-L110 HydrophobicContact CG2-CB 3.87Å; I106-L110 HydrophobicContact CG2-CD1 4.4Å; I106-Y111 HydrophobicContact CB-CD2 4.31Å; I106-Y111 HydrophobicContact CB-CE1 4.32Å; I106-Y111 HydrophobicContact CB-CE2 3.66Å; I106-Y111 HydrophobicContact CD1-CE1 4.11Å; I106-Y111 HydrophobicContact CG2-CD1 4.24Å; I106-Y111 HydrophobicContact CG2-CD2 3.92Å; I106-Y111 HydrophobicContact CG2-CE1 4.09Å; I106-Y111 HydrophobicContact CG2-CE2 3.77Å; I106-Y111 HydrophobicContact CG2-CG 4.15Å; I106-Y111 WeakPolarHBondContact O-CE2 3.5Å
107	P	92.6	Very high	93.5	Very high	29 Å²	29	30.7 Å²	30.7	19%	0.188	14%	0.143	C	C	.	.			trans	-60.1	144.1	174.2	-24.6	34	0	0	0	113.6	Y105 E109 L110 Y111	Y105-P107 HydrophobicContact CE1-CG 4.13Å; P107-E109 WeakPolarHBondContact CB-OE2 3.3Å; P107-E109 PolarHBondContact O-N 3.39Å; P107-E109 VanDerWaalsContact O-N 3.16Å; P107-L110 WeakPolarHBondContact O-CB 3Å; P107-L110 PolarHBondContact O-N 3.17Å; P107-Y111 PolarHBondContact O-N 2.66Å
108	D	91.4	Very high	93.4	Very high	57 Å²	57	30.5 Å²	30.5	31%	0.305	14%	0.142	S	C	.	.	H	α-helix	trans	-59.4	-28.3	-177.1	-176	58.5	0	0	0	113.7	L110 Y111 K112 R143	D108-L110 VanDerWaalsContact C-N 3.29Å; D108-L110 PolarHBondContact O-N 3.5Å; D108-Y111 PolarHBondContact O-N 2.98Å; D108-K112 WeakPolarHBondContact O-CB 3.41Å; D108-K112 WeakPolarHBondContact O-CG 3.39Å; D108-K112 PolarHBondContact O-N 3.33Å; D108-K112 WeakPolarHBondContact OD2-CE 3.49Å; D108-K112 IonicContact OD2-NZ 3.99Å; D108-K112 PolarHBondContact OD2-NZ 3.34Å; D108-R143 VanDerWaalsContact CG-NH2 3.27Å; D108-R143 IonicContact OD1-CZ 2.77Å; D108-R143 IonicContact OD1-NE 3.25Å; D108-R143 PolarHBondContact OD1-NE 2.87Å; D108-R143 IonicContact OD1-NH2 3.7Å; D108-R143 PolarHBondContact OD1-NH2 3.38Å; D108-R143 IonicContact OD2-CZ 3.42Å; D108-R143 IonicContact OD2-NH2 3.01Å; D108-R143 PolarHBondContact OD2-NH2 2.91Å
109	E	94	Very high	93.5	Very high	119 Å²	119	32.9 Å²	32.9	56%	0.556	15%	0.152	S	C	*	.	H	α-helix	trans	-63.9	-33.4	173.9	-56	88.7	171.8	0	0	112.6	P107 R113	P107-E109 WeakPolarHBondContact CB-OE2 3.3Å; P107-E109 PolarHBondContact O-N 3.39Å; P107-E109 VanDerWaalsContact O-N 3.16Å; E109-R113 WeakPolarHBondContact O-CG 3.32Å; E109-R113 PolarHBondContact O-N 2.76Å; E109-R113 VanDerWaalsContact O-N 3.08Å
110	L	95.3	Very high	93.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-71.5	-47.1	176.9	-62.2	-168.9	0	0	0	110.5	L67 L70 W71 I74 I106 P107 D108 K112 R113 V114	L67-L110 HydrophobicContact CD1-CD1 3.72Å; L70-L110 HydrophobicContact CB-CD1 4.45Å; W71-L110 HydrophobicContact CD2-CD2 3.95Å; W71-L110 HydrophobicContact CE3-CD2 4.23Å; W71-L110 HydrophobicContact CH2-CD2 4.07Å; W71-L110 HydrophobicContact CZ2-CD2 3.74Å; W71-L110 HydrophobicContact CZ3-CD2 4.32Å; I74-L110 HydrophobicContact CD1-CB 4.09Å; I74-L110 HydrophobicContact CD1-CD2 3.93Å; I74-L110 HydrophobicContact CD1-CG 4.41Å; I106-L110 HydrophobicContact CG2-CB 3.87Å; I106-L110 HydrophobicContact CG2-CD1 4.4Å; P107-L110 WeakPolarHBondContact O-CB 3Å; P107-L110 PolarHBondContact O-N 3.17Å; D108-L110 VanDerWaalsContact C-N 3.29Å; D108-L110 PolarHBondContact O-N 3.5Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 2.98Å; L110-R113 PolarHBondContact O-N 3.4Å; L110-R113 VanDerWaalsContact O-N 3.16Å; L110-V114 WeakPolarHBondContact O-CG2 3.37Å; L110-V114 PolarHBondContact O-N 3.06Å
111	Y	94.6	Very high	93.5	Very high	11 Å²	11	37 Å²	37	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-43.2	174.1	-74.7	-57	0	0	0	112.2	I100 I106 P107 D108 V114 Y115 I139 E142 R143	I100-Y111 HydrophobicContact CG2-CE1 4.38Å; I106-Y111 HydrophobicContact CB-CD2 4.31Å; I106-Y111 HydrophobicContact CB-CE1 4.32Å; I106-Y111 HydrophobicContact CB-CE2 3.66Å; I106-Y111 HydrophobicContact CD1-CE1 4.11Å; I106-Y111 HydrophobicContact CG2-CD1 4.24Å; I106-Y111 HydrophobicContact CG2-CD2 3.92Å; I106-Y111 HydrophobicContact CG2-CE1 4.09Å; I106-Y111 HydrophobicContact CG2-CE2 3.77Å; I106-Y111 HydrophobicContact CG2-CG 4.15Å; I106-Y111 WeakPolarHBondContact O-CE2 3.5Å; P107-Y111 PolarHBondContact O-N 2.66Å; D108-Y111 PolarHBondContact O-N 2.98Å; Y111-V114 PolarHBondContact O-N 2.95Å; Y111-Y115 WeakPolarHBondContact O-CB 3.44Å; Y111-Y115 PolarHBondContact O-N 2.71Å; Y111-I139 HydrophobicContact CD1-CG2 4.3Å; Y111-E142 HydrophobicContact CE1-CB 4.47Å; Y111-E142 HydrophobicContact CE1-CG 3.92Å; Y111-R143 HydrophobicContact CD1-CB 4.31Å; Y111-R143 HydrophobicContact CD2-CB 4.34Å; Y111-R143 HydrophobicContact CD2-CG 4.18Å; Y111-R143 HydrophobicContact CG-CB 4Å; Y111-R143 HydrophobicContact CG-CG 4.02Å
112	K	94.9	Very high	93.5	Very high	90 Å²	90	39.8 Å²	39.8	39%	0.391	18%	0.181	S	C	.	.	H	α-helix	trans	-55.1	-52.2	173.1	-79.3	162.5	164.5	145.9	0	111.9	D108 L110 V114 Y115 D116	D108-K112 WeakPolarHBondContact O-CB 3.41Å; D108-K112 WeakPolarHBondContact O-CG 3.39Å; D108-K112 PolarHBondContact O-N 3.33Å; D108-K112 WeakPolarHBondContact OD2-CE 3.49Å; D108-K112 IonicContact OD2-NZ 3.99Å; D108-K112 PolarHBondContact OD2-NZ 3.34Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 2.98Å; K112-V114 PolarHBondContact O-N 2.76Å; K112-Y115 PolarHBondContact O-N 3.42Å; K112-D116 WeakPolarHBondContact O-CB 3.46Å; K112-D116 PolarHBondContact O-N 3.17Å
113	R	96.3	Very high	93.7	Very high	67 Å²	67	45.3 Å²	45.3	25%	0.253	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-43.4	-178.9	-73.7	176.5	73	-171	9.1	112.6	I74 E78 E109 L110 F117	I74-R113 HydrophobicContact CG2-CB 4.16Å; E78-R113 IonicContact OE1-CZ 2.67Å; E78-R113 IonicContact OE1-NE 2.76Å; E78-R113 PolarHBondContact OE1-NE 2.75Å; E78-R113 IonicContact OE1-NH2 3.19Å; E78-R113 PolarHBondContact OE1-NH2 2.98Å; E78-R113 IonicContact OE2-CZ 3.6Å; E78-R113 IonicContact OE2-NH2 2.76Å; E78-R113 PolarHBondContact OE2-NH2 3.21Å; E109-R113 WeakPolarHBondContact O-CG 3.32Å; E109-R113 PolarHBondContact O-N 2.76Å; E109-R113 VanDerWaalsContact O-N 3.08Å; L110-R113 PolarHBondContact O-N 3.4Å; L110-R113 VanDerWaalsContact O-N 3.16Å; R113-F117 WeakPolarHBondContact O-CB 3.41Å; R113-F117 PolarHBondContact O-N 3.41Å
114	V	96.2	Very high	93.6	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-45.1	177.3	178	0	0	0	0	111.1	I74 L96 I100 L110 Y111 K112 D116 F117 C118 I139	I74-V114 HydrophobicContact CD1-CG2 3.59Å; I74-V114 HydrophobicContact CG1-CG2 3.76Å; L96-V114 HydrophobicContact CD2-CB 4.42Å; L96-V114 HydrophobicContact CD2-CG1 3.76Å; L96-V114 HydrophobicContact CD2-CG2 3.76Å; I100-V114 HydrophobicContact CD1-CG1 4.16Å; I100-V114 HydrophobicContact CD1-CG2 4.3Å; L110-V114 WeakPolarHBondContact O-CG2 3.37Å; L110-V114 PolarHBondContact O-N 3.06Å; Y111-V114 PolarHBondContact O-N 2.95Å; K112-V114 PolarHBondContact O-N 2.76Å; V114-D116 PolarHBondContact O-N 3.41Å; V114-F117 PolarHBondContact O-N 2.76Å; V114-C118 PolarHBondContact O-N 3.24Å; V114-C118 PolarHBondContact O-SG 2.93Å; V114-I139 HydrophobicContact CB-CG2 4.36Å; V114-I139 HydrophobicContact CG1-CD1 4.16Å; V114-I139 HydrophobicContact CG1-CG1 3.87Å; V114-I139 HydrophobicContact CG1-CG2 4.17Å
115	Y	95.6	Very high	93.5	Very high	47 Å²	47	50.9 Å²	50.9	18%	0.184	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-46.4	177.4	-179.1	-128	0	0	0	111.8	Y111 K112 C118 K119 T136 K140	Y111-Y115 WeakPolarHBondContact O-CB 3.44Å; Y111-Y115 PolarHBondContact O-N 2.71Å; K112-Y115 PolarHBondContact O-N 3.42Å; Y115-C118 PolarHBondContact O-N 3.38Å; Y115-K119 VanDerWaalsContact CD1-CE 3.49Å; Y115-K119 WeakPolarHBondContact O-CG 3.36Å; Y115-K119 PolarHBondContact O-N 2.82Å; Y115-T136 HydrophobicContact CD2-CG2 3.94Å; Y115-T136 HydrophobicContact CE2-CG2 3.53Å; Y115-K140 HydrophobicContact CD2-CB 4.32Å; Y115-K140 HydrophobicContact CE2-CB 3.81Å; Y115-K140 HydrophobicContact CE2-CG 4.24Å
116	D	95.3	Very high	93.1	Very high	68 Å²	68	51.8 Å²	51.8	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-70.6	-30.5	178.9	-71.9	-27.9	0	0	0	112.9	K112 V114 K119 R120	K112-D116 WeakPolarHBondContact O-CB 3.46Å; K112-D116 PolarHBondContact O-N 3.17Å; V114-D116 PolarHBondContact O-N 3.41Å; D116-K119 IonicContact OD1-NZ 2.71Å; D116-K119 PolarHBondContact OD1-NZ 3.01Å; D116-R120 VanDerWaalsContact C-NH1 3.25Å; D116-R120 WeakPolarHBondContact O-CG 3.49Å; D116-R120 PolarHBondContact O-N 3.35Å; D116-R120 PolarHBondContact O-NH1 3.39Å
117	F	95.4	Very high	92.7	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-50.6	168.4	-174.1	-87.7	0	0	0	111	L77 E81 I89 L93 R113 V114 K119 R120 L121	L77-F117 HydrophobicContact CB-CD2 4.3Å; L77-F117 HydrophobicContact CB-CE1 4.32Å; L77-F117 HydrophobicContact CB-CE2 3.91Å; L77-F117 HydrophobicContact CB-CZ 3.92Å; L77-F117 HydrophobicContact CD2-CE1 3.75Å; L77-F117 HydrophobicContact CD2-CZ 3.76Å; L77-F117 HydrophobicContact CG-CE1 4.47Å; L77-F117 HydrophobicContact CG-CZ 4.41Å; L77-F117 WeakPolarHBondContact O-CE2 3.28Å; E81-F117 HydrophobicContact CB-CE2 3.84Å; E81-F117 HydrophobicContact CB-CZ 4.45Å; I89-F117 HydrophobicContact CG2-CE1 4.15Å; I89-F117 HydrophobicContact CG2-CZ 4.17Å; L93-F117 HydrophobicContact CD1-CE1 4.47Å; L93-F117 HydrophobicContact CD2-CD1 4.01Å; L93-F117 HydrophobicContact CD2-CE1 3.92Å; L93-F117 HydrophobicContact CG-CE1 4.35Å; R113-F117 WeakPolarHBondContact O-CB 3.41Å; R113-F117 PolarHBondContact O-N 3.41Å; V114-F117 PolarHBondContact O-N 2.76Å; F117-K119 VanDerWaalsContact C-N 3.28Å; F117-K119 PolarHBondContact O-N 2.88Å; F117-R120 WeakPolarHBondContact O-CB 2.99Å; F117-R120 PolarHBondContact O-N 2.91Å; F117-L121 HydrophobicContact CD1-CD1 4.07Å; F117-L121 HydrophobicContact CD1-CG 4.26Å; F117-L121 HydrophobicContact CE1-CD1 3.84Å; F117-L121 HydrophobicContact CE1-CD2 3.9Å; F117-L121 HydrophobicContact CE1-CG 4.02Å; F117-L121 HydrophobicContact CZ-CD2 4.25Å; F117-L121 PolarHBondContact O-N 3.44Å
118	C	94.3	Very high	92.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-34.5	-179	-63.5	0	0	0	0	112.6	V114 Y115 L121 T136	V114-C118 PolarHBondContact O-N 3.24Å; V114-C118 PolarHBondContact O-SG 2.93Å; Y115-C118 PolarHBondContact O-N 3.38Å; C118-L121 WeakPolarHBondContact O-CB 3.45Å; C118-L121 PolarHBondContact O-N 3.49Å; C118-T136 WeakPolarHBondContact CB-OG1 3.34Å; C118-T136 PolarHBondContact O-OG1 2.92Å
119	K	93.7	Very high	92.5	Very high	79 Å²	79	49.6 Å²	49.6	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-41.5	169.6	-74.6	178.6	-161.1	157	0	113.2	Y115 D116 F117 L121 L122 T136	Y115-K119 VanDerWaalsContact CD1-CE 3.49Å; Y115-K119 WeakPolarHBondContact O-CG 3.36Å; Y115-K119 PolarHBondContact O-N 2.82Å; D116-K119 IonicContact OD1-NZ 2.71Å; D116-K119 PolarHBondContact OD1-NZ 3.01Å; F117-K119 VanDerWaalsContact C-N 3.28Å; F117-K119 PolarHBondContact O-N 2.88Å; K119-L121 VanDerWaalsContact C-N 3.27Å; K119-L121 PolarHBondContact O-N 3.47Å; K119-L122 WeakPolarHBondContact O-CB 3.38Å; K119-L122 VanDerWaalsContact O-CG 3.25Å; K119-L122 WeakPolarHBondContact O-CG 3.2Å; K119-L122 PolarHBondContact O-N 3.18Å; K119-L122 VanDerWaalsContact O-N 3.09Å; K119-T136 HydrophobicContact CG-CG2 4.22Å; K119-T136 PolarHBondContact N-OG1 2.65Å
120	R	93.6	Very high	92.2	Very high	94 Å²	94	44.9 Å²	44.9	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-65.2	-33.4	-179.6	-71.4	-171.3	-54.5	-88.3	14.7	111.4	E81 D116 F117 L122 T123 Y124	E81-R120 WeakPolarHBondContact OE1-CD 3.22Å; E81-R120 IonicContact OE1-CZ 2.94Å; E81-R120 IonicContact OE1-NE 3.77Å; E81-R120 PolarHBondContact OE1-NE 2.79Å; E81-R120 IonicContact OE1-NH2 2.82Å; E81-R120 IonicContact OE2-CZ 3.93Å; E81-R120 IonicContact OE2-NE 2.63Å; E81-R120 PolarHBondContact OE2-NE 2.94Å; E81-R120 VanDerWaalsContact OE2-NE 3.14Å; E81-R120 IonicContact OE2-NH2 3.23Å; E81-R120 PolarHBondContact OE2-NH2 2.85Å; D116-R120 VanDerWaalsContact C-NH1 3.25Å; D116-R120 WeakPolarHBondContact O-CG 3.49Å; D116-R120 PolarHBondContact O-N 3.35Å; D116-R120 PolarHBondContact O-NH1 3.39Å; F117-R120 WeakPolarHBondContact O-CB 2.99Å; F117-R120 PolarHBondContact O-N 2.91Å; R120-L122 PolarHBondContact O-N 3.07Å; R120-L122 VanDerWaalsContact O-N 3.15Å; R120-T123 PolarHBondContact O-N 3.24Å; R120-T123 PolarHBondContact O-OG1 3.32Å; R120-Y124 WeakPolarHBondContact O-CD2 3.24Å
121	L	92.8	Very high	91.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.2	-20.3	173.1	-57	173.7	0	0	0	113.7	I89 L93 F117 C118 K119 T123 Y124 C129	I89-L121 HydrophobicContact CG2-CD2 3.87Å; L93-L121 HydrophobicContact CD1-CD1 3.45Å; L93-L121 VanDerWaalsContact CD1-CD1 3.45Å; L93-L121 HydrophobicContact CD2-CD1 4.31Å; L93-L121 HydrophobicContact CG-CD1 4.48Å; F117-L121 HydrophobicContact CD1-CD1 4.07Å; F117-L121 HydrophobicContact CD1-CG 4.26Å; F117-L121 HydrophobicContact CE1-CD1 3.84Å; F117-L121 HydrophobicContact CE1-CD2 3.9Å; F117-L121 HydrophobicContact CE1-CG 4.02Å; F117-L121 HydrophobicContact CZ-CD2 4.25Å; F117-L121 PolarHBondContact O-N 3.44Å; C118-L121 WeakPolarHBondContact O-CB 3.45Å; C118-L121 PolarHBondContact O-N 3.49Å; K119-L121 VanDerWaalsContact C-N 3.27Å; K119-L121 PolarHBondContact O-N 3.47Å; L121-T123 PolarHBondContact O-N 2.9Å; L121-T123 VanDerWaalsContact O-N 3.16Å; L121-Y124 WeakPolarHBondContact O-CB 3.38Å; L121-Y124 PolarHBondContact O-N 3.48Å; L121-C129 VanDerWaalsContact O-CA 3.22Å; L121-C129 WeakPolarHBondContact O-CA 3.1Å; L121-C129 WeakPolarHBondContact O-CB 3.47Å
122	L	92.3	Very high	91.8	Very high	74 Å²	74	44.4 Å²	44.4	39%	0.387	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64	-18.8	178.3	-57.1	177.9	0	0	0	113.2	K119 R120 L133	K119-L122 WeakPolarHBondContact O-CB 3.38Å; K119-L122 VanDerWaalsContact O-CG 3.25Å; K119-L122 WeakPolarHBondContact O-CG 3.2Å; K119-L122 PolarHBondContact O-N 3.18Å; K119-L122 VanDerWaalsContact O-N 3.09Å; R120-L122 PolarHBondContact O-N 3.07Å; R120-L122 VanDerWaalsContact O-N 3.15Å; L122-L133 HydrophobicContact CD2-CB 3.61Å; L122-L133 HydrophobicContact CD2-CD1 3.99Å; L122-L133 HydrophobicContact CD2-CG 4.36Å
123	T	91.8	Very high	91.5	Very high	125 Å²	125	42.9 Å²	42.9	77%	0.767	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-91.1	-8.5	175.1	66.4	0	0	0	0	113.5	R120 L121	R120-T123 PolarHBondContact O-N 3.24Å; R120-T123 PolarHBondContact O-OG1 3.32Å; L121-T123 PolarHBondContact O-N 2.9Å; L121-T123 VanDerWaalsContact O-N 3.16Å
124	Y	90.1	Very high	91.2	Very high	43 Å²	43	40.7 Å²	40.7	17%	0.169	21%	0.21	C	C	.	.	S	Bend	trans	-79	159.4	-179.5	-78	-122.9	0	0	0	110.9	I89 R120 L121 Y128 C129	I89-Y124 HydrophobicContact CD1-CE1 4.25Å; R120-Y124 WeakPolarHBondContact O-CD2 3.24Å; L121-Y124 WeakPolarHBondContact O-CB 3.38Å; L121-Y124 PolarHBondContact O-N 3.48Å; Y124-Y128 HydrophobicContact CD1-CG 4.47Å; Y124-C129 VanDerWaalsContact O-CB 3.27Å; Y124-C129 WeakPolarHBondContact O-CB 3.47Å; Y124-C129 PolarHBondContact O-SG 2.89Å
125	P	88.6	Confident	91	Very high	76 Å²	76	41.2 Å²	41.2	49%	0.494	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-61.4	159.9	170.7	27.1	-35.7	0	0	0	111.8	Y128	P125-Y128 HydrophobicContact CG-CD2 4.41Å; P125-Y128 WeakPolarHBondContact O-CB 3.37Å; P125-Y128 WeakPolarHBondContact O-CD2 3.43Å; P125-Y128 PolarHBondContact O-N 3.45Å
126	Q	82.9	Confident	90.9	Very high	89 Å²	89	39.7 Å²	39.7	42%	0.416	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	139.3	166.7	-162.6	171.6	29.5	0	0	109.1	A451 G452	Q126-A451 VanDerWaalsContact CD-O 3.27Å; Q126-A451 PolarHBondContact NE2-O 3.44Å; Q126-G452 PolarHBondContact NE2-O 3.11Å; Q126-G452 VanDerWaalsContact NE2-O 3.12Å
127	P	86.1	Confident	90.7	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.019	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	-7	8	34	-35.2	0	0	0	116.2	I90 C129 T130 V131 A792 I795	I90-P127 HydrophobicContact CD1-CG 3.84Å; P127-C129 VanDerWaalsContact C-N 3.31Å; P127-C129 PolarHBondContact O-N 3.03Å; P127-T130 PolarHBondContact O-N 3.25Å; P127-T130 VanDerWaalsContact O-N 3.07Å; P127-V131 PolarHBondContact O-N 3.23Å; P127-A792 WeakPolarHBondContact CB-O 3.32Å; P127-A792 HydrophobicContact CG-CB 4.19Å; P127-A792 WeakPolarHBondContact CG-O 3.31Å; P127-I795 HydrophobicContact CG-CG1 4.1Å
128	Y	89.7	Confident	90.5	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-40.2	-173.3	-57.5	-85	0	0	0	113.2	R86 I89 I90 Y124 P125 G132	R86-Y128 HydrophobicContact CB-CE1 4.24Å; R86-Y128 WeakPolarHBondContact O-CE1 3.46Å; R86-Y128 PolarHBondContact O-OH 2.91Å; I89-Y128 HydrophobicContact CB-CD1 4.37Å; I89-Y128 HydrophobicContact CB-CE1 4.24Å; I89-Y128 HydrophobicContact CG2-CD1 4.27Å; I90-Y128 HydrophobicContact CD1-CD1 3.75Å; I90-Y128 HydrophobicContact CD1-CE1 3.75Å; I90-Y128 HydrophobicContact CD1-CG 4.36Å; I90-Y128 HydrophobicContact CG1-CD1 3.78Å; I90-Y128 HydrophobicContact CG1-CE1 3.85Å; Y124-Y128 HydrophobicContact CD1-CG 4.47Å; P125-Y128 HydrophobicContact CG-CD2 4.41Å; P125-Y128 WeakPolarHBondContact O-CB 3.37Å; P125-Y128 WeakPolarHBondContact O-CD2 3.43Å; P125-Y128 PolarHBondContact O-N 3.45Å; Y128-G132 WeakPolarHBondContact O-CA 3.41Å; Y128-G132 PolarHBondContact O-N 3.32Å
129	C	89.3	Confident	90.5	Very high	32 Å²	32	45.1 Å²	45.1	22%	0.216	23%	0.225	C	C	.	.	H	α-helix	trans	-71.3	-33.1	177.2	57.1	0	0	0	0	113.9	L121 Y124 P127 L133	L121-C129 VanDerWaalsContact O-CA 3.22Å; L121-C129 WeakPolarHBondContact O-CA 3.1Å; L121-C129 WeakPolarHBondContact O-CB 3.47Å; Y124-C129 VanDerWaalsContact O-CB 3.27Å; Y124-C129 WeakPolarHBondContact O-CB 3.47Å; Y124-C129 PolarHBondContact O-SG 2.89Å; P127-C129 VanDerWaalsContact C-N 3.31Å; P127-C129 PolarHBondContact O-N 3.03Å; C129-L133 VanDerWaalsContact O-CB 3.24Å; C129-L133 WeakPolarHBondContact O-CB 3.33Å; C129-L133 PolarHBondContact O-N 3.42Å
130	T	87.3	Confident	90.4	Very high	21 Å²	21	44.5 Å²	44.5	13%	0.129	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-50.9	173.1	-60.1	0	0	0	0	110.6	P127 L133 S134 G452	P127-T130 PolarHBondContact O-N 3.25Å; P127-T130 VanDerWaalsContact O-N 3.07Å; T130-L133 PolarHBondContact O-N 2.83Å; T130-S134 PolarHBondContact O-N 3.26Å; T130-G452 VanDerWaalsContact CG2-O 3.23Å; T130-G452 WeakPolarHBondContact CG2-O 3.32Å; T130-G452 PolarHBondContact OG1-O 3.4Å; T130-G452 VanDerWaalsContact OG1-O 3.06Å
131	V	89.5	Confident	90.3	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-45.2	178.8	177.2	0	0	0	0	110.1	L93 P127 L133 S134 Y135 Q591	L93-V131 HydrophobicContact CD1-CG1 4.37Å; P127-V131 PolarHBondContact O-N 3.23Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 3.23Å; V131-S134 PolarHBondContact O-N 2.79Å; V131-Y135 HydrophobicContact CG1-CD2 3.71Å; V131-Y135 HydrophobicContact CG1-CE2 3.55Å; V131-Y135 PolarHBondContact O-N 3.47Å; V131-Q591 HydrophobicContact CG2-CG 4.07Å
132	G	91.4	Very high	90.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-40.2	174.9	0	0	0	0	0	113.3	Y128 T136	Y128-G132 WeakPolarHBondContact O-CA 3.41Å; Y128-G132 PolarHBondContact O-N 3.32Å; G132-T136 WeakPolarHBondContact O-CB 3.24Å; G132-T136 PolarHBondContact O-N 3.43Å; G132-T136 PolarHBondContact O-OG1 3.31Å
133	L	90.1	Very high	90.3	Very high	58 Å²	58	41.8 Å²	41.8	30%	0.304	21%	0.211	S	C	.	.	H	α-helix	trans	-67.8	-40.3	176.5	-176.5	57.6	0	0	0	112.6	L122 C129 T130 V131 R137 M456	L122-L133 HydrophobicContact CD2-CB 3.61Å; L122-L133 HydrophobicContact CD2-CD1 3.99Å; L122-L133 HydrophobicContact CD2-CG 4.36Å; C129-L133 VanDerWaalsContact O-CB 3.24Å; C129-L133 WeakPolarHBondContact O-CB 3.33Å; C129-L133 PolarHBondContact O-N 3.42Å; T130-L133 PolarHBondContact O-N 2.83Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 3.23Å; L133-R137 WeakPolarHBondContact O-CG 3.19Å; L133-R137 PolarHBondContact O-N 2.82Å; L133-M456 HydrophobicContact CD2-CE 3.67Å; L133-M456 HydrophobicContact CD2-SD 4.4Å; L133-M456 HydrophobicContact CG-CE 4.12Å
134	S	88.9	Confident	90.2	Very high	22 Å²	22	40.8 Å²	40.8	15%	0.154	20%	0.196	C	C	.	.	H	α-helix	trans	-60.9	-52.2	175.3	-169.8	0	0	0	0	110.9	T130 V131 R137 Q138	T130-S134 PolarHBondContact O-N 3.26Å; V131-S134 PolarHBondContact O-N 2.79Å; S134-R137 WeakPolarHBondContact O-CB 3.4Å; S134-R137 PolarHBondContact O-N 3.25Å; S134-R137 VanDerWaalsContact O-N 3.17Å; S134-Q138 PolarHBondContact O-N 2.96Å
135	Y	92.5	Very high	90.3	Very high	15 Å²	15	39.3 Å²	39.3	6%	0.059	19%	0.191	C	C	.	.	H	α-helix	trans	-72.1	-30.2	-179.5	-62.8	-27.3	0	0	0	113.6	L93 H94 M97 V131 R137 Q138 I139	L93-Y135 HydrophobicContact CB-CD2 4.29Å; L93-Y135 HydrophobicContact CB-CE2 4.2Å; H94-Y135 AromaticContact CE1-CE2 3.36Å; H94-Y135 WeakPolarHBondContact CE1-CE2 3.21Å; H94-Y135 AromaticContact CE1-CZ 2.98Å; H94-Y135 PolarHBondContact CE1-OH 3.08Å; H94-Y135 AromaticContact ND1-CE2 3.89Å; H94-Y135 AromaticContact ND1-CZ 3.75Å; H94-Y135 PolarHBondContact ND1-OH 2.79Å; H94-Y135 AromaticContact NE2-CZ 3.94Å; H94-Y135 PolarHBondContact NE2-OH 3.39Å; M97-Y135 HydrophobicContact CB-CE1 4.31Å; M97-Y135 HydrophobicContact CE-CD1 3.85Å; M97-Y135 HydrophobicContact CE-CE1 4.28Å; M97-Y135 HydrophobicContact CE-CG 4.33Å; M97-Y135 HydrophobicContact CG-CD1 3.73Å; M97-Y135 HydrophobicContact CG-CD2 3.66Å; M97-Y135 HydrophobicContact CG-CE1 3.69Å; M97-Y135 HydrophobicContact CG-CE2 3.62Å; M97-Y135 HydrophobicContact CG-CG 3.72Å; M97-Y135 HydrophobicContact SD-CD1 3.96Å; M97-Y135 HydrophobicContact SD-CD2 4.29Å; M97-Y135 HydrophobicContact SD-CE1 4.47Å; M97-Y135 HydrophobicContact SD-CG 3.86Å; V131-Y135 HydrophobicContact CG1-CD2 3.71Å; V131-Y135 HydrophobicContact CG1-CE2 3.55Å; V131-Y135 PolarHBondContact O-N 3.47Å; Y135-R137 VanDerWaalsContact C-N 3.25Å; Y135-R137 PolarHBondContact O-N 3.39Å; Y135-Q138 VanDerWaalsContact CD1-OE1 3.32Å; Y135-Q138 PolarHBondContact O-N 2.93Å; Y135-I139 VanDerWaalsContact O-CB 3.24Å; Y135-I139 WeakPolarHBondContact O-CB 3.35Å; Y135-I139 VanDerWaalsContact O-CG1 3.27Å; Y135-I139 WeakPolarHBondContact O-CG1 3.41Å; Y135-I139 PolarHBondContact O-N 2.93Å
136	T	93.7	Very high	90.5	Very high	14 Å²	14	36.6 Å²	36.6	9%	0.086	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-39	169.2	-62.3	0	0	0	0	111.4	Y115 C118 K119 G132 K140	Y115-T136 HydrophobicContact CD2-CG2 3.94Å; Y115-T136 HydrophobicContact CE2-CG2 3.53Å; C118-T136 WeakPolarHBondContact CB-OG1 3.34Å; C118-T136 PolarHBondContact O-OG1 2.92Å; K119-T136 HydrophobicContact CG-CG2 4.22Å; K119-T136 PolarHBondContact N-OG1 2.65Å; G132-T136 WeakPolarHBondContact O-CB 3.24Å; G132-T136 PolarHBondContact O-N 3.43Å; G132-T136 PolarHBondContact O-OG1 3.31Å; T136-K140 WeakPolarHBondContact O-CB 3.45Å; T136-K140 PolarHBondContact O-N 2.97Å; T136-K140 VanDerWaalsContact O-N 3.11Å
137	R	90.9	Very high	90.9	Very high	120 Å²	120	32.4 Å²	32.4	45%	0.453	15%	0.154	S	C	.	.	H	α-helix	trans	-72.2	-50.5	177.4	-70.8	173.2	175.5	-145.9	-2.9	111.8	L133 S134 Y135 K140 T141 M456	L133-R137 WeakPolarHBondContact O-CG 3.19Å; L133-R137 PolarHBondContact O-N 2.82Å; S134-R137 WeakPolarHBondContact O-CB 3.4Å; S134-R137 PolarHBondContact O-N 3.25Å; S134-R137 VanDerWaalsContact O-N 3.17Å; Y135-R137 VanDerWaalsContact C-N 3.25Å; Y135-R137 PolarHBondContact O-N 3.39Å; R137-K140 WeakPolarHBondContact O-CB 3.25Å; R137-K140 PolarHBondContact O-N 3.24Å; R137-T141 PolarHBondContact O-N 3.24Å; R137-T141 PolarHBondContact O-OG1 3.33Å; R137-M456 VanDerWaalsContact NH2-CE 3.26Å
138	Q	91.8	Very high	91.3	Very high	69 Å²	69	32.4 Å²	32.4	32%	0.322	15%	0.154	S	C	.	.	H	α-helix	trans	-57.9	-52	-180	-70.6	179.4	2.2	0	0	111.4	M97 S134 Y135 K140 T141 E142 M149	M97-Q138 HydrophobicContact CE-CB 4.24Å; S134-Q138 PolarHBondContact O-N 2.96Å; Y135-Q138 VanDerWaalsContact CD1-OE1 3.32Å; Y135-Q138 PolarHBondContact O-N 2.93Å; Q138-K140 VanDerWaalsContact C-N 3.31Å; Q138-K140 PolarHBondContact O-N 3.47Å; Q138-T141 PolarHBondContact O-N 3.45Å; Q138-E142 WeakPolarHBondContact O-CB 3.44Å; Q138-E142 PolarHBondContact O-N 3.41Å; Q138-M149 HydrophobicContact CB-CE 3.97Å; Q138-M149 HydrophobicContact CB-SD 3.86Å; Q138-M149 HydrophobicContact CG-CE 4.23Å
139	I	94.1	Very high	91.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-31.7	178.5	-63.8	-62.5	0	0	0	112.4	M97 I100 Y111 V114 Y135 R143	M97-I139 HydrophobicContact CE-CD1 3.73Å; M97-I139 HydrophobicContact CE-CG1 4.04Å; M97-I139 HydrophobicContact SD-CD1 3.69Å; M97-I139 HydrophobicContact SD-CG1 3.82Å; I100-I139 HydrophobicContact CD1-CD1 3.56Å; I100-I139 HydrophobicContact CG2-CD1 4.05Å; Y111-I139 HydrophobicContact CD1-CG2 4.3Å; V114-I139 HydrophobicContact CB-CG2 4.36Å; V114-I139 HydrophobicContact CG1-CD1 4.16Å; V114-I139 HydrophobicContact CG1-CG1 3.87Å; V114-I139 HydrophobicContact CG1-CG2 4.17Å; Y135-I139 VanDerWaalsContact O-CB 3.24Å; Y135-I139 WeakPolarHBondContact O-CB 3.35Å; Y135-I139 VanDerWaalsContact O-CG1 3.27Å; Y135-I139 WeakPolarHBondContact O-CG1 3.41Å; Y135-I139 PolarHBondContact O-N 2.93Å; I139-R143 WeakPolarHBondContact O-CB 3.36Å; I139-R143 PolarHBondContact O-N 3.08Å
140	K	92.1	Very high	91.7	Very high	65 Å²	65	32 Å²	32	28%	0.283	15%	0.15	S	C	.	.	H	α-helix	trans	-61.7	-54	171.1	-174	-172.4	174.3	-162.4	0	110	Y115 T136 R137 Q138 R143 F144 Y261	Y115-K140 HydrophobicContact CD2-CB 4.32Å; Y115-K140 HydrophobicContact CE2-CB 3.81Å; Y115-K140 HydrophobicContact CE2-CG 4.24Å; T136-K140 WeakPolarHBondContact O-CB 3.45Å; T136-K140 PolarHBondContact O-N 2.97Å; T136-K140 VanDerWaalsContact O-N 3.11Å; R137-K140 WeakPolarHBondContact O-CB 3.25Å; R137-K140 PolarHBondContact O-N 3.24Å; Q138-K140 VanDerWaalsContact C-N 3.31Å; Q138-K140 PolarHBondContact O-N 3.47Å; K140-R143 PolarHBondContact O-N 3.5Å; K140-F144 HydrophobicContact CG-CD2 4.18Å; K140-F144 HydrophobicContact CG-CE2 4.1Å; K140-F144 VanDerWaalsContact O-CD2 3.26Å; K140-F144 WeakPolarHBondContact O-CD2 3.2Å; K140-F144 PolarHBondContact O-N 3.44Å; K140-Y261 HydrophobicContact CD-CE1 4.35Å; K140-Y261 HydrophobicContact CG-CE1 4.29Å
141	T	90.8	Very high	92	Very high	36 Å²	36	31 Å²	31	22%	0.221	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-47.9	-177.5	-51.4	0	0	0	0	111.4	R137 Q138 R143 F144 I145 L148 Y261	R137-T141 PolarHBondContact O-N 3.24Å; R137-T141 PolarHBondContact O-OG1 3.33Å; Q138-T141 PolarHBondContact O-N 3.45Å; T141-R143 VanDerWaalsContact C-N 3.27Å; T141-R143 PolarHBondContact O-N 2.94Å; T141-F144 PolarHBondContact O-N 3.23Å; T141-I145 PolarHBondContact O-N 2.75Å; T141-L148 HydrophobicContact CG2-CD2 3.48Å; T141-L148 VanDerWaalsContact CG2-CD2 3.48Å; T141-Y261 PolarHBondContact OG1-OH 2.96Å
142	E	93.3	Very high	92.2	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.014	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-35.8	179.5	-171.2	63.9	-168.1	0	0	112.6	Y111 Q138 F144 I145 P146 G147 L148 M149	Y111-E142 HydrophobicContact CE1-CB 4.47Å; Y111-E142 HydrophobicContact CE1-CG 3.92Å; Q138-E142 WeakPolarHBondContact O-CB 3.44Å; Q138-E142 PolarHBondContact O-N 3.41Å; E142-F144 VanDerWaalsContact C-N 3.31Å; E142-F144 PolarHBondContact O-N 3.39Å; E142-I145 CarbonylContact O-C 3.55Å; E142-I145 PolarHBondContact O-N 2.98Å; E142-P146 VanDerWaalsContact O-CA 3.26Å; E142-P146 WeakPolarHBondContact O-CA 3.24Å; E142-P146 VanDerWaalsContact O-N 3.14Å; E142-G147 WeakPolarHBondContact OE1-CA 3.42Å; E142-G147 PolarHBondContact OE1-N 3.28Å; E142-L148 PolarHBondContact OE2-N 3.31Å; E142-M149 HydrophobicContact CB-CG 4.19Å; E142-M149 HydrophobicContact CB-SD 3.99Å; E142-M149 HydrophobicContact CG-CG 4.3Å; E142-M149 HydrophobicContact CG-SD 4.18Å; E142-M149 VanDerWaalsContact OE2-CB 3.29Å; E142-M149 WeakPolarHBondContact OE2-CB 3.38Å; E142-M149 WeakPolarHBondContact OE2-CG 3.3Å; E142-M149 PolarHBondContact OE2-N 3.49Å
143	R	91.8	Very high	92.2	Very high	72 Å²	72	35.4 Å²	35.4	27%	0.272	16%	0.162	S	C	.	.	H	α-helix	trans	-67.3	-29.6	175.1	-176.3	-177.3	-178.2	-119.4	-24.6	113.3	D108 Y111 I139 K140 T141	D108-R143 VanDerWaalsContact CG-NH2 3.27Å; D108-R143 IonicContact OD1-CZ 2.77Å; D108-R143 IonicContact OD1-NE 3.25Å; D108-R143 PolarHBondContact OD1-NE 2.87Å; D108-R143 IonicContact OD1-NH2 3.7Å; D108-R143 PolarHBondContact OD1-NH2 3.38Å; D108-R143 IonicContact OD2-CZ 3.42Å; D108-R143 IonicContact OD2-NH2 3.01Å; D108-R143 PolarHBondContact OD2-NH2 2.91Å; Y111-R143 HydrophobicContact CD1-CB 4.31Å; Y111-R143 HydrophobicContact CD2-CB 4.34Å; Y111-R143 HydrophobicContact CD2-CG 4.18Å; Y111-R143 HydrophobicContact CG-CB 4Å; Y111-R143 HydrophobicContact CG-CG 4.02Å; I139-R143 WeakPolarHBondContact O-CB 3.36Å; I139-R143 PolarHBondContact O-N 3.08Å; K140-R143 PolarHBondContact O-N 3.5Å; T141-R143 VanDerWaalsContact C-N 3.27Å; T141-R143 PolarHBondContact O-N 2.94Å
144	F	89.4	Confident	92.3	Very high	104 Å²	104	32.7 Å²	32.7	46%	0.456	15%	0.148	S	C	.	.	H	α-helix	trans	-88.1	-28.1	176.2	-81.3	-79	0	0	0	112.6	K140 T141 E142 Y261	K140-F144 HydrophobicContact CG-CD2 4.18Å; K140-F144 HydrophobicContact CG-CE2 4.1Å; K140-F144 VanDerWaalsContact O-CD2 3.26Å; K140-F144 WeakPolarHBondContact O-CD2 3.2Å; K140-F144 PolarHBondContact O-N 3.44Å; T141-F144 PolarHBondContact O-N 3.23Å; E142-F144 VanDerWaalsContact C-N 3.31Å; E142-F144 PolarHBondContact O-N 3.39Å; F144-Y261 HydrophobicContact CB-CD1 4.23Å; F144-Y261 HydrophobicContact CB-CE1 4.18Å; F144-Y261 HydrophobicContact CD1-CD1 4.03Å; F144-Y261 AromaticContact CD2-CD1 3.4Å; F144-Y261 HydrophobicContact CD2-CD1 3.4Å; F144-Y261 VanDerWaalsContact CD2-CD1 3.4Å; F144-Y261 AromaticContact CD2-CE1 3.36Å; F144-Y261 HydrophobicContact CD2-CE1 3.36Å; F144-Y261 HydrophobicContact CE1-CD1 4.21Å; F144-Y261 AromaticContact CE2-CD1 3.63Å; F144-Y261 HydrophobicContact CE2-CD1 3.63Å; F144-Y261 AromaticContact CE2-CE1 3.84Å; F144-Y261 HydrophobicContact CE2-CE1 3.84Å; F144-Y261 AromaticContact CG-CD1 3.63Å; F144-Y261 HydrophobicContact CG-CD1 3.63Å; F144-Y261 AromaticContact CG-CE1 3.85Å; F144-Y261 HydrophobicContact CG-CE1 3.85Å; F144-Y261 HydrophobicContact CZ-CD1 4.03Å
145	I	92.3	Very high	92.4	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.062	14%	0.14	C	C	.	.	S	Bend	trans	-135	79.3	-177.2	-50.1	177.6	0	0	0	108	T141 E142 L148 L253 C256 V257 L268	T141-I145 PolarHBondContact O-N 2.75Å; E142-I145 CarbonylContact O-C 3.55Å; E142-I145 PolarHBondContact O-N 2.98Å; I145-L148 HydrophobicContact CB-CB 4.28Å; I145-L148 HydrophobicContact CB-CD2 4.39Å; I145-L148 HydrophobicContact CD1-CD2 4.46Å; I145-L148 HydrophobicContact CG2-CB 3.97Å; I145-L148 HydrophobicContact CG2-CD1 4.39Å; I145-L148 HydrophobicContact CG2-CD2 4.44Å; I145-L148 HydrophobicContact CG2-CG 4.5Å; I145-L148 VanDerWaalsContact O-CB 3.28Å; I145-L148 WeakPolarHBondContact O-CB 3.42Å; I145-L148 PolarHBondContact O-N 3.33Å; I145-L253 HydrophobicContact CG2-CD2 3.37Å; I145-C256 HydrophobicContact CD1-CB 3.84Å; I145-C256 HydrophobicContact CG1-CB 4.35Å; I145-V257 HydrophobicContact CD1-CB 4.45Å; I145-V257 HydrophobicContact CD1-CG2 3.55Å; I145-L268 HydrophobicContact CB-CD2 4.37Å; I145-L268 HydrophobicContact CG2-CD2 3.91Å
146	P	92.6	Very high	92.3	Very high	20 Å²	20	31 Å²	31	13%	0.13	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	138.1	-176.7	-24.1	36	0	0	0	112.6	E142 L148 A219	E142-P146 VanDerWaalsContact O-CA 3.26Å; E142-P146 WeakPolarHBondContact O-CA 3.24Å; E142-P146 VanDerWaalsContact O-N 3.14Å; P146-L148 VanDerWaalsContact C-N 3.34Å; P146-A219 HydrophobicContact CB-CB 3.91Å; P146-A219 VanDerWaalsContact CB-O 3.3Å; P146-A219 WeakPolarHBondContact CB-O 3.16Å
147	G	92.4	Very high	92.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-5.7	-177.4	0	0	0	0	0	114.7	E142 M149 Y150 Q151	E142-G147 WeakPolarHBondContact OE1-CA 3.42Å; E142-G147 PolarHBondContact OE1-N 3.28Å; G147-M149 PolarHBondContact O-N 3.27Å; G147-Y150 PolarHBondContact O-N 3.48Å; G147-Q151 WeakPolarHBondContact O-CB 3.19Å; G147-Q151 PolarHBondContact O-N 3.47Å
148	L	93.2	Very high	92.2	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-42.4	-179.6	-176.3	73.3	0	0	0	112.1	T141 E142 I145 P146 Y150 Q151 R152 L253 V257	T141-L148 HydrophobicContact CG2-CD2 3.48Å; T141-L148 VanDerWaalsContact CG2-CD2 3.48Å; E142-L148 PolarHBondContact OE2-N 3.31Å; I145-L148 HydrophobicContact CB-CB 4.28Å; I145-L148 HydrophobicContact CB-CD2 4.39Å; I145-L148 HydrophobicContact CD1-CD2 4.46Å; I145-L148 HydrophobicContact CG2-CB 3.97Å; I145-L148 HydrophobicContact CG2-CD1 4.39Å; I145-L148 HydrophobicContact CG2-CD2 4.44Å; I145-L148 HydrophobicContact CG2-CG 4.5Å; I145-L148 VanDerWaalsContact O-CB 3.28Å; I145-L148 WeakPolarHBondContact O-CB 3.42Å; I145-L148 PolarHBondContact O-N 3.33Å; P146-L148 VanDerWaalsContact C-N 3.34Å; L148-Y150 VanDerWaalsContact C-N 3.34Å; L148-Y150 PolarHBondContact O-N 3.36Å; L148-Q151 PolarHBondContact O-N 3.32Å; L148-R152 HydrophobicContact CD1-CG 4.23Å; L148-R152 HydrophobicContact CG-CG 4.38Å; L148-R152 WeakPolarHBondContact O-CB 3.29Å; L148-R152 WeakPolarHBondContact O-CG 3.49Å; L148-R152 PolarHBondContact O-N 3.11Å; L148-L253 HydrophobicContact CD1-CB 3.96Å; L148-L253 HydrophobicContact CD1-CD1 4.39Å; L148-V257 HydrophobicContact CD1-CG2 4.24Å; L148-V257 HydrophobicContact CD2-CG2 3.77Å
149	M	93.1	Very high	91.9	Very high	33 Å²	33	26 Å²	26	16%	0.163	12%	0.118	C	C	.	.	H	α-helix	trans	-62.8	-40.5	178.4	-76	-173.8	72.7	0	0	112.2	M97 I101 Q138 E142 G147 M153	M97-M149 HydrophobicContact CE-CE 3.75Å; M97-M149 HydrophobicContact CE-SD 4.22Å; I101-M149 HydrophobicContact CD1-CE 3.71Å; I101-M149 HydrophobicContact CG1-CB 4.29Å; I101-M149 HydrophobicContact CG1-CE 3.85Å; Q138-M149 HydrophobicContact CB-CE 3.97Å; Q138-M149 HydrophobicContact CB-SD 3.86Å; Q138-M149 HydrophobicContact CG-CE 4.23Å; E142-M149 HydrophobicContact CB-CG 4.19Å; E142-M149 HydrophobicContact CB-SD 3.99Å; E142-M149 HydrophobicContact CG-CG 4.3Å; E142-M149 HydrophobicContact CG-SD 4.18Å; E142-M149 VanDerWaalsContact OE2-CB 3.29Å; E142-M149 WeakPolarHBondContact OE2-CB 3.38Å; E142-M149 WeakPolarHBondContact OE2-CG 3.3Å; E142-M149 PolarHBondContact OE2-N 3.49Å; G147-M149 PolarHBondContact O-N 3.27Å; M149-M153 VanDerWaalsContact O-CB 3.26Å; M149-M153 WeakPolarHBondContact O-CB 3.42Å; M149-M153 PolarHBondContact O-N 3.13Å
150	Y	94.4	Very high	91.5	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-52.1	174.8	-175.6	-87.6	0	0	0	110.4	I101 G147 L148 R152 M153 I154 V212 H215 C296 P297 I298	I101-Y150 HydrophobicContact CG2-CD2 4.36Å; I101-Y150 WeakPolarHBondContact O-CD2 3.48Å; G147-Y150 PolarHBondContact O-N 3.48Å; L148-Y150 VanDerWaalsContact C-N 3.34Å; L148-Y150 PolarHBondContact O-N 3.36Å; Y150-R152 PolarHBondContact O-N 3.25Å; Y150-M153 PolarHBondContact O-N 2.77Å; Y150-I154 HydrophobicContact CD1-CG1 3.96Å; Y150-I154 HydrophobicContact CD2-CG1 4.44Å; Y150-I154 HydrophobicContact CE1-CG1 3.66Å; Y150-I154 HydrophobicContact CE2-CD1 4.45Å; Y150-I154 HydrophobicContact CE2-CG1 4.19Å; Y150-I154 HydrophobicContact CG-CG1 4.34Å; Y150-I154 WeakPolarHBondContact O-CG1 3.47Å; Y150-I154 PolarHBondContact O-N 3.1Å; Y150-V212 HydrophobicContact CD1-CG2 4.39Å; Y150-V212 HydrophobicContact CE1-CG2 4.17Å; Y150-H215 WeakPolarHBondContact CB-ND1 3.45Å; Y150-H215 HydrophobicContact CD1-CB 3.59Å; Y150-H215 AromaticContact CD1-CG 3.59Å; Y150-H215 AromaticContact CD1-ND1 3.78Å; Y150-H215 AromaticContact CD2-CD2 3.87Å; Y150-H215 AromaticContact CD2-CG 3.96Å; Y150-H215 HydrophobicContact CE1-CB 3.62Å; Y150-H215 AromaticContact CE1-CG 3.97Å; Y150-H215 HydrophobicContact CG-CB 4.13Å; Y150-H215 AromaticContact CG-CD2 3.97Å; Y150-H215 AromaticContact CG-CE1 3.87Å; Y150-H215 AromaticContact CG-CG 3.59Å; Y150-H215 AromaticContact CG-ND1 3.52Å; Y150-C296 HydrophobicContact CE2-CB 4.41Å; Y150-C296 WeakPolarHBondContact CE2-O 3.21Å; Y150-C296 PolarHBondContact OH-O 3.45Å; Y150-P297 PolarHBondContact OH-O 3.24Å; Y150-I298 HydrophobicContact CD2-CG1 4.4Å; Y150-I298 HydrophobicContact CE2-CG1 4.06Å
151	Q	93.8	Very high	91	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54.4	-52.4	-179.7	173.8	-85.6	-46	0	0	111.8	G147 L148 M153 I154 T155 V212 L250 L253	G147-Q151 WeakPolarHBondContact O-CB 3.19Å; G147-Q151 PolarHBondContact O-N 3.47Å; L148-Q151 PolarHBondContact O-N 3.32Å; Q151-M153 PolarHBondContact O-N 3.12Å; Q151-I154 PolarHBondContact O-N 2.91Å; Q151-T155 PolarHBondContact NE2-OG1 3.13Å; Q151-T155 WeakPolarHBondContact O-CB 3.28Å; Q151-T155 PolarHBondContact O-N 2.97Å; Q151-T155 PolarHBondContact O-OG1 2.93Å; Q151-V212 HydrophobicContact CB-CG1 3.86Å; Q151-V212 HydrophobicContact CG-CG1 3.61Å; Q151-L250 HydrophobicContact CG-CD1 3.61Å; Q151-L250 HydrophobicContact CG-CG 4.13Å; Q151-L253 HydrophobicContact CB-CD1 3.87Å; Q151-L253 HydrophobicContact CG-CD1 3.73Å
152	R	92.9	Very high	90.5	Very high	60 Å²	60	29.1 Å²	29.1	23%	0.226	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-41.3	-179	-73	-177	167.4	-178.3	-7	112.4	L148 Y150 A156 Y165 E254	L148-R152 HydrophobicContact CD1-CG 4.23Å; L148-R152 HydrophobicContact CG-CG 4.38Å; L148-R152 WeakPolarHBondContact O-CB 3.29Å; L148-R152 WeakPolarHBondContact O-CG 3.49Å; L148-R152 PolarHBondContact O-N 3.11Å; Y150-R152 PolarHBondContact O-N 3.25Å; R152-A156 WeakPolarHBondContact O-CB 3.26Å; R152-A156 PolarHBondContact O-N 3.14Å; R152-A156 VanDerWaalsContact O-N 3.08Å; R152-Y165 HydrophobicContact CB-CD1 4.37Å; R152-Y165 HydrophobicContact CB-CE1 3.71Å; R152-Y165 HydrophobicContact CB-CE2 4.41Å; R152-Y165 HydrophobicContact CG-CD1 4.17Å; R152-Y165 HydrophobicContact CG-CD2 4.1Å; R152-Y165 HydrophobicContact CG-CE1 3.83Å; R152-Y165 HydrophobicContact CG-CE2 3.8Å; R152-Y165 HydrophobicContact CG-CG 4.3Å; R152-E254 IonicContact CZ-OE1 2.95Å; R152-E254 VanDerWaalsContact CZ-OE1 3.26Å; R152-E254 IonicContact CZ-OE2 3.18Å; R152-E254 IonicContact NE-OE1 3.85Å; R152-E254 PolarHBondContact NE-OE1 2.97Å; R152-E254 IonicContact NE-OE2 3.69Å; R152-E254 IonicContact NH2-OE1 3.68Å; R152-E254 PolarHBondContact NH2-OE1 3.21Å; R152-E254 IonicContact NH2-OE2 3.64Å; R152-E254 PolarHBondContact NH2-OE2 3.2Å
153	M	92.6	Very high	89.8	Confident	36 Å²	36	36.1 Å²	36.1	18%	0.177	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-56.4	176.9	-179.9	179.4	-67.1	0	0	111.3	I101 M149 Y150 Q151 T155 A156 E157 I298 R587	I101-M153 HydrophobicContact CD1-CE 3.73Å; I101-M153 HydrophobicContact CG2-CE 4.09Å; I101-M153 HydrophobicContact CG2-SD 4.12Å; M149-M153 VanDerWaalsContact O-CB 3.26Å; M149-M153 WeakPolarHBondContact O-CB 3.42Å; M149-M153 PolarHBondContact O-N 3.13Å; Y150-M153 PolarHBondContact O-N 2.77Å; Q151-M153 PolarHBondContact O-N 3.12Å; M153-T155 VanDerWaalsContact C-N 3.34Å; M153-T155 PolarHBondContact O-N 3.45Å; M153-A156 PolarHBondContact O-N 3.21Å; M153-E157 HydrophobicContact CG-CG 4.4Å; M153-E157 VanDerWaalsContact CG-OE2 3.25Å; M153-E157 WeakPolarHBondContact CG-OE2 3.49Å; M153-E157 VanDerWaalsContact O-CB 3.26Å; M153-E157 WeakPolarHBondContact O-CB 3.43Å; M153-E157 WeakPolarHBondContact O-CG 3.31Å; M153-E157 PolarHBondContact O-N 2.66Å; M153-I298 HydrophobicContact SD-CG2 3.98Å; M153-R587 HydrophobicContact CE-CG 4.44Å
154	I	92.3	Very high	89.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-40.3	-176.5	-56.3	-43.8	0	0	0	110.9	Y150 Q151 A156 Q158 L160 H208 V212 I298 P299	Y150-I154 HydrophobicContact CD1-CG1 3.96Å; Y150-I154 HydrophobicContact CD2-CG1 4.44Å; Y150-I154 HydrophobicContact CE1-CG1 3.66Å; Y150-I154 HydrophobicContact CE2-CD1 4.45Å; Y150-I154 HydrophobicContact CE2-CG1 4.19Å; Y150-I154 HydrophobicContact CG-CG1 4.34Å; Y150-I154 WeakPolarHBondContact O-CG1 3.47Å; Y150-I154 PolarHBondContact O-N 3.1Å; Q151-I154 PolarHBondContact O-N 2.91Å; I154-A156 PolarHBondContact O-N 3.35Å; I154-Q158 HydrophobicContact CG2-CG 3.93Å; I154-Q158 VanDerWaalsContact O-CB 3.24Å; I154-Q158 WeakPolarHBondContact O-CB 3.12Å; I154-Q158 WeakPolarHBondContact O-CG 3.45Å; I154-Q158 PolarHBondContact O-N 3.44Å; I154-L160 HydrophobicContact CG2-CD1 4.34Å; I154-H208 HydrophobicContact CG2-CB 3.99Å; I154-V212 HydrophobicContact CB-CG2 3.77Å; I154-V212 HydrophobicContact CG1-CG2 4.38Å; I154-V212 HydrophobicContact CG2-CG2 3.84Å; I154-I298 HydrophobicContact CD1-CG2 4.07Å; I154-P299 HydrophobicContact CD1-CG 3.87Å
155	T	90.8	Very high	89	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-48.6	178.3	-58.1	0	0	0	0	111.7	Q151 M153 K159 L160 N162 Y165 F246 L250	Q151-T155 PolarHBondContact NE2-OG1 3.13Å; Q151-T155 WeakPolarHBondContact O-CB 3.28Å; Q151-T155 PolarHBondContact O-N 2.97Å; Q151-T155 PolarHBondContact O-OG1 2.93Å; M153-T155 VanDerWaalsContact C-N 3.34Å; M153-T155 PolarHBondContact O-N 3.45Å; T155-K159 PolarHBondContact O-N 2.96Å; T155-L160 HydrophobicContact CG2-CB 4.35Å; T155-L160 PolarHBondContact O-N 3Å; T155-L160 VanDerWaalsContact O-N 3.07Å; T155-N162 HydrophobicContact CG2-CB 4.41Å; T155-N162 WeakPolarHBondContact CG2-ND2 3.36Å; T155-Y165 HydrophobicContact CG2-CD1 4.14Å; T155-F246 HydrophobicContact CG2-CZ 4.49Å; T155-L250 HydrophobicContact CG2-CD2 4.12Å
156	A	90.8	Very high	88.5	Confident	2 Å²	2	34.1 Å²	34.1	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-77.9	-40.8	-177	0	0	0	0	0	113.5	R152 M153 I154 Y165 F167 E169	R152-A156 WeakPolarHBondContact O-CB 3.26Å; R152-A156 PolarHBondContact O-N 3.14Å; R152-A156 VanDerWaalsContact O-N 3.08Å; M153-A156 PolarHBondContact O-N 3.21Å; I154-A156 PolarHBondContact O-N 3.35Å; A156-Y165 HydrophobicContact CB-CE1 4.17Å; A156-F167 WeakPolarHBondContact CA-O 3.47Å; A156-F167 HydrophobicContact CB-CB 4.45Å; A156-F167 WeakPolarHBondContact CB-O 3.33Å; A156-E169 HydrophobicContact CB-CG 4.03Å; A156-E169 PolarHBondContact O-N 3.08Å
157	E	91.8	Very high	88.2	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-77.9	-20.5	-176.5	-71.9	-175.1	153.4	0	0	113.9	M153 E169 P301 E302 K470 R587	M153-E157 HydrophobicContact CG-CG 4.4Å; M153-E157 VanDerWaalsContact CG-OE2 3.25Å; M153-E157 WeakPolarHBondContact CG-OE2 3.49Å; M153-E157 VanDerWaalsContact O-CB 3.26Å; M153-E157 WeakPolarHBondContact O-CB 3.43Å; M153-E157 WeakPolarHBondContact O-CG 3.31Å; M153-E157 PolarHBondContact O-N 2.66Å; E157-E169 HydrophobicContact CG-CB 4.17Å; E157-P301 HydrophobicContact CB-CB 3.79Å; E157-P301 HydrophobicContact CG-CB 3.93Å; E157-E302 PolarHBondContact O-N 3.45Å; E157-K470 IonicContact OE1-NZ 2.8Å; E157-R587 WeakPolarHBondContact OE1-CG 3.34Å; E157-R587 IonicContact OE1-NE 2.75Å; E157-R587 PolarHBondContact OE1-NE 3.14Å; E157-R587 IonicContact OE2-CZ 3.06Å; E157-R587 VanDerWaalsContact OE2-CZ 3.24Å; E157-R587 IonicContact OE2-NE 3.06Å; E157-R587 PolarHBondContact OE2-NE 3.44Å; E157-R587 IonicContact OE2-NH2 3.81Å; E157-R587 PolarHBondContact OE2-NH2 2.86Å
158	Q	89.1	Confident	88	Confident	36 Å²	36	35.4 Å²	35.4	17%	0.168	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	8.8	176.2	-54.9	-58.1	-32.3	0	0	113.6	I154 L160 H208 P299 N300	I154-Q158 HydrophobicContact CG2-CG 3.93Å; I154-Q158 VanDerWaalsContact O-CB 3.24Å; I154-Q158 WeakPolarHBondContact O-CB 3.12Å; I154-Q158 WeakPolarHBondContact O-CG 3.45Å; I154-Q158 PolarHBondContact O-N 3.44Å; Q158-L160 VanDerWaalsContact C-N 3.26Å; Q158-L160 HydrophobicContact CB-CD2 3.93Å; Q158-L160 HydrophobicContact CB-CG 4.11Å; Q158-L160 PolarHBondContact O-N 3.14Å; Q158-H208 PolarHBondContact OE1-CE1 3.4Å; Q158-H208 VanDerWaalsContact OE1-CE1 3.32Å; Q158-P299 HydrophobicContact CG-CG 4.35Å; Q158-N300 PolarHBondContact NE2-O 3.32Å
159	K	85.5	Confident	87.9	Confident	61 Å²	61	37.3 Å²	37.3	27%	0.265	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.3	-179.8	-160.1	-169.1	174.3	-176.1	0	112.8	T155 K161 S324	T155-K159 PolarHBondContact O-N 2.96Å; K159-K161 PolarHBondContact O-N 3.48Å; K159-S324 PolarHBondContact NZ-O 3.22Å
160	L	86.8	Confident	87.8	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.016	17%	0.17	C	C	.	.			trans	-68.4	132.2	-179.6	-55.9	-173.4	0	0	0	110.1	I154 T155 Q158 N162 P205 H208 M209 F246	I154-L160 HydrophobicContact CG2-CD1 4.34Å; T155-L160 HydrophobicContact CG2-CB 4.35Å; T155-L160 PolarHBondContact O-N 3Å; T155-L160 VanDerWaalsContact O-N 3.07Å; Q158-L160 VanDerWaalsContact C-N 3.26Å; Q158-L160 HydrophobicContact CB-CD2 3.93Å; Q158-L160 HydrophobicContact CB-CG 4.11Å; Q158-L160 PolarHBondContact O-N 3.14Å; L160-N162 PolarHBondContact O-N 3.29Å; L160-N162 PolarHBondContact O-ND2 3.34Å; L160-P205 HydrophobicContact CD2-CB 4Å; L160-H208 HydrophobicContact CD1-CB 3.99Å; L160-H208 HydrophobicContact CD2-CB 3.89Å; L160-M209 HydrophobicContact CB-CE 4.36Å; L160-M209 HydrophobicContact CD1-CG 4.14Å; L160-F246 HydrophobicContact CB-CE1 4.41Å; L160-F246 HydrophobicContact CB-CZ 3.97Å; L160-F246 HydrophobicContact CD1-CE2 3.82Å; L160-F246 HydrophobicContact CD1-CZ 3.69Å; L160-F246 HydrophobicContact CG-CZ 4.5Å
161	K	81.2	Confident	87.9	Confident	143 Å²	143	37.6 Å²	37.6	62%	0.622	17%	0.17	S	C	*	.			trans	-62.1	127.9	174.5	-69.3	-175.7	179	-177.8	0	108.7	K159 Q247	K159-K161 PolarHBondContact O-N 3.48Å; K161-Q247 PolarHBondContact O-NE2 3.41Å
162	N	81.4	Confident	87.9	Confident	19 Å²	19	38 Å²	38	10%	0.102	17%	0.172	C	C	.	.			trans	-163.1	154.9	176.2	76.2	91.9	0	0	0	110.4	T155 L160 H164 Y165 F246 L250	T155-N162 HydrophobicContact CG2-CB 4.41Å; T155-N162 WeakPolarHBondContact CG2-ND2 3.36Å; L160-N162 PolarHBondContact O-N 3.29Å; L160-N162 PolarHBondContact O-ND2 3.34Å; N162-H164 PolarHBondContact OD1-N 3.47Å; N162-Y165 PolarHBondContact ND2-O 2.87Å; N162-Y165 VanDerWaalsContact ND2-O 3.12Å; N162-Y165 WeakPolarHBondContact OD1-CA 3.21Å; N162-Y165 PolarHBondContact OD1-N 2.93Å; N162-Y165 PolarHBondContact OD1-O 3.22Å; N162-F246 HydrophobicContact CB-CE1 4.3Å; N162-L250 HydrophobicContact CB-CD2 3.49Å; N162-L250 VanDerWaalsContact CB-CD2 3.49Å
163	E	78	Confident	88.1	Confident	151 Å²	151	35.2 Å²	35.2	71%	0.706	16%	0.162	S	C	*	.	S	Bend	trans	-98.7	-25.8	179.8	-59	-171	162.8	0	0	112.8
164	H	81.3	Confident	88.2	Confident	79 Å²	79	33.7 Å²	33.7	37%	0.366	15%	0.154	S	C	.	.	S	Bend	trans	-89.5	-27.2	-168.3	-56.5	98.5	0	0	0	114.5	N162 L250 E254	N162-H164 PolarHBondContact OD1-N 3.47Å; H164-L250 HydrophobicContact CB-CB 4.4Å; H164-E254 HydrophobicContact CB-CB 4.36Å; H164-E254 HydrophobicContact CB-CG 4.21Å
165	Y	83.5	Confident	88.2	Confident	37 Å²	37	33.7 Å²	33.7	15%	0.145	15%	0.154	C	C	.	.			trans	-134.1	74.3	-177.1	-170.8	-108.5	0	0	0	111	R152 T155 A156 N162 F167 E254	R152-Y165 HydrophobicContact CB-CD1 4.37Å; R152-Y165 HydrophobicContact CB-CE1 3.71Å; R152-Y165 HydrophobicContact CB-CE2 4.41Å; R152-Y165 HydrophobicContact CG-CD1 4.17Å; R152-Y165 HydrophobicContact CG-CD2 4.1Å; R152-Y165 HydrophobicContact CG-CE1 3.83Å; R152-Y165 HydrophobicContact CG-CE2 3.8Å; R152-Y165 HydrophobicContact CG-CG 4.3Å; T155-Y165 HydrophobicContact CG2-CD1 4.14Å; A156-Y165 HydrophobicContact CB-CE1 4.17Å; N162-Y165 PolarHBondContact ND2-O 2.87Å; N162-Y165 VanDerWaalsContact ND2-O 3.12Å; N162-Y165 WeakPolarHBondContact OD1-CA 3.21Å; N162-Y165 PolarHBondContact OD1-N 2.93Å; N162-Y165 PolarHBondContact OD1-O 3.22Å; Y165-F167 HydrophobicContact CD1-CB 4.35Å; Y165-F167 HydrophobicContact CD1-CD2 4.49Å; Y165-F167 AromaticContact CD2-CD2 3.75Å; Y165-F167 HydrophobicContact CD2-CD2 3.75Å; Y165-F167 HydrophobicContact CD2-CE2 4.29Å; Y165-F167 HydrophobicContact CE1-CB 3.82Å; Y165-F167 HydrophobicContact CE1-CD2 4.21Å; Y165-F167 HydrophobicContact CE1-CG 4.41Å; Y165-F167 HydrophobicContact CE2-CB 4.47Å; Y165-F167 AromaticContact CE2-CD2 3.36Å; Y165-F167 HydrophobicContact CE2-CD2 3.36Å; Y165-F167 AromaticContact CE2-CE2 3.9Å; Y165-F167 HydrophobicContact CE2-CE2 3.9Å; Y165-F167 HydrophobicContact CE2-CG 4.2Å; Y165-F167 HydrophobicContact CG-CD2 4.28Å; Y165-F167 AromaticContact CZ-CD2 3.61Å; Y165-F167 AromaticContact CZ-CG 3.98Å; Y165-F167 PolarHBondContact O-N 3.15Å; Y165-E254 VanDerWaalsContact CD2-OE1 3.3Å; Y165-E254 WeakPolarHBondContact CD2-OE1 3.39Å
166	P	81.4	Confident	88.1	Confident	29 Å²	29	33.7 Å²	33.7	19%	0.188	15%	0.154	C	C	.	.			trans	-69.5	8.7	-168.4	27.2	-36.5	0	0	0	115.7	V327	P166-V327 HydrophobicContact CB-CG1 4.44Å
167	F	85.6	Confident	88	Confident	43 Å²	43	35.4 Å²	35.4	19%	0.189	17%	0.165	C	C	.	.			trans	-75.8	141	-177.7	-65.1	-91.3	0	0	0	112.2	A156 Y165 Q464 H466	A156-F167 WeakPolarHBondContact CA-O 3.47Å; A156-F167 HydrophobicContact CB-CB 4.45Å; A156-F167 WeakPolarHBondContact CB-O 3.33Å; Y165-F167 HydrophobicContact CD1-CB 4.35Å; Y165-F167 HydrophobicContact CD1-CD2 4.49Å; Y165-F167 AromaticContact CD2-CD2 3.75Å; Y165-F167 HydrophobicContact CD2-CD2 3.75Å; Y165-F167 HydrophobicContact CD2-CE2 4.29Å; Y165-F167 HydrophobicContact CE1-CB 3.82Å; Y165-F167 HydrophobicContact CE1-CD2 4.21Å; Y165-F167 HydrophobicContact CE1-CG 4.41Å; Y165-F167 HydrophobicContact CE2-CB 4.47Å; Y165-F167 AromaticContact CE2-CD2 3.36Å; Y165-F167 HydrophobicContact CE2-CD2 3.36Å; Y165-F167 AromaticContact CE2-CE2 3.9Å; Y165-F167 HydrophobicContact CE2-CE2 3.9Å; Y165-F167 HydrophobicContact CE2-CG 4.2Å; Y165-F167 HydrophobicContact CG-CD2 4.28Å; Y165-F167 AromaticContact CZ-CD2 3.61Å; Y165-F167 AromaticContact CZ-CG 3.98Å; Y165-F167 PolarHBondContact O-N 3.15Å; F167-Q464 HydrophobicContact CZ-CB 4.46Å; F167-Q464 HydrophobicContact CZ-CG 4.4Å; F167-H466 CarbonylContact C-O 3.59Å; F167-H466 VanDerWaalsContact CA-O 3.24Å; F167-H466 WeakPolarHBondContact CA-O 3.49Å
168	Q	88.6	Confident	87.6	Confident	5 Å²	5	38.3 Å²	38.3	2%	0.023	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.2	177.7	-65.9	-173.9	-0.9	0	0	110.6	W321 S325 V327 H466 F467 I468	Q168-W321 HydrophobicContact CB-CZ2 4.28Å; Q168-S325 VanDerWaalsContact CD-OG 3.23Å; Q168-S325 PolarHBondContact NE2-OG 2.97Å; Q168-S325 PolarHBondContact OE1-OG 2.85Å; Q168-V327 VanDerWaalsContact NE2-CG2 3.31Å; Q168-H466 PolarHBondContact N-O 3.26Å; Q168-F467 HydrophobicContact CB-CD1 4.13Å; Q168-F467 HydrophobicContact CB-CE1 4.29Å; Q168-F467 CarbonylContact O-C 3.55Å; Q168-F467 WeakPolarHBondContact O-CA 3.3Å; Q168-F467 VanDerWaalsContact OE1-CE1 3.29Å; Q168-I468 PolarHBondContact O-N 3.25Å
169	E	90.9	Very high	87.4	Confident	44 Å²	44	36.8 Å²	36.8	21%	0.206	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.4	175.3	-54.4	-160.5	155.5	0	0	109.9	A156 E157 I468 K470	A156-E169 HydrophobicContact CB-CG 4.03Å; A156-E169 PolarHBondContact O-N 3.08Å; E157-E169 HydrophobicContact CG-CB 4.17Å; E169-I468 WeakPolarHBondContact CA-O 3.45Å; E169-I468 HydrophobicContact CG-CB 4.16Å; E169-I468 HydrophobicContact CG-CD1 4.44Å; E169-K470 WeakPolarHBondContact OE2-CE 3.4Å; E169-K470 IonicContact OE2-NZ 2.66Å; E169-K470 PolarHBondContact OE2-NZ 3.18Å
170	R	92.3	Very high	87.4	Confident	37 Å²	37	34 Å²	34	14%	0.14	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140	175	-172.3	175.9	-173.6	115.5	7.8	111.3	F172 E302 S304 W321 I468 K470	R170-F172 HydrophobicContact CB-CE2 3.88Å; R170-F172 HydrophobicContact CB-CZ 4.47Å; R170-F172 HydrophobicContact CG-CD2 4.32Å; R170-F172 HydrophobicContact CG-CE2 3.79Å; R170-F172 HydrophobicContact CG-CZ 4.06Å; R170-E302 IonicContact CZ-OE1 2.75Å; R170-E302 IonicContact CZ-OE2 3.07Å; R170-E302 IonicContact NH1-OE1 2.66Å; R170-E302 PolarHBondContact NH1-OE1 3.12Å; R170-E302 IonicContact NH1-OE2 3.71Å; R170-E302 PolarHBondContact NH1-OE2 2.92Å; R170-E302 IonicContact NH2-OE1 2.95Å; R170-E302 PolarHBondContact NH2-OE1 3.5Å; R170-E302 IonicContact NH2-OE2 3.26Å; R170-S304 PolarHBondContact NE-OG 2.9Å; R170-S304 PolarHBondContact NH2-OG 2.82Å; R170-W321 HydrophobicContact CB-CD2 4.33Å; R170-W321 HydrophobicContact CB-CH2 4.05Å; R170-W321 HydrophobicContact CB-CZ2 3.53Å; R170-I468 PolarHBondContact N-O 3.25Å; R170-K470 PolarHBondContact O-N 2.96Å
171	V	95.5	Very high	87	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.6	179.8	-177	0	0	0	0	109.9	V173 P301 E302 M303 S304 K470 V472 I582 V586	V171-V173 HydrophobicContact CG1-CG2 4.03Å; V171-P301 HydrophobicContact CG2-CB 4.07Å; V171-P301 HydrophobicContact CG2-CG 3.8Å; V171-E302 PolarHBondContact N-O 3.41Å; V171-M303 HydrophobicContact CB-CG 3.84Å; V171-M303 HydrophobicContact CG1-CG 4Å; V171-M303 HydrophobicContact CG2-CG 4.4Å; V171-M303 CarbonylContact O-C 3.5Å; V171-M303 WeakPolarHBondContact O-CA 3.3Å; V171-S304 PolarHBondContact O-N 2.83Å; V171-K470 WeakPolarHBondContact CA-O 3.49Å; V171-K470 HydrophobicContact CG2-CB 4.28Å; V171-V472 HydrophobicContact CG1-CG2 3.8Å; V171-I582 HydrophobicContact CG1-CG2 4.28Å; V171-V586 HydrophobicContact CG2-CG2 4.06Å
172	F	94.9	Very high	87.1	Confident	10 Å²	10	33.8 Å²	33.8	4%	0.044	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.9	177.2	-65.1	-99	0	0	0	108.5	R170 Y306 E317 L318 W321 A469 K470 V472	R170-F172 HydrophobicContact CB-CE2 3.88Å; R170-F172 HydrophobicContact CB-CZ 4.47Å; R170-F172 HydrophobicContact CG-CD2 4.32Å; R170-F172 HydrophobicContact CG-CE2 3.79Å; R170-F172 HydrophobicContact CG-CZ 4.06Å; F172-Y306 AromaticContact CD1-CE2 3.96Å; F172-Y306 HydrophobicContact CD1-CE2 3.96Å; F172-E317 HydrophobicContact CE1-CB 4.41Å; F172-L318 HydrophobicContact CD2-CD2 4.37Å; F172-L318 HydrophobicContact CE2-CD2 3.75Å; F172-L318 HydrophobicContact CZ-CD2 3.83Å; F172-W321 HydrophobicContact CE2-CD2 4.5Å; F172-W321 HydrophobicContact CE2-CE3 4.21Å; F172-W321 HydrophobicContact CZ-CB 4.16Å; F172-W321 HydrophobicContact CZ-CD2 4.2Å; F172-W321 HydrophobicContact CZ-CE3 4.15Å; F172-W321 HydrophobicContact CZ-CG 4.23Å; F172-A469 HydrophobicContact CD2-CB 4.16Å; F172-A469 HydrophobicContact CE2-CB 3.93Å; F172-K470 PolarHBondContact N-O 3.5Å; F172-V472 PolarHBondContact O-N 3.25Å
173	V	95.4	Very high	87.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.7	-179.2	-174.3	0	0	0	0	109	V171 F192 S304 F305 Y306 V472 M474 I582	V171-V173 HydrophobicContact CG1-CG2 4.03Å; V173-F192 HydrophobicContact CB-CZ 4.32Å; V173-F192 HydrophobicContact CG1-CE2 4.49Å; V173-F192 HydrophobicContact CG1-CZ 4.11Å; V173-F192 HydrophobicContact CG2-CE1 4.28Å; V173-F192 HydrophobicContact CG2-CZ 3.96Å; V173-S304 PolarHBondContact N-O 3.49Å; V173-F305 HydrophobicContact CB-CD2 4.1Å; V173-F305 HydrophobicContact CG1-CD2 3.81Å; V173-F305 HydrophobicContact CG1-CE2 4.25Å; V173-Y306 PolarHBondContact O-N 2.66Å; V173-V472 CarbonylContact C-O 3.21Å; V173-V472 WeakPolarHBondContact CA-O 3.42Å; V173-V472 HydrophobicContact CG2-CB 4.33Å; V173-M474 HydrophobicContact CG1-CG 3.92Å; V173-M474 HydrophobicContact CG1-SD 3.36Å; V173-M474 WeakPolarHBondContact CG1-SD 3.35Å; V173-I582 HydrophobicContact CG2-CD1 4.44Å
174	L	94.7	Very high	87.4	Confident	4 Å²	4	28 Å²	28	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	101.8	-175.5	-54	-177.9	0	0	0	109.8	Y306 W308 L312 I314 I471 V472 V473 M474	L174-Y306 HydrophobicContact CD2-CD2 3.99Å; L174-Y306 HydrophobicContact CD2-CG 4.33Å; L174-W308 HydrophobicContact CB-CB 4.3Å; L174-W308 HydrophobicContact CB-CD2 3.98Å; L174-W308 HydrophobicContact CB-CE3 3.56Å; L174-W308 HydrophobicContact CB-CG 4.34Å; L174-W308 HydrophobicContact CB-CZ3 4.09Å; L174-W308 HydrophobicContact CD1-CD2 3.94Å; L174-W308 HydrophobicContact CD1-CE3 3.83Å; L174-W308 HydrophobicContact CD1-CH2 3.79Å; L174-W308 HydrophobicContact CD1-CZ2 3.95Å; L174-W308 HydrophobicContact CD1-CZ3 3.78Å; L174-W308 HydrophobicContact CG-CE3 4.34Å; L174-L312 HydrophobicContact CD2-CD1 4.47Å; L174-L312 HydrophobicContact CD2-CD2 4.1Å; L174-I314 HydrophobicContact CD1-CD1 3.85Å; L174-I314 HydrophobicContact CD1-CG1 4.11Å; L174-I471 HydrophobicContact CD1-CG2 3.8Å; L174-I471 HydrophobicContact CG-CG2 4.43Å; L174-V472 PolarHBondContact N-O 3.47Å; L174-V473 HydrophobicContact CB-CG1 4.38Å; L174-V473 HydrophobicContact CD1-CG1 4.48Å; L174-V473 WeakPolarHBondContact O-CA 3.33Å; L174-M474 PolarHBondContact O-N 2.9Å
175	A	92.9	Very high	87.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.2	-177	0	0	0	0	0	112.8	P177 F180 F305 Y306 W308 M474	A175-P177 WeakPolarHBondContact O-CD 3.26Å; A175-F180 HydrophobicContact CB-CD2 3.85Å; A175-F180 HydrophobicContact CB-CE2 3.98Å; A175-F180 HydrophobicContact CB-CG 4.16Å; A175-F180 HydrophobicContact CB-CZ 4.39Å; A175-F305 HydrophobicContact CB-CE2 3.62Å; A175-F305 HydrophobicContact CB-CZ 3.67Å; A175-Y306 PolarHBondContact N-O 3.41Å; A175-W308 PolarHBondContact O-N 3.18Å; A175-M474 CarbonylContact C-O 3.58Å; A175-M474 WeakPolarHBondContact CA-O 3.25Å; A175-M474 HydrophobicContact CB-CB 4.39Å
176	D	89.4	Confident	87.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.174	C	C	.	.			trans	-77.8	115.9	179	-162.1	-29.7	0	0	0	112.6	E178 V179 F180 M474 V479 R482	D176-E178 PolarHBondContact O-N 3.06Å; D176-E178 VanDerWaalsContact O-N 3.16Å; D176-E178 PolarHBondContact OD1-N 2.84Å; D176-V179 HydrophobicContact CB-CB 4.19Å; D176-V179 HydrophobicContact CB-CG2 4.03Å; D176-V179 PolarHBondContact O-N 2.8Å; D176-F180 WeakPolarHBondContact O-CD2 3.45Å; D176-F180 PolarHBondContact O-N 3.36Å; D176-M474 PolarHBondContact N-O 3.44Å; D176-V479 HydrophobicContact CB-CB 4.18Å; D176-V479 HydrophobicContact CB-CG2 4.11Å; D176-R482 IonicContact OD1-NH2 3.81Å; D176-R482 PolarHBondContact OD1-NH2 2.83Å; D176-R482 IonicContact OD2-CZ 3.22Å; D176-R482 IonicContact OD2-NH2 2.88Å; D176-R482 PolarHBondContact OD2-NH2 2.86Å
177	P	86.9	Confident	88	Confident	39 Å²	39	27.3 Å²	27.3	25%	0.253	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.2	174.5	22.3	-33.3	0	0	0	114.7	A175 V179 L307 W308	A175-P177 WeakPolarHBondContact O-CD 3.26Å; P177-V179 VanDerWaalsContact C-N 3.25Å; P177-V179 PolarHBondContact O-N 2.94Å; P177-L307 HydrophobicContact CB-CD1 3.99Å; P177-L307 HydrophobicContact CB-CD2 3.98Å; P177-L307 HydrophobicContact CB-CG 3.84Å; P177-L307 HydrophobicContact CG-CG 4.37Å; P177-W308 WeakPolarHBondContact CD-O 3.21Å
178	E	84.4	Confident	88.1	Confident	63 Å²	63	25.3 Å²	25.3	29%	0.294	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	1	178.5	-56.8	-178.6	-165.1	0	0	113.2	D176 R478 R737	D176-E178 PolarHBondContact O-N 3.06Å; D176-E178 VanDerWaalsContact O-N 3.16Å; D176-E178 PolarHBondContact OD1-N 2.84Å; E178-R478 PolarHBondContact O-NH2 3.35Å; E178-R478 VanDerWaalsContact O-NH2 3.12Å; E178-R478 IonicContact OE2-CZ 3.66Å; E178-R478 IonicContact OE2-NE 3.1Å; E178-R478 IonicContact OE2-NH1 2.84Å; E178-R478 PolarHBondContact OE2-NH1 3.22Å; E178-R737 IonicContact OE1-CZ 3.23Å; E178-R737 IonicContact OE1-NE 2.79Å; E178-R737 PolarHBondContact OE1-NE 3.17Å; E178-R737 IonicContact OE1-NH1 3.83Å; E178-R737 IonicContact OE1-NH2 3.5Å; E178-R737 PolarHBondContact OE1-NH2 2.91Å
179	V	85.7	Confident	88.1	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.024	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-48.6	172.4	175.5	0	0	0	0	110.2	D176 P177 S181 D476 V513 P515	D176-V179 HydrophobicContact CB-CB 4.19Å; D176-V179 HydrophobicContact CB-CG2 4.03Å; D176-V179 PolarHBondContact O-N 2.8Å; P177-V179 VanDerWaalsContact C-N 3.25Å; P177-V179 PolarHBondContact O-N 2.94Å; V179-S181 PolarHBondContact O-N 2.75Å; V179-S181 VanDerWaalsContact O-N 3.15Å; V179-D476 HydrophobicContact CG2-CB 4.37Å; V179-V513 HydrophobicContact CG1-CB 4.04Å; V179-V513 HydrophobicContact CG1-CG1 3.71Å; V179-V513 WeakPolarHBondContact CG1-O 3.15Å; V179-P515 HydrophobicContact CG2-CG 4.45Å
180	F	85.1	Confident	87.9	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.009	17%	0.174	C	C	.	.	S	Bend	trans	-83.5	90	-178.5	-70.6	-98.6	0	0	0	109.6	A175 D176 L184 I185 V188 M474 V513 I559	A175-F180 HydrophobicContact CB-CD2 3.85Å; A175-F180 HydrophobicContact CB-CE2 3.98Å; A175-F180 HydrophobicContact CB-CG 4.16Å; A175-F180 HydrophobicContact CB-CZ 4.39Å; D176-F180 WeakPolarHBondContact O-CD2 3.45Å; D176-F180 PolarHBondContact O-N 3.36Å; F180-L184 HydrophobicContact CD1-CB 4.19Å; F180-I185 HydrophobicContact CB-CG1 3.99Å; F180-I185 WeakPolarHBondContact O-CD1 3.31Å; F180-I185 WeakPolarHBondContact O-CG1 3.45Å; F180-V188 HydrophobicContact CD1-CG2 4.29Å; F180-V188 HydrophobicContact CE1-CG2 3.96Å; F180-M474 HydrophobicContact CE2-CB 3.78Å; F180-M474 HydrophobicContact CZ-CB 3.74Å; F180-M474 HydrophobicContact CZ-CE 4.08Å; F180-M474 HydrophobicContact CZ-SD 4.43Å; F180-V513 HydrophobicContact CE2-CB 4.07Å; F180-V513 HydrophobicContact CE2-CG1 4.2Å; F180-V513 HydrophobicContact CE2-CG2 4.23Å; F180-V513 HydrophobicContact CZ-CB 4.03Å; F180-V513 HydrophobicContact CZ-CG1 3.98Å; F180-V513 HydrophobicContact CZ-CG2 3.8Å; F180-I559 HydrophobicContact CE1-CG2 4.33Å
181	S	78.6	Confident	87.7	Confident	80 Å²	80	26.7 Å²	26.7	56%	0.559	17%	0.17	S	C	*	.			trans	-122.4	155.3	177.7	61.6	0	0	0	0	111.6	V179 S183 L184	V179-S181 PolarHBondContact O-N 2.75Å; V179-S181 VanDerWaalsContact O-N 3.15Å; S181-S183 PolarHBondContact O-N 2.76Å; S181-L184 PolarHBondContact O-N 2.68Å
182	G	82.5	Confident	87.3	Confident	62 Å²	62	27.8 Å²	27.8	64%	0.639	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	-133.2	178.9	0	0	0	0	0	113.1	L184 I185 P186	G182-L184 PolarHBondContact O-N 3.01Å; G182-I185 PolarHBondContact O-N 2.96Å; G182-P186 VanDerWaalsContact O-CD 3.23Å; G182-P186 WeakPolarHBondContact O-CD 3.36Å
183	S	81.5	Confident	86.7	Confident	38 Å²	38	32.5 Å²	32.5	27%	0.266	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.9	-176.8	45.1	0	0	0	0	115.4	S181 P186 A187 E567	S181-S183 PolarHBondContact O-N 2.76Å; S183-P186 WeakPolarHBondContact O-CD 3Å; S183-A187 WeakPolarHBondContact O-CB 3.26Å; S183-A187 PolarHBondContact O-N 2.91Å; S183-E567 WeakPolarHBondContact CB-OE1 3.41Å; S183-E567 PolarHBondContact OG-OE1 2.76Å
184	L	85	Confident	86	Confident	11 Å²	11	33.9 Å²	33.9	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-38.1	176	-64.9	167.3	0	0	0	112.5	F180 S181 G182 V188 I559 H560 A563	F180-L184 HydrophobicContact CD1-CB 4.19Å; S181-L184 PolarHBondContact O-N 2.68Å; G182-L184 PolarHBondContact O-N 3.01Å; L184-V188 WeakPolarHBondContact O-CB 3.41Å; L184-V188 WeakPolarHBondContact O-CG2 3.33Å; L184-V188 PolarHBondContact O-N 3.01Å; L184-I559 HydrophobicContact CD2-CG2 4.02Å; L184-H560 WeakPolarHBondContact CD2-ND1 3.37Å; L184-A563 HydrophobicContact CD2-CB 3.82Å
185	I	86.8	Confident	85.3	Confident	52 Å²	52	34.4 Å²	34.4	27%	0.267	21%	0.21	S	C	.	.	H	α-helix	trans	-68.4	-53.9	179.8	-60.5	172.7	0	0	0	110.6	F180 G182 A187 V188 V189 L307	F180-I185 HydrophobicContact CB-CG1 3.99Å; F180-I185 WeakPolarHBondContact O-CD1 3.31Å; F180-I185 WeakPolarHBondContact O-CG1 3.45Å; G182-I185 PolarHBondContact O-N 2.96Å; I185-A187 VanDerWaalsContact C-N 3.32Å; I185-A187 PolarHBondContact O-N 3.02Å; I185-V188 PolarHBondContact O-N 2.63Å; I185-V189 HydrophobicContact CG2-CG2 4Å; I185-V189 WeakPolarHBondContact O-CB 3.37Å; I185-V189 WeakPolarHBondContact O-CG2 3.27Å; I185-V189 PolarHBondContact O-N 3.37Å; I185-L307 HydrophobicContact CD1-CD1 4.18Å; I185-L307 HydrophobicContact CD1-CD2 4.25Å
186	P	86	Confident	84.1	Confident	70 Å²	70	37.7 Å²	37.7	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-57.1	-41.3	177.8	-26.5	35.5	0	0	0	113.6	G182 S183 V188 V189 E190	G182-P186 VanDerWaalsContact O-CD 3.23Å; G182-P186 WeakPolarHBondContact O-CD 3.36Å; S183-P186 WeakPolarHBondContact O-CD 3Å; P186-V188 VanDerWaalsContact C-N 3.33Å; P186-V188 PolarHBondContact O-N 3.18Å; P186-V189 PolarHBondContact O-N 3.45Å; P186-E190 WeakPolarHBondContact O-CB 3.21Å; P186-E190 PolarHBondContact O-N 2.76Å
187	A	85.6	Confident	82.7	Confident	8 Å²	8	42.2 Å²	42.2	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-35.2	-179.4	0	0	0	0	0	113.2	S183 I185 D191 A563	S183-A187 WeakPolarHBondContact O-CB 3.26Å; S183-A187 PolarHBondContact O-N 2.91Å; I185-A187 VanDerWaalsContact C-N 3.32Å; I185-A187 PolarHBondContact O-N 3.02Å; A187-D191 PolarHBondContact O-N 3.08Å; A187-A563 HydrophobicContact CB-CB 3.76Å
188	V	87.9	Confident	80.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-77.2	-43.4	177.3	172.5	0	0	0	0	111.2	F180 L184 I185 P186 D191 F192 F305 I559 I578	F180-V188 HydrophobicContact CD1-CG2 4.29Å; F180-V188 HydrophobicContact CE1-CG2 3.96Å; L184-V188 WeakPolarHBondContact O-CB 3.41Å; L184-V188 WeakPolarHBondContact O-CG2 3.33Å; L184-V188 PolarHBondContact O-N 3.01Å; I185-V188 PolarHBondContact O-N 2.63Å; P186-V188 VanDerWaalsContact C-N 3.33Å; P186-V188 PolarHBondContact O-N 3.18Å; V188-D191 PolarHBondContact O-N 3.39Å; V188-F192 HydrophobicContact CG1-CD2 3.93Å; V188-F192 HydrophobicContact CG1-CE2 3.46Å; V188-F192 VanDerWaalsContact CG1-CE2 3.46Å; V188-F192 WeakPolarHBondContact O-CD2 3.43Å; V188-F192 PolarHBondContact O-N 3.09Å; V188-F305 HydrophobicContact CG1-CD2 4.05Å; V188-F305 HydrophobicContact CG1-CE2 3.5Å; V188-F305 HydrophobicContact CG1-CZ 3.85Å; V188-I559 HydrophobicContact CG2-CG2 3.75Å; V188-I578 HydrophobicContact CB-CD1 4.48Å; V188-I578 HydrophobicContact CG2-CD1 3.93Å
189	V	87.9	Confident	79	Confident	45 Å²	45	41.9 Å²	41.9	27%	0.273	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-45	177.3	171.2	0	0	0	0	110.6	I185 P186 D191 F192 E193 F305	I185-V189 HydrophobicContact CG2-CG2 4Å; I185-V189 WeakPolarHBondContact O-CB 3.37Å; I185-V189 WeakPolarHBondContact O-CG2 3.27Å; I185-V189 PolarHBondContact O-N 3.37Å; P186-V189 PolarHBondContact O-N 3.45Å; V189-D191 VanDerWaalsContact C-N 3.33Å; V189-D191 PolarHBondContact O-N 2.9Å; V189-F192 PolarHBondContact O-N 2.88Å; V189-E193 HydrophobicContact CG1-CG 4.34Å; V189-E193 WeakPolarHBondContact O-CG 3.39Å; V189-E193 PolarHBondContact O-N 2.88Å; V189-F305 HydrophobicContact CG2-CD1 3.83Å; V189-F305 HydrophobicContact CG2-CE1 3.77Å
190	E	86.1	Confident	76.5	Confident	59 Å²	59	45.4 Å²	45.4	28%	0.276	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-33.4	177.9	-168.8	-179.3	174.3	0	0	112.2	P186 E193 V194 Q566 K574	P186-E190 WeakPolarHBondContact O-CB 3.21Å; P186-E190 PolarHBondContact O-N 2.76Å; E190-E193 PolarHBondContact O-N 2.61Å; E190-V194 HydrophobicContact CG-CG2 4.24Å; E190-V194 WeakPolarHBondContact O-CB 3.22Å; E190-V194 WeakPolarHBondContact O-CG2 3.29Å; E190-V194 PolarHBondContact O-N 3.15Å; E190-Q566 PolarHBondContact OE2-NE2 2.66Å; E190-K574 HydrophobicContact CG-CD 4.37Å; E190-K574 WeakPolarHBondContact OE1-CD 3.38Å; E190-K574 IonicContact OE1-NZ 3.11Å; E190-K574 PolarHBondContact OE1-NZ 3.37Å; E190-K574 IonicContact OE2-NZ 2.68Å; E190-K574 PolarHBondContact OE2-NZ 3.09Å
191	D	88.6	Confident	74.1	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.064	33%	0.326	C	S	.	.	H	α-helix	trans	-62.5	-41.4	172	-173.7	-71.4	0	0	0	111.8	A187 V188 V189 S195 F577 I578 S579	A187-D191 PolarHBondContact O-N 3.08Å; V188-D191 PolarHBondContact O-N 3.39Å; V189-D191 VanDerWaalsContact C-N 3.33Å; V189-D191 PolarHBondContact O-N 2.9Å; D191-S195 WeakPolarHBondContact O-CB 3.36Å; D191-S195 PolarHBondContact O-N 3.06Å; D191-F577 PolarHBondContact OD2-N 2.85Å; D191-I578 HydrophobicContact CB-CB 4.26Å; D191-I578 HydrophobicContact CB-CD1 4.03Å; D191-I578 HydrophobicContact CB-CG1 4.35Å; D191-I578 WeakPolarHBondContact OD1-CB 3.43Å; D191-I578 PolarHBondContact OD1-N 3.16Å; D191-I578 WeakPolarHBondContact OD2-CG1 3.49Å; D191-I578 PolarHBondContact OD2-N 2.97Å; D191-S579 PolarHBondContact O-OG 2.71Å; D191-S579 WeakPolarHBondContact OD1-CB 3.44Å; D191-S579 PolarHBondContact OD1-N 2.92Å; D191-S579 PolarHBondContact OD1-OG 2.8Å
192	F	86.5	Confident	72.1	Confident	25 Å²	25	52.7 Å²	52.7	11%	0.11	34%	0.339	C	S	.	.	H	α-helix	trans	-69.1	-39.1	174	-69.9	-62	0	0	0	112.7	V173 V188 V189 S195 A196 M303 F305 S579 I582	V173-F192 HydrophobicContact CB-CZ 4.32Å; V173-F192 HydrophobicContact CG1-CE2 4.49Å; V173-F192 HydrophobicContact CG1-CZ 4.11Å; V173-F192 HydrophobicContact CG2-CE1 4.28Å; V173-F192 HydrophobicContact CG2-CZ 3.96Å; V188-F192 HydrophobicContact CG1-CD2 3.93Å; V188-F192 HydrophobicContact CG1-CE2 3.46Å; V188-F192 VanDerWaalsContact CG1-CE2 3.46Å; V188-F192 WeakPolarHBondContact O-CD2 3.43Å; V188-F192 PolarHBondContact O-N 3.09Å; V189-F192 PolarHBondContact O-N 2.88Å; F192-S195 WeakPolarHBondContact O-CB 3.39Å; F192-S195 PolarHBondContact O-N 2.86Å; F192-A196 PolarHBondContact O-N 2.81Å; F192-M303 HydrophobicContact CD1-CB 4.19Å; F192-M303 HydrophobicContact CD1-SD 3.92Å; F192-M303 HydrophobicContact CE1-CB 4.27Å; F192-M303 HydrophobicContact CE1-CG 4.48Å; F192-M303 HydrophobicContact CE1-SD 3.51Å; F192-M303 VanDerWaalsContact CE1-SD 3.51Å; F192-F305 HydrophobicContact CD2-CB 3.86Å; F192-F305 AromaticContact CD2-CD2 3.92Å; F192-F305 HydrophobicContact CD2-CD2 3.92Å; F192-F305 AromaticContact CD2-CG 3.99Å; F192-F305 HydrophobicContact CD2-CG 3.99Å; F192-F305 HydrophobicContact CE2-CB 4Å; F192-F305 AromaticContact CE2-CD2 3.35Å; F192-F305 HydrophobicContact CE2-CD2 3.35Å; F192-F305 HydrophobicContact CE2-CE2 4.05Å; F192-F305 AromaticContact CE2-CG 3.9Å; F192-F305 HydrophobicContact CE2-CG 3.9Å; F192-F305 HydrophobicContact CZ-CD2 4.23Å; F192-S579 WeakPolarHBondContact CD1-OG 3.47Å; F192-I582 HydrophobicContact CE1-CD1 3.97Å; F192-I582 HydrophobicContact CZ-CD1 3.64Å
193	E	83.9	Confident	70.8	Confident	109 Å²	109	52.3 Å²	52.3	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-44	173.8	-72.4	177.2	176	0	0	110.9	V189 E190 S195 A196 L197	V189-E193 HydrophobicContact CG1-CG 4.34Å; V189-E193 WeakPolarHBondContact O-CG 3.39Å; V189-E193 PolarHBondContact O-N 2.88Å; E190-E193 PolarHBondContact O-N 2.61Å; E193-S195 VanDerWaalsContact C-N 3.27Å; E193-S195 PolarHBondContact O-N 3.18Å; E193-A196 CarbonylContact O-C 3.39Å; E193-A196 PolarHBondContact O-N 3.22Å; E193-L197 HydrophobicContact CB-CD1 4.38Å; E193-L197 VanDerWaalsContact O-CB 3.23Å; E193-L197 WeakPolarHBondContact O-CB 3.35Å; E193-L197 WeakPolarHBondContact O-CD1 3.48Å; E193-L197 WeakPolarHBondContact O-CG 3.37Å; E193-L197 PolarHBondContact O-N 3.37Å
194	V	80.8	Confident	70.2	Confident	28 Å²	28	52.4 Å²	52.4	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-31	171.5	166.8	0	0	0	0	111.3	E190 A196 G198 K574 P576	E190-V194 HydrophobicContact CG-CG2 4.24Å; E190-V194 WeakPolarHBondContact O-CB 3.22Å; E190-V194 WeakPolarHBondContact O-CG2 3.29Å; E190-V194 PolarHBondContact O-N 3.15Å; V194-A196 VanDerWaalsContact C-N 3.33Å; V194-G198 WeakPolarHBondContact O-CA 3.48Å; V194-G198 PolarHBondContact O-N 2.67Å; V194-K574 VanDerWaalsContact CG1-O 3.22Å; V194-K574 WeakPolarHBondContact CG1-O 3.4Å; V194-K574 HydrophobicContact CG2-CB 4.42Å; V194-P576 HydrophobicContact CG1-CB 4.17Å; V194-P576 HydrophobicContact CG1-CG 4.5Å
195	S	78.1	Confident	70.1	Confident	16 Å²	16	55.6 Å²	55.6	11%	0.112	34%	0.343	C	S	.	.	H	α-helix	trans	-70.6	-29.5	171.3	-171.5	0	0	0	0	112.8	D191 F192 E193 N300 S579	D191-S195 WeakPolarHBondContact O-CB 3.36Å; D191-S195 PolarHBondContact O-N 3.06Å; F192-S195 WeakPolarHBondContact O-CB 3.39Å; F192-S195 PolarHBondContact O-N 2.86Å; E193-S195 VanDerWaalsContact C-N 3.27Å; E193-S195 PolarHBondContact O-N 3.18Å; S195-N300 WeakPolarHBondContact OG-CB 3.43Å; S195-N300 PolarHBondContact OG-ND2 2.85Å; S195-S579 WeakPolarHBondContact CB-OG 3.44Å
196	A	68.9	Low	70.1	Confident	68 Å²	68	53.9 Å²	53.9	56%	0.562	34%	0.335	S	S	*	.	H	α-helix	trans	-84.5	-28.6	176.2	0	0	0	0	0	112.8	F192 E193 V194	F192-A196 PolarHBondContact O-N 2.81Å; E193-A196 CarbonylContact O-C 3.39Å; E193-A196 PolarHBondContact O-N 3.22Å; V194-A196 VanDerWaalsContact C-N 3.33Å
197	L	59.6	Low	70.1	Confident	95 Å²	95	53.1 Å²	53.1	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-96	-31	-178.2	-69.1	166.1	0	0	0	113.2	E193 S199 A200 G201	E193-L197 HydrophobicContact CB-CD1 4.38Å; E193-L197 VanDerWaalsContact O-CB 3.23Å; E193-L197 WeakPolarHBondContact O-CB 3.35Å; E193-L197 WeakPolarHBondContact O-CD1 3.48Å; E193-L197 WeakPolarHBondContact O-CG 3.37Å; E193-L197 PolarHBondContact O-N 3.37Å; L197-S199 VanDerWaalsContact C-N 3.29Å; L197-S199 PolarHBondContact O-N 2.69Å; L197-A200 CarbonylContact O-C 3.25Å; L197-A200 WeakPolarHBondContact O-CA 3.34Å; L197-A200 PolarHBondContact O-N 3.1Å; L197-G201 PolarHBondContact O-N 2.88Å
198	G	47.1	Very low	70.3	Confident	60 Å²	60	53.5 Å²	53.5	62%	0.619	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.6	-176.8	0	0	0	0	0	114.2	V194 A200	V194-G198 WeakPolarHBondContact O-CA 3.48Å; V194-G198 PolarHBondContact O-N 2.67Å; G198-A200 PolarHBondContact O-N 2.76Å
199	S	46	Very low	70.5	Confident	36 Å²	36	53.6 Å²	53.6	25%	0.252	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	8.7	152.5	-53	0	0	0	0	112.7	L197 Q203	L197-S199 VanDerWaalsContact C-N 3.29Å; L197-S199 PolarHBondContact O-N 2.69Å; S199-Q203 WeakPolarHBondContact O-CG 3.5Å; S199-Q203 PolarHBondContact O-NE2 2.96Å
200	A	33.2	Very low	70.7	Confident	77 Å²	77	53.4 Å²	53.4	64%	0.636	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	72.2	-177	0	0	0	0	0	115	L197 G198	L197-A200 CarbonylContact O-C 3.25Å; L197-A200 WeakPolarHBondContact O-CA 3.34Å; L197-A200 PolarHBondContact O-N 3.1Å; G198-A200 PolarHBondContact O-N 2.76Å
201	G	34.5	Very low	71	Confident	45 Å²	45	51.9 Å²	51.9	46%	0.464	32%	0.316	S	S	.	.	S	Bend	trans	68.3	85	153.1	0	0	0	0	0	116.3	L197	L197-G201 PolarHBondContact O-N 2.88Å
202	F	38.5	Very low	71.3	Confident	190 Å²	190	51.3 Å²	51.3	83%	0.833	31%	0.313	S	S	*	.			trans	51.2	58.7	179.6	-61.9	-82.2	0	0	0	112.7	S204	F202-S204 VanDerWaalsContact C-N 3.33Å; F202-S204 PolarHBondContact O-N 2.78Å
203	Q	54.5	Low	71.7	Confident	54 Å²	54	50.1 Å²	50.1	25%	0.252	31%	0.307	S	S	.	.			trans	-55.1	102.8	168.3	-68.9	-147.4	-55.2	0	0	109.1	S199 E207	S199-Q203 WeakPolarHBondContact O-CG 3.5Å; S199-Q203 PolarHBondContact O-NE2 2.96Å; Q203-E207 HydrophobicContact CB-CB 4.15Å; Q203-E207 HydrophobicContact CG-CB 4.34Å; Q203-E207 WeakPolarHBondContact CG-OE2 3.33Å; Q203-E207 PolarHBondContact NE2-OE2 3.11Å
204	S	68.7	Low	72.1	Confident	41 Å²	41	46 Å²	46	29%	0.287	29%	0.288	S	S	.	.			trans	-57.6	152.9	170.9	58.1	0	0	0	0	108.6	F202 L206 E207	F202-S204 VanDerWaalsContact C-N 3.33Å; F202-S204 PolarHBondContact O-N 2.78Å; S204-L206 PolarHBondContact O-N 2.99Å; S204-E207 PolarHBondContact O-N 3.43Å
205	P	82.1	Confident	72.8	Confident	77 Å²	77	44.7 Å²	44.7	50%	0.5	28%	0.28	S	S	.	.	H	α-helix	trans	-47.4	-29.2	175.3	-31.4	37	0	0	0	113.7	L160 E207 H208 M209	L160-P205 HydrophobicContact CD2-CB 4Å; P205-E207 VanDerWaalsContact C-N 3.33Å; P205-E207 PolarHBondContact O-N 3.35Å; P205-H208 PolarHBondContact O-N 3.48Å; P205-M209 HydrophobicContact CB-CE 4.28Å; P205-M209 HydrophobicContact CB-SD 4.48Å; P205-M209 WeakPolarHBondContact O-CG 3.2Å; P205-M209 PolarHBondContact O-N 3.24Å
206	L	87.4	Confident	73.6	Confident	17 Å²	17	44 Å²	44	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-56.9	-35.1	174.1	-55.1	161.5	0	0	0	114.3	S204 M209 R210 Q240	S204-L206 PolarHBondContact O-N 2.99Å; L206-M209 HydrophobicContact CD2-SD 4.27Å; L206-M209 WeakPolarHBondContact O-CB 3.12Å; L206-M209 PolarHBondContact O-N 3.48Å; L206-R210 VanDerWaalsContact O-CG 3.29Å; L206-R210 WeakPolarHBondContact O-CG 2.97Å; L206-R210 PolarHBondContact O-N 2.93Å; L206-Q240 VanDerWaalsContact CD1-CD 3.47Å; L206-Q240 VanDerWaalsContact CD1-OE1 3.29Å
207	E	87.1	Confident	74.8	Confident	54 Å²	54	40.7 Å²	40.7	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-73.2	-38.7	179.3	-77.1	175.5	-121.2	0	0	111.8	Q203 S204 P205 M209 R210 S211	Q203-E207 HydrophobicContact CB-CB 4.15Å; Q203-E207 HydrophobicContact CG-CB 4.34Å; Q203-E207 WeakPolarHBondContact CG-OE2 3.33Å; Q203-E207 PolarHBondContact NE2-OE2 3.11Å; S204-E207 PolarHBondContact O-N 3.43Å; P205-E207 VanDerWaalsContact C-N 3.33Å; P205-E207 PolarHBondContact O-N 3.35Å; E207-M209 VanDerWaalsContact C-N 3.32Å; E207-R210 VanDerWaalsContact CG-NH1 3.29Å; E207-R210 PolarHBondContact O-N 2.95Å; E207-S211 WeakPolarHBondContact O-CB 3.26Å; E207-S211 PolarHBondContact O-N 3.2Å; E207-S211 PolarHBondContact O-OG 3.39Å
208	H	88.9	Confident	76.4	Confident	15 Å²	15	36.2 Å²	36.2	7%	0.069	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-40.3	169.3	-64	130.4	0	0	0	111.2	I154 Q158 L160 P205 S211 V212	I154-H208 HydrophobicContact CG2-CB 3.99Å; Q158-H208 PolarHBondContact OE1-CE1 3.4Å; Q158-H208 VanDerWaalsContact OE1-CE1 3.32Å; L160-H208 HydrophobicContact CD1-CB 3.99Å; L160-H208 HydrophobicContact CD2-CB 3.89Å; P205-H208 PolarHBondContact O-N 3.48Å; H208-S211 PolarHBondContact O-N 2.92Å; H208-V212 WeakPolarHBondContact O-CG2 3.44Å; H208-V212 PolarHBondContact O-N 2.9Å
209	M	91.9	Very high	78.6	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-46	173.8	-67.4	158.9	169.2	0	0	112.2	L160 P205 L206 E207 S211 V212 V213 V242 E243 F246	L160-M209 HydrophobicContact CB-CE 4.36Å; L160-M209 HydrophobicContact CD1-CG 4.14Å; P205-M209 HydrophobicContact CB-CE 4.28Å; P205-M209 HydrophobicContact CB-SD 4.48Å; P205-M209 WeakPolarHBondContact O-CG 3.2Å; P205-M209 PolarHBondContact O-N 3.24Å; L206-M209 HydrophobicContact CD2-SD 4.27Å; L206-M209 WeakPolarHBondContact O-CB 3.12Å; L206-M209 PolarHBondContact O-N 3.48Å; E207-M209 VanDerWaalsContact C-N 3.32Å; M209-S211 VanDerWaalsContact C-N 3.29Å; M209-S211 PolarHBondContact O-N 3.17Å; M209-V212 PolarHBondContact O-N 3.3Å; M209-V213 WeakPolarHBondContact O-CG2 3.48Å; M209-V213 PolarHBondContact O-N 2.76Å; M209-V242 HydrophobicContact CB-CG1 4.32Å; M209-E243 WeakPolarHBondContact CE-OE1 3.49Å; M209-E243 WeakPolarHBondContact CE-OE2 3.46Å; M209-F246 HydrophobicContact CB-CB 3.97Å; M209-F246 HydrophobicContact CB-CD1 4.45Å; M209-F246 HydrophobicContact CB-CD2 3.76Å; M209-F246 HydrophobicContact CB-CE2 4.37Å; M209-F246 HydrophobicContact CB-CG 3.81Å; M209-F246 HydrophobicContact CE-CD1 4.05Å; M209-F246 HydrophobicContact CE-CE1 3.97Å; M209-F246 HydrophobicContact CG-CB 4.2Å; M209-F246 HydrophobicContact CG-CD1 3.78Å; M209-F246 HydrophobicContact CG-CD2 3.72Å; M209-F246 HydrophobicContact CG-CE1 4.04Å; M209-F246 HydrophobicContact CG-CE2 3.96Å; M209-F246 HydrophobicContact CG-CG 3.62Å; M209-F246 HydrophobicContact CG-CZ 4.13Å; M209-F246 HydrophobicContact SD-CD1 4.35Å
210	R	92.1	Very high	80.8	Confident	41 Å²	41	32.5 Å²	32.5	16%	0.155	19%	0.19	C	C	.	.	H	α-helix	trans	-55.4	-45.7	172	-73.4	174.1	-166.8	128.6	11.2	111.2	L206 E207 V212 V213 Q214 L235 G239 V242	L206-R210 VanDerWaalsContact O-CG 3.29Å; L206-R210 WeakPolarHBondContact O-CG 2.97Å; L206-R210 PolarHBondContact O-N 2.93Å; E207-R210 VanDerWaalsContact CG-NH1 3.29Å; E207-R210 PolarHBondContact O-N 2.95Å; R210-V212 PolarHBondContact O-N 3.15Å; R210-V213 PolarHBondContact O-N 3.47Å; R210-Q214 WeakPolarHBondContact O-CB 3.45Å; R210-Q214 PolarHBondContact O-N 2.87Å; R210-L235 HydrophobicContact CB-CB 4.47Å; R210-L235 WeakPolarHBondContact CD-O 3.41Å; R210-L235 HydrophobicContact CG-CB 4.2Å; R210-L235 PolarHBondContact NE-O 3.01Å; R210-G239 PolarHBondContact NH2-O 3.16Å; R210-V242 HydrophobicContact CG-CB 4.33Å; R210-V242 HydrophobicContact CG-CG1 3.81Å; R210-V242 HydrophobicContact CG-CG2 3.85Å
211	S	92.3	Very high	83.6	Confident	27 Å²	27	29.4 Å²	29.4	19%	0.189	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-38.4	-178.2	-55	0	0	0	0	111.7	E207 H208 M209 H215	E207-S211 WeakPolarHBondContact O-CB 3.26Å; E207-S211 PolarHBondContact O-N 3.2Å; E207-S211 PolarHBondContact O-OG 3.39Å; H208-S211 PolarHBondContact O-N 2.92Å; M209-S211 VanDerWaalsContact C-N 3.29Å; M209-S211 PolarHBondContact O-N 3.17Å; S211-H215 WeakPolarHBondContact O-CB 3.42Å; S211-H215 PolarHBondContact O-N 3.04Å
212	V	94.3	Very high	86.2	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-51.7	172.6	168.5	0	0	0	0	111.4	Y150 Q151 I154 H208 M209 R210 Q214 H215 T216 F246 L250	Y150-V212 HydrophobicContact CD1-CG2 4.39Å; Y150-V212 HydrophobicContact CE1-CG2 4.17Å; Q151-V212 HydrophobicContact CB-CG1 3.86Å; Q151-V212 HydrophobicContact CG-CG1 3.61Å; I154-V212 HydrophobicContact CB-CG2 3.77Å; I154-V212 HydrophobicContact CG1-CG2 4.38Å; I154-V212 HydrophobicContact CG2-CG2 3.84Å; H208-V212 WeakPolarHBondContact O-CG2 3.44Å; H208-V212 PolarHBondContact O-N 2.9Å; M209-V212 PolarHBondContact O-N 3.3Å; R210-V212 PolarHBondContact O-N 3.15Å; V212-Q214 VanDerWaalsContact C-N 3.34Å; V212-Q214 PolarHBondContact O-N 3.11Å; V212-H215 PolarHBondContact O-N 3.18Å; V212-T216 WeakPolarHBondContact O-CB 3.09Å; V212-T216 PolarHBondContact O-N 3.37Å; V212-T216 PolarHBondContact O-OG1 2.8Å; V212-F246 HydrophobicContact CB-CD2 4.14Å; V212-F246 HydrophobicContact CB-CE2 4.02Å; V212-F246 HydrophobicContact CG1-CD2 3.99Å; V212-F246 HydrophobicContact CG1-CE2 3.83Å; V212-F246 HydrophobicContact CG2-CE2 4.29Å; V212-L250 HydrophobicContact CG1-CD1 4.15Å
213	V	94.9	Very high	88.5	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-46.4	178.8	173.5	0	0	0	0	110.7	M209 R210 I217 L235 F246 V249 I279	M209-V213 WeakPolarHBondContact O-CG2 3.48Å; M209-V213 PolarHBondContact O-N 2.76Å; R210-V213 PolarHBondContact O-N 3.47Å; V213-I217 HydrophobicContact CG1-CD1 3.72Å; V213-I217 WeakPolarHBondContact O-CB 3.41Å; V213-I217 VanDerWaalsContact O-CG1 3.29Å; V213-I217 WeakPolarHBondContact O-CG1 3.43Å; V213-I217 PolarHBondContact O-N 2.97Å; V213-I217 VanDerWaalsContact O-N 3.11Å; V213-L235 HydrophobicContact CB-CD2 4.28Å; V213-L235 HydrophobicContact CG1-CD1 4.28Å; V213-L235 HydrophobicContact CG1-CD2 3.84Å; V213-F246 HydrophobicContact CG2-CB 3.96Å; V213-V249 HydrophobicContact CG1-CG2 4.4Å; V213-V249 HydrophobicContact CG2-CG2 4.29Å; V213-I279 HydrophobicContact CG1-CD1 4.02Å
214	Q	93.9	Very high	89.9	Confident	22 Å²	22	25 Å²	25	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-49.5	177.5	-169	-175.2	-58.5	0	0	111.9	R210 V212 Q218 L231 A232 L235 C296	R210-Q214 WeakPolarHBondContact O-CB 3.45Å; R210-Q214 PolarHBondContact O-N 2.87Å; V212-Q214 VanDerWaalsContact C-N 3.34Å; V212-Q214 PolarHBondContact O-N 3.11Å; Q214-Q218 WeakPolarHBondContact O-CB 3.2Å; Q214-Q218 WeakPolarHBondContact O-CG 3.23Å; Q214-Q218 PolarHBondContact O-N 3.01Å; Q214-Q218 VanDerWaalsContact O-N 3.08Å; Q214-L231 HydrophobicContact CG-CD2 4.24Å; Q214-L231 HydrophobicContact CG-CG 4.43Å; Q214-A232 VanDerWaalsContact OE1-CB 3.23Å; Q214-L235 HydrophobicContact CB-CD1 3.7Å; Q214-L235 HydrophobicContact CG-CD1 4.3Å; Q214-C296 PolarHBondContact NE2-SG 3.43Å
215	H	94.4	Very high	90.7	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-63.9	-47.7	-178.2	-174.4	-80.9	0	0	0	111.5	Y150 S211 V212 Q218 A219 C296	Y150-H215 WeakPolarHBondContact CB-ND1 3.45Å; Y150-H215 HydrophobicContact CD1-CB 3.59Å; Y150-H215 AromaticContact CD1-CG 3.59Å; Y150-H215 AromaticContact CD1-ND1 3.78Å; Y150-H215 AromaticContact CD2-CD2 3.87Å; Y150-H215 AromaticContact CD2-CG 3.96Å; Y150-H215 HydrophobicContact CE1-CB 3.62Å; Y150-H215 AromaticContact CE1-CG 3.97Å; Y150-H215 HydrophobicContact CG-CB 4.13Å; Y150-H215 AromaticContact CG-CD2 3.97Å; Y150-H215 AromaticContact CG-CE1 3.87Å; Y150-H215 AromaticContact CG-CG 3.59Å; Y150-H215 AromaticContact CG-ND1 3.52Å; S211-H215 WeakPolarHBondContact O-CB 3.42Å; S211-H215 PolarHBondContact O-N 3.04Å; V212-H215 PolarHBondContact O-N 3.18Å; H215-Q218 PolarHBondContact O-N 3.23Å; H215-A219 VanDerWaalsContact O-CB 3.25Å; H215-A219 WeakPolarHBondContact O-CB 3.05Å; H215-A219 PolarHBondContact O-N 3.07Å; H215-C296 HydrophobicContact CB-CB 3.94Å
216	T	94.9	Very high	91	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.1	-45.3	-178.7	-65.1	0	0	0	0	112.4	V212 Q218 A219 A220 V249 L253 L272	V212-T216 WeakPolarHBondContact O-CB 3.09Å; V212-T216 PolarHBondContact O-N 3.37Å; V212-T216 PolarHBondContact O-OG1 2.8Å; T216-Q218 PolarHBondContact O-N 3.11Å; T216-A219 PolarHBondContact O-N 3.05Å; T216-A220 PolarHBondContact O-N 2.7Å; T216-A220 VanDerWaalsContact O-N 3.1Å; T216-V249 HydrophobicContact CG2-CG1 3.75Å; T216-L253 HydrophobicContact CG2-CD1 3.9Å; T216-L253 HydrophobicContact CG2-CD2 3.9Å; T216-L253 HydrophobicContact CG2-CG 4.18Å; T216-L272 HydrophobicContact CG2-CD1 4.16Å; T216-L272 HydrophobicContact CG2-CD2 4.37Å
217	I	94.3	Very high	91.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-44.2	178.6	-69.2	174.8	0	0	0	110.6	V213 A219 L221 L231 L272 Y276 I279	V213-I217 HydrophobicContact CG1-CD1 3.72Å; V213-I217 WeakPolarHBondContact O-CB 3.41Å; V213-I217 VanDerWaalsContact O-CG1 3.29Å; V213-I217 WeakPolarHBondContact O-CG1 3.43Å; V213-I217 PolarHBondContact O-N 2.97Å; V213-I217 VanDerWaalsContact O-N 3.11Å; I217-A219 PolarHBondContact O-N 3.24Å; I217-L221 HydrophobicContact CG2-CD1 3.69Å; I217-L221 HydrophobicContact CG2-CG 4.32Å; I217-L221 WeakPolarHBondContact O-CB 3.26Å; I217-L221 WeakPolarHBondContact O-CG 3.24Å; I217-L221 PolarHBondContact O-N 2.94Å; I217-L231 HydrophobicContact CB-CD2 3.93Å; I217-L231 HydrophobicContact CD1-CD1 4.46Å; I217-L231 HydrophobicContact CD1-CD2 4.46Å; I217-L231 HydrophobicContact CG2-CD2 3.72Å; I217-L272 HydrophobicContact CG1-CD2 4.34Å; I217-Y276 HydrophobicContact CG2-CD2 3.9Å; I217-Y276 HydrophobicContact CG2-CG 4.23Å; I217-I279 HydrophobicContact CD1-CD1 4.04Å
218	Q	93.9	Very high	91.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-41.3	175.8	-71.6	-176.8	132.1	0	0	112.6	A104 Q214 H215 T216 A220 G222 L231 M293 C294	A104-Q218 CarbonylContact O-C 3.47Å; A104-Q218 VanDerWaalsContact O-C 3.32Å; Q214-Q218 WeakPolarHBondContact O-CB 3.2Å; Q214-Q218 WeakPolarHBondContact O-CG 3.23Å; Q214-Q218 PolarHBondContact O-N 3.01Å; Q214-Q218 VanDerWaalsContact O-N 3.08Å; H215-Q218 PolarHBondContact O-N 3.23Å; T216-Q218 PolarHBondContact O-N 3.11Å; Q218-A220 PolarHBondContact O-N 2.76Å; Q218-G222 VanDerWaalsContact O-CA 3.29Å; Q218-G222 WeakPolarHBondContact O-CA 3.42Å; Q218-G222 PolarHBondContact O-N 3.43Å; Q218-L231 HydrophobicContact CG-CD2 4.45Å; Q218-M293 HydrophobicContact CB-SD 3.83Å; Q218-M293 HydrophobicContact CG-CE 4.47Å; Q218-M293 HydrophobicContact CG-SD 3.95Å; Q218-C294 PolarHBondContact NE2-O 2.64Å; Q218-C294 PolarHBondContact OE1-O 3.39Å
219	A	93.3	Very high	91.2	Very high	7 Å²	7	24.8 Å²	24.8	6%	0.058	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-35.8	-177.3	0	0	0	0	0	112.8	A104 Y105 P146 H215 T216 I217	A104-A219 WeakPolarHBondContact O-CA 3.41Å; A104-A219 PolarHBondContact O-N 3.39Å; A104-A219 VanDerWaalsContact O-N 3.12Å; Y105-A219 WeakPolarHBondContact CD2-O 3.13Å; P146-A219 HydrophobicContact CB-CB 3.91Å; P146-A219 VanDerWaalsContact CB-O 3.3Å; P146-A219 WeakPolarHBondContact CB-O 3.16Å; H215-A219 VanDerWaalsContact O-CB 3.25Å; H215-A219 WeakPolarHBondContact O-CB 3.05Å; H215-A219 PolarHBondContact O-N 3.07Å; T216-A219 PolarHBondContact O-N 3.05Å; I217-A219 PolarHBondContact O-N 3.24Å
220	A	92.4	Very high	91.1	Very high	11 Å²	11	29.1 Å²	29.1	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-84.1	-43.7	-179.9	0	0	0	0	0	113.5	T216 Q218 L272	T216-A220 PolarHBondContact O-N 2.7Å; T216-A220 VanDerWaalsContact O-N 3.1Å; Q218-A220 PolarHBondContact O-N 2.76Å; A220-L272 HydrophobicContact CB-CD1 3.36Å
221	L	90.8	Very high	91	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.063	14%	0.141	C	C	.	.	H	α-helix	trans	-86.2	-29.4	-175.1	-59.4	-173.8	0	0	0	113.2	I217 H225 C226 L272 Q273 Y276	I217-L221 HydrophobicContact CG2-CD1 3.69Å; I217-L221 HydrophobicContact CG2-CG 4.32Å; I217-L221 WeakPolarHBondContact O-CB 3.26Å; I217-L221 WeakPolarHBondContact O-CG 3.24Å; I217-L221 PolarHBondContact O-N 2.94Å; L221-H225 HydrophobicContact CB-CB 4.12Å; L221-C226 HydrophobicContact CB-CB 3.92Å; L221-C226 HydrophobicContact CD1-CB 4.38Å; L221-L272 HydrophobicContact CD2-CB 4.36Å; L221-Q273 HydrophobicContact CD2-CB 4.12Å; L221-Y276 HydrophobicContact CD1-CD1 4.42Å; L221-Y276 HydrophobicContact CD1-CG 4.05Å
222	G	89.2	Confident	90.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	63.4	-175.8	-179.2	0	0	0	0	0	115	Q218 Q224 H225 C226	Q218-G222 VanDerWaalsContact O-CA 3.29Å; Q218-G222 WeakPolarHBondContact O-CA 3.42Å; Q218-G222 PolarHBondContact O-N 3.43Å; G222-Q224 PolarHBondContact O-N 3.42Å; G222-Q224 VanDerWaalsContact O-N 3.13Å; G222-H225 PolarHBondContact O-N 2.94Å; G222-C226 WeakPolarHBondContact O-CB 3.43Å; G222-C226 PolarHBondContact O-N 2.63Å
223	P	86.3	Confident	90.7	Very high	52 Å²	52	30 Å²	30	34%	0.338	15%	0.153	S	C	.	.	H	α-helix	trans	-70.9	-8.1	-173.5	29.4	-36.8	0	0	0	114.4	Y105 G290 G291 M293	Y105-P223 VanDerWaalsContact CD1-CD 3.45Å; Y105-P223 HydrophobicContact CD1-CG 4.25Å; Y105-P223 HydrophobicContact CE1-CG 4.36Å; P223-G290 CarbonylContact O-C 3.59Å; P223-G290 WeakPolarHBondContact O-CA 3.43Å; P223-G291 PolarHBondContact O-N 2.91Å; P223-M293 HydrophobicContact CB-CE 4.31Å
224	Q	85.2	Confident	90.5	Very high	144 Å²	144	30.3 Å²	30.3	67%	0.673	16%	0.155	S	C	*	.	H	α-helix	trans	-83.8	-30.1	177.7	-62.5	-176.7	25.9	0	0	112.4	G222	G222-Q224 PolarHBondContact O-N 3.42Å; G222-Q224 VanDerWaalsContact O-N 3.13Å
225	H	85.3	Confident	90.3	Very high	106 Å²	106	29.3 Å²	29.3	49%	0.491	15%	0.151	S	C	.	.	H	α-helix	trans	-123.9	-12.1	-171.1	-58.4	-57.6	0	0	0	114.2	L221 G222 Y276	L221-H225 HydrophobicContact CB-CB 4.12Å; G222-H225 PolarHBondContact O-N 2.94Å; H225-Y276 WeakPolarHBondContact O-CE1 3.09Å
226	C	88.6	Confident	90	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.			trans	-117.8	143.9	173.2	178.1	0	0	0	0	111.2	L221 G222 Y276 G291 M293	L221-C226 HydrophobicContact CB-CB 3.92Å; L221-C226 HydrophobicContact CD1-CB 4.38Å; G222-C226 WeakPolarHBondContact O-CB 3.43Å; G222-C226 PolarHBondContact O-N 2.63Å; C226-Y276 HydrophobicContact CB-CE2 4.28Å; C226-G291 PolarHBondContact O-N 2.81Å; C226-M293 HydrophobicContact CB-CE 4.18Å; C226-M293 VanDerWaalsContact O-CE 3.24Å; C226-M293 WeakPolarHBondContact O-CE 3.48Å
227	H	89.6	Confident	89.7	Confident	42 Å²	42	41.5 Å²	41.5	19%	0.194	21%	0.205	C	C	.	.			trans	-115.8	97.8	170.7	-174.2	-48.1	0	0	0	109.3	P229 K230 L231 Y276	H227-P229 WeakPolarHBondContact ND1-CD 3.48Å; H227-K230 HydrophobicContact CB-CB 4.37Å; H227-K230 HydrophobicContact CB-CD 4.41Å; H227-K230 HydrophobicContact CB-CG 4.49Å; H227-K230 PolarHBondContact O-N 3.46Å; H227-L231 PolarHBondContact O-N 2.85Å; H227-Y276 PolarHBondContact N-OH 3.41Å
228	G	88.1	Confident	89.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-49.4	-53	-170.5	0	0	0	0	0	114.7	K230 L231 A232 P292 C294	G228-K230 VanDerWaalsContact C-N 3.31Å; G228-K230 PolarHBondContact O-N 3.37Å; G228-L231 PolarHBondContact O-N 2.76Å; G228-A232 WeakPolarHBondContact O-CB 3.38Å; G228-A232 PolarHBondContact O-N 2.76Å; G228-P292 WeakPolarHBondContact CA-O 3.45Å; G228-P292 PolarHBondContact N-O 3.09Å; G228-C294 VanDerWaalsContact C-SG 3.54Å
229	P	89.8	Confident	88.7	Confident	52 Å²	52	44.8 Å²	44.8	34%	0.338	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-32.2	179.3	-28.5	32.3	0	0	0	115.6	H227 Q233 P292 C294	H227-P229 WeakPolarHBondContact ND1-CD 3.48Å; P229-Q233 WeakPolarHBondContact O-CB 3.47Å; P229-Q233 PolarHBondContact O-N 3.05Å; P229-P292 WeakPolarHBondContact CD-O 3.1Å; P229-P292 HydrophobicContact CG-CG 4.13Å; P229-C294 VanDerWaalsContact CD-SG 3.52Å; P229-C294 VanDerWaalsContact N-SG 3.39Å
230	K	89.5	Confident	88	Confident	93 Å²	93	50.9 Å²	50.9	40%	0.404	26%	0.255	S	S	.	.	H	α-helix	trans	-73	-43.7	177.8	-72	-173.8	179.1	-170.4	0	110.2	H227 G228 Q233 A234	H227-K230 HydrophobicContact CB-CB 4.37Å; H227-K230 HydrophobicContact CB-CD 4.41Å; H227-K230 HydrophobicContact CB-CG 4.49Å; H227-K230 PolarHBondContact O-N 3.46Å; G228-K230 VanDerWaalsContact C-N 3.31Å; G228-K230 PolarHBondContact O-N 3.37Å; K230-Q233 PolarHBondContact O-N 3.41Å; K230-A234 PolarHBondContact O-N 3.09Å
231	L	90.9	Very high	87.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-46.9	174.2	-179.7	59.3	0	0	0	111.9	Q214 I217 Q218 H227 G228 Q233 A234 L235 Y276 I279 V280	Q214-L231 HydrophobicContact CG-CD2 4.24Å; Q214-L231 HydrophobicContact CG-CG 4.43Å; I217-L231 HydrophobicContact CB-CD2 3.93Å; I217-L231 HydrophobicContact CD1-CD1 4.46Å; I217-L231 HydrophobicContact CD1-CD2 4.46Å; I217-L231 HydrophobicContact CG2-CD2 3.72Å; Q218-L231 HydrophobicContact CG-CD2 4.45Å; H227-L231 PolarHBondContact O-N 2.85Å; G228-L231 PolarHBondContact O-N 2.76Å; L231-Q233 VanDerWaalsContact C-N 3.29Å; L231-Q233 PolarHBondContact O-N 2.97Å; L231-A234 PolarHBondContact O-N 3.22Å; L231-L235 HydrophobicContact CD1-CD1 3.88Å; L231-L235 HydrophobicContact CD1-CG 4.11Å; L231-L235 HydrophobicContact CG-CD1 3.81Å; L231-L235 HydrophobicContact CG-CG 4.47Å; L231-L235 WeakPolarHBondContact O-CB 3.49Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.29Å; L231-L235 PolarHBondContact O-N 3.18Å; L231-Y276 HydrophobicContact CB-CD2 4.47Å; L231-Y276 HydrophobicContact CB-CE2 4.15Å; L231-Y276 HydrophobicContact CD1-CD2 4.17Å; L231-Y276 HydrophobicContact CD2-CD2 4.26Å; L231-I279 HydrophobicContact CD1-CB 4.43Å; L231-I279 HydrophobicContact CD1-CD1 4.48Å; L231-I279 HydrophobicContact CD1-CG2 3.76Å; L231-V280 HydrophobicContact CD1-CG2 4.47Å
232	A	89.9	Confident	87.7	Confident	11 Å²	11	55.8 Å²	55.8	9%	0.091	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-37.1	177.5	0	0	0	0	0	112.3	Q214 G228 R236	Q214-A232 VanDerWaalsContact OE1-CB 3.23Å; G228-A232 WeakPolarHBondContact O-CB 3.38Å; G228-A232 PolarHBondContact O-N 2.76Å; A232-R236 WeakPolarHBondContact O-CG 3.44Å; A232-R236 PolarHBondContact O-N 2.8Å
233	Q	89.9	Confident	87.8	Confident	76 Å²	76	58.6 Å²	58.6	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-67.2	-52.7	174.7	-176.1	57	35.8	0	0	111.5	P229 K230 L231 L235 R236 D237	P229-Q233 WeakPolarHBondContact O-CB 3.47Å; P229-Q233 PolarHBondContact O-N 3.05Å; K230-Q233 PolarHBondContact O-N 3.41Å; L231-Q233 VanDerWaalsContact C-N 3.29Å; L231-Q233 PolarHBondContact O-N 2.97Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 2.7Å; Q233-R236 WeakPolarHBondContact O-CB 3.3Å; Q233-R236 PolarHBondContact O-N 3.23Å; Q233-D237 WeakPolarHBondContact CG-OD2 3.24Å; Q233-D237 PolarHBondContact NE2-OD1 2.84Å; Q233-D237 PolarHBondContact NE2-OD2 2.86Å; Q233-D237 PolarHBondContact O-N 2.9Å
234	A	90.1	Very high	88	Confident	5 Å²	5	59.8 Å²	59.8	4%	0.041	30%	0.296	C	S	.	.	H	α-helix	trans	-57.4	-43.2	179	0	0	0	0	0	112.6	K230 L231 R236 D237 M238 I279	K230-A234 PolarHBondContact O-N 3.09Å; L231-A234 PolarHBondContact O-N 3.22Å; A234-R236 VanDerWaalsContact C-N 3.27Å; A234-R236 PolarHBondContact O-N 2.96Å; A234-D237 PolarHBondContact O-N 3.2Å; A234-M238 WeakPolarHBondContact O-CG 3.41Å; A234-M238 PolarHBondContact O-N 2.87Å; A234-I279 HydrophobicContact CB-CG2 3.87Å; A234-I279 WeakPolarHBondContact CB-O 3.34Å
235	L	90.2	Very high	88.4	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-28.9	175.7	-74.9	168.8	0	0	0	113.7	R210 V213 Q214 L231 Q233 M238 V242 I279	R210-L235 HydrophobicContact CB-CB 4.47Å; R210-L235 WeakPolarHBondContact CD-O 3.41Å; R210-L235 HydrophobicContact CG-CB 4.2Å; R210-L235 PolarHBondContact NE-O 3.01Å; V213-L235 HydrophobicContact CB-CD2 4.28Å; V213-L235 HydrophobicContact CG1-CD1 4.28Å; V213-L235 HydrophobicContact CG1-CD2 3.84Å; Q214-L235 HydrophobicContact CB-CD1 3.7Å; Q214-L235 HydrophobicContact CG-CD1 4.3Å; L231-L235 HydrophobicContact CD1-CD1 3.88Å; L231-L235 HydrophobicContact CD1-CG 4.11Å; L231-L235 HydrophobicContact CG-CD1 3.81Å; L231-L235 HydrophobicContact CG-CG 4.47Å; L231-L235 WeakPolarHBondContact O-CB 3.49Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.29Å; L231-L235 PolarHBondContact O-N 3.18Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 2.7Å; L235-M238 HydrophobicContact CD2-CE 3.7Å; L235-M238 HydrophobicContact CG-CE 4.45Å; L235-V242 HydrophobicContact CD2-CG1 4.24Å; L235-V242 HydrophobicContact CD2-CG2 4.49Å; L235-I279 HydrophobicContact CD2-CD1 4.45Å; L235-I279 HydrophobicContact CD2-CG2 4.37Å; L235-I279 HydrophobicContact CG-CG2 4.34Å
236	R	88.1	Confident	88.8	Confident	152 Å²	152	50.5 Å²	50.5	57%	0.574	25%	0.251	S	S	*	.	H	α-helix	trans	-74	-44.8	171.6	-73.7	-174.4	-62.5	-144.5	4.3	111.3	A232 Q233 A234 M238 G239	A232-R236 WeakPolarHBondContact O-CG 3.44Å; A232-R236 PolarHBondContact O-N 2.8Å; Q233-R236 WeakPolarHBondContact O-CB 3.3Å; Q233-R236 PolarHBondContact O-N 3.23Å; A234-R236 VanDerWaalsContact C-N 3.27Å; A234-R236 PolarHBondContact O-N 2.96Å; R236-M238 VanDerWaalsContact C-N 3.34Å; R236-M238 PolarHBondContact O-N 2.72Å; R236-G239 PolarHBondContact O-N 2.9Å
237	D	87.8	Confident	89	Confident	107 Å²	107	52.4 Å²	52.4	57%	0.572	26%	0.26	S	S	*	.	H	α-helix	trans	-68.4	-30.8	-175.5	-63.8	-27.1	0	0	0	112.7	Q233 A234 G239	Q233-D237 WeakPolarHBondContact CG-OD2 3.24Å; Q233-D237 PolarHBondContact NE2-OD1 2.84Å; Q233-D237 PolarHBondContact NE2-OD2 2.86Å; Q233-D237 PolarHBondContact O-N 2.9Å; A234-D237 PolarHBondContact O-N 3.2Å; D237-G239 PolarHBondContact O-N 3.35Å
238	M	84.9	Confident	89.2	Confident	42 Å²	42	53.2 Å²	53.2	21%	0.207	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.2	176.4	-74.7	-166.8	-56.3	0	0	115.3	A234 L235 R236 Q240 E241 V242 Y245 I279	A234-M238 WeakPolarHBondContact O-CG 3.41Å; A234-M238 PolarHBondContact O-N 2.87Å; L235-M238 HydrophobicContact CD2-CE 3.7Å; L235-M238 HydrophobicContact CG-CE 4.45Å; R236-M238 VanDerWaalsContact C-N 3.34Å; R236-M238 PolarHBondContact O-N 2.72Å; M238-Q240 PolarHBondContact O-N 2.88Å; M238-E241 HydrophobicContact CB-CB 4.41Å; M238-E241 PolarHBondContact O-N 2.92Å; M238-E241 VanDerWaalsContact O-N 3.09Å; M238-V242 HydrophobicContact CB-CG2 4.2Å; M238-V242 HydrophobicContact CE-CG2 4.33Å; M238-Y245 HydrophobicContact CE-CD2 3.91Å; M238-Y245 HydrophobicContact CE-CE2 3.98Å; M238-Y245 HydrophobicContact SD-CD2 4.08Å; M238-Y245 HydrophobicContact SD-CE2 3.55Å; M238-Y245 VanDerWaalsContact SD-CE2 3.55Å; M238-I279 HydrophobicContact CE-CB 4.36Å; M238-I279 HydrophobicContact CE-CG1 4.06Å; M238-I279 HydrophobicContact CE-CG2 3.66Å; M238-I279 HydrophobicContact SD-CG2 4.42Å
239	G	81.9	Confident	89.5	Confident	26 Å²	26	53.2 Å²	53.2	27%	0.268	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	-111.5	174	0	0	0	0	0	114	R210 R236 D237	R210-G239 PolarHBondContact NH2-O 3.16Å; R236-G239 PolarHBondContact O-N 2.9Å; D237-G239 PolarHBondContact O-N 3.35Å
240	Q	80.4	Confident	89.6	Confident	135 Å²	135	50.8 Å²	50.8	63%	0.631	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-22.6	-178.9	-63.9	-71.7	-31.5	0	0	113.3	L206 M238 V242 E243	L206-Q240 VanDerWaalsContact CD1-CD 3.47Å; L206-Q240 VanDerWaalsContact CD1-OE1 3.29Å; M238-Q240 PolarHBondContact O-N 2.88Å; Q240-V242 PolarHBondContact O-N 3.49Å; Q240-E243 PolarHBondContact O-N 2.75Å
241	E	85.8	Confident	89.7	Confident	127 Å²	127	47.5 Å²	47.5	59%	0.593	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	9.9	-174.9	-57.4	-57.9	139.2	0	0	113.6	M238 P244 Y245	M238-E241 HydrophobicContact CB-CB 4.41Å; M238-E241 PolarHBondContact O-N 2.92Å; M238-E241 VanDerWaalsContact O-N 3.09Å; E241-P244 WeakPolarHBondContact O-CD 3.1Å; E241-Y245 VanDerWaalsContact O-CD2 3.23Å; E241-Y245 WeakPolarHBondContact O-CD2 3.48Å
242	V	89.6	Confident	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-80.1	-27	176.7	-177.6	0	0	0	0	112	M209 R210 L235 M238 Q240 Y245 F246	M209-V242 HydrophobicContact CB-CG1 4.32Å; R210-V242 HydrophobicContact CG-CB 4.33Å; R210-V242 HydrophobicContact CG-CG1 3.81Å; R210-V242 HydrophobicContact CG-CG2 3.85Å; L235-V242 HydrophobicContact CD2-CG1 4.24Å; L235-V242 HydrophobicContact CD2-CG2 4.49Å; M238-V242 HydrophobicContact CB-CG2 4.2Å; M238-V242 HydrophobicContact CE-CG2 4.33Å; Q240-V242 PolarHBondContact O-N 3.49Å; V242-Y245 PolarHBondContact O-N 2.89Å; V242-F246 WeakPolarHBondContact O-CB 3.4Å; V242-F246 PolarHBondContact O-N 2.71Å
243	E	90.9	Very high	89.8	Confident	59 Å²	59	47.7 Å²	47.7	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-57.3	-45.7	-177.2	179.2	79.5	-110.4	0	0	113.2	M209 Q240 Y245 F246 Q247	M209-E243 WeakPolarHBondContact CE-OE1 3.49Å; M209-E243 WeakPolarHBondContact CE-OE2 3.46Å; Q240-E243 PolarHBondContact O-N 2.75Å; E243-Y245 PolarHBondContact O-N 2.7Å; E243-F246 WeakPolarHBondContact O-CB 3.25Å; E243-F246 PolarHBondContact O-N 2.87Å; E243-Q247 WeakPolarHBondContact O-CG 3.25Å; E243-Q247 PolarHBondContact O-N 3.35Å; E243-Q247 PolarHBondContact OE1-NE2 3.29Å
244	P	91.8	Very high	89.8	Confident	78 Å²	78	45.1 Å²	45.1	51%	0.506	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-45.9	175.9	-23.2	34.8	0	0	0	112.8	E241 F246 Q247 E248	E241-P244 WeakPolarHBondContact O-CD 3.1Å; P244-F246 VanDerWaalsContact C-N 3.3Å; P244-F246 PolarHBondContact O-N 3.33Å; P244-Q247 PolarHBondContact O-N 3.22Å; P244-E248 WeakPolarHBondContact O-CB 3.45Å; P244-E248 PolarHBondContact O-N 2.9Å
245	Y	92.8	Very high	89.7	Confident	55 Å²	55	49.4 Å²	49.4	22%	0.216	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-36.6	176.8	-65.7	-63.1	0	0	0	112.3	M238 E241 V242 E243 E248 V249 L275 E278 I279	M238-Y245 HydrophobicContact CE-CD2 3.91Å; M238-Y245 HydrophobicContact CE-CE2 3.98Å; M238-Y245 HydrophobicContact SD-CD2 4.08Å; M238-Y245 HydrophobicContact SD-CE2 3.55Å; M238-Y245 VanDerWaalsContact SD-CE2 3.55Å; E241-Y245 VanDerWaalsContact O-CD2 3.23Å; E241-Y245 WeakPolarHBondContact O-CD2 3.48Å; V242-Y245 PolarHBondContact O-N 2.89Å; E243-Y245 PolarHBondContact O-N 2.7Å; Y245-E248 PolarHBondContact O-N 2.96Å; Y245-V249 WeakPolarHBondContact O-CB 3.4Å; Y245-V249 VanDerWaalsContact O-CG2 3.29Å; Y245-V249 WeakPolarHBondContact O-CG2 3.29Å; Y245-V249 PolarHBondContact O-N 3.23Å; Y245-L275 HydrophobicContact CD1-CD2 3.88Å; Y245-L275 HydrophobicContact CE1-CD2 4.27Å; Y245-E278 HydrophobicContact CE1-CB 4.45Å; Y245-I279 HydrophobicContact CD1-CD1 4.14Å; Y245-I279 HydrophobicContact CD1-CG1 3.99Å; Y245-I279 HydrophobicContact CD2-CG1 4.23Å; Y245-I279 HydrophobicContact CE1-CG1 3.94Å; Y245-I279 HydrophobicContact CE2-CG1 4.2Å; Y245-I279 HydrophobicContact CG-CD1 4.13Å; Y245-I279 HydrophobicContact CG-CG1 4.12Å
246	F	93.8	Very high	89.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-50.6	173.3	169.3	-98.8	0	0	0	111.7	T155 L160 N162 M209 V212 V213 V242 E243 P244 E248 V249 L250	T155-F246 HydrophobicContact CG2-CZ 4.49Å; L160-F246 HydrophobicContact CB-CE1 4.41Å; L160-F246 HydrophobicContact CB-CZ 3.97Å; L160-F246 HydrophobicContact CD1-CE2 3.82Å; L160-F246 HydrophobicContact CD1-CZ 3.69Å; L160-F246 HydrophobicContact CG-CZ 4.5Å; N162-F246 HydrophobicContact CB-CE1 4.3Å; M209-F246 HydrophobicContact CB-CB 3.97Å; M209-F246 HydrophobicContact CB-CD1 4.45Å; M209-F246 HydrophobicContact CB-CD2 3.76Å; M209-F246 HydrophobicContact CB-CE2 4.37Å; M209-F246 HydrophobicContact CB-CG 3.81Å; M209-F246 HydrophobicContact CE-CD1 4.05Å; M209-F246 HydrophobicContact CE-CE1 3.97Å; M209-F246 HydrophobicContact CG-CB 4.2Å; M209-F246 HydrophobicContact CG-CD1 3.78Å; M209-F246 HydrophobicContact CG-CD2 3.72Å; M209-F246 HydrophobicContact CG-CE1 4.04Å; M209-F246 HydrophobicContact CG-CE2 3.96Å; M209-F246 HydrophobicContact CG-CG 3.62Å; M209-F246 HydrophobicContact CG-CZ 4.13Å; M209-F246 HydrophobicContact SD-CD1 4.35Å; V212-F246 HydrophobicContact CB-CD2 4.14Å; V212-F246 HydrophobicContact CB-CE2 4.02Å; V212-F246 HydrophobicContact CG1-CD2 3.99Å; V212-F246 HydrophobicContact CG1-CE2 3.83Å; V212-F246 HydrophobicContact CG2-CE2 4.29Å; V213-F246 HydrophobicContact CG2-CB 3.96Å; V242-F246 WeakPolarHBondContact O-CB 3.4Å; V242-F246 PolarHBondContact O-N 2.71Å; E243-F246 WeakPolarHBondContact O-CB 3.25Å; E243-F246 PolarHBondContact O-N 2.87Å; P244-F246 VanDerWaalsContact C-N 3.3Å; P244-F246 PolarHBondContact O-N 3.33Å; F246-E248 PolarHBondContact O-N 3.09Å; F246-V249 PolarHBondContact O-N 3.21Å; F246-L250 HydrophobicContact CD2-CD1 3.75Å; F246-L250 HydrophobicContact CE1-CD1 4.23Å; F246-L250 HydrophobicContact CE1-CD2 3.85Å; F246-L250 HydrophobicContact CE2-CD1 3.45Å; F246-L250 VanDerWaalsContact CE2-CD1 3.45Å; F246-L250 HydrophobicContact CE2-CD2 4.28Å; F246-L250 HydrophobicContact CG-CD1 4.28Å; F246-L250 HydrophobicContact CZ-CD1 3.71Å; F246-L250 HydrophobicContact CZ-CD2 3.64Å; F246-L250 HydrophobicContact CZ-CG 4.36Å; F246-L250 VanDerWaalsContact O-CD1 3.27Å; F246-L250 WeakPolarHBondContact O-CD1 3.45Å; F246-L250 PolarHBondContact O-N 3.36Å
247	Q	92.7	Very high	89.5	Confident	40 Å²	40	45.6 Å²	45.6	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-37	177.2	-64.6	-54.9	-33.5	0	0	112	K161 E243 P244 L250 A251	K161-Q247 PolarHBondContact O-NE2 3.41Å; E243-Q247 WeakPolarHBondContact O-CG 3.25Å; E243-Q247 PolarHBondContact O-N 3.35Å; E243-Q247 PolarHBondContact OE1-NE2 3.29Å; P244-Q247 PolarHBondContact O-N 3.22Å; Q247-L250 WeakPolarHBondContact O-CB 3.23Å; Q247-L250 PolarHBondContact O-N 2.87Å; Q247-A251 WeakPolarHBondContact O-CB 3.37Å; Q247-A251 PolarHBondContact O-N 2.88Å
248	E	93.3	Very high	89.2	Confident	59 Å²	59	48.7 Å²	48.7	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-74.1	-37.9	-179.7	-150.9	-154.5	109.1	0	0	113.5	P244 Y245 F246 L250 A251 T252 R271 L275	P244-E248 WeakPolarHBondContact O-CB 3.45Å; P244-E248 PolarHBondContact O-N 2.9Å; Y245-E248 PolarHBondContact O-N 2.96Å; F246-E248 PolarHBondContact O-N 3.09Å; E248-L250 VanDerWaalsContact C-N 3.3Å; E248-L250 PolarHBondContact O-N 3.44Å; E248-A251 PolarHBondContact O-N 2.97Å; E248-T252 WeakPolarHBondContact O-CB 3.45Å; E248-T252 PolarHBondContact O-N 3.18Å; E248-T252 PolarHBondContact O-OG1 3.32Å; E248-R271 IonicContact OE1-CZ 2.7Å; E248-R271 IonicContact OE1-NE 3.91Å; E248-R271 PolarHBondContact OE1-NE 3.04Å; E248-R271 IonicContact OE1-NH2 2.84Å; E248-R271 PolarHBondContact OE1-NH2 3.05Å; E248-R271 IonicContact OE2-CZ 3.14Å; E248-R271 IonicContact OE2-NH2 3.76Å; E248-R271 PolarHBondContact OE2-NH2 3.49Å; E248-L275 WeakPolarHBondContact OE1-CD2 3.19Å
249	V	94.3	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-44.3	169.5	166.5	0	0	0	0	110	V213 T216 Y245 F246 T252 L253 L272 L275	V213-V249 HydrophobicContact CG1-CG2 4.4Å; V213-V249 HydrophobicContact CG2-CG2 4.29Å; T216-V249 HydrophobicContact CG2-CG1 3.75Å; Y245-V249 WeakPolarHBondContact O-CB 3.4Å; Y245-V249 VanDerWaalsContact O-CG2 3.29Å; Y245-V249 WeakPolarHBondContact O-CG2 3.29Å; Y245-V249 PolarHBondContact O-N 3.23Å; F246-V249 PolarHBondContact O-N 3.21Å; V249-T252 PolarHBondContact O-N 3.15Å; V249-L253 HydrophobicContact CG1-CD1 4.04Å; V249-L253 HydrophobicContact CG1-CG 4.45Å; V249-L253 WeakPolarHBondContact O-CB 3.39Å; V249-L253 VanDerWaalsContact O-CG 3.25Å; V249-L253 WeakPolarHBondContact O-CG 3.37Å; V249-L253 PolarHBondContact O-N 3.41Å; V249-L272 HydrophobicContact CG2-CD2 4.27Å; V249-L275 HydrophobicContact CG2-CD1 3.85Å
250	L	92.1	Very high	88.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-46.3	175.7	-95.1	67.4	0	0	0	112.2	Q151 T155 N162 H164 V212 F246 Q247 E248 T252 L253 E254	Q151-L250 HydrophobicContact CG-CD1 3.61Å; Q151-L250 HydrophobicContact CG-CG 4.13Å; T155-L250 HydrophobicContact CG2-CD2 4.12Å; N162-L250 HydrophobicContact CB-CD2 3.49Å; N162-L250 VanDerWaalsContact CB-CD2 3.49Å; H164-L250 HydrophobicContact CB-CB 4.4Å; V212-L250 HydrophobicContact CG1-CD1 4.15Å; F246-L250 HydrophobicContact CD2-CD1 3.75Å; F246-L250 HydrophobicContact CE1-CD1 4.23Å; F246-L250 HydrophobicContact CE1-CD2 3.85Å; F246-L250 HydrophobicContact CE2-CD1 3.45Å; F246-L250 VanDerWaalsContact CE2-CD1 3.45Å; F246-L250 HydrophobicContact CE2-CD2 4.28Å; F246-L250 HydrophobicContact CG-CD1 4.28Å; F246-L250 HydrophobicContact CZ-CD1 3.71Å; F246-L250 HydrophobicContact CZ-CD2 3.64Å; F246-L250 HydrophobicContact CZ-CG 4.36Å; F246-L250 VanDerWaalsContact O-CD1 3.27Å; F246-L250 WeakPolarHBondContact O-CD1 3.45Å; F246-L250 PolarHBondContact O-N 3.36Å; Q247-L250 WeakPolarHBondContact O-CB 3.23Å; Q247-L250 PolarHBondContact O-N 2.87Å; E248-L250 VanDerWaalsContact C-N 3.3Å; E248-L250 PolarHBondContact O-N 3.44Å; L250-T252 PolarHBondContact O-N 3.34Å; L250-L253 PolarHBondContact O-N 3.05Å; L250-E254 WeakPolarHBondContact O-CB 3.38Å; L250-E254 WeakPolarHBondContact O-CG 3.38Å; L250-E254 PolarHBondContact O-N 2.94Å
251	A	91.7	Very high	87.5	Confident	24 Å²	24	50.4 Å²	50.4	20%	0.198	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-47.9	176.6	0	0	0	0	0	111.7	Q247 E248 L253 E254 Q255	Q247-A251 WeakPolarHBondContact O-CB 3.37Å; Q247-A251 PolarHBondContact O-N 2.88Å; E248-A251 PolarHBondContact O-N 2.97Å; A251-L253 PolarHBondContact O-N 3.27Å; A251-E254 PolarHBondContact O-N 2.77Å; A251-Q255 WeakPolarHBondContact O-CB 3.27Å; A251-Q255 PolarHBondContact O-N 3.13Å
252	T	92.7	Very high	86	Confident	15 Å²	15	55.7 Å²	55.7	9%	0.092	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-44.2	-179.3	-55.3	0	0	0	0	111.6	E248 V249 L250 C256 L268 R271	E248-T252 WeakPolarHBondContact O-CB 3.45Å; E248-T252 PolarHBondContact O-N 3.18Å; E248-T252 PolarHBondContact O-OG1 3.32Å; V249-T252 PolarHBondContact O-N 3.15Å; L250-T252 PolarHBondContact O-N 3.34Å; T252-C256 PolarHBondContact O-N 3.25Å; T252-C256 PolarHBondContact O-SG 3.39Å; T252-L268 HydrophobicContact CG2-CD1 3.75Å; T252-R271 HydrophobicContact CG2-CB 4.07Å; T252-R271 HydrophobicContact CG2-CG 4.02Å
253	L	91.3	Very high	84.2	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-48.8	178.3	-72.7	174.8	0	0	0	112.2	I145 L148 Q151 T216 V249 L250 A251 C256 V257 L268	I145-L253 HydrophobicContact CG2-CD2 3.37Å; L148-L253 HydrophobicContact CD1-CB 3.96Å; L148-L253 HydrophobicContact CD1-CD1 4.39Å; Q151-L253 HydrophobicContact CB-CD1 3.87Å; Q151-L253 HydrophobicContact CG-CD1 3.73Å; T216-L253 HydrophobicContact CG2-CD1 3.9Å; T216-L253 HydrophobicContact CG2-CD2 3.9Å; T216-L253 HydrophobicContact CG2-CG 4.18Å; V249-L253 HydrophobicContact CG1-CD1 4.04Å; V249-L253 HydrophobicContact CG1-CG 4.45Å; V249-L253 WeakPolarHBondContact O-CB 3.39Å; V249-L253 VanDerWaalsContact O-CG 3.25Å; V249-L253 WeakPolarHBondContact O-CG 3.37Å; V249-L253 PolarHBondContact O-N 3.41Å; L250-L253 PolarHBondContact O-N 3.05Å; A251-L253 PolarHBondContact O-N 3.27Å; L253-C256 WeakPolarHBondContact O-CB 3.17Å; L253-C256 PolarHBondContact O-N 3.01Å; L253-V257 WeakPolarHBondContact O-CG2 3.36Å; L253-V257 PolarHBondContact O-N 2.74Å; L253-L268 HydrophobicContact CD2-CD1 4.31Å
254	E	89.6	Confident	82.4	Confident	22 Å²	22	63.6 Å²	63.6	10%	0.103	32%	0.319	C	S	.	.	H	α-helix	trans	-71.3	-36.1	-177.2	-68	-62.6	159.3	0	0	112	R152 H164 Y165 L250 A251 C256 V257 E258	R152-E254 IonicContact CZ-OE1 2.95Å; R152-E254 VanDerWaalsContact CZ-OE1 3.26Å; R152-E254 IonicContact CZ-OE2 3.18Å; R152-E254 IonicContact NE-OE1 3.85Å; R152-E254 PolarHBondContact NE-OE1 2.97Å; R152-E254 IonicContact NE-OE2 3.69Å; R152-E254 IonicContact NH2-OE1 3.68Å; R152-E254 PolarHBondContact NH2-OE1 3.21Å; R152-E254 IonicContact NH2-OE2 3.64Å; R152-E254 PolarHBondContact NH2-OE2 3.2Å; H164-E254 HydrophobicContact CB-CB 4.36Å; H164-E254 HydrophobicContact CB-CG 4.21Å; Y165-E254 VanDerWaalsContact CD2-OE1 3.3Å; Y165-E254 WeakPolarHBondContact CD2-OE1 3.39Å; L250-E254 WeakPolarHBondContact O-CB 3.38Å; L250-E254 WeakPolarHBondContact O-CG 3.38Å; L250-E254 PolarHBondContact O-N 2.94Å; A251-E254 PolarHBondContact O-N 2.77Å; E254-C256 VanDerWaalsContact C-N 3.29Å; E254-C256 PolarHBondContact O-N 3.28Å; E254-V257 WeakPolarHBondContact O-CA 3.01Å; E254-V257 WeakPolarHBondContact O-CB 3.35Å; E254-V257 PolarHBondContact O-N 3.34Å; E254-E258 PolarHBondContact O-N 3.42Å
255	Q	88.3	Confident	80.8	Confident	96 Å²	96	62.3 Å²	62.3	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-56.8	-43.4	170.3	-178.4	-179.4	-8.3	0	0	111.5	A251 V257 E258 E259	A251-Q255 WeakPolarHBondContact O-CB 3.27Å; A251-Q255 PolarHBondContact O-N 3.13Å; Q255-V257 VanDerWaalsContact C-N 3.25Å; Q255-V257 PolarHBondContact O-N 3.37Å; Q255-E258 PolarHBondContact O-N 3.33Å; Q255-E259 HydrophobicContact CG-CG 4.36Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.24Å; Q255-E259 PolarHBondContact NE2-OE1 3.34Å; Q255-E259 WeakPolarHBondContact O-CG 3.42Å; Q255-E259 PolarHBondContact O-N 3.5Å
256	C	87.5	Confident	79.7	Confident	22 Å²	22	61.9 Å²	61.9	15%	0.149	33%	0.332	C	S	.	.	H	α-helix	trans	-64.8	-26.7	175.2	-74.9	0	0	0	0	113.2	I145 T252 L253 E254 G260	I145-C256 HydrophobicContact CD1-CB 3.84Å; I145-C256 HydrophobicContact CG1-CB 4.35Å; T252-C256 PolarHBondContact O-N 3.25Å; T252-C256 PolarHBondContact O-SG 3.39Å; L253-C256 WeakPolarHBondContact O-CB 3.17Å; L253-C256 PolarHBondContact O-N 3.01Å; E254-C256 VanDerWaalsContact C-N 3.29Å; E254-C256 PolarHBondContact O-N 3.28Å; C256-G260 PolarHBondContact O-N 3.08Å
257	V	86.1	Confident	79	Confident	51 Å²	51	66 Å²	66	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-73.5	-41.7	171.7	176.4	0	0	0	0	111.2	I145 L148 L253 E254 Q255 G260	I145-V257 HydrophobicContact CD1-CB 4.45Å; I145-V257 HydrophobicContact CD1-CG2 3.55Å; L148-V257 HydrophobicContact CD1-CG2 4.24Å; L148-V257 HydrophobicContact CD2-CG2 3.77Å; L253-V257 WeakPolarHBondContact O-CG2 3.36Å; L253-V257 PolarHBondContact O-N 2.74Å; E254-V257 WeakPolarHBondContact O-CA 3.01Å; E254-V257 WeakPolarHBondContact O-CB 3.35Å; E254-V257 PolarHBondContact O-N 3.34Å; Q255-V257 VanDerWaalsContact C-N 3.25Å; Q255-V257 PolarHBondContact O-N 3.37Å; V257-G260 PolarHBondContact O-N 2.79Å
258	E	82.8	Confident	78.7	Confident	172 Å²	172	64.4 Å²	64.4	80%	0.804	35%	0.345	S	S	*	.	H	α-helix	trans	-69.6	-45.1	-179.2	-68.6	-164.2	151.6	0	0	113.4	E254 Q255 G260	E254-E258 PolarHBondContact O-N 3.42Å; Q255-E258 PolarHBondContact O-N 3.33Å; E258-G260 PolarHBondContact O-N 3.23Å
259	E	78.4	Confident	78.4	Confident	91 Å²	91	64.8 Å²	64.8	43%	0.425	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-24.9	175.1	-68.5	179.9	-173.1	0	0	112.1	Q255 M267	Q255-E259 HydrophobicContact CG-CG 4.36Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.24Å; Q255-E259 PolarHBondContact NE2-OE1 3.34Å; Q255-E259 WeakPolarHBondContact O-CG 3.42Å; Q255-E259 PolarHBondContact O-N 3.5Å; E259-M267 VanDerWaalsContact OE2-CE 3.28Å; E259-M267 WeakPolarHBondContact OE2-CE 3.46Å
260	G	67.2	Low	78.2	Confident	29 Å²	29	67.7 Å²	67.7	30%	0.299	37%	0.369	S	S	.	.			trans	67.7	-167.8	177.5	0	0	0	0	0	113.5	C256 V257 E258 R262	C256-G260 PolarHBondContact O-N 3.08Å; V257-G260 PolarHBondContact O-N 2.79Å; E258-G260 PolarHBondContact O-N 3.23Å; G260-R262 PolarHBondContact O-N 3.16Å
261	Y	64.5	Low	78.1	Confident	119 Å²	119	71 Å²	71	47%	0.467	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	32	-173.5	-46.1	-84.2	0	0	0	115.1	K140 T141 F144	K140-Y261 HydrophobicContact CD-CE1 4.35Å; K140-Y261 HydrophobicContact CG-CE1 4.29Å; T141-Y261 PolarHBondContact OG1-OH 2.96Å; F144-Y261 HydrophobicContact CB-CD1 4.23Å; F144-Y261 HydrophobicContact CB-CE1 4.18Å; F144-Y261 HydrophobicContact CD1-CD1 4.03Å; F144-Y261 AromaticContact CD2-CD1 3.4Å; F144-Y261 HydrophobicContact CD2-CD1 3.4Å; F144-Y261 VanDerWaalsContact CD2-CD1 3.4Å; F144-Y261 AromaticContact CD2-CE1 3.36Å; F144-Y261 HydrophobicContact CD2-CE1 3.36Å; F144-Y261 HydrophobicContact CE1-CD1 4.21Å; F144-Y261 AromaticContact CE2-CD1 3.63Å; F144-Y261 HydrophobicContact CE2-CD1 3.63Å; F144-Y261 AromaticContact CE2-CE1 3.84Å; F144-Y261 HydrophobicContact CE2-CE1 3.84Å; F144-Y261 AromaticContact CG-CD1 3.63Å; F144-Y261 HydrophobicContact CG-CD1 3.63Å; F144-Y261 AromaticContact CG-CE1 3.85Å; F144-Y261 HydrophobicContact CG-CE1 3.85Å; F144-Y261 HydrophobicContact CZ-CD1 4.03Å
262	R	54.8	Low	78.2	Confident	237 Å²	237	69.9 Å²	69.9	89%	0.894	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-23.4	179.2	-61.8	-146.3	-140.9	-113.6	9.5	114.3	G260	G260-R262 PolarHBondContact O-N 3.16Å
263	G	52.1	Low	78.1	Confident	49 Å²	49	71.7 Å²	71.7	51%	0.505	38%	0.38	S	S	.	.	S	Bend	trans	-76.1	148.2	174.5	0	0	0	0	0	112.2
264	E	52.9	Low	78.2	Confident	177 Å²	177	76.1 Å²	76.1	83%	0.827	40%	0.4	S	S	*	.			trans	-70.1	127.9	163.2	-65.4	-177	164.4	0	0	108.5	G266 M267	E264-G266 PolarHBondContact O-N 3.41Å; E264-M267 PolarHBondContact O-N 2.81Å
265	G	58.3	Low	78.3	Confident	50 Å²	50	75.1 Å²	75.1	52%	0.515	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-6.8	-176.6	0	0	0	0	0	115.4	M267 N269	G265-M267 PolarHBondContact O-N 2.66Å; G265-N269 PolarHBondContact O-N 2.97Å
266	G	68.4	Low	78.5	Confident	46 Å²	46	70.7 Å²	70.7	47%	0.474	38%	0.375	S	S	.	.	H	α-helix	trans	-59.9	-26.9	167.5	0	0	0	0	0	114.2	E264 S270	E264-G266 PolarHBondContact O-N 3.41Å; G266-S270 VanDerWaalsContact O-CB 3.24Å; G266-S270 WeakPolarHBondContact O-CB 3.41Å; G266-S270 PolarHBondContact O-N 2.98Å; G266-S270 PolarHBondContact O-OG 2.92Å
267	M	80.7	Confident	78.6	Confident	88 Å²	88	71.2 Å²	71.2	43%	0.433	38%	0.379	S	S	.	.	H	α-helix	trans	-65.1	-50.1	177	-166.8	175	79.2	0	0	112	E259 E264 G265 N269 S270 R271	E259-M267 VanDerWaalsContact OE2-CE 3.28Å; E259-M267 WeakPolarHBondContact OE2-CE 3.46Å; E264-M267 PolarHBondContact O-N 2.81Å; G265-M267 PolarHBondContact O-N 2.66Å; M267-N269 PolarHBondContact O-N 3.41Å; M267-S270 PolarHBondContact O-N 2.91Å; M267-S270 PolarHBondContact O-OG 2.78Å; M267-R271 PolarHBondContact O-N 3.12Å
268	L	86.8	Confident	78.8	Confident	6 Å²	6	73 Å²	73	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-57.8	-50.8	174.8	177.8	61.9	0	0	0	111.4	I145 T252 L253 S270 R271 L272	I145-L268 HydrophobicContact CB-CD2 4.37Å; I145-L268 HydrophobicContact CG2-CD2 3.91Å; T252-L268 HydrophobicContact CG2-CD1 3.75Å; L253-L268 HydrophobicContact CD2-CD1 4.31Å; L268-S270 PolarHBondContact O-N 3.41Å; L268-R271 PolarHBondContact O-N 3.31Å; L268-L272 HydrophobicContact CD1-CD1 3.72Å; L268-L272 HydrophobicContact CD1-CG 4.09Å; L268-L272 HydrophobicContact CG-CD1 3.96Å; L268-L272 WeakPolarHBondContact O-CG 3.34Å; L268-L272 PolarHBondContact O-N 3.36Å
269	N	87	Confident	79.1	Confident	67 Å²	67	65.2 Å²	65.2	36%	0.358	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-38.8	-178	-74.5	3.1	0	0	0	112.2	G265 M267 Q273	G265-N269 PolarHBondContact O-N 2.97Å; M267-N269 PolarHBondContact O-N 3.41Å; N269-Q273 WeakPolarHBondContact O-CB 3.48Å; N269-Q273 PolarHBondContact O-N 2.95Å
270	S	88.4	Confident	79.5	Confident	60 Å²	60	61.4 Å²	61.4	42%	0.42	33%	0.33	S	S	.	.	H	α-helix	trans	-67.1	-39	176.6	57.5	0	0	0	0	112.9	G266 M267 L268 Q273 Q274	G266-S270 VanDerWaalsContact O-CB 3.24Å; G266-S270 WeakPolarHBondContact O-CB 3.41Å; G266-S270 PolarHBondContact O-N 2.98Å; G266-S270 PolarHBondContact O-OG 2.92Å; M267-S270 PolarHBondContact O-N 2.91Å; M267-S270 PolarHBondContact O-OG 2.78Å; L268-S270 PolarHBondContact O-N 3.41Å; S270-Q273 PolarHBondContact O-N 3.22Å; S270-Q274 WeakPolarHBondContact O-CG 3.19Å; S270-Q274 PolarHBondContact O-N 3Å
271	R	91.6	Very high	79.7	Confident	71 Å²	71	64.4 Å²	64.4	27%	0.268	35%	0.347	S	S	.	.	H	α-helix	trans	-69.5	-42.9	175.5	-172	59.1	-173.5	154.4	6.2	112.1	E248 T252 M267 L268 Q273 Q274 L275 E278	E248-R271 IonicContact OE1-CZ 2.7Å; E248-R271 IonicContact OE1-NE 3.91Å; E248-R271 PolarHBondContact OE1-NE 3.04Å; E248-R271 IonicContact OE1-NH2 2.84Å; E248-R271 PolarHBondContact OE1-NH2 3.05Å; E248-R271 IonicContact OE2-CZ 3.14Å; E248-R271 IonicContact OE2-NH2 3.76Å; E248-R271 PolarHBondContact OE2-NH2 3.49Å; T252-R271 HydrophobicContact CG2-CB 4.07Å; T252-R271 HydrophobicContact CG2-CG 4.02Å; M267-R271 PolarHBondContact O-N 3.12Å; L268-R271 PolarHBondContact O-N 3.31Å; R271-Q273 VanDerWaalsContact C-N 3.29Å; R271-Q273 PolarHBondContact O-N 3.43Å; R271-Q274 VanDerWaalsContact CD-OE1 3.28Å; R271-Q274 WeakPolarHBondContact O-CB 3.17Å; R271-Q274 PolarHBondContact O-N 3.05Å; R271-L275 PolarHBondContact O-N 3.06Å; R271-E278 IonicContact NH1-OE1 2.79Å
272	L	92.6	Very high	79.3	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.7	-30.9	175.2	-66.2	177.7	0	0	0	112.5	T216 I217 A220 L221 V249 L268 L275 Y276	T216-L272 HydrophobicContact CG2-CD1 4.16Å; T216-L272 HydrophobicContact CG2-CD2 4.37Å; I217-L272 HydrophobicContact CG1-CD2 4.34Å; A220-L272 HydrophobicContact CB-CD1 3.36Å; L221-L272 HydrophobicContact CD2-CB 4.36Å; V249-L272 HydrophobicContact CG2-CD2 4.27Å; L268-L272 HydrophobicContact CD1-CD1 3.72Å; L268-L272 HydrophobicContact CD1-CG 4.09Å; L268-L272 HydrophobicContact CG-CD1 3.96Å; L268-L272 WeakPolarHBondContact O-CG 3.34Å; L268-L272 PolarHBondContact O-N 3.36Å; L272-L275 HydrophobicContact CD2-CD1 4.3Å; L272-Y276 VanDerWaalsContact O-CB 3.32Å; L272-Y276 WeakPolarHBondContact O-CB 3.22Å; L272-Y276 PolarHBondContact O-N 2.88Å
273	Q	91.6	Very high	79.2	Confident	52 Å²	52	58.7 Å²	58.7	24%	0.243	35%	0.348	C	S	.	.	H	α-helix	trans	-69.4	-37.2	172.5	-172.4	67.7	53.1	0	0	112.4	L221 N269 S270 R271 S277	L221-Q273 HydrophobicContact CD2-CB 4.12Å; N269-Q273 WeakPolarHBondContact O-CB 3.48Å; N269-Q273 PolarHBondContact O-N 2.95Å; S270-Q273 PolarHBondContact O-N 3.22Å; R271-Q273 VanDerWaalsContact C-N 3.29Å; R271-Q273 PolarHBondContact O-N 3.43Å; Q273-S277 WeakPolarHBondContact O-CB 3.48Å; Q273-S277 PolarHBondContact O-N 3.33Å; Q273-S277 PolarHBondContact O-OG 3.34Å
274	Q	91.9	Very high	78.7	Confident	93 Å²	93	63.9 Å²	63.9	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-52.8	172.1	-73.1	167.1	-4.8	0	0	110	S270 R271 Y276 S277 E278	S270-Q274 WeakPolarHBondContact O-CG 3.19Å; S270-Q274 PolarHBondContact O-N 3Å; R271-Q274 VanDerWaalsContact CD-OE1 3.28Å; R271-Q274 WeakPolarHBondContact O-CB 3.17Å; R271-Q274 PolarHBondContact O-N 3.05Å; Q274-Y276 PolarHBondContact O-N 3.17Å; Q274-S277 CarbonylContact O-C 3.58Å; Q274-S277 WeakPolarHBondContact O-CA 3.17Å; Q274-S277 WeakPolarHBondContact O-CB 3.33Å; Q274-S277 PolarHBondContact O-N 3.25Å; Q274-E278 WeakPolarHBondContact O-CG 3.36Å; Q274-E278 PolarHBondContact O-N 2.88Å
275	L	92.3	Very high	78.5	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-56.6	-45.5	176.9	-74.6	179.2	0	0	0	113.2	Y245 E248 V249 R271 L272 S277 E278 I279	Y245-L275 HydrophobicContact CD1-CD2 3.88Å; Y245-L275 HydrophobicContact CE1-CD2 4.27Å; E248-L275 WeakPolarHBondContact OE1-CD2 3.19Å; V249-L275 HydrophobicContact CG2-CD1 3.85Å; R271-L275 PolarHBondContact O-N 3.06Å; L272-L275 HydrophobicContact CD2-CD1 4.3Å; L275-S277 VanDerWaalsContact C-N 3.27Å; L275-S277 PolarHBondContact O-N 3.2Å; L275-E278 PolarHBondContact O-N 3.16Å; L275-I279 WeakPolarHBondContact O-CB 3.36Å; L275-I279 WeakPolarHBondContact O-CD1 3.26Å; L275-I279 WeakPolarHBondContact O-CG1 2.95Å; L275-I279 PolarHBondContact O-N 3.36Å
276	Y	92	Very high	78	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.016	38%	0.375	C	S	.	.	H	α-helix	trans	-58.4	-40	173.8	171.4	-101.5	0	0	0	112.4	I217 L221 H225 C226 H227 L231 L272 Q274 V280 L288	I217-Y276 HydrophobicContact CG2-CD2 3.9Å; I217-Y276 HydrophobicContact CG2-CG 4.23Å; L221-Y276 HydrophobicContact CD1-CD1 4.42Å; L221-Y276 HydrophobicContact CD1-CG 4.05Å; H225-Y276 WeakPolarHBondContact O-CE1 3.09Å; C226-Y276 HydrophobicContact CB-CE2 4.28Å; H227-Y276 PolarHBondContact N-OH 3.41Å; L231-Y276 HydrophobicContact CB-CD2 4.47Å; L231-Y276 HydrophobicContact CB-CE2 4.15Å; L231-Y276 HydrophobicContact CD1-CD2 4.17Å; L231-Y276 HydrophobicContact CD2-CD2 4.26Å; L272-Y276 VanDerWaalsContact O-CB 3.32Å; L272-Y276 WeakPolarHBondContact O-CB 3.22Å; L272-Y276 PolarHBondContact O-N 2.88Å; Q274-Y276 PolarHBondContact O-N 3.17Å; Y276-V280 HydrophobicContact CD2-CG2 4.17Å; Y276-V280 HydrophobicContact CE2-CG2 3.89Å; Y276-V280 WeakPolarHBondContact O-CB 3.16Å; Y276-V280 VanDerWaalsContact O-CG2 3.31Å; Y276-V280 WeakPolarHBondContact O-CG2 3.41Å; Y276-V280 PolarHBondContact O-N 3.42Å; Y276-V280 VanDerWaalsContact O-N 3.16Å; Y276-L288 HydrophobicContact CE1-CD2 4.08Å
277	S	89.8	Confident	77.1	Confident	33 Å²	33	68.7 Å²	68.7	23%	0.231	39%	0.389	C	S	.	.	H	α-helix	trans	-68.2	-49.2	178.3	-52.6	0	0	0	0	110.6	Q273 Q274 L275 I279 V280 S281	Q273-S277 WeakPolarHBondContact O-CB 3.48Å; Q273-S277 PolarHBondContact O-N 3.33Å; Q273-S277 PolarHBondContact O-OG 3.34Å; Q274-S277 CarbonylContact O-C 3.58Å; Q274-S277 WeakPolarHBondContact O-CA 3.17Å; Q274-S277 WeakPolarHBondContact O-CB 3.33Å; Q274-S277 PolarHBondContact O-N 3.25Å; L275-S277 VanDerWaalsContact C-N 3.27Å; L275-S277 PolarHBondContact O-N 3.2Å; S277-I279 VanDerWaalsContact C-N 3.33Å; S277-I279 PolarHBondContact O-N 3.46Å; S277-V280 PolarHBondContact O-N 2.95Å; S277-S281 WeakPolarHBondContact O-CB 3.33Å; S277-S281 PolarHBondContact O-N 2.94Å; S277-S281 PolarHBondContact O-OG 2.8Å
278	E	90.3	Very high	76	Confident	89 Å²	89	69.2 Å²	69.2	42%	0.416	39%	0.393	S	S	.	.	H	α-helix	trans	-54.1	-46.3	177	-70.3	166.9	-155.3	0	0	111.8	Y245 R271 Q274 L275 V280	Y245-E278 HydrophobicContact CE1-CB 4.45Å; R271-E278 IonicContact NH1-OE1 2.79Å; Q274-E278 WeakPolarHBondContact O-CG 3.36Å; Q274-E278 PolarHBondContact O-N 2.88Å; L275-E278 PolarHBondContact O-N 3.16Å; E278-V280 PolarHBondContact O-N 3.08Å
279	I	89.4	Confident	74.4	Confident	8 Å²	8	73.8 Å²	73.8	4%	0.041	43%	0.425	C	S	.	.	H	α-helix	trans	-66.7	-36.6	179.6	-67.6	165.6	0	0	0	112.6	V213 I217 L231 A234 L235 M238 Y245 L275 S277	V213-I279 HydrophobicContact CG1-CD1 4.02Å; I217-I279 HydrophobicContact CD1-CD1 4.04Å; L231-I279 HydrophobicContact CD1-CB 4.43Å; L231-I279 HydrophobicContact CD1-CD1 4.48Å; L231-I279 HydrophobicContact CD1-CG2 3.76Å; A234-I279 HydrophobicContact CB-CG2 3.87Å; A234-I279 WeakPolarHBondContact CB-O 3.34Å; L235-I279 HydrophobicContact CD2-CD1 4.45Å; L235-I279 HydrophobicContact CD2-CG2 4.37Å; L235-I279 HydrophobicContact CG-CG2 4.34Å; M238-I279 HydrophobicContact CE-CB 4.36Å; M238-I279 HydrophobicContact CE-CG1 4.06Å; M238-I279 HydrophobicContact CE-CG2 3.66Å; M238-I279 HydrophobicContact SD-CG2 4.42Å; Y245-I279 HydrophobicContact CD1-CD1 4.14Å; Y245-I279 HydrophobicContact CD1-CG1 3.99Å; Y245-I279 HydrophobicContact CD2-CG1 4.23Å; Y245-I279 HydrophobicContact CE1-CG1 3.94Å; Y245-I279 HydrophobicContact CE2-CG1 4.2Å; Y245-I279 HydrophobicContact CG-CD1 4.13Å; Y245-I279 HydrophobicContact CG-CG1 4.12Å; L275-I279 WeakPolarHBondContact O-CB 3.36Å; L275-I279 WeakPolarHBondContact O-CD1 3.26Å; L275-I279 WeakPolarHBondContact O-CG1 2.95Å; L275-I279 PolarHBondContact O-N 3.36Å; S277-I279 VanDerWaalsContact C-N 3.33Å; S277-I279 PolarHBondContact O-N 3.46Å
280	V	86.3	Confident	73.2	Confident	10 Å²	10	72.2 Å²	72.2	6%	0.061	43%	0.425	C	S	.	.	H	α-helix	trans	-93.6	-18.5	-173.5	177.7	0	0	0	0	112.8	L231 Y276 S277 E278 D282 S283 L288	L231-V280 HydrophobicContact CD1-CG2 4.47Å; Y276-V280 HydrophobicContact CD2-CG2 4.17Å; Y276-V280 HydrophobicContact CE2-CG2 3.89Å; Y276-V280 WeakPolarHBondContact O-CB 3.16Å; Y276-V280 VanDerWaalsContact O-CG2 3.31Å; Y276-V280 WeakPolarHBondContact O-CG2 3.41Å; Y276-V280 PolarHBondContact O-N 3.42Å; Y276-V280 VanDerWaalsContact O-N 3.16Å; S277-V280 PolarHBondContact O-N 2.95Å; E278-V280 PolarHBondContact O-N 3.08Å; V280-D282 VanDerWaalsContact C-N 3.3Å; V280-D282 PolarHBondContact O-N 3.16Å; V280-D282 VanDerWaalsContact O-N 3.17Å; V280-S283 WeakPolarHBondContact O-CB 3.49Å; V280-S283 PolarHBondContact O-N 3.36Å; V280-L288 HydrophobicContact CG1-CD2 4.48Å
281	S	72	Confident	72.3	Confident	93 Å²	93	69.9 Å²	69.9	65%	0.65	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.5	-169.8	-87.7	0	0	0	0	116.5	S277 S283	S277-S281 WeakPolarHBondContact O-CB 3.33Å; S277-S281 PolarHBondContact O-N 2.94Å; S277-S281 PolarHBondContact O-OG 2.8Å; S281-S283 PolarHBondContact O-N 2.9Å
282	D	56.2	Low	71.9	Confident	166 Å²	166	69 Å²	69	89%	0.888	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-12	173.6	-87.8	-24	0	0	0	113.4	V280 N284	V280-D282 VanDerWaalsContact C-N 3.3Å; V280-D282 PolarHBondContact O-N 3.16Å; V280-D282 VanDerWaalsContact O-N 3.17Å; D282-N284 PolarHBondContact O-N 3.11Å
283	S	52.7	Low	71.6	Confident	70 Å²	70	70.2 Å²	70.2	49%	0.49	42%	0.42	S	S	.	.	S	Bend	trans	-96.4	83.2	-180	-68.3	0	0	0	0	112.6	V280 S281	V280-S283 WeakPolarHBondContact O-CB 3.49Å; V280-S283 PolarHBondContact O-N 3.36Å; S281-S283 PolarHBondContact O-N 2.9Å
284	N	42.5	Very low	71.3	Confident	158 Å²	158	69.3 Å²	69.3	85%	0.845	42%	0.419	S	S	*	.			trans	26.8	111.2	165.8	-77.5	-40.5	0	0	0	118	D282 E286	D282-N284 PolarHBondContact O-N 3.11Å; N284-E286 PolarHBondContact O-N 3.47Å
285	A	47.8	Very low	70.9	Confident	107 Å²	107	65.9 Å²	65.9	88%	0.884	40%	0.403	S	S	*	.			trans	-49.9	110.9	-172.5	0	0	0	0	0	116.8
286	E	48.9	Very low	70.6	Confident	146 Å²	146	66 Å²	66	68%	0.682	40%	0.404	S	S	*	.			trans	-129.2	155.8	148.1	-82.4	-167.6	148.6	0	0	109.2	N284 L288	N284-E286 PolarHBondContact O-N 3.47Å; E286-L288 PolarHBondContact O-N 2.66Å
287	P	48.8	Very low	70.2	Confident	120 Å²	120	68.1 Å²	68.1	78%	0.779	42%	0.419	S	S	*	.			trans	-57	132	-178.7	-23.6	34.1	0	0	0	112.4	C289	P287-C289 PolarHBondContact O-N 3.31Å
288	L	57.9	Low	70.1	Confident	99 Å²	99	67.7 Å²	67.7	52%	0.518	41%	0.413	S	S	.	.			trans	-65.2	92	177	-63.9	172.8	0	0	0	110.1	Y276 V280 E286	Y276-L288 HydrophobicContact CE1-CD2 4.08Å; V280-L288 HydrophobicContact CG1-CD2 4.48Å; E286-L288 PolarHBondContact O-N 2.66Å
289	C	51.9	Low	70.1	Confident	102 Å²	102	64.3 Å²	64.3	69%	0.689	40%	0.399	S	S	*	.			trans	-118.1	145	177.2	-150	0	0	0	0	109.9	P287	P287-C289 PolarHBondContact O-N 3.31Å
290	G	61.7	Low	70.1	Confident	35 Å²	35	64.9 Å²	64.9	36%	0.361	40%	0.402	S	S	.	.			trans	-53.1	146.1	-171.9	0	0	0	0	0	114.6	P223	P223-G290 CarbonylContact O-C 3.59Å; P223-G290 WeakPolarHBondContact O-CA 3.43Å
291	G	70.2	Confident	70.4	Confident	11 Å²	11	64.7 Å²	64.7	11%	0.113	40%	0.401	C	S	.	.			trans	-142.3	177.5	-176.8	0	0	0	0	0	113.4	P223 C226	P223-G291 PolarHBondContact O-N 2.91Å; C226-G291 PolarHBondContact O-N 2.81Å
292	P	82.3	Confident	71.2	Confident	53 Å²	53	63.2 Å²	63.2	34%	0.344	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-60.3	150.2	174.8	26.8	-34.4	0	0	0	110.8	G228 P229	G228-P292 WeakPolarHBondContact CA-O 3.45Å; G228-P292 PolarHBondContact N-O 3.09Å; P229-P292 WeakPolarHBondContact CD-O 3.1Å; P229-P292 HydrophobicContact CG-CG 4.13Å
293	M	87.6	Confident	72.8	Confident	25 Å²	25	57 Å²	57	12%	0.123	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-82.1	155.4	170.7	-58.7	-70.9	83	0	0	110.4	P63 A104 Q218 P223 C226	P63-M293 HydrophobicContact CB-CB 4.27Å; P63-M293 HydrophobicContact CG-CB 3.99Å; P63-M293 WeakPolarHBondContact CG-O 3.41Å; A104-M293 HydrophobicContact CB-CB 4.31Å; Q218-M293 HydrophobicContact CB-SD 3.83Å; Q218-M293 HydrophobicContact CG-CE 4.47Å; Q218-M293 HydrophobicContact CG-SD 3.95Å; P223-M293 HydrophobicContact CB-CE 4.31Å; C226-M293 HydrophobicContact CB-CE 4.18Å; C226-M293 VanDerWaalsContact O-CE 3.24Å; C226-M293 WeakPolarHBondContact O-CE 3.48Å
294	C	85.8	Confident	74.6	Confident	33 Å²	33	54.3 Å²	54.3	22%	0.223	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-102.7	139.4	166.7	-78.1	0	0	0	0	110.3	Q218 G228 P229	Q218-C294 PolarHBondContact NE2-O 2.64Å; Q218-C294 PolarHBondContact OE1-O 3.39Å; G228-C294 VanDerWaalsContact C-SG 3.54Å; P229-C294 VanDerWaalsContact CD-SG 3.52Å; P229-C294 VanDerWaalsContact N-SG 3.39Å
295	D	82.4	Confident	76.9	Confident	21 Å²	21	49 Å²	49	11%	0.112	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-66.7	147.9	172.4	-162.6	15.9	0	0	0	110.6	N61	N61-D295 VanDerWaalsContact CA-OD2 3.29Å; N61-D295 WeakPolarHBondContact CA-OD2 3.4Å; N61-D295 PolarHBondContact N-OD2 2.91Å
296	C	85.4	Confident	78.9	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.014	27%	0.27	C	S	.	.			trans	-126.2	86.9	175.2	-55.2	0	0	0	0	106.7	Y150 Q214 H215	Y150-C296 HydrophobicContact CE2-CB 4.41Å; Y150-C296 WeakPolarHBondContact CE2-O 3.21Å; Y150-C296 PolarHBondContact OH-O 3.45Å; Q214-C296 PolarHBondContact NE2-SG 3.43Å; H215-C296 HydrophobicContact CB-CB 3.94Å
297	P	85.1	Confident	80.9	Confident	50 Å²	50	42.9 Å²	42.9	33%	0.325	25%	0.253	S	S	.	.			trans	-58.2	146.3	-172.7	25	-34.5	0	0	0	110.7	Q60 Y150 P299	Q60-P297 HydrophobicContact CG-CB 4.46Å; Y150-P297 PolarHBondContact OH-O 3.24Å; P297-P299 WeakPolarHBondContact O-CD 3.32Å
298	I	87.7	Confident	82.7	Confident	24 Å²	24	37.7 Å²	37.7	12%	0.123	22%	0.218	C	C	.	.			trans	-82.9	108.2	176.3	-52.6	174.5	0	0	0	107.4	I101 Q102 Y150 M153 I154	I101-I298 HydrophobicContact CB-CD1 4.2Å; I101-I298 HydrophobicContact CG2-CD1 3.83Å; Q102-I298 HydrophobicContact CB-CD1 3.89Å; Q102-I298 HydrophobicContact CB-CG1 4.3Å; Y150-I298 HydrophobicContact CD2-CG1 4.4Å; Y150-I298 HydrophobicContact CE2-CG1 4.06Å; M153-I298 HydrophobicContact SD-CG2 3.98Å; I154-I298 HydrophobicContact CD1-CG2 4.07Å
299	P	89.2	Confident	83.8	Confident	18 Å²	18	35.6 Å²	35.6	12%	0.117	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-61.4	160.7	173.6	29.3	-39.2	0	0	0	110.9	I154 Q158 P297 R587	I154-P299 HydrophobicContact CD1-CG 3.87Å; Q158-P299 HydrophobicContact CG-CG 4.35Å; P297-P299 WeakPolarHBondContact O-CD 3.32Å; P299-R587 PolarHBondContact O-NH2 3.17Å
300	N	90.3	Very high	84.5	Confident	20 Å²	20	37 Å²	37	11%	0.107	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-74.9	144.8	170.3	-75.3	-28.7	0	0	0	110.7	Q158 S195 M303 D580 A583	Q158-N300 PolarHBondContact NE2-O 3.32Å; S195-N300 WeakPolarHBondContact OG-CB 3.43Å; S195-N300 PolarHBondContact OG-ND2 2.85Å; N300-M303 HydrophobicContact CB-CE 4.25Å; N300-D580 PolarHBondContact ND2-OD1 3.17Å; N300-D580 PolarHBondContact OD1-OD1 3.38Å; N300-A583 HydrophobicContact CB-CB 4.41Å; N300-A583 WeakPolarHBondContact OD1-CB 3.5Å
301	P	91.7	Very high	84.5	Confident	6 Å²	6	42 Å²	42	4%	0.039	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-60.6	161.8	179.2	27.4	-37.2	0	0	0	112.2	E157 V171 M303 A583 V586	E157-P301 HydrophobicContact CB-CB 3.79Å; E157-P301 HydrophobicContact CG-CB 3.93Å; V171-P301 HydrophobicContact CG2-CB 4.07Å; V171-P301 HydrophobicContact CG2-CG 3.8Å; P301-M303 HydrophobicContact CG-CE 3.58Å; P301-M303 HydrophobicContact CG-CG 4.48Å; P301-M303 WeakPolarHBondContact O-CG 3.36Å; P301-M303 PolarHBondContact O-N 2.99Å; P301-A583 HydrophobicContact CG-CB 4.41Å; P301-V586 HydrophobicContact CG-CG2 4.44Å
302	E	88.6	Confident	84.5	Confident	62 Å²	62	42.9 Å²	42.9	29%	0.29	23%	0.227	S	C	.	.			trans	-60.4	104.8	173.9	-165	-169.2	178.4	0	0	110.5	E157 R170 V171	E157-E302 PolarHBondContact O-N 3.45Å; R170-E302 IonicContact CZ-OE1 2.75Å; R170-E302 IonicContact CZ-OE2 3.07Å; R170-E302 IonicContact NH1-OE1 2.66Å; R170-E302 PolarHBondContact NH1-OE1 3.12Å; R170-E302 IonicContact NH1-OE2 3.71Å; R170-E302 PolarHBondContact NH1-OE2 2.92Å; R170-E302 IonicContact NH2-OE1 2.95Å; R170-E302 PolarHBondContact NH2-OE1 3.5Å; R170-E302 IonicContact NH2-OE2 3.26Å; V171-E302 PolarHBondContact N-O 3.41Å
303	M	90.3	Very high	84.4	Confident	35 Å²	35	43.1 Å²	43.1	17%	0.172	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.3	178.4	-69.2	179	-164	0	0	110.6	V171 F192 N300 P301 S579 I582 A583	V171-M303 HydrophobicContact CB-CG 3.84Å; V171-M303 HydrophobicContact CG1-CG 4Å; V171-M303 HydrophobicContact CG2-CG 4.4Å; V171-M303 CarbonylContact O-C 3.5Å; V171-M303 WeakPolarHBondContact O-CA 3.3Å; F192-M303 HydrophobicContact CD1-CB 4.19Å; F192-M303 HydrophobicContact CD1-SD 3.92Å; F192-M303 HydrophobicContact CE1-CB 4.27Å; F192-M303 HydrophobicContact CE1-CG 4.48Å; F192-M303 HydrophobicContact CE1-SD 3.51Å; F192-M303 VanDerWaalsContact CE1-SD 3.51Å; N300-M303 HydrophobicContact CB-CE 4.25Å; P301-M303 HydrophobicContact CG-CE 3.58Å; P301-M303 HydrophobicContact CG-CG 4.48Å; P301-M303 WeakPolarHBondContact O-CG 3.36Å; P301-M303 PolarHBondContact O-N 2.99Å; M303-S579 WeakPolarHBondContact CE-O 3.43Å; M303-I582 HydrophobicContact CE-CB 4.16Å; M303-I582 HydrophobicContact CE-CG2 3.85Å; M303-I582 HydrophobicContact SD-CB 4.41Å; M303-I582 HydrophobicContact SD-CG2 4.06Å; M303-A583 HydrophobicContact CE-CB 3.84Å
304	S	90.3	Very high	84.3	Confident	14 Å²	14	42.8 Å²	42.8	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.6	173.2	-57.1	0	0	0	0	109.2	R170 V171 V173 Y306	R170-S304 PolarHBondContact NE-OG 2.9Å; R170-S304 PolarHBondContact NH2-OG 2.82Å; V171-S304 PolarHBondContact O-N 2.83Å; V173-S304 PolarHBondContact N-O 3.49Å; S304-Y306 VanDerWaalsContact CB-CE2 3.46Å; S304-Y306 WeakPolarHBondContact O-CD2 3.42Å
305	F	90.9	Very high	84.4	Confident	47 Å²	47	42.4 Å²	42.4	21%	0.206	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.3	-179.1	-179	-99.5	0	0	0	111.4	V173 A175 V188 V189 F192	V173-F305 HydrophobicContact CB-CD2 4.1Å; V173-F305 HydrophobicContact CG1-CD2 3.81Å; V173-F305 HydrophobicContact CG1-CE2 4.25Å; A175-F305 HydrophobicContact CB-CE2 3.62Å; A175-F305 HydrophobicContact CB-CZ 3.67Å; V188-F305 HydrophobicContact CG1-CD2 4.05Å; V188-F305 HydrophobicContact CG1-CE2 3.5Å; V188-F305 HydrophobicContact CG1-CZ 3.85Å; V189-F305 HydrophobicContact CG2-CD1 3.83Å; V189-F305 HydrophobicContact CG2-CE1 3.77Å; F192-F305 HydrophobicContact CD2-CB 3.86Å; F192-F305 AromaticContact CD2-CD2 3.92Å; F192-F305 HydrophobicContact CD2-CD2 3.92Å; F192-F305 AromaticContact CD2-CG 3.99Å; F192-F305 HydrophobicContact CD2-CG 3.99Å; F192-F305 HydrophobicContact CE2-CB 4Å; F192-F305 AromaticContact CE2-CD2 3.35Å; F192-F305 HydrophobicContact CE2-CD2 3.35Å; F192-F305 HydrophobicContact CE2-CE2 4.05Å; F192-F305 AromaticContact CE2-CG 3.9Å; F192-F305 HydrophobicContact CE2-CG 3.9Å; F192-F305 HydrophobicContact CZ-CD2 4.23Å
306	Y	90.6	Very high	84.6	Confident	60 Å²	60	46.6 Å²	46.6	24%	0.235	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.9	177.3	-57.1	-87.5	0	0	0	111.3	F172 V173 L174 A175 S304 W308 L312	F172-Y306 AromaticContact CD1-CE2 3.96Å; F172-Y306 HydrophobicContact CD1-CE2 3.96Å; V173-Y306 PolarHBondContact O-N 2.66Å; L174-Y306 HydrophobicContact CD2-CD2 3.99Å; L174-Y306 HydrophobicContact CD2-CG 4.33Å; A175-Y306 PolarHBondContact N-O 3.41Å; S304-Y306 VanDerWaalsContact CB-CE2 3.46Å; S304-Y306 WeakPolarHBondContact O-CD2 3.42Å; Y306-W308 PolarHBondContact O-N 2.82Å; Y306-L312 VanDerWaalsContact CB-CD1 3.46Å; Y306-L312 HydrophobicContact CD1-CD1 3.88Å; Y306-L312 HydrophobicContact CG-CD1 3.78Å
307	L	89.6	Confident	84.7	Confident	63 Å²	63	48.2 Å²	48.2	33%	0.33	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116	164.4	-161.8	67.2	0	0	0	108.2	P177 I185 T309	P177-L307 HydrophobicContact CB-CD1 3.99Å; P177-L307 HydrophobicContact CB-CD2 3.98Å; P177-L307 HydrophobicContact CB-CG 3.84Å; P177-L307 HydrophobicContact CG-CG 4.37Å; I185-L307 HydrophobicContact CD1-CD1 4.18Å; I185-L307 HydrophobicContact CD1-CD2 4.25Å; L307-T309 PolarHBondContact O-N 3.31Å
308	W	87.3	Confident	84.9	Confident	12 Å²	12	46 Å²	46	5%	0.045	22%	0.224	C	C	.	.			trans	-80.5	90.6	-169.9	-161.4	-3.7	0	0	0	111.5	L174 A175 P177 Y306 I314 V473 V479 R482 L483 A486	L174-W308 HydrophobicContact CB-CB 4.3Å; L174-W308 HydrophobicContact CB-CD2 3.98Å; L174-W308 HydrophobicContact CB-CE3 3.56Å; L174-W308 HydrophobicContact CB-CG 4.34Å; L174-W308 HydrophobicContact CB-CZ3 4.09Å; L174-W308 HydrophobicContact CD1-CD2 3.94Å; L174-W308 HydrophobicContact CD1-CE3 3.83Å; L174-W308 HydrophobicContact CD1-CH2 3.79Å; L174-W308 HydrophobicContact CD1-CZ2 3.95Å; L174-W308 HydrophobicContact CD1-CZ3 3.78Å; L174-W308 HydrophobicContact CG-CE3 4.34Å; A175-W308 PolarHBondContact O-N 3.18Å; P177-W308 WeakPolarHBondContact CD-O 3.21Å; Y306-W308 PolarHBondContact O-N 2.82Å; W308-I314 HydrophobicContact CH2-CD1 3.88Å; W308-I314 HydrophobicContact CZ2-CD1 3.6Å; W308-I314 HydrophobicContact CZ2-CG1 4.15Å; W308-V473 HydrophobicContact CE3-CG1 4.44Å; W308-V473 HydrophobicContact CH2-CG1 4.33Å; W308-V473 HydrophobicContact CZ3-CB 4.25Å; W308-V473 HydrophobicContact CZ3-CG1 3.61Å; W308-V479 HydrophobicContact CE3-CG2 3.62Å; W308-V479 HydrophobicContact CZ3-CG2 4Å; W308-R482 PolarHBondContact O-NH1 2.93Å; W308-L483 HydrophobicContact CH2-CB 3.8Å; W308-L483 HydrophobicContact CH2-CD1 3.83Å; W308-L483 HydrophobicContact CH2-CG 4.45Å; W308-L483 HydrophobicContact CZ3-CB 4.09Å; W308-L483 HydrophobicContact CZ3-CD1 4.47Å; W308-A486 HydrophobicContact CZ2-CB 3.95Å
309	T	80.8	Confident	84.9	Confident	55 Å²	55	45.4 Å²	45.4	34%	0.337	22%	0.222	S	C	.	.			trans	-89	175.9	170.6	65.6	0	0	0	0	111.6	L307 D311 L312	L307-T309 PolarHBondContact O-N 3.31Å; T309-D311 PolarHBondContact O-N 2.72Å; T309-D311 PolarHBondContact OG1-OD2 2.8Å; T309-L312 PolarHBondContact O-N 2.82Å
310	E	67.7	Low	84.8	Confident	132 Å²	132	50.4 Å²	50.4	62%	0.617	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.4	178.1	-62	-169.5	173.3	0	0	113.2	L312 R737	E310-L312 VanDerWaalsContact C-N 3.29Å; E310-L312 PolarHBondContact O-N 2.71Å; E310-R737 WeakPolarHBondContact OE1-CD 3.24Å
311	D	60.4	Low	84.6	Confident	139 Å²	139	49.9 Å²	49.9	74%	0.743	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.7	179.5	-47.2	-70.2	0	0	0	113.3	T309 D313	T309-D311 PolarHBondContact O-N 2.72Å; T309-D311 PolarHBondContact OG1-OD2 2.8Å; D311-D313 PolarHBondContact O-N 3.21Å
312	L	71.5	Confident	84.2	Confident	30 Å²	30	49.8 Å²	49.8	16%	0.157	24%	0.238	C	C	.	.			trans	-85.1	96	-174.8	-165.6	155.1	0	0	0	111.4	L174 Y306 T309 E310 I314	L174-L312 HydrophobicContact CD2-CD1 4.47Å; L174-L312 HydrophobicContact CD2-CD2 4.1Å; Y306-L312 VanDerWaalsContact CB-CD1 3.46Å; Y306-L312 HydrophobicContact CD1-CD1 3.88Å; Y306-L312 HydrophobicContact CG-CD1 3.78Å; T309-L312 PolarHBondContact O-N 2.82Å; E310-L312 VanDerWaalsContact C-N 3.29Å; E310-L312 PolarHBondContact O-N 2.71Å; L312-I314 HydrophobicContact CD2-CG1 4.46Å
313	D	79.4	Confident	83.9	Confident	57 Å²	57	54.3 Å²	54.3	31%	0.305	25%	0.252	S	S	.	.			trans	-85	111.3	170.9	178.8	9.2	0	0	0	110.7	D311 W315 R316 E317 R493	D311-D313 PolarHBondContact O-N 3.21Å; D313-W315 PolarHBondContact O-N 3.35Å; D313-W315 VanDerWaalsContact OD1-CB 3.26Å; D313-W315 WeakPolarHBondContact OD1-CB 3.45Å; D313-W315 PolarHBondContact OD1-N 2.8Å; D313-R316 HydrophobicContact CB-CB 3.96Å; D313-R316 WeakPolarHBondContact O-CB 3.45Å; D313-R316 PolarHBondContact O-N 2.71Å; D313-E317 PolarHBondContact O-N 3.42Å; D313-R493 IonicContact OD2-NH1 2.71Å; D313-R493 PolarHBondContact OD2-NH1 3.24Å
314	I	85	Confident	83.3	Confident	18 Å²	18	55.9 Å²	55.9	9%	0.092	27%	0.267	C	S	.	.	H	α-helix	trans	-52.6	-38.7	174.9	-64.9	-179.6	0	0	0	111.2	L174 W308 L312 R316 E317 L318 I471 L483 A486	L174-I314 HydrophobicContact CD1-CD1 3.85Å; L174-I314 HydrophobicContact CD1-CG1 4.11Å; W308-I314 HydrophobicContact CH2-CD1 3.88Å; W308-I314 HydrophobicContact CZ2-CD1 3.6Å; W308-I314 HydrophobicContact CZ2-CG1 4.15Å; L312-I314 HydrophobicContact CD2-CG1 4.46Å; I314-R316 VanDerWaalsContact C-N 3.27Å; I314-R316 PolarHBondContact O-N 2.87Å; I314-E317 PolarHBondContact O-N 3.25Å; I314-L318 HydrophobicContact CG2-CD1 3.73Å; I314-L318 HydrophobicContact CG2-CG 4.15Å; I314-L318 WeakPolarHBondContact O-CB 3.47Å; I314-L318 VanDerWaalsContact O-CG 3.24Å; I314-L318 WeakPolarHBondContact O-CG 3.5Å; I314-L318 PolarHBondContact O-N 3.02Å; I314-I471 HydrophobicContact CG2-CD1 3.89Å; I314-L483 HydrophobicContact CD1-CD1 4.29Å; I314-A486 HydrophobicContact CD1-CB 3.97Å
315	W	87.6	Confident	82.4	Confident	25 Å²	25	55.4 Å²	55.4	10%	0.095	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-37.7	178.5	-174.9	98.9	0	0	0	111.2	D313 S319 Y490 R493 E494 F499 L500	D313-W315 PolarHBondContact O-N 3.35Å; D313-W315 VanDerWaalsContact OD1-CB 3.26Å; D313-W315 WeakPolarHBondContact OD1-CB 3.45Å; D313-W315 PolarHBondContact OD1-N 2.8Å; W315-S319 VanDerWaalsContact O-CB 3.28Å; W315-S319 WeakPolarHBondContact O-CB 3.26Å; W315-S319 PolarHBondContact O-N 3.46Å; W315-S319 PolarHBondContact O-OG 2.86Å; W315-Y490 HydrophobicContact CB-CD2 4.22Å; W315-Y490 AromaticContact CD1-CD2 3.75Å; W315-Y490 AromaticContact CD1-CE2 3.96Å; W315-Y490 HydrophobicContact CG-CD2 4.39Å; W315-R493 VanDerWaalsContact CE3-NH1 3.29Å; W315-R493 VanDerWaalsContact CE3-NH2 3.31Å; W315-E494 PolarHBondContact NE1-OE1 2.73Å; W315-F499 HydrophobicContact CH2-CD1 4.39Å; W315-F499 AromaticContact CZ2-CD1 3.78Å; W315-F499 HydrophobicContact CZ2-CD1 3.78Å; W315-F499 HydrophobicContact CZ2-CE1 4.38Å; W315-L500 HydrophobicContact CD2-CD1 4.2Å; W315-L500 HydrophobicContact CG-CD1 3.97Å
316	R	86.7	Confident	80.8	Confident	109 Å²	109	55.6 Å²	55.6	41%	0.411	27%	0.27	S	S	.	.	H	α-helix	trans	-66.1	-51.9	-179.8	-170.7	-172.1	-59.2	-139.6	2.9	110.9	D313 I314 L318 S319 K320	D313-R316 HydrophobicContact CB-CB 3.96Å; D313-R316 WeakPolarHBondContact O-CB 3.45Å; D313-R316 PolarHBondContact O-N 2.71Å; I314-R316 VanDerWaalsContact C-N 3.27Å; I314-R316 PolarHBondContact O-N 2.87Å; R316-L318 PolarHBondContact O-N 3.49Å; R316-S319 PolarHBondContact O-N 2.86Å; R316-S319 VanDerWaalsContact O-N 3.12Å; R316-S319 PolarHBondContact O-OG 3.34Å; R316-K320 WeakPolarHBondContact O-CB 3.48Å; R316-K320 PolarHBondContact O-N 2.86Å
317	E	88.4	Confident	79.1	Confident	37 Å²	37	53.4 Å²	53.4	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-38	-179.3	-68.2	-49.3	120.5	0	0	112.3	F172 D313 I314 S319 K320 W321	F172-E317 HydrophobicContact CE1-CB 4.41Å; D313-E317 PolarHBondContact O-N 3.42Å; I314-E317 PolarHBondContact O-N 3.25Å; E317-S319 PolarHBondContact O-N 3.29Å; E317-K320 PolarHBondContact O-N 2.8Å; E317-K320 WeakPolarHBondContact OE2-CD 3.18Å; E317-K320 IonicContact OE2-NZ 2.73Å; E317-K320 PolarHBondContact OE2-NZ 3.4Å; E317-K320 VanDerWaalsContact OE2-NZ 3.15Å; E317-W321 WeakPolarHBondContact O-CB 3.4Å; E317-W321 PolarHBondContact O-N 3.08Å
318	L	89.3	Confident	77.3	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-39.7	171.8	-67.5	177.4	0	0	0	112.4	F172 I314 R316 K320 W321 F322 A469 Y490 L500 L506	F172-L318 HydrophobicContact CD2-CD2 4.37Å; F172-L318 HydrophobicContact CE2-CD2 3.75Å; F172-L318 HydrophobicContact CZ-CD2 3.83Å; I314-L318 HydrophobicContact CG2-CD1 3.73Å; I314-L318 HydrophobicContact CG2-CG 4.15Å; I314-L318 WeakPolarHBondContact O-CB 3.47Å; I314-L318 VanDerWaalsContact O-CG 3.24Å; I314-L318 WeakPolarHBondContact O-CG 3.5Å; I314-L318 PolarHBondContact O-N 3.02Å; R316-L318 PolarHBondContact O-N 3.49Å; L318-K320 VanDerWaalsContact C-N 3.34Å; L318-W321 HydrophobicContact CD2-CE3 4.18Å; L318-W321 PolarHBondContact O-N 3.13Å; L318-F322 WeakPolarHBondContact O-CB 3.23Å; L318-F322 PolarHBondContact O-N 3.1Å; L318-A469 HydrophobicContact CD2-CB 3.41Å; L318-A469 VanDerWaalsContact CD2-CB 3.41Å; L318-Y490 HydrophobicContact CD1-CE2 4.2Å; L318-L500 HydrophobicContact CB-CD1 3.75Å; L318-L506 HydrophobicContact CD1-CD2 3.62Å
319	S	86.4	Confident	75.4	Confident	12 Å²	12	58 Å²	58	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-35.4	176.8	78.6	0	0	0	0	112.9	W315 R316 E317 R323	W315-S319 VanDerWaalsContact O-CB 3.28Å; W315-S319 WeakPolarHBondContact O-CB 3.26Å; W315-S319 PolarHBondContact O-N 3.46Å; W315-S319 PolarHBondContact O-OG 2.86Å; R316-S319 PolarHBondContact O-N 2.86Å; R316-S319 VanDerWaalsContact O-N 3.12Å; R316-S319 PolarHBondContact O-OG 3.34Å; E317-S319 PolarHBondContact O-N 3.29Å; S319-R323 WeakPolarHBondContact O-CB 3.36Å; S319-R323 WeakPolarHBondContact O-CG 3.32Å; S319-R323 PolarHBondContact O-N 3.35Å
320	K	87.3	Confident	73.8	Confident	123 Å²	123	61.7 Å²	61.7	54%	0.535	30%	0.299	S	S	.	.	H	α-helix	trans	-69.7	-46.5	175.1	176.8	-175.3	167.2	-162.8	0	111.1	R316 E317 L318 F322 R323 S324	R316-K320 WeakPolarHBondContact O-CB 3.48Å; R316-K320 PolarHBondContact O-N 2.86Å; E317-K320 PolarHBondContact O-N 2.8Å; E317-K320 WeakPolarHBondContact OE2-CD 3.18Å; E317-K320 IonicContact OE2-NZ 2.73Å; E317-K320 PolarHBondContact OE2-NZ 3.4Å; E317-K320 VanDerWaalsContact OE2-NZ 3.15Å; L318-K320 VanDerWaalsContact C-N 3.34Å; K320-F322 PolarHBondContact O-N 3.08Å; K320-R323 PolarHBondContact O-N 3.17Å; K320-S324 WeakPolarHBondContact O-CB 3.43Å; K320-S324 PolarHBondContact O-N 2.93Å; K320-S324 PolarHBondContact O-OG 3.39Å
321	W	87.4	Confident	72.8	Confident	9 Å²	9	58.7 Å²	58.7	3%	0.034	28%	0.284	C	S	.	.	H	α-helix	trans	-56.5	-51.6	173.8	172.1	50.4	0	0	0	110.9	Q168 R170 F172 E317 L318 R323 S324 S325 F467 A469 V504	Q168-W321 HydrophobicContact CB-CZ2 4.28Å; R170-W321 HydrophobicContact CB-CD2 4.33Å; R170-W321 HydrophobicContact CB-CH2 4.05Å; R170-W321 HydrophobicContact CB-CZ2 3.53Å; F172-W321 HydrophobicContact CE2-CD2 4.5Å; F172-W321 HydrophobicContact CE2-CE3 4.21Å; F172-W321 HydrophobicContact CZ-CB 4.16Å; F172-W321 HydrophobicContact CZ-CD2 4.2Å; F172-W321 HydrophobicContact CZ-CE3 4.15Å; F172-W321 HydrophobicContact CZ-CG 4.23Å; E317-W321 WeakPolarHBondContact O-CB 3.4Å; E317-W321 PolarHBondContact O-N 3.08Å; L318-W321 HydrophobicContact CD2-CE3 4.18Å; L318-W321 PolarHBondContact O-N 3.13Å; W321-R323 PolarHBondContact O-N 3.43Å; W321-S324 PolarHBondContact O-N 3.3Å; W321-S324 VanDerWaalsContact O-N 3.12Å; W321-S324 PolarHBondContact O-OG 2.86Å; W321-S325 PolarHBondContact O-N 2.85Å; W321-F467 HydrophobicContact CH2-CB 3.78Å; W321-F467 AromaticContact CH2-CD1 3.77Å; W321-F467 HydrophobicContact CH2-CD1 3.77Å; W321-F467 HydrophobicContact CH2-CG 4.29Å; W321-F467 AromaticContact CZ2-CD1 3.77Å; W321-F467 HydrophobicContact CZ2-CD1 3.77Å; W321-F467 HydrophobicContact CZ3-CB 3.95Å; W321-F467 HydrophobicContact CZ3-CD1 4.16Å; W321-A469 HydrophobicContact CZ3-CB 4Å; W321-V504 HydrophobicContact CZ3-CG1 4.09Å
322	F	83.2	Confident	71.8	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-56.2	-50.5	177.9	177.8	-92.1	0	0	0	112.4	L318 K320 S324 S325 F467 F499 L500 R503	L318-F322 WeakPolarHBondContact O-CB 3.23Å; L318-F322 PolarHBondContact O-N 3.1Å; K320-F322 PolarHBondContact O-N 3.08Å; F322-S324 PolarHBondContact O-N 2.89Å; F322-S325 PolarHBondContact O-N 3.13Å; F322-F467 AromaticContact CD2-CD2 4Å; F322-F467 HydrophobicContact CD2-CD2 4Å; F322-F467 HydrophobicContact CD2-CE1 4.34Å; F322-F467 AromaticContact CD2-CE2 3.83Å; F322-F467 HydrophobicContact CD2-CE2 3.83Å; F322-F467 HydrophobicContact CD2-CG 4.36Å; F322-F467 HydrophobicContact CD2-CZ 4.01Å; F322-F467 HydrophobicContact CE2-CD2 4.03Å; F322-F467 AromaticContact CE2-CE2 3.57Å; F322-F467 HydrophobicContact CE2-CE2 3.57Å; F322-F467 AromaticContact CE2-CZ 3.97Å; F322-F467 HydrophobicContact CE2-CZ 3.97Å; F322-F499 HydrophobicContact CD1-CZ 4.17Å; F322-L500 HydrophobicContact CB-CD2 4.38Å; F322-R503 HydrophobicContact CD2-CB 4.33Å; F322-R503 HydrophobicContact CE2-CB 4.07Å; F322-R503 HydrophobicContact CE2-CG 4.37Å; F322-R503 VanDerWaalsContact CZ-CD 3.42Å
323	R	82.4	Confident	70	Confident	158 Å²	158	57.2 Å²	57.2	60%	0.596	29%	0.287	S	S	*	.	H	α-helix	trans	-64	-24.7	178.6	-72.8	173.9	-174.1	-79.8	-0.4	113.8	S319 K320 W321	S319-R323 WeakPolarHBondContact O-CB 3.36Å; S319-R323 WeakPolarHBondContact O-CG 3.32Å; S319-R323 PolarHBondContact O-N 3.35Å; K320-R323 PolarHBondContact O-N 3.17Å; W321-R323 PolarHBondContact O-N 3.43Å
324	S	78	Confident	67.8	Low	68 Å²	68	63.8 Å²	63.8	48%	0.476	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	7.1	178.7	73	0	0	0	0	114.3	K159 K320 W321 F322	K159-S324 PolarHBondContact NZ-O 3.22Å; K320-S324 WeakPolarHBondContact O-CB 3.43Å; K320-S324 PolarHBondContact O-N 2.93Å; K320-S324 PolarHBondContact O-OG 3.39Å; W321-S324 PolarHBondContact O-N 3.3Å; W321-S324 VanDerWaalsContact O-N 3.12Å; W321-S324 PolarHBondContact O-OG 2.86Å; F322-S324 PolarHBondContact O-N 2.89Å
325	S	70.6	Confident	65.6	Low	4 Å²	4	63.9 Å²	63.9	3%	0.028	32%	0.316	C	S	.	.			trans	-96.9	126.9	175.6	-166.9	0	0	0	0	111	Q168 W321 F322 V327 S328	Q168-S325 VanDerWaalsContact CD-OG 3.23Å; Q168-S325 PolarHBondContact NE2-OG 2.97Å; Q168-S325 PolarHBondContact OE1-OG 2.85Å; W321-S325 PolarHBondContact O-N 2.85Å; F322-S325 PolarHBondContact O-N 3.13Å; S325-V327 PolarHBondContact O-N 3.14Å; S325-V327 VanDerWaalsContact O-N 3.16Å; S325-S328 WeakPolarHBondContact O-CB 3.44Å; S325-S328 PolarHBondContact O-N 3.21Å
326	S	56.6	Low	63	Low	51 Å²	51	70.7 Å²	70.7	36%	0.357	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.4	175.2	51.8	0	0	0	0	112.8	S328 E329	S326-S328 PolarHBondContact O-N 3.23Å; S326-E329 WeakPolarHBondContact O-CB 3.4Å; S326-E329 PolarHBondContact O-N 3.4Å; S326-E329 VanDerWaalsContact O-N 3.08Å
327	V	56.1	Low	60.6	Low	13 Å²	13	75.1 Å²	75.1	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-59.8	-23.6	172	172.6	0	0	0	0	112	P166 Q168 S325 E329 F331 F467	P166-V327 HydrophobicContact CB-CG1 4.44Å; Q168-V327 VanDerWaalsContact NE2-CG2 3.31Å; S325-V327 PolarHBondContact O-N 3.14Å; S325-V327 VanDerWaalsContact O-N 3.16Å; V327-E329 PolarHBondContact O-N 3.47Å; V327-F331 HydrophobicContact CG1-CD2 4.07Å; V327-F331 HydrophobicContact CG1-CE2 3.58Å; V327-F331 WeakPolarHBondContact O-CD2 3.5Å; V327-F467 HydrophobicContact CB-CZ 4.2Å; V327-F467 HydrophobicContact CG1-CE2 4.27Å; V327-F467 HydrophobicContact CG1-CZ 4.1Å
328	S	51	Low	58.4	Low	25 Å²	25	78.7 Å²	78.7	18%	0.175	39%	0.391	C	S	.	.	H	α-helix	trans	-65.4	-21	175.2	-170.5	0	0	0	0	113.7	S325 S326 S332	S325-S328 WeakPolarHBondContact O-CB 3.44Å; S325-S328 PolarHBondContact O-N 3.21Å; S326-S328 PolarHBondContact O-N 3.23Å; S328-S332 PolarHBondContact O-N 2.94Å
329	E	46.9	Very low	56.1	Low	146 Å²	146	84.1 Å²	84.1	68%	0.682	42%	0.416	S	S	*	.	H	α-helix	trans	-69.9	-45.8	-177.2	-65.7	-178.8	174.2	0	0	111.3	S326 V327 F331 S332	S326-E329 WeakPolarHBondContact O-CB 3.4Å; S326-E329 PolarHBondContact O-N 3.4Å; S326-E329 VanDerWaalsContact O-N 3.08Å; V327-E329 PolarHBondContact O-N 3.47Å; E329-F331 VanDerWaalsContact C-N 3.26Å; E329-F331 PolarHBondContact O-N 2.79Å; E329-S332 WeakPolarHBondContact O-CB 3.2Å; E329-S332 PolarHBondContact O-N 2.92Å; E329-S332 PolarHBondContact O-OG 2.92Å
330	H	47.8	Very low	53.5	Low	133 Å²	133	91 Å²	91	62%	0.616	45%	0.452	S	S	*	.	H	α-helix	trans	-59.6	-35	177.1	-68.8	-92.2	0	0	0	112.9	S333	H330-S333 PolarHBondContact O-OG 3.27Å
331	F	45.9	Very low	50.9	Low	70 Å²	70	91.7 Å²	91.7	31%	0.307	46%	0.455	S	S	.	.	H	α-helix	trans	-85.8	-11.4	-178.3	-62.8	-60.6	0	0	0	114.9	V327 E329 S333 F334 H466	V327-F331 HydrophobicContact CG1-CD2 4.07Å; V327-F331 HydrophobicContact CG1-CE2 3.58Å; V327-F331 WeakPolarHBondContact O-CD2 3.5Å; E329-F331 VanDerWaalsContact C-N 3.26Å; E329-F331 PolarHBondContact O-N 2.79Å; F331-S333 PolarHBondContact O-N 3.38Å; F331-F334 PolarHBondContact O-N 2.88Å; F331-H466 AromaticContact CE2-ND1 3.68Å; F331-H466 AromaticContact CZ-CE1 3.43Å; F331-H466 VanDerWaalsContact CZ-CE1 3.43Å; F331-H466 WeakPolarHBondContact CZ-CE1 3.33Å; F331-H466 AromaticContact CZ-ND1 3.37Å; F331-H466 WeakPolarHBondContact CZ-ND1 3.2Å
332	S	39.4	Very low	48.4	Very low	58 Å²	58	100.9 Å²	100.9	41%	0.406	50%	0.498	S	S	.	.	H	α-helix	trans	-62.2	-28.9	177.9	67.8	0	0	0	0	112.9	S328 E329 F334 S335	S328-S332 PolarHBondContact O-N 2.94Å; E329-S332 WeakPolarHBondContact O-CB 3.2Å; E329-S332 PolarHBondContact O-N 2.92Å; E329-S332 PolarHBondContact O-OG 2.92Å; S332-F334 PolarHBondContact O-N 3.4Å; S332-F334 VanDerWaalsContact O-N 3.1Å; S332-S335 PolarHBondContact O-N 3.12Å; S332-S335 PolarHBondContact O-OG 3.01Å
333	S	33.9	Very low	46.2	Very low	79 Å²	79	106.5 Å²	106.5	55%	0.552	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-21.8	177.6	59	0	0	0	0	115.1	H330 F331	H330-S333 PolarHBondContact O-OG 3.27Å; F331-S333 PolarHBondContact O-N 3.38Å
334	F	33.9	Very low	43.7	Very low	195 Å²	195	102 Å²	102	86%	0.855	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-6.1	177.1	-84.1	-83.1	0	0	0	114.4	F331 S332	F331-F334 PolarHBondContact O-N 2.88Å; S332-F334 PolarHBondContact O-N 3.4Å; S332-F334 VanDerWaalsContact O-N 3.1Å
335	S	39	Very low	41.3	Very low	20 Å²	20	108.3 Å²	108.3	14%	0.14	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-111.7	0.2	-174.7	45.3	0	0	0	0	115.7	S332 E337 Q338	S332-S335 PolarHBondContact O-N 3.12Å; S332-S335 PolarHBondContact O-OG 3.01Å; S335-E337 PolarHBondContact O-N 3Å; S335-Q338 PolarHBondContact O-N 3.21Å
336	Q	32.5	Very low	39.1	Very low	168 Å²	168	111.5 Å²	111.5	79%	0.785	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-16.7	-172.5	-160.1	168.4	9.7	0	0	115	Q338	Q336-Q338 VanDerWaalsContact C-N 3.3Å; Q336-Q338 PolarHBondContact O-N 3.39Å
337	E	36.2	Very low	37.8	Very low	203 Å²	203	114 Å²	114	95%	0.949	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-3.2	174	-64.8	-170.1	166.2	0	0	114.6	S335	S335-E337 PolarHBondContact O-N 3Å
338	Q	41.8	Very low	36.6	Very low	112 Å²	112	120.3 Å²	120.3	52%	0.523	62%	0.616	S	S	.	*	S	Bend	trans	-136.3	6.2	-168	-143.5	175.4	76.4	0	0	116.5	S335 Q336	S335-Q338 PolarHBondContact O-N 3.21Å; Q336-Q338 VanDerWaalsContact C-N 3.3Å; Q336-Q338 PolarHBondContact O-N 3.39Å
339	E	41.2	Very low	35.5	Very low	115 Å²	115	122.6 Å²	122.6	54%	0.537	63%	0.629	S	S	.	*			trans	-92.6	-3.7	-176.2	-66.7	-163.1	139.5	0	0	115.1	F341	E339-F341 PolarHBondContact O-N 3.12Å
340	D	31.5	Very low	34.8	Very low	157 Å²	157	121 Å²	121	84%	0.84	63%	0.631	S	S	*	*			trans	-82.2	55.7	-173	-150.7	33.9	0	0	0	113.8
341	F	33.5	Very low	33.9	Very low	138 Å²	138	118.9 Å²	118.9	61%	0.605	64%	0.637	S	S	*	*	S	Bend	trans	-152.5	104.8	165.4	-100.5	-77.7	0	0	0	111.3	E339 L343	E339-F341 PolarHBondContact O-N 3.12Å; F341-L343 PolarHBondContact O-N 3Å
342	E	34.3	Very low	33.2	Very low	201 Å²	201	120 Å²	120	94%	0.939	65%	0.647	S	S	*	*			trans	-55.1	127	173.9	-63	179.2	142.1	0	0	111.7
343	L	37.3	Very low	32.9	Very low	123 Å²	123	121.9 Å²	121.9	64%	0.644	65%	0.65	S	S	*	*			trans	-97.1	91.2	172.7	-171.7	73.7	0	0	0	108.4	F341 E345	F341-L343 PolarHBondContact O-N 3Å; L343-E345 PolarHBondContact O-N 3.2Å
344	G	29.9	Very low	32.6	Very low	62 Å²	62	121.4 Å²	121.4	64%	0.639	65%	0.645	S	S	*	*			trans	-55.8	132.1	-179.3	0	0	0	0	0	112.7	S346	G344-S346 PolarHBondContact O-N 3.07Å
345	E	27.5	Very low	32.9	Very low	202 Å²	202	121.5 Å²	121.5	94%	0.944	64%	0.64	S	S	*	*			trans	-70.5	110.5	178.5	-63.3	-161.4	149.3	0	0	111.1	L343	L343-E345 PolarHBondContact O-N 3.2Å
346	S	26	Very low	32.6	Very low	70 Å²	70	126.8 Å²	126.8	49%	0.49	66%	0.66	S	S	.	*			trans	-146.6	136.8	165.2	-176.2	0	0	0	0	109.9	G344 F348	G344-S346 PolarHBondContact O-N 3.07Å; S346-F348 WeakPolarHBondContact O-CD2 3.43Å; S346-F348 PolarHBondContact O-N 2.98Å
347	P	28.1	Very low	32.6	Very low	103 Å²	103	123.9 Å²	123.9	67%	0.669	66%	0.658	S	S	*	*			trans	-71.9	108.7	173.3	29.2	-32.2	0	0	0	110.2	T349	P347-T349 PolarHBondContact O-N 3.21Å
348	F	30.6	Very low	32.4	Very low	147 Å²	147	121.6 Å²	121.6	65%	0.645	65%	0.651	S	S	*	*			trans	-74.7	120.8	172.8	-64	-81.7	0	0	0	110.5	S346	S346-F348 WeakPolarHBondContact O-CD2 3.43Å; S346-F348 PolarHBondContact O-N 2.98Å
349	T	27.4	Very low	31.9	Very low	73 Å²	73	122 Å²	122	45%	0.448	66%	0.655	S	S	.	*			trans	-78.2	160.3	170.4	76.4	0	0	0	0	110.8	P347 A351 D352	P347-T349 PolarHBondContact O-N 3.21Å; T349-A351 PolarHBondContact O-N 2.8Å; T349-A351 VanDerWaalsContact O-N 3.09Å; T349-D352 PolarHBondContact O-N 1.91Å; T349-D352 PolarHBondContact OG1-OD2 3.16Å
350	P	33.3	Very low	31.3	Very low	111 Å²	111	121.1 Å²	121.1	72%	0.721	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-59.8	-21.6	178.1	-25.4	35.1	0	0	0	114.7	D352	P350-D352 VanDerWaalsContact C-N 3.32Å
351	A	28.2	Very low	31.4	Very low	90 Å²	90	121.1 Å²	121.1	74%	0.744	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-73.5	-24.6	175.8	0	0	0	0	0	112.8	T349	T349-A351 PolarHBondContact O-N 2.8Å; T349-A351 VanDerWaalsContact O-N 3.09Å
352	D	31.8	Very low	31.2	Very low	94 Å²	94	120.9 Å²	120.9	50%	0.503	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-97.7	21.4	-174.9	-61.1	-54.1	0	0	0	113.4	T349 P350 P354	T349-D352 PolarHBondContact O-N 1.91Å; T349-D352 PolarHBondContact OG1-OD2 3.16Å; P350-D352 VanDerWaalsContact C-N 3.32Å; D352-P354 WeakPolarHBondContact O-CD 3.31Å; D352-P354 VanDerWaalsContact O-N 3.08Å
353	M	33.3	Very low	31.3	Very low	96 Å²	96	116.4 Å²	116.4	47%	0.473	66%	0.657	S	S	.	*			trans	-58.4	113.3	156.9	-87.8	-146.7	81.8	0	0	107.5	R355 F489	M353-R355 PolarHBondContact O-N 3.05Å; M353-F489 HydrophobicContact CE-CE1 4.44Å; M353-F489 HydrophobicContact SD-CD1 4.49Å; M353-F489 HydrophobicContact SD-CE1 3.71Å; M353-F489 HydrophobicContact SD-CZ 4.4Å
354	P	28	Very low	31.4	Very low	69 Å²	69	113.9 Å²	113.9	45%	0.448	66%	0.661	S	S	.	*			trans	-62.3	133.8	-178.7	-21.8	35.1	0	0	0	108.5	D352 F356	D352-P354 WeakPolarHBondContact O-CD 3.31Å; D352-P354 VanDerWaalsContact O-N 3.08Å; P354-F356 HydrophobicContact CB-CD1 4.05Å; P354-F356 HydrophobicContact CB-CD2 3.98Å; P354-F356 HydrophobicContact CB-CE1 3.78Å; P354-F356 HydrophobicContact CB-CE2 3.73Å; P354-F356 HydrophobicContact CB-CG 4.16Å; P354-F356 HydrophobicContact CB-CZ 3.63Å; P354-F356 HydrophobicContact CG-CD2 4.46Å; P354-F356 HydrophobicContact CG-CE1 4.04Å; P354-F356 HydrophobicContact CG-CE2 3.72Å; P354-F356 HydrophobicContact CG-CZ 3.48Å; P354-F356 VanDerWaalsContact CG-CZ 3.48Å; P354-F356 WeakPolarHBondContact O-CD2 3.25Å; P354-F356 PolarHBondContact O-N 3.15Å
355	R	39.5	Very low	31.7	Very low	198 Å²	198	117.8 Å²	117.8	75%	0.747	67%	0.665	S	S	*	*			trans	-67.7	74.8	165	-68.5	-179.4	-178.3	-163.6	-5.2	107.8	M353 S357 D610	M353-R355 PolarHBondContact O-N 3.05Å; R355-S357 PolarHBondContact O-N 2.82Å; R355-D610 IonicContact CZ-OD2 2.68Å; R355-D610 IonicContact NH1-OD1 2.63Å; R355-D610 IonicContact NH1-OD2 3.24Å; R355-D610 PolarHBondContact NH1-OD2 3.37Å; R355-D610 IonicContact NH2-OD2 3.02Å; R355-D610 PolarHBondContact NH2-OD2 3.49Å
356	F	33.6	Very low	32	Very low	131 Å²	131	117.5 Å²	117.5	58%	0.575	66%	0.664	S	S	*	*			trans	-62	104.7	178.1	-70.1	-68	0	0	0	107.5	P354 I358	P354-F356 HydrophobicContact CB-CD1 4.05Å; P354-F356 HydrophobicContact CB-CD2 3.98Å; P354-F356 HydrophobicContact CB-CE1 3.78Å; P354-F356 HydrophobicContact CB-CE2 3.73Å; P354-F356 HydrophobicContact CB-CG 4.16Å; P354-F356 HydrophobicContact CB-CZ 3.63Å; P354-F356 HydrophobicContact CG-CD2 4.46Å; P354-F356 HydrophobicContact CG-CE1 4.04Å; P354-F356 HydrophobicContact CG-CE2 3.72Å; P354-F356 HydrophobicContact CG-CZ 3.48Å; P354-F356 VanDerWaalsContact CG-CZ 3.48Å; P354-F356 WeakPolarHBondContact O-CD2 3.25Å; P354-F356 PolarHBondContact O-N 3.15Å; F356-I358 PolarHBondContact O-N 2.83Å
357	S	30.9	Very low	32.5	Very low	106 Å²	106	122.9 Å²	122.9	74%	0.741	68%	0.679	S	S	*	*			trans	-44.8	134.3	-163.7	-165.4	0	0	0	0	113.1	R355 M359	R355-S357 PolarHBondContact O-N 2.82Å; S357-M359 PolarHBondContact O-N 3.26Å; S357-M359 VanDerWaalsContact O-N 3.09Å
358	I	33	Very low	32.7	Very low	156 Å²	156	125.6 Å²	125.6	80%	0.8	69%	0.687	S	S	*	*			trans	-53.1	118.5	159.5	-64.2	168	0	0	0	105.5	F356 S360	F356-I358 PolarHBondContact O-N 2.83Å; I358-S360 PolarHBondContact O-N 3Å
359	M	30.3	Very low	32.8	Very low	121 Å²	121	126.1 Å²	126.1	60%	0.596	70%	0.696	S	S	*	*			trans	-57.3	113.3	171.6	-69.3	-172.4	68.6	0	0	107.5	S357 N361 K765	S357-M359 PolarHBondContact O-N 3.26Å; S357-M359 VanDerWaalsContact O-N 3.09Å; M359-N361 PolarHBondContact O-N 3.49Å; M359-K765 PolarHBondContact SD-NZ 3.31Å; M359-K765 VanDerWaalsContact SD-NZ 3.37Å
360	S	30.1	Very low	33.1	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	71%	0.711	S	S	*	*			trans	-61.1	130.6	170.6	50.2	0	0	0	0	108.2	I358 D362	I358-S360 PolarHBondContact O-N 3Å; S360-D362 PolarHBondContact O-N 3.19Å
361	N	32.7	Very low	33.7	Very low	158 Å²	158	129.1 Å²	129.1	85%	0.845	72%	0.717	S	S	*	*			trans	-80.6	42.4	165.5	-78.7	-4.3	0	0	0	109.8	M359 S363	M359-N361 PolarHBondContact O-N 3.49Å; N361-S363 PolarHBondContact O-N 3.07Å; N361-S363 VanDerWaalsContact O-N 3.15Å
362	D	29.7	Very low	33.7	Very low	133 Å²	133	130.5 Å²	130.5	71%	0.711	72%	0.721	S	S	*	*			trans	-77.8	99.5	171.3	-173.6	8.3	0	0	0	108	S360 G364	S360-D362 PolarHBondContact O-N 3.19Å; D362-G364 PolarHBondContact O-N 3.34Å
363	S	35.4	Very low	33.6	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	73%	0.729	S	S	*	*			trans	-77.6	76.8	173.6	-66.2	0	0	0	0	108.5	N361 I365	N361-S363 PolarHBondContact O-N 3.07Å; N361-S363 VanDerWaalsContact O-N 3.15Å; S363-I365 PolarHBondContact O-N 3.13Å
364	G	39.7	Very low	33.3	Very low	70 Å²	70	132 Å²	132	72%	0.722	74%	0.738	S	S	*	*			trans	-62.1	80.1	175.6	0	0	0	0	0	112.5	D362	D362-G364 PolarHBondContact O-N 3.34Å
365	I	36.5	Very low	33.3	Very low	144 Å²	144	138 Å²	138	74%	0.738	76%	0.758	S	S	*	*			trans	-135.9	80.2	163.3	-56.8	180	0	0	0	105.5	S363	S363-I365 PolarHBondContact O-N 3.13Å
366	E	33.6	Very low	32.5	Very low	196 Å²	196	133.7 Å²	133.7	92%	0.916	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-67.5	135.4	154.8	-73.5	-167.1	143.8	0	0	107.7
367	K	36.2	Very low	33	Very low	183 Å²	183	132.8 Å²	132.8	80%	0.796	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-103.9	119.3	-166.4	-157.9	-178.2	-172.5	-175.2	0	108.5	L369	K367-L369 PolarHBondContact O-N 2.96Å
368	D	33	Very low	32.8	Very low	160 Å²	160	132.6 Å²	132.6	86%	0.856	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-55.2	130.9	175.5	-61.7	-61.9	0	0	0	111.2
369	L	33	Very low	32.4	Very low	157 Å²	157	130.9 Å²	130.9	82%	0.822	76%	0.761	S	S	*	*			trans	-138.5	130.7	165.2	-75.8	177.6	0	0	0	110.1	K367	K367-L369 PolarHBondContact O-N 2.96Å
370	P	34	Very low	32.3	Very low	117 Å²	117	129.7 Å²	129.7	76%	0.76	77%	0.765	S	S	*	*			trans	-80.5	170.8	176.2	35.6	-35.9	0	0	0	111.8
371	P	46	Very low	32.3	Very low	131 Å²	131	132 Å²	132	85%	0.851	77%	0.768	S	S	*	*			trans	-89.1	156.7	-151.7	34.8	-37	0	0	0	115.1
372	S	28.5	Very low	31.9	Very low	119 Å²	119	130.3 Å²	130.3	83%	0.832	76%	0.759	S	S	*	*			trans	-132.3	137.2	157.4	58.8	0	0	0	0	109.9
373	S	29.1	Very low	31.9	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	76%	0.761	S	S	*	*			trans	-66.6	159.7	179.8	54.8	0	0	0	0	111.8
374	D	27.2	Very low	31.7	Very low	126 Å²	126	130.3 Å²	130.3	67%	0.674	76%	0.757	S	S	*	*				-171.3	174.8	57.1	-92.4	-65	0	0	0	112.8
375	F	27.1	Very low	31	Very low	195 Å²	195	131.8 Å²	131.8	86%	0.855	76%	0.755	S	S	*	*			trans	79	91.2	165.6	-57.7	-66.6	0	0	0	119.8
376	S	24.1	Very low	30.5	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	76%	0.757	S	S	*	*			trans	-70.6	-170.3	147.6	59.1	0	0	0	0	111.8
377	P	43.9	Very low	30.1	Very low	113 Å²	113	130.1 Å²	130.1	73%	0.734	75%	0.751	S	S	*	*			cis	-120.4	175.1	-12	25.6	-2.4	0	0	0	111.9
378	S	25.5	Very low	29.6	Very low	102 Å²	102	125.8 Å²	125.8	71%	0.713	74%	0.743	S	S	*	*				161.9	155	84.5	57	0	0	0	0	107.2
379	T	25	Very low	29.1	Very low	120 Å²	120	121.8 Å²	121.8	74%	0.736	73%	0.732	S	S	*	*			cis	-166	158.6	6.3	2.9	0	0	0	0	109.4
380	S	28.4	Very low	28.8	Very low	96 Å²	96	124.9 Å²	124.9	67%	0.671	73%	0.733	S	S	*	*			trans	65.2	140.8	144.3	64.6	0	0	0	0	120.8
381	L	29	Very low	28.3	Very low	142 Å²	142	125.8 Å²	125.8	74%	0.743	73%	0.728	S	S	*	*			cis	-161.8	150.1	-3.9	-136.6	75.7	0	0	0	108.8
382	D	26.1	Very low	27.3	Very low	123 Å²	123	127.3 Å²	127.3	66%	0.658	72%	0.723	S	S	*	*			trans	50.4	147.1	139	-64.1	6.8	0	0	0	122.6
383	N	28.8	Very low	26.9	Very low	139 Å²	139	126.5 Å²	126.5	74%	0.743	72%	0.717	S	S	*	*			cis	-155.3	168.7	1.5	-118.8	-21	0	0	0	111.7
384	P	30.2	Very low	26.7	Very low	102 Å²	102	130.8 Å²	130.8	66%	0.662	72%	0.723	S	S	*	*			trans	-107.7	178.9	-169.1	42.5	-37.7	0	0	0	115
385	C	25.7	Very low	26.5	Very low	101 Å²	101	132.1 Å²	132.1	68%	0.682	73%	0.73	S	S	*	*			trans	150	123.3	144.1	-84.2	0	0	0	0	111.7
386	I	27.1	Very low	26.4	Very low	152 Å²	152	130.2 Å²	130.2	78%	0.779	72%	0.724	S	S	*	*				71.7	128.8	80.4	-76.4	173.5	0	0	0	110.2
387	I	24.6	Very low	26.5	Very low	153 Å²	153	132.8 Å²	132.8	79%	0.785	72%	0.724	S	S	*	*			cis	-162	170.6	9.3	-127.5	-175.3	0	0	0	108.1
388	S	24.6	Very low	25.7	Very low	91 Å²	91	134.4 Å²	134.4	64%	0.636	73%	0.727	S	S	*	*			cis	-163	156.5	-4.2	55.9	0	0	0	0	111.2
389	A	24.3	Very low	25.9	Very low	76 Å²	76	134.4 Å²	134.4	63%	0.628	73%	0.727	S	S	*	*			trans	64	132.5	142.3	0	0	0	0	0	122.4
390	W	25.1	Very low	26.2	Very low	222 Å²	222	134.1 Å²	134.1	84%	0.841	73%	0.73	S	S	*	*				53.3	142.4	126	92.4	-28.3	0	0	0	121
391	E	24.2	Very low	26.4	Very low	137 Å²	137	140.6 Å²	140.6	64%	0.64	74%	0.739	S	S	*	*			cis	-159.9	153.3	3.2	-133.8	177.8	-138.1	0	0	110.8
392	Q	24	Very low	26.4	Very low	162 Å²	162	142 Å²	142	76%	0.757	75%	0.747	S	S	*	*			trans	66.7	132.5	157	-55.8	-172.7	20.5	0	0	123.8
393	C	21.9	Very low	26.6	Very low	103 Å²	103	144 Å²	144	70%	0.696	76%	0.756	S	S	*	*			trans	88.2	101.8	145.4	-79.1	0	0	0	0	123.5
394	K	23.1	Very low	26.8	Very low	184 Å²	184	148.9 Å²	148.9	80%	0.8	77%	0.765	S	S	*	*			trans	78.8	116.5	130.9	-68.7	-176.5	175.3	179.4	0	121.4
395	N	24.3	Very low	26.9	Very low	154 Å²	154	154.2 Å²	154.2	82%	0.824	77%	0.771	S	S	*	*			trans	62.8	144.8	147.6	-66.9	13	0	0	0	116.5
396	E	24.6	Very low	27	Very low	155 Å²	155	152.4 Å²	152.4	72%	0.724	77%	0.77	S	S	*	*			cis	-142.2	169.3	18.6	-65.7	-179.1	128.5	0	0	111.5
397	Q	25.5	Very low	27.1	Very low	161 Å²	161	148.6 Å²	148.6	75%	0.752	77%	0.768	S	S	*	*			trans	53	144.8	150.4	-70	168.5	13.2	0	0	120.3
398	D	28.7	Very low	27.7	Very low	147 Å²	147	147.8 Å²	147.8	79%	0.786	76%	0.764	S	S	*	*			cis	-159.9	137.9	-15.9	-125.6	-29.5	0	0	0	107.7
399	S	28.6	Very low	28.3	Very low	103 Å²	103	152.1 Å²	152.1	72%	0.72	77%	0.771	S	S	*	*			trans	-150	70.8	169.5	63.2	0	0	0	0	113.4	R401	S399-R401 PolarHBondContact O-N 2.94Å
400	S	30.8	Very low	28.9	Very low	113 Å²	113	154.3 Å²	154.3	79%	0.79	77%	0.772	S	S	*	*			trans	33.6	65.1	145.1	65.2	0	0	0	0	117.3	L402	S400-L402 PolarHBondContact O-N 3.3Å
401	R	32.5	Very low	29.8	Very low	233 Å²	233	150.9 Å²	150.9	88%	0.879	76%	0.763	S	S	*	*			trans	-77.4	106.5	161.7	-75.4	-176.1	174.3	-175.8	-1.4	109.5	S399 L403	S399-R401 PolarHBondContact O-N 2.94Å; R401-L403 PolarHBondContact O-N 3.43Å
402	L	30.7	Very low	30.7	Very low	172 Å²	172	147 Å²	147	90%	0.901	75%	0.75	S	S	*	*			trans	-66.4	93.1	168.6	-73	173.6	0	0	0	110.1	S400 R404	S400-L402 PolarHBondContact O-N 3.3Å; L402-R404 PolarHBondContact O-N 3.46Å; L402-R404 VanDerWaalsContact O-N 3.14Å
403	L	29.7	Very low	32	Very low	164 Å²	164	142.9 Å²	142.9	86%	0.859	74%	0.735	S	S	*	*			trans	-66	108.2	170.1	-78.5	163.6	0	0	0	109.5	R401 R405	R401-L403 PolarHBondContact O-N 3.43Å; L403-R405 PolarHBondContact O-N 3.12Å
404	R	33.4	Very low	33.2	Very low	242 Å²	242	141.9 Å²	141.9	91%	0.913	74%	0.735	S	S	*	*			trans	-63.9	103.9	165.9	-82.4	-172	171.6	-166.9	-0.4	108.9	L402 G406	L402-R404 PolarHBondContact O-N 3.46Å; L402-R404 VanDerWaalsContact O-N 3.14Å; R404-G406 PolarHBondContact O-N 2.63Å
405	R	30.7	Very low	34.6	Very low	213 Å²	213	141 Å²	141	80%	0.804	73%	0.731	S	S	*	*			trans	-56.8	120.9	161.5	-158.9	178.9	-164.5	-147.8	2.6	107	L403 G407	L403-R405 PolarHBondContact O-N 3.12Å; R405-G407 PolarHBondContact O-N 3.06Å
406	G	28.3	Very low	35.9	Very low	64 Å²	64	135.9 Å²	135.9	66%	0.66	70%	0.703	S	S	*	*			trans	-60.1	111.1	-175.3	0	0	0	0	0	110.8	R404 I408	R404-G406 PolarHBondContact O-N 2.63Å; G406-I408 PolarHBondContact O-N 3.12Å
407	G	29.6	Very low	37.2	Very low	71 Å²	71	129 Å²	129	73%	0.732	68%	0.675	S	S	*	*			trans	-66.3	105.1	174.5	0	0	0	0	0	109.8	R405 K409	R405-G407 PolarHBondContact O-N 3.06Å; G407-K409 PolarHBondContact O-N 3.27Å
408	I	36.7	Very low	38.6	Very low	137 Å²	137	127.2 Å²	127.2	70%	0.703	67%	0.668	S	S	*	*			trans	-62	109.9	176.4	-60.1	172.3	0	0	0	107.7	G406 L410	G406-I408 PolarHBondContact O-N 3.12Å; I408-L410 HydrophobicContact CG2-CD1 4.21Å; I408-L410 PolarHBondContact O-N 3.4Å
409	K	38.3	Very low	39.8	Very low	181 Å²	181	121 Å²	121	79%	0.787	64%	0.635	S	S	*	*			trans	-72.5	82.4	167.9	-79.3	-179.9	177.5	169	0	108.3	G407 K411	G407-K409 PolarHBondContact O-N 3.27Å; K409-K411 PolarHBondContact O-N 2.88Å
410	L	36.9	Very low	41.1	Very low	122 Å²	122	116.6 Å²	116.6	64%	0.639	60%	0.603	S	S	*	*			trans	-61.2	103.3	167.2	-137.6	97.8	0	0	0	107.3	I408	I408-L410 HydrophobicContact CG2-CD1 4.21Å; I408-L410 PolarHBondContact O-N 3.4Å
411	K	43.5	Very low	42.1	Very low	150 Å²	150	112.1 Å²	112.1	65%	0.652	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-79.9	126.5	166.5	-73.7	-178.5	177.8	177.3	0	106.4	K409 T413 M762	K409-K411 PolarHBondContact O-N 2.88Å; K411-T413 PolarHBondContact O-N 2.83Å; K411-M762 HydrophobicContact CG-CE 4.49Å
412	P	43.8	Very low	42.9	Very low	56 Å²	56	104 Å²	104	36%	0.364	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-50.9	127.1	161.5	-23.4	33.6	0	0	0	108.4	D416 M762	P412-D416 HydrophobicContact CB-CB 4.13Å; P412-M762 HydrophobicContact CG-SD 4.25Å
413	T	49.8	Very low	43.6	Very low	75 Å²	75	97.4 Å²	97.4	46%	0.46	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-70.2	164.2	179	66.2	0	0	0	0	110.1	K411 K415 D416 G417	K411-T413 PolarHBondContact O-N 2.83Å; T413-K415 PolarHBondContact O-N 3.17Å; T413-K415 VanDerWaalsContact O-N 3.17Å; T413-D416 WeakPolarHBondContact CB-OD2 3.17Å; T413-D416 PolarHBondContact N-OD2 3.3Å; T413-D416 WeakPolarHBondContact O-CB 3.18Å; T413-D416 PolarHBondContact O-N 3.05Å; T413-D416 VanDerWaalsContact O-N 3.13Å; T413-D416 PolarHBondContact OG1-N 2.62Å; T413-D416 PolarHBondContact OG1-OD2 3.49Å; T413-G417 PolarHBondContact O-N 3.47Å; T413-G417 VanDerWaalsContact O-N 3.11Å
414	A	47.5	Very low	44.1	Very low	82 Å²	82	89.8 Å²	89.8	68%	0.678	47%	0.468	S	S	*	.	H	α-helix	trans	-59.1	-27.1	174.8	0	0	0	0	0	112.4	M418	A414-M418 WeakPolarHBondContact O-CG 3.27Å; A414-M418 PolarHBondContact O-N 2.83Å; A414-M418 VanDerWaalsContact O-N 3.14Å
415	K	52.2	Low	44.3	Very low	166 Å²	166	81.5 Å²	81.5	72%	0.722	44%	0.442	S	S	*	.	H	α-helix	trans	-65.1	-50.6	173.1	-65.2	-176.7	176.5	-178.5	0	111.1	T413 G417 M418 V419	T413-K415 PolarHBondContact O-N 3.17Å; T413-K415 VanDerWaalsContact O-N 3.17Å; K415-G417 PolarHBondContact O-N 2.95Å; K415-M418 WeakPolarHBondContact O-CA 3.41Å; K415-M418 WeakPolarHBondContact O-CB 3.23Å; K415-M418 PolarHBondContact O-N 2.97Å; K415-V419 WeakPolarHBondContact O-CG2 3.48Å; K415-V419 PolarHBondContact O-N 3.31Å
416	D	52.7	Low	44.7	Very low	46 Å²	46	75 Å²	75	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-56.6	-39.7	176.9	-53.2	-37.6	0	0	0	111.5	P412 T413 M418 V419 L420 L498	P412-D416 HydrophobicContact CB-CB 4.13Å; T413-D416 WeakPolarHBondContact CB-OD2 3.17Å; T413-D416 PolarHBondContact N-OD2 3.3Å; T413-D416 WeakPolarHBondContact O-CB 3.18Å; T413-D416 PolarHBondContact O-N 3.05Å; T413-D416 VanDerWaalsContact O-N 3.13Å; T413-D416 PolarHBondContact OG1-N 2.62Å; T413-D416 PolarHBondContact OG1-OD2 3.49Å; D416-M418 VanDerWaalsContact C-N 3.34Å; D416-M418 PolarHBondContact O-N 2.97Å; D416-V419 PolarHBondContact O-N 3.09Å; D416-L420 PolarHBondContact O-N 2.9Å; D416-L498 HydrophobicContact CB-CD1 3.66Å
417	G	51.3	Low	45.2	Very low	12 Å²	12	74.7 Å²	74.7	12%	0.124	40%	0.403	C	S	.	.	H	α-helix	trans	-63.1	-34.6	174.3	0	0	0	0	0	114.2	T413 K415 M421 Q759	T413-G417 PolarHBondContact O-N 3.47Å; T413-G417 VanDerWaalsContact O-N 3.11Å; K415-G417 PolarHBondContact O-N 2.95Å; G417-M421 WeakPolarHBondContact O-CG 3.4Å; G417-M421 PolarHBondContact O-N 3.29Å; G417-Q759 PolarHBondContact O-NE2 2.8Å; G417-Q759 VanDerWaalsContact O-NE2 3.11Å
418	M	55.4	Low	45.6	Very low	122 Å²	122	73.3 Å²	73.3	60%	0.601	38%	0.379	S	S	*	.	H	α-helix	trans	-76.1	-33.5	174.9	-73	176.3	61.8	0	0	112.8	A414 K415 D416 M421 Q422 L776	A414-M418 WeakPolarHBondContact O-CG 3.27Å; A414-M418 PolarHBondContact O-N 2.83Å; A414-M418 VanDerWaalsContact O-N 3.14Å; K415-M418 WeakPolarHBondContact O-CA 3.41Å; K415-M418 WeakPolarHBondContact O-CB 3.23Å; K415-M418 PolarHBondContact O-N 2.97Å; D416-M418 VanDerWaalsContact C-N 3.34Å; D416-M418 PolarHBondContact O-N 2.97Å; M418-M421 CarbonylContact O-C 3.16Å; M418-M421 WeakPolarHBondContact O-CA 3.24Å; M418-M421 VanDerWaalsContact O-CB 3.31Å; M418-M421 WeakPolarHBondContact O-CB 3.25Å; M418-M421 PolarHBondContact O-N 2.96Å; M418-Q422 PolarHBondContact O-N 3.31Å; M418-L776 HydrophobicContact CG-CD1 4.49Å
419	V	54.3	Low	45.3	Very low	18 Å²	18	71.2 Å²	71.2	11%	0.109	38%	0.375	C	S	.	.	H	α-helix	trans	-69.5	-42	179.4	178.8	0	0	0	0	111.1	K415 D416 M421 Q422 D423 Q463 L498 M502	K415-V419 WeakPolarHBondContact O-CG2 3.48Å; K415-V419 PolarHBondContact O-N 3.31Å; D416-V419 PolarHBondContact O-N 3.09Å; V419-M421 PolarHBondContact O-N 3.38Å; V419-Q422 PolarHBondContact O-N 3.25Å; V419-D423 PolarHBondContact O-N 3.45Å; V419-D423 VanDerWaalsContact O-N 3.15Å; V419-Q463 VanDerWaalsContact CG2-OE1 3.24Å; V419-L498 HydrophobicContact CB-CD1 4.49Å; V419-M502 HydrophobicContact CG1-CE 4.22Å; V419-M502 HydrophobicContact CG1-CG 3.96Å; V419-M502 HydrophobicContact CG2-CE 4.06Å
420	L	54.3	Low	45.1	Very low	10 Å²	10	67.5 Å²	67.5	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-25	172.9	-157.1	146.8	0	0	0	111.8	D416 D423 T424 A495 L498 M780	D416-L420 PolarHBondContact O-N 2.9Å; L420-D423 WeakPolarHBondContact O-CB 3.22Å; L420-T424 PolarHBondContact O-OG1 3.42Å; L420-A495 HydrophobicContact CD1-CB 4.49Å; L420-L498 HydrophobicContact CD1-CD2 4.19Å; L420-M780 HydrophobicContact CB-CE 4.22Å; L420-M780 HydrophobicContact CD2-CE 3.47Å; L420-M780 VanDerWaalsContact CD2-CE 3.47Å; L420-M780 HydrophobicContact CD2-SD 4.18Å; L420-M780 HydrophobicContact CG-CE 4.45Å
421	M	51.8	Low	44.8	Very low	18 Å²	18	64.9 Å²	64.9	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-71.6	-39.5	167.4	-75.2	-174.8	60.3	0	0	113.2	G417 M418 V419 D423 T424 L425 L776 Y779 M780	G417-M421 WeakPolarHBondContact O-CG 3.4Å; G417-M421 PolarHBondContact O-N 3.29Å; M418-M421 CarbonylContact O-C 3.16Å; M418-M421 WeakPolarHBondContact O-CA 3.24Å; M418-M421 VanDerWaalsContact O-CB 3.31Å; M418-M421 WeakPolarHBondContact O-CB 3.25Å; M418-M421 PolarHBondContact O-N 2.96Å; V419-M421 PolarHBondContact O-N 3.38Å; M421-D423 VanDerWaalsContact C-N 3.32Å; M421-D423 PolarHBondContact O-N 3.33Å; M421-T424 CarbonylContact O-C 3.47Å; M421-T424 WeakPolarHBondContact O-CA 3.33Å; M421-T424 WeakPolarHBondContact O-CB 3.47Å; M421-T424 PolarHBondContact O-N 3.21Å; M421-L425 HydrophobicContact CB-CD1 4.29Å; M421-L425 HydrophobicContact CE-CD1 3.79Å; M421-L425 WeakPolarHBondContact O-CB 3.45Å; M421-L425 WeakPolarHBondContact O-CG 3.5Å; M421-L425 PolarHBondContact O-N 2.98Å; M421-L776 HydrophobicContact SD-CB 3.58Å; M421-L776 VanDerWaalsContact SD-CB 3.58Å; M421-L776 HydrophobicContact SD-CD1 3.84Å; M421-L776 HydrophobicContact SD-CD2 3.71Å; M421-L776 HydrophobicContact SD-CG 3.87Å; M421-Y779 VanDerWaalsContact CE-CB 3.47Å; M421-Y779 HydrophobicContact CE-CD2 4.01Å; M421-Y779 HydrophobicContact CE-CG 4.08Å; M421-M780 HydrophobicContact CB-CE 4.31Å; M421-M780 HydrophobicContact CG-CE 3.49Å; M421-M780 VanDerWaalsContact CG-CE 3.49Å; M421-M780 HydrophobicContact CG-CG 4.14Å
422	Q	49.7	Very low	44	Very low	63 Å²	63	62.4 Å²	62.4	29%	0.294	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-43.9	-178.7	-175.6	165.1	-8.5	0	0	110.8	M418 V419 T424 L425 E426	M418-Q422 PolarHBondContact O-N 3.31Å; V419-Q422 PolarHBondContact O-N 3.25Å; Q422-T424 PolarHBondContact O-N 2.88Å; Q422-L425 PolarHBondContact O-N 3.36Å; Q422-L425 VanDerWaalsContact O-N 3.16Å; Q422-E426 HydrophobicContact CG-CG 4.36Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.49Å; Q422-E426 PolarHBondContact NE2-OE1 2.69Å; Q422-E426 VanDerWaalsContact NE2-OE1 3.08Å; Q422-E426 WeakPolarHBondContact O-CB 3.44Å; Q422-E426 WeakPolarHBondContact O-CG 3.23Å; Q422-E426 PolarHBondContact O-N 2.69Å
423	D	46	Very low	43.2	Very low	33 Å²	33	64.7 Å²	64.7	18%	0.176	39%	0.393	C	S	.	.	H	α-helix	trans	-44.7	-33.3	166.1	-131.7	3.2	0	0	0	113.9	V419 L420 M421 R465 R491	V419-D423 PolarHBondContact O-N 3.45Å; V419-D423 VanDerWaalsContact O-N 3.15Å; L420-D423 WeakPolarHBondContact O-CB 3.22Å; M421-D423 VanDerWaalsContact C-N 3.32Å; M421-D423 PolarHBondContact O-N 3.33Å; D423-R465 IonicContact OD1-CZ 3.39Å; D423-R465 IonicContact OD1-NH1 3.52Å; D423-R465 PolarHBondContact OD1-NH1 3.23Å; D423-R465 IonicContact OD1-NH2 2.66Å; D423-R465 PolarHBondContact OD1-NH2 3.13Å; D423-R465 IonicContact OD2-NH2 3.96Å; D423-R491 IonicContact OD2-CZ 3.56Å; D423-R491 IonicContact OD2-NH1 3.94Å; D423-R491 PolarHBondContact OD2-NH1 3.33Å
424	T	40.8	Very low	42.4	Very low	5 Å²	5	65.3 Å²	65.3	3%	0.031	41%	0.414	C	S	.	.	H	α-helix	trans	-104.2	-18.9	-169.8	-53.7	0	0	0	0	113	L420 M421 Q422 N428 M780 S781	L420-T424 PolarHBondContact O-OG1 3.42Å; M421-T424 CarbonylContact O-C 3.47Å; M421-T424 WeakPolarHBondContact O-CA 3.33Å; M421-T424 WeakPolarHBondContact O-CB 3.47Å; M421-T424 PolarHBondContact O-N 3.21Å; Q422-T424 PolarHBondContact O-N 2.88Å; T424-N428 PolarHBondContact O-ND2 3.42Å; T424-M780 HydrophobicContact CG2-CB 4.23Å; T424-S781 VanDerWaalsContact CG2-OG 3.23Å; T424-S781 WeakPolarHBondContact CG2-OG 3.14Å
425	L	35.9	Very low	41.3	Very low	67 Å²	67	65 Å²	65	35%	0.351	42%	0.418	S	S	.	.	H	α-helix	trans	-94.7	-27.7	178.2	-76.1	172.2	0	0	0	112	M421 Q422 D427 N428	M421-L425 HydrophobicContact CB-CD1 4.29Å; M421-L425 HydrophobicContact CE-CD1 3.79Å; M421-L425 WeakPolarHBondContact O-CB 3.45Å; M421-L425 WeakPolarHBondContact O-CG 3.5Å; M421-L425 PolarHBondContact O-N 2.98Å; Q422-L425 PolarHBondContact O-N 3.36Å; Q422-L425 VanDerWaalsContact O-N 3.16Å; L425-D427 PolarHBondContact O-N 3.17Å; L425-N428 CarbonylContact O-C 3.32Å; L425-N428 PolarHBondContact O-N 2.73Å
426	E	40.1	Very low	40	Very low	77 Å²	77	60.4 Å²	60.4	36%	0.36	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.6	164.6	-74.2	173.9	-172.4	0	0	110.9	Q422 M453 R465	Q422-E426 HydrophobicContact CG-CG 4.36Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.49Å; Q422-E426 PolarHBondContact NE2-OE1 2.69Å; Q422-E426 VanDerWaalsContact NE2-OE1 3.08Å; Q422-E426 WeakPolarHBondContact O-CB 3.44Å; Q422-E426 WeakPolarHBondContact O-CG 3.23Å; Q422-E426 PolarHBondContact O-N 2.69Å; E426-M453 WeakPolarHBondContact O-CE 3.43Å; E426-R465 IonicContact OE2-NH1 3.15Å
427	D	38.7	Very low	38.9	Very low	57 Å²	57	65.2 Å²	65.2	31%	0.305	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-3	171	-91.9	-17.5	0	0	0	115.5	L425 Y594	L425-D427 PolarHBondContact O-N 3.17Å; D427-Y594 PolarHBondContact OD1-OH 3.2Å
428	N	37	Very low	37.6	Very low	42 Å²	42	67.9 Å²	67.9	23%	0.225	48%	0.479	C	S	.	.			trans	-152.8	102.5	-176.9	-74.6	-82.9	0	0	0	115.2	T424 L425	T424-N428 PolarHBondContact O-ND2 3.42Å; L425-N428 CarbonylContact O-C 3.32Å; L425-N428 PolarHBondContact O-N 2.73Å
429	P	31.7	Very low	36.7	Very low	94 Å²	94	72.8 Å²	72.8	61%	0.61	50%	0.497	S	S	*	.			trans	-85.3	-3.7	174.7	33.8	-34.9	0	0	0	114.5	A431 A432	P429-A431 PolarHBondContact O-N 2.91Å; P429-A432 PolarHBondContact O-N 2.73Å
430	S	32.7	Very low	35.3	Very low	102 Å²	102	75.2 Å²	75.2	71%	0.713	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	5.7	-170.3	-45.5	0	0	0	0	116.2
431	A	31.5	Very low	34.1	Very low	68 Å²	68	78.5 Å²	78.5	56%	0.562	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-9.6	179	0	0	0	0	0	114.2	P429	P429-A431 PolarHBondContact O-N 2.91Å
432	A	25.8	Very low	33.3	Very low	97 Å²	97	88.9 Å²	88.9	80%	0.802	60%	0.6	S	S	*	*	S	Bend	trans	-98.3	-6.4	-169.3	0	0	0	0	0	115.7	P429	P429-A432 PolarHBondContact O-N 2.73Å
433	S	27.9	Very low	32.6	Very low	105 Å²	105	97.5 Å²	97.5	73%	0.734	63%	0.63	S	S	*	*	S	Bend	trans	-89.4	113.1	171.8	50.6	0	0	0	0	110.8
434	G	32.2	Very low	32.1	Very low	88 Å²	88	100.4 Å²	100.4	91%	0.907	66%	0.659	S	S	*	*			trans	-63.9	136.2	-174.4	0	0	0	0	0	114.2
435	G	25.1	Very low	32.1	Very low	75 Å²	75	103 Å²	103	77%	0.773	68%	0.68	S	S	*	*			trans	-165.8	130.6	172.2	0	0	0	0	0	110.3
436	G	25.4	Very low	32.7	Very low	69 Å²	69	101.7 Å²	101.7	71%	0.711	68%	0.675	S	S	*	*			trans	-67.9	174.6	-173.4	0	0	0	0	0	115.1	G438	G436-G438 PolarHBondContact O-N 2.89Å
437	P	28.6	Very low	33	Very low	148 Å²	148	98.1 Å²	98.1	96%	0.961	66%	0.659	S	S	*	*			trans	-75.1	84	-170.8	31.3	-35.9	0	0	0	112.8
438	G	25.1	Very low	33.2	Very low	68 Å²	68	97.9 Å²	97.9	70%	0.701	66%	0.655	S	S	*	*			trans	-102.9	133.9	172.3	0	0	0	0	0	113	G436 G440	G436-G438 PolarHBondContact O-N 2.89Å; G438-G440 PolarHBondContact O-N 2.83Å
439	K	35.4	Very low	33.7	Very low	225 Å²	225	105.2 Å²	105.2	98%	0.978	68%	0.68	S	S	*	*			trans	-62.8	122.1	170	-75.4	176.3	174.7	175.1	0	110.1
440	G	25.3	Very low	34.6	Very low	68 Å²	68	104 Å²	104	70%	0.701	66%	0.663	S	S	*	*			trans	-172.6	136.9	172.6	0	0	0	0	0	111.6	G438 R442	G438-G440 PolarHBondContact O-N 2.83Å; G440-R442 PolarHBondContact O-N 2.97Å
441	G	30.3	Very low	34.9	Very low	79 Å²	79	99.5 Å²	99.5	81%	0.814	63%	0.632	S	S	*	*			trans	-62.4	121.4	-175.8	0	0	0	0	0	112.3	R443	G441-R443 PolarHBondContact O-N 2.82Å; G441-R443 VanDerWaalsContact O-N 3.08Å
442	R	33.3	Very low	35.3	Very low	236 Å²	236	96.4 Å²	96.4	89%	0.891	61%	0.607	S	S	*	*			trans	-66.5	107.3	173.9	-69.7	-176.6	179.6	-174.8	-1.3	109.2	G440 A444	G440-R442 PolarHBondContact O-N 2.97Å; R442-A444 PolarHBondContact O-N 2.81Å; R442-A444 VanDerWaalsContact O-N 3.17Å
443	R	35	Very low	36	Very low	245 Å²	245	94.5 Å²	94.5	93%	0.925	58%	0.582	S	S	*	*			trans	-58.7	115.4	163.7	-71	177.1	174.4	167.1	-2.7	107.7	G441 A445	G441-R443 PolarHBondContact O-N 2.82Å; G441-R443 VanDerWaalsContact O-N 3.08Å; R443-A445 PolarHBondContact O-N 2.96Å
444	A	37.1	Very low	36.3	Very low	94 Å²	94	90.7 Å²	90.7	78%	0.777	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-65.2	120.8	164.9	0	0	0	0	0	107.4	R442 T446	R442-A444 PolarHBondContact O-N 2.81Å; R442-A444 VanDerWaalsContact O-N 3.17Å; A444-T446 PolarHBondContact O-N 2.91Å
445	A	40.5	Very low	36.4	Very low	58 Å²	58	91.9 Å²	91.9	48%	0.479	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-64.4	132.4	170.8	0	0	0	0	0	108.6	R443	R443-A445 PolarHBondContact O-N 2.96Å
446	T	48.2	Very low	36.8	Very low	40 Å²	40	91.6 Å²	91.6	25%	0.245	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-61.2	147.9	174.8	56	0	0	0	0	109.5	A444 Q448 R449 D689	A444-T446 PolarHBondContact O-N 2.91Å; T446-Q448 PolarHBondContact O-N 3.25Å; T446-R449 PolarHBondContact O-N 3Å; T446-D689 WeakPolarHBondContact CB-OD1 3.34Å; T446-D689 WeakPolarHBondContact CB-OD2 3.36Å; T446-D689 VanDerWaalsContact CG2-OD2 3.23Å; T446-D689 WeakPolarHBondContact CG2-OD2 3.14Å
447	L	46.4	Very low	37	Very low	3 Å²	3	93.4 Å²	93.4	2%	0.016	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-64.7	-27.7	-176.8	-85.9	-177.6	0	0	0	111.6	R449 R450 N596 D689 L690 N691	L447-R449 PolarHBondContact O-N 2.88Å; L447-R449 VanDerWaalsContact O-N 3.09Å; L447-R450 HydrophobicContact CD2-CB 4.45Å; L447-R450 HydrophobicContact CD2-CG 4.31Å; L447-R450 PolarHBondContact O-N 2.91Å; L447-N596 HydrophobicContact CD1-CB 4.45Å; L447-N596 VanDerWaalsContact CD1-CG 3.5Å; L447-N596 WeakPolarHBondContact CD1-ND2 3.38Å; L447-D689 PolarHBondContact N-OD1 3.37Å; L447-L690 HydrophobicContact CB-CB 4.12Å; L447-L690 HydrophobicContact CD1-CB 4.43Å; L447-N691 WeakPolarHBondContact CG-OD1 3.42Å; L447-N691 PolarHBondContact N-ND2 3.12Å
448	Q	42.8	Very low	36.8	Very low	51 Å²	51	91.3 Å²	91.3	24%	0.238	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-52.6	-25.9	168.3	-61	-179.5	-32.5	0	0	113.8	T446 E686 E688 I794	T446-Q448 PolarHBondContact O-N 3.25Å; Q448-E686 PolarHBondContact NE2-O 3.06Å; Q448-E688 PolarHBondContact NE2-O 2.95Å; Q448-I794 HydrophobicContact CB-CD1 4.31Å; Q448-I794 HydrophobicContact CG-CD1 4.44Å
449	R	47.6	Very low	36.9	Very low	196 Å²	196	96.8 Å²	96.8	74%	0.74	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-99.1	5	175.7	-61.7	-176.1	-162.4	-130.1	-0.7	114.3	T446 L447	T446-R449 PolarHBondContact O-N 3Å; L447-R449 PolarHBondContact O-N 2.88Å; L447-R449 VanDerWaalsContact O-N 3.09Å
450	R	50.2	Low	36.4	Very low	70 Å²	70	93.6 Å²	93.6	26%	0.264	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-17.7	166.6	-71.4	-161.1	-176	152.9	-1.3	112.9	L447 G452 Y594	L447-R450 HydrophobicContact CD2-CB 4.45Å; L447-R450 HydrophobicContact CD2-CG 4.31Å; L447-R450 PolarHBondContact O-N 2.91Å; R450-G452 PolarHBondContact O-N 3.34Å; R450-Y594 HydrophobicContact CB-CD2 3.96Å; R450-Y594 HydrophobicContact CB-CE2 4.24Å; R450-Y594 VanDerWaalsContact O-CE2 3.32Å; R450-Y594 WeakPolarHBondContact O-CE2 3.31Å
451	A	38.5	Very low	36.7	Very low	6 Å²	6	96.7 Å²	96.7	5%	0.05	49%	0.49	C	S	.	.			trans	-57.3	136.9	175.9	0	0	0	0	0	110.8	Q126 P592 I794	Q126-A451 VanDerWaalsContact CD-O 3.27Å; Q126-A451 PolarHBondContact NE2-O 3.44Å; A451-P592 WeakPolarHBondContact CA-O 3.34Å; A451-I794 HydrophobicContact CB-CB 4.38Å; A451-I794 HydrophobicContact CB-CD1 4.03Å; A451-I794 HydrophobicContact CB-CG1 4.1Å
452	G	41.8	Very low	37.2	Very low	4 Å²	4	95.6 Å²	95.6	4%	0.041	46%	0.463	C	S	.	.			trans	92.1	39	175.5	0	0	0	0	0	116.2	Q126 T130 R450	Q126-G452 PolarHBondContact NE2-O 3.11Å; Q126-G452 VanDerWaalsContact NE2-O 3.12Å; T130-G452 VanDerWaalsContact CG2-O 3.23Å; T130-G452 WeakPolarHBondContact CG2-O 3.32Å; T130-G452 PolarHBondContact OG1-O 3.4Å; T130-G452 VanDerWaalsContact OG1-O 3.06Å; R450-G452 PolarHBondContact O-N 3.34Å
453	M	38.9	Very low	37.8	Very low	56 Å²	56	89.6 Å²	89.6	28%	0.276	45%	0.445	S	S	.	.			trans	-99	118	157.6	-71.9	-174.2	54.7	0	0	109.4	E426 P592	E426-M453 WeakPolarHBondContact O-CE 3.43Å; M453-P592 WeakPolarHBondContact O-CD 3.2Å; M453-P592 WeakPolarHBondContact O-CG 3.25Å
454	S	34.7	Very low	38.8	Very low	26 Å²	26	82 Å²	82	18%	0.182	42%	0.42	C	S	.	.			trans	-84.3	149.1	169.6	176.6	0	0	0	0	109.4	M456	S454-M456 VanDerWaalsContact C-N 3.25Å; S454-M456 PolarHBondContact O-N 2.95Å
455	M	34.7	Very low	40.3	Very low	113 Å²	113	79.5 Å²	79.5	56%	0.557	39%	0.39	S	S	*	.			trans	-61.9	88.8	166.8	-82.8	-161	146.9	0	0	109.9	S505	M455-S505 WeakPolarHBondContact CE-OG 3.41Å
456	M	32.3	Very low	42	Very low	69 Å²	69	77.8 Å²	77.8	34%	0.34	37%	0.372	S	S	.	.			trans	-97.3	119.9	179.4	-70.2	174.6	73	0	0	109.4	L133 R137 S454 N458	L133-M456 HydrophobicContact CD2-CE 3.67Å; L133-M456 HydrophobicContact CD2-SD 4.4Å; L133-M456 HydrophobicContact CG-CE 4.12Å; R137-M456 VanDerWaalsContact NH2-CE 3.26Å; S454-M456 VanDerWaalsContact C-N 3.25Å; S454-M456 PolarHBondContact O-N 2.95Å; M456-N458 PolarHBondContact O-N 2.9Å
457	E	31.3	Very low	43.9	Very low	107 Å²	107	76 Å²	76	50%	0.5	36%	0.361	S	S	.	.			trans	-53.6	108.8	167.4	-75.8	-154.2	90.9	0	0	111.4	K462	E457-K462 IonicContact OE1-NZ 3.42Å; E457-K462 PolarHBondContact OE1-NZ 3.28Å
458	N	24.2	Very low	46	Very low	103 Å²	103	77.2 Å²	77.2	55%	0.551	37%	0.367	S	S	*	.			trans	-89.7	137.6	162.9	-77.2	-45.1	0	0	0	109.6	M456 F460 K462	M456-N458 PolarHBondContact O-N 2.9Å; N458-F460 HydrophobicContact CB-CD2 4.31Å; N458-F460 PolarHBondContact O-N 3.28Å; N458-K462 WeakPolarHBondContact O-CE 3.43Å; N458-K462 PolarHBondContact O-NZ 3.49Å; N458-K462 VanDerWaalsContact O-NZ 3.14Å
459	H	26.6	Very low	48.4	Very low	184 Å²	184	74.8 Å²	74.8	85%	0.852	36%	0.356	S	S	*	.	S	Bend	trans	-80.3	54.2	177.3	-63.9	-86.7	0	0	0	112.4
460	F	24.3	Very low	50.7	Low	158 Å²	158	65.6 Å²	65.6	69%	0.693	32%	0.322	S	S	*	.	S	Bend	trans	-88.9	155.3	150.7	-71.9	-78.2	0	0	0	107.9	N458 K462	N458-F460 HydrophobicContact CB-CD2 4.31Å; N458-F460 PolarHBondContact O-N 3.28Å; F460-K462 VanDerWaalsContact C-N 3.29Å; F460-K462 WeakPolarHBondContact O-CG 3.34Å; F460-K462 PolarHBondContact O-N 2.9Å
461	P	32.6	Very low	53	Low	132 Å²	132	62.4 Å²	62.4	86%	0.857	31%	0.309	S	S	*	.			trans	-65.2	91.1	177.4	26.5	-33.9	0	0	0	109.4
462	K	39.8	Very low	55.8	Low	57 Å²	57	62.1 Å²	62.1	25%	0.248	31%	0.307	C	S	.	.			trans	-70.4	138.1	-174.1	-53.5	-168.4	-168.5	75.6	0	109.4	E457 N458 F460 Q464	E457-K462 IonicContact OE1-NZ 3.42Å; E457-K462 PolarHBondContact OE1-NZ 3.28Å; N458-K462 WeakPolarHBondContact O-CE 3.43Å; N458-K462 PolarHBondContact O-NZ 3.49Å; N458-K462 VanDerWaalsContact O-NZ 3.14Å; F460-K462 VanDerWaalsContact C-N 3.29Å; F460-K462 WeakPolarHBondContact O-CG 3.34Å; F460-K462 PolarHBondContact O-N 2.9Å; K462-Q464 HydrophobicContact CB-CG 4.2Å; K462-Q464 PolarHBondContact O-N 3.13Å
463	Q	46.5	Very low	58.3	Low	109 Å²	109	62 Å²	62	51%	0.509	31%	0.305	S	S	.	.			trans	-67.4	96.6	139.4	-72.9	-179.8	-39.9	0	0	105.8	V419 R465	V419-Q463 VanDerWaalsContact CG2-OE1 3.24Å; Q463-R465 PolarHBondContact O-N 3.41Å
464	Q	56.4	Low	61	Low	87 Å²	87	59.3 Å²	59.3	41%	0.407	29%	0.292	S	S	.	.			trans	-60.9	124.2	176.7	-77.9	176.5	-22.4	0	0	108.6	F167 K462 H466	F167-Q464 HydrophobicContact CZ-CB 4.46Å; F167-Q464 HydrophobicContact CZ-CG 4.4Å; K462-Q464 HydrophobicContact CB-CG 4.2Å; K462-Q464 PolarHBondContact O-N 3.13Å; Q464-H466 VanDerWaalsContact CB-NE2 3.32Å; Q464-H466 WeakPolarHBondContact CB-NE2 3.01Å; Q464-H466 PolarHBondContact O-CE1 2.82Å; Q464-H466 PolarHBondContact O-N 2.94Å; Q464-H466 PolarHBondContact O-ND1 3.48Å; Q464-H466 PolarHBondContact OE1-NE2 3.1Å
465	R	67.8	Low	63.8	Low	40 Å²	40	58 Å²	58	15%	0.151	28%	0.284	C	S	.	.			trans	-79.6	102.5	167.8	-72.3	172	174.7	165.9	-9.3	107.6	D423 E426 Q463 F467 T501	D423-R465 IonicContact OD1-CZ 3.39Å; D423-R465 IonicContact OD1-NH1 3.52Å; D423-R465 PolarHBondContact OD1-NH1 3.23Å; D423-R465 IonicContact OD1-NH2 2.66Å; D423-R465 PolarHBondContact OD1-NH2 3.13Å; D423-R465 IonicContact OD2-NH2 3.96Å; E426-R465 IonicContact OE2-NH1 3.15Å; Q463-R465 PolarHBondContact O-N 3.41Å; R465-F467 VanDerWaalsContact C-N 3.27Å; R465-F467 PolarHBondContact O-N 3.38Å; R465-T501 VanDerWaalsContact CZ-O 3.25Å; R465-T501 PolarHBondContact NE-O 3.48Å; R465-T501 VanDerWaalsContact NE-O 3.1Å; R465-T501 PolarHBondContact NH2-O 3.2Å
466	H	76.5	Confident	66.4	Low	22 Å²	22	53 Å²	53	10%	0.102	26%	0.259	C	S	.	.			trans	-76	-14.4	-178.8	-59.4	112.9	0	0	0	113.3	F167 Q168 F331 Q464	F167-H466 CarbonylContact C-O 3.59Å; F167-H466 VanDerWaalsContact CA-O 3.24Å; F167-H466 WeakPolarHBondContact CA-O 3.49Å; Q168-H466 PolarHBondContact N-O 3.26Å; F331-H466 AromaticContact CE2-ND1 3.68Å; F331-H466 AromaticContact CZ-CE1 3.43Å; F331-H466 VanDerWaalsContact CZ-CE1 3.43Å; F331-H466 WeakPolarHBondContact CZ-CE1 3.33Å; F331-H466 AromaticContact CZ-ND1 3.37Å; F331-H466 WeakPolarHBondContact CZ-ND1 3.2Å; Q464-H466 VanDerWaalsContact CB-NE2 3.32Å; Q464-H466 WeakPolarHBondContact CB-NE2 3.01Å; Q464-H466 PolarHBondContact O-CE1 2.82Å; Q464-H466 PolarHBondContact O-N 2.94Å; Q464-H466 PolarHBondContact O-ND1 3.48Å; Q464-H466 PolarHBondContact OE1-NE2 3.1Å
467	F	87.3	Confident	69.2	Low	3 Å²	3	49.8 Å²	49.8	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.8	-177.2	-63.9	-97.4	0	0	0	111.7	Q168 W321 F322 V327 R465 R503 V504 S505	Q168-F467 HydrophobicContact CB-CD1 4.13Å; Q168-F467 HydrophobicContact CB-CE1 4.29Å; Q168-F467 CarbonylContact O-C 3.55Å; Q168-F467 WeakPolarHBondContact O-CA 3.3Å; Q168-F467 VanDerWaalsContact OE1-CE1 3.29Å; W321-F467 HydrophobicContact CH2-CB 3.78Å; W321-F467 AromaticContact CH2-CD1 3.77Å; W321-F467 HydrophobicContact CH2-CD1 3.77Å; W321-F467 HydrophobicContact CH2-CG 4.29Å; W321-F467 AromaticContact CZ2-CD1 3.77Å; W321-F467 HydrophobicContact CZ2-CD1 3.77Å; W321-F467 HydrophobicContact CZ3-CB 3.95Å; W321-F467 HydrophobicContact CZ3-CD1 4.16Å; F322-F467 AromaticContact CD2-CD2 4Å; F322-F467 HydrophobicContact CD2-CD2 4Å; F322-F467 HydrophobicContact CD2-CE1 4.34Å; F322-F467 AromaticContact CD2-CE2 3.83Å; F322-F467 HydrophobicContact CD2-CE2 3.83Å; F322-F467 HydrophobicContact CD2-CG 4.36Å; F322-F467 HydrophobicContact CD2-CZ 4.01Å; F322-F467 HydrophobicContact CE2-CD2 4.03Å; F322-F467 AromaticContact CE2-CE2 3.57Å; F322-F467 HydrophobicContact CE2-CE2 3.57Å; F322-F467 AromaticContact CE2-CZ 3.97Å; F322-F467 HydrophobicContact CE2-CZ 3.97Å; V327-F467 HydrophobicContact CB-CZ 4.2Å; V327-F467 HydrophobicContact CG1-CE2 4.27Å; V327-F467 HydrophobicContact CG1-CZ 4.1Å; R465-F467 VanDerWaalsContact C-N 3.27Å; R465-F467 PolarHBondContact O-N 3.38Å; F467-R503 WeakPolarHBondContact CB-O 3.46Å; F467-R503 PolarHBondContact N-O 3.06Å; F467-V504 HydrophobicContact CB-CB 4.34Å; F467-V504 HydrophobicContact CB-CG1 4.41Å; F467-V504 HydrophobicContact CB-CG2 3.93Å; F467-V504 CarbonylContact O-C 3.58Å; F467-V504 WeakPolarHBondContact O-CA 3.3Å; F467-S505 PolarHBondContact O-N 3.25Å
468	I	91.6	Very high	72	Confident	28 Å²	28	46.3 Å²	46.3	14%	0.144	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.7	172.8	-53.6	-179.3	0	0	0	109.4	Q168 E169 R170 K470 Q507	Q168-I468 PolarHBondContact O-N 3.25Å; E169-I468 WeakPolarHBondContact CA-O 3.45Å; E169-I468 HydrophobicContact CG-CB 4.16Å; E169-I468 HydrophobicContact CG-CD1 4.44Å; R170-I468 PolarHBondContact N-O 3.25Å; I468-K470 HydrophobicContact CG2-CG 4.27Å; I468-Q507 HydrophobicContact CG2-CG 4.15Å
469	A	94	Very high	75.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.2	173.4	0	0	0	0	0	110.4	F172 L318 W321 V504 S505 L506 Q507	F172-A469 HydrophobicContact CD2-CB 4.16Å; F172-A469 HydrophobicContact CE2-CB 3.93Å; L318-A469 HydrophobicContact CD2-CB 3.41Å; L318-A469 VanDerWaalsContact CD2-CB 3.41Å; W321-A469 HydrophobicContact CZ3-CB 4Å; A469-V504 HydrophobicContact CB-CG1 3.97Å; A469-S505 PolarHBondContact N-O 2.96Å; A469-L506 HydrophobicContact CB-CD2 3.97Å; A469-Q507 PolarHBondContact O-N 3.28Å
470	K	95.8	Very high	78.4	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	102.3	177	-55.1	-170.5	-167.8	168.4	0	108.7	E157 E169 R170 V171 F172 I468 Q507 Y509 V586	E157-K470 IonicContact OE1-NZ 2.8Å; E169-K470 WeakPolarHBondContact OE2-CE 3.4Å; E169-K470 IonicContact OE2-NZ 2.66Å; E169-K470 PolarHBondContact OE2-NZ 3.18Å; R170-K470 PolarHBondContact O-N 2.96Å; V171-K470 WeakPolarHBondContact CA-O 3.49Å; V171-K470 HydrophobicContact CG2-CB 4.28Å; F172-K470 PolarHBondContact N-O 3.5Å; I468-K470 HydrophobicContact CG2-CG 4.27Å; K470-Q507 CarbonylContact C-O 3.48Å; K470-Q507 HydrophobicContact CG-CB 4.48Å; K470-Y509 HydrophobicContact CB-CD2 4.27Å; K470-Y509 HydrophobicContact CB-CE2 3.88Å; K470-Y509 HydrophobicContact CD-CE2 4.3Å; K470-Y509 HydrophobicContact CG-CE2 4.19Å; K470-V586 HydrophobicContact CD-CB 3.78Å; K470-V586 HydrophobicContact CD-CG2 4.19Å; K470-V586 PolarHBondContact NZ-O 2.98Å; K470-V586 VanDerWaalsContact NZ-O 3.13Å
471	I	96.6	Very high	81.6	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	109.3	-176.6	-61.8	167.3	0	0	0	108.4	L174 I314 V473 L483 L506 Q507 F508 Y509	L174-I471 HydrophobicContact CD1-CG2 3.8Å; L174-I471 HydrophobicContact CG-CG2 4.43Å; I314-I471 HydrophobicContact CG2-CD1 3.89Å; I471-V473 HydrophobicContact CG2-CG1 4.03Å; I471-L483 HydrophobicContact CG2-CD1 4.22Å; I471-L506 HydrophobicContact CD1-CD2 4.2Å; I471-Q507 PolarHBondContact N-O 3.05Å; I471-F508 HydrophobicContact CB-CD1 3.97Å; I471-F508 HydrophobicContact CB-CE1 4.39Å; I471-F508 HydrophobicContact CD1-CD1 4.16Å; I471-F508 HydrophobicContact CD1-CE1 3.7Å; I471-F508 HydrophobicContact CG2-CD1 4.25Å; I471-F508 WeakPolarHBondContact O-CA 3.43Å; I471-Y509 PolarHBondContact O-N 3.18Å
472	V	97.4	Very high	84.4	Confident	0 Å²	0	20 Å²	20	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.6	179.9	-177	0	0	0	0	108.3	V171 F172 V173 L174 M474 Y509 I511 I582 V586	V171-V472 HydrophobicContact CG1-CG2 3.8Å; F172-V472 PolarHBondContact O-N 3.25Å; V173-V472 CarbonylContact C-O 3.21Å; V173-V472 WeakPolarHBondContact CA-O 3.42Å; V173-V472 HydrophobicContact CG2-CB 4.33Å; L174-V472 PolarHBondContact N-O 3.47Å; V472-M474 HydrophobicContact CG1-CG 4.46Å; V472-Y509 WeakPolarHBondContact CA-O 3.43Å; V472-Y509 HydrophobicContact CG2-CD2 4.42Å; V472-Y509 HydrophobicContact CG2-CG 4.42Å; V472-I511 HydrophobicContact CG1-CD1 3.51Å; V472-I511 HydrophobicContact CG1-CG1 3.88Å; V472-I582 HydrophobicContact CG2-CG2 4.27Å; V472-V586 HydrophobicContact CG2-CG1 3.66Å
473	V	95.6	Very high	87	Confident	1 Å²	1	17.4 Å²	17.4	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.7	179.2	-50.5	0	0	0	0	110.3	L174 W308 I471 V479 L483 Y509 Y510 I511	L174-V473 HydrophobicContact CB-CG1 4.38Å; L174-V473 HydrophobicContact CD1-CG1 4.48Å; L174-V473 WeakPolarHBondContact O-CA 3.33Å; W308-V473 HydrophobicContact CE3-CG1 4.44Å; W308-V473 HydrophobicContact CH2-CG1 4.33Å; W308-V473 HydrophobicContact CZ3-CB 4.25Å; W308-V473 HydrophobicContact CZ3-CG1 3.61Å; I471-V473 HydrophobicContact CG2-CG1 4.03Å; V473-V479 HydrophobicContact CB-CG1 4.11Å; V473-V479 HydrophobicContact CB-CG2 4.33Å; V473-V479 HydrophobicContact CG2-CG1 3.94Å; V473-L483 HydrophobicContact CG1-CB 4.38Å; V473-L483 HydrophobicContact CG1-CD1 4.09Å; V473-L483 HydrophobicContact CG1-CD2 3.86Å; V473-L483 HydrophobicContact CG1-CG 4.32Å; V473-L483 HydrophobicContact CG2-CD2 4.07Å; V473-Y509 PolarHBondContact N-O 3.31Å; V473-Y510 HydrophobicContact CG2-CD2 3.81Å; V473-Y510 WeakPolarHBondContact O-CD2 3.29Å; V473-I511 PolarHBondContact O-N 2.93Å
474	M	94.8	Very high	89.2	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.5	-176.8	-52.7	-177.3	75.6	0	0	110.2	V173 L174 A175 D176 F180 V472 I511 V513 I559 I578 I582	V173-M474 HydrophobicContact CG1-CG 3.92Å; V173-M474 HydrophobicContact CG1-SD 3.36Å; V173-M474 WeakPolarHBondContact CG1-SD 3.35Å; L174-M474 PolarHBondContact O-N 2.9Å; A175-M474 CarbonylContact C-O 3.58Å; A175-M474 WeakPolarHBondContact CA-O 3.25Å; A175-M474 HydrophobicContact CB-CB 4.39Å; D176-M474 PolarHBondContact N-O 3.44Å; F180-M474 HydrophobicContact CE2-CB 3.78Å; F180-M474 HydrophobicContact CZ-CB 3.74Å; F180-M474 HydrophobicContact CZ-CE 4.08Å; F180-M474 HydrophobicContact CZ-SD 4.43Å; V472-M474 HydrophobicContact CG1-CG 4.46Å; M474-I511 WeakPolarHBondContact CA-O 3.47Å; M474-I511 HydrophobicContact CE-CD1 4.22Å; M474-I511 HydrophobicContact CE-CG2 4.2Å; M474-I511 HydrophobicContact CG-CB 4.13Å; M474-I511 HydrophobicContact CG-CD1 4.23Å; M474-V513 HydrophobicContact CB-CG2 4.49Å; M474-I559 HydrophobicContact CE-CD1 3.51Å; M474-I578 HydrophobicContact CE-CG2 4.48Å; M474-I582 HydrophobicContact SD-CD1 4.44Å
475	G	92.8	Very high	90.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.6	-157.3	-177	0	0	0	0	0	112.1	Y510 I511 P512 V513	G475-Y510 WeakPolarHBondContact O-CE2 3.32Å; G475-Y510 PolarHBondContact O-OH 3.48Å; G475-I511 PolarHBondContact N-O 3.08Å; G475-P512 CarbonylContact O-C 3.53Å; G475-P512 WeakPolarHBondContact O-CA 3.41Å; G475-V513 CarbonylContact C-O 3.59Å; G475-V513 WeakPolarHBondContact CA-O 3.47Å; G475-V513 PolarHBondContact O-N 3.33Å
476	D	91	Very high	92	Very high	8 Å²	8	9.8 Å²	9.8	4%	0.043	5%	0.048	C	C	.	.	S	Bend	trans	-105.8	-168.8	179.2	68.7	22.9	0	0	0	111.6	V179 R478 V479 V513 S534	V179-D476 HydrophobicContact CG2-CB 4.37Å; D476-R478 PolarHBondContact O-N 2.64Å; D476-R478 VanDerWaalsContact OD1-CB 3.25Å; D476-R478 WeakPolarHBondContact OD1-CB 3.29Å; D476-R478 VanDerWaalsContact OD1-CG 3.27Å; D476-R478 WeakPolarHBondContact OD1-CG 3.4Å; D476-R478 IonicContact OD1-CZ 3.46Å; D476-R478 PolarHBondContact OD1-N 3Å; D476-R478 VanDerWaalsContact OD1-N 3.1Å; D476-R478 IonicContact OD1-NE 2.71Å; D476-R478 PolarHBondContact OD1-NE 3.12Å; D476-R478 IonicContact OD1-NH2 3.94Å; D476-R478 IonicContact OD2-CZ 3.98Å; D476-R478 VanDerWaalsContact OD2-CZ 3.25Å; D476-R478 IonicContact OD2-NE 3.82Å; D476-R478 PolarHBondContact OD2-NE 3.37Å; D476-R478 VanDerWaalsContact OD2-NE 3.11Å; D476-R478 IonicContact OD2-NH2 2.63Å; D476-R478 PolarHBondContact OD2-NH2 2.82Å; D476-V479 WeakPolarHBondContact O-CG1 3.29Å; D476-V479 PolarHBondContact O-N 2.87Å; D476-V513 PolarHBondContact N-O 2.91Å; D476-S534 WeakPolarHBondContact CB-O 3.22Å
477	D	89.6	Confident	92.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-54.3	-23.2	-175	-70.1	-22.7	0	0	0	114.1	V480 G481 S534 C535 T536 L537 T618 K734	D477-V480 PolarHBondContact O-N 3.11Å; D477-G481 PolarHBondContact O-N 2.88Å; D477-G481 VanDerWaalsContact O-N 3.08Å; D477-S534 VanDerWaalsContact CB-O 3.32Å; D477-S534 WeakPolarHBondContact CB-O 3.36Å; D477-S534 PolarHBondContact N-O 3.46Å; D477-S534 VanDerWaalsContact OD2-O 3.14Å; D477-C535 VanDerWaalsContact OD1-C 3.23Å; D477-C535 WeakPolarHBondContact OD1-CA 3.41Å; D477-T536 VanDerWaalsContact CG-N 3.29Å; D477-T536 PolarHBondContact OD1-N 3.01Å; D477-T536 PolarHBondContact OD1-OG1 3.1Å; D477-T536 WeakPolarHBondContact OD2-CB 3.42Å; D477-T536 PolarHBondContact OD2-N 3.39Å; D477-T536 PolarHBondContact OD2-OG1 2.92Å; D477-L537 PolarHBondContact OD1-N 3.49Å; D477-T618 HydrophobicContact CB-CG2 4.11Å; D477-K734 HydrophobicContact CB-CD 4.4Å; D477-K734 IonicContact OD2-NZ 3.67Å; D477-K734 PolarHBondContact OD2-NZ 2.86Å
478	R	90.9	Very high	92.8	Very high	35 Å²	35	11.6 Å²	11.6	13%	0.132	5%	0.054	C	C	.	.	H	α-helix	trans	-62.5	-42.5	175.9	-61.3	175.9	-73.5	-177.5	-1.9	111.9	E178 D476 V480 G481 R482 K734 D735	E178-R478 PolarHBondContact O-NH2 3.35Å; E178-R478 VanDerWaalsContact O-NH2 3.12Å; E178-R478 IonicContact OE2-CZ 3.66Å; E178-R478 IonicContact OE2-NE 3.1Å; E178-R478 IonicContact OE2-NH1 2.84Å; E178-R478 PolarHBondContact OE2-NH1 3.22Å; D476-R478 PolarHBondContact O-N 2.64Å; D476-R478 VanDerWaalsContact OD1-CB 3.25Å; D476-R478 WeakPolarHBondContact OD1-CB 3.29Å; D476-R478 VanDerWaalsContact OD1-CG 3.27Å; D476-R478 WeakPolarHBondContact OD1-CG 3.4Å; D476-R478 IonicContact OD1-CZ 3.46Å; D476-R478 PolarHBondContact OD1-N 3Å; D476-R478 VanDerWaalsContact OD1-N 3.1Å; D476-R478 IonicContact OD1-NE 2.71Å; D476-R478 PolarHBondContact OD1-NE 3.12Å; D476-R478 IonicContact OD1-NH2 3.94Å; D476-R478 IonicContact OD2-CZ 3.98Å; D476-R478 VanDerWaalsContact OD2-CZ 3.25Å; D476-R478 IonicContact OD2-NE 3.82Å; D476-R478 PolarHBondContact OD2-NE 3.37Å; D476-R478 VanDerWaalsContact OD2-NE 3.11Å; D476-R478 IonicContact OD2-NH2 2.63Å; D476-R478 PolarHBondContact OD2-NH2 2.82Å; R478-V480 VanDerWaalsContact C-N 3.32Å; R478-V480 PolarHBondContact O-N 3.1Å; R478-G481 PolarHBondContact O-N 2.9Å; R478-R482 WeakPolarHBondContact O-CG 3.38Å; R478-R482 PolarHBondContact O-N 3.06Å; R478-R482 VanDerWaalsContact O-N 3.07Å; R478-K734 HydrophobicContact CG-CB 4.46Å; R478-D735 HydrophobicContact CB-CB 4.35Å; R478-D735 HydrophobicContact CG-CB 4.24Å
479	V	92.1	Very high	92.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-67.7	-35.7	-178.1	88.9	0	0	0	0	111	D176 W308 V473 D476 R482 L483 Y510	D176-V479 HydrophobicContact CB-CB 4.18Å; D176-V479 HydrophobicContact CB-CG2 4.11Å; W308-V479 HydrophobicContact CE3-CG2 3.62Å; W308-V479 HydrophobicContact CZ3-CG2 4Å; V473-V479 HydrophobicContact CB-CG1 4.11Å; V473-V479 HydrophobicContact CB-CG2 4.33Å; V473-V479 HydrophobicContact CG2-CG1 3.94Å; D476-V479 WeakPolarHBondContact O-CG1 3.29Å; D476-V479 PolarHBondContact O-N 2.87Å; V479-R482 PolarHBondContact O-N 3.48Å; V479-L483 PolarHBondContact O-N 2.82Å; V479-Y510 HydrophobicContact CG1-CE2 4.12Å
480	V	92.1	Very high	92.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-76	-33.8	-179.9	-148.9	0	0	0	0	111.7	D477 R478 L483 A484 Y510 L537 L617 L786	D477-V480 PolarHBondContact O-N 3.11Å; R478-V480 VanDerWaalsContact C-N 3.32Å; R478-V480 PolarHBondContact O-N 3.1Å; V480-L483 WeakPolarHBondContact O-CB 3.35Å; V480-L483 PolarHBondContact O-N 2.88Å; V480-A484 PolarHBondContact O-N 3.28Å; V480-Y510 HydrophobicContact CG2-CD1 4.37Å; V480-Y510 HydrophobicContact CG2-CD2 3.84Å; V480-Y510 HydrophobicContact CG2-CE1 4.03Å; V480-Y510 HydrophobicContact CG2-CE2 3.51Å; V480-Y510 HydrophobicContact CG2-CG 4.26Å; V480-L537 HydrophobicContact CG1-CD1 4.09Å; V480-L617 HydrophobicContact CB-CD2 4.07Å; V480-L617 HydrophobicContact CG1-CD2 3.48Å; V480-L617 VanDerWaalsContact CG1-CD2 3.48Å; V480-L786 HydrophobicContact CG1-CD2 4.3Å
481	G	92	Very high	92	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.6	-43	168.2	0	0	0	0	0	112.7	D477 R478 A484 K485 D733	D477-G481 PolarHBondContact O-N 2.88Å; D477-G481 VanDerWaalsContact O-N 3.08Å; R478-G481 PolarHBondContact O-N 2.9Å; G481-A484 PolarHBondContact O-N 3.24Å; G481-K485 PolarHBondContact O-N 2.95Å; G481-K485 VanDerWaalsContact O-N 3.11Å; G481-D733 VanDerWaalsContact CA-CG 3.49Å; G481-D733 VanDerWaalsContact CA-OD2 3.31Å; G481-D733 WeakPolarHBondContact CA-OD2 3.37Å
482	R	91.8	Very high	91.5	Very high	24 Å²	24	16.9 Å²	16.9	9%	0.091	8%	0.076	C	C	.	.	H	α-helix	trans	-65.5	-36.5	173.5	-69.4	-172.7	-65.6	151	-6.3	112.4	D176 W308 R478 V479 K485 A486 D735 R737	D176-R482 IonicContact OD1-NH2 3.81Å; D176-R482 PolarHBondContact OD1-NH2 2.83Å; D176-R482 IonicContact OD2-CZ 3.22Å; D176-R482 IonicContact OD2-NH2 2.88Å; D176-R482 PolarHBondContact OD2-NH2 2.86Å; W308-R482 PolarHBondContact O-NH1 2.93Å; R478-R482 WeakPolarHBondContact O-CG 3.38Å; R478-R482 PolarHBondContact O-N 3.06Å; R478-R482 VanDerWaalsContact O-N 3.07Å; V479-R482 PolarHBondContact O-N 3.48Å; R482-K485 PolarHBondContact O-N 2.73Å; R482-A486 WeakPolarHBondContact O-CB 3.13Å; R482-A486 PolarHBondContact O-N 2.87Å; R482-D735 WeakPolarHBondContact CD-OD2 3.21Å; R482-R737 VanDerWaalsContact CZ-NH2 3.28Å
483	L	93.9	Very high	90.9	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-47.8	172	179.3	65.1	0	0	0	112.8	W308 I314 I471 V473 V479 V480 K485 A486 Y487 F508 L786	W308-L483 HydrophobicContact CH2-CB 3.8Å; W308-L483 HydrophobicContact CH2-CD1 3.83Å; W308-L483 HydrophobicContact CH2-CG 4.45Å; W308-L483 HydrophobicContact CZ3-CB 4.09Å; W308-L483 HydrophobicContact CZ3-CD1 4.47Å; I314-L483 HydrophobicContact CD1-CD1 4.29Å; I471-L483 HydrophobicContact CG2-CD1 4.22Å; V473-L483 HydrophobicContact CG1-CB 4.38Å; V473-L483 HydrophobicContact CG1-CD1 4.09Å; V473-L483 HydrophobicContact CG1-CD2 3.86Å; V473-L483 HydrophobicContact CG1-CG 4.32Å; V473-L483 HydrophobicContact CG2-CD2 4.07Å; V479-L483 PolarHBondContact O-N 2.82Å; V480-L483 WeakPolarHBondContact O-CB 3.35Å; V480-L483 PolarHBondContact O-N 2.88Å; L483-K485 VanDerWaalsContact C-N 3.26Å; L483-K485 PolarHBondContact O-N 2.9Å; L483-A486 PolarHBondContact O-N 3.25Å; L483-Y487 WeakPolarHBondContact O-CB 3.44Å; L483-Y487 PolarHBondContact O-N 3.45Å; L483-F508 HydrophobicContact CD1-CD1 3.73Å; L483-F508 HydrophobicContact CD1-CE1 3.85Å; L483-F508 HydrophobicContact CD2-CB 4.26Å; L483-F508 HydrophobicContact CD2-CD1 4Å; L483-F508 HydrophobicContact CD2-CG 4.36Å; L483-F508 HydrophobicContact CG-CD1 4.29Å; L483-L786 HydrophobicContact CD2-CD1 4.33Å; L483-L786 HydrophobicContact CD2-CD2 4.11Å; L483-L786 HydrophobicContact CG-CD1 4.34Å; L483-L786 HydrophobicContact CG-CD2 4.38Å
484	A	92.5	Very high	90.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.2	-40.7	176.5	0	0	0	0	0	111.9	V480 G481 Y488 I597 L617 L786	V480-A484 PolarHBondContact O-N 3.28Å; G481-A484 PolarHBondContact O-N 3.24Å; A484-Y488 WeakPolarHBondContact O-CB 3.17Å; A484-Y488 PolarHBondContact O-N 2.96Å; A484-I597 HydrophobicContact CB-CD1 4.13Å; A484-I597 HydrophobicContact CB-CG1 4.11Å; A484-I597 HydrophobicContact CB-CG2 4.45Å; A484-L617 HydrophobicContact CB-CB 3.85Å; A484-L617 HydrophobicContact CB-CD1 4.23Å; A484-L617 HydrophobicContact CB-CD2 4.3Å; A484-L617 HydrophobicContact CB-CG 4.36Å; A484-L786 HydrophobicContact CB-CD2 4.46Å
485	K	91.3	Very high	89.7	Confident	50 Å²	50	22.2 Å²	22.2	22%	0.217	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-48.5	175.7	-173.4	167.5	-176.8	162.3	0	112.7	G481 R482 L483 Y488 F489 D614 V615	G481-K485 PolarHBondContact O-N 2.95Å; G481-K485 VanDerWaalsContact O-N 3.11Å; R482-K485 PolarHBondContact O-N 2.73Å; L483-K485 VanDerWaalsContact C-N 3.26Å; L483-K485 PolarHBondContact O-N 2.9Å; K485-Y488 PolarHBondContact O-N 3.07Å; K485-F489 HydrophobicContact CD-CE2 4.34Å; K485-F489 HydrophobicContact CG-CD2 3.93Å; K485-F489 HydrophobicContact CG-CE2 3.64Å; K485-F489 WeakPolarHBondContact O-CD2 3.2Å; K485-F489 PolarHBondContact O-N 3.46Å; K485-D614 VanDerWaalsContact CD-OD1 3.3Å; K485-D614 WeakPolarHBondContact CD-OD1 3.39Å; K485-D614 WeakPolarHBondContact CE-OD1 3.28Å; K485-D614 IonicContact NZ-OD1 3.14Å; K485-D614 PolarHBondContact NZ-OD1 3.4Å; K485-D614 IonicContact NZ-OD2 2.7Å; K485-D614 PolarHBondContact NZ-OD2 3.42Å; K485-V615 HydrophobicContact CB-CG2 4.02Å; K485-V615 HydrophobicContact CG-CG2 4.29Å
486	A	92.1	Very high	88.9	Confident	27 Å²	27	29.1 Å²	29.1	22%	0.223	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-43.2	177.5	0	0	0	0	0	112	W308 I314 R482 L483 F489 Y490	W308-A486 HydrophobicContact CZ2-CB 3.95Å; I314-A486 HydrophobicContact CD1-CB 3.97Å; R482-A486 WeakPolarHBondContact O-CB 3.13Å; R482-A486 PolarHBondContact O-N 2.87Å; L483-A486 PolarHBondContact O-N 3.25Å; A486-F489 PolarHBondContact O-N 3.38Å; A486-Y490 WeakPolarHBondContact O-CB 3.49Å; A486-Y490 PolarHBondContact O-N 2.88Å
487	Y	91.6	Very high	88.3	Confident	38 Å²	38	35.2 Å²	35.2	15%	0.149	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-40.9	176.5	179.2	-126.7	0	0	0	112.5	L483 F489 Y490 R491 L506 F508 I597 L784 L786	L483-Y487 WeakPolarHBondContact O-CB 3.44Å; L483-Y487 PolarHBondContact O-N 3.45Å; Y487-F489 PolarHBondContact O-N 3.22Å; Y487-Y490 HydrophobicContact CD2-CD1 4.36Å; Y487-Y490 HydrophobicContact CE2-CD1 4.46Å; Y487-Y490 WeakPolarHBondContact O-CB 3.41Å; Y487-Y490 PolarHBondContact O-N 3.35Å; Y487-R491 HydrophobicContact CD2-CG 4.17Å; Y487-R491 HydrophobicContact CE1-CG 4.43Å; Y487-R491 HydrophobicContact CE2-CG 3.74Å; Y487-R491 WeakPolarHBondContact O-CG 3.33Å; Y487-R491 PolarHBondContact O-N 3.43Å; Y487-L506 HydrophobicContact CD2-CD1 4.33Å; Y487-L506 HydrophobicContact CE2-CD1 4.33Å; Y487-F508 HydrophobicContact CD2-CE1 4.49Å; Y487-F508 HydrophobicContact CD2-CE2 4.07Å; Y487-F508 AromaticContact CD2-CZ 3.51Å; Y487-F508 HydrophobicContact CD2-CZ 3.51Å; Y487-F508 HydrophobicContact CE2-CE2 4.05Å; Y487-F508 AromaticContact CE2-CZ 3.86Å; Y487-F508 HydrophobicContact CE2-CZ 3.86Å; Y487-F508 HydrophobicContact CG-CE2 4.35Å; Y487-F508 AromaticContact CG-CZ 3.91Å; Y487-F508 HydrophobicContact CG-CZ 3.91Å; Y487-I597 HydrophobicContact CD1-CD1 4.04Å; Y487-L784 HydrophobicContact CD1-CD2 4.4Å; Y487-L784 HydrophobicContact CD1-CG 4.49Å; Y487-L784 HydrophobicContact CE1-CD1 3.68Å; Y487-L784 HydrophobicContact CE1-CD2 4.31Å; Y487-L784 HydrophobicContact CE1-CG 4.02Å; Y487-L786 HydrophobicContact CD1-CD1 3.86Å; Y487-L786 HydrophobicContact CE1-CD1 4.49Å; Y487-L786 HydrophobicContact CG-CD1 4.33Å
488	Y	90	Very high	87.6	Confident	25 Å²	25	36.6 Å²	36.6	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-44	171.8	169.7	-100.4	0	0	0	112.1	A484 K485 R491 K492 V615 C751 P754 L784	A484-Y488 WeakPolarHBondContact O-CB 3.17Å; A484-Y488 PolarHBondContact O-N 2.96Å; K485-Y488 PolarHBondContact O-N 3.07Å; Y488-R491 PolarHBondContact O-N 3.1Å; Y488-K492 HydrophobicContact CE1-CD 3.78Å; Y488-K492 VanDerWaalsContact O-CB 3.24Å; Y488-K492 WeakPolarHBondContact O-CB 3.4Å; Y488-K492 PolarHBondContact O-N 3.33Å; Y488-K492 PolarHBondContact OH-NZ 2.89Å; Y488-K492 VanDerWaalsContact OH-NZ 3.13Å; Y488-V615 HydrophobicContact CD1-CG1 4.08Å; Y488-V615 HydrophobicContact CD1-CG2 4.24Å; Y488-V615 HydrophobicContact CD2-CG1 4.12Å; Y488-V615 HydrophobicContact CE1-CG1 4.35Å; Y488-V615 HydrophobicContact CE2-CG1 4.39Å; Y488-V615 HydrophobicContact CG-CG1 3.96Å; Y488-V615 HydrophobicContact CG-CG2 4.2Å; Y488-C751 VanDerWaalsContact CD2-SG 3.54Å; Y488-P754 HydrophobicContact CD2-CG 4.17Å; Y488-P754 HydrophobicContact CE2-CG 4Å; Y488-L784 HydrophobicContact CD2-CD2 4.21Å
489	F	88.7	Confident	87.1	Confident	73 Å²	73	36.7 Å²	36.7	32%	0.32	16%	0.155	S	C	.	.	H	α-helix	trans	-67.4	-39.9	176.7	-77.8	-62.5	0	0	0	113.2	M353 K485 A486 Y487 K492 R493	M353-F489 HydrophobicContact CE-CE1 4.44Å; M353-F489 HydrophobicContact SD-CD1 4.49Å; M353-F489 HydrophobicContact SD-CE1 3.71Å; M353-F489 HydrophobicContact SD-CZ 4.4Å; K485-F489 HydrophobicContact CD-CE2 4.34Å; K485-F489 HydrophobicContact CG-CD2 3.93Å; K485-F489 HydrophobicContact CG-CE2 3.64Å; K485-F489 WeakPolarHBondContact O-CD2 3.2Å; K485-F489 PolarHBondContact O-N 3.46Å; A486-F489 PolarHBondContact O-N 3.38Å; Y487-F489 PolarHBondContact O-N 3.22Å; F489-K492 HydrophobicContact CD1-CD 4.31Å; F489-K492 PolarHBondContact O-N 3.35Å; F489-R493 WeakPolarHBondContact O-CB 3.32Å; F489-R493 PolarHBondContact O-N 2.88Å
490	Y	88.5	Confident	86.6	Confident	10 Å²	10	36.8 Å²	36.8	4%	0.039	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-53.9	171.2	174.9	-91.9	0	0	0	110.8	W315 L318 A486 Y487 K492 R493 E494 L500 T501 L506	W315-Y490 HydrophobicContact CB-CD2 4.22Å; W315-Y490 AromaticContact CD1-CD2 3.75Å; W315-Y490 AromaticContact CD1-CE2 3.96Å; W315-Y490 HydrophobicContact CG-CD2 4.39Å; L318-Y490 HydrophobicContact CD1-CE2 4.2Å; A486-Y490 WeakPolarHBondContact O-CB 3.49Å; A486-Y490 PolarHBondContact O-N 2.88Å; Y487-Y490 HydrophobicContact CD2-CD1 4.36Å; Y487-Y490 HydrophobicContact CE2-CD1 4.46Å; Y487-Y490 WeakPolarHBondContact O-CB 3.41Å; Y487-Y490 PolarHBondContact O-N 3.35Å; Y490-K492 VanDerWaalsContact C-N 3.33Å; Y490-K492 PolarHBondContact O-N 2.97Å; Y490-R493 PolarHBondContact O-N 3.07Å; Y490-E494 HydrophobicContact CE1-CG 4.26Å; Y490-E494 HydrophobicContact CE2-CG 4.26Å; Y490-E494 WeakPolarHBondContact O-CB 3.37Å; Y490-E494 WeakPolarHBondContact O-CG 3.14Å; Y490-E494 PolarHBondContact O-N 2.81Å; Y490-L500 HydrophobicContact CE2-CB 3.96Å; Y490-L500 HydrophobicContact CE2-CD1 3.88Å; Y490-L500 VanDerWaalsContact OH-CB 3.31Å; Y490-L500 WeakPolarHBondContact OH-CB 3.27Å; Y490-T501 HydrophobicContact CE1-CG2 3.69Å; Y490-L506 HydrophobicContact CD1-CD1 3.92Å; Y490-L506 HydrophobicContact CE1-CD1 3.59Å; Y490-L506 HydrophobicContact CE1-CG 4.42Å; Y490-L506 HydrophobicContact CE2-CD1 4.38Å; Y490-L506 HydrophobicContact CG-CD1 4.45Å
491	R	86.9	Confident	86	Confident	13 Å²	13	37 Å²	37	5%	0.049	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-39.6	176.2	-68.4	-68.3	-63.7	167.5	-5.2	112.4	D423 Y487 Y488 R493 A495 D753 P754 L784	D423-R491 IonicContact OD2-CZ 3.56Å; D423-R491 IonicContact OD2-NH1 3.94Å; D423-R491 PolarHBondContact OD2-NH1 3.33Å; Y487-R491 HydrophobicContact CD2-CG 4.17Å; Y487-R491 HydrophobicContact CE1-CG 4.43Å; Y487-R491 HydrophobicContact CE2-CG 3.74Å; Y487-R491 WeakPolarHBondContact O-CG 3.33Å; Y487-R491 PolarHBondContact O-N 3.43Å; Y488-R491 PolarHBondContact O-N 3.1Å; R491-R493 PolarHBondContact O-N 3.05Å; R491-A495 WeakPolarHBondContact O-CB 3.44Å; R491-A495 PolarHBondContact O-N 3.48Å; R491-D753 IonicContact CZ-OD2 3.99Å; R491-D753 IonicContact NE-OD2 2.65Å; R491-D753 PolarHBondContact NE-OD2 3.24Å; R491-D753 IonicContact NH2-OD1 2.66Å; R491-D753 PolarHBondContact NH2-OD1 2.88Å; R491-D753 IonicContact NH2-OD2 2.69Å; R491-D753 PolarHBondContact NH2-OD2 3.31Å; R491-P754 HydrophobicContact CB-CG 3.93Å; R491-L784 HydrophobicContact CB-CD2 4.36Å; R491-L784 HydrophobicContact CG-CD1 3.97Å; R491-L784 HydrophobicContact CG-CD2 4.19Å
492	K	85.8	Confident	85.1	Confident	49 Å²	49	39.1 Å²	39.1	21%	0.213	17%	0.168	C	C	.	.	H	α-helix	trans	-67.5	-31.5	179.1	-171.8	175	-171.5	164.9	0	113.3	Y488 F489 Y490 P754	Y488-K492 HydrophobicContact CE1-CD 3.78Å; Y488-K492 VanDerWaalsContact O-CB 3.24Å; Y488-K492 WeakPolarHBondContact O-CB 3.4Å; Y488-K492 PolarHBondContact O-N 3.33Å; Y488-K492 PolarHBondContact OH-NZ 2.89Å; Y488-K492 VanDerWaalsContact OH-NZ 3.13Å; F489-K492 HydrophobicContact CD1-CD 4.31Å; F489-K492 PolarHBondContact O-N 3.35Å; Y490-K492 VanDerWaalsContact C-N 3.33Å; Y490-K492 PolarHBondContact O-N 2.97Å; K492-P754 HydrophobicContact CB-CB 4.21Å; K492-P754 HydrophobicContact CB-CG 4.2Å
493	R	85.2	Confident	84.5	Confident	99 Å²	99	40.8 Å²	40.8	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-74.4	-53.7	174.4	-174.7	173.2	-175.7	160.6	3.4	110.7	D313 W315 F489 Y490 R491 A495 R496 R497	D313-R493 IonicContact OD2-NH1 2.71Å; D313-R493 PolarHBondContact OD2-NH1 3.24Å; W315-R493 VanDerWaalsContact CE3-NH1 3.29Å; W315-R493 VanDerWaalsContact CE3-NH2 3.31Å; F489-R493 WeakPolarHBondContact O-CB 3.32Å; F489-R493 PolarHBondContact O-N 2.88Å; Y490-R493 PolarHBondContact O-N 3.07Å; R491-R493 PolarHBondContact O-N 3.05Å; R493-A495 VanDerWaalsContact C-N 3.34Å; R493-A495 PolarHBondContact O-N 3.27Å; R493-R496 PolarHBondContact O-N 3.02Å; R493-R496 VanDerWaalsContact O-N 3.09Å; R493-R497 PolarHBondContact O-N 3.15Å
494	E	83.4	Confident	84.1	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-33.4	-177.6	-68.6	-72.6	133.9	0	0	112.7	W315 Y490 R496 R497 L498 F499 L500 T501	W315-E494 PolarHBondContact NE1-OE1 2.73Å; Y490-E494 HydrophobicContact CE1-CG 4.26Å; Y490-E494 HydrophobicContact CE2-CG 4.26Å; Y490-E494 WeakPolarHBondContact O-CB 3.37Å; Y490-E494 WeakPolarHBondContact O-CG 3.14Å; Y490-E494 PolarHBondContact O-N 2.81Å; E494-R496 PolarHBondContact O-N 3.16Å; E494-R496 VanDerWaalsContact O-N 3.08Å; E494-R497 WeakPolarHBondContact CA-O 2.93Å; E494-R497 CarbonylContact O-C 3.59Å; E494-R497 PolarHBondContact O-N 2.95Å; E494-L498 PolarHBondContact O-N 3.25Å; E494-F499 PolarHBondContact OE2-N 3.14Å; E494-L500 VanDerWaalsContact CD-N 3.35Å; E494-L500 PolarHBondContact OE1-N 2.7Å; E494-L500 PolarHBondContact OE2-N 3.34Å; E494-T501 HydrophobicContact CB-CG2 3.7Å; E494-T501 HydrophobicContact CG-CG2 3.83Å; E494-T501 PolarHBondContact OE2-N 3.12Å; E494-T501 PolarHBondContact OE2-OG1 2.88Å
495	A	81.7	Confident	83.9	Confident	11 Å²	11	41.1 Å²	41.1	9%	0.091	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.8	173.4	0	0	0	0	0	114.7	L420 R491 R493 P754 V758	L420-A495 HydrophobicContact CD1-CB 4.49Å; R491-A495 WeakPolarHBondContact O-CB 3.44Å; R491-A495 PolarHBondContact O-N 3.48Å; R493-A495 VanDerWaalsContact C-N 3.34Å; R493-A495 PolarHBondContact O-N 3.27Å; A495-P754 HydrophobicContact CB-CB 4.01Å; A495-V758 HydrophobicContact CB-CG2 4.3Å
496	R	76.7	Confident	83.9	Confident	146 Å²	146	40.2 Å²	40.2	55%	0.551	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-35.3	177.1	-64.2	177.6	175.5	-169.4	-3.2	112.7	R493 E494	R493-R496 PolarHBondContact O-N 3.02Å; R493-R496 VanDerWaalsContact O-N 3.09Å; E494-R496 PolarHBondContact O-N 3.16Å; E494-R496 VanDerWaalsContact O-N 3.08Å
497	R	77.6	Confident	84	Confident	135 Å²	135	39.9 Å²	39.9	51%	0.509	17%	0.167	S	C	.	.	S	Bend	trans	-143.7	104.9	174.8	-178.2	-178.6	-174.3	178.5	3.9	107.2	R493 E494 F499	R493-R497 PolarHBondContact O-N 3.15Å; E494-R497 WeakPolarHBondContact CA-O 2.93Å; E494-R497 CarbonylContact O-C 3.59Å; E494-R497 PolarHBondContact O-N 2.95Å; R497-F499 PolarHBondContact O-N 2.79Å
498	L	75.4	Confident	84.2	Confident	29 Å²	29	38.3 Å²	38.3	15%	0.152	16%	0.161	C	C	.	.			trans	-63.4	128.2	173.5	-65.6	176.6	0	0	0	109	D416 V419 L420 E494 T501 M502	D416-L498 HydrophobicContact CB-CD1 3.66Å; V419-L498 HydrophobicContact CB-CD1 4.49Å; L420-L498 HydrophobicContact CD1-CD2 4.19Å; E494-L498 PolarHBondContact O-N 3.25Å; L498-T501 VanDerWaalsContact CD2-OG1 3.27Å; L498-T501 WeakPolarHBondContact CD2-OG1 3.22Å; L498-M502 HydrophobicContact CB-CG 3.89Å; L498-M502 HydrophobicContact CB-SD 3.78Å; L498-M502 HydrophobicContact CD1-CG 4.26Å; L498-M502 HydrophobicContact CD1-SD 3.96Å
499	F	80.1	Confident	84.6	Confident	38 Å²	38	37.1 Å²	37.1	17%	0.167	16%	0.157	C	C	.	.	S	Bend	trans	-147.3	-62.8	174.8	177.1	-117.8	0	0	0	110.7	W315 F322 E494 R497	W315-F499 HydrophobicContact CH2-CD1 4.39Å; W315-F499 AromaticContact CZ2-CD1 3.78Å; W315-F499 HydrophobicContact CZ2-CD1 3.78Å; W315-F499 HydrophobicContact CZ2-CE1 4.38Å; F322-F499 HydrophobicContact CD1-CZ 4.17Å; E494-F499 PolarHBondContact OE2-N 3.14Å; R497-F499 PolarHBondContact O-N 2.79Å
500	L	82	Confident	84.9	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	14%	0.142	C	C	.	.	S	Bend	trans	-80.9	-38.4	178.8	-64.7	-177.4	0	0	0	112.5	W315 L318 F322 Y490 E494 M502 R503 V504	W315-L500 HydrophobicContact CD2-CD1 4.2Å; W315-L500 HydrophobicContact CG-CD1 3.97Å; L318-L500 HydrophobicContact CB-CD1 3.75Å; F322-L500 HydrophobicContact CB-CD2 4.38Å; Y490-L500 HydrophobicContact CE2-CB 3.96Å; Y490-L500 HydrophobicContact CE2-CD1 3.88Å; Y490-L500 VanDerWaalsContact OH-CB 3.31Å; Y490-L500 WeakPolarHBondContact OH-CB 3.27Å; E494-L500 VanDerWaalsContact CD-N 3.35Å; E494-L500 PolarHBondContact OE1-N 2.7Å; E494-L500 PolarHBondContact OE2-N 3.34Å; L500-M502 PolarHBondContact O-N 2.57Å; L500-M502 VanDerWaalsContact O-N 3.09Å; L500-R503 PolarHBondContact O-N 3.47Å; L500-V504 HydrophobicContact CD2-CG2 4.23Å; L500-V504 PolarHBondContact O-N 3.32Å
501	T	78.6	Confident	85.3	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.031	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.5	-179.2	50.7	0	0	0	0	113.5	R465 Y490 E494 L498	R465-T501 VanDerWaalsContact CZ-O 3.25Å; R465-T501 PolarHBondContact NE-O 3.48Å; R465-T501 VanDerWaalsContact NE-O 3.1Å; R465-T501 PolarHBondContact NH2-O 3.2Å; Y490-T501 HydrophobicContact CE1-CG2 3.69Å; E494-T501 HydrophobicContact CB-CG2 3.7Å; E494-T501 HydrophobicContact CG-CG2 3.83Å; E494-T501 PolarHBondContact OE2-N 3.12Å; E494-T501 PolarHBondContact OE2-OG1 2.88Å; L498-T501 VanDerWaalsContact CD2-OG1 3.27Å; L498-T501 WeakPolarHBondContact CD2-OG1 3.22Å
502	M	74.1	Confident	85.6	Confident	45 Å²	45	32.8 Å²	32.8	22%	0.222	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-21.4	174.3	-61.2	-166.8	61.8	0	0	113.5	V419 L498 L500	V419-M502 HydrophobicContact CG1-CE 4.22Å; V419-M502 HydrophobicContact CG1-CG 3.96Å; V419-M502 HydrophobicContact CG2-CE 4.06Å; L498-M502 HydrophobicContact CB-CG 3.89Å; L498-M502 HydrophobicContact CB-SD 3.78Å; L498-M502 HydrophobicContact CD1-CG 4.26Å; L498-M502 HydrophobicContact CD1-SD 3.96Å; L500-M502 PolarHBondContact O-N 2.57Å; L500-M502 VanDerWaalsContact O-N 3.09Å
503	R	78.4	Confident	85.8	Confident	59 Å²	59	30.5 Å²	30.5	22%	0.223	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-32.6	-166.4	-59.7	-174.5	174.3	-178.3	-6	112.9	F322 F467 L500	F322-R503 HydrophobicContact CD2-CB 4.33Å; F322-R503 HydrophobicContact CE2-CB 4.07Å; F322-R503 HydrophobicContact CE2-CG 4.37Å; F322-R503 VanDerWaalsContact CZ-CD 3.42Å; F467-R503 WeakPolarHBondContact CB-O 3.46Å; F467-R503 PolarHBondContact N-O 3.06Å; L500-R503 PolarHBondContact O-N 3.47Å
504	V	85.1	Confident	85.6	Confident	3 Å²	3	28 Å²	28	2%	0.018	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.7	-174.3	-172.9	0	0	0	0	110.9	W321 F467 A469 L500 L506	W321-V504 HydrophobicContact CZ3-CG1 4.09Å; F467-V504 HydrophobicContact CB-CB 4.34Å; F467-V504 HydrophobicContact CB-CG1 4.41Å; F467-V504 HydrophobicContact CB-CG2 3.93Å; F467-V504 CarbonylContact O-C 3.58Å; F467-V504 WeakPolarHBondContact O-CA 3.3Å; A469-V504 HydrophobicContact CB-CG1 3.97Å; L500-V504 HydrophobicContact CD2-CG2 4.23Å; L500-V504 PolarHBondContact O-N 3.32Å; V504-L506 HydrophobicContact CG1-CD2 4.04Å
505	S	88.1	Confident	85	Confident	6 Å²	6	30.7 Å²	30.7	4%	0.042	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.4	164.5	-178.4	0	0	0	0	110.4	M455 F467 A469	M455-S505 WeakPolarHBondContact CE-OG 3.41Å; F467-S505 PolarHBondContact O-N 3.25Å; A469-S505 PolarHBondContact N-O 2.96Å
506	L	91.3	Very high	84	Confident	31 Å²	31	33.7 Å²	33.7	16%	0.162	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.2	175.9	-57	-173.2	0	0	0	110.5	L318 A469 I471 Y487 Y490 V504 F508	L318-L506 HydrophobicContact CD1-CD2 3.62Å; A469-L506 HydrophobicContact CB-CD2 3.97Å; I471-L506 HydrophobicContact CD1-CD2 4.2Å; Y487-L506 HydrophobicContact CD2-CD1 4.33Å; Y487-L506 HydrophobicContact CE2-CD1 4.33Å; Y490-L506 HydrophobicContact CD1-CD1 3.92Å; Y490-L506 HydrophobicContact CE1-CD1 3.59Å; Y490-L506 HydrophobicContact CE1-CG 4.42Å; Y490-L506 HydrophobicContact CE2-CD1 4.38Å; Y490-L506 HydrophobicContact CG-CD1 4.45Å; V504-L506 HydrophobicContact CG1-CD2 4.04Å; L506-F508 HydrophobicContact CB-CE2 4.16Å; L506-F508 HydrophobicContact CB-CZ 3.89Å; L506-F508 HydrophobicContact CD1-CE1 4.46Å; L506-F508 HydrophobicContact CD1-CZ 3.86Å
507	Q	94.1	Very high	82.9	Confident	19 Å²	19	35.5 Å²	35.5	9%	0.089	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.1	169.5	-63.3	-176.2	-8.3	0	0	109	I468 A469 K470 I471 Y509	I468-Q507 HydrophobicContact CG2-CG 4.15Å; A469-Q507 PolarHBondContact O-N 3.28Å; K470-Q507 CarbonylContact C-O 3.48Å; K470-Q507 HydrophobicContact CG-CB 4.48Å; I471-Q507 PolarHBondContact N-O 3.05Å; Q507-Y509 HydrophobicContact CB-CD2 4.46Å; Q507-Y509 HydrophobicContact CB-CE2 3.61Å; Q507-Y509 PolarHBondContact OE1-OH 3.49Å
508	F	96.3	Very high	80.9	Confident	5 Å²	5	36.5 Å²	36.5	2%	0.022	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.3	-178.5	-51.1	-80.7	0	0	0	111.9	I471 L483 Y487 L506 L786 P787 N789	I471-F508 HydrophobicContact CB-CD1 3.97Å; I471-F508 HydrophobicContact CB-CE1 4.39Å; I471-F508 HydrophobicContact CD1-CD1 4.16Å; I471-F508 HydrophobicContact CD1-CE1 3.7Å; I471-F508 HydrophobicContact CG2-CD1 4.25Å; I471-F508 WeakPolarHBondContact O-CA 3.43Å; L483-F508 HydrophobicContact CD1-CD1 3.73Å; L483-F508 HydrophobicContact CD1-CE1 3.85Å; L483-F508 HydrophobicContact CD2-CB 4.26Å; L483-F508 HydrophobicContact CD2-CD1 4Å; L483-F508 HydrophobicContact CD2-CG 4.36Å; L483-F508 HydrophobicContact CG-CD1 4.29Å; Y487-F508 HydrophobicContact CD2-CE1 4.49Å; Y487-F508 HydrophobicContact CD2-CE2 4.07Å; Y487-F508 AromaticContact CD2-CZ 3.51Å; Y487-F508 HydrophobicContact CD2-CZ 3.51Å; Y487-F508 HydrophobicContact CE2-CE2 4.05Å; Y487-F508 AromaticContact CE2-CZ 3.86Å; Y487-F508 HydrophobicContact CE2-CZ 3.86Å; Y487-F508 HydrophobicContact CG-CE2 4.35Å; Y487-F508 AromaticContact CG-CZ 3.91Å; Y487-F508 HydrophobicContact CG-CZ 3.91Å; L506-F508 HydrophobicContact CB-CE2 4.16Å; L506-F508 HydrophobicContact CB-CZ 3.89Å; L506-F508 HydrophobicContact CD1-CE1 4.46Å; L506-F508 HydrophobicContact CD1-CZ 3.86Å; F508-L786 HydrophobicContact CD2-CD1 3.93Å; F508-L786 HydrophobicContact CE2-CD1 4.1Å; F508-L786 HydrophobicContact CG-CD1 4.18Å; F508-L786 HydrophobicContact CZ-CD1 4.49Å; F508-P787 WeakPolarHBondContact CB-O 3.48Å; F508-P787 HydrophobicContact CD2-CG 4.19Å; F508-P787 WeakPolarHBondContact CD2-O 3.42Å; F508-N789 PolarHBondContact O-N 2.88Å
509	Y	97.6	Very high	79	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.7	-178	-63.7	-92.9	0	0	0	108.6	K470 I471 V472 V473 Q507 Y585 V586 G589 N789	K470-Y509 HydrophobicContact CB-CD2 4.27Å; K470-Y509 HydrophobicContact CB-CE2 3.88Å; K470-Y509 HydrophobicContact CD-CE2 4.3Å; K470-Y509 HydrophobicContact CG-CE2 4.19Å; I471-Y509 PolarHBondContact O-N 3.18Å; V472-Y509 WeakPolarHBondContact CA-O 3.43Å; V472-Y509 HydrophobicContact CG2-CD2 4.42Å; V472-Y509 HydrophobicContact CG2-CG 4.42Å; V473-Y509 PolarHBondContact N-O 3.31Å; Q507-Y509 HydrophobicContact CB-CD2 4.46Å; Q507-Y509 HydrophobicContact CB-CE2 3.61Å; Q507-Y509 PolarHBondContact OE1-OH 3.49Å; Y509-Y585 HydrophobicContact CD1-CD1 4.3Å; Y509-Y585 HydrophobicContact CD1-CD2 4.12Å; Y509-Y585 AromaticContact CD1-CE1 3.96Å; Y509-Y585 HydrophobicContact CD1-CE1 3.96Å; Y509-Y585 AromaticContact CD1-CE2 3.73Å; Y509-Y585 HydrophobicContact CD1-CE2 3.73Å; Y509-Y585 HydrophobicContact CD1-CG 4.36Å; Y509-Y585 AromaticContact CD1-CZ 3.63Å; Y509-Y585 HydrophobicContact CE1-CE2 4.35Å; Y509-Y585 HydrophobicContact CG-CE1 4.38Å; Y509-V586 HydrophobicContact CD1-CG1 4.24Å; Y509-V586 HydrophobicContact CD2-CG1 4.16Å; Y509-V586 HydrophobicContact CE1-CB 4.39Å; Y509-V586 HydrophobicContact CE1-CG1 4.36Å; Y509-V586 HydrophobicContact CE2-CB 4.44Å; Y509-V586 HydrophobicContact CE2-CG1 4.29Å; Y509-V586 HydrophobicContact CG-CG1 4.16Å; Y509-G589 WeakPolarHBondContact CE1-O 3.19Å; Y509-G589 PolarHBondContact OH-O 2.89Å; Y509-N789 HydrophobicContact CD1-CB 3.95Å; Y509-N789 HydrophobicContact CE1-CB 3.59Å; Y509-N789 PolarHBondContact OH-ND2 3.16Å
510	Y	96.7	Very high	76.7	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.3	-179.8	177.1	-139.7	0	0	0	110.7	V473 G475 V479 V480 P512 L537 L541 Y548 V552 Y585	V473-Y510 HydrophobicContact CG2-CD2 3.81Å; V473-Y510 WeakPolarHBondContact O-CD2 3.29Å; G475-Y510 WeakPolarHBondContact O-CE2 3.32Å; G475-Y510 PolarHBondContact O-OH 3.48Å; V479-Y510 HydrophobicContact CG1-CE2 4.12Å; V480-Y510 HydrophobicContact CG2-CD1 4.37Å; V480-Y510 HydrophobicContact CG2-CD2 3.84Å; V480-Y510 HydrophobicContact CG2-CE1 4.03Å; V480-Y510 HydrophobicContact CG2-CE2 3.51Å; V480-Y510 HydrophobicContact CG2-CG 4.26Å; Y510-P512 HydrophobicContact CE1-CB 4.04Å; Y510-P512 HydrophobicContact CE2-CB 4.47Å; Y510-L537 HydrophobicContact CD1-CD2 3.42Å; Y510-L537 VanDerWaalsContact CD1-CD2 3.42Å; Y510-L537 HydrophobicContact CE1-CB 4.29Å; Y510-L537 HydrophobicContact CE1-CD2 3.76Å; Y510-L537 HydrophobicContact CG-CD2 4.33Å; Y510-L541 HydrophobicContact CD1-CD1 4.36Å; Y510-Y548 PolarHBondContact O-OH 3.45Å; Y510-Y548 VanDerWaalsContact O-OH 3.13Å; Y510-V552 WeakPolarHBondContact O-CG1 3.43Å; Y510-Y585 PolarHBondContact N-OH 3.45Å; Y510-Y585 WeakPolarHBondContact O-CE1 3.45Å; Y510-Y585 PolarHBondContact O-OH 3.15Å
511	I	95.6	Very high	74.1	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	106.8	172.7	-54.5	-178.1	0	0	0	107	V472 V473 M474 G475 V513 V552 L555 I582 Y585	V472-I511 HydrophobicContact CG1-CD1 3.51Å; V472-I511 HydrophobicContact CG1-CG1 3.88Å; V473-I511 PolarHBondContact O-N 2.93Å; M474-I511 WeakPolarHBondContact CA-O 3.47Å; M474-I511 HydrophobicContact CE-CD1 4.22Å; M474-I511 HydrophobicContact CE-CG2 4.2Å; M474-I511 HydrophobicContact CG-CB 4.13Å; M474-I511 HydrophobicContact CG-CD1 4.23Å; G475-I511 PolarHBondContact N-O 3.08Å; I511-V513 HydrophobicContact CG2-CG2 4.18Å; I511-V513 PolarHBondContact O-N 2.8Å; I511-V552 HydrophobicContact CB-CG1 4.33Å; I511-V552 HydrophobicContact CG1-CG1 4.01Å; I511-V552 HydrophobicContact CG2-CG1 4.36Å; I511-L555 HydrophobicContact CD1-CD2 4.17Å; I511-L555 HydrophobicContact CG2-CB 4.33Å; I511-L555 HydrophobicContact CG2-CD2 3.91Å; I511-L555 HydrophobicContact CG2-CG 4.34Å; I511-I582 HydrophobicContact CD1-CD1 4.2Å; I511-I582 HydrophobicContact CD1-CG1 3.74Å; I511-Y585 HydrophobicContact CG1-CD1 4.35Å; I511-Y585 HydrophobicContact CG1-CE1 4.22Å
512	P	92.9	Very high	71.8	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.019	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.3	-178.5	29.6	-32.5	0	0	0	109	G475 Y510 C535 Y548 N553	G475-P512 CarbonylContact O-C 3.53Å; G475-P512 WeakPolarHBondContact O-CA 3.41Å; Y510-P512 HydrophobicContact CE1-CB 4.04Å; Y510-P512 HydrophobicContact CE2-CB 4.47Å; P512-C535 HydrophobicContact CB-CB 4.1Å; P512-Y548 WeakPolarHBondContact CD-OH 3.34Å; P512-N553 HydrophobicContact CG-CB 4.26Å; P512-N553 WeakPolarHBondContact CG-OD1 3.36Å
513	V	89.9	Confident	69.7	Low	0 Å²	0	58.2 Å²	58.2	0%	0	35%	0.345	C	S	.	.			trans	-125.7	107.5	172.5	-171.2	0	0	0	0	106.3	V179 F180 M474 G475 D476 I511 I559	V179-V513 HydrophobicContact CG1-CB 4.04Å; V179-V513 HydrophobicContact CG1-CG1 3.71Å; V179-V513 WeakPolarHBondContact CG1-O 3.15Å; F180-V513 HydrophobicContact CE2-CB 4.07Å; F180-V513 HydrophobicContact CE2-CG1 4.2Å; F180-V513 HydrophobicContact CE2-CG2 4.23Å; F180-V513 HydrophobicContact CZ-CB 4.03Å; F180-V513 HydrophobicContact CZ-CG1 3.98Å; F180-V513 HydrophobicContact CZ-CG2 3.8Å; M474-V513 HydrophobicContact CB-CG2 4.49Å; G475-V513 CarbonylContact C-O 3.59Å; G475-V513 WeakPolarHBondContact CA-O 3.47Å; G475-V513 PolarHBondContact O-N 3.33Å; D476-V513 PolarHBondContact N-O 2.91Å; I511-V513 HydrophobicContact CG2-CG2 4.18Å; I511-V513 PolarHBondContact O-N 2.8Å; V513-I559 HydrophobicContact CG2-CD1 4.15Å
514	C	81.1	Confident	67.2	Low	46 Å²	46	60 Å²	60	31%	0.311	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-92.3	150.6	177.5	-41.9	0	0	0	0	108.9	S534 C535 H560	C514-S534 VanDerWaalsContact CB-OG 3.3Å; C514-S534 WeakPolarHBondContact CB-OG 3.27Å; C514-S534 PolarHBondContact SG-OG 2.96Å; C514-C535 WeakPolarHBondContact CB-SG 3.04Å; C514-C535 WeakPolarHBondContact SG-CB 3.33Å; C514-C535 CovalentContact SG-SG 2.06Å; C514-C535 PolarHBondContact SG-SG 3.15Å; C514-H560 PolarHBondContact O-NE2 3.49Å
515	P	71.9	Confident	64.7	Low	60 Å²	60	66.6 Å²	66.6	39%	0.39	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-56.3	146.2	174.3	-25	34.6	0	0	0	111.9	V179 Q517	V179-P515 HydrophobicContact CG2-CG 4.45Å; P515-Q517 PolarHBondContact O-N 2.95Å
516	A	60.9	Low	61.6	Low	73 Å²	73	72.6 Å²	72.6	60%	0.603	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-60.7	121.3	179	0	0	0	0	0	110.4	L518	A516-L518 PolarHBondContact O-N 3.18Å
517	Q	52.6	Low	58.8	Low	185 Å²	185	77.8 Å²	77.8	86%	0.864	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-65.2	125	172.4	-67.7	-177	-3.3	0	0	108.9	P515	P515-Q517 PolarHBondContact O-N 2.95Å
518	L	36.7	Very low	55.6	Low	156 Å²	156	83 Å²	83	82%	0.817	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-54.6	132	171.1	-81.4	156.9	0	0	0	108.9	A516 V520	A516-L518 PolarHBondContact O-N 3.18Å; L518-V520 PolarHBondContact O-N 3.1Å
519	P	34	Very low	52.3	Low	126 Å²	126	90.8 Å²	90.8	82%	0.818	53%	0.526	S	S	*	.			trans	-63.8	110	-175.1	24.5	-33.3	0	0	0	110.4	S521	P519-S521 PolarHBondContact O-N 3.18Å
520	V	32.5	Very low	49.1	Very low	113 Å²	113	94.4 Å²	94.4	69%	0.685	55%	0.552	S	S	*	*			trans	-67.5	121.5	173.7	-176.5	0	0	0	0	108	L518	L518-V520 PolarHBondContact O-N 3.1Å
521	S	26.7	Very low	46.1	Very low	85 Å²	85	100.1 Å²	100.1	59%	0.594	59%	0.587	S	S	*	*			trans	-54.4	138.3	176.4	-179.8	0	0	0	0	110.8	P519 V523	P519-S521 PolarHBondContact O-N 3.18Å; S521-V523 PolarHBondContact O-N 3.42Å
522	P	31.1	Very low	43.9	Very low	131 Å²	131	102.8 Å²	102.8	85%	0.851	61%	0.614	S	S	*	*	S	Bend	trans	-71.8	16.7	-168.8	30.2	-37.5	0	0	0	115.2
523	V	30.6	Very low	42.4	Very low	119 Å²	119	107.8 Å²	107.8	72%	0.721	64%	0.641	S	S	*	*	S	Bend	trans	-126.8	60.6	-179.9	-166.5	0	0	0	0	110.8	S521	S521-V523 PolarHBondContact O-N 3.42Å
524	T	26	Very low	41.6	Very low	95 Å²	95	109.8 Å²	109.8	58%	0.583	66%	0.655	S	S	*	*			trans	-173.4	115.1	138.8	15.3	0	0	0	0	109.7	N526	T524-N526 PolarHBondContact O-N 3.06Å
525	V	32.3	Very low	41.8	Very low	142 Å²	142	107.8 Å²	107.8	86%	0.861	64%	0.641	S	S	*	*			trans	-75.4	79.4	167.8	-176.7	0	0	0	0	108.2
526	N	22.4	Very low	42.6	Very low	133 Å²	133	106.6 Å²	106.6	71%	0.711	63%	0.633	S	S	*	*			trans	-104.2	104.2	169.6	-81.6	-25.6	0	0	0	108.8	T524	T524-N526 PolarHBondContact O-N 3.06Å
527	L	32	Very low	44	Very low	139 Å²	139	103.1 Å²	103.1	73%	0.728	60%	0.604	S	S	*	*			trans	-52.6	139.7	167.5	-106.3	67.7	0	0	0	110.4
528	N	28.1	Very low	45.8	Very low	129 Å²	129	94.3 Å²	94.3	69%	0.69	56%	0.563	S	S	*	*			trans	70.4	66.2	156	-50.2	-15	0	0	0	117.4	S530	N528-S530 PolarHBondContact O-N 2.66Å
529	Q	26.4	Very low	48.3	Very low	169 Å²	169	88.9 Å²	88.9	79%	0.79	54%	0.538	S	S	*	.			trans	-65.4	92.3	138.3	-74	-169.8	10.4	0	0	108.2	T531	Q529-T531 PolarHBondContact O-N 2.89Å; Q529-T531 PolarHBondContact O-OG1 3.3Å
530	S	30.5	Very low	50.9	Low	77 Å²	77	83.2 Å²	83.2	54%	0.538	50%	0.5	S	S	.	.			trans	-75.9	51	-176.4	77.9	0	0	0	0	113.8	N528 G532 K635	N528-S530 PolarHBondContact O-N 2.66Å; S530-G532 VanDerWaalsContact C-N 3.25Å; S530-G532 PolarHBondContact O-N 3.02Å; S530-G532 VanDerWaalsContact O-N 3.1Å; S530-K635 PolarHBondContact OG-NZ 3.18Å
531	T	34.1	Very low	53.7	Low	121 Å²	121	77.8 Å²	77.8	74%	0.742	47%	0.468	S	S	*	.			trans	-68.3	94.1	150	42.4	0	0	0	0	106	Q529	Q529-T531 PolarHBondContact O-N 2.89Å; Q529-T531 PolarHBondContact O-OG1 3.3Å
532	G	49.8	Very low	56.6	Low	56 Å²	56	74.1 Å²	74.1	58%	0.577	44%	0.442	S	S	*	.			trans	-57.2	139.4	-176	0	0	0	0	0	111.1	S530 S534	S530-G532 VanDerWaalsContact C-N 3.25Å; S530-G532 PolarHBondContact O-N 3.02Å; S530-G532 VanDerWaalsContact O-N 3.1Å; G532-S534 PolarHBondContact O-N 2.83Å; G532-S534 VanDerWaalsContact O-N 3.16Å
533	D	61.8	Low	59.2	Low	108 Å²	108	71.9 Å²	71.9	58%	0.578	42%	0.423	S	S	*	.			trans	-28.1	113.2	-170.2	-59.4	-8.8	0	0	0	112.3	C535 T536 K734	D533-C535 PolarHBondContact O-N 2.87Å; D533-C535 VanDerWaalsContact O-N 3.13Å; D533-T536 HydrophobicContact CB-CG2 4.13Å; D533-T536 WeakPolarHBondContact O-CG2 3.49Å; D533-K734 PolarHBondContact O-NZ 3.15Å
534	S	71.3	Confident	61.9	Low	42 Å²	42	66.2 Å²	66.2	29%	0.294	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.4	-176.1	50.8	0	0	0	0	112.5	D476 D477 C514 G532	D476-S534 WeakPolarHBondContact CB-O 3.22Å; D477-S534 VanDerWaalsContact CB-O 3.32Å; D477-S534 WeakPolarHBondContact CB-O 3.36Å; D477-S534 PolarHBondContact N-O 3.46Å; D477-S534 VanDerWaalsContact OD2-O 3.14Å; C514-S534 VanDerWaalsContact CB-OG 3.3Å; C514-S534 WeakPolarHBondContact CB-OG 3.27Å; C514-S534 PolarHBondContact SG-OG 2.96Å; G532-S534 PolarHBondContact O-N 2.83Å; G532-S534 VanDerWaalsContact O-N 3.16Å
535	C	87.1	Confident	64.9	Low	5 Å²	5	61.7 Å²	61.7	3%	0.034	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	43.9	-168.6	-55.4	0	0	0	0	111.2	D477 P512 C514 D533 L537 G538 S539	D477-C535 VanDerWaalsContact OD1-C 3.23Å; D477-C535 WeakPolarHBondContact OD1-CA 3.41Å; P512-C535 HydrophobicContact CB-CB 4.1Å; C514-C535 WeakPolarHBondContact CB-SG 3.04Å; C514-C535 WeakPolarHBondContact SG-CB 3.33Å; C514-C535 CovalentContact SG-SG 2.06Å; C514-C535 PolarHBondContact SG-SG 3.15Å; D533-C535 PolarHBondContact O-N 2.87Å; D533-C535 VanDerWaalsContact O-N 3.13Å; C535-L537 VanDerWaalsContact C-N 3.32Å; C535-L537 PolarHBondContact O-N 3.43Å; C535-G538 WeakPolarHBondContact O-CA 3.44Å; C535-G538 PolarHBondContact O-N 3.04Å; C535-S539 PolarHBondContact O-N 3.39Å; C535-S539 PolarHBondContact O-OG 3.08Å
536	T	88.6	Confident	67.5	Low	35 Å²	35	56.7 Å²	56.7	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-51.6	-42.6	-174.6	55.1	0	0	0	0	114.1	D477 D533 G538 S539 Y540	D477-T536 VanDerWaalsContact CG-N 3.29Å; D477-T536 PolarHBondContact OD1-N 3.01Å; D477-T536 PolarHBondContact OD1-OG1 3.1Å; D477-T536 WeakPolarHBondContact OD2-CB 3.42Å; D477-T536 PolarHBondContact OD2-N 3.39Å; D477-T536 PolarHBondContact OD2-OG1 2.92Å; D533-T536 HydrophobicContact CB-CG2 4.13Å; D533-T536 WeakPolarHBondContact O-CG2 3.49Å; T536-G538 PolarHBondContact O-N 3.44Å; T536-S539 PolarHBondContact O-N 3.07Å; T536-Y540 PolarHBondContact O-N 3.46Å
537	L	90.4	Very high	70.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-31.9	178.4	-171.1	146.6	0	0	0	111.1	D477 V480 Y510 C535 Y540 L541 F595 L617 T618 I682	D477-L537 PolarHBondContact OD1-N 3.49Å; V480-L537 HydrophobicContact CG1-CD1 4.09Å; Y510-L537 HydrophobicContact CD1-CD2 3.42Å; Y510-L537 VanDerWaalsContact CD1-CD2 3.42Å; Y510-L537 HydrophobicContact CE1-CB 4.29Å; Y510-L537 HydrophobicContact CE1-CD2 3.76Å; Y510-L537 HydrophobicContact CG-CD2 4.33Å; C535-L537 VanDerWaalsContact C-N 3.32Å; C535-L537 PolarHBondContact O-N 3.43Å; L537-Y540 PolarHBondContact O-N 3.35Å; L537-L541 HydrophobicContact CD2-CD1 3.71Å; L537-L541 HydrophobicContact CD2-CG 4.15Å; L537-L541 WeakPolarHBondContact O-CG 3.48Å; L537-L541 PolarHBondContact O-N 3.29Å; L537-F595 HydrophobicContact CD1-CD1 4.06Å; L537-F595 HydrophobicContact CD1-CD2 4.2Å; L537-F595 HydrophobicContact CD1-CE1 4.03Å; L537-F595 HydrophobicContact CD1-CE2 4.17Å; L537-F595 HydrophobicContact CD1-CG 4.14Å; L537-F595 HydrophobicContact CD1-CZ 4.08Å; L537-F595 HydrophobicContact CD2-CE2 4.24Å; L537-F595 HydrophobicContact CD2-CZ 4.17Å; L537-F595 HydrophobicContact CG-CE1 4.04Å; L537-F595 HydrophobicContact CG-CE2 4.26Å; L537-F595 HydrophobicContact CG-CZ 3.86Å; L537-L617 HydrophobicContact CD1-CD2 3.79Å; L537-L617 HydrophobicContact CD1-CG 4.45Å; L537-T618 HydrophobicContact CB-CG2 4.4Å; L537-T618 HydrophobicContact CD1-CG2 4.42Å; L537-I682 HydrophobicContact CB-CG1 4.43Å; L537-I682 HydrophobicContact CD1-CD1 3.95Å; L537-I682 HydrophobicContact CG-CD1 4.45Å
538	G	90.1	Very high	73.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-71.5	-41.7	176.9	0	0	0	0	0	111.6	C535 T536 L541 S542	C535-G538 WeakPolarHBondContact O-CA 3.44Å; C535-G538 PolarHBondContact O-N 3.04Å; T536-G538 PolarHBondContact O-N 3.44Å; G538-L541 PolarHBondContact O-N 3.09Å; G538-S542 VanDerWaalsContact O-CB 3.29Å; G538-S542 WeakPolarHBondContact O-CB 3.43Å; G538-S542 PolarHBondContact O-N 2.98Å; G538-S542 PolarHBondContact O-OG 3.38Å
539	S	88.7	Confident	76.3	Confident	42 Å²	42	41 Å²	41	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-59.7	-44.8	170.8	-56.3	0	0	0	0	111.4	C535 T536 S542 N543	C535-S539 PolarHBondContact O-N 3.39Å; C535-S539 PolarHBondContact O-OG 3.08Å; T536-S539 PolarHBondContact O-N 3.07Å; S539-S542 PolarHBondContact O-N 3.23Å; S539-N543 PolarHBondContact O-N 2.82Å; S539-N543 VanDerWaalsContact O-N 3.08Å; S539-N543 PolarHBondContact O-ND2 3.19Å; S539-N543 PolarHBondContact O-OD1 3.27Å
540	Y	89.6	Confident	79.1	Confident	6 Å²	6	33.6 Å²	33.6	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-49.1	176.9	-179.3	-93.6	0	0	0	112.3	T536 L537 S542 N543 V544 V593 F595 I682 P683 L690	T536-Y540 PolarHBondContact O-N 3.46Å; L537-Y540 PolarHBondContact O-N 3.35Å; Y540-S542 VanDerWaalsContact C-N 3.26Å; Y540-S542 PolarHBondContact O-N 3.05Å; Y540-N543 PolarHBondContact O-N 3.02Å; Y540-V544 HydrophobicContact CE1-CG1 4Å; Y540-V544 HydrophobicContact CE1-CG2 4.3Å; Y540-V544 HydrophobicContact CE2-CG1 4.17Å; Y540-V544 PolarHBondContact O-N 3.38Å; Y540-V593 HydrophobicContact CE1-CG1 4.3Å; Y540-F595 AromaticContact CD1-CE1 3.77Å; Y540-F595 HydrophobicContact CD1-CE1 3.77Å; Y540-F595 AromaticContact CD1-CZ 3.9Å; Y540-F595 HydrophobicContact CD1-CZ 3.9Å; Y540-F595 HydrophobicContact CE1-CE1 4.07Å; Y540-F595 HydrophobicContact CE1-CZ 4.26Å; Y540-I682 HydrophobicContact CD2-CG2 4.3Å; Y540-I682 HydrophobicContact CG-CG2 3.97Å; Y540-P683 HydrophobicContact CD2-CG 3.99Å; Y540-P683 HydrophobicContact CE2-CG 3.66Å; Y540-L690 HydrophobicContact CE1-CD1 4.1Å; Y540-L690 HydrophobicContact CE1-CD2 3.91Å; Y540-L690 HydrophobicContact CE1-CG 4.44Å; Y540-L690 HydrophobicContact CE2-CD2 4.36Å
541	L	90.1	Very high	81.8	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-34.4	176.4	-71.4	-177.6	0	0	0	112.7	Y510 L537 G538 N543 V544 D545 Y548 V593 F595 V788 T790	Y510-L541 HydrophobicContact CD1-CD1 4.36Å; L537-L541 HydrophobicContact CD2-CD1 3.71Å; L537-L541 HydrophobicContact CD2-CG 4.15Å; L537-L541 WeakPolarHBondContact O-CG 3.48Å; L537-L541 PolarHBondContact O-N 3.29Å; G538-L541 PolarHBondContact O-N 3.09Å; L541-N543 VanDerWaalsContact C-N 3.33Å; L541-V544 HydrophobicContact CD2-CG2 4.49Å; L541-D545 PolarHBondContact O-N 2.96Å; L541-Y548 HydrophobicContact CB-CD1 3.82Å; L541-Y548 HydrophobicContact CB-CE1 3.49Å; L541-Y548 VanDerWaalsContact CB-CE1 3.49Å; L541-Y548 HydrophobicContact CB-CG 4.49Å; L541-Y548 HydrophobicContact CD1-CE1 4.35Å; L541-Y548 HydrophobicContact CD1-CE2 4.22Å; L541-V593 HydrophobicContact CD2-CB 3.86Å; L541-V593 HydrophobicContact CD2-CG1 3.96Å; L541-V593 HydrophobicContact CD2-CG2 3.86Å; L541-F595 HydrophobicContact CD2-CE2 3.96Å; L541-F595 HydrophobicContact CD2-CZ 3.67Å; L541-F595 HydrophobicContact CG-CE2 4.5Å; L541-F595 HydrophobicContact CG-CZ 4.09Å; L541-V788 HydrophobicContact CD1-CG1 3.9Å; L541-T790 HydrophobicContact CB-CG2 4.46Å; L541-T790 HydrophobicContact CD1-CG2 4.17Å; L541-T790 HydrophobicContact CD2-CG2 3.81Å; L541-T790 HydrophobicContact CG-CG2 4.37Å
542	S	88.6	Confident	84.6	Confident	7 Å²	7	24.3 Å²	24.3	5%	0.049	16%	0.155	C	C	.	.	H	α-helix	trans	-70.8	-27.9	178	-60.5	0	0	0	0	113.8	G538 S539 Y540 N553	G538-S542 VanDerWaalsContact O-CB 3.29Å; G538-S542 WeakPolarHBondContact O-CB 3.43Å; G538-S542 PolarHBondContact O-N 2.98Å; G538-S542 PolarHBondContact O-OG 3.38Å; S539-S542 PolarHBondContact O-N 3.23Å; Y540-S542 VanDerWaalsContact C-N 3.26Å; Y540-S542 PolarHBondContact O-N 3.05Å; S542-N553 WeakPolarHBondContact OG-CB 3.4Å; S542-N553 PolarHBondContact OG-ND2 3.4Å
543	N	85.9	Confident	86.4	Confident	84 Å²	84	24 Å²	24	45%	0.449	14%	0.14	S	C	.	.	H	α-helix	trans	-73.7	-53.8	174.7	-67.3	-19.1	0	0	0	109.8	S539 Y540 L541 D545 E686	S539-N543 PolarHBondContact O-N 2.82Å; S539-N543 VanDerWaalsContact O-N 3.08Å; S539-N543 PolarHBondContact O-ND2 3.19Å; S539-N543 PolarHBondContact O-OD1 3.27Å; Y540-N543 PolarHBondContact O-N 3.02Å; L541-N543 VanDerWaalsContact C-N 3.33Å; N543-D545 PolarHBondContact O-N 2.86Å; N543-E686 VanDerWaalsContact C-OE1 3.23Å; N543-E686 HydrophobicContact CB-CG 4.17Å; N543-E686 WeakPolarHBondContact CB-OE1 3.44Å
544	V	85.9	Confident	87.4	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-73	-22.2	-176.5	-56.4	0	0	0	0	114.9	Y540 L541 E686 I794 I795	Y540-V544 HydrophobicContact CE1-CG1 4Å; Y540-V544 HydrophobicContact CE1-CG2 4.3Å; Y540-V544 HydrophobicContact CE2-CG1 4.17Å; Y540-V544 PolarHBondContact O-N 3.38Å; L541-V544 HydrophobicContact CD2-CG2 4.49Å; V544-E686 HydrophobicContact CG1-CG 4.03Å; V544-I794 HydrophobicContact CB-CB 4.34Å; V544-I794 HydrophobicContact CB-CG1 4.14Å; V544-I794 HydrophobicContact CB-CG2 4.16Å; V544-I794 HydrophobicContact CG1-CG1 4.38Å; V544-I794 HydrophobicContact CG1-CG2 4.22Å; V544-I794 HydrophobicContact CG2-CG1 4.17Å; V544-I795 PolarHBondContact O-N 3.02Å
545	D	88.9	Confident	88.2	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.108	C	C	.	.			trans	-129.9	96.4	174.5	-173.6	-20.7	0	0	0	111.1	L541 N543 W547 Y548 N549 T790 F791 A792	L541-D545 PolarHBondContact O-N 2.96Å; N543-D545 PolarHBondContact O-N 2.86Å; D545-W547 PolarHBondContact O-N 2.8Å; D545-W547 VanDerWaalsContact O-N 3.17Å; D545-W547 WeakPolarHBondContact OD1-CA 3.48Å; D545-W547 VanDerWaalsContact OD1-CB 3.31Å; D545-W547 WeakPolarHBondContact OD1-CB 3.41Å; D545-W547 PolarHBondContact OD1-N 2.77Å; D545-Y548 WeakPolarHBondContact O-CB 3.19Å; D545-Y548 PolarHBondContact O-N 2.8Å; D545-Y548 PolarHBondContact OD1-N 3.21Å; D545-N549 PolarHBondContact O-N 3.08Å; D545-T790 WeakPolarHBondContact OD2-CB 3.01Å; D545-T790 PolarHBondContact OD2-OG1 3.48Å; D545-T790 VanDerWaalsContact OD2-OG1 3.06Å; D545-F791 WeakPolarHBondContact OD2-CB 3.35Å; D545-F791 PolarHBondContact OD2-N 2.91Å; D545-A792 PolarHBondContact OD2-N 2.94Å
546	P	86.3	Confident	88.1	Confident	36 Å²	36	18.1 Å²	18.1	23%	0.234	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-21.7	177.1	-25.5	35.4	0	0	0	114.6	S550	P546-S550 WeakPolarHBondContact O-CB 3.35Å; P546-S550 PolarHBondContact O-N 3.43Å; P546-S550 PolarHBondContact O-OG 3.13Å
547	W	89.1	Confident	87.8	Confident	4 Å²	4	18.3 Å²	18.3	2%	0.015	12%	0.116	C	C	.	.	H	α-helix	trans	-81.4	-36.8	178.4	-165.8	-127.5	0	0	0	111.3	V32 P34 R52 P91 H94 D545 S550 N551 Y584 F791	V32-W547 HydrophobicContact CG1-CH2 3.48Å; V32-W547 VanDerWaalsContact CG1-CH2 3.48Å; V32-W547 HydrophobicContact CG1-CZ3 4.05Å; P34-W547 HydrophobicContact CG-CE3 4.27Å; R52-W547 HydrophobicContact CG-CH2 4.43Å; R52-W547 HydrophobicContact CG-CZ2 4.39Å; P91-W547 HydrophobicContact CB-CD2 3.7Å; P91-W547 HydrophobicContact CB-CE3 3.66Å; P91-W547 HydrophobicContact CB-CG 4.28Å; P91-W547 HydrophobicContact CB-CH2 4.3Å; P91-W547 HydrophobicContact CB-CZ2 4.3Å; P91-W547 HydrophobicContact CB-CZ3 3.98Å; P91-W547 HydrophobicContact CG-CB 4.16Å; P91-W547 HydrophobicContact CG-CD2 3.8Å; P91-W547 HydrophobicContact CG-CE3 3.77Å; P91-W547 HydrophobicContact CG-CG 3.97Å; H94-W547 AromaticContact CD2-CD1 3.94Å; D545-W547 PolarHBondContact O-N 2.8Å; D545-W547 VanDerWaalsContact O-N 3.17Å; D545-W547 WeakPolarHBondContact OD1-CA 3.48Å; D545-W547 VanDerWaalsContact OD1-CB 3.31Å; D545-W547 WeakPolarHBondContact OD1-CB 3.41Å; D545-W547 PolarHBondContact OD1-N 2.77Å; W547-S550 PolarHBondContact O-N 2.67Å; W547-N551 VanDerWaalsContact CE3-ND2 3.34Å; W547-N551 WeakPolarHBondContact CH2-ND2 3.49Å; W547-N551 WeakPolarHBondContact CZ2-ND2 3.39Å; W547-N551 WeakPolarHBondContact CZ3-ND2 3.28Å; W547-N551 PolarHBondContact O-N 3.45Å; W547-N551 VanDerWaalsContact O-N 3.13Å; W547-N551 PolarHBondContact O-ND2 2.69Å; W547-Y584 HydrophobicContact CZ2-CE1 4.4Å; W547-Y584 WeakPolarHBondContact CZ2-OH 3.36Å; W547-Y584 AromaticContact NE1-CE1 3.92Å; W547-Y584 AromaticContact NE1-CZ 3.91Å; W547-Y584 PolarHBondContact NE1-OH 3.44Å; W547-F791 HydrophobicContact CB-CB 4.41Å; W547-F791 HydrophobicContact CB-CD2 4.42Å; W547-F791 AromaticContact CD1-CD1 3.66Å; W547-F791 AromaticContact CD1-CD2 3.77Å; W547-F791 AromaticContact CD1-CG 3.42Å; W547-F791 VanDerWaalsContact CD1-CG 3.42Å; W547-F791 HydrophobicContact CG-CB 4.45Å; W547-F791 HydrophobicContact CG-CD2 4.36Å; W547-F791 HydrophobicContact CG-CG 4.34Å; W547-F791 AromaticContact NE1-CD1 3.99Å
548	Y	91.5	Very high	87.5	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.2	-46.6	165.8	175.7	-87.3	0	0	0	111.5	Y510 P512 L541 D545 S550 N551 V552 N553 Y585 T790	Y510-Y548 PolarHBondContact O-OH 3.45Å; Y510-Y548 VanDerWaalsContact O-OH 3.13Å; P512-Y548 WeakPolarHBondContact CD-OH 3.34Å; L541-Y548 HydrophobicContact CB-CD1 3.82Å; L541-Y548 HydrophobicContact CB-CE1 3.49Å; L541-Y548 VanDerWaalsContact CB-CE1 3.49Å; L541-Y548 HydrophobicContact CB-CG 4.49Å; L541-Y548 HydrophobicContact CD1-CE1 4.35Å; L541-Y548 HydrophobicContact CD1-CE2 4.22Å; D545-Y548 WeakPolarHBondContact O-CB 3.19Å; D545-Y548 PolarHBondContact O-N 2.8Å; D545-Y548 PolarHBondContact OD1-N 3.21Å; Y548-S550 VanDerWaalsContact C-N 3.29Å; Y548-S550 PolarHBondContact O-N 2.82Å; Y548-N551 PolarHBondContact O-N 2.83Å; Y548-V552 HydrophobicContact CD2-CB 3.81Å; Y548-V552 HydrophobicContact CD2-CG1 4.05Å; Y548-V552 HydrophobicContact CD2-CG2 4.08Å; Y548-V552 HydrophobicContact CE2-CB 3.83Å; Y548-V552 HydrophobicContact CE2-CG1 3.53Å; Y548-V552 HydrophobicContact CE2-CG2 4.37Å; Y548-V552 HydrophobicContact CG-CB 4.27Å; Y548-V552 WeakPolarHBondContact O-CA 3.47Å; Y548-V552 WeakPolarHBondContact O-CB 3.25Å; Y548-V552 PolarHBondContact O-N 3.37Å; Y548-N553 HydrophobicContact CE1-CB 4.41Å; Y548-N553 PolarHBondContact O-N 3.33Å; Y548-N553 VanDerWaalsContact O-N 3.13Å; Y548-Y585 HydrophobicContact CD2-CE2 4.2Å; Y548-Y585 HydrophobicContact CE2-CE1 4.43Å; Y548-Y585 HydrophobicContact CE2-CE2 4.42Å; Y548-Y585 AromaticContact CE2-CZ 3.87Å; Y548-T790 HydrophobicContact CD2-CG2 3.88Å; Y548-T790 HydrophobicContact CE2-CG2 4.34Å; Y548-T790 HydrophobicContact CG-CG2 4.25Å
549	N	88.2	Confident	87.4	Confident	68 Å²	68	18.5 Å²	18.5	36%	0.364	12%	0.117	S	C	.	.	I	π-helix	trans	-55.8	-45.9	175.7	-172.2	31.8	0	0	0	111.9	D545 N551 N553 S554	D545-N549 PolarHBondContact O-N 3.08Å; N549-N551 PolarHBondContact O-N 2.93Å; N549-N553 PolarHBondContact OD1-ND2 2.88Å; N549-S554 PolarHBondContact O-N 3.18Å
550	S	85.3	Confident	87.3	Confident	14 Å²	14	18.4 Å²	18.4	10%	0.098	11%	0.112	C	C	.	.	I	π-helix	trans	-68.9	-28.8	-175.2	-62.4	0	0	0	0	114.7	G49 P546 W547 Y548 S554	G49-S550 PolarHBondContact N-O 2.78Å; P546-S550 WeakPolarHBondContact O-CB 3.35Å; P546-S550 PolarHBondContact O-N 3.43Å; P546-S550 PolarHBondContact O-OG 3.13Å; W547-S550 PolarHBondContact O-N 2.67Å; Y548-S550 VanDerWaalsContact C-N 3.29Å; Y548-S550 PolarHBondContact O-N 2.82Å; S550-S554 PolarHBondContact O-OG 3.09Å
551	N	87.6	Confident	87.1	Confident	2 Å²	2	23 Å²	23	1%	0.011	13%	0.132	C	C	.	.	I	π-helix	trans	-113	-35.8	-172.4	-71	-90.3	0	0	0	114.1	G49 R52 W547 Y548 N549 F791	G49-N551 WeakPolarHBondContact CA-OD1 3.43Å; R52-N551 VanDerWaalsContact CD-OD1 3.28Å; R52-N551 WeakPolarHBondContact CD-OD1 3.48Å; R52-N551 PolarHBondContact NE-OD1 3.31Å; R52-N551 VanDerWaalsContact NE-OD1 3.1Å; W547-N551 VanDerWaalsContact CE3-ND2 3.34Å; W547-N551 WeakPolarHBondContact CH2-ND2 3.49Å; W547-N551 WeakPolarHBondContact CZ2-ND2 3.39Å; W547-N551 WeakPolarHBondContact CZ3-ND2 3.28Å; W547-N551 PolarHBondContact O-N 3.45Å; W547-N551 VanDerWaalsContact O-N 3.13Å; W547-N551 PolarHBondContact O-ND2 2.69Å; Y548-N551 PolarHBondContact O-N 2.83Å; N549-N551 PolarHBondContact O-N 2.93Å; N551-F791 HydrophobicContact CB-CE2 4.38Å; N551-F791 HydrophobicContact CB-CZ 4.37Å
552	V	91.5	Very high	86.7	Confident	1 Å²	1	25 Å²	25	1%	0.006	14%	0.142	C	C	.	.	I	π-helix	trans	-109.5	-46	-169.4	179.8	0	0	0	0	111.3	Y510 I511 Y548 S554 L555 Y585 F791	Y510-V552 WeakPolarHBondContact O-CG1 3.43Å; I511-V552 HydrophobicContact CB-CG1 4.33Å; I511-V552 HydrophobicContact CG1-CG1 4.01Å; I511-V552 HydrophobicContact CG2-CG1 4.36Å; Y548-V552 HydrophobicContact CD2-CB 3.81Å; Y548-V552 HydrophobicContact CD2-CG1 4.05Å; Y548-V552 HydrophobicContact CD2-CG2 4.08Å; Y548-V552 HydrophobicContact CE2-CB 3.83Å; Y548-V552 HydrophobicContact CE2-CG1 3.53Å; Y548-V552 HydrophobicContact CE2-CG2 4.37Å; Y548-V552 HydrophobicContact CG-CB 4.27Å; Y548-V552 WeakPolarHBondContact O-CA 3.47Å; Y548-V552 WeakPolarHBondContact O-CB 3.25Å; Y548-V552 PolarHBondContact O-N 3.37Å; V552-S554 VanDerWaalsContact C-N 3.34Å; V552-S554 PolarHBondContact O-N 2.88Å; V552-L555 WeakPolarHBondContact O-CB 3.46Å; V552-L555 PolarHBondContact O-N 2.65Å; V552-L555 VanDerWaalsContact O-N 3.09Å; V552-Y585 HydrophobicContact CG1-CD1 4.1Å; V552-Y585 HydrophobicContact CG1-CE1 3.83Å; V552-Y585 HydrophobicContact CG2-CD1 3.67Å; V552-Y585 HydrophobicContact CG2-CD2 3.9Å; V552-Y585 HydrophobicContact CG2-CE1 4Å; V552-Y585 HydrophobicContact CG2-CE2 4.24Å; V552-Y585 HydrophobicContact CG2-CG 3.64Å; V552-F791 HydrophobicContact CG2-CE2 3.82Å; V552-F791 HydrophobicContact CG2-CZ 4.18Å
553	N	88	Confident	86.5	Confident	50 Å²	50	24.8 Å²	24.8	27%	0.267	14%	0.14	S	C	.	.	I	π-helix	trans	-65.6	-38.3	178.6	-170.9	47.4	0	0	0	112.2	P512 S542 Y548 N549 L555	P512-N553 HydrophobicContact CG-CB 4.26Å; P512-N553 WeakPolarHBondContact CG-OD1 3.36Å; S542-N553 WeakPolarHBondContact OG-CB 3.4Å; S542-N553 PolarHBondContact OG-ND2 3.4Å; Y548-N553 HydrophobicContact CE1-CB 4.41Å; Y548-N553 PolarHBondContact O-N 3.33Å; Y548-N553 VanDerWaalsContact O-N 3.13Å; N549-N553 PolarHBondContact OD1-ND2 2.88Å; N553-L555 PolarHBondContact O-N 2.87Å
554	S	82.6	Confident	86.5	Confident	27 Å²	27	27.1 Å²	27.1	19%	0.189	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-24.9	173.2	60.5	0	0	0	0	113.7	N549 S550 V552 G556 G557 M558	N549-S554 PolarHBondContact O-N 3.18Å; S550-S554 PolarHBondContact O-OG 3.09Å; V552-S554 VanDerWaalsContact C-N 3.34Å; V552-S554 PolarHBondContact O-N 2.88Å; S554-G556 VanDerWaalsContact C-N 3.32Å; S554-G556 PolarHBondContact O-N 2.82Å; S554-G557 PolarHBondContact O-N 3.36Å; S554-M558 WeakPolarHBondContact O-CG 3.4Å; S554-M558 PolarHBondContact O-N 3.13Å
555	L	87.6	Confident	86.3	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-36.5	-172.9	-176.5	60.3	0	0	0	112.1	I511 V552 N553 G557 M558 I559 F577 V581	I511-L555 HydrophobicContact CD1-CD2 4.17Å; I511-L555 HydrophobicContact CG2-CB 4.33Å; I511-L555 HydrophobicContact CG2-CD2 3.91Å; I511-L555 HydrophobicContact CG2-CG 4.34Å; V552-L555 WeakPolarHBondContact O-CB 3.46Å; V552-L555 PolarHBondContact O-N 2.65Å; V552-L555 VanDerWaalsContact O-N 3.09Å; N553-L555 PolarHBondContact O-N 2.87Å; L555-G557 VanDerWaalsContact C-N 3.35Å; L555-G557 PolarHBondContact O-N 2.97Å; L555-M558 HydrophobicContact CD1-CB 4.43Å; L555-M558 CarbonylContact O-C 3.58Å; L555-M558 WeakPolarHBondContact O-CA 3.38Å; L555-M558 WeakPolarHBondContact O-CB 3.45Å; L555-M558 PolarHBondContact O-N 3.04Å; L555-I559 HydrophobicContact CD1-CG1 4.27Å; L555-I559 HydrophobicContact CG-CD1 3.98Å; L555-I559 HydrophobicContact CG-CG1 4.24Å; L555-I559 WeakPolarHBondContact O-CG1 3.46Å; L555-I559 PolarHBondContact O-N 2.94Å; L555-F577 HydrophobicContact CD1-CD1 4.36Å; L555-F577 HydrophobicContact CD1-CE1 3.58Å; L555-F577 HydrophobicContact CD1-CZ 4.36Å; L555-V581 HydrophobicContact CD1-CG1 4.43Å; L555-V581 HydrophobicContact CD2-CB 4.39Å; L555-V581 HydrophobicContact CD2-CG1 3.86Å
556	G	85.4	Confident	85.7	Confident	3 Å²	3	33.9 Å²	33.9	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-57.3	-46.1	177.3	0	0	0	0	0	112.8	S554 M558 I559 H560	S554-G556 VanDerWaalsContact C-N 3.32Å; S554-G556 PolarHBondContact O-N 2.82Å; G556-M558 VanDerWaalsContact C-N 3.3Å; G556-M558 PolarHBondContact O-N 2.84Å; G556-I559 PolarHBondContact O-N 3.21Å; G556-H560 PolarHBondContact O-CD2 2.93Å; G556-H560 PolarHBondContact O-N 2.86Å
557	G	83.4	Confident	85.4	Confident	39 Å²	39	38.2 Å²	38.2	40%	0.402	20%	0.198	S	C	.	.	H	α-helix	trans	-67.3	-28.9	174.4	0	0	0	0	0	113.5	S554 L555 K561	S554-G557 PolarHBondContact O-N 3.36Å; L555-G557 VanDerWaalsContact C-N 3.35Å; L555-G557 PolarHBondContact O-N 2.97Å; G557-K561 WeakPolarHBondContact O-CG 3.22Å; G557-K561 PolarHBondContact O-N 3.3Å
558	M	83.8	Confident	84.9	Confident	3 Å²	3	44 Å²	44	2%	0.015	23%	0.227	C	C	.	.	H	α-helix	trans	-71.3	-42.1	174.6	-66.7	-173.6	69.4	0	0	112.7	N47 M50 S554 L555 G556 H560 K561 M562 F577	N47-M558 HydrophobicContact CB-CE 4.06Å; N47-M558 HydrophobicContact CB-CG 4.29Å; N47-M558 HydrophobicContact CB-SD 3.58Å; N47-M558 VanDerWaalsContact CB-SD 3.58Å; N47-M558 VanDerWaalsContact CG-SD 3.54Å; M50-M558 HydrophobicContact CB-CE 3.71Å; M50-M558 HydrophobicContact CB-SD 4.43Å; M50-M558 HydrophobicContact CE-CE 3.5Å; M50-M558 HydrophobicContact CG-CE 3.85Å; M50-M558 HydrophobicContact SD-CE 3.65Å; S554-M558 WeakPolarHBondContact O-CG 3.4Å; S554-M558 PolarHBondContact O-N 3.13Å; L555-M558 HydrophobicContact CD1-CB 4.43Å; L555-M558 CarbonylContact O-C 3.58Å; L555-M558 WeakPolarHBondContact O-CA 3.38Å; L555-M558 WeakPolarHBondContact O-CB 3.45Å; L555-M558 PolarHBondContact O-N 3.04Å; G556-M558 VanDerWaalsContact C-N 3.3Å; G556-M558 PolarHBondContact O-N 2.84Å; M558-H560 VanDerWaalsContact C-N 3.3Å; M558-H560 PolarHBondContact O-N 3.44Å; M558-K561 CarbonylContact O-C 3.56Å; M558-K561 WeakPolarHBondContact O-CA 3.22Å; M558-K561 PolarHBondContact O-N 3.33Å; M558-M562 HydrophobicContact CB-CE 4.36Å; M558-M562 WeakPolarHBondContact O-CG 3.19Å; M558-M562 PolarHBondContact O-N 2.87Å; M558-F577 HydrophobicContact CB-CE1 4.42Å; M558-F577 HydrophobicContact CE-CD1 4.18Å; M558-F577 HydrophobicContact CE-CE1 3.28Å; M558-F577 HydrophobicContact CE-CE2 3.99Å; M558-F577 HydrophobicContact CE-CZ 3.17Å; M558-F577 HydrophobicContact SD-CE1 3.8Å; M558-F577 HydrophobicContact SD-CZ 3.63Å
559	I	88.1	Confident	84.1	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-56.8	-46	177.9	-66.9	163.3	0	0	0	109.9	F180 L184 V188 M474 V513 L555 G556 K561 M562 A563 I578	F180-I559 HydrophobicContact CE1-CG2 4.33Å; L184-I559 HydrophobicContact CD2-CG2 4.02Å; V188-I559 HydrophobicContact CG2-CG2 3.75Å; M474-I559 HydrophobicContact CE-CD1 3.51Å; V513-I559 HydrophobicContact CG2-CD1 4.15Å; L555-I559 HydrophobicContact CD1-CG1 4.27Å; L555-I559 HydrophobicContact CG-CD1 3.98Å; L555-I559 HydrophobicContact CG-CG1 4.24Å; L555-I559 WeakPolarHBondContact O-CG1 3.46Å; L555-I559 PolarHBondContact O-N 2.94Å; G556-I559 PolarHBondContact O-N 3.21Å; I559-K561 PolarHBondContact O-N 3.34Å; I559-M562 HydrophobicContact CG1-CE 4.29Å; I559-M562 PolarHBondContact O-N 3.12Å; I559-A563 WeakPolarHBondContact O-CB 3.47Å; I559-A563 PolarHBondContact O-N 2.78Å; I559-I578 HydrophobicContact CG1-CD1 4.02Å; I559-I578 HydrophobicContact CG1-CG1 4.25Å
560	H	86.1	Confident	83.2	Confident	39 Å²	39	48 Å²	48	18%	0.181	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-44.2	172.6	-72	-70.3	0	0	0	113.1	L184 C514 G556 M558 K564	L184-H560 WeakPolarHBondContact CD2-ND1 3.37Å; C514-H560 PolarHBondContact O-NE2 3.49Å; G556-H560 PolarHBondContact O-CD2 2.93Å; G556-H560 PolarHBondContact O-N 2.86Å; M558-H560 VanDerWaalsContact C-N 3.3Å; M558-H560 PolarHBondContact O-N 3.44Å; H560-K564 WeakPolarHBondContact O-CB 3.29Å; H560-K564 PolarHBondContact O-N 3.39Å
561	K	84.8	Confident	82.1	Confident	103 Å²	103	56.3 Å²	56.3	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-39.1	178	-74.3	175.4	179	-177	0	111.8	D44 G557 M558 I559 L565	D44-K561 IonicContact OD1-NZ 2.96Å; G557-K561 WeakPolarHBondContact O-CG 3.22Å; G557-K561 PolarHBondContact O-N 3.3Å; M558-K561 CarbonylContact O-C 3.56Å; M558-K561 WeakPolarHBondContact O-CA 3.22Å; M558-K561 PolarHBondContact O-N 3.33Å; I559-K561 PolarHBondContact O-N 3.34Å; K561-L565 VanDerWaalsContact O-CG 3.27Å; K561-L565 WeakPolarHBondContact O-CG 3.31Å; K561-L565 PolarHBondContact O-N 3.25Å
562	M	82	Confident	80.8	Confident	42 Å²	42	64.1 Å²	64.1	21%	0.207	32%	0.32	C	S	.	.	H	α-helix	trans	-73.2	-44.6	179.7	-68.7	179.6	-55.3	0	0	112.4	M558 I559 K564 L565 Q566 F577 I578	M558-M562 HydrophobicContact CB-CE 4.36Å; M558-M562 WeakPolarHBondContact O-CG 3.19Å; M558-M562 PolarHBondContact O-N 2.87Å; I559-M562 HydrophobicContact CG1-CE 4.29Å; I559-M562 PolarHBondContact O-N 3.12Å; M562-K564 VanDerWaalsContact C-N 3.28Å; M562-K564 PolarHBondContact O-N 3.46Å; M562-L565 PolarHBondContact O-N 3.2Å; M562-L565 VanDerWaalsContact O-N 3.08Å; M562-Q566 WeakPolarHBondContact O-CB 3.45Å; M562-Q566 PolarHBondContact O-N 3.42Å; M562-F577 HydrophobicContact CE-CD1 3.69Å; M562-F577 HydrophobicContact CE-CE1 4.18Å; M562-F577 HydrophobicContact SD-CB 4.31Å; M562-F577 HydrophobicContact SD-CD1 3.51Å; M562-F577 VanDerWaalsContact SD-CD1 3.51Å; M562-F577 HydrophobicContact SD-CE1 4.26Å; M562-F577 HydrophobicContact SD-CG 4.17Å; M562-I578 HydrophobicContact CE-CD1 3.82Å; M562-I578 HydrophobicContact CE-CG1 3.49Å; M562-I578 VanDerWaalsContact CE-CG1 3.49Å
563	A	84.8	Confident	79.2	Confident	2 Å²	2	70.3 Å²	70.3	2%	0.017	36%	0.36	C	S	.	.	H	α-helix	trans	-56.6	-43.4	175	0	0	0	0	0	111.7	L184 A187 I559 Q566 E567	L184-A563 HydrophobicContact CD2-CB 3.82Å; A187-A563 HydrophobicContact CB-CB 3.76Å; I559-A563 WeakPolarHBondContact O-CB 3.47Å; I559-A563 PolarHBondContact O-N 2.78Å; A563-Q566 WeakPolarHBondContact O-CB 3.41Å; A563-Q566 PolarHBondContact O-N 3.34Å; A563-E567 PolarHBondContact O-N 2.84Å
564	K	85.1	Confident	78.3	Confident	134 Å²	134	70.5 Å²	70.5	58%	0.583	36%	0.358	S	S	*	.	H	α-helix	trans	-65.5	-39.3	174.3	-173.8	175.2	-178.9	177.4	0	113.3	H560 M562 Q566 M568	H560-K564 WeakPolarHBondContact O-CB 3.29Å; H560-K564 PolarHBondContact O-N 3.39Å; M562-K564 VanDerWaalsContact C-N 3.28Å; M562-K564 PolarHBondContact O-N 3.46Å; K564-Q566 VanDerWaalsContact C-N 3.29Å; K564-Q566 PolarHBondContact O-N 3.47Å; K564-M568 WeakPolarHBondContact O-CG 3.46Å; K564-M568 PolarHBondContact O-N 3.06Å
565	L	82.1	Confident	78.2	Confident	102 Å²	102	74.1 Å²	74.1	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-35	175.8	-78.1	167.4	0	0	0	112.1	K561 M562 M568 N569	K561-L565 VanDerWaalsContact O-CG 3.27Å; K561-L565 WeakPolarHBondContact O-CG 3.31Å; K561-L565 PolarHBondContact O-N 3.25Å; M562-L565 PolarHBondContact O-N 3.2Å; M562-L565 VanDerWaalsContact O-N 3.08Å; L565-M568 PolarHBondContact O-N 3.09Å; L565-N569 PolarHBondContact O-N 2.92Å
566	Q	77.3	Confident	78.2	Confident	40 Å²	40	74.8 Å²	74.8	19%	0.187	38%	0.38	C	S	.	.	H	α-helix	trans	-68.6	-42.7	176.5	167.6	166.5	-16.7	0	0	112.6	E190 M562 A563 K564 M568 N569	E190-Q566 PolarHBondContact OE2-NE2 2.66Å; M562-Q566 WeakPolarHBondContact O-CB 3.45Å; M562-Q566 PolarHBondContact O-N 3.42Å; A563-Q566 WeakPolarHBondContact O-CB 3.41Å; A563-Q566 PolarHBondContact O-N 3.34Å; K564-Q566 VanDerWaalsContact C-N 3.29Å; K564-Q566 PolarHBondContact O-N 3.47Å; Q566-M568 PolarHBondContact O-N 3.47Å; Q566-N569 CarbonylContact O-C 3.58Å; Q566-N569 PolarHBondContact O-N 2.87Å
567	E	78.5	Confident	78.4	Confident	127 Å²	127	75 Å²	75	59%	0.593	38%	0.38	S	S	*	.	H	α-helix	trans	-55.3	-37.6	170.2	-72.1	177.5	164.3	0	0	111.9	S183 A563	S183-E567 WeakPolarHBondContact CB-OE1 3.41Å; S183-E567 PolarHBondContact OG-OE1 2.76Å; A563-E567 PolarHBondContact O-N 2.84Å
568	M	78.7	Confident	78.8	Confident	126 Å²	126	73.4 Å²	73.4	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-81.4	-24.3	-178.8	-66.8	178.5	66.2	0	0	114.1	K564 L565 Q566	K564-M568 WeakPolarHBondContact O-CG 3.46Å; K564-M568 PolarHBondContact O-N 3.06Å; L565-M568 PolarHBondContact O-N 3.09Å; Q566-M568 PolarHBondContact O-N 3.47Å
569	N	75.9	Confident	79.2	Confident	61 Å²	61	73.2 Å²	73.2	33%	0.326	36%	0.361	S	S	.	.			trans	-147.3	75.3	-174.6	-64.3	-96	0	0	0	111.1	L565 Q566 E571 R572	L565-N569 PolarHBondContact O-N 2.92Å; Q566-N569 CarbonylContact O-C 3.58Å; Q566-N569 PolarHBondContact O-N 2.87Å; N569-E571 VanDerWaalsContact C-N 3.3Å; N569-E571 PolarHBondContact O-N 2.9Å; N569-R572 HydrophobicContact CB-CG 4.32Å
570	P	68.8	Low	79.4	Confident	90 Å²	90	74.3 Å²	74.3	58%	0.584	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.5	-176.8	26.1	-34.4	0	0	0	114	R572	P570-R572 PolarHBondContact O-N 3.17Å
571	E	61.4	Low	79.8	Confident	189 Å²	189	72.6 Å²	72.6	88%	0.883	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-4	-171.9	-60.6	-176.4	162.3	0	0	115.5	N569	N569-E571 VanDerWaalsContact C-N 3.3Å; N569-E571 PolarHBondContact O-N 2.9Å
572	R	61.5	Low	80.3	Confident	167 Å²	167	67.7 Å²	67.7	63%	0.63	34%	0.338	S	S	*	.	S	Bend	trans	-76.1	133.2	-179.7	-70.3	-174	-177.2	-167.2	0.7	110.5	N569 P570 K574	N569-R572 HydrophobicContact CB-CG 4.32Å; P570-R572 PolarHBondContact O-N 3.17Å; R572-K574 PolarHBondContact O-N 3.24Å
573	P	57.1	Low	80.9	Confident	130 Å²	130	65.7 Å²	65.7	84%	0.844	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-59	131.6	166.3	26.6	-33	0	0	0	108.5
574	K	69.4	Low	81.4	Confident	54 Å²	54	65.8 Å²	65.8	24%	0.235	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-100	141.6	-175.9	-69.8	158.4	-167.2	154	0	108.8	E190 V194 R572	E190-K574 HydrophobicContact CG-CD 4.37Å; E190-K574 WeakPolarHBondContact OE1-CD 3.38Å; E190-K574 IonicContact OE1-NZ 3.11Å; E190-K574 PolarHBondContact OE1-NZ 3.37Å; E190-K574 IonicContact OE2-NZ 2.68Å; E190-K574 PolarHBondContact OE2-NZ 3.09Å; V194-K574 VanDerWaalsContact CG1-O 3.22Å; V194-K574 WeakPolarHBondContact CG1-O 3.4Å; V194-K574 HydrophobicContact CG2-CB 4.42Å; R572-K574 PolarHBondContact O-N 3.24Å
575	D	80.5	Confident	81.9	Confident	103 Å²	103	59.5 Å²	59.5	55%	0.551	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-91.2	147.9	164.1	-63.9	-63.2	0	0	0	109.3	W53 F577	W53-D575 HydrophobicContact CH2-CB 3.72Å; W53-D575 HydrophobicContact CZ2-CB 3.56Å; D575-F577 PolarHBondContact O-N 2.92Å
576	P	87.4	Confident	82.5	Confident	16 Å²	16	54.6 Å²	54.6	10%	0.104	28%	0.275	C	S	.	.			trans	-77.4	61.3	-178.1	32.8	-36.3	0	0	0	112.2	V194 D580	V194-P576 HydrophobicContact CG1-CB 4.17Å; V194-P576 HydrophobicContact CG1-CG 4.5Å; P576-D580 VanDerWaalsContact O-CB 3.26Å; P576-D580 WeakPolarHBondContact O-CB 3.4Å; P576-D580 PolarHBondContact O-N 3.48Å
577	F	89.9	Confident	83.3	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.035	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-43.5	-173.5	172.8	-95.4	0	0	0	113.3	M50 W53 D191 L555 M558 M562 D575 V581	M50-F577 HydrophobicContact CB-CE2 4.37Å; M50-F577 HydrophobicContact CG-CE2 4.29Å; W53-F577 HydrophobicContact CB-CD2 4.09Å; W53-F577 HydrophobicContact CB-CE2 3.76Å; W53-F577 AromaticContact CD1-CD2 3.9Å; W53-F577 AromaticContact CD2-CD2 3.52Å; W53-F577 HydrophobicContact CD2-CD2 3.52Å; W53-F577 HydrophobicContact CD2-CE2 4.08Å; W53-F577 AromaticContact CE2-CD2 3.85Å; W53-F577 AromaticContact CE3-CD2 3.91Å; W53-F577 HydrophobicContact CE3-CD2 3.91Å; W53-F577 HydrophobicContact CE3-CE2 4.4Å; W53-F577 AromaticContact CG-CD2 3.58Å; W53-F577 HydrophobicContact CG-CD2 3.58Å; W53-F577 AromaticContact CG-CE2 3.78Å; W53-F577 HydrophobicContact CG-CE2 3.78Å; W53-F577 HydrophobicContact CZ2-CB 4.45Å; D191-F577 PolarHBondContact OD2-N 2.85Å; L555-F577 HydrophobicContact CD1-CD1 4.36Å; L555-F577 HydrophobicContact CD1-CE1 3.58Å; L555-F577 HydrophobicContact CD1-CZ 4.36Å; M558-F577 HydrophobicContact CB-CE1 4.42Å; M558-F577 HydrophobicContact CE-CD1 4.18Å; M558-F577 HydrophobicContact CE-CE1 3.28Å; M558-F577 HydrophobicContact CE-CE2 3.99Å; M558-F577 HydrophobicContact CE-CZ 3.17Å; M558-F577 HydrophobicContact SD-CE1 3.8Å; M558-F577 HydrophobicContact SD-CZ 3.63Å; M562-F577 HydrophobicContact CE-CD1 3.69Å; M562-F577 HydrophobicContact CE-CE1 4.18Å; M562-F577 HydrophobicContact SD-CB 4.31Å; M562-F577 HydrophobicContact SD-CD1 3.51Å; M562-F577 VanDerWaalsContact SD-CD1 3.51Å; M562-F577 HydrophobicContact SD-CE1 4.26Å; M562-F577 HydrophobicContact SD-CG 4.17Å; D575-F577 PolarHBondContact O-N 2.92Å; F577-V581 HydrophobicContact CD2-CG2 4.23Å; F577-V581 HydrophobicContact CE1-CG2 4.03Å; F577-V581 HydrophobicContact CE2-CG2 3.62Å; F577-V581 HydrophobicContact CZ-CG2 3.5Å; F577-V581 VanDerWaalsContact O-CG2 3.29Å; F577-V581 WeakPolarHBondContact O-CG2 3.46Å; F577-V581 PolarHBondContact O-N 2.91Å
578	I	91.8	Very high	83.9	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-48	-178.8	-56.5	170.1	0	0	0	108.8	V188 D191 M474 I559 M562 V581 I582	V188-I578 HydrophobicContact CB-CD1 4.48Å; V188-I578 HydrophobicContact CG2-CD1 3.93Å; D191-I578 HydrophobicContact CB-CB 4.26Å; D191-I578 HydrophobicContact CB-CD1 4.03Å; D191-I578 HydrophobicContact CB-CG1 4.35Å; D191-I578 WeakPolarHBondContact OD1-CB 3.43Å; D191-I578 PolarHBondContact OD1-N 3.16Å; D191-I578 WeakPolarHBondContact OD2-CG1 3.49Å; D191-I578 PolarHBondContact OD2-N 2.97Å; M474-I578 HydrophobicContact CE-CG2 4.48Å; I559-I578 HydrophobicContact CG1-CD1 4.02Å; I559-I578 HydrophobicContact CG1-CG1 4.25Å; M562-I578 HydrophobicContact CE-CD1 3.82Å; M562-I578 HydrophobicContact CE-CG1 3.49Å; M562-I578 VanDerWaalsContact CE-CG1 3.49Å; I578-V581 PolarHBondContact O-N 3.09Å; I578-I582 HydrophobicContact CG2-CD1 3.87Å; I578-I582 HydrophobicContact CG2-CG1 4.49Å; I578-I582 WeakPolarHBondContact O-CG1 3.34Å; I578-I582 PolarHBondContact O-N 2.9Å
579	S	92.5	Very high	84.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-46.4	178	-55.3	0	0	0	0	111.7	D191 F192 S195 M303 V581 I582 A583	D191-S579 PolarHBondContact O-OG 2.71Å; D191-S579 WeakPolarHBondContact OD1-CB 3.44Å; D191-S579 PolarHBondContact OD1-N 2.92Å; D191-S579 PolarHBondContact OD1-OG 2.8Å; F192-S579 WeakPolarHBondContact CD1-OG 3.47Å; S195-S579 WeakPolarHBondContact CB-OG 3.44Å; M303-S579 WeakPolarHBondContact CE-O 3.43Å; S579-V581 VanDerWaalsContact C-N 3.31Å; S579-V581 PolarHBondContact O-N 2.96Å; S579-I582 PolarHBondContact O-N 2.96Å; S579-A583 WeakPolarHBondContact O-CB 3.42Å; S579-A583 PolarHBondContact O-N 3.02Å
580	D	92.5	Very high	85	Confident	24 Å²	24	42 Å²	42	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-34	177.4	-73.3	-10	0	0	0	112.8	W53 K57 N300 P576 Y584	W53-D580 VanDerWaalsContact CD1-CB 3.48Å; W53-D580 PolarHBondContact NE1-OD2 3.43Å; K57-D580 WeakPolarHBondContact CE-OD2 3.41Å; K57-D580 IonicContact NZ-OD1 3.25Å; K57-D580 IonicContact NZ-OD2 2.83Å; K57-D580 PolarHBondContact NZ-OD2 2.81Å; N300-D580 PolarHBondContact ND2-OD1 3.17Å; N300-D580 PolarHBondContact OD1-OD1 3.38Å; P576-D580 VanDerWaalsContact O-CB 3.26Å; P576-D580 WeakPolarHBondContact O-CB 3.4Å; P576-D580 PolarHBondContact O-N 3.48Å; D580-Y584 WeakPolarHBondContact O-CB 3.46Å; D580-Y584 PolarHBondContact O-N 3.45Å; D580-Y584 VanDerWaalsContact O-N 3.08Å
581	V	93.8	Very high	85.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-74	-40.1	174.9	174.7	0	0	0	0	111.3	L555 F577 I578 S579 Y584 Y585	L555-V581 HydrophobicContact CD1-CG1 4.43Å; L555-V581 HydrophobicContact CD2-CB 4.39Å; L555-V581 HydrophobicContact CD2-CG1 3.86Å; F577-V581 HydrophobicContact CD2-CG2 4.23Å; F577-V581 HydrophobicContact CE1-CG2 4.03Å; F577-V581 HydrophobicContact CE2-CG2 3.62Å; F577-V581 HydrophobicContact CZ-CG2 3.5Å; F577-V581 VanDerWaalsContact O-CG2 3.29Å; F577-V581 WeakPolarHBondContact O-CG2 3.46Å; F577-V581 PolarHBondContact O-N 2.91Å; I578-V581 PolarHBondContact O-N 3.09Å; S579-V581 VanDerWaalsContact C-N 3.31Å; S579-V581 PolarHBondContact O-N 2.96Å; V581-Y584 PolarHBondContact O-N 2.87Å; V581-Y585 WeakPolarHBondContact O-CB 3.3Å; V581-Y585 PolarHBondContact O-N 3.01Å
582	I	95.3	Very high	87.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-47.9	173.4	-69.2	171	0	0	0	109.8	V171 V173 F192 M303 V472 M474 I511 I578 S579 Y584 Y585 V586	V171-I582 HydrophobicContact CG1-CG2 4.28Å; V173-I582 HydrophobicContact CG2-CD1 4.44Å; F192-I582 HydrophobicContact CE1-CD1 3.97Å; F192-I582 HydrophobicContact CZ-CD1 3.64Å; M303-I582 HydrophobicContact CE-CB 4.16Å; M303-I582 HydrophobicContact CE-CG2 3.85Å; M303-I582 HydrophobicContact SD-CB 4.41Å; M303-I582 HydrophobicContact SD-CG2 4.06Å; V472-I582 HydrophobicContact CG2-CG2 4.27Å; M474-I582 HydrophobicContact SD-CD1 4.44Å; I511-I582 HydrophobicContact CD1-CD1 4.2Å; I511-I582 HydrophobicContact CD1-CG1 3.74Å; I578-I582 HydrophobicContact CG2-CD1 3.87Å; I578-I582 HydrophobicContact CG2-CG1 4.49Å; I578-I582 WeakPolarHBondContact O-CG1 3.34Å; I578-I582 PolarHBondContact O-N 2.9Å; S579-I582 PolarHBondContact O-N 2.96Å; I582-Y584 VanDerWaalsContact C-N 3.34Å; I582-Y584 PolarHBondContact O-N 3.22Å; I582-Y585 PolarHBondContact O-N 2.91Å; I582-Y585 VanDerWaalsContact O-N 3.1Å; I582-V586 HydrophobicContact CG2-CG1 4.21Å; I582-V586 WeakPolarHBondContact O-CG1 3.44Å; I582-V586 WeakPolarHBondContact O-CG2 3.32Å; I582-V586 PolarHBondContact O-N 3.21Å
583	A	94.6	Very high	88.5	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-56.6	-45.6	177	0	0	0	0	0	111.9	N300 P301 M303 S579 R587	N300-A583 HydrophobicContact CB-CB 4.41Å; N300-A583 WeakPolarHBondContact OD1-CB 3.5Å; P301-A583 HydrophobicContact CG-CB 4.41Å; M303-A583 HydrophobicContact CE-CB 3.84Å; S579-A583 WeakPolarHBondContact O-CB 3.42Å; S579-A583 PolarHBondContact O-N 3.02Å; A583-R587 WeakPolarHBondContact O-CB 3.22Å; A583-R587 WeakPolarHBondContact O-CD 3.42Å; A583-R587 WeakPolarHBondContact O-CG 3.37Å; A583-R587 PolarHBondContact O-N 3.39Å; A583-R587 VanDerWaalsContact O-N 3.13Å
584	Y	94.7	Very high	90	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-44.8	174.1	178.2	-102.5	0	0	0	112.3	R52 H94 W547 D580 V581 I582 R587 S588 F791	R52-Y584 VanDerWaalsContact CD-CE1 3.48Å; H94-Y584 WeakPolarHBondContact CB-OH 3.45Å; W547-Y584 HydrophobicContact CZ2-CE1 4.4Å; W547-Y584 WeakPolarHBondContact CZ2-OH 3.36Å; W547-Y584 AromaticContact NE1-CE1 3.92Å; W547-Y584 AromaticContact NE1-CZ 3.91Å; W547-Y584 PolarHBondContact NE1-OH 3.44Å; D580-Y584 WeakPolarHBondContact O-CB 3.46Å; D580-Y584 PolarHBondContact O-N 3.45Å; D580-Y584 VanDerWaalsContact O-N 3.08Å; V581-Y584 PolarHBondContact O-N 2.87Å; I582-Y584 VanDerWaalsContact C-N 3.34Å; I582-Y584 PolarHBondContact O-N 3.22Å; Y584-R587 PolarHBondContact O-N 3.14Å; Y584-S588 WeakPolarHBondContact O-CB 3.36Å; Y584-S588 PolarHBondContact O-N 3.29Å; Y584-F791 AromaticContact CD1-CE1 3.89Å; Y584-F791 HydrophobicContact CD1-CE1 3.89Å; Y584-F791 HydrophobicContact CD1-CZ 4.04Å; Y584-F791 HydrophobicContact CE1-CD1 4.41Å; Y584-F791 AromaticContact CE1-CE1 3.45Å; Y584-F791 HydrophobicContact CE1-CE1 3.45Å; Y584-F791 VanDerWaalsContact CE1-CE1 3.45Å; Y584-F791 AromaticContact CE1-CZ 3.8Å; Y584-F791 HydrophobicContact CE1-CZ 3.8Å
585	Y	95.9	Very high	91	Very high	2 Å²	2	13 Å²	13	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-65.9	-44.3	-179.6	179.5	-151.5	0	0	0	112.4	Y509 Y510 I511 Y548 V552 V581 I582 R587 G589 N789 F791	Y509-Y585 HydrophobicContact CD1-CD1 4.3Å; Y509-Y585 HydrophobicContact CD1-CD2 4.12Å; Y509-Y585 AromaticContact CD1-CE1 3.96Å; Y509-Y585 HydrophobicContact CD1-CE1 3.96Å; Y509-Y585 AromaticContact CD1-CE2 3.73Å; Y509-Y585 HydrophobicContact CD1-CE2 3.73Å; Y509-Y585 HydrophobicContact CD1-CG 4.36Å; Y509-Y585 AromaticContact CD1-CZ 3.63Å; Y509-Y585 HydrophobicContact CE1-CE2 4.35Å; Y509-Y585 HydrophobicContact CG-CE1 4.38Å; Y510-Y585 PolarHBondContact N-OH 3.45Å; Y510-Y585 WeakPolarHBondContact O-CE1 3.45Å; Y510-Y585 PolarHBondContact O-OH 3.15Å; I511-Y585 HydrophobicContact CG1-CD1 4.35Å; I511-Y585 HydrophobicContact CG1-CE1 4.22Å; Y548-Y585 HydrophobicContact CD2-CE2 4.2Å; Y548-Y585 HydrophobicContact CE2-CE1 4.43Å; Y548-Y585 HydrophobicContact CE2-CE2 4.42Å; Y548-Y585 AromaticContact CE2-CZ 3.87Å; V552-Y585 HydrophobicContact CG1-CD1 4.1Å; V552-Y585 HydrophobicContact CG1-CE1 3.83Å; V552-Y585 HydrophobicContact CG2-CD1 3.67Å; V552-Y585 HydrophobicContact CG2-CD2 3.9Å; V552-Y585 HydrophobicContact CG2-CE1 4Å; V552-Y585 HydrophobicContact CG2-CE2 4.24Å; V552-Y585 HydrophobicContact CG2-CG 3.64Å; V581-Y585 WeakPolarHBondContact O-CB 3.3Å; V581-Y585 PolarHBondContact O-N 3.01Å; I582-Y585 PolarHBondContact O-N 2.91Å; I582-Y585 VanDerWaalsContact O-N 3.1Å; Y585-R587 VanDerWaalsContact C-N 3.3Å; Y585-R587 PolarHBondContact O-N 3.3Å; Y585-G589 VanDerWaalsContact O-CA 3.24Å; Y585-G589 WeakPolarHBondContact O-CA 3.43Å; Y585-G589 PolarHBondContact O-N 2.98Å; Y585-N789 WeakPolarHBondContact CE2-O 3.48Å; Y585-N789 PolarHBondContact OH-O 3.29Å; Y585-F791 HydrophobicContact CD2-CE1 4.26Å; Y585-F791 AromaticContact CD2-CE2 3.85Å; Y585-F791 HydrophobicContact CD2-CE2 3.85Å; Y585-F791 AromaticContact CD2-CZ 3.68Å; Y585-F791 HydrophobicContact CD2-CZ 3.68Å; Y585-F791 HydrophobicContact CE2-CE2 4.35Å; Y585-F791 HydrophobicContact CG-CZ 4.24Å
586	V	95.4	Very high	91.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-76.8	-13.2	-179.7	-55.9	0	0	0	0	114.4	V171 P301 K470 V472 Y509 I582 Q590	V171-V586 HydrophobicContact CG2-CG2 4.06Å; P301-V586 HydrophobicContact CG-CG2 4.44Å; K470-V586 HydrophobicContact CD-CB 3.78Å; K470-V586 HydrophobicContact CD-CG2 4.19Å; K470-V586 PolarHBondContact NZ-O 2.98Å; K470-V586 VanDerWaalsContact NZ-O 3.13Å; V472-V586 HydrophobicContact CG2-CG1 3.66Å; Y509-V586 HydrophobicContact CD1-CG1 4.24Å; Y509-V586 HydrophobicContact CD2-CG1 4.16Å; Y509-V586 HydrophobicContact CE1-CB 4.39Å; Y509-V586 HydrophobicContact CE1-CG1 4.36Å; Y509-V586 HydrophobicContact CE2-CB 4.44Å; Y509-V586 HydrophobicContact CE2-CG1 4.29Å; Y509-V586 HydrophobicContact CG-CG1 4.16Å; I582-V586 HydrophobicContact CG2-CG1 4.21Å; I582-V586 WeakPolarHBondContact O-CG1 3.44Å; I582-V586 WeakPolarHBondContact O-CG2 3.32Å; I582-V586 PolarHBondContact O-N 3.21Å; V586-Q590 PolarHBondContact O-NE2 3.26Å
587	R	92.7	Very high	91.6	Very high	30 Å²	30	7.8 Å²	7.8	11%	0.113	4%	0.037	C	C	.	.	H	α-helix	trans	-90	-49.9	171.5	-71.5	170.5	178.4	158.5	-10.5	111.5	M153 E157 P299 A583 Y584 Y585 Q590	M153-R587 HydrophobicContact CE-CG 4.44Å; E157-R587 WeakPolarHBondContact OE1-CG 3.34Å; E157-R587 IonicContact OE1-NE 2.75Å; E157-R587 PolarHBondContact OE1-NE 3.14Å; E157-R587 IonicContact OE2-CZ 3.06Å; E157-R587 VanDerWaalsContact OE2-CZ 3.24Å; E157-R587 IonicContact OE2-NE 3.06Å; E157-R587 PolarHBondContact OE2-NE 3.44Å; E157-R587 IonicContact OE2-NH2 3.81Å; E157-R587 PolarHBondContact OE2-NH2 2.86Å; P299-R587 PolarHBondContact O-NH2 3.17Å; A583-R587 WeakPolarHBondContact O-CB 3.22Å; A583-R587 WeakPolarHBondContact O-CD 3.42Å; A583-R587 WeakPolarHBondContact O-CG 3.37Å; A583-R587 PolarHBondContact O-N 3.39Å; A583-R587 VanDerWaalsContact O-N 3.13Å; Y584-R587 PolarHBondContact O-N 3.14Å; Y585-R587 VanDerWaalsContact C-N 3.3Å; Y585-R587 PolarHBondContact O-N 3.3Å; R587-Q590 PolarHBondContact O-NE2 3.08Å
588	S	91.8	Very high	91.7	Very high	7 Å²	7	7.4 Å²	7.4	5%	0.049	4%	0.036	C	C	.	.	H	α-helix	trans	-89	-23.4	-175.7	-60.5	0	0	0	0	114.8	H94 Y584 Q590	H94-S588 PolarHBondContact NE2-O 3.24Å; Y584-S588 WeakPolarHBondContact O-CB 3.36Å; Y584-S588 PolarHBondContact O-N 3.29Å; S588-Q590 PolarHBondContact O-N 3.3Å
589	G	91.6	Very high	91.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.			trans	-78	82.6	178.7	0	0	0	0	0	112.6	Y509 Y585 N789 T790	Y509-G589 WeakPolarHBondContact CE1-O 3.19Å; Y509-G589 PolarHBondContact OH-O 2.89Å; Y585-G589 VanDerWaalsContact O-CA 3.24Å; Y585-G589 WeakPolarHBondContact O-CA 3.43Å; Y585-G589 PolarHBondContact O-N 2.98Å; G589-N789 WeakPolarHBondContact O-CB 3.44Å; G589-T790 CarbonylContact C-O 3.59Å; G589-T790 VanDerWaalsContact C-O 3.25Å; G589-T790 VanDerWaalsContact CA-O 3.23Å; G589-T790 WeakPolarHBondContact CA-O 3.41Å
590	Q	86.4	Confident	91.8	Very high	52 Å²	52	9 Å²	9	24%	0.243	4%	0.043	C	C	.	.			trans	-115.7	12.1	-174.9	-58.8	-59.1	-29.6	0	0	113.9	V586 R587 S588 T790	V586-Q590 PolarHBondContact O-NE2 3.26Å; R587-Q590 PolarHBondContact O-NE2 3.08Å; S588-Q590 PolarHBondContact O-N 3.3Å; Q590-T790 PolarHBondContact N-O 3.1Å
591	Q	88.6	Confident	91.9	Very high	3 Å²	3	11.5 Å²	11.5	1%	0.014	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.3	-175.8	-60.9	-55.8	-59.5	0	0	110.8	V131 T790 F791 A792 G793	V131-Q591 HydrophobicContact CG2-CG 4.07Å; Q591-T790 PolarHBondContact N-O 3.27Å; Q591-T790 PolarHBondContact O-N 3.29Å; Q591-F791 WeakPolarHBondContact CG-O 3.33Å; Q591-A792 VanDerWaalsContact CB-C 3.48Å; Q591-G793 VanDerWaalsContact CB-N 3.29Å
592	P	88.3	Confident	91.9	Very high	7 Å²	7	11.4 Å²	11.4	5%	0.045	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.9	-177.2	27.2	-33.9	0	0	0	112.7	A451 M453 Y594 P787	A451-P592 WeakPolarHBondContact CA-O 3.34Å; M453-P592 WeakPolarHBondContact O-CD 3.2Å; M453-P592 WeakPolarHBondContact O-CG 3.25Å; P592-Y594 HydrophobicContact CB-CD2 4.41Å; P592-Y594 HydrophobicContact CB-CE2 3.88Å; P592-Y594 HydrophobicContact CG-CE2 3.71Å; P592-P787 HydrophobicContact CB-CB 3.88Å
593	V	89	Confident	91.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.2	161.6	-177.7	0	0	0	0	107.6	Y540 L541 F595 L690 V788 T790 I794	Y540-V593 HydrophobicContact CE1-CG1 4.3Å; L541-V593 HydrophobicContact CD2-CB 3.86Å; L541-V593 HydrophobicContact CD2-CG1 3.96Å; L541-V593 HydrophobicContact CD2-CG2 3.86Å; V593-F595 HydrophobicContact CB-CE2 4.11Å; V593-F595 HydrophobicContact CB-CZ 4.49Å; V593-F595 HydrophobicContact CG1-CE1 4.49Å; V593-F595 HydrophobicContact CG1-CE2 3.79Å; V593-F595 HydrophobicContact CG1-CZ 3.78Å; V593-L690 HydrophobicContact CG1-CD1 4.35Å; V593-V788 PolarHBondContact N-O 3.44Å; V593-V788 PolarHBondContact O-N 2.88Å; V593-T790 HydrophobicContact CG2-CG2 4.26Å; V593-I794 HydrophobicContact CG1-CD1 4.35Å; V593-I794 HydrophobicContact CG1-CG1 4.35Å; V593-I794 HydrophobicContact CG2-CG1 4.27Å
594	Y	88.2	Confident	91.7	Very high	10 Å²	10	14.6 Å²	14.6	4%	0.039	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.6	-173.4	-66.7	-92.7	0	0	0	111.4	D427 R450 P592 P785 P787	D427-Y594 PolarHBondContact OD1-OH 3.2Å; R450-Y594 HydrophobicContact CB-CD2 3.96Å; R450-Y594 HydrophobicContact CB-CE2 4.24Å; R450-Y594 VanDerWaalsContact O-CE2 3.32Å; R450-Y594 WeakPolarHBondContact O-CE2 3.31Å; P592-Y594 HydrophobicContact CB-CD2 4.41Å; P592-Y594 HydrophobicContact CB-CE2 3.88Å; P592-Y594 HydrophobicContact CG-CE2 3.71Å; Y594-P785 HydrophobicContact CD1-CB 4.01Å; Y594-P785 HydrophobicContact CD1-CG 3.92Å; Y594-P787 HydrophobicContact CD1-CB 3.88Å; Y594-P787 HydrophobicContact CE1-CB 3.78Å; Y594-P787 HydrophobicContact CE1-CG 4.48Å
595	F	89.6	Confident	91.2	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.6	175	-62.7	-85.2	0	0	0	110.9	L537 Y540 L541 V593 I597 L617 I682 L690 P785 L786 V788	L537-F595 HydrophobicContact CD1-CD1 4.06Å; L537-F595 HydrophobicContact CD1-CD2 4.2Å; L537-F595 HydrophobicContact CD1-CE1 4.03Å; L537-F595 HydrophobicContact CD1-CE2 4.17Å; L537-F595 HydrophobicContact CD1-CG 4.14Å; L537-F595 HydrophobicContact CD1-CZ 4.08Å; L537-F595 HydrophobicContact CD2-CE2 4.24Å; L537-F595 HydrophobicContact CD2-CZ 4.17Å; L537-F595 HydrophobicContact CG-CE1 4.04Å; L537-F595 HydrophobicContact CG-CE2 4.26Å; L537-F595 HydrophobicContact CG-CZ 3.86Å; Y540-F595 AromaticContact CD1-CE1 3.77Å; Y540-F595 HydrophobicContact CD1-CE1 3.77Å; Y540-F595 AromaticContact CD1-CZ 3.9Å; Y540-F595 HydrophobicContact CD1-CZ 3.9Å; Y540-F595 HydrophobicContact CE1-CE1 4.07Å; Y540-F595 HydrophobicContact CE1-CZ 4.26Å; L541-F595 HydrophobicContact CD2-CE2 3.96Å; L541-F595 HydrophobicContact CD2-CZ 3.67Å; L541-F595 HydrophobicContact CG-CE2 4.5Å; L541-F595 HydrophobicContact CG-CZ 4.09Å; V593-F595 HydrophobicContact CB-CE2 4.11Å; V593-F595 HydrophobicContact CB-CZ 4.49Å; V593-F595 HydrophobicContact CG1-CE1 4.49Å; V593-F595 HydrophobicContact CG1-CE2 3.79Å; V593-F595 HydrophobicContact CG1-CZ 3.78Å; F595-I597 PolarHBondContact O-N 3.06Å; F595-L617 HydrophobicContact CB-CD1 3.86Å; F595-I682 HydrophobicContact CD1-CD1 3.52Å; F595-I682 HydrophobicContact CE1-CD1 3.86Å; F595-L690 HydrophobicContact CD1-CD2 3.96Å; F595-L690 HydrophobicContact CE1-CD2 3.97Å; F595-P785 CarbonylContact O-C 3.47Å; F595-P785 WeakPolarHBondContact O-CA 3.33Å; F595-L786 PolarHBondContact N-O 2.98Å; F595-L786 PolarHBondContact O-N 2.9Å; F595-V788 HydrophobicContact CD2-CB 4.37Å; F595-V788 HydrophobicContact CD2-CG2 3.95Å; F595-V788 HydrophobicContact CE2-CB 4.06Å; F595-V788 HydrophobicContact CE2-CG2 4.03Å
596	N	88.5	Confident	90.3	Very high	9 Å²	9	20 Å²	20	5%	0.048	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.3	173.9	-82.8	-55.3	0	0	0	110.9	L447 Y598 L690 N691	L447-N596 HydrophobicContact CD1-CB 4.45Å; L447-N596 VanDerWaalsContact CD1-CG 3.5Å; L447-N596 WeakPolarHBondContact CD1-ND2 3.38Å; N596-Y598 HydrophobicContact CB-CD2 4.25Å; N596-Y598 HydrophobicContact CB-CE2 3.64Å; N596-Y598 WeakPolarHBondContact O-CD2 3.31Å; N596-L690 PolarHBondContact ND2-O 3.05Å; N596-N691 WeakPolarHBondContact ND2-CA 3.49Å; N596-N691 PolarHBondContact ND2-OD1 3.23Å
597	I	91.9	Very high	89	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-75.5	130.3	161.9	-56.2	178.8	0	0	0	107.4	A484 Y487 F595 V615 L617 C751 L784 L786	A484-I597 HydrophobicContact CB-CD1 4.13Å; A484-I597 HydrophobicContact CB-CG1 4.11Å; A484-I597 HydrophobicContact CB-CG2 4.45Å; Y487-I597 HydrophobicContact CD1-CD1 4.04Å; F595-I597 PolarHBondContact O-N 3.06Å; I597-V615 HydrophobicContact CG2-CB 3.69Å; I597-V615 HydrophobicContact CG2-CG1 4.12Å; I597-V615 HydrophobicContact CG2-CG2 4.18Å; I597-L617 HydrophobicContact CG1-CD1 4.12Å; I597-C751 HydrophobicContact CB-CB 4.02Å; I597-C751 HydrophobicContact CG2-CB 3.93Å; I597-C751 WeakPolarHBondContact O-CB 3.34Å; I597-C751 PolarHBondContact O-N 2.93Å; I597-L784 HydrophobicContact CD1-CD2 4.12Å; I597-L784 HydrophobicContact CD1-CG 4.18Å; I597-L786 HydrophobicContact CD1-CB 4.23Å; I597-L786 HydrophobicContact CG1-CB 4.14Å
598	Y	92.3	Very high	88	Confident	1 Å²	1	33 Å²	33	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.6	176.1	-72.7	-87.5	0	0	0	110.5	N596 V615 F616 A681 N691 L693 I748 P750	N596-Y598 HydrophobicContact CB-CD2 4.25Å; N596-Y598 HydrophobicContact CB-CE2 3.64Å; N596-Y598 WeakPolarHBondContact O-CD2 3.31Å; Y598-V615 CarbonylContact O-C 3.59Å; Y598-V615 WeakPolarHBondContact O-CA 3.41Å; Y598-F616 HydrophobicContact CG-CZ 4.17Å; Y598-F616 PolarHBondContact N-O 3.11Å; Y598-F616 PolarHBondContact O-N 3.45Å; Y598-A681 HydrophobicContact CD2-CB 3.81Å; Y598-A681 HydrophobicContact CE2-CB 3.7Å; Y598-N691 PolarHBondContact OH-O 3.11Å; Y598-L693 HydrophobicContact CD1-CD1 3.89Å; Y598-L693 HydrophobicContact CD1-CD2 3.82Å; Y598-L693 HydrophobicContact CD1-CG 3.98Å; Y598-L693 HydrophobicContact CD2-CD2 3.72Å; Y598-L693 HydrophobicContact CE1-CD1 3.87Å; Y598-L693 HydrophobicContact CE1-CD2 3.64Å; Y598-L693 HydrophobicContact CE1-CG 3.56Å; Y598-L693 HydrophobicContact CE2-CD2 3.53Å; Y598-L693 HydrophobicContact CE2-CG 4.31Å; Y598-L693 HydrophobicContact CG-CD2 3.85Å; Y598-L693 VanDerWaalsContact CZ-CD2 3.48Å; Y598-I748 HydrophobicContact CD1-CG2 4.24Å; Y598-P750 HydrophobicContact CE1-CG 4.22Å
599	F	93.1	Very high	87.6	Confident	38 Å²	38	38.6 Å²	38.6	17%	0.167	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.6	173.8	177.2	-94.5	0	0	0	109.8	K601 E613 V615 I748 S749 C751	F599-K601 HydrophobicContact CE1-CB 4.13Å; F599-E613 HydrophobicContact CE2-CB 3.82Å; F599-E613 HydrophobicContact CE2-CG 4.32Å; F599-E613 HydrophobicContact CZ-CB 3.73Å; F599-E613 HydrophobicContact CZ-CG 3.73Å; F599-V615 HydrophobicContact CD2-CG1 4.16Å; F599-I748 WeakPolarHBondContact O-CA 3.25Å; F599-S749 PolarHBondContact N-O 2.83Å; F599-S749 PolarHBondContact O-N 3.12Å; F599-C751 HydrophobicContact CB-CB 4.18Å
600	V	94.4	Very high	87.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.9	176	60.8	0	0	0	0	111	I602 D614 F616 L620 L732 I746 E747 I748	V600-I602 HydrophobicContact CG2-CG1 4Å; V600-D614 HydrophobicContact CG1-CB 4.27Å; V600-D614 WeakPolarHBondContact CG1-O 3.4Å; V600-D614 PolarHBondContact N-O 3.3Å; V600-D614 PolarHBondContact O-N 2.8Å; V600-F616 HydrophobicContact CB-CD1 4.25Å; V600-F616 HydrophobicContact CB-CE1 4.28Å; V600-F616 HydrophobicContact CG1-CD1 4.11Å; V600-L620 HydrophobicContact CG2-CD1 4.2Å; V600-L732 HydrophobicContact CG1-CD1 3.91Å; V600-L732 HydrophobicContact CG1-CD2 4.26Å; V600-I746 HydrophobicContact CG2-CB 4.24Å; V600-I746 HydrophobicContact CG2-CG2 4.37Å; V600-E747 WeakPolarHBondContact CA-O 3.35Å; V600-I748 HydrophobicContact CB-CG1 4.29Å; V600-I748 HydrophobicContact CG2-CG1 3.96Å
601	K	94.9	Very high	87.4	Confident	75 Å²	75	43.3 Å²	43.3	33%	0.326	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120	170.4	-177.1	167.1	-174	150.5	0	109.8	F599 E613 I746 E747	F599-K601 HydrophobicContact CE1-CB 4.13Å; K601-E613 IonicContact NZ-OE1 2.72Å; K601-I746 CarbonylContact O-C 3.55Å; K601-I746 VanDerWaalsContact O-CA 3.3Å; K601-I746 WeakPolarHBondContact O-CA 3.36Å; K601-E747 HydrophobicContact CB-CB 4.44Å; K601-E747 PolarHBondContact N-O 3.23Å; K601-E747 PolarHBondContact O-N 2.68Å
602	I	93.8	Very high	87.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.4	-172.1	-53.4	171.3	0	0	0	108.7	V600 F604 P611 V612 L730 Y740 V743 I746	V600-I602 HydrophobicContact CG2-CG1 4Å; I602-F604 HydrophobicContact CG2-CE1 4.11Å; I602-F604 HydrophobicContact CG2-CE2 4.37Å; I602-F604 HydrophobicContact CG2-CZ 3.89Å; I602-P611 CarbonylContact O-C 3.07Å; I602-P611 WeakPolarHBondContact O-CA 3.17Å; I602-P611 WeakPolarHBondContact O-CB 3.43Å; I602-V612 PolarHBondContact N-O 2.88Å; I602-V612 PolarHBondContact O-N 3.35Å; I602-L730 HydrophobicContact CD1-CD2 3.63Å; I602-L730 HydrophobicContact CG1-CD2 3.83Å; I602-L730 HydrophobicContact CG2-CD2 4.5Å; I602-Y740 HydrophobicContact CD1-CD1 4.01Å; I602-Y740 HydrophobicContact CD1-CD2 3.5Å; I602-Y740 VanDerWaalsContact CD1-CD2 3.5Å; I602-Y740 HydrophobicContact CD1-CE1 4.13Å; I602-Y740 HydrophobicContact CD1-CE2 3.63Å; I602-Y740 HydrophobicContact CD1-CG 3.68Å; I602-V743 HydrophobicContact CG2-CB 4.35Å; I602-V743 HydrophobicContact CG2-CG1 3.7Å; I602-V743 HydrophobicContact CG2-CG2 3.69Å; I602-I746 HydrophobicContact CG1-CG2 4.45Å
603	T	92.9	Very high	87.7	Confident	50 Å²	50	49.9 Å²	49.9	31%	0.307	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.6	177.6	-51.9	0	0	0	0	110.1	Q744 S745	T603-Q744 PolarHBondContact O-N 2.96Å; T603-S745 PolarHBondContact N-O 2.86Å; T603-S745 PolarHBondContact O-N 3.46Å; T603-S745 VanDerWaalsContact O-N 3.17Å
604	F	91.1	Very high	87.9	Confident	19 Å²	19	50.1 Å²	50.1	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	160.7	-175.7	-59.4	-80.1	0	0	0	112.7	I602 S606 K609 V612 Y740 K741 H742 V743	I602-F604 HydrophobicContact CG2-CE1 4.11Å; I602-F604 HydrophobicContact CG2-CE2 4.37Å; I602-F604 HydrophobicContact CG2-CZ 3.89Å; F604-S606 PolarHBondContact O-N 3.44Å; F604-K609 HydrophobicContact CB-CB 4.09Å; F604-K609 HydrophobicContact CD2-CB 3.94Å; F604-K609 HydrophobicContact CD2-CD 4.36Å; F604-K609 HydrophobicContact CG-CB 4.22Å; F604-K609 HydrophobicContact CG-CD 4.23Å; F604-V612 HydrophobicContact CE2-CB 4.15Å; F604-V612 HydrophobicContact CE2-CG2 3.79Å; F604-V612 HydrophobicContact CZ-CB 4.4Å; F604-V612 HydrophobicContact CZ-CG2 4.17Å; F604-Y740 HydrophobicContact CZ-CD1 4.11Å; F604-K741 WeakPolarHBondContact CD1-O 3.23Å; F604-H742 WeakPolarHBondContact CA-O 3.41Å; F604-V743 HydrophobicContact CD1-CG2 4.32Å; F604-V743 HydrophobicContact CE1-CG2 4.12Å
605	N	84.2	Confident	88.1	Confident	64 Å²	64	49.7 Å²	49.7	34%	0.342	26%	0.262	S	S	.	.	S	Bend	trans	-72.1	-16.1	176.5	-164.5	38.1	0	0	0	113.4	H742 Q744	N605-H742 PolarHBondContact N-O 3.16Å; N605-Q744 HydrophobicContact CB-CB 4.26Å; N605-Q744 PolarHBondContact OD1-NE2 3.43Å
606	S	78.6	Confident	88.3	Confident	54 Å²	54	49.6 Å²	49.6	38%	0.378	26%	0.262	S	S	.	.	S	Bend	trans	-90.1	124.4	175	-169.6	0	0	0	0	111	F604 T608 K609	F604-S606 PolarHBondContact O-N 3.44Å; S606-T608 PolarHBondContact O-N 3.4Å; S606-T608 VanDerWaalsContact O-N 3.08Å; S606-T608 PolarHBondContact OG-N 3.22Å; S606-T608 PolarHBondContact OG-OG1 2.91Å; S606-K609 PolarHBondContact O-N 2.97Å; S606-K609 VanDerWaalsContact O-N 3.15Å
607	M	67.7	Low	88.5	Confident	182 Å²	182	49.2 Å²	49.2	90%	0.897	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.3	174.6	-62.4	-63.7	177.8	0	0	113.7
608	T	71.1	Confident	88.5	Confident	120 Å²	120	49.3 Å²	49.3	74%	0.736	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.2	177.3	60	0	0	0	0	114.4	S606	S606-T608 PolarHBondContact O-N 3.4Å; S606-T608 VanDerWaalsContact O-N 3.08Å; S606-T608 PolarHBondContact OG-N 3.22Å; S606-T608 PolarHBondContact OG-OG1 2.91Å
609	K	82.9	Confident	88.4	Confident	126 Å²	126	49.3 Å²	49.3	55%	0.548	26%	0.261	S	S	.	.	S	Bend	trans	-99.8	116.7	177.2	-82.7	-167.7	172.1	-172.4	0	110.1	F604 S606	F604-K609 HydrophobicContact CB-CB 4.09Å; F604-K609 HydrophobicContact CD2-CB 3.94Å; F604-K609 HydrophobicContact CD2-CD 4.36Å; F604-K609 HydrophobicContact CG-CB 4.22Å; F604-K609 HydrophobicContact CG-CD 4.23Å; S606-K609 PolarHBondContact O-N 2.97Å; S606-K609 VanDerWaalsContact O-N 3.15Å
610	D	85.6	Confident	88.5	Confident	87 Å²	87	47.5 Å²	47.5	47%	0.465	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-56.4	148	170.9	-64.1	-76.3	0	0	0	111.8	R355	R355-D610 IonicContact CZ-OD2 2.68Å; R355-D610 IonicContact NH1-OD1 2.63Å; R355-D610 IonicContact NH1-OD2 3.24Å; R355-D610 PolarHBondContact NH1-OD2 3.37Å; R355-D610 IonicContact NH2-OD2 3.02Å; R355-D610 PolarHBondContact NH2-OD2 3.49Å
611	P	88.3	Confident	88.4	Confident	64 Å²	64	50.7 Å²	50.7	42%	0.416	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-64.2	140.4	175.9	28	-34.8	0	0	0	110.7	I602	I602-P611 CarbonylContact O-C 3.07Å; I602-P611 WeakPolarHBondContact O-CA 3.17Å; I602-P611 WeakPolarHBondContact O-CB 3.43Å
612	V	92.3	Very high	88.2	Confident	49 Å²	49	47.4 Å²	47.4	30%	0.297	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.6	177.4	169	0	0	0	0	109.6	I602 F604 Y740	I602-V612 PolarHBondContact N-O 2.88Å; I602-V612 PolarHBondContact O-N 3.35Å; F604-V612 HydrophobicContact CE2-CB 4.15Å; F604-V612 HydrophobicContact CE2-CG2 3.79Å; F604-V612 HydrophobicContact CZ-CB 4.4Å; F604-V612 HydrophobicContact CZ-CG2 4.17Å; V612-Y740 HydrophobicContact CG1-CE1 3.83Å
613	E	91.6	Very high	88	Confident	99 Å²	99	50 Å²	50	46%	0.463	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.9	176.5	-62.5	-174.5	162.7	0	0	108.4	F599 K601	F599-E613 HydrophobicContact CE2-CB 3.82Å; F599-E613 HydrophobicContact CE2-CG 4.32Å; F599-E613 HydrophobicContact CZ-CB 3.73Å; F599-E613 HydrophobicContact CZ-CG 3.73Å; K601-E613 IonicContact NZ-OE1 2.72Å
614	D	92.4	Very high	87.7	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	174.2	177.5	-156.3	6.1	0	0	0	110.7	K485 V600 L732 R738 Y740	K485-D614 VanDerWaalsContact CD-OD1 3.3Å; K485-D614 WeakPolarHBondContact CD-OD1 3.39Å; K485-D614 WeakPolarHBondContact CE-OD1 3.28Å; K485-D614 IonicContact NZ-OD1 3.14Å; K485-D614 PolarHBondContact NZ-OD1 3.4Å; K485-D614 IonicContact NZ-OD2 2.7Å; K485-D614 PolarHBondContact NZ-OD2 3.42Å; V600-D614 HydrophobicContact CG1-CB 4.27Å; V600-D614 WeakPolarHBondContact CG1-O 3.4Å; V600-D614 PolarHBondContact N-O 3.3Å; V600-D614 PolarHBondContact O-N 2.8Å; D614-L732 HydrophobicContact CB-CD1 4.06Å; D614-R738 VanDerWaalsContact CG-NH2 3.26Å; D614-R738 IonicContact OD1-NH2 3.7Å; D614-R738 PolarHBondContact OD1-NH2 2.93Å; D614-R738 IonicContact OD2-CZ 2.7Å; D614-R738 IonicContact OD2-NE 3.09Å; D614-R738 PolarHBondContact OD2-NE 3.44Å; D614-R738 IonicContact OD2-NH2 3.86Å; D614-R738 PolarHBondContact OD2-NH2 2.95Å; D614-Y740 PolarHBondContact OD2-OH 2.85Å
615	V	93.6	Very high	87.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.7	179.1	-64.7	0	0	0	0	112	K485 Y488 I597 Y598 F599 R738	K485-V615 HydrophobicContact CB-CG2 4.02Å; K485-V615 HydrophobicContact CG-CG2 4.29Å; Y488-V615 HydrophobicContact CD1-CG1 4.08Å; Y488-V615 HydrophobicContact CD1-CG2 4.24Å; Y488-V615 HydrophobicContact CD2-CG1 4.12Å; Y488-V615 HydrophobicContact CE1-CG1 4.35Å; Y488-V615 HydrophobicContact CE2-CG1 4.39Å; Y488-V615 HydrophobicContact CG-CG1 3.96Å; Y488-V615 HydrophobicContact CG-CG2 4.2Å; I597-V615 HydrophobicContact CG2-CB 3.69Å; I597-V615 HydrophobicContact CG2-CG1 4.12Å; I597-V615 HydrophobicContact CG2-CG2 4.18Å; Y598-V615 CarbonylContact O-C 3.59Å; Y598-V615 WeakPolarHBondContact O-CA 3.41Å; F599-V615 HydrophobicContact CD2-CG1 4.16Å; V615-R738 PolarHBondContact O-NH2 2.74Å
616	F	94.1	Very high	86.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	163.9	176.7	74.8	-84.7	0	0	0	111.5	Y598 V600 L620 A681 L693 L732 D733 I748	Y598-F616 HydrophobicContact CG-CZ 4.17Å; Y598-F616 PolarHBondContact N-O 3.11Å; Y598-F616 PolarHBondContact O-N 3.45Å; V600-F616 HydrophobicContact CB-CD1 4.25Å; V600-F616 HydrophobicContact CB-CE1 4.28Å; V600-F616 HydrophobicContact CG1-CD1 4.11Å; F616-L620 HydrophobicContact CD1-CD1 4.08Å; F616-L620 HydrophobicContact CD2-CB 4.14Å; F616-L620 HydrophobicContact CE1-CB 4.42Å; F616-L620 HydrophobicContact CE1-CD1 3.7Å; F616-L620 HydrophobicContact CE2-CB 3.94Å; F616-L620 HydrophobicContact CG-CB 4.48Å; F616-L620 HydrophobicContact CZ-CB 4.09Å; F616-L620 HydrophobicContact CZ-CD1 4.03Å; F616-A681 HydrophobicContact CE2-CB 4.3Å; F616-L693 HydrophobicContact CE2-CD2 4.3Å; F616-L693 HydrophobicContact CZ-CD2 4.22Å; F616-L732 HydrophobicContact CB-CB 4.35Å; F616-L732 HydrophobicContact CB-CD2 4.36Å; F616-L732 HydrophobicContact CD1-CD2 4.44Å; F616-D733 VanDerWaalsContact CA-OD2 3.29Å; F616-D733 WeakPolarHBondContact CA-OD2 3.46Å; F616-D733 WeakPolarHBondContact CB-OD2 3.36Å; F616-I748 HydrophobicContact CE1-CD1 4.26Å; F616-I748 HydrophobicContact CE1-CG1 4.35Å; F616-I748 HydrophobicContact CE1-CG2 3.78Å; F616-I748 HydrophobicContact CZ-CD1 4.29Å; F616-I748 HydrophobicContact CZ-CG2 3.92Å
617	L	92.3	Very high	86.5	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.262	C	S	.	.	S	Bend	trans	-128.3	-39.4	-173.1	-172.7	76.3	0	0	0	113.6	V480 A484 L537 F595 I597 A681 D733 L786	V480-L617 HydrophobicContact CB-CD2 4.07Å; V480-L617 HydrophobicContact CG1-CD2 3.48Å; V480-L617 VanDerWaalsContact CG1-CD2 3.48Å; A484-L617 HydrophobicContact CB-CB 3.85Å; A484-L617 HydrophobicContact CB-CD1 4.23Å; A484-L617 HydrophobicContact CB-CD2 4.3Å; A484-L617 HydrophobicContact CB-CG 4.36Å; L537-L617 HydrophobicContact CD1-CD2 3.79Å; L537-L617 HydrophobicContact CD1-CG 4.45Å; F595-L617 HydrophobicContact CB-CD1 3.86Å; I597-L617 HydrophobicContact CG1-CD1 4.12Å; L617-A681 WeakPolarHBondContact O-CB 3.47Å; L617-D733 PolarHBondContact N-OD1 3.28Å; L617-L786 HydrophobicContact CD1-CB 4.27Å; L617-L786 HydrophobicContact CD1-CD2 4.24Å; L617-L786 HydrophobicContact CD2-CD2 3.67Å
618	T	90.7	Very high	86.3	Confident	1 Å²	1	46 Å²	46	1%	0.006	24%	0.237	C	C	.	.	S	Bend	trans	-106.5	-54.3	-169.9	60.4	0	0	0	0	112.2	D477 L537 A681 I682 D733	D477-T618 HydrophobicContact CB-CG2 4.11Å; L537-T618 HydrophobicContact CB-CG2 4.4Å; L537-T618 HydrophobicContact CD1-CG2 4.42Å; T618-A681 PolarHBondContact O-N 3.31Å; T618-I682 HydrophobicContact CG2-CG1 4.26Å; T618-D733 PolarHBondContact N-OD1 3.06Å; T618-D733 PolarHBondContact OG1-OD1 3.13Å
619	N	91.6	Very high	85.5	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	149.1	-168	179.2	-89.1	0	0	0	111.7	Q678 I679 N680 D733 K734	N619-Q678 WeakPolarHBondContact ND2-CG 3.41Å; N619-Q678 PolarHBondContact ND2-NE2 3.07Å; N619-I679 CarbonylContact C-O 3.51Å; N619-I679 WeakPolarHBondContact CA-O 3.22Å; N619-N680 PolarHBondContact ND2-OD1 2.92Å; N619-D733 PolarHBondContact O-N 2.86Å; N619-K734 HydrophobicContact CB-CG 4.43Å
620	L	93.6	Very high	84.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	125.7	166.4	173.2	162.9	0	0	0	108.6	V600 F616 I622 I679 L730 T731 L732 I746 I748	V600-L620 HydrophobicContact CG2-CD1 4.2Å; F616-L620 HydrophobicContact CD1-CD1 4.08Å; F616-L620 HydrophobicContact CD2-CB 4.14Å; F616-L620 HydrophobicContact CE1-CB 4.42Å; F616-L620 HydrophobicContact CE1-CD1 3.7Å; F616-L620 HydrophobicContact CE2-CB 3.94Å; F616-L620 HydrophobicContact CG-CB 4.48Å; F616-L620 HydrophobicContact CZ-CB 4.09Å; F616-L620 HydrophobicContact CZ-CD1 4.03Å; L620-I622 HydrophobicContact CD2-CD1 4.2Å; L620-I622 HydrophobicContact CD2-CG1 3.82Å; L620-I679 HydrophobicContact CB-CB 4.32Å; L620-I679 HydrophobicContact CD2-CB 4.32Å; L620-I679 HydrophobicContact CD2-CD1 4.01Å; L620-I679 HydrophobicContact CD2-CG1 4.24Å; L620-I679 PolarHBondContact N-O 2.06Å; L620-I679 PolarHBondContact O-N 3.47Å; L620-L730 HydrophobicContact CD1-CD1 3.99Å; L620-L730 HydrophobicContact CD2-CD1 3.45Å; L620-L730 VanDerWaalsContact CD2-CD1 3.45Å; L620-L730 HydrophobicContact CG-CD1 3.61Å; L620-L730 HydrophobicContact CG-CG 4.43Å; L620-T731 WeakPolarHBondContact CA-O 3.47Å; L620-L732 HydrophobicContact CB-CD2 4.11Å; L620-L732 HydrophobicContact CD1-CD2 3.62Å; L620-L732 HydrophobicContact CG-CD2 3.72Å; L620-I746 HydrophobicContact CD1-CD1 4.47Å; L620-I746 HydrophobicContact CD2-CD1 4.15Å; L620-I748 HydrophobicContact CD1-CD1 3.56Å; L620-I748 HydrophobicContact CD1-CG1 4.28Å; L620-I748 HydrophobicContact CD2-CD1 4.46Å
621	E	92.4	Very high	82.2	Confident	67 Å²	67	44.4 Å²	44.4	31%	0.313	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.8	-177.1	-172.7	170	-141.8	0	0	111.2	E623 L730 T731	E621-E623 HydrophobicContact CG-CG 4.16Å; E621-L730 CarbonylContact O-C 3.58Å; E621-L730 WeakPolarHBondContact O-CA 3.42Å; E621-T731 PolarHBondContact N-O 3.39Å; E621-T731 PolarHBondContact O-N 2.82Å
622	I	92.1	Very high	80	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.9	179.5	-60.8	179	0	0	0	108.1	L620 F624 G676 A677 I720 F728 L730 I746	L620-I622 HydrophobicContact CD2-CD1 4.2Å; L620-I622 HydrophobicContact CD2-CG1 3.82Å; I622-F624 HydrophobicContact CG2-CE2 4.17Å; I622-G676 CarbonylContact O-C 3.45Å; I622-G676 WeakPolarHBondContact O-CA 3.42Å; I622-A677 HydrophobicContact CB-CB 4.18Å; I622-A677 HydrophobicContact CD1-CB 4.34Å; I622-A677 PolarHBondContact N-O 3.28Å; I622-A677 PolarHBondContact O-N 2.73Å; I622-I720 HydrophobicContact CD1-CD1 3.81Å; I622-F728 HydrophobicContact CD1-CE2 4.47Å; I622-F728 HydrophobicContact CG1-CD2 4.48Å; I622-F728 HydrophobicContact CG1-CE2 4.4Å; I622-F728 HydrophobicContact CG2-CB 3.96Å; I622-F728 HydrophobicContact CG2-CD2 3.64Å; I622-F728 HydrophobicContact CG2-CE2 4.19Å; I622-F728 HydrophobicContact CG2-CG 3.83Å; I622-L730 HydrophobicContact CG1-CD1 3.9Å; I622-I746 HydrophobicContact CD1-CD1 3.66Å; I622-I746 HydrophobicContact CG1-CD1 4.41Å
623	E	89.9	Confident	77.5	Confident	53 Å²	53	46.1 Å²	46.1	25%	0.248	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.9	177.7	-63.4	-175.7	98.9	0	0	111.3	E621 K628 F728 T729	E621-E623 HydrophobicContact CG-CG 4.16Å; E623-K628 IonicContact OE1-NZ 3.44Å; E623-K628 PolarHBondContact OE1-NZ 2.99Å; E623-K628 WeakPolarHBondContact OE2-CE 3.42Å; E623-K628 IonicContact OE2-NZ 3.64Å; E623-K628 PolarHBondContact OE2-NZ 2.87Å; E623-F728 WeakPolarHBondContact O-CB 2.94Å; E623-T729 PolarHBondContact N-O 3.32Å; E623-T729 PolarHBondContact O-N 2.93Å
624	F	86.6	Confident	75.2	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.018	27%	0.266	C	S	.	.			trans	-97.2	116.4	168.5	-68.9	-85.3	0	0	0	109.1	I622 E626 F627 V650 I652 T674 T675 T722 F728	I622-F624 HydrophobicContact CG2-CE2 4.17Å; F624-E626 PolarHBondContact O-N 3.17Å; F624-E626 VanDerWaalsContact O-N 3.11Å; F624-F627 HydrophobicContact CB-CD2 3.76Å; F624-F627 HydrophobicContact CB-CE2 4.37Å; F624-F627 HydrophobicContact CG-CD2 4.5Å; F624-F627 PolarHBondContact O-N 2.83Å; F624-V650 HydrophobicContact CB-CG2 4.45Å; F624-V650 HydrophobicContact CD1-CB 4.1Å; F624-V650 HydrophobicContact CD1-CG2 3.36Å; F624-V650 HydrophobicContact CD2-CG2 4.34Å; F624-V650 HydrophobicContact CE1-CB 3.73Å; F624-V650 HydrophobicContact CE1-CG1 3.96Å; F624-V650 HydrophobicContact CE1-CG2 3.52Å; F624-V650 HydrophobicContact CE2-CB 4.41Å; F624-V650 HydrophobicContact CE2-CG2 4.47Å; F624-V650 HydrophobicContact CG-CG2 3.79Å; F624-V650 HydrophobicContact CZ-CB 3.91Å; F624-V650 HydrophobicContact CZ-CG1 4.33Å; F624-V650 HydrophobicContact CZ-CG2 4.1Å; F624-I652 HydrophobicContact CZ-CG2 3.85Å; F624-T674 HydrophobicContact CE2-CG2 4.3Å; F624-T675 WeakPolarHBondContact CD2-O 3.41Å; F624-T722 HydrophobicContact CE1-CG2 3.89Å; F624-T722 HydrophobicContact CZ-CG2 4.2Å; F624-F728 HydrophobicContact CD1-CB 3.95Å; F624-F728 HydrophobicContact CE1-CB 3.76Å; F624-F728 HydrophobicContact CE1-CD1 4.29Å; F624-F728 HydrophobicContact CE1-CG 4.49Å; F624-F728 HydrophobicContact CG-CB 4.46Å; F624-F728 HydrophobicContact CZ-CB 4.1Å; F624-F728 HydrophobicContact CZ-CD1 4.38Å
625	P	78.9	Confident	72.8	Confident	62 Å²	62	54.8 Å²	54.8	40%	0.403	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-53.6	-36.6	-174	-30	36.1	0	0	0	114.4	F627 K628	P625-F627 PolarHBondContact O-N 2.94Å; P625-K628 PolarHBondContact O-N 3.19Å
626	E	75.4	Confident	70	Confident	104 Å²	104	61.8 Å²	61.8	49%	0.486	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-58	-26.2	178	-63.4	166	-157.9	0	0	113.5	F624 R726	F624-E626 PolarHBondContact O-N 3.17Å; F624-E626 VanDerWaalsContact O-N 3.11Å; E626-R726 WeakPolarHBondContact OE2-CD 3.25Å; E626-R726 IonicContact OE2-CZ 3.78Å; E626-R726 IonicContact OE2-NE 3.48Å; E626-R726 IonicContact OE2-NH1 3.35Å; E626-R726 PolarHBondContact OE2-NH1 2.99Å
627	F	73.2	Confident	67.2	Low	29 Å²	29	69.8 Å²	69.8	13%	0.127	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-108.2	-1.3	-174.7	-55.9	-47.3	0	0	0	114.4	F624 P625 H629 I630 A631 G649 V650 T675	F624-F627 HydrophobicContact CB-CD2 3.76Å; F624-F627 HydrophobicContact CB-CE2 4.37Å; F624-F627 HydrophobicContact CG-CD2 4.5Å; F624-F627 PolarHBondContact O-N 2.83Å; P625-F627 PolarHBondContact O-N 2.94Å; F627-H629 VanDerWaalsContact C-N 3.26Å; F627-H629 PolarHBondContact O-N 3.13Å; F627-I630 HydrophobicContact CD1-CD1 3.77Å; F627-I630 PolarHBondContact O-N 2.8Å; F627-A631 PolarHBondContact O-N 2.86Å; F627-G649 VanDerWaalsContact CE2-CA 3.49Å; F627-V650 HydrophobicContact CE2-CG2 3.72Å; F627-T675 HydrophobicContact CB-CG2 4.32Å; F627-T675 HydrophobicContact CD2-CG2 4.1Å; F627-T675 HydrophobicContact CG-CG2 4.15Å
628	K	64.2	Low	64.7	Low	88 Å²	88	79.3 Å²	79.3	38%	0.383	41%	0.41	S	S	.	.	H	α-helix	trans	-53.8	-40.5	177.9	-77	178.5	170.6	-81.7	0	113	E623 P625 I630 A632	E623-K628 IonicContact OE1-NZ 3.44Å; E623-K628 PolarHBondContact OE1-NZ 2.99Å; E623-K628 WeakPolarHBondContact OE2-CE 3.42Å; E623-K628 IonicContact OE2-NZ 3.64Å; E623-K628 PolarHBondContact OE2-NZ 2.87Å; P625-K628 PolarHBondContact O-N 3.19Å; K628-I630 VanDerWaalsContact C-N 3.32Å; K628-I630 PolarHBondContact O-N 2.63Å; K628-A632 PolarHBondContact O-N 3.2Å
629	H	54.8	Low	62.4	Low	157 Å²	157	88 Å²	88	73%	0.727	45%	0.448	S	S	*	.	H	α-helix	trans	-70.8	-25	179.5	-63.2	-71.2	0	0	0	113.8	F627 S633	F627-H629 VanDerWaalsContact C-N 3.26Å; F627-H629 PolarHBondContact O-N 3.13Å; H629-S633 VanDerWaalsContact O-CB 3.32Å; H629-S633 WeakPolarHBondContact O-CB 3.31Å; H629-S633 PolarHBondContact O-N 2.72Å; H629-S633 VanDerWaalsContact O-N 3.15Å
630	I	53	Low	59.6	Low	70 Å²	70	100 Å²	100	36%	0.359	49%	0.493	S	S	.	.	H	α-helix	trans	-73.8	-44.7	179.1	-55.1	-176.7	0	0	0	109.8	F627 K628 A632 S633 M634	F627-I630 HydrophobicContact CD1-CD1 3.77Å; F627-I630 PolarHBondContact O-N 2.8Å; K628-I630 VanDerWaalsContact C-N 3.32Å; K628-I630 PolarHBondContact O-N 2.63Å; I630-A632 VanDerWaalsContact C-N 3.32Å; I630-A632 PolarHBondContact O-N 3Å; I630-S633 PolarHBondContact O-N 3.23Å; I630-M634 HydrophobicContact CG2-CG 4.21Å; I630-M634 HydrophobicContact CG2-SD 4.02Å; I630-M634 WeakPolarHBondContact O-CG 3.36Å; I630-M634 PolarHBondContact O-N 3.48Å
631	A	46.2	Very low	57	Low	72 Å²	72	105.4 Å²	105.4	60%	0.595	53%	0.531	S	S	*	.	H	α-helix	trans	-60.1	-39.6	178.2	0	0	0	0	0	112.8	F627	F627-A631 PolarHBondContact O-N 2.86Å
632	A	40.9	Very low	54.2	Low	70 Å²	70	108.2 Å²	108.2	58%	0.579	56%	0.557	S	S	*	*	H	α-helix	trans	-68.8	-44.5	175	0	0	0	0	0	112.6	K628 I630 M634 K635	K628-A632 PolarHBondContact O-N 3.2Å; I630-A632 VanDerWaalsContact C-N 3.32Å; I630-A632 PolarHBondContact O-N 3Å; A632-M634 PolarHBondContact O-N 3.25Å; A632-K635 PolarHBondContact O-N 3.25Å
633	S	40.9	Very low	51.4	Low	79 Å²	79	111.7 Å²	111.7	55%	0.552	60%	0.595	S	S	*	*	H	α-helix	trans	-70	-28.6	-177	-171	0	0	0	0	113.7	H629 I630 K635 D636	H629-S633 VanDerWaalsContact O-CB 3.32Å; H629-S633 WeakPolarHBondContact O-CB 3.31Å; H629-S633 PolarHBondContact O-N 2.72Å; H629-S633 VanDerWaalsContact O-N 3.15Å; I630-S633 PolarHBondContact O-N 3.23Å; S633-K635 VanDerWaalsContact C-N 3.27Å; S633-K635 PolarHBondContact O-N 2.92Å; S633-D636 PolarHBondContact O-N 2.89Å
634	M	42.9	Very low	48.7	Very low	144 Å²	144	114.1 Å²	114.1	71%	0.709	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-16.5	179.6	-73.5	-169.5	82.9	0	0	114.3	I630 A632	I630-M634 HydrophobicContact CG2-CG 4.21Å; I630-M634 HydrophobicContact CG2-SD 4.02Å; I630-M634 WeakPolarHBondContact O-CG 3.36Å; I630-M634 PolarHBondContact O-N 3.48Å; A632-M634 PolarHBondContact O-N 3.25Å
635	K	40.6	Very low	46.6	Very low	142 Å²	142	117.9 Å²	117.9	62%	0.617	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-19.9	176.3	-80.9	-173.6	170	-178	0	114.4	S530 A632 S633	S530-K635 PolarHBondContact OG-NZ 3.18Å; A632-K635 PolarHBondContact O-N 3.25Å; S633-K635 VanDerWaalsContact C-N 3.27Å; S633-K635 PolarHBondContact O-N 2.92Å
636	D	35.3	Very low	45.1	Very low	147 Å²	147	122.8 Å²	122.8	79%	0.786	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-4.7	-164.2	-115.6	-18.7	0	0	0	115.9	S633	S633-D636 PolarHBondContact O-N 2.89Å
637	K	35.1	Very low	44.1	Very low	168 Å²	168	122.8 Å²	122.8	73%	0.73	68%	0.682	S	S	*	*			trans	-140.5	87.3	-177	-72.2	-173.6	179.9	163.4	0	116.1	K639	K637-K639 PolarHBondContact O-N 3.36Å
638	H	40.8	Very low	43.9	Very low	201 Å²	201	123.3 Å²	123.3	93%	0.931	69%	0.689	S	S	*	*			trans	-72.9	66.8	150.5	-91.7	-31	0	0	0	111.9
639	K	41.3	Very low	44.6	Very low	184 Å²	184	119.2 Å²	119.2	80%	0.8	67%	0.672	S	S	*	*			trans	171.3	111.8	150.6	-102.1	168.3	179.8	175.5	0	111	K637	K637-K639 PolarHBondContact O-N 3.36Å
640	R	32.7	Very low	45.9	Very low	253 Å²	253	111.8 Å²	111.8	96%	0.955	64%	0.637	S	S	*	*				-178.3	133.6	117.6	-96.8	167.3	-166.8	-163.9	3.8	109.9
641	S	40	Very low	47.5	Very low	114 Å²	114	110 Å²	110	80%	0.797	63%	0.63	S	S	*	*			trans	-99	130.6	176.3	52.2	0	0	0	0	111.1
642	S	33.3	Very low	49.6	Very low	125 Å²	125	106.8 Å²	106.8	87%	0.874	60%	0.603	S	S	*	*				178.1	151.1	127.7	52	0	0	0	0	111.6
643	G	33.3	Very low	52	Low	80 Å²	80	104.7 Å²	104.7	83%	0.825	58%	0.584	S	S	*	*	S	Bend	trans	88.4	37.2	136.3	0	0	0	0	0	121.7
644	S	33.6	Very low	54.4	Low	104 Å²	104	101 Å²	101	73%	0.727	56%	0.557	S	S	*	*			trans	-171.3	141.2	143.1	-171.7	0	0	0	0	111.4	E646	S644-E646 PolarHBondContact O-N 2.91Å
645	G	43.1	Very low	56.6	Low	82 Å²	82	98.2 Å²	98.2	85%	0.845	55%	0.546	S	S	*	.			trans	-88	41.1	174.8	0	0	0	0	0	113.1	V647	G645-V647 PolarHBondContact O-N 2.89Å
646	E	45.9	Very low	58.9	Low	165 Å²	165	92.3 Å²	92.3	77%	0.771	52%	0.52	S	S	*	.			trans	-79.2	122.1	-172.6	-164	165.1	-153.5	0	0	111.9	S644 C648	S644-E646 PolarHBondContact O-N 2.91Å; E646-C648 PolarHBondContact O-N 2.93Å
647	V	56.3	Low	61.2	Low	105 Å²	105	89.5 Å²	89.5	64%	0.636	50%	0.498	S	S	*	.			trans	-80.1	84.5	-175.7	-166.6	0	0	0	0	109.6	G645	G645-V647 PolarHBondContact O-N 2.89Å
648	C	67.8	Low	63.4	Low	39 Å²	39	86.6 Å²	86.6	26%	0.264	49%	0.485	S	S	.	.			trans	-62	144.9	-175.8	-169.1	0	0	0	0	113.5	E646 R673	E646-C648 PolarHBondContact O-N 2.93Å; C648-R673 VanDerWaalsContact O-CD 3.31Å; C648-R673 WeakPolarHBondContact O-CD 3.35Å
649	G	78.3	Confident	65	Low	3 Å²	3	79.4 Å²	79.4	3%	0.031	45%	0.453	C	S	.	.	S	Bend	trans	106.1	155.3	-179.4	0	0	0	0	0	114.6	F627 R673 T674	F627-G649 VanDerWaalsContact CE2-CA 3.49Å; G649-R673 WeakPolarHBondContact O-CD 3.41Å; G649-R673 VanDerWaalsContact O-CG 3.31Å; G649-R673 WeakPolarHBondContact O-CG 2.98Å; G649-R673 PolarHBondContact O-NH1 2.92Å; G649-T674 CarbonylContact C-O 3.47Å; G649-T674 VanDerWaalsContact CA-O 3.26Å; G649-T674 WeakPolarHBondContact CA-O 3.36Å
650	V	83.1	Confident	66.3	Low	0 Å²	0	73.2 Å²	73.2	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	144.4	176.4	-172.3	0	0	0	0	110.2	F624 F627 I652 R673 T674 T722 E724 R726	F624-V650 HydrophobicContact CB-CG2 4.45Å; F624-V650 HydrophobicContact CD1-CB 4.1Å; F624-V650 HydrophobicContact CD1-CG2 3.36Å; F624-V650 HydrophobicContact CD2-CG2 4.34Å; F624-V650 HydrophobicContact CE1-CB 3.73Å; F624-V650 HydrophobicContact CE1-CG1 3.96Å; F624-V650 HydrophobicContact CE1-CG2 3.52Å; F624-V650 HydrophobicContact CE2-CB 4.41Å; F624-V650 HydrophobicContact CE2-CG2 4.47Å; F624-V650 HydrophobicContact CG-CG2 3.79Å; F624-V650 HydrophobicContact CZ-CB 3.91Å; F624-V650 HydrophobicContact CZ-CG1 4.33Å; F624-V650 HydrophobicContact CZ-CG2 4.1Å; F627-V650 HydrophobicContact CE2-CG2 3.72Å; V650-I652 PolarHBondContact O-N 3.35Å; V650-R673 WeakPolarHBondContact O-CA 3.41Å; V650-T674 PolarHBondContact N-O 2.96Å; V650-T674 PolarHBondContact O-N 3.39Å; V650-T722 HydrophobicContact CG1-CG2 4.41Å; V650-E724 HydrophobicContact CG1-CB 4.3Å; V650-E724 HydrophobicContact CG1-CG 4.35Å; V650-R726 HydrophobicContact CG1-CB 4.36Å
651	V	86.9	Confident	67.8	Low	34 Å²	34	69 Å²	69	21%	0.206	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.8	168.3	-171.5	0	0	0	0	111	A672 R673 L723 E724	V651-A672 WeakPolarHBondContact CA-O 3.29Å; V651-R673 VanDerWaalsContact CG2-CZ 3.48Å; V651-R673 VanDerWaalsContact CG2-NH2 3.34Å; V651-L723 HydrophobicContact CG1-CD1 4.09Å; V651-L723 PolarHBondContact O-N 2.87Å; V651-E724 PolarHBondContact N-OE1 2.85Å
652	I	89.6	Confident	68.7	Low	4 Å²	4	67 Å²	67	2%	0.021	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.9	171.3	61.4	171.4	0	0	0	110.7	F624 V650 M654 S671 A672 T674 L697 I720 R721 T722	F624-I652 HydrophobicContact CZ-CG2 3.85Å; V650-I652 PolarHBondContact O-N 3.35Å; I652-M654 HydrophobicContact CD1-CE 3.76Å; I652-M654 HydrophobicContact CD1-CG 3.94Å; I652-M654 HydrophobicContact CD1-SD 3.69Å; I652-M654 HydrophobicContact CG1-CE 3.98Å; I652-M654 HydrophobicContact CG1-CG 4.29Å; I652-M654 HydrophobicContact CG1-SD 4.41Å; I652-S671 VanDerWaalsContact O-CA 3.29Å; I652-S671 WeakPolarHBondContact O-CA 3.38Å; I652-A672 PolarHBondContact N-O 3.44Å; I652-A672 PolarHBondContact O-N 2.98Å; I652-T674 HydrophobicContact CD1-CG2 3.58Å; I652-T674 HydrophobicContact CG1-CG2 3.95Å; I652-T674 HydrophobicContact CG2-CG2 4.47Å; I652-L697 HydrophobicContact CD1-CD2 4.2Å; I652-I720 HydrophobicContact CB-CG2 4.19Å; I652-I720 HydrophobicContact CD1-CG2 3.93Å; I652-I720 HydrophobicContact CG2-CG2 4.49Å; I652-R721 WeakPolarHBondContact CA-O 3.43Å; I652-T722 HydrophobicContact CG2-CG2 4.3Å
653	S	90.8	Very high	70	Confident	26 Å²	26	64 Å²	64	18%	0.182	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.2	164.7	176.3	0	0	0	0	108.9	I720 R721	S653-I720 WeakPolarHBondContact O-CA 3.29Å; S653-R721 PolarHBondContact N-O 2.77Å; S653-R721 PolarHBondContact O-N 2.95Å
654	M	91.9	Very high	71.6	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.9	178.9	-65	176.2	-83.3	0	0	109.7	I652 G669 I670 A672 L695 L697 K719 I720	I652-M654 HydrophobicContact CD1-CE 3.76Å; I652-M654 HydrophobicContact CD1-CG 3.94Å; I652-M654 HydrophobicContact CD1-SD 3.69Å; I652-M654 HydrophobicContact CG1-CE 3.98Å; I652-M654 HydrophobicContact CG1-CG 4.29Å; I652-M654 HydrophobicContact CG1-SD 4.41Å; M654-G669 WeakPolarHBondContact O-CA 3.44Å; M654-I670 HydrophobicContact CB-CG1 4.03Å; M654-I670 HydrophobicContact CE-CD1 3.72Å; M654-I670 HydrophobicContact CE-CG1 3.89Å; M654-I670 PolarHBondContact N-O 2.82Å; M654-I670 PolarHBondContact O-N 3.45Å; M654-A672 HydrophobicContact CE-CB 3.57Å; M654-L695 HydrophobicContact SD-CD2 3.83Å; M654-L697 HydrophobicContact CE-CD1 3.73Å; M654-L697 HydrophobicContact CE-CD2 4.17Å; M654-L697 HydrophobicContact SD-CD1 4.35Å; M654-L697 HydrophobicContact SD-CD2 4.03Å; M654-K719 WeakPolarHBondContact CA-O 3.33Å; M654-I720 HydrophobicContact CG-CB 4.43Å; M654-I720 HydrophobicContact CG-CD1 4.33Å; M654-I720 HydrophobicContact CG-CG1 4.03Å; M654-I720 HydrophobicContact CG-CG2 4.06Å; M654-I720 HydrophobicContact SD-CD1 4.39Å
655	N	90.1	Very high	73.5	Confident	86 Å²	86	67.4 Å²	67.4	46%	0.46	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.4	168.8	-64.5	-44.3	0	0	0	108	V668 G669 K719	N655-V668 WeakPolarHBondContact CA-O 3.41Å; N655-G669 VanDerWaalsContact OD1-CA 3.25Å; N655-G669 WeakPolarHBondContact OD1-CA 3.38Å; N655-K719 PolarHBondContact N-O 2.92Å; N655-K719 PolarHBondContact O-N 2.9Å
656	Y	87.5	Confident	75.3	Confident	18 Å²	18	67.4 Å²	67.4	7%	0.071	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	150.9	-171.4	70.9	-83.8	0	0	0	111.8	K658 V668 I670 I713 N717	Y656-K658 HydrophobicContact CD2-CB 4.27Å; Y656-K658 HydrophobicContact CE2-CB 3.71Å; Y656-K658 HydrophobicContact CE2-CG 4.19Å; Y656-K658 PolarHBondContact O-N 3.33Å; Y656-V668 HydrophobicContact CD1-CB 4.41Å; Y656-V668 WeakPolarHBondContact CD1-O 3.27Å; Y656-V668 HydrophobicContact CE1-CB 3.91Å; Y656-V668 HydrophobicContact CE1-CG1 3.91Å; Y656-V668 HydrophobicContact CE2-CB 4.34Å; Y656-V668 PolarHBondContact N-O 2.81Å; Y656-V668 PolarHBondContact O-N 3.47Å; Y656-I670 HydrophobicContact CE1-CD1 3.87Å; Y656-I670 HydrophobicContact CE1-CG1 3.97Å; Y656-I670 HydrophobicContact CE1-CG2 4.34Å; Y656-I713 HydrophobicContact CD2-CG2 3.75Å; Y656-I713 HydrophobicContact CE2-CG2 3.29Å; Y656-N717 WeakPolarHBondContact CA-O 3.43Å
657	R	83.9	Confident	77.1	Confident	89 Å²	89	64.6 Å²	64.6	34%	0.336	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	100.6	173.4	-178	165.4	-69.7	-173.6	-0.7	110.6	M659 D665 V666 D667 T715 N717	R657-M659 PolarHBondContact O-N 3.27Å; R657-D665 WeakPolarHBondContact CD-OD2 3.36Å; R657-D665 HydrophobicContact CG-CB 3.68Å; R657-V666 CarbonylContact C-O 3.52Å; R657-D667 WeakPolarHBondContact CB-OD1 3.48Å; R657-D667 IonicContact CZ-OD1 2.74Å; R657-D667 IonicContact NE-OD1 2.7Å; R657-D667 PolarHBondContact NE-OD1 3.13Å; R657-D667 IonicContact NH2-OD1 3.91Å; R657-D667 PolarHBondContact NH2-OD1 3.22Å; R657-D667 IonicContact NH2-OD2 2.89Å; R657-D667 PolarHBondContact NH2-OD2 3.42Å; R657-T715 PolarHBondContact N-OG1 3.08Å; R657-T715 WeakPolarHBondContact O-CA 3.18Å; R657-T715 PolarHBondContact O-OG1 2.81Å; R657-N717 WeakPolarHBondContact CB-OD1 3.23Å; R657-N717 PolarHBondContact N-O 3.48Å; R657-N717 PolarHBondContact N-OD1 2.7Å; R657-N717 VanDerWaalsContact N-OD1 3.17Å
658	K	81.8	Confident	78.5	Confident	106 Å²	106	61.5 Å²	61.5	46%	0.461	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	110.9	176.4	-171.5	175.6	-177.9	176.5	0	109.7	Y656 V666 V668	Y656-K658 HydrophobicContact CD2-CB 4.27Å; Y656-K658 HydrophobicContact CE2-CB 3.71Å; Y656-K658 HydrophobicContact CE2-CG 4.19Å; Y656-K658 PolarHBondContact O-N 3.33Å; K658-V666 PolarHBondContact N-O 3.07Å; K658-V666 PolarHBondContact O-N 2.68Å; K658-V668 HydrophobicContact CB-CG2 3.92Å
659	M	73.4	Confident	79.4	Confident	51 Å²	51	62.1 Å²	62.1	25%	0.251	35%	0.345	S	S	.	.			trans	-74.9	133	170	-89.8	-179.7	158.1	0	0	109.8	R657 D665 C692 R714	R657-M659 PolarHBondContact O-N 3.27Å; M659-D665 WeakPolarHBondContact CG-OD1 3.19Å; M659-C692 HydrophobicContact SD-CB 3.87Å; M659-R714 PolarHBondContact N-O 3.03Å
660	T	68.8	Low	79.9	Confident	53 Å²	53	64.5 Å²	64.5	33%	0.325	36%	0.357	S	S	.	.			trans	-113.2	149.9	169.1	68	0	0	0	0	109.7	S662 G663 R664	T660-S662 PolarHBondContact O-N 3.34Å; T660-S662 PolarHBondContact OG1-OG 2.93Å; T660-G663 PolarHBondContact O-N 3.17Å; T660-R664 PolarHBondContact OG1-N 2.76Å; T660-R664 PolarHBondContact OG1-O 3.34Å
661	L	64.3	Low	80	Confident	165 Å²	165	68.4 Å²	68.4	86%	0.864	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.7	172.8	-63.2	175.5	0	0	0	112.9	G663	L661-G663 VanDerWaalsContact C-N 3.31Å
662	S	60	Low	80	Confident	73 Å²	73	67.7 Å²	67.7	51%	0.51	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.1	174.4	78.8	0	0	0	0	114.8	T660 R664	T660-S662 PolarHBondContact O-N 3.34Å; T660-S662 PolarHBondContact OG1-OG 2.93Å; S662-R664 PolarHBondContact O-N 2.83Å; S662-R664 PolarHBondContact OG-NE 2.6Å
663	G	59.8	Low	79.8	Confident	60 Å²	60	72 Å²	72	62%	0.619	40%	0.398	S	S	*	.	S	Bend	trans	68.8	5.5	-176	0	0	0	0	0	114.7	T660 L661 D665	T660-G663 PolarHBondContact O-N 3.17Å; L661-G663 VanDerWaalsContact C-N 3.31Å; G663-D665 PolarHBondContact O-N 3.04Å
664	R	67.3	Low	79.6	Confident	190 Å²	190	70.8 Å²	70.8	72%	0.717	39%	0.389	S	S	*	.			trans	-85.3	92.8	168.4	-71.5	-176.8	-73.3	-179.2	-6.2	108.3	T660 S662	T660-R664 PolarHBondContact OG1-N 2.76Å; T660-R664 PolarHBondContact OG1-O 3.34Å; S662-R664 PolarHBondContact O-N 2.83Å; S662-R664 PolarHBondContact OG-NE 2.6Å
665	D	73.4	Confident	79.3	Confident	66 Å²	66	72.8 Å²	72.8	35%	0.353	40%	0.401	S	S	.	.			trans	-73.3	135.5	171.9	-77.7	2.7	0	0	0	110	R657 M659 G663	R657-D665 WeakPolarHBondContact CD-OD2 3.36Å; R657-D665 HydrophobicContact CG-CB 3.68Å; M659-D665 WeakPolarHBondContact CG-OD1 3.19Å; G663-D665 PolarHBondContact O-N 3.04Å
666	V	79.4	Confident	79.1	Confident	83 Å²	83	68.8 Å²	68.8	50%	0.503	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.8	177.5	-177.9	0	0	0	0	108.4	R657 K658 V668	R657-V666 CarbonylContact C-O 3.52Å; K658-V666 PolarHBondContact N-O 3.07Å; K658-V666 PolarHBondContact O-N 2.68Å; V666-V668 HydrophobicContact CB-CG2 4.45Å; V666-V668 HydrophobicContact CG1-CG2 4.15Å; V666-V668 PolarHBondContact O-N 3Å
667	D	84	Confident	79.2	Confident	106 Å²	106	68 Å²	68	57%	0.567	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	121.7	172.6	-63.9	-33.7	0	0	0	108.6	R657	R657-D667 WeakPolarHBondContact CB-OD1 3.48Å; R657-D667 IonicContact CZ-OD1 2.74Å; R657-D667 IonicContact NE-OD1 2.7Å; R657-D667 PolarHBondContact NE-OD1 3.13Å; R657-D667 IonicContact NH2-OD1 3.91Å; R657-D667 PolarHBondContact NH2-OD1 3.22Å; R657-D667 IonicContact NH2-OD2 2.89Å; R657-D667 PolarHBondContact NH2-OD2 3.42Å
668	V	86.3	Confident	79.5	Confident	39 Å²	39	66.9 Å²	66.9	24%	0.236	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.2	-173.4	-177.6	0	0	0	0	109.4	N655 Y656 K658 V666 I670	N655-V668 WeakPolarHBondContact CA-O 3.41Å; Y656-V668 HydrophobicContact CD1-CB 4.41Å; Y656-V668 WeakPolarHBondContact CD1-O 3.27Å; Y656-V668 HydrophobicContact CE1-CB 3.91Å; Y656-V668 HydrophobicContact CE1-CG1 3.91Å; Y656-V668 HydrophobicContact CE2-CB 4.34Å; Y656-V668 PolarHBondContact N-O 2.81Å; Y656-V668 PolarHBondContact O-N 3.47Å; K658-V668 HydrophobicContact CB-CG2 3.92Å; V666-V668 HydrophobicContact CB-CG2 4.45Å; V666-V668 HydrophobicContact CG1-CG2 4.15Å; V666-V668 PolarHBondContact O-N 3Å; V668-I670 HydrophobicContact CG1-CG2 3.9Å
669	G	87.1	Confident	80	Confident	52 Å²	52	61.8 Å²	61.8	54%	0.536	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125	168.6	0	0	0	0	0	110.8	M654 N655	M654-G669 WeakPolarHBondContact O-CA 3.44Å; N655-G669 VanDerWaalsContact OD1-CA 3.25Å; N655-G669 WeakPolarHBondContact OD1-CA 3.38Å
670	I	88	Confident	80.8	Confident	54 Å²	54	61.3 Å²	61.3	28%	0.277	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	158	172.4	64.7	177	0	0	0	110.7	M654 Y656 V668 I713	M654-I670 HydrophobicContact CB-CG1 4.03Å; M654-I670 HydrophobicContact CE-CD1 3.72Å; M654-I670 HydrophobicContact CE-CG1 3.89Å; M654-I670 PolarHBondContact N-O 2.82Å; M654-I670 PolarHBondContact O-N 3.45Å; Y656-I670 HydrophobicContact CE1-CD1 3.87Å; Y656-I670 HydrophobicContact CE1-CG1 3.97Å; Y656-I670 HydrophobicContact CE1-CG2 4.34Å; V668-I670 HydrophobicContact CG1-CG2 3.9Å; I670-I713 HydrophobicContact CD1-CD1 4.02Å
671	S	86.7	Confident	81.8	Confident	81 Å²	81	59 Å²	59	57%	0.566	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.3	162.8	-60.7	0	0	0	0	108.4	I652	I652-S671 VanDerWaalsContact O-CA 3.29Å; I652-S671 WeakPolarHBondContact O-CA 3.38Å
672	A	85.7	Confident	82.8	Confident	19 Å²	19	51.9 Å²	51.9	16%	0.157	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.6	179.9	0	0	0	0	0	110.1	V651 I652 M654 L697	V651-A672 WeakPolarHBondContact CA-O 3.29Å; I652-A672 PolarHBondContact N-O 3.44Å; I652-A672 PolarHBondContact O-N 2.98Å; M654-A672 HydrophobicContact CE-CB 3.57Å; A672-L697 HydrophobicContact CB-CD1 4.28Å
673	R	86.4	Confident	83.7	Confident	95 Å²	95	49 Å²	49	36%	0.358	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.9	171.3	-172.2	-177.8	-66.4	-80	0.4	109.1	C648 G649 V650 V651 E724	C648-R673 VanDerWaalsContact O-CD 3.31Å; C648-R673 WeakPolarHBondContact O-CD 3.35Å; G649-R673 WeakPolarHBondContact O-CD 3.41Å; G649-R673 VanDerWaalsContact O-CG 3.31Å; G649-R673 WeakPolarHBondContact O-CG 2.98Å; G649-R673 PolarHBondContact O-NH1 2.92Å; V650-R673 WeakPolarHBondContact O-CA 3.41Å; V651-R673 VanDerWaalsContact CG2-CZ 3.48Å; V651-R673 VanDerWaalsContact CG2-NH2 3.34Å; R673-E724 IonicContact NH1-OE1 3.7Å
674	T	86.1	Confident	84.2	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	152.7	-175.2	-173.5	0	0	0	0	112.6	F624 G649 V650 I652 G676 N698	F624-T674 HydrophobicContact CE2-CG2 4.3Å; G649-T674 CarbonylContact C-O 3.47Å; G649-T674 VanDerWaalsContact CA-O 3.26Å; G649-T674 WeakPolarHBondContact CA-O 3.36Å; V650-T674 PolarHBondContact N-O 2.96Å; V650-T674 PolarHBondContact O-N 3.39Å; I652-T674 HydrophobicContact CD1-CG2 3.58Å; I652-T674 HydrophobicContact CG1-CG2 3.95Å; I652-T674 HydrophobicContact CG2-CG2 4.47Å; T674-G676 PolarHBondContact OG1-N 3.18Å; T674-G676 PolarHBondContact OG1-O 3.2Å; T674-N698 WeakPolarHBondContact CA-O 3.34Å; T674-N698 PolarHBondContact OG1-N 2.78Å; T674-N698 PolarHBondContact OG1-O 3.29Å
675	T	84.4	Confident	84.3	Confident	41 Å²	41	44.5 Å²	44.5	25%	0.252	27%	0.269	S	S	.	.	S	Bend	trans	-92.3	-10.1	172.4	53.5	0	0	0	0	113.1	F624 F627 N698	F624-T675 WeakPolarHBondContact CD2-O 3.41Å; F627-T675 HydrophobicContact CB-CG2 4.32Å; F627-T675 HydrophobicContact CD2-CG2 4.1Å; F627-T675 HydrophobicContact CG-CG2 4.15Å; T675-N698 PolarHBondContact N-O 3.47Å; T675-N698 WeakPolarHBondContact OG1-CB 3.41Å; T675-N698 PolarHBondContact OG1-O 2.84Å
676	G	86.9	Confident	84	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	162.7	178.7	0	0	0	0	0	111.3	I622 T674 N698	I622-G676 CarbonylContact O-C 3.45Å; I622-G676 WeakPolarHBondContact O-CA 3.42Å; T674-G676 PolarHBondContact OG1-N 3.18Å; T674-G676 PolarHBondContact OG1-O 3.2Å; G676-N698 WeakPolarHBondContact O-CB 3.36Å; G676-N698 PolarHBondContact O-N 3.41Å; G676-N698 PolarHBondContact O-ND2 2.96Å
677	A	89.5	Confident	83.2	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.017	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.8	-178.6	0	0	0	0	0	111.2	I622 L695 T696 L697	I622-A677 HydrophobicContact CB-CB 4.18Å; I622-A677 HydrophobicContact CD1-CB 4.34Å; I622-A677 PolarHBondContact N-O 3.28Å; I622-A677 PolarHBondContact O-N 2.73Å; A677-L695 HydrophobicContact CB-CD1 4.02Å; A677-T696 WeakPolarHBondContact CA-O 3.34Å; A677-L697 HydrophobicContact CB-CD2 3.81Å
678	Q	90.7	Very high	82.3	Confident	64 Å²	64	43 Å²	43	30%	0.299	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.2	174.8	-168.2	-178.6	71.5	0	0	109.5	N619 N680 L695 T696	N619-Q678 WeakPolarHBondContact ND2-CG 3.41Å; N619-Q678 PolarHBondContact ND2-NE2 3.07Å; Q678-N680 PolarHBondContact OE1-ND2 3.17Å; Q678-L695 WeakPolarHBondContact O-CA 3.27Å; Q678-T696 PolarHBondContact N-O 3.06Å; Q678-T696 PolarHBondContact O-N 2.92Å
679	I	91.6	Very high	81.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	111.9	175.8	-58.6	-176.2	0	0	0	107.5	N619 L620 L693 T694 L695 I718 I720 I748	N619-I679 CarbonylContact C-O 3.51Å; N619-I679 WeakPolarHBondContact CA-O 3.22Å; L620-I679 HydrophobicContact CB-CB 4.32Å; L620-I679 HydrophobicContact CD2-CB 4.32Å; L620-I679 HydrophobicContact CD2-CD1 4.01Å; L620-I679 HydrophobicContact CD2-CG1 4.24Å; L620-I679 PolarHBondContact N-O 2.06Å; L620-I679 PolarHBondContact O-N 3.47Å; I679-L693 HydrophobicContact CG2-CB 3.87Å; I679-L693 HydrophobicContact CG2-CD1 4.09Å; I679-L693 HydrophobicContact CG2-CD2 3.97Å; I679-L693 HydrophobicContact CG2-CG 4.2Å; I679-T694 WeakPolarHBondContact CA-O 3.32Å; I679-L695 HydrophobicContact CD1-CD1 4.21Å; I679-L695 HydrophobicContact CG1-CB 4.46Å; I679-L695 HydrophobicContact CG1-CD1 3.68Å; I679-I718 HydrophobicContact CD1-CG2 4.14Å; I679-I720 HydrophobicContact CD1-CD1 4.17Å; I679-I748 HydrophobicContact CD1-CD1 3.65Å
680	N	90.4	Very high	80.5	Confident	40 Å²	40	40 Å²	40	21%	0.214	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.4	176	-66.4	-52.9	0	0	0	109.8	N619 Q678 L693 T694	N619-N680 PolarHBondContact ND2-OD1 2.92Å; Q678-N680 PolarHBondContact OE1-ND2 3.17Å; N680-L693 WeakPolarHBondContact O-CA 3.15Å; N680-T694 PolarHBondContact N-O 3.4Å; N680-T694 PolarHBondContact O-N 2.82Å
681	A	89.1	Confident	79.7	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.033	23%	0.234	C	C	.	.	S	Bend	trans	-97.8	-22.7	175.3	0	0	0	0	0	112.5	Y598 F616 L617 T618 L693	Y598-A681 HydrophobicContact CD2-CB 3.81Å; Y598-A681 HydrophobicContact CE2-CB 3.7Å; F616-A681 HydrophobicContact CE2-CB 4.3Å; L617-A681 WeakPolarHBondContact O-CB 3.47Å; T618-A681 PolarHBondContact O-N 3.31Å; A681-L693 HydrophobicContact CB-CD2 3.73Å
682	I	86.7	Confident	79.3	Confident	16 Å²	16	35.6 Å²	35.6	8%	0.082	21%	0.208	C	C	.	.	S	Bend	trans	-90.6	127.5	169.7	-48.2	-54.9	0	0	0	108.7	L537 Y540 F595 T618	L537-I682 HydrophobicContact CB-CG1 4.43Å; L537-I682 HydrophobicContact CD1-CD1 3.95Å; L537-I682 HydrophobicContact CG-CD1 4.45Å; Y540-I682 HydrophobicContact CD2-CG2 4.3Å; Y540-I682 HydrophobicContact CG-CG2 3.97Å; F595-I682 HydrophobicContact CD1-CD1 3.52Å; F595-I682 HydrophobicContact CE1-CD1 3.86Å; T618-I682 HydrophobicContact CG2-CG1 4.26Å
683	P	79.3	Confident	79.4	Confident	12 Å²	12	34.7 Å²	34.7	8%	0.078	20%	0.201	C	C	.	.			trans	-72.9	151.5	177.4	28.2	-33.2	0	0	0	112.3	Y540 S685 E688 L690	Y540-P683 HydrophobicContact CD2-CG 3.99Å; Y540-P683 HydrophobicContact CE2-CG 3.66Å; P683-S685 VanDerWaalsContact C-N 3.29Å; P683-S685 PolarHBondContact O-N 2.7Å; P683-E688 HydrophobicContact CB-CB 3.53Å; P683-E688 HydrophobicContact CB-CG 4.46Å; P683-E688 WeakPolarHBondContact CB-OE2 3.2Å; P683-E688 HydrophobicContact CG-CB 4.4Å; P683-L690 HydrophobicContact CG-CD2 3.99Å
684	S	70.2	Confident	79.5	Confident	101 Å²	101	31.1 Å²	31.1	71%	0.706	19%	0.19	S	C	*	.	S	Bend	trans	-81	-6	174.8	48.2	0	0	0	0	114
685	S	68.1	Low	79.6	Confident	55 Å²	55	31 Å²	31	39%	0.385	19%	0.189	S	C	.	.	S	Bend	trans	-143.5	144.3	-178.5	-177.8	0	0	0	0	111.2	P683 A687 E688	P683-S685 VanDerWaalsContact C-N 3.29Å; P683-S685 PolarHBondContact O-N 2.7Å; S685-A687 PolarHBondContact O-N 3.3Å; S685-E688 PolarHBondContact O-N 2.91Å; S685-E688 VanDerWaalsContact O-N 3.15Å
686	E	66.7	Low	79.8	Confident	82 Å²	82	29.8 Å²	29.8	38%	0.383	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.4	175.6	-58.1	171.2	177.3	0	0	112.9	Q448 N543 V544 E688	Q448-E686 PolarHBondContact NE2-O 3.06Å; N543-E686 VanDerWaalsContact C-OE1 3.23Å; N543-E686 HydrophobicContact CB-CG 4.17Å; N543-E686 WeakPolarHBondContact CB-OE1 3.44Å; V544-E686 HydrophobicContact CG1-CG 4.03Å; E686-E688 PolarHBondContact O-N 3.21Å
687	A	63.6	Low	79.8	Confident	92 Å²	92	30 Å²	30	76%	0.76	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.7	-179.6	0	0	0	0	0	114.2	S685	S685-A687 PolarHBondContact O-N 3.3Å
688	E	65.5	Low	79.5	Confident	51 Å²	51	33.8 Å²	33.8	24%	0.238	20%	0.202	C	C	.	.	S	Bend	trans	-101.4	130.7	-179	-63.2	-179.7	154.9	0	0	111.5	Q448 P683 S685 E686	Q448-E688 PolarHBondContact NE2-O 2.95Å; P683-E688 HydrophobicContact CB-CB 3.53Å; P683-E688 HydrophobicContact CB-CG 4.46Å; P683-E688 WeakPolarHBondContact CB-OE2 3.2Å; P683-E688 HydrophobicContact CG-CB 4.4Å; S685-E688 PolarHBondContact O-N 2.91Å; S685-E688 VanDerWaalsContact O-N 3.15Å; E686-E688 PolarHBondContact O-N 3.21Å
689	D	66.1	Low	78.7	Confident	25 Å²	25	35.9 Å²	35.9	13%	0.134	21%	0.212	C	C	.	.			trans	-70.4	134.3	-177.3	-173.8	18.9	0	0	0	112.6	T446 L447 N691 C692	T446-D689 WeakPolarHBondContact CB-OD1 3.34Å; T446-D689 WeakPolarHBondContact CB-OD2 3.36Å; T446-D689 VanDerWaalsContact CG2-OD2 3.23Å; T446-D689 WeakPolarHBondContact CG2-OD2 3.14Å; L447-D689 PolarHBondContact N-OD1 3.37Å; D689-N691 PolarHBondContact O-N 2.97Å; D689-N691 PolarHBondContact OD1-ND2 3.03Å; D689-N691 WeakPolarHBondContact OD2-CB 3.3Å; D689-N691 PolarHBondContact OD2-ND2 3.19Å; D689-C692 PolarHBondContact O-N 2.82Å; D689-C692 PolarHBondContact O-SG 2.89Å
690	L	70	Confident	77.1	Confident	3 Å²	3	38 Å²	38	2%	0.016	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	2.9	175.9	-67.2	165.2	0	0	0	114.1	L447 Y540 V593 F595 N596 P683 I794	L447-L690 HydrophobicContact CB-CB 4.12Å; L447-L690 HydrophobicContact CD1-CB 4.43Å; Y540-L690 HydrophobicContact CE1-CD1 4.1Å; Y540-L690 HydrophobicContact CE1-CD2 3.91Å; Y540-L690 HydrophobicContact CE1-CG 4.44Å; Y540-L690 HydrophobicContact CE2-CD2 4.36Å; V593-L690 HydrophobicContact CG1-CD1 4.35Å; F595-L690 HydrophobicContact CD1-CD2 3.96Å; F595-L690 HydrophobicContact CE1-CD2 3.97Å; N596-L690 PolarHBondContact ND2-O 3.05Å; P683-L690 HydrophobicContact CG-CD2 3.99Å; L690-I794 HydrophobicContact CD1-CD1 4.47Å
691	N	69.9	Low	75.3	Confident	36 Å²	36	42 Å²	42	19%	0.193	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.1	175.7	-68.9	-58.4	0	0	0	115.4	L447 N596 Y598 D689	L447-N691 WeakPolarHBondContact CG-OD1 3.42Å; L447-N691 PolarHBondContact N-ND2 3.12Å; N596-N691 WeakPolarHBondContact ND2-CA 3.49Å; N596-N691 PolarHBondContact ND2-OD1 3.23Å; Y598-N691 PolarHBondContact OH-O 3.11Å; D689-N691 PolarHBondContact O-N 2.97Å; D689-N691 PolarHBondContact OD1-ND2 3.03Å; D689-N691 WeakPolarHBondContact OD2-CB 3.3Å; D689-N691 PolarHBondContact OD2-ND2 3.19Å
692	C	79	Confident	73.3	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.034	28%	0.281	C	S	.	.			trans	-122.5	142.3	178.5	65.8	0	0	0	0	113.4	M659 D689 R714 T715	M659-C692 HydrophobicContact SD-CB 3.87Å; D689-C692 PolarHBondContact O-N 2.82Å; D689-C692 PolarHBondContact O-SG 2.89Å; C692-R714 VanDerWaalsContact SG-CZ 3.53Å; C692-R714 PolarHBondContact SG-NE 2.79Å; C692-R714 PolarHBondContact SG-NH2 2.94Å; C692-T715 WeakPolarHBondContact CA-O 3.22Å
693	L	87.6	Confident	71.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.7	161.3	-60.1	173.5	0	0	0	109.2	Y598 F616 I679 N680 A681 R714 T715 I718 I748	Y598-L693 HydrophobicContact CD1-CD1 3.89Å; Y598-L693 HydrophobicContact CD1-CD2 3.82Å; Y598-L693 HydrophobicContact CD1-CG 3.98Å; Y598-L693 HydrophobicContact CD2-CD2 3.72Å; Y598-L693 HydrophobicContact CE1-CD1 3.87Å; Y598-L693 HydrophobicContact CE1-CD2 3.64Å; Y598-L693 HydrophobicContact CE1-CG 3.56Å; Y598-L693 HydrophobicContact CE2-CD2 3.53Å; Y598-L693 HydrophobicContact CE2-CG 4.31Å; Y598-L693 HydrophobicContact CG-CD2 3.85Å; Y598-L693 VanDerWaalsContact CZ-CD2 3.48Å; F616-L693 HydrophobicContact CE2-CD2 4.3Å; F616-L693 HydrophobicContact CZ-CD2 4.22Å; I679-L693 HydrophobicContact CG2-CB 3.87Å; I679-L693 HydrophobicContact CG2-CD1 4.09Å; I679-L693 HydrophobicContact CG2-CD2 3.97Å; I679-L693 HydrophobicContact CG2-CG 4.2Å; N680-L693 WeakPolarHBondContact O-CA 3.15Å; A681-L693 HydrophobicContact CB-CD2 3.73Å; L693-R714 WeakPolarHBondContact O-CA 3.44Å; L693-T715 HydrophobicContact CB-CG2 4.07Å; L693-T715 PolarHBondContact N-O 3.09Å; L693-T715 PolarHBondContact O-N 2.96Å; L693-I718 HydrophobicContact CD1-CG2 4.34Å; L693-I748 HydrophobicContact CD1-CG2 3.62Å
694	T	88.1	Confident	69.6	Low	20 Å²	20	60.6 Å²	60.6	12%	0.123	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	107.9	168.9	-66.3	0	0	0	0	108.7	I679 N680	I679-T694 WeakPolarHBondContact CA-O 3.32Å; N680-T694 PolarHBondContact N-O 3.4Å; N680-T694 PolarHBondContact O-N 2.82Å
695	L	89.1	Confident	68.2	Low	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.5	172.2	168.5	71.2	0	0	0	109.6	M654 A677 Q678 I679 L697 K712 I713 I718	M654-L695 HydrophobicContact SD-CD2 3.83Å; A677-L695 HydrophobicContact CB-CD1 4.02Å; Q678-L695 WeakPolarHBondContact O-CA 3.27Å; I679-L695 HydrophobicContact CD1-CD1 4.21Å; I679-L695 HydrophobicContact CG1-CB 4.46Å; I679-L695 HydrophobicContact CG1-CD1 3.68Å; L695-L697 HydrophobicContact CD1-CD2 3.98Å; L695-L697 HydrophobicContact CD1-CG 4.44Å; L695-L697 HydrophobicContact CD2-CD2 4.2Å; L695-L697 HydrophobicContact CD2-CG 4.29Å; L695-L697 HydrophobicContact CG-CD2 4.26Å; L695-L697 HydrophobicContact CG-CG 4.26Å; L695-K712 WeakPolarHBondContact O-CA 3.36Å; L695-I713 HydrophobicContact CB-CB 4.24Å; L695-I713 HydrophobicContact CD2-CB 4.32Å; L695-I713 HydrophobicContact CD2-CD1 4.19Å; L695-I713 PolarHBondContact N-O 3.31Å; L695-I713 PolarHBondContact O-N 3.16Å; L695-I718 HydrophobicContact CD2-CD1 3.71Å
696	T	88.8	Confident	66.6	Low	14 Å²	14	65.5 Å²	65.5	9%	0.086	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.1	168	-58	0	0	0	0	108.7	A677 Q678 E710	A677-T696 WeakPolarHBondContact CA-O 3.34Å; Q678-T696 PolarHBondContact N-O 3.06Å; Q678-T696 PolarHBondContact O-N 2.92Å; T696-E710 HydrophobicContact CG2-CB 4.21Å; T696-E710 HydrophobicContact CG2-CG 4.35Å
697	L	86.3	Confident	65.1	Low	8 Å²	8	65.7 Å²	65.7	4%	0.042	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.6	178.3	-64	169.5	0	0	0	110.6	I652 M654 A672 A677 L695 E699 I713	I652-L697 HydrophobicContact CD1-CD2 4.2Å; M654-L697 HydrophobicContact CE-CD1 3.73Å; M654-L697 HydrophobicContact CE-CD2 4.17Å; M654-L697 HydrophobicContact SD-CD1 4.35Å; M654-L697 HydrophobicContact SD-CD2 4.03Å; A672-L697 HydrophobicContact CB-CD1 4.28Å; A677-L697 HydrophobicContact CB-CD2 3.81Å; L695-L697 HydrophobicContact CD1-CD2 3.98Å; L695-L697 HydrophobicContact CD1-CG 4.44Å; L695-L697 HydrophobicContact CD2-CD2 4.2Å; L695-L697 HydrophobicContact CD2-CG 4.29Å; L695-L697 HydrophobicContact CG-CD2 4.26Å; L695-L697 HydrophobicContact CG-CG 4.26Å; L697-E699 HydrophobicContact CB-CG 4.16Å; L697-E699 PolarHBondContact O-N 3.1Å; L697-I713 HydrophobicContact CD1-CD1 4.44Å
698	N	82.8	Confident	63.8	Low	81 Å²	81	68 Å²	68	43%	0.433	41%	0.407	S	S	.	.			trans	-81.9	86	170.7	-59.2	-23.1	0	0	0	108.1	T674 T675 G676	T674-N698 WeakPolarHBondContact CA-O 3.34Å; T674-N698 PolarHBondContact OG1-N 2.78Å; T674-N698 PolarHBondContact OG1-O 3.29Å; T675-N698 PolarHBondContact N-O 3.47Å; T675-N698 WeakPolarHBondContact OG1-CB 3.41Å; T675-N698 PolarHBondContact OG1-O 2.84Å; G676-N698 WeakPolarHBondContact O-CB 3.36Å; G676-N698 PolarHBondContact O-N 3.41Å; G676-N698 PolarHBondContact O-ND2 2.96Å
699	E	73.7	Confident	62.7	Low	109 Å²	109	68.3 Å²	68.3	51%	0.509	42%	0.424	S	S	.	.			trans	-83	140.5	176.2	-68.5	-177	-151.8	0	0	111.1	L697 S711	L697-E699 HydrophobicContact CB-CG 4.16Å; L697-E699 PolarHBondContact O-N 3.1Å; E699-S711 WeakPolarHBondContact OE1-CB 3.38Å; E699-S711 PolarHBondContact OE1-OG 2.92Å
700	A	58.5	Low	62	Low	44 Å²	44	73.4 Å²	73.4	36%	0.364	45%	0.447	S	S	.	.			trans	-73.7	138.6	173.2	0	0	0	0	0	110.4	S702	A700-S702 PolarHBondContact O-N 2.7Å
701	P	52.2	Low	61.7	Low	125 Å²	125	75 Å²	75	81%	0.812	46%	0.458	S	S	*	.			trans	-65.8	103.3	-174.8	25.3	-34.2	0	0	0	111.8
702	S	47.8	Very low	61.9	Low	76 Å²	76	79.1 Å²	79.1	53%	0.531	47%	0.474	S	S	.	.			trans	-76.8	136.7	173.7	74.4	0	0	0	0	111	A700 T704	A700-S702 PolarHBondContact O-N 2.7Å; S702-T704 PolarHBondContact O-N 3.31Å
703	K	46.4	Very low	62.1	Low	214 Å²	214	80 Å²	80	93%	0.93	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	2.7	-175.6	-66.7	-175.8	177.8	179.2	0	114.9
704	T	42.2	Very low	61.9	Low	131 Å²	131	83.2 Å²	83.2	80%	0.804	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	8.9	-165.6	29	0	0	0	0	115.1	S702	S702-T704 PolarHBondContact O-N 3.31Å
705	K	39	Very low	61.7	Low	162 Å²	162	82.3 Å²	82.3	70%	0.704	49%	0.485	S	S	*	.			trans	-133	117.3	165.8	-80.1	-175.6	176	176.8	0	111.3	S707	K705-S707 PolarHBondContact O-N 3.18Å
706	G	35.7	Very low	61.3	Low	98 Å²	98	83 Å²	83	100%	1.01	49%	0.49	S	S	*	.	S	Bend	trans	-72.9	32	176.9	0	0	0	0	0	115
707	S	35.5	Very low	61.2	Low	86 Å²	86	85.1 Å²	85.1	60%	0.601	50%	0.5	S	S	*	.			trans	-128.8	93.4	174.7	63.1	0	0	0	0	109.3	K705 G709	K705-S707 PolarHBondContact O-N 3.18Å; S707-G709 PolarHBondContact O-N 3.32Å
708	S	36.5	Very low	61.4	Low	141 Å²	141	84.9 Å²	84.9	99%	0.986	50%	0.499	S	S	*	.			trans	-72.7	68	165.5	179.2	0	0	0	0	109.3
709	G	41.7	Very low	61.9	Low	57 Å²	57	85.3 Å²	85.3	59%	0.588	50%	0.497	S	S	*	.			trans	-120.9	125	179.1	0	0	0	0	0	110.1	S707 S711	S707-G709 PolarHBondContact O-N 3.32Å; G709-S711 PolarHBondContact O-N 2.92Å
710	E	51.1	Low	62.7	Low	132 Å²	132	80.1 Å²	80.1	62%	0.617	47%	0.473	S	S	*	.			trans	-51.8	128.8	171.1	-64.9	173.7	164.9	0	0	110.5	T696 K712	T696-E710 HydrophobicContact CG2-CB 4.21Å; T696-E710 HydrophobicContact CG2-CG 4.35Å; E710-K712 HydrophobicContact CB-CG 4.34Å; E710-K712 PolarHBondContact O-N 2.82Å; E710-K712 WeakPolarHBondContact OE2-CE 3.43Å; E710-K712 IonicContact OE2-NZ 3.61Å
711	S	63.1	Low	64.3	Low	35 Å²	35	84.4 Å²	84.4	25%	0.245	48%	0.48	C	S	.	.			trans	-77	70.3	178.4	48.1	0	0	0	0	111.3	E699 G709 I713	E699-S711 WeakPolarHBondContact OE1-CB 3.38Å; E699-S711 PolarHBondContact OE1-OG 2.92Å; G709-S711 PolarHBondContact O-N 2.92Å; S711-I713 PolarHBondContact O-N 3.24Å
712	K	75.7	Confident	66.1	Low	123 Å²	123	78.6 Å²	78.6	54%	0.535	44%	0.442	S	S	.	.			trans	-66.5	113.6	177.3	-67.8	-172.3	-179.5	-177.1	0	111.1	L695 E710	L695-K712 WeakPolarHBondContact O-CA 3.36Å; E710-K712 HydrophobicContact CB-CG 4.34Å; E710-K712 PolarHBondContact O-N 2.82Å; E710-K712 WeakPolarHBondContact OE2-CE 3.43Å; E710-K712 IonicContact OE2-NZ 3.61Å
713	I	82.5	Confident	67.7	Low	24 Å²	24	79.8 Å²	79.8	12%	0.123	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.3	179.3	-67	169.5	0	0	0	109.2	Y656 I670 L695 L697 S711	Y656-I713 HydrophobicContact CD2-CG2 3.75Å; Y656-I713 HydrophobicContact CE2-CG2 3.29Å; I670-I713 HydrophobicContact CD1-CD1 4.02Å; L695-I713 HydrophobicContact CB-CB 4.24Å; L695-I713 HydrophobicContact CD2-CB 4.32Å; L695-I713 HydrophobicContact CD2-CD1 4.19Å; L695-I713 PolarHBondContact N-O 3.31Å; L695-I713 PolarHBondContact O-N 3.16Å; L697-I713 HydrophobicContact CD1-CD1 4.44Å; S711-I713 PolarHBondContact O-N 3.24Å
714	R	83.6	Confident	69.2	Low	68 Å²	68	72 Å²	72	26%	0.257	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.9	171.9	-71.9	-176.9	62.8	-165.8	-3	111.3	M659 C692 L693	M659-R714 PolarHBondContact N-O 3.03Å; C692-R714 VanDerWaalsContact SG-CZ 3.53Å; C692-R714 PolarHBondContact SG-NE 2.79Å; C692-R714 PolarHBondContact SG-NH2 2.94Å; L693-R714 WeakPolarHBondContact O-CA 3.44Å
715	T	83.8	Confident	70.6	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	159.1	-176.5	-167.4	0	0	0	0	112.5	R657 C692 L693 N717 I718	R657-T715 PolarHBondContact N-OG1 3.08Å; R657-T715 WeakPolarHBondContact O-CA 3.18Å; R657-T715 PolarHBondContact O-OG1 2.81Å; C692-T715 WeakPolarHBondContact CA-O 3.22Å; L693-T715 HydrophobicContact CB-CG2 4.07Å; L693-T715 PolarHBondContact N-O 3.09Å; L693-T715 PolarHBondContact O-N 2.96Å; T715-N717 PolarHBondContact OG1-O 2.78Å; T715-I718 HydrophobicContact CG2-CB 4.11Å; T715-I718 HydrophobicContact CG2-CG2 4.27Å
716	S	80.9	Confident	72.7	Confident	16 Å²	16	73.8 Å²	73.8	11%	0.112	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-29.2	173.9	54.4	0	0	0	0	113.5	P750	S716-P750 WeakPolarHBondContact O-CD 3.37Å
717	N	86.3	Confident	75.2	Confident	57 Å²	57	70.2 Å²	70.2	31%	0.305	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.1	169.5	70.1	-15.3	0	0	0	110.1	Y656 R657 T715 I748	Y656-N717 WeakPolarHBondContact CA-O 3.43Å; R657-N717 WeakPolarHBondContact CB-OD1 3.23Å; R657-N717 PolarHBondContact N-O 3.48Å; R657-N717 PolarHBondContact N-OD1 2.7Å; R657-N717 VanDerWaalsContact N-OD1 3.17Å; T715-N717 PolarHBondContact OG1-O 2.78Å; N717-I748 VanDerWaalsContact CA-O 3.25Å; N717-I748 WeakPolarHBondContact CA-O 3.25Å; N717-I748 WeakPolarHBondContact CB-O 3.42Å
718	I	90.9	Very high	77.8	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	135.5	178.4	-179.1	163.3	0	0	0	111.2	I679 L693 L695 T715 I720 I748	I679-I718 HydrophobicContact CD1-CG2 4.14Å; L693-I718 HydrophobicContact CD1-CG2 4.34Å; L695-I718 HydrophobicContact CD2-CD1 3.71Å; T715-I718 HydrophobicContact CG2-CB 4.11Å; T715-I718 HydrophobicContact CG2-CG2 4.27Å; I718-I720 HydrophobicContact CD1-CD1 3.83Å; I718-I720 HydrophobicContact CD1-CG1 3.88Å; I718-I720 HydrophobicContact CG1-CD1 4.17Å; I718-I720 HydrophobicContact CG1-CG1 3.71Å; I718-I748 HydrophobicContact CG2-CB 3.93Å; I718-I748 HydrophobicContact CG2-CD1 3.88Å; I718-I748 HydrophobicContact CG2-CG1 4.32Å; I718-I748 PolarHBondContact N-O 2.91Å; I718-I748 PolarHBondContact O-N 3Å
719	K	92.8	Very high	80.5	Confident	90 Å²	90	60 Å²	60	39%	0.391	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.9	173.3	-173.2	167.1	-170.1	149.3	0	108.8	M654 N655 I746 E747	M654-K719 WeakPolarHBondContact CA-O 3.33Å; N655-K719 PolarHBondContact N-O 2.92Å; N655-K719 PolarHBondContact O-N 2.9Å; K719-I746 CarbonylContact C-O 3.58Å; K719-I746 WeakPolarHBondContact CA-O 3.43Å; K719-E747 HydrophobicContact CB-CG 4.43Å; K719-E747 HydrophobicContact CD-CG 4.34Å; K719-E747 WeakPolarHBondContact CE-OE2 3.32Å; K719-E747 HydrophobicContact CG-CB 4.33Å; K719-E747 HydrophobicContact CG-CG 4.41Å; K719-E747 IonicContact NZ-OE2 2.74Å; K719-E747 PolarHBondContact NZ-OE2 2.85Å
720	I	91.7	Very high	82.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.8	-179.8	-48.7	-168	0	0	0	108.7	I622 I652 S653 M654 I679 I718 S745 I746	I622-I720 HydrophobicContact CD1-CD1 3.81Å; I652-I720 HydrophobicContact CB-CG2 4.19Å; I652-I720 HydrophobicContact CD1-CG2 3.93Å; I652-I720 HydrophobicContact CG2-CG2 4.49Å; S653-I720 WeakPolarHBondContact O-CA 3.29Å; M654-I720 HydrophobicContact CG-CB 4.43Å; M654-I720 HydrophobicContact CG-CD1 4.33Å; M654-I720 HydrophobicContact CG-CG1 4.03Å; M654-I720 HydrophobicContact CG-CG2 4.06Å; M654-I720 HydrophobicContact SD-CD1 4.39Å; I679-I720 HydrophobicContact CD1-CD1 4.17Å; I718-I720 HydrophobicContact CD1-CD1 3.83Å; I718-I720 HydrophobicContact CD1-CG1 3.88Å; I718-I720 HydrophobicContact CG1-CD1 4.17Å; I718-I720 HydrophobicContact CG1-CG1 3.71Å; I720-S745 CarbonylContact O-C 3.59Å; I720-S745 WeakPolarHBondContact O-CA 3.32Å; I720-S745 VanDerWaalsContact O-CB 3.23Å; I720-S745 WeakPolarHBondContact O-CB 3.4Å; I720-I746 HydrophobicContact CB-CD1 4.39Å; I720-I746 HydrophobicContact CB-CG1 3.89Å; I720-I746 HydrophobicContact CD1-CD1 4.42Å; I720-I746 HydrophobicContact CG1-CD1 4.44Å; I720-I746 HydrophobicContact CG1-CG1 4.29Å; I720-I746 PolarHBondContact N-O 2.8Å; I720-I746 PolarHBondContact O-N 2.9Å
721	R	91.4	Very high	85	Confident	133 Å²	133	51.6 Å²	51.6	50%	0.502	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.5	178.8	176.1	172	-176.2	-178.7	6.2	110.7	I652 S653	I652-R721 WeakPolarHBondContact CA-O 3.43Å; S653-R721 PolarHBondContact N-O 2.77Å; S653-R721 PolarHBondContact O-N 2.95Å
722	T	89.4	Confident	86.4	Confident	4 Å²	4	50 Å²	50	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.7	167.4	51.1	0	0	0	0	110.2	F624 V650 I652 R726 F728 Q744	F624-T722 HydrophobicContact CE1-CG2 3.89Å; F624-T722 HydrophobicContact CZ-CG2 4.2Å; V650-T722 HydrophobicContact CG1-CG2 4.41Å; I652-T722 HydrophobicContact CG2-CG2 4.3Å; T722-R726 WeakPolarHBondContact CB-O 3.32Å; T722-R726 PolarHBondContact OG1-O 3.49Å; T722-F728 HydrophobicContact CG2-CD1 3.75Å; T722-F728 HydrophobicContact CG2-CE1 4.06Å; T722-Q744 PolarHBondContact N-O 2.91Å; T722-Q744 PolarHBondContact OG1-O 2.93Å
723	L	81.7	Confident	87.1	Confident	101 Å²	101	44.1 Å²	44.1	53%	0.529	19%	0.193	S	C	.	.	S	Bend	trans	-86.3	-25.2	174	-65.9	-175.9	0	0	0	112	V651	V651-L723 HydrophobicContact CG1-CD1 4.09Å; V651-L723 PolarHBondContact O-N 2.87Å
724	E	78.8	Confident	87.3	Confident	49 Å²	49	45.8 Å²	45.8	23%	0.229	20%	0.2	C	C	.	.	S	Bend	trans	-83.5	161.4	173.5	-59.1	178.2	-140.6	0	0	110.6	V650 V651 R673 R726	V650-E724 HydrophobicContact CG1-CB 4.3Å; V650-E724 HydrophobicContact CG1-CG 4.35Å; V651-E724 PolarHBondContact N-OE1 2.85Å; R673-E724 IonicContact NH1-OE1 3.7Å; E724-R726 HydrophobicContact CB-CG 4.15Å; E724-R726 PolarHBondContact O-N 2.94Å; E724-R726 IonicContact OE2-CZ 2.96Å; E724-R726 VanDerWaalsContact OE2-CZ 3.25Å; E724-R726 IonicContact OE2-NE 2.88Å; E724-R726 PolarHBondContact OE2-NE 2.76Å; E724-R726 IonicContact OE2-NH2 2.81Å; E724-R726 PolarHBondContact OE2-NH2 3.06Å
725	R	71.6	Confident	87.5	Confident	246 Å²	246	42.7 Å²	42.7	93%	0.928	19%	0.188	S	C	*	.	S	Bend	trans	-67.4	16.6	172.9	-72	-169.5	177.4	-162.4	0.8	114.3
726	R	82.5	Confident	87.4	Confident	85 Å²	85	46.1 Å²	46.1	32%	0.321	21%	0.212	S	C	.	.			trans	-90.5	151.8	179.3	-54	-164.3	-144.1	-145.6	0.2	110.7	E626 V650 T722 E724	E626-R726 WeakPolarHBondContact OE2-CD 3.25Å; E626-R726 IonicContact OE2-CZ 3.78Å; E626-R726 IonicContact OE2-NE 3.48Å; E626-R726 IonicContact OE2-NH1 3.35Å; E626-R726 PolarHBondContact OE2-NH1 2.99Å; V650-R726 HydrophobicContact CG1-CB 4.36Å; T722-R726 WeakPolarHBondContact CB-O 3.32Å; T722-R726 PolarHBondContact OG1-O 3.49Å; E724-R726 HydrophobicContact CB-CG 4.15Å; E724-R726 PolarHBondContact O-N 2.94Å; E724-R726 IonicContact OE2-CZ 2.96Å; E724-R726 VanDerWaalsContact OE2-CZ 3.25Å; E724-R726 IonicContact OE2-NE 2.88Å; E724-R726 PolarHBondContact OE2-NE 2.76Å; E724-R726 IonicContact OE2-NH2 2.81Å; E724-R726 PolarHBondContact OE2-NH2 3.06Å
727	S	87.5	Confident	87.6	Confident	24 Å²	24	49 Å²	49	17%	0.168	22%	0.221	C	C	.	.			trans	-121.1	148.2	176.9	62.5	0	0	0	0	111	V743	S727-V743 CarbonylContact C-O 3.44Å; S727-V743 WeakPolarHBondContact CA-O 3.45Å; S727-V743 VanDerWaalsContact CB-O 3.28Å; S727-V743 WeakPolarHBondContact CB-O 3.5Å
728	F	90.9	Very high	87.7	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	169.2	175.7	54.7	-87.8	0	0	0	112.6	I622 E623 F624 T722 L730 H742 V743 I746	I622-F728 HydrophobicContact CD1-CE2 4.47Å; I622-F728 HydrophobicContact CG1-CD2 4.48Å; I622-F728 HydrophobicContact CG1-CE2 4.4Å; I622-F728 HydrophobicContact CG2-CB 3.96Å; I622-F728 HydrophobicContact CG2-CD2 3.64Å; I622-F728 HydrophobicContact CG2-CE2 4.19Å; I622-F728 HydrophobicContact CG2-CG 3.83Å; E623-F728 WeakPolarHBondContact O-CB 2.94Å; F624-F728 HydrophobicContact CD1-CB 3.95Å; F624-F728 HydrophobicContact CE1-CB 3.76Å; F624-F728 HydrophobicContact CE1-CD1 4.29Å; F624-F728 HydrophobicContact CE1-CG 4.49Å; F624-F728 HydrophobicContact CG-CB 4.46Å; F624-F728 HydrophobicContact CZ-CB 4.1Å; F624-F728 HydrophobicContact CZ-CD1 4.38Å; T722-F728 HydrophobicContact CG2-CD1 3.75Å; T722-F728 HydrophobicContact CG2-CE1 4.06Å; F728-L730 HydrophobicContact CD2-CB 4.49Å; F728-L730 HydrophobicContact CE2-CB 4.46Å; F728-L730 HydrophobicContact CE2-CD1 4.34Å; F728-H742 PolarHBondContact O-N 3.1Å; F728-V743 WeakPolarHBondContact CD1-O 3.33Å; F728-V743 HydrophobicContact CD2-CB 3.85Å; F728-V743 HydrophobicContact CD2-CG1 4.15Å; F728-V743 HydrophobicContact CE1-CB 4.41Å; F728-V743 HydrophobicContact CE1-CG1 4.14Å; F728-V743 HydrophobicContact CE2-CB 3.69Å; F728-V743 HydrophobicContact CE2-CG1 3.45Å; F728-V743 VanDerWaalsContact CE2-CG1 3.45Å; F728-V743 HydrophobicContact CG-CB 4.32Å; F728-V743 HydrophobicContact CZ-CB 4Å; F728-V743 HydrophobicContact CZ-CG1 3.45Å; F728-V743 VanDerWaalsContact CZ-CG1 3.45Å; F728-V743 PolarHBondContact N-O 2.85Å; F728-V743 PolarHBondContact O-N 3.49Å; F728-I746 HydrophobicContact CE2-CG2 4.03Å; F728-I746 HydrophobicContact CZ-CG1 4.36Å; F728-I746 HydrophobicContact CZ-CG2 4.03Å
729	T	91.8	Very high	87.8	Confident	12 Å²	12	50.1 Å²	50.1	7%	0.074	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.1	164.9	-61.3	0	0	0	0	108.6	E623 I739 Y740 K741	E623-T729 PolarHBondContact N-O 3.32Å; E623-T729 PolarHBondContact O-N 2.93Å; T729-I739 HydrophobicContact CG2-CG2 3.43Å; T729-I739 VanDerWaalsContact CG2-CG2 3.43Å; T729-Y740 CarbonylContact C-O 3.56Å; T729-Y740 WeakPolarHBondContact CA-O 3.47Å; T729-K741 HydrophobicContact CG2-CG 4.34Å
730	L	93.7	Very high	87.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129	179.9	-176.5	78.9	0	0	0	109.1	I602 L620 E621 I622 F728 L732 I739 Y740 V743 I746	I602-L730 HydrophobicContact CD1-CD2 3.63Å; I602-L730 HydrophobicContact CG1-CD2 3.83Å; I602-L730 HydrophobicContact CG2-CD2 4.5Å; L620-L730 HydrophobicContact CD1-CD1 3.99Å; L620-L730 HydrophobicContact CD2-CD1 3.45Å; L620-L730 VanDerWaalsContact CD2-CD1 3.45Å; L620-L730 HydrophobicContact CG-CD1 3.61Å; L620-L730 HydrophobicContact CG-CG 4.43Å; E621-L730 CarbonylContact O-C 3.58Å; E621-L730 WeakPolarHBondContact O-CA 3.42Å; I622-L730 HydrophobicContact CG1-CD1 3.9Å; F728-L730 HydrophobicContact CD2-CB 4.49Å; F728-L730 HydrophobicContact CE2-CB 4.46Å; F728-L730 HydrophobicContact CE2-CD1 4.34Å; L730-L732 HydrophobicContact CD2-CD2 4.09Å; L730-L732 HydrophobicContact CG-CD2 4.18Å; L730-I739 CarbonylContact O-C 3.52Å; L730-I739 WeakPolarHBondContact O-CA 3.28Å; L730-Y740 HydrophobicContact CD2-CD2 4.32Å; L730-Y740 PolarHBondContact N-O 2.85Å; L730-Y740 PolarHBondContact O-N 2.59Å; L730-V743 HydrophobicContact CB-CG2 4.2Å; L730-I746 HydrophobicContact CD1-CD1 4.12Å; L730-I746 HydrophobicContact CD1-CG2 4.35Å; L730-I746 HydrophobicContact CD2-CG2 3.97Å
731	T	93.7	Very high	87.7	Confident	12 Å²	12	54 Å²	54	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.5	174.2	-53.1	0	0	0	0	109.1	L620 E621 I739	L620-T731 WeakPolarHBondContact CA-O 3.47Å; E621-T731 PolarHBondContact N-O 3.39Å; E621-T731 PolarHBondContact O-N 2.82Å; T731-I739 HydrophobicContact CG2-CG1 4.06Å
732	L	92.4	Very high	87.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.6	178.9	-57.1	-176.2	0	0	0	111.3	V600 D614 F616 L620 L730 K734 D735 R738 Y740	V600-L732 HydrophobicContact CG1-CD1 3.91Å; V600-L732 HydrophobicContact CG1-CD2 4.26Å; D614-L732 HydrophobicContact CB-CD1 4.06Å; F616-L732 HydrophobicContact CB-CB 4.35Å; F616-L732 HydrophobicContact CB-CD2 4.36Å; F616-L732 HydrophobicContact CD1-CD2 4.44Å; L620-L732 HydrophobicContact CB-CD2 4.11Å; L620-L732 HydrophobicContact CD1-CD2 3.62Å; L620-L732 HydrophobicContact CG-CD2 3.72Å; L730-L732 HydrophobicContact CD2-CD2 4.09Å; L730-L732 HydrophobicContact CG-CD2 4.18Å; L732-K734 PolarHBondContact O-N 3.13Å; L732-D735 PolarHBondContact O-N 3.22Å; L732-R738 HydrophobicContact CB-CB 4.2Å; L732-R738 PolarHBondContact N-O 2.86Å; L732-Y740 HydrophobicContact CD1-CD2 4.49Å; L732-Y740 HydrophobicContact CD1-CE2 3.82Å; L732-Y740 HydrophobicContact CG-CE2 4.29Å
733	D	90.5	Very high	87.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	28.9	176.3	-56.2	-55.1	0	0	0	114.7	G481 F616 L617 T618 N619 D735 R738	G481-D733 VanDerWaalsContact CA-CG 3.49Å; G481-D733 VanDerWaalsContact CA-OD2 3.31Å; G481-D733 WeakPolarHBondContact CA-OD2 3.37Å; F616-D733 VanDerWaalsContact CA-OD2 3.29Å; F616-D733 WeakPolarHBondContact CA-OD2 3.46Å; F616-D733 WeakPolarHBondContact CB-OD2 3.36Å; L617-D733 PolarHBondContact N-OD1 3.28Å; T618-D733 PolarHBondContact N-OD1 3.06Å; T618-D733 PolarHBondContact OG1-OD1 3.13Å; N619-D733 PolarHBondContact O-N 2.86Å; D733-D735 PolarHBondContact O-N 3.2Å; D733-D735 VanDerWaalsContact O-N 3.11Å; D733-R738 IonicContact OD2-CZ 2.64Å; D733-R738 IonicContact OD2-NH1 2.71Å; D733-R738 PolarHBondContact OD2-NH1 2.98Å; D733-R738 IonicContact OD2-NH2 3.13Å
734	K	87.6	Confident	88.2	Confident	60 Å²	60	50.2 Å²	50.2	26%	0.261	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	13	-172.5	-51.9	168.8	-174.4	160.5	0	114.5	D477 R478 D533 N619 L732	D477-K734 HydrophobicContact CB-CD 4.4Å; D477-K734 IonicContact OD2-NZ 3.67Å; D477-K734 PolarHBondContact OD2-NZ 2.86Å; R478-K734 HydrophobicContact CG-CB 4.46Å; D533-K734 PolarHBondContact O-NZ 3.15Å; N619-K734 HydrophobicContact CB-CG 4.43Å; L732-K734 PolarHBondContact O-N 3.13Å
735	D	87.1	Confident	88.8	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.011	22%	0.22	C	C	.	.			trans	-82.4	119.3	-177.3	-174.3	-6.1	0	0	0	110.9	R478 R482 L732 D733 R737 R738	R478-D735 HydrophobicContact CB-CB 4.35Å; R478-D735 HydrophobicContact CG-CB 4.24Å; R482-D735 WeakPolarHBondContact CD-OD2 3.21Å; L732-D735 PolarHBondContact O-N 3.22Å; D733-D735 PolarHBondContact O-N 3.2Å; D733-D735 VanDerWaalsContact O-N 3.11Å; D735-R737 PolarHBondContact O-N 2.83Å; D735-R737 WeakPolarHBondContact OD1-CB 3.45Å; D735-R737 IonicContact OD1-CZ 3.63Å; D735-R737 PolarHBondContact OD1-N 3.28Å; D735-R737 VanDerWaalsContact OD1-N 3.1Å; D735-R737 IonicContact OD1-NE 3.18Å; D735-R737 PolarHBondContact OD1-NE 3.41Å; D735-R737 IonicContact OD1-NH2 3.35Å; D735-R737 PolarHBondContact OD1-NH2 3.47Å; D735-R737 IonicContact OD2-NE 3.44Å; D735-R737 IonicContact OD2-NH2 2.66Å; D735-R738 HydrophobicContact CB-CB 4.13Å; D735-R738 HydrophobicContact CB-CG 3.96Å; D735-R738 PolarHBondContact O-N 2.98Å; D735-R738 VanDerWaalsContact OD2-CD 3.28Å; D735-R738 WeakPolarHBondContact OD2-CD 3.4Å; D735-R738 WeakPolarHBondContact OD2-CG 3.23Å
736	S	83.2	Confident	89.9	Confident	72 Å²	72	36.9 Å²	36.9	50%	0.503	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.8	-176.9	74.5	0	0	0	0	113.4	R738 I739	S736-R738 VanDerWaalsContact C-N 3.32Å; S736-I739 VanDerWaalsContact O-CD1 3.29Å; S736-I739 WeakPolarHBondContact O-CD1 3.37Å; S736-I739 WeakPolarHBondContact O-CG1 3.18Å
737	R	84.4	Confident	90.5	Very high	76 Å²	76	37 Å²	37	29%	0.287	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.6	175.7	-64.1	164.5	-70.6	-155.3	-17.7	112.7	E178 E310 R482 D735 I739	E178-R737 IonicContact OE1-CZ 3.23Å; E178-R737 IonicContact OE1-NE 2.79Å; E178-R737 PolarHBondContact OE1-NE 3.17Å; E178-R737 IonicContact OE1-NH1 3.83Å; E178-R737 IonicContact OE1-NH2 3.5Å; E178-R737 PolarHBondContact OE1-NH2 2.91Å; E310-R737 WeakPolarHBondContact OE1-CD 3.24Å; R482-R737 VanDerWaalsContact CZ-NH2 3.28Å; D735-R737 PolarHBondContact O-N 2.83Å; D735-R737 WeakPolarHBondContact OD1-CB 3.45Å; D735-R737 IonicContact OD1-CZ 3.63Å; D735-R737 PolarHBondContact OD1-N 3.28Å; D735-R737 VanDerWaalsContact OD1-N 3.1Å; D735-R737 IonicContact OD1-NE 3.18Å; D735-R737 PolarHBondContact OD1-NE 3.41Å; D735-R737 IonicContact OD1-NH2 3.35Å; D735-R737 PolarHBondContact OD1-NH2 3.47Å; D735-R737 IonicContact OD2-NE 3.44Å; D735-R737 IonicContact OD2-NH2 2.66Å; R737-I739 PolarHBondContact O-N 2.88Å
738	R	88.8	Confident	90.8	Very high	13 Å²	13	35.9 Å²	35.9	5%	0.049	17%	0.172	C	C	.	.			trans	-105.9	41.6	-172.5	-57.7	-176.6	63	-151.8	-6.5	112	D614 V615 L732 D733 D735 S736	D614-R738 VanDerWaalsContact CG-NH2 3.26Å; D614-R738 IonicContact OD1-NH2 3.7Å; D614-R738 PolarHBondContact OD1-NH2 2.93Å; D614-R738 IonicContact OD2-CZ 2.7Å; D614-R738 IonicContact OD2-NE 3.09Å; D614-R738 PolarHBondContact OD2-NE 3.44Å; D614-R738 IonicContact OD2-NH2 3.86Å; D614-R738 PolarHBondContact OD2-NH2 2.95Å; V615-R738 PolarHBondContact O-NH2 2.74Å; L732-R738 HydrophobicContact CB-CB 4.2Å; L732-R738 PolarHBondContact N-O 2.86Å; D733-R738 IonicContact OD2-CZ 2.64Å; D733-R738 IonicContact OD2-NH1 2.71Å; D733-R738 PolarHBondContact OD2-NH1 2.98Å; D733-R738 IonicContact OD2-NH2 3.13Å; D735-R738 HydrophobicContact CB-CB 4.13Å; D735-R738 HydrophobicContact CB-CG 3.96Å; D735-R738 PolarHBondContact O-N 2.98Å; D735-R738 VanDerWaalsContact OD2-CD 3.28Å; D735-R738 WeakPolarHBondContact OD2-CD 3.4Å; D735-R738 WeakPolarHBondContact OD2-CG 3.23Å; S736-R738 VanDerWaalsContact C-N 3.32Å
739	I	91.6	Very high	90.8	Very high	71 Å²	71	37.8 Å²	37.8	36%	0.364	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.2	-180	-61.7	178	0	0	0	110.5	T729 L730 T731 S736 R737 K741	T729-I739 HydrophobicContact CG2-CG2 3.43Å; T729-I739 VanDerWaalsContact CG2-CG2 3.43Å; L730-I739 CarbonylContact O-C 3.52Å; L730-I739 WeakPolarHBondContact O-CA 3.28Å; T731-I739 HydrophobicContact CG2-CG1 4.06Å; S736-I739 VanDerWaalsContact O-CD1 3.29Å; S736-I739 WeakPolarHBondContact O-CD1 3.37Å; S736-I739 WeakPolarHBondContact O-CG1 3.18Å; R737-I739 PolarHBondContact O-N 2.88Å; I739-K741 HydrophobicContact CG2-CG 4.32Å
740	Y	91.8	Very high	90.7	Very high	42 Å²	42	38.9 Å²	38.9	17%	0.165	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.5	175.9	-59.5	-86.5	0	0	0	110.5	I602 F604 V612 D614 T729 L730 L732	I602-Y740 HydrophobicContact CD1-CD1 4.01Å; I602-Y740 HydrophobicContact CD1-CD2 3.5Å; I602-Y740 VanDerWaalsContact CD1-CD2 3.5Å; I602-Y740 HydrophobicContact CD1-CE1 4.13Å; I602-Y740 HydrophobicContact CD1-CE2 3.63Å; I602-Y740 HydrophobicContact CD1-CG 3.68Å; F604-Y740 HydrophobicContact CZ-CD1 4.11Å; V612-Y740 HydrophobicContact CG1-CE1 3.83Å; D614-Y740 PolarHBondContact OD2-OH 2.85Å; T729-Y740 CarbonylContact C-O 3.56Å; T729-Y740 WeakPolarHBondContact CA-O 3.47Å; L730-Y740 HydrophobicContact CD2-CD2 4.32Å; L730-Y740 PolarHBondContact N-O 2.85Å; L730-Y740 PolarHBondContact O-N 2.59Å; L732-Y740 HydrophobicContact CD1-CD2 4.49Å; L732-Y740 HydrophobicContact CD1-CE2 3.82Å; L732-Y740 HydrophobicContact CG-CE2 4.29Å
741	K	91.4	Very high	90.5	Very high	132 Å²	132	39 Å²	39	57%	0.574	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	154.5	178.9	-61.3	177.6	-176	173.7	0	111.3	F604 T729 I739	F604-K741 WeakPolarHBondContact CD1-O 3.23Å; T729-K741 HydrophobicContact CG2-CG 4.34Å; I739-K741 HydrophobicContact CG2-CG 4.32Å
742	H	90.1	Very high	90.1	Very high	120 Å²	120	42.4 Å²	42.4	56%	0.556	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	63.9	35.8	178.6	-48	-74.2	0	0	0	114.7	F604 N605 F728	F604-H742 WeakPolarHBondContact CA-O 3.41Å; N605-H742 PolarHBondContact N-O 3.16Å; F728-H742 PolarHBondContact O-N 3.1Å
743	V	91.3	Very high	89.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.9	177.8	-172.9	0	0	0	0	110.3	I602 F604 S727 F728 L730 I746	I602-V743 HydrophobicContact CG2-CB 4.35Å; I602-V743 HydrophobicContact CG2-CG1 3.7Å; I602-V743 HydrophobicContact CG2-CG2 3.69Å; F604-V743 HydrophobicContact CD1-CG2 4.32Å; F604-V743 HydrophobicContact CE1-CG2 4.12Å; S727-V743 CarbonylContact C-O 3.44Å; S727-V743 WeakPolarHBondContact CA-O 3.45Å; S727-V743 VanDerWaalsContact CB-O 3.28Å; S727-V743 WeakPolarHBondContact CB-O 3.5Å; F728-V743 WeakPolarHBondContact CD1-O 3.33Å; F728-V743 HydrophobicContact CD2-CB 3.85Å; F728-V743 HydrophobicContact CD2-CG1 4.15Å; F728-V743 HydrophobicContact CE1-CB 4.41Å; F728-V743 HydrophobicContact CE1-CG1 4.14Å; F728-V743 HydrophobicContact CE2-CB 3.69Å; F728-V743 HydrophobicContact CE2-CG1 3.45Å; F728-V743 VanDerWaalsContact CE2-CG1 3.45Å; F728-V743 HydrophobicContact CG-CB 4.32Å; F728-V743 HydrophobicContact CZ-CB 4Å; F728-V743 HydrophobicContact CZ-CG1 3.45Å; F728-V743 VanDerWaalsContact CZ-CG1 3.45Å; F728-V743 PolarHBondContact N-O 2.85Å; F728-V743 PolarHBondContact O-N 3.49Å; L730-V743 HydrophobicContact CB-CG2 4.2Å; V743-I746 HydrophobicContact CG1-CG2 3.83Å
744	Q	91.1	Very high	89.4	Confident	38 Å²	38	43.1 Å²	43.1	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-37	176.8	-174.9	-174.2	59.5	0	0	112	T603 N605 T722	T603-Q744 PolarHBondContact O-N 2.96Å; N605-Q744 HydrophobicContact CB-CB 4.26Å; N605-Q744 PolarHBondContact OD1-NE2 3.43Å; T722-Q744 PolarHBondContact N-O 2.91Å; T722-Q744 PolarHBondContact OG1-O 2.93Å
745	S	92.3	Very high	88.9	Confident	14 Å²	14	40.3 Å²	40.3	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.8	173.8	61.1	0	0	0	0	112.8	T603 I720	T603-S745 PolarHBondContact N-O 2.86Å; T603-S745 PolarHBondContact O-N 3.46Å; T603-S745 VanDerWaalsContact O-N 3.17Å; I720-S745 CarbonylContact O-C 3.59Å; I720-S745 WeakPolarHBondContact O-CA 3.32Å; I720-S745 VanDerWaalsContact O-CB 3.23Å; I720-S745 WeakPolarHBondContact O-CB 3.4Å
746	I	95.2	Very high	88.4	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.3	172.9	58.4	174.9	0	0	0	110.2	V600 K601 I602 L620 I622 K719 I720 F728 L730 V743 I748	V600-I746 HydrophobicContact CG2-CB 4.24Å; V600-I746 HydrophobicContact CG2-CG2 4.37Å; K601-I746 CarbonylContact O-C 3.55Å; K601-I746 VanDerWaalsContact O-CA 3.3Å; K601-I746 WeakPolarHBondContact O-CA 3.36Å; I602-I746 HydrophobicContact CG1-CG2 4.45Å; L620-I746 HydrophobicContact CD1-CD1 4.47Å; L620-I746 HydrophobicContact CD2-CD1 4.15Å; I622-I746 HydrophobicContact CD1-CD1 3.66Å; I622-I746 HydrophobicContact CG1-CD1 4.41Å; K719-I746 CarbonylContact C-O 3.58Å; K719-I746 WeakPolarHBondContact CA-O 3.43Å; I720-I746 HydrophobicContact CB-CD1 4.39Å; I720-I746 HydrophobicContact CB-CG1 3.89Å; I720-I746 HydrophobicContact CD1-CD1 4.42Å; I720-I746 HydrophobicContact CG1-CD1 4.44Å; I720-I746 HydrophobicContact CG1-CG1 4.29Å; I720-I746 PolarHBondContact N-O 2.8Å; I720-I746 PolarHBondContact O-N 2.9Å; F728-I746 HydrophobicContact CE2-CG2 4.03Å; F728-I746 HydrophobicContact CZ-CG1 4.36Å; F728-I746 HydrophobicContact CZ-CG2 4.03Å; L730-I746 HydrophobicContact CD1-CD1 4.12Å; L730-I746 HydrophobicContact CD1-CG2 4.35Å; L730-I746 HydrophobicContact CD2-CG2 3.97Å; V743-I746 HydrophobicContact CG1-CG2 3.83Å; I746-I748 HydrophobicContact CD1-CD1 4.04Å; I746-I748 HydrophobicContact CD1-CG1 4.49Å
747	E	94.6	Very high	87.9	Confident	86 Å²	86	39.5 Å²	39.5	40%	0.402	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.1	171.4	-173.3	171	151.2	0	0	108.8	V600 K601 K719	V600-E747 WeakPolarHBondContact CA-O 3.35Å; K601-E747 HydrophobicContact CB-CB 4.44Å; K601-E747 PolarHBondContact N-O 3.23Å; K601-E747 PolarHBondContact O-N 2.68Å; K719-E747 HydrophobicContact CB-CG 4.43Å; K719-E747 HydrophobicContact CD-CG 4.34Å; K719-E747 WeakPolarHBondContact CE-OE2 3.32Å; K719-E747 HydrophobicContact CG-CB 4.33Å; K719-E747 HydrophobicContact CG-CG 4.41Å; K719-E747 IonicContact NZ-OE2 2.74Å; K719-E747 PolarHBondContact NZ-OE2 2.85Å
748	I	94.2	Very high	87.4	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.4	-174.9	-57.2	171.2	0	0	0	109.5	Y598 F599 V600 F616 L620 I679 L693 N717 I718 I746	Y598-I748 HydrophobicContact CD1-CG2 4.24Å; F599-I748 WeakPolarHBondContact O-CA 3.25Å; V600-I748 HydrophobicContact CB-CG1 4.29Å; V600-I748 HydrophobicContact CG2-CG1 3.96Å; F616-I748 HydrophobicContact CE1-CD1 4.26Å; F616-I748 HydrophobicContact CE1-CG1 4.35Å; F616-I748 HydrophobicContact CE1-CG2 3.78Å; F616-I748 HydrophobicContact CZ-CD1 4.29Å; F616-I748 HydrophobicContact CZ-CG2 3.92Å; L620-I748 HydrophobicContact CD1-CD1 3.56Å; L620-I748 HydrophobicContact CD1-CG1 4.28Å; L620-I748 HydrophobicContact CD2-CD1 4.46Å; I679-I748 HydrophobicContact CD1-CD1 3.65Å; L693-I748 HydrophobicContact CD1-CG2 3.62Å; N717-I748 VanDerWaalsContact CA-O 3.25Å; N717-I748 WeakPolarHBondContact CA-O 3.25Å; N717-I748 WeakPolarHBondContact CB-O 3.42Å; I718-I748 HydrophobicContact CG2-CB 3.93Å; I718-I748 HydrophobicContact CG2-CD1 3.88Å; I718-I748 HydrophobicContact CG2-CG1 4.32Å; I718-I748 PolarHBondContact N-O 2.91Å; I718-I748 PolarHBondContact O-N 3Å; I746-I748 HydrophobicContact CD1-CD1 4.04Å; I746-I748 HydrophobicContact CD1-CG1 4.49Å
749	S	90.7	Very high	86.5	Confident	41 Å²	41	39.2 Å²	39.2	29%	0.287	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.7	174.5	57.8	0	0	0	0	110.9	F599 C751	F599-S749 PolarHBondContact N-O 2.83Å; F599-S749 PolarHBondContact O-N 3.12Å; S749-C751 PolarHBondContact O-N 2.83Å
750	P	88.6	Confident	85.3	Confident	36 Å²	36	41.2 Å²	41.2	23%	0.234	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	133.4	170.8	-21.9	34.8	0	0	0	110.2	Y598 S716 L752 T783	Y598-P750 HydrophobicContact CE1-CG 4.22Å; S716-P750 WeakPolarHBondContact O-CD 3.37Å; P750-L752 PolarHBondContact O-N 3.22Å; P750-T783 HydrophobicContact CB-CG2 3.86Å
751	C	89.2	Confident	84	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.014	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-65.3	129	-177.5	-173.4	0	0	0	0	110.1	Y488 I597 F599 S749 T783 L784	Y488-C751 VanDerWaalsContact CD2-SG 3.54Å; I597-C751 HydrophobicContact CB-CB 4.02Å; I597-C751 HydrophobicContact CG2-CB 3.93Å; I597-C751 WeakPolarHBondContact O-CB 3.34Å; I597-C751 PolarHBondContact O-N 2.93Å; F599-C751 HydrophobicContact CB-CB 4.18Å; S749-C751 PolarHBondContact O-N 2.83Å; C751-T783 CarbonylContact O-C 3.58Å; C751-T783 WeakPolarHBondContact O-CA 3.49Å; C751-L784 PolarHBondContact O-N 3.45Å
752	L	86.5	Confident	82.6	Confident	83 Å²	83	39.6 Å²	39.6	44%	0.435	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-77.8	149.9	173.8	-59.9	178.6	0	0	0	110.8	P750 P754 C757 K782	P750-L752 PolarHBondContact O-N 3.22Å; L752-P754 WeakPolarHBondContact O-CD 3.2Å; L752-C757 VanDerWaalsContact CB-SG 3.54Å; L752-K782 WeakPolarHBondContact CA-O 3.36Å; L752-K782 WeakPolarHBondContact CD2-O 3.41Å
753	D	84.1	Confident	80.8	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-66	126.2	171.5	-179.9	-79.4	0	0	0	110.3	R491 G755 Y756 C757 K782	R491-D753 IonicContact CZ-OD2 3.99Å; R491-D753 IonicContact NE-OD2 2.65Å; R491-D753 PolarHBondContact NE-OD2 3.24Å; R491-D753 IonicContact NH2-OD1 2.66Å; R491-D753 PolarHBondContact NH2-OD1 2.88Å; R491-D753 IonicContact NH2-OD2 2.69Å; R491-D753 PolarHBondContact NH2-OD2 3.31Å; D753-G755 VanDerWaalsContact C-N 3.28Å; D753-G755 PolarHBondContact O-N 2.96Å; D753-G755 VanDerWaalsContact OD1-CA 3.25Å; D753-G755 WeakPolarHBondContact OD1-CA 3.09Å; D753-G755 PolarHBondContact OD1-N 3.11Å; D753-Y756 PolarHBondContact O-N 2.88Å; D753-Y756 PolarHBondContact OD1-N 3.21Å; D753-Y756 VanDerWaalsContact OD1-N 3.08Å; D753-C757 PolarHBondContact O-N 2.88Å; D753-C757 PolarHBondContact O-SG 3.23Å; D753-C757 VanDerWaalsContact O-SG 3.39Å; D753-K782 PolarHBondContact N-O 3.35Å; D753-K782 VanDerWaalsContact N-O 3.12Å
754	P	83.9	Confident	78.9	Confident	12 Å²	12	39.9 Å²	39.9	8%	0.078	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-33.3	-178.4	-27.4	36.1	0	0	0	114.5	Y488 R491 K492 A495 L752 C757 V758	Y488-P754 HydrophobicContact CD2-CG 4.17Å; Y488-P754 HydrophobicContact CE2-CG 4Å; R491-P754 HydrophobicContact CB-CG 3.93Å; K492-P754 HydrophobicContact CB-CB 4.21Å; K492-P754 HydrophobicContact CB-CG 4.2Å; A495-P754 HydrophobicContact CB-CB 4.01Å; L752-P754 WeakPolarHBondContact O-CD 3.2Å; P754-C757 WeakPolarHBondContact O-CB 3.44Å; P754-C757 PolarHBondContact O-N 3.19Å; P754-V758 WeakPolarHBondContact O-CG2 3.47Å; P754-V758 PolarHBondContact O-N 3.44Å
755	G	76.9	Confident	77	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-70.1	-42.2	176	0	0	0	0	0	112.5	D753 C757 V758 Q759	D753-G755 VanDerWaalsContact C-N 3.28Å; D753-G755 PolarHBondContact O-N 2.96Å; D753-G755 VanDerWaalsContact OD1-CA 3.25Å; D753-G755 WeakPolarHBondContact OD1-CA 3.09Å; D753-G755 PolarHBondContact OD1-N 3.11Å; G755-C757 VanDerWaalsContact C-N 3.29Å; G755-C757 PolarHBondContact O-N 3.34Å; G755-V758 PolarHBondContact O-N 3.47Å; G755-Q759 PolarHBondContact O-N 3.38Å
756	Y	75.6	Confident	74.7	Confident	8 Å²	8	51.5 Å²	51.5	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-41.8	169.6	168.8	-99.6	0	0	0	111.5	D753 Q759 K760 D773 M780 K782	D753-Y756 PolarHBondContact O-N 2.88Å; D753-Y756 PolarHBondContact OD1-N 3.21Å; D753-Y756 VanDerWaalsContact OD1-N 3.08Å; Y756-Q759 PolarHBondContact O-N 2.89Å; Y756-K760 HydrophobicContact CE1-CD 4.21Å; Y756-K760 VanDerWaalsContact O-CB 3.29Å; Y756-K760 WeakPolarHBondContact O-CB 3.29Å; Y756-K760 PolarHBondContact O-N 2.99Å; Y756-D773 PolarHBondContact OH-OD1 2.6Å; Y756-D773 VanDerWaalsContact OH-OD1 3.12Å; Y756-M780 HydrophobicContact CD2-CB 4.06Å; Y756-K782 HydrophobicContact CE1-CG 4.38Å; Y756-K782 HydrophobicContact CE2-CG 4.25Å
757	C	74.7	Confident	72.1	Confident	49 Å²	49	55.2 Å²	55.2	33%	0.331	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-43.1	176.1	-69.2	0	0	0	0	112.8	L752 D753 P754 G755 S761	L752-C757 VanDerWaalsContact CB-SG 3.54Å; D753-C757 PolarHBondContact O-N 2.88Å; D753-C757 PolarHBondContact O-SG 3.23Å; D753-C757 VanDerWaalsContact O-SG 3.39Å; P754-C757 WeakPolarHBondContact O-CB 3.44Å; P754-C757 PolarHBondContact O-N 3.19Å; G755-C757 VanDerWaalsContact C-N 3.29Å; G755-C757 PolarHBondContact O-N 3.34Å; C757-S761 WeakPolarHBondContact O-CB 3.42Å; C757-S761 PolarHBondContact O-N 2.98Å
758	V	73.3	Confident	69.5	Low	44 Å²	44	58.7 Å²	58.7	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-50.1	175.5	170.8	0	0	0	0	110.6	A495 P754 G755 K760 S761 M762	A495-V758 HydrophobicContact CB-CG2 4.3Å; P754-V758 WeakPolarHBondContact O-CG2 3.47Å; P754-V758 PolarHBondContact O-N 3.44Å; G755-V758 PolarHBondContact O-N 3.47Å; V758-K760 VanDerWaalsContact C-N 3.35Å; V758-K760 PolarHBondContact O-N 3.01Å; V758-S761 PolarHBondContact O-N 3.37Å; V758-M762 HydrophobicContact CG1-SD 4.46Å; V758-M762 WeakPolarHBondContact O-CG 3.38Å; V758-M762 PolarHBondContact O-N 2.85Å
759	Q	68.4	Low	66.7	Low	38 Å²	38	64.4 Å²	64.4	18%	0.178	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-43.1	178.9	-70.5	-159.2	1.6	0	0	112.4	G417 G755 Y756 S761 M762 G763 M780	G417-Q759 PolarHBondContact O-NE2 2.8Å; G417-Q759 VanDerWaalsContact O-NE2 3.11Å; G755-Q759 PolarHBondContact O-N 3.38Å; Y756-Q759 PolarHBondContact O-N 2.89Å; Q759-S761 PolarHBondContact O-N 2.74Å; Q759-M762 PolarHBondContact O-N 2.77Å; Q759-G763 PolarHBondContact O-N 2.7Å; Q759-M780 HydrophobicContact CG-CE 4.38Å; Q759-M780 HydrophobicContact CG-SD 4.44Å
760	K	68.1	Low	64.4	Low	113 Å²	113	64.7 Å²	64.7	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-41.2	176.7	-174.8	174.1	179.3	175	0	112.2	Y756 V758 M762 G763 S764	Y756-K760 HydrophobicContact CE1-CD 4.21Å; Y756-K760 VanDerWaalsContact O-CB 3.29Å; Y756-K760 WeakPolarHBondContact O-CB 3.29Å; Y756-K760 PolarHBondContact O-N 2.99Å; V758-K760 VanDerWaalsContact C-N 3.35Å; V758-K760 PolarHBondContact O-N 3.01Å; K760-M762 VanDerWaalsContact C-N 3.33Å; K760-M762 PolarHBondContact O-N 3.06Å; K760-G763 PolarHBondContact O-N 2.91Å; K760-S764 WeakPolarHBondContact O-CB 3.44Å; K760-S764 PolarHBondContact O-N 3.49Å
761	S	64.3	Low	62.4	Low	68 Å²	68	68.5 Å²	68.5	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-36.6	175.4	-174.4	0	0	0	0	112.4	C757 V758 Q759	C757-S761 WeakPolarHBondContact O-CB 3.42Å; C757-S761 PolarHBondContact O-N 2.98Å; V758-S761 PolarHBondContact O-N 3.37Å; Q759-S761 PolarHBondContact O-N 2.74Å
762	M	60.8	Low	60.4	Low	72 Å²	72	77.7 Å²	77.7	36%	0.355	44%	0.443	S	S	.	.	H	α-helix	trans	-70.5	-43	175	-66.3	-168.3	80.1	0	0	112.5	K411 P412 V758 Q759 K760 K765 F766	K411-M762 HydrophobicContact CG-CE 4.49Å; P412-M762 HydrophobicContact CG-SD 4.25Å; V758-M762 HydrophobicContact CG1-SD 4.46Å; V758-M762 WeakPolarHBondContact O-CG 3.38Å; V758-M762 PolarHBondContact O-N 2.85Å; Q759-M762 PolarHBondContact O-N 2.77Å; K760-M762 VanDerWaalsContact C-N 3.33Å; K760-M762 PolarHBondContact O-N 3.06Å; M762-K765 PolarHBondContact O-N 3.4Å; M762-F766 WeakPolarHBondContact O-CD2 3.42Å
763	G	52.3	Low	58.8	Low	39 Å²	39	76.4 Å²	76.4	40%	0.402	44%	0.437	S	S	.	.	H	α-helix	trans	-65.4	-37	177.4	0	0	0	0	0	113.5	Q759 K760 K765 F766	Q759-G763 PolarHBondContact O-N 2.7Å; K760-G763 PolarHBondContact O-N 2.91Å; G763-K765 PolarHBondContact O-N 2.76Å; G763-K765 VanDerWaalsContact O-N 3.07Å; G763-F766 PolarHBondContact O-N 3.27Å; G763-F766 VanDerWaalsContact O-N 3.11Å
764	S	53.3	Low	57.2	Low	88 Å²	88	79 Å²	79	62%	0.615	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-14	178.1	-171	0	0	0	0	114.3	K760 F766	K760-S764 WeakPolarHBondContact O-CB 3.44Å; K760-S764 PolarHBondContact O-N 3.49Å; S764-F766 VanDerWaalsContact C-N 3.28Å
765	K	49.6	Very low	56.1	Low	126 Å²	126	81 Å²	81	55%	0.548	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.6	176.7	-67.4	178.8	-179.5	-177.7	0	113.5	M359 M762 G763	M359-K765 PolarHBondContact SD-NZ 3.31Å; M359-K765 VanDerWaalsContact SD-NZ 3.37Å; M762-K765 PolarHBondContact O-N 3.4Å; G763-K765 PolarHBondContact O-N 2.76Å; G763-K765 VanDerWaalsContact O-N 3.07Å
766	F	45	Very low	55.2	Low	170 Å²	170	84.4 Å²	84.4	75%	0.746	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-5.1	-174.7	-60	-76.4	0	0	0	114.6	M762 G763 S764	M762-F766 WeakPolarHBondContact O-CD2 3.42Å; G763-F766 PolarHBondContact O-N 3.27Å; G763-F766 VanDerWaalsContact O-N 3.11Å; S764-F766 VanDerWaalsContact C-N 3.28Å
767	C	39.5	Very low	54.3	Low	78 Å²	78	84.4 Å²	84.4	53%	0.527	50%	0.501	S	S	.	.			trans	-131.8	120.9	177.9	-70.7	0	0	0	0	110.9
768	T	40	Very low	53.5	Low	160 Å²	160	86.9 Å²	86.9	98%	0.982	51%	0.506	S	S	*	.			trans	-89.2	-3.2	178.1	19	0	0	0	0	114.6
769	D	35.3	Very low	52.6	Low	121 Å²	121	90 Å²	90	65%	0.647	51%	0.514	S	S	*	.	S	Bend	trans	-96.1	144.7	178.4	-172.1	31.1	0	0	0	112.6	R772	D769-R772 IonicContact OD2-NH2 2.81Å; D769-R772 PolarHBondContact OD2-NH2 3.37Å; D769-R772 VanDerWaalsContact OD2-NH2 3.09Å
770	G	43.7	Very low	52.1	Low	46 Å²	46	88.9 Å²	88.9	47%	0.474	51%	0.509	S	S	.	.			trans	-77.8	150.2	-162.5	0	0	0	0	0	116.2	R772	G770-R772 VanDerWaalsContact C-N 3.3Å; G770-R772 PolarHBondContact O-N 3.06Å
771	A	45.4	Very low	51.8	Low	116 Å²	116	84.4 Å²	84.4	96%	0.959	49%	0.492	S	S	*	.	S	Bend	trans	57.4	18.3	150.9	0	0	0	0	0	119.4
772	R	47.3	Very low	52.3	Low	195 Å²	195	85.8 Å²	85.8	74%	0.736	49%	0.489	S	S	*	.			trans	-109.3	129.3	168	-74.2	-175	-82.4	-164.5	-3.4	111.4	D769 G770 A774	D769-R772 IonicContact OD2-NH2 2.81Å; D769-R772 PolarHBondContact OD2-NH2 3.37Å; D769-R772 VanDerWaalsContact OD2-NH2 3.09Å; G770-R772 VanDerWaalsContact C-N 3.3Å; G770-R772 PolarHBondContact O-N 3.06Å; R772-A774 PolarHBondContact O-N 3.38Å; R772-A774 VanDerWaalsContact O-N 3.11Å
773	D	54.2	Low	53.3	Low	56 Å²	56	84 Å²	84	30%	0.299	48%	0.482	S	S	.	.			trans	-65.2	109.1	173.4	-58.9	-55.2	0	0	0	109.2	Y756 K778 K782	Y756-D773 PolarHBondContact OH-OD1 2.6Å; Y756-D773 VanDerWaalsContact OH-OD1 3.12Å; D773-K778 HydrophobicContact CB-CB 4.08Å; D773-K782 IonicContact OD1-NZ 3.69Å; D773-K782 PolarHBondContact OD1-NZ 2.86Å; D773-K782 WeakPolarHBondContact OD2-CE 3.31Å; D773-K782 IonicContact OD2-NZ 2.61Å; D773-K782 PolarHBondContact OD2-NZ 3.35Å
774	A	50	Low	55	Low	59 Å²	59	82.2 Å²	82.2	49%	0.488	46%	0.463	S	S	.	.			trans	-100.6	151.4	-175.8	0	0	0	0	0	112.1	R772 S777	R772-A774 PolarHBondContact O-N 3.38Å; R772-A774 VanDerWaalsContact O-N 3.11Å; A774-S777 PolarHBondContact O-OG 3.46Å; A774-S777 VanDerWaalsContact O-OG 3.12Å
775	G	60.7	Low	56.6	Low	55 Å²	55	78.5 Å²	78.5	57%	0.567	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	67	-132.8	178.2	0	0	0	0	0	113	K778	G775-K778 WeakPolarHBondContact O-CE 3.35Å; G775-K778 WeakPolarHBondContact O-CG 3.5Å
776	L	57.3	Low	58.6	Low	71 Å²	71	72.5 Å²	72.5	37%	0.372	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-77.4	-24.2	-175.8	-66.6	-175	0	0	0	113.8	M418 M421 K778 Y779	M418-L776 HydrophobicContact CG-CD1 4.49Å; M421-L776 HydrophobicContact SD-CB 3.58Å; M421-L776 VanDerWaalsContact SD-CB 3.58Å; M421-L776 HydrophobicContact SD-CD1 3.84Å; M421-L776 HydrophobicContact SD-CD2 3.71Å; M421-L776 HydrophobicContact SD-CG 3.87Å; L776-K778 PolarHBondContact O-N 2.81Å; L776-Y779 PolarHBondContact O-N 3Å
777	S	58.3	Low	60.8	Low	8 Å²	8	65.6 Å²	65.6	6%	0.056	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-63	-19.4	-173.1	74.5	0	0	0	0	114.4	A774 Y779 M780	A774-S777 PolarHBondContact O-OG 3.46Å; A774-S777 VanDerWaalsContact O-OG 3.12Å; S777-Y779 PolarHBondContact O-N 3.25Å; S777-M780 PolarHBondContact O-N 3.15Å
778	K	57.1	Low	63.4	Low	102 Å²	102	61.9 Å²	61.9	44%	0.443	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-67.1	-16.2	175.1	67.2	-179.8	151.1	141.1	0	114.3	D773 G775 L776	D773-K778 HydrophobicContact CB-CB 4.08Å; G775-K778 WeakPolarHBondContact O-CE 3.35Å; G775-K778 WeakPolarHBondContact O-CG 3.5Å; L776-K778 PolarHBondContact O-N 2.81Å
779	Y	54.8	Low	66	Low	110 Å²	110	55 Å²	55	43%	0.431	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-106.4	-3.6	-178.3	-61.5	-65.7	0	0	0	113.2	M421 L776 S777	M421-Y779 VanDerWaalsContact CE-CB 3.47Å; M421-Y779 HydrophobicContact CE-CD2 4.01Å; M421-Y779 HydrophobicContact CE-CG 4.08Å; L776-Y779 PolarHBondContact O-N 3Å; S777-Y779 PolarHBondContact O-N 3.25Å
780	M	57.9	Low	68.7	Low	14 Å²	14	49.2 Å²	49.2	7%	0.069	28%	0.284	C	S	.	.	S	Bend	trans	-87	151.1	177.5	-71.2	-170.9	158.3	0	0	112.2	L420 M421 T424 Y756 Q759 S777	L420-M780 HydrophobicContact CB-CE 4.22Å; L420-M780 HydrophobicContact CD2-CE 3.47Å; L420-M780 VanDerWaalsContact CD2-CE 3.47Å; L420-M780 HydrophobicContact CD2-SD 4.18Å; L420-M780 HydrophobicContact CG-CE 4.45Å; M421-M780 HydrophobicContact CB-CE 4.31Å; M421-M780 HydrophobicContact CG-CE 3.49Å; M421-M780 VanDerWaalsContact CG-CE 3.49Å; M421-M780 HydrophobicContact CG-CG 4.14Å; T424-M780 HydrophobicContact CG2-CB 4.23Å; Y756-M780 HydrophobicContact CD2-CB 4.06Å; Q759-M780 HydrophobicContact CG-CE 4.38Å; Q759-M780 HydrophobicContact CG-SD 4.44Å; S777-M780 PolarHBondContact O-N 3.15Å
781	S	61.2	Low	71	Confident	19 Å²	19	47 Å²	47	13%	0.133	26%	0.262	C	S	.	.			trans	-58.6	135.3	160	65	0	0	0	0	108.5	T424	T424-S781 VanDerWaalsContact CG2-OG 3.23Å; T424-S781 WeakPolarHBondContact CG2-OG 3.14Å
782	K	75.3	Confident	73	Confident	96 Å²	96	41.5 Å²	41.5	42%	0.417	22%	0.216	S	C	.	.	S	Bend	trans	-86.2	-31.7	178.2	-64.3	-170.1	176.3	-167.6	0	111.5	L752 D753 Y756 D773	L752-K782 WeakPolarHBondContact CA-O 3.36Å; L752-K782 WeakPolarHBondContact CD2-O 3.41Å; D753-K782 PolarHBondContact N-O 3.35Å; D753-K782 VanDerWaalsContact N-O 3.12Å; Y756-K782 HydrophobicContact CE1-CG 4.38Å; Y756-K782 HydrophobicContact CE2-CG 4.25Å; D773-K782 IonicContact OD1-NZ 3.69Å; D773-K782 PolarHBondContact OD1-NZ 2.86Å; D773-K782 WeakPolarHBondContact OD2-CE 3.31Å; D773-K782 IonicContact OD2-NZ 2.61Å; D773-K782 PolarHBondContact OD2-NZ 3.35Å
783	T	81.4	Confident	74.8	Confident	34 Å²	34	32.2 Å²	32.2	21%	0.209	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-105.7	151.9	-179	53.3	0	0	0	0	111.5	P750 C751 P785	P750-T783 HydrophobicContact CB-CG2 3.86Å; C751-T783 CarbonylContact O-C 3.58Å; C751-T783 WeakPolarHBondContact O-CA 3.49Å; T783-P785 WeakPolarHBondContact O-CD 3.26Å
784	L	86.8	Confident	76.1	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.171	C	C	.	.			trans	-98.2	99	172.5	-176.1	66.1	0	0	0	109.9	Y487 Y488 R491 I597 C751	Y487-L784 HydrophobicContact CD1-CD2 4.4Å; Y487-L784 HydrophobicContact CD1-CG 4.49Å; Y487-L784 HydrophobicContact CE1-CD1 3.68Å; Y487-L784 HydrophobicContact CE1-CD2 4.31Å; Y487-L784 HydrophobicContact CE1-CG 4.02Å; Y488-L784 HydrophobicContact CD2-CD2 4.21Å; R491-L784 HydrophobicContact CB-CD2 4.36Å; R491-L784 HydrophobicContact CG-CD1 3.97Å; R491-L784 HydrophobicContact CG-CD2 4.19Å; I597-L784 HydrophobicContact CD1-CD2 4.12Å; I597-L784 HydrophobicContact CD1-CG 4.18Å; C751-L784 PolarHBondContact O-N 3.45Å
785	P	88.2	Confident	77.4	Confident	10 Å²	10	28.7 Å²	28.7	7%	0.065	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	157.2	168.9	35.1	-35.4	0	0	0	111	Y594 F595 T783	Y594-P785 HydrophobicContact CD1-CB 4.01Å; Y594-P785 HydrophobicContact CD1-CG 3.92Å; F595-P785 CarbonylContact O-C 3.47Å; F595-P785 WeakPolarHBondContact O-CA 3.33Å; T783-P785 WeakPolarHBondContact O-CD 3.26Å
786	L	90.6	Very high	77.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.2	163.4	-176.6	68.1	0	0	0	108.5	V480 L483 A484 Y487 F508 F595 I597 L617 V788	V480-L786 HydrophobicContact CG1-CD2 4.3Å; L483-L786 HydrophobicContact CD2-CD1 4.33Å; L483-L786 HydrophobicContact CD2-CD2 4.11Å; L483-L786 HydrophobicContact CG-CD1 4.34Å; L483-L786 HydrophobicContact CG-CD2 4.38Å; A484-L786 HydrophobicContact CB-CD2 4.46Å; Y487-L786 HydrophobicContact CD1-CD1 3.86Å; Y487-L786 HydrophobicContact CE1-CD1 4.49Å; Y487-L786 HydrophobicContact CG-CD1 4.33Å; F508-L786 HydrophobicContact CD2-CD1 3.93Å; F508-L786 HydrophobicContact CE2-CD1 4.1Å; F508-L786 HydrophobicContact CG-CD1 4.18Å; F508-L786 HydrophobicContact CZ-CD1 4.49Å; F595-L786 PolarHBondContact N-O 2.98Å; F595-L786 PolarHBondContact O-N 2.9Å; I597-L786 HydrophobicContact CD1-CB 4.23Å; I597-L786 HydrophobicContact CG1-CB 4.14Å; L617-L786 HydrophobicContact CD1-CB 4.27Å; L617-L786 HydrophobicContact CD1-CD2 4.24Å; L617-L786 HydrophobicContact CD2-CD2 3.67Å; L786-V788 HydrophobicContact CD2-CG2 4.29Å; L786-V788 HydrophobicContact CG-CG2 4.27Å
787	P	91.7	Very high	78.4	Confident	25 Å²	25	33.3 Å²	33.3	16%	0.162	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.7	172	29.3	-28.8	0	0	0	110	F508 P592 Y594	F508-P787 WeakPolarHBondContact CB-O 3.48Å; F508-P787 HydrophobicContact CD2-CG 4.19Å; F508-P787 WeakPolarHBondContact CD2-O 3.42Å; P592-P787 HydrophobicContact CB-CB 3.88Å; Y594-P787 HydrophobicContact CD1-CB 3.88Å; Y594-P787 HydrophobicContact CE1-CB 3.78Å; Y594-P787 HydrophobicContact CE1-CG 4.48Å
788	V	93.6	Very high	79.5	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121	171	-176.4	0	0	0	0	108.5	L541 V593 F595 L786	L541-V788 HydrophobicContact CD1-CG1 3.9Å; V593-V788 PolarHBondContact N-O 3.44Å; V593-V788 PolarHBondContact O-N 2.88Å; F595-V788 HydrophobicContact CD2-CB 4.37Å; F595-V788 HydrophobicContact CD2-CG2 3.95Å; F595-V788 HydrophobicContact CE2-CB 4.06Å; F595-V788 HydrophobicContact CE2-CG2 4.03Å; L786-V788 HydrophobicContact CD2-CG2 4.29Å; L786-V788 HydrophobicContact CG-CG2 4.27Å
789	N	94.2	Very high	80.7	Confident	14 Å²	14	30.9 Å²	30.9	8%	0.075	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.3	-175.8	-76.8	-9.1	0	0	0	112	F508 Y509 Y585 G589	F508-N789 PolarHBondContact O-N 2.88Å; Y509-N789 HydrophobicContact CD1-CB 3.95Å; Y509-N789 HydrophobicContact CE1-CB 3.59Å; Y509-N789 PolarHBondContact OH-ND2 3.16Å; Y585-N789 WeakPolarHBondContact CE2-O 3.48Å; Y585-N789 PolarHBondContact OH-O 3.29Å; G589-N789 WeakPolarHBondContact O-CB 3.44Å
790	T	93.1	Very high	82.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-174.9	164.3	71.6	0	0	0	0	110.3	L541 D545 Y548 G589 Q590 Q591 V593 G793	L541-T790 HydrophobicContact CB-CG2 4.46Å; L541-T790 HydrophobicContact CD1-CG2 4.17Å; L541-T790 HydrophobicContact CD2-CG2 3.81Å; L541-T790 HydrophobicContact CG-CG2 4.37Å; D545-T790 WeakPolarHBondContact OD2-CB 3.01Å; D545-T790 PolarHBondContact OD2-OG1 3.48Å; D545-T790 VanDerWaalsContact OD2-OG1 3.06Å; Y548-T790 HydrophobicContact CD2-CG2 3.88Å; Y548-T790 HydrophobicContact CE2-CG2 4.34Å; Y548-T790 HydrophobicContact CG-CG2 4.25Å; G589-T790 CarbonylContact C-O 3.59Å; G589-T790 VanDerWaalsContact C-O 3.25Å; G589-T790 VanDerWaalsContact CA-O 3.23Å; G589-T790 WeakPolarHBondContact CA-O 3.41Å; Q590-T790 PolarHBondContact N-O 3.1Å; Q591-T790 PolarHBondContact N-O 3.27Å; Q591-T790 PolarHBondContact O-N 3.29Å; V593-T790 HydrophobicContact CG2-CG2 4.26Å; T790-G793 VanDerWaalsContact OG1-CA 3.25Å; T790-G793 WeakPolarHBondContact OG1-CA 3.34Å; T790-G793 PolarHBondContact OG1-N 2.94Å
791	F	91.8	Very high	83.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-77.9	-42.7	-176.4	-63.2	-84.6	0	0	0	111.4	H94 D545 W547 N551 V552 Y584 Y585 Q591	H94-F791 PolarHBondContact NE2-O 3.5Å; D545-F791 WeakPolarHBondContact OD2-CB 3.35Å; D545-F791 PolarHBondContact OD2-N 2.91Å; W547-F791 HydrophobicContact CB-CB 4.41Å; W547-F791 HydrophobicContact CB-CD2 4.42Å; W547-F791 AromaticContact CD1-CD1 3.66Å; W547-F791 AromaticContact CD1-CD2 3.77Å; W547-F791 AromaticContact CD1-CG 3.42Å; W547-F791 VanDerWaalsContact CD1-CG 3.42Å; W547-F791 HydrophobicContact CG-CB 4.45Å; W547-F791 HydrophobicContact CG-CD2 4.36Å; W547-F791 HydrophobicContact CG-CG 4.34Å; W547-F791 AromaticContact NE1-CD1 3.99Å; N551-F791 HydrophobicContact CB-CE2 4.38Å; N551-F791 HydrophobicContact CB-CZ 4.37Å; V552-F791 HydrophobicContact CG2-CE2 3.82Å; V552-F791 HydrophobicContact CG2-CZ 4.18Å; Y584-F791 AromaticContact CD1-CE1 3.89Å; Y584-F791 HydrophobicContact CD1-CE1 3.89Å; Y584-F791 HydrophobicContact CD1-CZ 4.04Å; Y584-F791 HydrophobicContact CE1-CD1 4.41Å; Y584-F791 AromaticContact CE1-CE1 3.45Å; Y584-F791 HydrophobicContact CE1-CE1 3.45Å; Y584-F791 VanDerWaalsContact CE1-CE1 3.45Å; Y584-F791 AromaticContact CE1-CZ 3.8Å; Y584-F791 HydrophobicContact CE1-CZ 3.8Å; Y585-F791 HydrophobicContact CD2-CE1 4.26Å; Y585-F791 AromaticContact CD2-CE2 3.85Å; Y585-F791 HydrophobicContact CD2-CE2 3.85Å; Y585-F791 AromaticContact CD2-CZ 3.68Å; Y585-F791 HydrophobicContact CD2-CZ 3.68Å; Y585-F791 HydrophobicContact CE2-CE2 4.35Å; Y585-F791 HydrophobicContact CG-CZ 4.24Å; Q591-F791 WeakPolarHBondContact CG-O 3.33Å
792	A	87.1	Confident	85.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-110.8	-16.3	-178.4	0	0	0	0	0	114	I90 P127 D545 Q591 I795	I90-A792 HydrophobicContact CD1-CB 3.83Å; I90-A792 HydrophobicContact CG2-CB 4.11Å; P127-A792 WeakPolarHBondContact CB-O 3.32Å; P127-A792 HydrophobicContact CG-CB 4.19Å; P127-A792 WeakPolarHBondContact CG-O 3.31Å; D545-A792 PolarHBondContact OD2-N 2.94Å; Q591-A792 VanDerWaalsContact CB-C 3.48Å; A792-I795 HydrophobicContact CB-CD1 3.53Å; A792-I795 HydrophobicContact CB-CG1 3.53Å
793	G	85.1	Confident	86	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	73.5	-134.1	-164	0	0	0	0	0	109.8	Q591 T790	Q591-G793 VanDerWaalsContact CB-N 3.29Å; T790-G793 VanDerWaalsContact OG1-CA 3.25Å; T790-G793 WeakPolarHBondContact OG1-CA 3.34Å; T790-G793 PolarHBondContact OG1-N 2.94Å
794	I	82.3	Confident	86.3	Confident	15 Å²	15	21.8 Å²	21.8	8%	0.077	12%	0.119	C	C	.	.			trans	-95.3	112.3	178	-59.6	171.7	0	0	0	109.7	Q448 A451 V544 V593 L690	Q448-I794 HydrophobicContact CB-CD1 4.31Å; Q448-I794 HydrophobicContact CG-CD1 4.44Å; A451-I794 HydrophobicContact CB-CB 4.38Å; A451-I794 HydrophobicContact CB-CD1 4.03Å; A451-I794 HydrophobicContact CB-CG1 4.1Å; V544-I794 HydrophobicContact CB-CB 4.34Å; V544-I794 HydrophobicContact CB-CG1 4.14Å; V544-I794 HydrophobicContact CB-CG2 4.16Å; V544-I794 HydrophobicContact CG1-CG1 4.38Å; V544-I794 HydrophobicContact CG1-CG2 4.22Å; V544-I794 HydrophobicContact CG2-CG1 4.17Å; V593-I794 HydrophobicContact CG1-CD1 4.35Å; V593-I794 HydrophobicContact CG1-CG1 4.35Å; V593-I794 HydrophobicContact CG2-CG1 4.27Å; L690-I794 HydrophobicContact CD1-CD1 4.47Å
795	I	77.7	Confident	86.3	Confident	26 Å²	26	23.4 Å²	23.4	13%	0.133	13%	0.128	C	C	.	.			trans	-91.4	127.8	167.9	-48.4	-175.8	0	0	0	108.7	I90 P127 V544 A792	I90-I795 HydrophobicContact CD1-CD1 4.45Å; P127-I795 HydrophobicContact CG-CG1 4.1Å; V544-I795 PolarHBondContact O-N 3.02Å; A792-I795 HydrophobicContact CB-CD1 3.53Å; A792-I795 HydrophobicContact CB-CG1 3.53Å
796	N	60.1	Low	86.1	Confident	190 Å²	190	24.6 Å²	24.6	100%	1.016	13%	0.134	S	C	*	.			trans	-104.5	0	168.8	-56.2	-84.9	0	0	0	110.6

Retrieved 796 of 796 residues in 490.9 ms (Link to these results)

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