A0A087XNV8_POEFO Loading...

RAN binding protein 10

AlphaFold DB , UniProt , Accession A0A087XNV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 617 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	34.7	Very low	33.9	Very low	251 Å²	251	141.1 Å²	141.1	100%	1.236	88%	0.883	S	S	*	*				0	124.2	0	-62	178.3	-175.6	0	0	107.1
2	A	35.1	Very low	33.9	Very low	100 Å²	100	134.7 Å²	134.7	83%	0.826	86%	0.864	S	S	*	*			cis	-143.4	157.2	-6.8	0	0	0	0	0	108.9
3	E	31.1	Very low	34.4	Very low	195 Å²	195	138.1 Å²	138.1	91%	0.911	86%	0.862	S	S	*	*			trans	-79.7	146.6	-174.6	-65.9	169.4	123.4	0	0	112.6	G5	E3-G5 PolarHBondContact O-N 3.39Å
4	L	36.2	Very low	35	Very low	180 Å²	180	136.6 Å²	136.6	94%	0.942	86%	0.855	S	S	*	*			trans	-87.2	91	166.6	-78.9	165.6	0	0	0	109.3	A6	L4-A6 PolarHBondContact O-N 3.28Å
5	G	29.9	Very low	35.9	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	85%	0.846	S	S	*	*			trans	-73.6	100.6	173	0	0	0	0	0	111.8	E3 G7	E3-G5 PolarHBondContact O-N 3.39Å; G5-G7 PolarHBondContact O-N 2.95Å
6	A	32.4	Very low	37.2	Very low	100 Å²	100	129 Å²	129	83%	0.826	81%	0.811	S	S	*	*			trans	-75.3	106.7	168.1	0	0	0	0	0	109.8	L4 S8	L4-A6 PolarHBondContact O-N 3.28Å; A6-S8 PolarHBondContact O-N 3.12Å
7	G	28.8	Very low	39.2	Very low	79 Å²	79	123.8 Å²	123.8	81%	0.814	78%	0.78	S	S	*	*			trans	-71.3	108.8	175.3	0	0	0	0	0	111.6	G5 L9	G5-G7 PolarHBondContact O-N 2.95Å; G7-L9 PolarHBondContact O-N 3.45Å
8	S	31	Very low	41.3	Very low	115 Å²	115	128.4 Å²	128.4	80%	0.804	78%	0.782	S	S	*	*			trans	-74.5	119.8	169.8	37.2	0	0	0	0	110.7	A6	A6-S8 PolarHBondContact O-N 3.12Å
9	L	35	Very low	43.3	Very low	150 Å²	150	129.2 Å²	129.2	79%	0.785	78%	0.775	S	S	*	*			trans	-70.1	130.8	167.6	-70.5	166.8	0	0	0	109.4	G7 L11	G7-L9 PolarHBondContact O-N 3.45Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.87Å
10	P	36.5	Very low	45.2	Very low	130 Å²	130	126.9 Å²	126.9	84%	0.844	76%	0.756	S	S	*	*			trans	-76.1	87.4	169.6	31.1	-32.2	0	0	0	109.6	G12	P10-G12 PolarHBondContact O-N 2.89Å
11	L	42.6	Very low	47.2	Very low	173 Å²	173	125.2 Å²	125.2	91%	0.906	74%	0.741	S	S	*	*			trans	-82.8	94.6	165.1	-96.1	162.4	0	0	0	109.2	L9	L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.87Å
12	G	33.2	Very low	49.9	Very low	64 Å²	64	119.3 Å²	119.3	66%	0.66	71%	0.71	S	S	*	*			trans	-152.4	116.5	167.1	0	0	0	0	0	109	P10	P10-G12 PolarHBondContact O-N 2.89Å
13	E	40.4	Very low	52.6	Low	179 Å²	179	119.3 Å²	119.3	84%	0.836	69%	0.693	S	S	*	*			trans	-60.9	144.5	165.4	-68.6	-164.3	141.8	0	0	108.8	A15	E13-A15 PolarHBondContact O-N 3.22Å
14	P	43.1	Very low	55.6	Low	117 Å²	117	110.4 Å²	110.4	76%	0.76	65%	0.651	S	S	*	*			trans	-65.1	108.8	174.4	27.5	-32.5	0	0	0	108.5	F16	P14-F16 PolarHBondContact O-N 2.95Å
15	A	48.8	Very low	58.4	Low	87 Å²	87	104 Å²	104	72%	0.719	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-52.6	139.7	169	0	0	0	0	0	109.2	E13 S17	E13-A15 PolarHBondContact O-N 3.22Å; A15-S17 PolarHBondContact O-N 3.32Å
16	F	56.2	Low	61.5	Low	65 Å²	65	104.9 Å²	104.9	29%	0.285	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-49.8	117.8	173.1	-150.6	-92.3	0	0	0	107.9	P14 Q20 E21 N60 Q208	P14-F16 PolarHBondContact O-N 2.95Å; F16-Q20 HydrophobicContact CD1-CB 3.89Å; F16-Q20 HydrophobicContact CE1-CB 3.58Å; F16-Q20 HydrophobicContact CZ-CB 4.16Å; F16-E21 HydrophobicContact CD1-CB 4.11Å; F16-E21 HydrophobicContact CE1-CB 4.26Å; F16-N60 HydrophobicContact CD2-CB 4.1Å; F16-N60 HydrophobicContact CE2-CB 4.48Å; F16-Q208 HydrophobicContact CZ-CG 4.11Å
17	S	71.4	Confident	64.5	Low	41 Å²	41	102.6 Å²	102.6	29%	0.287	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-69.9	142.6	-171.4	72.4	0	0	0	0	109.2	A15 Q19 Q20 E21	A15-S17 PolarHBondContact O-N 3.32Å; S17-Q19 PolarHBondContact O-N 3.28Å; S17-Q20 PolarHBondContact O-N 3.2Å; S17-Q20 WeakPolarHBondContact OG-CG 3.3Å; S17-Q20 PolarHBondContact OG-N 2.97Å; S17-E21 PolarHBondContact O-N 2.9Å; S17-E21 VanDerWaalsContact O-N 3.14Å
18	Y	77.2	Confident	67.8	Low	207 Å²	207	98.9 Å²	98.9	81%	0.812	53%	0.533	S	S	*	.	H	α-helix	trans	-51.1	-31.5	176.1	-81.9	-78.6	0	0	0	112.4	Q22	Y18-Q22 WeakPolarHBondContact O-CB 3.34Å; Y18-Q22 PolarHBondContact O-N 2.99Å
19	Q	79.8	Confident	70.8	Confident	142 Å²	142	98.9 Å²	98.9	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-64.9	-45.8	174.1	-68.8	172.6	-31.8	0	0	112.7	S17 E21 Q22 E23	S17-Q19 PolarHBondContact O-N 3.28Å; Q19-E21 VanDerWaalsContact C-N 3.33Å; Q19-E21 PolarHBondContact O-N 3.29Å; Q19-Q22 PolarHBondContact O-N 3.31Å; Q19-E23 WeakPolarHBondContact O-CG 3.36Å; Q19-E23 PolarHBondContact O-N 3.04Å
20	Q	80.9	Confident	73.6	Confident	84 Å²	84	100 Å²	100	39%	0.393	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-35.6	177.4	-74	169.2	-5.9	0	0	112.3	F16 S17 L24	F16-Q20 HydrophobicContact CD1-CB 3.89Å; F16-Q20 HydrophobicContact CE1-CB 3.58Å; F16-Q20 HydrophobicContact CZ-CB 4.16Å; S17-Q20 PolarHBondContact O-N 3.2Å; S17-Q20 WeakPolarHBondContact OG-CG 3.3Å; S17-Q20 PolarHBondContact OG-N 2.97Å; Q20-L24 WeakPolarHBondContact O-CB 3.47Å; Q20-L24 PolarHBondContact O-N 3.37Å
21	E	87.7	Confident	76.4	Confident	92 Å²	92	94.3 Å²	94.3	43%	0.43	47%	0.474	S	S	.	.	H	α-helix	trans	-69.2	-39.9	174.5	-174.6	168.6	-150.8	0	0	111.5	F16 S17 Q19 L24 N25	F16-E21 HydrophobicContact CD1-CB 4.11Å; F16-E21 HydrophobicContact CE1-CB 4.26Å; S17-E21 PolarHBondContact O-N 2.9Å; S17-E21 VanDerWaalsContact O-N 3.14Å; Q19-E21 VanDerWaalsContact C-N 3.33Å; Q19-E21 PolarHBondContact O-N 3.29Å; E21-L24 PolarHBondContact O-N 3.02Å; E21-N25 WeakPolarHBondContact O-CB 3.45Å; E21-N25 PolarHBondContact O-N 3.05Å; E21-N25 PolarHBondContact O-ND2 3.35Å; E21-N25 VanDerWaalsContact O-ND2 3.1Å
22	Q	90.3	Very high	79	Confident	127 Å²	127	86.2 Å²	86.2	59%	0.593	43%	0.432	S	S	*	.	H	α-helix	trans	-64.3	-45.6	174.8	-170.7	173.5	0.7	0	0	112	Y18 Q19 L24 N25 E26	Y18-Q22 WeakPolarHBondContact O-CB 3.34Å; Y18-Q22 PolarHBondContact O-N 2.99Å; Q19-Q22 PolarHBondContact O-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.3Å; Q22-N25 PolarHBondContact O-N 3.02Å; Q22-E26 WeakPolarHBondContact O-CG 3.45Å; Q22-E26 PolarHBondContact O-N 3.01Å
23	E	92.9	Very high	81.7	Confident	99 Å²	99	86.3 Å²	86.3	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-60.7	-42.3	174.9	-77	-178.1	-153.8	0	0	112.7	Q19 R27	Q19-E23 WeakPolarHBondContact O-CG 3.36Å; Q19-E23 PolarHBondContact O-N 3.04Å; E23-R27 WeakPolarHBondContact O-CB 3.42Å; E23-R27 PolarHBondContact O-N 2.89Å; E23-R27 IonicContact OE2-NH2 2.73Å
24	L	93.6	Very high	84.1	Confident	8 Å²	8	79.4 Å²	79.4	4%	0.042	40%	0.395	C	S	.	.	H	α-helix	trans	-59.4	-48.5	173.5	173	65.5	0	0	0	110.6	Q20 E21 Q22 E26 R27 L28 G207 Q208	Q20-L24 WeakPolarHBondContact O-CB 3.47Å; Q20-L24 PolarHBondContact O-N 3.37Å; E21-L24 PolarHBondContact O-N 3.02Å; Q22-L24 PolarHBondContact O-N 3.3Å; L24-E26 PolarHBondContact O-N 2.85Å; L24-R27 PolarHBondContact O-N 2.75Å; L24-L28 HydrophobicContact CD1-CD1 3.72Å; L24-L28 HydrophobicContact CD1-CD2 4.41Å; L24-L28 HydrophobicContact CD1-CG 3.87Å; L24-L28 HydrophobicContact CG-CD1 3.95Å; L24-L28 HydrophobicContact CG-CG 4.38Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.14Å; L24-L28 PolarHBondContact O-N 2.63Å; L24-G207 VanDerWaalsContact CD1-C 3.44Å; L24-G207 WeakPolarHBondContact CD1-O 3.19Å; L24-Q208 HydrophobicContact CD1-CG 4.16Å; L24-Q208 HydrophobicContact CD2-CG 4.34Å
25	N	94.6	Very high	86.4	Confident	45 Å²	45	74.9 Å²	74.9	24%	0.241	37%	0.365	C	S	.	.	H	α-helix	trans	-60.4	-45.5	-179.6	-74.1	-31	0	0	0	112.2	E21 Q22 K29 R44	E21-N25 WeakPolarHBondContact O-CB 3.45Å; E21-N25 PolarHBondContact O-N 3.05Å; E21-N25 PolarHBondContact O-ND2 3.35Å; E21-N25 VanDerWaalsContact O-ND2 3.1Å; Q22-N25 PolarHBondContact O-N 3.02Å; N25-K29 WeakPolarHBondContact O-CB 3.43Å; N25-K29 VanDerWaalsContact O-CG 3.26Å; N25-K29 WeakPolarHBondContact O-CG 3.31Å; N25-K29 PolarHBondContact O-N 3.31Å; N25-R44 VanDerWaalsContact OD1-CZ 3.28Å; N25-R44 PolarHBondContact OD1-NH1 3.38Å; N25-R44 PolarHBondContact OD1-NH2 3.32Å
26	E	95.5	Very high	88.5	Confident	99 Å²	99	74 Å²	74	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-68.9	-38	178.6	-65.1	-51.3	122.2	0	0	112.2	Q22 L24 K29 R30	Q22-E26 WeakPolarHBondContact O-CG 3.45Å; Q22-E26 PolarHBondContact O-N 3.01Å; L24-E26 PolarHBondContact O-N 2.85Å; E26-K29 PolarHBondContact O-N 2.89Å; E26-K29 IonicContact OE1-NZ 3.23Å; E26-K29 PolarHBondContact OE1-NZ 2.67Å; E26-R30 WeakPolarHBondContact O-CB 3.43Å; E26-R30 PolarHBondContact O-N 3.15Å
27	R	96.1	Very high	90.2	Very high	51 Å²	51	73.9 Å²	73.9	19%	0.192	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-42.2	175.3	-166.1	173.3	-59.8	104.9	1.3	112.1	E23 L24 R30 L31 G207 Q208	E23-R27 WeakPolarHBondContact O-CB 3.42Å; E23-R27 PolarHBondContact O-N 2.89Å; E23-R27 IonicContact OE2-NH2 2.73Å; L24-R27 PolarHBondContact O-N 2.75Å; R27-R30 PolarHBondContact O-N 2.9Å; R27-L31 HydrophobicContact CG-CD1 4.06Å; R27-L31 WeakPolarHBondContact O-CG 3.32Å; R27-L31 PolarHBondContact O-N 3.37Å; R27-G207 WeakPolarHBondContact CD-O 3.23Å; R27-G207 PolarHBondContact NH1-O 3.47Å; R27-Q208 PolarHBondContact NH1-O 2.76Å
28	L	96.8	Very high	91.2	Very high	2 Å²	2	80.7 Å²	80.7	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-66.3	-40.7	176.4	-69.1	-180	0	0	0	112.2	L24 R30 L31 Y32 L42 R44 F206	L24-L28 HydrophobicContact CD1-CD1 3.72Å; L24-L28 HydrophobicContact CD1-CD2 4.41Å; L24-L28 HydrophobicContact CD1-CG 3.87Å; L24-L28 HydrophobicContact CG-CD1 3.95Å; L24-L28 HydrophobicContact CG-CG 4.38Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 VanDerWaalsContact O-CG 3.28Å; L24-L28 WeakPolarHBondContact O-CG 3.14Å; L24-L28 PolarHBondContact O-N 2.63Å; L28-R30 VanDerWaalsContact C-N 3.34Å; L28-R30 PolarHBondContact O-N 2.94Å; L28-L31 PolarHBondContact O-N 3.13Å; L28-Y32 HydrophobicContact CD2-CD2 3.9Å; L28-Y32 HydrophobicContact CD2-CE2 3.69Å; L28-Y32 WeakPolarHBondContact O-CA 3.45Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 PolarHBondContact O-N 3.38Å; L28-L42 HydrophobicContact CB-CD1 4.02Å; L28-L42 HydrophobicContact CD1-CD1 4.09Å; L28-L42 HydrophobicContact CD2-CD1 4.21Å; L28-L42 HydrophobicContact CG-CD1 4.33Å; L28-R44 HydrophobicContact CD1-CG 4.09Å; L28-F206 WeakPolarHBondContact CD2-O 3.47Å
29	K	94.7	Very high	91.9	Very high	115 Å²	115	75.8 Å²	75.8	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-39	172.8	-73.4	171.2	-171.6	169.9	0	112.6	N25 E26 P33	N25-K29 WeakPolarHBondContact O-CB 3.43Å; N25-K29 VanDerWaalsContact O-CG 3.26Å; N25-K29 WeakPolarHBondContact O-CG 3.31Å; N25-K29 PolarHBondContact O-N 3.31Å; E26-K29 PolarHBondContact O-N 2.89Å; E26-K29 IonicContact OE1-NZ 3.23Å; E26-K29 PolarHBondContact OE1-NZ 2.67Å; K29-P33 VanDerWaalsContact O-CA 3.27Å; K29-P33 WeakPolarHBondContact O-CA 3.46Å; K29-P33 WeakPolarHBondContact O-CB 3.39Å
30	R	94.1	Very high	92.5	Very high	172 Å²	172	71.9 Å²	71.9	65%	0.649	35%	0.346	S	S	*	.	H	α-helix	trans	-66.3	-44.9	177.8	179.7	177.2	174.5	155.2	-1.5	112.1	E26 R27 L28 E216	E26-R30 WeakPolarHBondContact O-CB 3.43Å; E26-R30 PolarHBondContact O-N 3.15Å; R27-R30 PolarHBondContact O-N 2.9Å; L28-R30 VanDerWaalsContact C-N 3.34Å; L28-R30 PolarHBondContact O-N 2.94Å; R30-E216 WeakPolarHBondContact CD-OE1 3.48Å; R30-E216 IonicContact CZ-OE1 3.4Å; R30-E216 IonicContact CZ-OE2 3.66Å; R30-E216 VanDerWaalsContact NE-CD 3.28Å; R30-E216 IonicContact NE-OE1 3.4Å; R30-E216 PolarHBondContact NE-OE1 3.44Å; R30-E216 IonicContact NE-OE2 3.72Å; R30-E216 PolarHBondContact NE-OE2 3.03Å; R30-E216 IonicContact NH2-OE1 2.76Å; R30-E216 IonicContact NH2-OE2 2.75Å; R30-E216 PolarHBondContact NH2-OE2 3.32Å
31	L	95.6	Very high	93.3	Very high	11 Å²	11	70 Å²	70	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-75.6	-38.9	-178.9	-68	170.5	0	0	0	112.9	R27 L28 P33 F211 I215 E216 M219	R27-L31 HydrophobicContact CG-CD1 4.06Å; R27-L31 WeakPolarHBondContact O-CG 3.32Å; R27-L31 PolarHBondContact O-N 3.37Å; L28-L31 PolarHBondContact O-N 3.13Å; L31-P33 WeakPolarHBondContact O-CD 3.38Å; L31-F211 HydrophobicContact CD1-CE2 3.79Å; L31-I215 HydrophobicContact CD2-CG2 3.86Å; L31-E216 HydrophobicContact CD2-CG 3.82Å; L31-M219 HydrophobicContact CD2-CE 4.35Å; L31-M219 HydrophobicContact CD2-SD 3.93Å
32	Y	95.5	Very high	93.8	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.016	32%	0.321	C	S	.	.			trans	-125.4	51.8	-169.9	-46.1	-54.5	0	0	0	112.8	L28 A34 V35 L42 C89 I91 Y92 Y93 M219	L28-Y32 HydrophobicContact CD2-CD2 3.9Å; L28-Y32 HydrophobicContact CD2-CE2 3.69Å; L28-Y32 WeakPolarHBondContact O-CA 3.45Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 PolarHBondContact O-N 3.38Å; Y32-A34 PolarHBondContact O-N 2.99Å; Y32-V35 WeakPolarHBondContact O-CB 3.17Å; Y32-V35 PolarHBondContact O-N 3.19Å; Y32-L42 HydrophobicContact CD2-CD1 3.8Å; Y32-L42 HydrophobicContact CD2-CD2 4.01Å; Y32-L42 HydrophobicContact CE2-CD2 4.48Å; Y32-L42 HydrophobicContact CG-CD1 4.5Å; Y32-L42 HydrophobicContact CG-CD2 4.45Å; Y32-C89 HydrophobicContact CD1-CB 3.78Å; Y32-C89 HydrophobicContact CE1-CB 4.23Å; Y32-C89 HydrophobicContact CG-CB 4.43Å; Y32-I91 WeakPolarHBondContact CE1-O 3.46Å; Y32-Y92 HydrophobicContact CE1-CD2 4.01Å; Y32-Y92 AromaticContact CE2-CD2 4Å; Y32-Y92 HydrophobicContact CE2-CD2 4Å; Y32-Y92 HydrophobicContact CE2-CE2 4.02Å; Y32-Y92 AromaticContact CZ-CD2 3.57Å; Y32-Y92 AromaticContact CZ-CE2 3.97Å; Y32-Y92 WeakPolarHBondContact OH-CD2 3.15Å; Y32-Y93 PolarHBondContact OH-N 3.48Å; Y32-Y93 PolarHBondContact OH-O 3.3Å; Y32-Y93 VanDerWaalsContact OH-O 3.14Å; Y32-M219 HydrophobicContact CD1-CE 4.26Å; Y32-M219 HydrophobicContact CE1-CE 3.67Å
33	P	91.3	Very high	94.2	Very high	65 Å²	65	59.7 Å²	59.7	42%	0.422	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.1	-168.7	28.4	-37.6	0	0	0	115.2	K29 L31	K29-P33 VanDerWaalsContact O-CA 3.27Å; K29-P33 WeakPolarHBondContact O-CA 3.46Å; K29-P33 WeakPolarHBondContact O-CB 3.39Å; L31-P33 WeakPolarHBondContact O-CD 3.38Å
34	A	89.8	Confident	94.5	Very high	35 Å²	35	57.6 Å²	57.6	29%	0.289	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-3.7	176.5	0	0	0	0	0	113.4	Y32	Y32-A34 PolarHBondContact O-N 2.99Å
35	V	92.1	Very high	94.7	Very high	22 Å²	22	58.4 Å²	58.4	13%	0.133	29%	0.287	C	S	.	.			trans	-82.8	119	178.8	179	0	0	0	0	110.2	Y32 E37 T40 L42 P86 A88 C89	Y32-V35 WeakPolarHBondContact O-CB 3.17Å; Y32-V35 PolarHBondContact O-N 3.19Å; V35-E37 HydrophobicContact CG1-CG 4.15Å; V35-E37 PolarHBondContact O-N 3.33Å; V35-T40 WeakPolarHBondContact CG1-O 3.37Å; V35-L42 HydrophobicContact CG1-CD1 4.45Å; V35-L42 HydrophobicContact CG1-CD2 4.34Å; V35-L42 HydrophobicContact CG1-CG 4.12Å; V35-L42 HydrophobicContact CG2-CD2 4.48Å; V35-P86 HydrophobicContact CG1-CB 4.12Å; V35-P86 HydrophobicContact CG1-CG 4.04Å; V35-P86 HydrophobicContact CG2-CB 4.25Å; V35-A88 HydrophobicContact CG2-CB 3.97Å; V35-C89 HydrophobicContact CG2-CB 4.47Å
36	N	91.4	Very high	94.9	Very high	69 Å²	69	56.2 Å²	56.2	37%	0.369	28%	0.276	S	S	.	.			trans	-82.2	104.3	162.8	-177.2	-6.1	0	0	0	108.6	E38 E39 T40	N36-E38 PolarHBondContact O-N 3.24Å; N36-E38 WeakPolarHBondContact OD1-CB 3.42Å; N36-E38 PolarHBondContact OD1-N 3.04Å; N36-E39 HydrophobicContact CB-CB 4.34Å; N36-E39 PolarHBondContact O-N 3.26Å; N36-T40 CarbonylContact O-C 3.57Å; N36-T40 PolarHBondContact O-N 3.44Å; N36-T40 PolarHBondContact O-OG1 2.67Å
37	E	92.9	Very high	95.1	Very high	61 Å²	61	52.2 Å²	52.2	29%	0.285	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.3	179.3	-75.4	-164.6	-94.5	0	0	113.9	V35 P41 L42 R44	V35-E37 HydrophobicContact CG1-CG 4.15Å; V35-E37 PolarHBondContact O-N 3.33Å; E37-P41 WeakPolarHBondContact O-CA 3.39Å; E37-P41 WeakPolarHBondContact O-CB 3.41Å; E37-L42 HydrophobicContact CG-CD1 4.03Å; E37-L42 HydrophobicContact CG-CG 4.11Å; E37-L42 PolarHBondContact OE2-N 2.89Å; E37-R44 VanDerWaalsContact CD-NH2 3.31Å; E37-R44 IonicContact OE1-CZ 3.16Å; E37-R44 IonicContact OE1-NE 2.84Å; E37-R44 IonicContact OE1-NH2 3.52Å; E37-R44 PolarHBondContact OE1-NH2 2.94Å; E37-R44 IonicContact OE2-CZ 3.65Å; E37-R44 IonicContact OE2-NE 2.72Å; E37-R44 PolarHBondContact OE2-NE 3.15Å; E37-R44 IonicContact OE2-NH2 3.47Å; E37-R44 PolarHBondContact OE2-NH2 3.49Å; E37-R44 VanDerWaalsContact OE2-NH2 3.13Å
38	E	93	Very high	95.2	Very high	184 Å²	184	53.2 Å²	53.2	86%	0.86	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-37.1	172	-56.8	-171.3	167	0	0	112.1	N36	N36-E38 PolarHBondContact O-N 3.24Å; N36-E38 WeakPolarHBondContact OD1-CB 3.42Å; N36-E38 PolarHBondContact OD1-N 3.04Å
39	E	91.1	Very high	95.2	Very high	104 Å²	104	62.4 Å²	62.4	49%	0.486	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-42.4	174.1	-75.5	-175.1	-151.8	0	0	111.8	N36 R601	N36-E39 HydrophobicContact CB-CB 4.34Å; N36-E39 PolarHBondContact O-N 3.26Å; E39-R601 IonicContact OE1-CZ 2.72Å; E39-R601 IonicContact OE1-NE 2.63Å; E39-R601 IonicContact OE1-NH2 3.08Å; E39-R601 PolarHBondContact OE1-NH2 2.77Å; E39-R601 IonicContact OE2-CZ 2.72Å; E39-R601 IonicContact OE2-NE 3.48Å; E39-R601 PolarHBondContact OE2-NE 3.38Å; E39-R601 IonicContact OE2-NH2 2.74Å
40	T	93.5	Very high	95.4	Very high	60 Å²	60	59 Å²	59	37%	0.368	30%	0.299	S	S	.	.	S	Bend	trans	-140.2	82.5	-173.9	54.3	0	0	0	0	110.9	V35 N36 P86	V35-T40 WeakPolarHBondContact CG1-O 3.37Å; N36-T40 CarbonylContact O-C 3.57Å; N36-T40 PolarHBondContact O-N 3.44Å; N36-T40 PolarHBondContact O-OG1 2.67Å; T40-P86 WeakPolarHBondContact O-CG 3.45Å
41	P	97.2	Very high	95.6	Very high	45 Å²	45	53.5 Å²	53.5	29%	0.292	28%	0.279	S	S	.	.			trans	-64.7	144.2	-177.3	25.5	-35.4	0	0	0	112.4	E37 H83	E37-P41 WeakPolarHBondContact O-CA 3.39Å; E37-P41 WeakPolarHBondContact O-CB 3.41Å; P41-H83 VanDerWaalsContact O-CB 3.32Å; P41-H83 WeakPolarHBondContact O-CB 3.47Å
42	L	98.4	Very high	95.8	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	29%	0.288	C	S	.	.			trans	-73.4	153.9	-179.3	-73.8	161.9	0	0	0	112.1	L28 Y32 V35 E37 R44 H83 P86 Y92	L28-L42 HydrophobicContact CB-CD1 4.02Å; L28-L42 HydrophobicContact CD1-CD1 4.09Å; L28-L42 HydrophobicContact CD2-CD1 4.21Å; L28-L42 HydrophobicContact CG-CD1 4.33Å; Y32-L42 HydrophobicContact CD2-CD1 3.8Å; Y32-L42 HydrophobicContact CD2-CD2 4.01Å; Y32-L42 HydrophobicContact CE2-CD2 4.48Å; Y32-L42 HydrophobicContact CG-CD1 4.5Å; Y32-L42 HydrophobicContact CG-CD2 4.45Å; V35-L42 HydrophobicContact CG1-CD1 4.45Å; V35-L42 HydrophobicContact CG1-CD2 4.34Å; V35-L42 HydrophobicContact CG1-CG 4.12Å; V35-L42 HydrophobicContact CG2-CD2 4.48Å; E37-L42 HydrophobicContact CG-CD1 4.03Å; E37-L42 HydrophobicContact CG-CG 4.11Å; E37-L42 PolarHBondContact OE2-N 2.89Å; L42-R44 PolarHBondContact O-N 3.44Å; L42-H83 PolarHBondContact O-ND1 3.13Å; L42-P86 HydrophobicContact CD2-CG 3.97Å; L42-Y92 HydrophobicContact CD2-CD2 4.48Å; L42-Y92 HydrophobicContact CD2-CE2 4.25Å
43	P	98.2	Very high	95.9	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.			trans	-70	114.7	167.3	-0.9	15.2	0	0	0	108.9	A81 H83 I85 Y92 P191 F206	P43-A81 HydrophobicContact CB-CB 3.65Å; P43-H83 WeakPolarHBondContact CG-O 3.45Å; P43-I85 HydrophobicContact CG-CG1 4.44Å; P43-Y92 HydrophobicContact CG-CE2 4.26Å; P43-Y92 PolarHBondContact O-OH 3.17Å; P43-P191 HydrophobicContact CB-CG 4.13Å; P43-P191 HydrophobicContact CG-CG 4.1Å; P43-F206 WeakPolarHBondContact O-CB 3.27Å
44	R	98.2	Very high	96.3	Very high	55 Å²	55	58.6 Å²	58.6	21%	0.208	30%	0.301	C	S	.	.			trans	-114.2	-18.2	-177.3	-70.6	169.2	171.7	-115.5	2.2	113.5	N25 L28 E37 L42 L62 F206 Q208	N25-R44 VanDerWaalsContact OD1-CZ 3.28Å; N25-R44 PolarHBondContact OD1-NH1 3.38Å; N25-R44 PolarHBondContact OD1-NH2 3.32Å; L28-R44 HydrophobicContact CD1-CG 4.09Å; E37-R44 VanDerWaalsContact CD-NH2 3.31Å; E37-R44 IonicContact OE1-CZ 3.16Å; E37-R44 IonicContact OE1-NE 2.84Å; E37-R44 IonicContact OE1-NH2 3.52Å; E37-R44 PolarHBondContact OE1-NH2 2.94Å; E37-R44 IonicContact OE2-CZ 3.65Å; E37-R44 IonicContact OE2-NE 2.72Å; E37-R44 PolarHBondContact OE2-NE 3.15Å; E37-R44 IonicContact OE2-NH2 3.47Å; E37-R44 PolarHBondContact OE2-NH2 3.49Å; E37-R44 VanDerWaalsContact OE2-NH2 3.13Å; L42-R44 PolarHBondContact O-N 3.44Å; R44-L62 WeakPolarHBondContact O-CD2 3.48Å; R44-F206 WeakPolarHBondContact O-CD2 3.41Å; R44-Q208 PolarHBondContact O-NE2 3.1Å
45	S	98.6	Very high	96.7	Very high	25 Å²	25	56.9 Å²	56.9	18%	0.175	29%	0.287	C	S	.	.	S	Bend	trans	-157.4	173.2	175.7	64.7	0	0	0	0	111.8	A81 T82	S45-A81 CarbonylContact O-C 3.6Å; S45-A81 VanDerWaalsContact O-CA 3.31Å; S45-A81 WeakPolarHBondContact O-CA 3.23Å; S45-T82 PolarHBondContact O-N 3.35Å
46	W	98.9	Very high	97	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.5	171.2	-62.2	116.4	0	0	0	111.6	P48 L57 N61 L62 V64 V79 A81 F94 P191 V193 A204 F206	W46-P48 WeakPolarHBondContact O-CD 3.44Å; W46-L57 HydrophobicContact CB-CD1 3.97Å; W46-L57 HydrophobicContact CB-CD2 3.8Å; W46-L57 HydrophobicContact CG-CD2 4.32Å; W46-N61 VanDerWaalsContact CB-O 3.26Å; W46-N61 WeakPolarHBondContact CB-O 3.33Å; W46-N61 PolarHBondContact N-O 2.98Å; W46-N61 WeakPolarHBondContact O-CB 3.29Å; W46-L62 PolarHBondContact NE1-O 2.91Å; W46-V64 HydrophobicContact CD2-CG2 4.11Å; W46-V64 HydrophobicContact CG-CG2 3.76Å; W46-V64 VanDerWaalsContact NE1-CG2 3.25Å; W46-V79 HydrophobicContact CB-CG2 3.8Å; W46-V79 HydrophobicContact CD2-CG1 4.17Å; W46-V79 HydrophobicContact CD2-CG2 4.48Å; W46-V79 HydrophobicContact CE3-CG1 4.09Å; W46-V79 HydrophobicContact CE3-CG2 4.16Å; W46-V79 HydrophobicContact CG-CG1 4.38Å; W46-V79 HydrophobicContact CG-CG2 4.37Å; W46-A81 HydrophobicContact CE3-CB 4.37Å; W46-A81 HydrophobicContact CZ3-CB 4.36Å; W46-F94 HydrophobicContact CH2-CE2 4.41Å; W46-P191 HydrophobicContact CH2-CB 4.32Å; W46-P191 HydrophobicContact CZ3-CB 4.31Å; W46-P191 WeakPolarHBondContact CZ3-O 3.27Å; W46-V193 HydrophobicContact CD2-CG2 4.39Å; W46-V193 HydrophobicContact CH2-CB 4.25Å; W46-V193 HydrophobicContact CH2-CG1 3.71Å; W46-V193 HydrophobicContact CH2-CG2 3.87Å; W46-V193 HydrophobicContact CZ2-CB 4.29Å; W46-V193 HydrophobicContact CZ2-CG1 3.69Å; W46-V193 HydrophobicContact CZ2-CG2 3.66Å; W46-V193 HydrophobicContact CZ3-CG2 4.27Å; W46-A204 HydrophobicContact CZ2-CB 3.61Å; W46-F206 HydrophobicContact CD2-CE2 4.32Å; W46-F206 AromaticContact CD2-CZ 3.98Å; W46-F206 HydrophobicContact CD2-CZ 3.98Å; W46-F206 AromaticContact CE2-CZ 3.77Å; W46-F206 HydrophobicContact CE3-CZ 4.08Å; W46-F206 HydrophobicContact CH2-CE1 4.34Å; W46-F206 AromaticContact CH2-CZ 3.78Å; W46-F206 HydrophobicContact CH2-CZ 3.78Å; W46-F206 HydrophobicContact CZ2-CE2 4.39Å; W46-F206 AromaticContact CZ2-CZ 3.7Å; W46-F206 HydrophobicContact CZ2-CZ 3.7Å; W46-F206 AromaticContact CZ3-CZ 3.99Å; W46-F206 HydrophobicContact CZ3-CZ 3.99Å
47	S	98.8	Very high	97.4	Very high	14 Å²	14	54.3 Å²	54.3	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.1	-179.1	-173.5	0	0	0	0	111	K49 D50 R80	S47-K49 PolarHBondContact O-N 3.48Å; S47-K49 PolarHBondContact OG-N 2.95Å; S47-D50 WeakPolarHBondContact OG-CB 3.41Å; S47-D50 PolarHBondContact OG-N 2.93Å; S47-R80 VanDerWaalsContact CB-O 3.27Å; S47-R80 WeakPolarHBondContact CB-O 3.48Å; S47-R80 PolarHBondContact N-O 3.41Å
48	P	98.3	Very high	97.6	Very high	73 Å²	73	53.4 Å²	53.4	47%	0.474	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-17.2	173.8	29.1	-34.8	0	0	0	112.5	W46 K51 L57	W46-P48 WeakPolarHBondContact O-CD 3.44Å; P48-K51 WeakPolarHBondContact O-CE 3.4Å; P48-L57 HydrophobicContact CB-CD1 4.37Å
49	K	98.1	Very high	97.8	Very high	195 Å²	195	50 Å²	50	85%	0.848	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	-42.6	179.3	-63.5	178.1	-178.3	175	0	112.4	S47 K51	S47-K49 PolarHBondContact O-N 3.48Å; S47-K49 PolarHBondContact OG-N 2.95Å; K49-K51 PolarHBondContact O-N 3.32Å
50	D	98.5	Very high	98	Very high	44 Å²	44	49 Å²	49	24%	0.235	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	67.9	-171.5	-162.4	7.1	0	0	0	112.1	S47 R80	S47-D50 WeakPolarHBondContact OG-CB 3.41Å; S47-D50 PolarHBondContact OG-N 2.93Å; D50-R80 PolarHBondContact O-N 2.98Å; D50-R80 IonicContact OD1-CZ 3.76Å; D50-R80 IonicContact OD1-NE 3.49Å; D50-R80 PolarHBondContact OD1-NE 2.97Å; D50-R80 IonicContact OD1-NH2 3.54Å; D50-R80 PolarHBondContact OD1-NH2 3.39Å; D50-R80 IonicContact OD2-CZ 3.5Å; D50-R80 IonicContact OD2-NE 2.75Å; D50-R80 PolarHBondContact OD2-NE 3.19Å; D50-R80 IonicContact OD2-NH2 2.95Å; D50-R80 PolarHBondContact OD2-NH2 2.91Å
51	K	98.7	Very high	98.2	Very high	56 Å²	56	48.7 Å²	48.7	24%	0.243	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	158.2	-176.6	64.7	178.5	-166.4	65.7	0	111.4	P48 K49 I55 L57 S78 V79	P48-K51 WeakPolarHBondContact O-CE 3.4Å; K49-K51 PolarHBondContact O-N 3.32Å; K51-I55 HydrophobicContact CB-CB 4.44Å; K51-I55 HydrophobicContact CD-CB 4.3Å; K51-I55 HydrophobicContact CD-CG2 4.05Å; K51-I55 PolarHBondContact NZ-O 3.34Å; K51-L57 HydrophobicContact CD-CD1 4.04Å; K51-L57 HydrophobicContact CD-CG 4.15Å; K51-S78 WeakPolarHBondContact CA-O 3.33Å; K51-V79 HydrophobicContact CB-CB 3.6Å; K51-V79 HydrophobicContact CB-CG2 3.65Å
52	Y	98.8	Very high	98.3	Very high	61 Å²	61	47.7 Å²	47.7	24%	0.239	24%	0.244	C	C	.	.			trans	-73.9	161.2	171.4	-163.4	-106.7	0	0	0	112.6	Y54 I55 A77 S78 M118 N119	Y52-Y54 VanDerWaalsContact C-N 3.3Å; Y52-Y54 HydrophobicContact CD1-CD2 4.09Å; Y52-Y54 HydrophobicContact CD1-CG 4.02Å; Y52-Y54 HydrophobicContact CE1-CD1 4.32Å; Y52-Y54 AromaticContact CE1-CD2 3.69Å; Y52-Y54 HydrophobicContact CE1-CD2 3.69Å; Y52-Y54 HydrophobicContact CE1-CE2 4.01Å; Y52-Y54 AromaticContact CE1-CG 3.86Å; Y52-Y54 HydrophobicContact CE1-CG 3.86Å; Y52-Y54 PolarHBondContact O-N 3.06Å; Y52-I55 PolarHBondContact O-N 3.01Å; Y52-A77 HydrophobicContact CD1-CB 3.78Å; Y52-A77 HydrophobicContact CG-CB 4.32Å; Y52-S78 PolarHBondContact N-O 3.16Å; Y52-M118 WeakPolarHBondContact CB-O 3.45Å; Y52-N119 HydrophobicContact CD2-CB 3.73Å; Y52-N119 HydrophobicContact CE2-CB 3.48Å; Y52-N119 VanDerWaalsContact CE2-CB 3.48Å; Y52-N119 VanDerWaalsContact CE2-CG 3.48Å; Y52-N119 WeakPolarHBondContact CE2-OD1 3.48Å; Y52-N119 HydrophobicContact CG-CB 4.35Å; Y52-N119 PolarHBondContact OH-OD1 2.86Å
53	S	98.4	Very high	98.3	Very high	69 Å²	69	51 Å²	51	48%	0.483	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-33	-174.9	59.2	0	0	0	0	113.2	I55 K67	S53-I55 VanDerWaalsContact C-N 3.27Å; S53-I55 PolarHBondContact O-N 3.07Å; S53-K67 WeakPolarHBondContact O-CE 3.18Å
54	Y	98.8	Very high	98.4	Very high	56 Å²	56	51 Å²	51	22%	0.22	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.7	177.8	-61.2	-17.8	0	0	0	114.8	Y52 Y66 K67 G68 D75	Y52-Y54 VanDerWaalsContact C-N 3.3Å; Y52-Y54 HydrophobicContact CD1-CD2 4.09Å; Y52-Y54 HydrophobicContact CD1-CG 4.02Å; Y52-Y54 HydrophobicContact CE1-CD1 4.32Å; Y52-Y54 AromaticContact CE1-CD2 3.69Å; Y52-Y54 HydrophobicContact CE1-CD2 3.69Å; Y52-Y54 HydrophobicContact CE1-CE2 4.01Å; Y52-Y54 AromaticContact CE1-CG 3.86Å; Y52-Y54 HydrophobicContact CE1-CG 3.86Å; Y52-Y54 PolarHBondContact O-N 3.06Å; Y54-Y66 HydrophobicContact CD2-CE2 4.45Å; Y54-K67 WeakPolarHBondContact O-CG 3.42Å; Y54-K67 PolarHBondContact O-N 2.98Å; Y54-G68 VanDerWaalsContact CG-CA 3.45Å; Y54-D75 HydrophobicContact CE2-CB 4.17Å
55	I	98.8	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.5	167.6	-65.2	-52.8	0	0	0	110.1	K51 Y52 S53 L57 V64 K67 A77 V79 L195	K51-I55 HydrophobicContact CB-CB 4.44Å; K51-I55 HydrophobicContact CD-CB 4.3Å; K51-I55 HydrophobicContact CD-CG2 4.05Å; K51-I55 PolarHBondContact NZ-O 3.34Å; Y52-I55 PolarHBondContact O-N 3.01Å; S53-I55 VanDerWaalsContact C-N 3.27Å; S53-I55 PolarHBondContact O-N 3.07Å; I55-L57 HydrophobicContact CG2-CD2 3.86Å; I55-L57 HydrophobicContact CG2-CG 4.36Å; I55-V64 HydrophobicContact CD1-CG1 3.97Å; I55-V64 HydrophobicContact CG2-CG1 3.64Å; I55-K67 WeakPolarHBondContact O-CE 3.48Å; I55-A77 HydrophobicContact CD1-CB 3.98Å; I55-A77 WeakPolarHBondContact CD1-O 3.44Å; I55-A77 HydrophobicContact CG1-CB 4Å; I55-V79 HydrophobicContact CG2-CB 4.18Å; I55-V79 HydrophobicContact CG2-CG1 4.1Å; I55-L195 HydrophobicContact CD1-CB 4.31Å; I55-L195 HydrophobicContact CD1-CD1 4.27Å; I55-L195 HydrophobicContact CD1-CG 4.35Å
56	G	98.8	Very high	98.4	Very high	5 Å²	5	50.5 Å²	50.5	5%	0.052	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	150.4	159.3	0	0	0	0	0	111	H65	G56-H65 WeakPolarHBondContact CA-NE2 3.46Å; G56-H65 PolarHBondContact N-O 3.42Å; G56-H65 PolarHBondContact O-N 3.27Å; G56-H65 PolarHBondContact O-ND1 3.03Å
57	L	98.8	Very high	98.4	Very high	32 Å²	32	56.6 Å²	56.6	17%	0.168	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.5	176.2	-60.5	-179.3	0	0	0	109.6	W46 P48 K51 I55 N61 R63 V64	W46-L57 HydrophobicContact CB-CD1 3.97Å; W46-L57 HydrophobicContact CB-CD2 3.8Å; W46-L57 HydrophobicContact CG-CD2 4.32Å; P48-L57 HydrophobicContact CB-CD1 4.37Å; K51-L57 HydrophobicContact CD-CD1 4.04Å; K51-L57 HydrophobicContact CD-CG 4.15Å; I55-L57 HydrophobicContact CG2-CD2 3.86Å; I55-L57 HydrophobicContact CG2-CG 4.36Å; L57-N61 WeakPolarHBondContact CB-OD1 3.31Å; L57-N61 HydrophobicContact CD1-CB 4.11Å; L57-R63 CarbonylContact C-O 3.59Å; L57-R63 VanDerWaalsContact CA-O 3.29Å; L57-R63 WeakPolarHBondContact CA-O 3.45Å; L57-V64 HydrophobicContact CD2-CB 4.39Å; L57-V64 HydrophobicContact CD2-CG1 4.37Å; L57-V64 HydrophobicContact CD2-CG2 3.89Å
58	S	98.4	Very high	98.3	Very high	42 Å²	42	56.5 Å²	56.5	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-175.1	170.8	59.1	0	0	0	0	110	N61 L62 R63	S58-N61 PolarHBondContact O-N 2.76Å; S58-L62 PolarHBondContact O-N 3.31Å; S58-R63 PolarHBondContact N-O 3.49Å; S58-R63 PolarHBondContact O-N 3.11Å
59	Q	96.1	Very high	98.2	Very high	112 Å²	112	58.9 Å²	58.9	52%	0.523	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	59.6	-179.7	-55.3	-59.5	-33.2	0	0	111.8	N61 L62 R63	Q59-N61 PolarHBondContact O-N 3.34Å; Q59-L62 WeakPolarHBondContact O-CB 3.28Å; Q59-L62 PolarHBondContact O-N 3.4Å; Q59-R63 HydrophobicContact CB-CB 3.84Å; Q59-R63 HydrophobicContact CG-CB 3.81Å
60	N	95.9	Very high	98.1	Very high	83 Å²	83	49.7 Å²	49.7	44%	0.444	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	36.5	-177.9	-58.3	-61.3	0	0	0	114	F16 L62	F16-N60 HydrophobicContact CD2-CB 4.1Å; F16-N60 HydrophobicContact CE2-CB 4.48Å; N60-L62 VanDerWaalsContact C-N 3.28Å; N60-L62 PolarHBondContact O-N 3.34Å
61	N	98.4	Very high	97.9	Very high	53 Å²	53	55.5 Å²	55.5	28%	0.283	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	28.1	-174.5	-56.3	-44.9	0	0	0	114.6	W46 L57 S58 Q59	W46-N61 VanDerWaalsContact CB-O 3.26Å; W46-N61 WeakPolarHBondContact CB-O 3.33Å; W46-N61 PolarHBondContact N-O 2.98Å; W46-N61 WeakPolarHBondContact O-CB 3.29Å; L57-N61 WeakPolarHBondContact CB-OD1 3.31Å; L57-N61 HydrophobicContact CD1-CB 4.11Å; S58-N61 PolarHBondContact O-N 2.76Å; Q59-N61 PolarHBondContact O-N 3.34Å
62	L	98.6	Very high	97.7	Very high	25 Å²	25	56.3 Å²	56.3	13%	0.131	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-30.1	171.4	-59.6	174.9	0	0	0	112.4	R44 W46 S58 Q59 N60 A204 F206 Q208	R44-L62 WeakPolarHBondContact O-CD2 3.48Å; W46-L62 PolarHBondContact NE1-O 2.91Å; S58-L62 PolarHBondContact O-N 3.31Å; Q59-L62 WeakPolarHBondContact O-CB 3.28Å; Q59-L62 PolarHBondContact O-N 3.4Å; N60-L62 VanDerWaalsContact C-N 3.28Å; N60-L62 PolarHBondContact O-N 3.34Å; L62-A204 PolarHBondContact O-N 2.93Å; L62-F206 HydrophobicContact CD2-CD2 3.92Å; L62-F206 HydrophobicContact CD2-CE2 4.26Å; L62-Q208 HydrophobicContact CD1-CG 3.95Å
63	R	98.9	Very high	97.3	Very high	72 Å²	72	58.1 Å²	58.1	27%	0.272	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.1	175.3	-179.1	162.5	-71	178.3	2.3	111.1	L57 S58 Q59 I201 D203	L57-R63 CarbonylContact C-O 3.59Å; L57-R63 VanDerWaalsContact CA-O 3.29Å; L57-R63 WeakPolarHBondContact CA-O 3.45Å; S58-R63 PolarHBondContact N-O 3.49Å; S58-R63 PolarHBondContact O-N 3.11Å; Q59-R63 HydrophobicContact CB-CB 3.84Å; Q59-R63 HydrophobicContact CG-CB 3.81Å; R63-I201 HydrophobicContact CG-CG2 3.8Å; R63-D203 WeakPolarHBondContact CA-OD1 3.42Å; R63-D203 WeakPolarHBondContact CB-OD1 3.35Å; R63-D203 WeakPolarHBondContact CG-OD1 3.49Å; R63-D203 IonicContact CZ-OD1 2.69Å; R63-D203 IonicContact CZ-OD2 3.22Å; R63-D203 IonicContact NE-OD1 3.79Å; R63-D203 PolarHBondContact NE-OD1 3.07Å; R63-D203 IonicContact NE-OD2 3.35Å; R63-D203 PolarHBondContact NE-OD2 3.45Å; R63-D203 IonicContact NH2-OD1 3.6Å; R63-D203 IonicContact NH2-OD2 2.85Å; R63-D203 PolarHBondContact NH2-OD2 2.9Å
64	V	98.9	Very high	97.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.8	174.3	-170.6	0	0	0	0	108.6	W46 I55 L57 V79 V193 L195 I201 V202	W46-V64 HydrophobicContact CD2-CG2 4.11Å; W46-V64 HydrophobicContact CG-CG2 3.76Å; W46-V64 VanDerWaalsContact NE1-CG2 3.25Å; I55-V64 HydrophobicContact CD1-CG1 3.97Å; I55-V64 HydrophobicContact CG2-CG1 3.64Å; L57-V64 HydrophobicContact CD2-CB 4.39Å; L57-V64 HydrophobicContact CD2-CG1 4.37Å; L57-V64 HydrophobicContact CD2-CG2 3.89Å; V64-V79 HydrophobicContact CG1-CG1 3.87Å; V64-V79 HydrophobicContact CG2-CG1 4.01Å; V64-V193 HydrophobicContact CB-CG2 4.3Å; V64-V193 HydrophobicContact CG1-CG2 4.2Å; V64-V193 HydrophobicContact CG2-CG2 3.8Å; V64-L195 HydrophobicContact CB-CD1 4.44Å; V64-L195 HydrophobicContact CG1-CD1 3.81Å; V64-L195 HydrophobicContact CG1-CG 4.49Å; V64-I201 WeakPolarHBondContact O-CA 3.37Å; V64-V202 HydrophobicContact CB-CG2 3.88Å; V64-V202 HydrophobicContact CG2-CG2 4.34Å; V64-V202 PolarHBondContact N-O 3.39Å; V64-V202 PolarHBondContact O-N 3.09Å
65	H	98.8	Very high	97.1	Very high	56 Å²	56	60.1 Å²	60.1	26%	0.259	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.6	175.5	58.4	-89.5	0	0	0	111.7	G56 E200 I201	G56-H65 WeakPolarHBondContact CA-NE2 3.46Å; G56-H65 PolarHBondContact N-O 3.42Å; G56-H65 PolarHBondContact O-N 3.27Å; G56-H65 PolarHBondContact O-ND1 3.03Å; H65-E200 WeakPolarHBondContact CA-O 3.3Å; H65-I201 HydrophobicContact CB-CG1 4.05Å; H65-I201 HydrophobicContact CB-CG2 4.47Å
66	Y	98.9	Very high	97	Very high	13 Å²	13	60.1 Å²	60.1	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.4	177.5	-172.6	-94.7	0	0	0	111.5	Y54 G68 G70 D75 A77 L195 Q196 T197 E200	Y54-Y66 HydrophobicContact CD2-CE2 4.45Å; Y66-G68 VanDerWaalsContact CE1-CA 3.42Å; Y66-G68 VanDerWaalsContact CE1-N 3.3Å; Y66-G68 WeakPolarHBondContact CE1-O 3.42Å; Y66-G68 WeakPolarHBondContact OH-CA 3.45Å; Y66-G70 WeakPolarHBondContact OH-CA 3.5Å; Y66-G70 PolarHBondContact OH-N 3.25Å; Y66-D75 VanDerWaalsContact CE2-O 3.3Å; Y66-D75 WeakPolarHBondContact CE2-O 3.47Å; Y66-D75 WeakPolarHBondContact OH-CB 3.33Å; Y66-D75 PolarHBondContact OH-O 3.1Å; Y66-A77 HydrophobicContact CD2-CB 4.33Å; Y66-A77 HydrophobicContact CE2-CB 4Å; Y66-L195 HydrophobicContact CD2-CB 3.9Å; Y66-L195 HydrophobicContact CG-CB 4.28Å; Y66-Q196 WeakPolarHBondContact CE1-O 3.48Å; Y66-Q196 PolarHBondContact OH-O 2.8Å; Y66-T197 VanDerWaalsContact CD1-O 3.28Å; Y66-T197 WeakPolarHBondContact CD1-O 3.43Å; Y66-E200 PolarHBondContact N-O 2.85Å
67	K	98.3	Very high	97	Very high	127 Å²	127	59.9 Å²	59.9	55%	0.552	29%	0.286	S	S	*	.			trans	-129.8	18.6	179.7	62.4	168.7	-173.7	177.7	0	113.8	S53 Y54 I55	S53-K67 WeakPolarHBondContact O-CE 3.18Å; Y54-K67 WeakPolarHBondContact O-CG 3.42Å; Y54-K67 PolarHBondContact O-N 2.98Å; I55-K67 WeakPolarHBondContact O-CE 3.48Å
68	G	97.6	Very high	97.1	Very high	13 Å²	13	58.4 Å²	58.4	13%	0.134	28%	0.279	C	S	.	.	S	Bend	trans	-85.7	-171.7	172.4	0	0	0	0	0	112.9	Y54 Y66	Y54-G68 VanDerWaalsContact CG-CA 3.45Å; Y66-G68 VanDerWaalsContact CE1-CA 3.42Å; Y66-G68 VanDerWaalsContact CE1-N 3.3Å; Y66-G68 WeakPolarHBondContact CE1-O 3.42Å; Y66-G68 WeakPolarHBondContact OH-CA 3.45Å
69	H	96.7	Very high	97.1	Very high	123 Å²	123	56.4 Å²	56.4	57%	0.569	27%	0.265	S	S	*	.			trans	-83.5	-28.6	179.1	-62.1	-55.4	0	0	0	114	K71	H69-K71 HydrophobicContact CB-CG 4.23Å; H69-K71 PolarHBondContact O-N 3.03Å
70	G	95.8	Very high	97.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	24%	0.241	C	C	.	.			trans	51	49.6	179.8	0	0	0	0	0	114.7	Y66 R103 Q196	Y66-G70 WeakPolarHBondContact OH-CA 3.5Å; Y66-G70 PolarHBondContact OH-N 3.25Å; G70-R103 PolarHBondContact O-NH1 3.32Å; G70-R103 VanDerWaalsContact O-NH1 3.11Å; G70-R103 PolarHBondContact O-NH2 2.95Å; G70-Q196 WeakPolarHBondContact CA-O 3.36Å
71	K	94.4	Very high	97.4	Very high	166 Å²	166	47.4 Å²	47.4	72%	0.722	22%	0.22	S	C	*	.	S	Bend	trans	-85.8	-33	176.7	-64.6	179.7	178.7	177.4	0	112.4	H69 D75	H69-K71 HydrophobicContact CB-CG 4.23Å; H69-K71 PolarHBondContact O-N 3.03Å; K71-D75 WeakPolarHBondContact CA-OD2 3.26Å; K71-D75 WeakPolarHBondContact CB-OD2 3.24Å; K71-D75 PolarHBondContact N-OD2 3.03Å
72	N	94.3	Very high	97.4	Very high	74 Å²	74	47 Å²	47	40%	0.396	22%	0.219	S	C	.	.	S	Bend	trans	-160.3	179.8	178.6	62.1	78.9	0	0	0	111	K74 D75	N72-K74 PolarHBondContact O-N 3.46Å; N72-K74 WeakPolarHBondContact OD1-CB 3.3Å; N72-K74 WeakPolarHBondContact OD1-CG 3.15Å; N72-K74 PolarHBondContact OD1-N 3.25Å; N72-D75 PolarHBondContact N-OD2 2.88Å; N72-D75 WeakPolarHBondContact O-CB 3.27Å; N72-D75 PolarHBondContact O-N 2.91Å
73	H	89.9	Confident	97.4	Very high	99 Å²	99	49 Å²	49	46%	0.458	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-58.3	-14.3	-177.6	74.3	78.6	0	0	0	115.8	D75 A76 W124	H73-D75 VanDerWaalsContact C-N 3.28Å; H73-A76 WeakPolarHBondContact O-CB 3.2Å; H73-W124 HydrophobicContact CB-CH2 3.95Å; H73-W124 HydrophobicContact CB-CZ3 4.27Å
74	K	94.8	Very high	97.3	Very high	144 Å²	144	47.3 Å²	47.3	63%	0.626	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-78.9	-13.4	174	-58.2	179.2	-179.9	179.4	0	112.9	N72 A76 N119	N72-K74 PolarHBondContact O-N 3.46Å; N72-K74 WeakPolarHBondContact OD1-CB 3.3Å; N72-K74 WeakPolarHBondContact OD1-CG 3.15Å; N72-K74 PolarHBondContact OD1-N 3.25Å; K74-A76 VanDerWaalsContact C-N 3.32Å; K74-N119 PolarHBondContact O-ND2 3.31Å
75	D	97.4	Very high	97.3	Very high	22 Å²	22	47.5 Å²	47.5	12%	0.118	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-91.7	6.1	175.1	-57.7	-43.9	0	0	0	112.4	Y54 Y66 K71 N72 H73	Y54-D75 HydrophobicContact CE2-CB 4.17Å; Y66-D75 VanDerWaalsContact CE2-O 3.3Å; Y66-D75 WeakPolarHBondContact CE2-O 3.47Å; Y66-D75 WeakPolarHBondContact OH-CB 3.33Å; Y66-D75 PolarHBondContact OH-O 3.1Å; K71-D75 WeakPolarHBondContact CA-OD2 3.26Å; K71-D75 WeakPolarHBondContact CB-OD2 3.24Å; K71-D75 PolarHBondContact N-OD2 3.03Å; N72-D75 PolarHBondContact N-OD2 2.88Å; N72-D75 WeakPolarHBondContact O-CB 3.27Å; N72-D75 PolarHBondContact O-N 2.91Å; H73-D75 VanDerWaalsContact C-N 3.28Å
76	A	98.4	Very high	97.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.			trans	-60.9	140.4	173.6	0	0	0	0	0	111.8	H73 K74 N119 R120 L121 W124 Q196	H73-A76 WeakPolarHBondContact O-CB 3.2Å; K74-A76 VanDerWaalsContact C-N 3.32Å; A76-N119 CarbonylContact O-C 3.06Å; A76-N119 VanDerWaalsContact O-CA 3.26Å; A76-N119 WeakPolarHBondContact O-CA 3.44Å; A76-N119 PolarHBondContact O-ND2 3.31Å; A76-R120 PolarHBondContact O-N 3.06Å; A76-L121 HydrophobicContact CB-CD2 4.24Å; A76-L121 HydrophobicContact CB-CG 4.06Å; A76-W124 HydrophobicContact CB-CH2 4.35Å; A76-W124 HydrophobicContact CB-CZ3 3.81Å; A76-Q196 HydrophobicContact CB-CB 4.4Å; A76-Q196 HydrophobicContact CB-CG 4.39Å
77	A	98.8	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	129	-172.1	0	0	0	0	0	111.4	Y52 I55 Y66 M118 G194 L195	Y52-A77 HydrophobicContact CD1-CB 3.78Å; Y52-A77 HydrophobicContact CG-CB 4.32Å; I55-A77 HydrophobicContact CD1-CB 3.98Å; I55-A77 WeakPolarHBondContact CD1-O 3.44Å; I55-A77 HydrophobicContact CG1-CB 4Å; Y66-A77 HydrophobicContact CD2-CB 4.33Å; Y66-A77 HydrophobicContact CE2-CB 4Å; A77-M118 CarbonylContact C-O 3.57Å; A77-M118 WeakPolarHBondContact CA-O 3.46Å; A77-G194 CarbonylContact O-C 3.53Å; A77-G194 VanDerWaalsContact O-CA 3.23Å; A77-G194 WeakPolarHBondContact O-CA 3.48Å; A77-L195 PolarHBondContact N-O 2.86Å; A77-L195 PolarHBondContact O-N 3.45Å; A77-L195 VanDerWaalsContact O-O 3.11Å
78	S	98.9	Very high	96.5	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	164	-179.8	-74.5	0	0	0	0	113.5	K51 Y52 M118 R120 V193 G194	K51-S78 WeakPolarHBondContact CA-O 3.33Å; Y52-S78 PolarHBondContact N-O 3.16Å; S78-M118 PolarHBondContact N-O 3.31Å; S78-R120 WeakPolarHBondContact CB-O 3.45Å; S78-R120 PolarHBondContact OG-O 3.16Å; S78-V193 CarbonylContact C-O 3.51Å; S78-V193 VanDerWaalsContact CA-O 3.22Å; S78-V193 WeakPolarHBondContact CA-O 3.32Å; S78-V193 WeakPolarHBondContact CB-O 3.26Å; S78-G194 VanDerWaalsContact OG-CA 3.26Å; S78-G194 WeakPolarHBondContact OG-CA 3.35Å
79	V	98.9	Very high	96.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.9	170.1	52.3	0	0	0	0	110	W46 K51 I55 V64 T192 V193	W46-V79 HydrophobicContact CB-CG2 3.8Å; W46-V79 HydrophobicContact CD2-CG1 4.17Å; W46-V79 HydrophobicContact CD2-CG2 4.48Å; W46-V79 HydrophobicContact CE3-CG1 4.09Å; W46-V79 HydrophobicContact CE3-CG2 4.16Å; W46-V79 HydrophobicContact CG-CG1 4.38Å; W46-V79 HydrophobicContact CG-CG2 4.37Å; K51-V79 HydrophobicContact CB-CB 3.6Å; K51-V79 HydrophobicContact CB-CG2 3.65Å; I55-V79 HydrophobicContact CG2-CB 4.18Å; I55-V79 HydrophobicContact CG2-CG1 4.1Å; V64-V79 HydrophobicContact CG1-CG1 3.87Å; V64-V79 HydrophobicContact CG2-CG1 4.01Å; V79-T192 WeakPolarHBondContact O-CA 3.45Å; V79-T192 WeakPolarHBondContact O-CG2 3.42Å; V79-V193 HydrophobicContact CG1-CG2 3.69Å; V79-V193 PolarHBondContact N-O 3.18Å; V79-V193 PolarHBondContact O-N 2.85Å
80	R	98.9	Very high	96.4	Very high	6 Å²	6	33.4 Å²	33.4	2%	0.023	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	155.5	168.1	-83.5	-176.8	-75.1	-90.9	-7.5	110.9	S47 D50 S112 A113 V116 M118 Y190 P191 T192	S47-R80 VanDerWaalsContact CB-O 3.27Å; S47-R80 WeakPolarHBondContact CB-O 3.48Å; S47-R80 PolarHBondContact N-O 3.41Å; D50-R80 PolarHBondContact O-N 2.98Å; D50-R80 IonicContact OD1-CZ 3.76Å; D50-R80 IonicContact OD1-NE 3.49Å; D50-R80 PolarHBondContact OD1-NE 2.97Å; D50-R80 IonicContact OD1-NH2 3.54Å; D50-R80 PolarHBondContact OD1-NH2 3.39Å; D50-R80 IonicContact OD2-CZ 3.5Å; D50-R80 IonicContact OD2-NE 2.75Å; D50-R80 PolarHBondContact OD2-NE 3.19Å; D50-R80 IonicContact OD2-NH2 2.95Å; D50-R80 PolarHBondContact OD2-NH2 2.91Å; R80-S112 WeakPolarHBondContact CD-OG 3.48Å; R80-S112 VanDerWaalsContact CG-OG 3.28Å; R80-S112 WeakPolarHBondContact CG-OG 3.37Å; R80-S112 PolarHBondContact NH1-OG 2.82Å; R80-A113 PolarHBondContact NH1-O 3.41Å; R80-V116 PolarHBondContact NH1-O 2.88Å; R80-V116 PolarHBondContact NH2-O 3.2Å; R80-M118 HydrophobicContact CG-SD 4.1Å; R80-Y190 HydrophobicContact CB-CD1 4.18Å; R80-Y190 HydrophobicContact CB-CG 4.3Å; R80-Y190 HydrophobicContact CG-CG 4.2Å; R80-P191 WeakPolarHBondContact CA-O 3.29Å; R80-T192 HydrophobicContact CG-CG2 4.33Å
81	A	98.9	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	170.2	167.2	0	0	0	0	0	112	P43 S45 W46 H83 Y190 P191 F206	P43-A81 HydrophobicContact CB-CB 3.65Å; S45-A81 CarbonylContact O-C 3.6Å; S45-A81 VanDerWaalsContact O-CA 3.31Å; S45-A81 WeakPolarHBondContact O-CA 3.23Å; W46-A81 HydrophobicContact CE3-CB 4.37Å; W46-A81 HydrophobicContact CZ3-CB 4.36Å; A81-H83 VanDerWaalsContact C-N 3.28Å; A81-H83 PolarHBondContact O-N 3.14Å; A81-Y190 WeakPolarHBondContact O-CD1 3.34Å; A81-P191 HydrophobicContact CB-CB 4.06Å; A81-P191 HydrophobicContact CB-CG 4.09Å; A81-P191 PolarHBondContact N-O 3.35Å; A81-F206 HydrophobicContact CB-CE1 4.3Å; A81-F206 HydrophobicContact CB-CZ 4.17Å
82	T	98.5	Very high	96.7	Very high	45 Å²	45	25.5 Å²	25.5	28%	0.276	13%	0.131	S	C	.	.	S	Bend	trans	-61.8	-32.7	179.4	50.9	0	0	0	0	114	S45	S45-T82 PolarHBondContact O-N 3.35Å
83	H	98.7	Very high	96.9	Very high	67 Å²	67	22 Å²	22	31%	0.31	11%	0.112	S	C	.	.	S	Bend	trans	-136.1	155.4	-173.3	-60.1	127.8	0	0	0	111.3	P41 L42 P43 A81 Y190	P41-H83 VanDerWaalsContact O-CB 3.32Å; P41-H83 WeakPolarHBondContact O-CB 3.47Å; L42-H83 PolarHBondContact O-ND1 3.13Å; P43-H83 WeakPolarHBondContact CG-O 3.45Å; A81-H83 VanDerWaalsContact C-N 3.28Å; A81-H83 PolarHBondContact O-N 3.14Å; H83-Y190 VanDerWaalsContact O-CD1 3.26Å; H83-Y190 WeakPolarHBondContact O-CD1 3.43Å
84	P	98.3	Very high	97.3	Very high	37 Å²	37	17.2 Å²	17.2	24%	0.24	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-71.6	162.1	168.7	31.9	-32.2	0	0	0	109.9	P86 N188 L189 Y190	P84-P86 VanDerWaalsContact O-CD 3.26Å; P84-P86 WeakPolarHBondContact O-CD 3.33Å; P84-N188 HydrophobicContact CB-CB 4.2Å; P84-L189 WeakPolarHBondContact CA-O 3.47Å; P84-Y190 HydrophobicContact CB-CD2 3.96Å; P84-Y190 HydrophobicContact CB-CE1 4.34Å; P84-Y190 HydrophobicContact CB-CE2 3.67Å; P84-Y190 HydrophobicContact CB-CG 4.37Å; P84-Y190 HydrophobicContact CG-CE2 4.26Å; P84-Y190 VanDerWaalsContact N-CE1 3.31Å
85	I	98.3	Very high	97.5	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.021	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-69.5	120.9	173.6	-60.4	167.2	0	0	0	109.3	P43 Y92 L111 V162 L164 L189 P191	P43-I85 HydrophobicContact CG-CG1 4.44Å; I85-Y92 HydrophobicContact CB-CG 4.41Å; I85-Y92 HydrophobicContact CD1-CD1 3.46Å; I85-Y92 VanDerWaalsContact CD1-CD1 3.46Å; I85-Y92 HydrophobicContact CD1-CE1 3.98Å; I85-Y92 HydrophobicContact CD1-CG 4.1Å; I85-Y92 HydrophobicContact CG1-CD1 3.62Å; I85-Y92 HydrophobicContact CG1-CE1 3.88Å; I85-Y92 HydrophobicContact CG1-CG 3.99Å; I85-Y92 VanDerWaalsContact CG2-CB 3.42Å; I85-Y92 HydrophobicContact CG2-CD1 4.07Å; I85-Y92 HydrophobicContact CG2-CD2 4.01Å; I85-Y92 HydrophobicContact CG2-CG 3.56Å; I85-L111 HydrophobicContact CD1-CD2 3.97Å; I85-V162 HydrophobicContact CD1-CB 4.27Å; I85-V162 HydrophobicContact CD1-CG2 3.82Å; I85-L164 HydrophobicContact CG2-CD1 3.67Å; I85-L189 WeakPolarHBondContact CG1-O 3.31Å; I85-L189 PolarHBondContact N-O 3.45Å; I85-P191 HydrophobicContact CD1-CG 4.44Å; I85-P191 HydrophobicContact CG1-CG 4.27Å
86	P	95.7	Very high	97.6	Very high	8 Å²	8	9.7 Å²	9.7	5%	0.052	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-65.6	134.4	173.8	-22.3	34.8	0	0	0	112	V35 T40 L42 P84 A88 C89 L164	V35-P86 HydrophobicContact CG1-CB 4.12Å; V35-P86 HydrophobicContact CG1-CG 4.04Å; V35-P86 HydrophobicContact CG2-CB 4.25Å; T40-P86 WeakPolarHBondContact O-CG 3.45Å; L42-P86 HydrophobicContact CD2-CG 3.97Å; P84-P86 VanDerWaalsContact O-CD 3.26Å; P84-P86 WeakPolarHBondContact O-CD 3.33Å; P86-A88 PolarHBondContact O-N 3.44Å; P86-A88 VanDerWaalsContact O-N 3.16Å; P86-C89 WeakPolarHBondContact O-CB 3.35Å; P86-C89 PolarHBondContact O-N 3.15Å; P86-C89 PolarHBondContact O-SG 3.41Å; P86-L164 VanDerWaalsContact O-CD1 3.28Å; P86-L164 WeakPolarHBondContact O-CD1 3.42Å
87	A	91.6	Very high	97.6	Very high	17 Å²	17	13.9 Å²	13.9	14%	0.14	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-56.7	-32	176.3	0	0	0	0	0	113.1	C89 G90 R603	A87-C89 PolarHBondContact O-N 2.89Å; A87-C89 VanDerWaalsContact O-N 3.14Å; A87-G90 PolarHBondContact O-N 2.92Å; A87-G90 VanDerWaalsContact O-N 3.1Å; A87-R603 HydrophobicContact CB-CB 3.56Å; A87-R603 HydrophobicContact CB-CG 3.89Å
88	A	92.4	Very high	97.6	Very high	8 Å²	8	13.9 Å²	13.9	7%	0.066	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-66	-7	177.5	0	0	0	0	0	114.8	V35 P86 G90 A600 S608	V35-A88 HydrophobicContact CG2-CB 3.97Å; P86-A88 PolarHBondContact O-N 3.44Å; P86-A88 VanDerWaalsContact O-N 3.16Å; A88-G90 PolarHBondContact O-N 3.02Å; A88-A600 HydrophobicContact CB-CB 4.17Å; A88-S608 WeakPolarHBondContact O-CB 3.38Å
89	C	95.9	Very high	97.6	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.02	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-64.1	-33.2	168	-57.4	0	0	0	0	111.4	Y32 V35 P86 A87 I91 L164	Y32-C89 HydrophobicContact CD1-CB 3.78Å; Y32-C89 HydrophobicContact CE1-CB 4.23Å; Y32-C89 HydrophobicContact CG-CB 4.43Å; V35-C89 HydrophobicContact CG2-CB 4.47Å; P86-C89 WeakPolarHBondContact O-CB 3.35Å; P86-C89 PolarHBondContact O-N 3.15Å; P86-C89 PolarHBondContact O-SG 3.41Å; A87-C89 PolarHBondContact O-N 2.89Å; A87-C89 VanDerWaalsContact O-N 3.14Å; C89-I91 WeakPolarHBondContact CB-O 3.36Å; C89-I91 PolarHBondContact O-N 3.46Å; C89-L164 HydrophobicContact CB-CD1 4.07Å
90	G	95.4	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	71.1	-60.2	-169.6	0	0	0	0	0	113.1	A87 A88 L164 G605 S608	A87-G90 PolarHBondContact O-N 2.92Å; A87-G90 VanDerWaalsContact O-N 3.1Å; A88-G90 PolarHBondContact O-N 3.02Å; G90-L164 WeakPolarHBondContact O-CA 3.28Å; G90-L164 WeakPolarHBondContact O-CB 3.25Å; G90-L164 PolarHBondContact O-N 3.37Å; G90-G605 WeakPolarHBondContact CA-O 3.46Å; G90-S608 WeakPolarHBondContact CA-OG 3.42Å
91	I	98	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135	167.2	-65.5	166.1	0	0	0	106.4	Y32 C89 C161 V162 N163 I215 Y218 M219 W222 F609	Y32-I91 WeakPolarHBondContact CE1-O 3.46Å; C89-I91 WeakPolarHBondContact CB-O 3.36Å; C89-I91 PolarHBondContact O-N 3.46Å; I91-C161 VanDerWaalsContact CG2-SG 3.55Å; I91-V162 CarbonylContact C-O 3.48Å; I91-V162 WeakPolarHBondContact CA-O 3.5Å; I91-N163 HydrophobicContact CG1-CB 4.42Å; I91-I215 HydrophobicContact CG2-CD1 4.1Å; I91-Y218 HydrophobicContact CD1-CD1 4.16Å; I91-Y218 HydrophobicContact CD1-CE1 3.82Å; I91-Y218 HydrophobicContact CG2-CD1 4.29Å; I91-Y218 HydrophobicContact CG2-CE1 4.14Å; I91-M219 HydrophobicContact CB-CE 4.06Å; I91-M219 HydrophobicContact CB-CG 4.24Å; I91-M219 HydrophobicContact CD1-CG 4.27Å; I91-M219 HydrophobicContact CG2-CE 4.01Å; I91-M219 HydrophobicContact CG2-CG 4.28Å; I91-M219 WeakPolarHBondContact O-CE 3.46Å; I91-W222 HydrophobicContact CD1-CB 3.7Å; I91-W222 HydrophobicContact CD1-CD2 4.39Å; I91-W222 HydrophobicContact CD1-CG 3.62Å; I91-F609 HydrophobicContact CB-CZ 4.48Å; I91-F609 HydrophobicContact CD1-CE2 4.12Å; I91-F609 HydrophobicContact CD1-CZ 3.88Å; I91-F609 HydrophobicContact CG1-CE2 4.18Å; I91-F609 HydrophobicContact CG1-CZ 4.18Å
92	Y	98.7	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.9	174.7	179.6	-93.4	0	0	0	110.4	Y32 L42 P43 I85 F94 C161 V162 P191 F206	Y32-Y92 HydrophobicContact CE1-CD2 4.01Å; Y32-Y92 AromaticContact CE2-CD2 4Å; Y32-Y92 HydrophobicContact CE2-CD2 4Å; Y32-Y92 HydrophobicContact CE2-CE2 4.02Å; Y32-Y92 AromaticContact CZ-CD2 3.57Å; Y32-Y92 AromaticContact CZ-CE2 3.97Å; Y32-Y92 WeakPolarHBondContact OH-CD2 3.15Å; L42-Y92 HydrophobicContact CD2-CD2 4.48Å; L42-Y92 HydrophobicContact CD2-CE2 4.25Å; P43-Y92 HydrophobicContact CG-CE2 4.26Å; P43-Y92 PolarHBondContact O-OH 3.17Å; I85-Y92 HydrophobicContact CB-CG 4.41Å; I85-Y92 HydrophobicContact CD1-CD1 3.46Å; I85-Y92 VanDerWaalsContact CD1-CD1 3.46Å; I85-Y92 HydrophobicContact CD1-CE1 3.98Å; I85-Y92 HydrophobicContact CD1-CG 4.1Å; I85-Y92 HydrophobicContact CG1-CD1 3.62Å; I85-Y92 HydrophobicContact CG1-CE1 3.88Å; I85-Y92 HydrophobicContact CG1-CG 3.99Å; I85-Y92 VanDerWaalsContact CG2-CB 3.42Å; I85-Y92 HydrophobicContact CG2-CD1 4.07Å; I85-Y92 HydrophobicContact CG2-CD2 4.01Å; I85-Y92 HydrophobicContact CG2-CG 3.56Å; Y92-F94 HydrophobicContact CD1-CD1 4.37Å; Y92-F94 HydrophobicContact CE1-CB 4.18Å; Y92-F94 AromaticContact CE1-CD1 3.8Å; Y92-F94 HydrophobicContact CE1-CD1 3.8Å; Y92-F94 HydrophobicContact CE1-CG 4.39Å; Y92-C161 WeakPolarHBondContact O-CA 3.42Å; Y92-V162 PolarHBondContact N-O 3Å; Y92-V162 PolarHBondContact O-N 3.24Å; Y92-P191 HydrophobicContact CE1-CG 3.93Å; Y92-F206 WeakPolarHBondContact OH-CD1 3.44Å
93	Y	98.9	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.1	-178.4	-170.4	-114.2	0	0	0	112.1	Y32 E95 G159 C160 C161 T172 F211 F213 I215	Y32-Y93 PolarHBondContact OH-N 3.48Å; Y32-Y93 PolarHBondContact OH-O 3.3Å; Y32-Y93 VanDerWaalsContact OH-O 3.14Å; Y93-E95 HydrophobicContact CE1-CG 3.54Å; Y93-E95 WeakPolarHBondContact CE1-OE1 3.34Å; Y93-E95 VanDerWaalsContact OH-CG 3.28Å; Y93-E95 WeakPolarHBondContact OH-CG 3.22Å; Y93-E95 PolarHBondContact OH-OE1 2.78Å; Y93-G159 WeakPolarHBondContact OH-CA 3.47Å; Y93-C160 WeakPolarHBondContact CD2-O 3.34Å; Y93-C161 HydrophobicContact CD2-CB 3.63Å; Y93-C161 HydrophobicContact CE2-CB 4.12Å; Y93-T172 HydrophobicContact CE2-CG2 4.04Å; Y93-T172 PolarHBondContact OH-OG1 3.03Å; Y93-F211 HydrophobicContact CD1-CB 4.32Å; Y93-F211 AromaticContact CD1-CD1 3.73Å; Y93-F211 HydrophobicContact CD1-CD1 3.73Å; Y93-F211 AromaticContact CD1-CD2 3.79Å; Y93-F211 HydrophobicContact CD1-CD2 3.79Å; Y93-F211 AromaticContact CD1-CE1 3.87Å; Y93-F211 HydrophobicContact CD1-CE1 3.87Å; Y93-F211 AromaticContact CD1-CE2 3.93Å; Y93-F211 HydrophobicContact CD1-CE2 3.93Å; Y93-F211 AromaticContact CD1-CG 3.68Å; Y93-F211 HydrophobicContact CD1-CG 3.68Å; Y93-F211 AromaticContact CD1-CZ 3.96Å; Y93-F211 HydrophobicContact CD1-CZ 3.96Å; Y93-F211 HydrophobicContact CE1-CB 3.87Å; Y93-F211 AromaticContact CE1-CD1 3.65Å; Y93-F211 HydrophobicContact CE1-CD1 3.65Å; Y93-F211 HydrophobicContact CE1-CD2 4.23Å; Y93-F211 HydrophobicContact CE1-CE1 4.19Å; Y93-F211 AromaticContact CE1-CG 3.66Å; Y93-F211 HydrophobicContact CE1-CG 3.66Å; Y93-F213 HydrophobicContact CE1-CB 4Å; Y93-F213 HydrophobicContact CE1-CD1 4.27Å; Y93-F213 HydrophobicContact CE2-CD1 4.07Å; Y93-F213 AromaticContact CZ-CD1 3.88Å; Y93-F213 WeakPolarHBondContact OH-CB 3.42Å; Y93-I215 HydrophobicContact CD1-CB 3.96Å; Y93-I215 HydrophobicContact CD1-CD1 4.43Å; Y93-I215 HydrophobicContact CD1-CG1 4.12Å; Y93-I215 HydrophobicContact CD1-CG2 4.28Å; Y93-I215 HydrophobicContact CD2-CD1 4.17Å; Y93-I215 HydrophobicContact CG-CB 4.25Å; Y93-I215 HydrophobicContact CG-CD1 3.86Å; Y93-I215 HydrophobicContact CG-CG1 3.93Å
94	F	98.9	Very high	97.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.4	168.2	73.9	-79.3	0	0	0	109.9	W46 Y92 V96 I109 L111 G159 C160 P191 N205 F206	W46-F94 HydrophobicContact CH2-CE2 4.41Å; Y92-F94 HydrophobicContact CD1-CD1 4.37Å; Y92-F94 HydrophobicContact CE1-CB 4.18Å; Y92-F94 AromaticContact CE1-CD1 3.8Å; Y92-F94 HydrophobicContact CE1-CD1 3.8Å; Y92-F94 HydrophobicContact CE1-CG 4.39Å; F94-V96 HydrophobicContact CD2-CG2 3.97Å; F94-V96 HydrophobicContact CE2-CG2 3.73Å; F94-I109 HydrophobicContact CE2-CG2 4.37Å; F94-L111 HydrophobicContact CE1-CD2 4.39Å; F94-G159 WeakPolarHBondContact O-CA 3.23Å; F94-C160 HydrophobicContact CD1-CB 3.99Å; F94-C160 HydrophobicContact CE1-CB 3.42Å; F94-C160 VanDerWaalsContact CE1-CB 3.42Å; F94-C160 HydrophobicContact CE2-CB 4.4Å; F94-C160 HydrophobicContact CZ-CB 3.66Å; F94-C160 PolarHBondContact N-O 3.4Å; F94-C160 PolarHBondContact O-N 2.81Å; F94-P191 HydrophobicContact CD1-CB 4.08Å; F94-P191 HydrophobicContact CD1-CG 4.2Å; F94-P191 HydrophobicContact CD2-CB 4.36Å; F94-P191 HydrophobicContact CE1-CB 3.72Å; F94-P191 HydrophobicContact CE1-CG 4.15Å; F94-P191 HydrophobicContact CE2-CB 4.05Å; F94-P191 HydrophobicContact CG-CB 4.38Å; F94-P191 HydrophobicContact CZ-CB 3.71Å; F94-N205 WeakPolarHBondContact CA-O 3.19Å; F94-F206 HydrophobicContact CB-CD1 3.84Å; F94-F206 HydrophobicContact CB-CE1 4.27Å; F94-F206 HydrophobicContact CD2-CE1 4.13Å; F94-F206 HydrophobicContact CG-CD1 4.34Å; F94-F206 HydrophobicContact CG-CE1 4.27Å
95	E	98.9	Very high	97.5	Very high	7 Å²	7	24 Å²	24	3%	0.033	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.8	177.6	-78.3	178.6	171	0	0	111.7	Y93 V157 A204 N205 F211 V212 F213	Y93-E95 HydrophobicContact CE1-CG 3.54Å; Y93-E95 WeakPolarHBondContact CE1-OE1 3.34Å; Y93-E95 VanDerWaalsContact OH-CG 3.28Å; Y93-E95 WeakPolarHBondContact OH-CG 3.22Å; Y93-E95 PolarHBondContact OH-OE1 2.78Å; E95-V157 HydrophobicContact CB-CG1 3.91Å; E95-V157 HydrophobicContact CG-CG1 4Å; E95-A204 CarbonylContact O-C 3.59Å; E95-A204 WeakPolarHBondContact O-CA 3.33Å; E95-N205 HydrophobicContact CB-CB 4.34Å; E95-N205 PolarHBondContact N-O 3.13Å; E95-N205 PolarHBondContact O-N 2.93Å; E95-F211 HydrophobicContact CB-CD1 4.1Å; E95-F211 HydrophobicContact CB-CE1 4.41Å; E95-F211 HydrophobicContact CG-CD1 3.79Å; E95-F211 HydrophobicContact CG-CE1 4.4Å; E95-F211 WeakPolarHBondContact OE2-CA 3.31Å; E95-V212 PolarHBondContact OE1-N 2.96Å; E95-V212 PolarHBondContact OE2-N 3.17Å; E95-F213 PolarHBondContact OE1-N 3.2Å
96	V	98.9	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	116	176.4	179.6	0	0	0	0	108.9	F94 I109 I158 V193 V202 D203	F94-V96 HydrophobicContact CD2-CG2 3.97Å; F94-V96 HydrophobicContact CE2-CG2 3.73Å; V96-I109 HydrophobicContact CB-CD1 3.91Å; V96-I109 HydrophobicContact CB-CG1 4.39Å; V96-I109 HydrophobicContact CB-CG2 4.36Å; V96-I109 HydrophobicContact CG1-CD1 3.87Å; V96-I109 HydrophobicContact CG1-CG1 4.24Å; V96-I109 HydrophobicContact CG2-CG2 3.93Å; V96-I158 PolarHBondContact N-O 2.94Å; V96-I158 PolarHBondContact O-N 3.41Å; V96-V193 HydrophobicContact CG1-CG1 4.2Å; V96-V193 HydrophobicContact CG2-CG1 3.88Å; V96-V202 HydrophobicContact CG1-CB 3.65Å; V96-V202 HydrophobicContact CG1-CG1 4.21Å; V96-V202 HydrophobicContact CG1-CG2 3.93Å; V96-D203 CarbonylContact C-O 3.43Å; V96-D203 VanDerWaalsContact CA-O 3.31Å; V96-D203 WeakPolarHBondContact CA-O 3.37Å
97	K	98.9	Very high	97.7	Very high	88 Å²	88	27.5 Å²	27.5	38%	0.383	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.8	173.3	179.4	71.7	178.1	-173.3	0	109.4	V99 G155 V157 V202 D203	K97-V99 PolarHBondContact O-N 3.22Å; K97-G155 WeakPolarHBondContact CE-O 3.47Å; K97-G155 PolarHBondContact NZ-O 3.34Å; K97-V157 HydrophobicContact CD-CG2 3.43Å; K97-V157 VanDerWaalsContact CD-CG2 3.43Å; K97-V202 CarbonylContact O-C 3.5Å; K97-V202 VanDerWaalsContact O-CA 3.24Å; K97-V202 WeakPolarHBondContact O-CA 3.37Å; K97-D203 HydrophobicContact CB-CB 4.33Å; K97-D203 PolarHBondContact N-O 3.08Å; K97-D203 PolarHBondContact O-N 3.34Å
98	I	98.9	Very high	98	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	102.3	170	-46.1	-55.9	0	0	0	108.8	M107 I109 F152 T153 G155 D156 V202	I98-M107 HydrophobicContact CD1-CE 4.25Å; I98-M107 HydrophobicContact CD1-SD 4.3Å; I98-M107 HydrophobicContact CG2-CE 3.73Å; I98-M107 HydrophobicContact CG2-SD 3.85Å; I98-I109 HydrophobicContact CD1-CD1 4.05Å; I98-F152 HydrophobicContact CD1-CD2 3.91Å; I98-F152 HydrophobicContact CD1-CE2 3.92Å; I98-F152 HydrophobicContact CG1-CD2 4Å; I98-T153 VanDerWaalsContact CB-O 3.31Å; I98-T153 WeakPolarHBondContact CB-O 3.34Å; I98-G155 PolarHBondContact O-N 3.27Å; I98-D156 HydrophobicContact CG1-CB 4.41Å; I98-D156 PolarHBondContact N-O 3.31Å; I98-V202 HydrophobicContact CD1-CG1 3.74Å
99	V	98.9	Very high	98.3	Very high	51 Å²	51	26.4 Å²	26.4	31%	0.309	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-37.5	178.1	-178.1	0	0	0	0	110.5	K97 I201 D203	K97-V99 PolarHBondContact O-N 3.22Å; V99-I201 HydrophobicContact CB-CB 4.06Å; V99-I201 HydrophobicContact CB-CG2 3.84Å; V99-I201 WeakPolarHBondContact CB-O 3.33Å; V99-I201 HydrophobicContact CG1-CB 4.41Å; V99-I201 HydrophobicContact CG1-CG2 4.08Å; V99-I201 HydrophobicContact CG2-CG2 4.26Å; V99-I201 PolarHBondContact N-O 3.19Å; V99-D203 HydrophobicContact CG2-CB 4.1Å; V99-D203 VanDerWaalsContact CG2-CG 3.43Å; V99-D203 VanDerWaalsContact CG2-OD2 3.25Å; V99-D203 WeakPolarHBondContact CG2-OD2 3.37Å
100	S	98.8	Very high	98.5	Very high	37 Å²	37	26.3 Å²	26.3	26%	0.259	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	129.1	175.1	168.6	0	0	0	0	109.5	G102 G199 E200 I201	S100-G102 PolarHBondContact O-N 2.87Å; S100-G102 PolarHBondContact OG-N 2.75Å; S100-G102 VanDerWaalsContact OG-N 3.09Å; S100-G199 VanDerWaalsContact CB-O 3.31Å; S100-G199 WeakPolarHBondContact CB-O 3.5Å; S100-G199 PolarHBondContact OG-O 3.09Å; S100-E200 WeakPolarHBondContact O-CA 3.38Å; S100-I201 PolarHBondContact N-O 3.2Å; S100-I201 PolarHBondContact O-N 3.45Å
101	K	98.6	Very high	98.7	Very high	77 Å²	77	26.3 Å²	26.3	34%	0.335	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-0.7	170.6	73.3	127.8	-178.6	169.8	0	114.3	R103 G105 M107 T154 E200	K101-R103 PolarHBondContact NZ-O 3.26Å; K101-G105 WeakPolarHBondContact O-CA 3.23Å; K101-G105 PolarHBondContact O-N 2.92Å; K101-M107 HydrophobicContact CB-CE 3.87Å; K101-T154 WeakPolarHBondContact CG-OG1 3.45Å; K101-T154 PolarHBondContact N-OG1 3.02Å; K101-E200 VanDerWaalsContact O-CG 3.27Å; K101-E200 WeakPolarHBondContact O-CG 3.48Å
102	G	98.4	Very high	98.7	Very high	23 Å²	23	26.3 Å²	26.3	24%	0.237	13%	0.129	C	C	.	.			trans	57	-138.6	-176.1	0	0	0	0	0	112.9	S100 P198 G199	S100-G102 PolarHBondContact O-N 2.87Å; S100-G102 PolarHBondContact OG-N 2.75Å; S100-G102 VanDerWaalsContact OG-N 3.09Å; G102-P198 WeakPolarHBondContact CA-O 3.48Å; G102-G199 VanDerWaalsContact CA-O 3.27Å; G102-G199 WeakPolarHBondContact CA-O 3.25Å; G102-G199 PolarHBondContact N-O 3.27Å
103	R	98.3	Very high	98.7	Very high	119 Å²	119	27.3 Å²	27.3	45%	0.449	14%	0.137	S	C	.	.	S	Bend	trans	-70.9	-64.9	-179.9	-165.7	-175.1	66.2	-143	-5.7	111.4	G70 K101 P198	G70-R103 PolarHBondContact O-NH1 3.32Å; G70-R103 VanDerWaalsContact O-NH1 3.11Å; G70-R103 PolarHBondContact O-NH2 2.95Å; K101-R103 PolarHBondContact NZ-O 3.26Å; R103-P198 PolarHBondContact N-O 3.22Å; R103-P198 VanDerWaalsContact N-O 3.09Å
104	D	98.1	Very high	98.7	Very high	58 Å²	58	34.4 Å²	34.4	31%	0.31	17%	0.17	S	C	.	.	S	Bend	trans	-105.6	-36.4	-169.2	-51.4	-38.8	0	0	0	112.3	Y106 T197	D104-Y106 HydrophobicContact CB-CD2 3.72Å; D104-Y106 HydrophobicContact CB-CE1 4.3Å; D104-Y106 HydrophobicContact CB-CE2 3.45Å; D104-Y106 VanDerWaalsContact CB-CE2 3.45Å; D104-Y106 HydrophobicContact CB-CG 4.22Å; D104-Y106 WeakPolarHBondContact OD2-CE2 3.3Å; D104-T197 HydrophobicContact CB-CG2 3.95Å; D104-T197 PolarHBondContact N-OG1 2.95Å; D104-T197 WeakPolarHBondContact OD2-CG2 3.48Å
105	G	97.8	Very high	98.5	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	20%	0.203	C	C	.	.			trans	92	28.4	-179	0	0	0	0	0	114	K101 M107 E200	K101-G105 WeakPolarHBondContact O-CA 3.23Å; K101-G105 PolarHBondContact O-N 2.92Å; G105-M107 PolarHBondContact O-N 3.47Å; G105-E200 WeakPolarHBondContact CA-OE1 3.38Å; G105-E200 PolarHBondContact N-OE1 3.49Å
106	Y	98.5	Very high	98.5	Very high	84 Å²	84	38.1 Å²	38.1	33%	0.329	21%	0.207	S	C	.	.			trans	-75.9	67.6	178.4	-64.1	-40.5	0	0	0	110.4	D104 D134 Q196 T197 E200	D104-Y106 HydrophobicContact CB-CD2 3.72Å; D104-Y106 HydrophobicContact CB-CE1 4.3Å; D104-Y106 HydrophobicContact CB-CE2 3.45Å; D104-Y106 VanDerWaalsContact CB-CE2 3.45Å; D104-Y106 HydrophobicContact CB-CG 4.22Å; D104-Y106 WeakPolarHBondContact OD2-CE2 3.3Å; Y106-D134 HydrophobicContact CD1-CB 3.71Å; Y106-D134 WeakPolarHBondContact CD1-OD2 3.45Å; Y106-D134 HydrophobicContact CE1-CB 3.92Å; Y106-D134 WeakPolarHBondContact CE1-OD2 3.35Å; Y106-Q196 HydrophobicContact CD2-CG 4.43Å; Y106-Q196 PolarHBondContact O-N 3.18Å; Y106-T197 HydrophobicContact CD2-CG2 3.37Å; Y106-T197 HydrophobicContact CE2-CG2 4.13Å; Y106-T197 HydrophobicContact CG-CG2 4.18Å; Y106-E200 PolarHBondContact N-OE1 3.15Å
107	M	98.8	Very high	98.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.228	C	C	.	.			trans	-112.9	120.2	-172.7	-56.9	172.6	-64.5	0	0	109.3	I98 K101 G105 H132 G133 F152 G194 L195 E200 V202	I98-M107 HydrophobicContact CD1-CE 4.25Å; I98-M107 HydrophobicContact CD1-SD 4.3Å; I98-M107 HydrophobicContact CG2-CE 3.73Å; I98-M107 HydrophobicContact CG2-SD 3.85Å; K101-M107 HydrophobicContact CB-CE 3.87Å; G105-M107 PolarHBondContact O-N 3.47Å; M107-H132 WeakPolarHBondContact O-CA 3.13Å; M107-G133 PolarHBondContact O-N 2.96Å; M107-F152 HydrophobicContact CB-CE2 4.37Å; M107-F152 HydrophobicContact CE-CD2 4.41Å; M107-F152 HydrophobicContact CE-CE2 4.38Å; M107-G194 CarbonylContact C-O 3.49Å; M107-G194 WeakPolarHBondContact CA-O 3.35Å; M107-L195 HydrophobicContact CB-CD2 4.15Å; M107-L195 HydrophobicContact CG-CD2 3.8Å; M107-E200 HydrophobicContact CG-CB 4.41Å; M107-E200 HydrophobicContact CG-CG 3.95Å; M107-E200 HydrophobicContact SD-CG 4.18Å; M107-V202 HydrophobicContact SD-CG1 4.18Å
108	G	98.8	Very high	98.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.5	175.4	0	0	0	0	0	111.2	Y131 V193 G194	G108-Y131 WeakPolarHBondContact CA-O 3.4Å; G108-V193 CarbonylContact O-C 3.54Å; G108-V193 WeakPolarHBondContact O-CA 3.47Å; G108-G194 PolarHBondContact N-O 2.91Å; G108-G194 PolarHBondContact O-N 2.89Å
109	I	98.9	Very high	98.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.1	177.8	-60.4	164.2	0	0	0	108	F94 V96 I98 G130 Y131 F152 I158 Y171 V193	F94-I109 HydrophobicContact CE2-CG2 4.37Å; V96-I109 HydrophobicContact CB-CD1 3.91Å; V96-I109 HydrophobicContact CB-CG1 4.39Å; V96-I109 HydrophobicContact CB-CG2 4.36Å; V96-I109 HydrophobicContact CG1-CD1 3.87Å; V96-I109 HydrophobicContact CG1-CG1 4.24Å; V96-I109 HydrophobicContact CG2-CG2 3.93Å; I98-I109 HydrophobicContact CD1-CD1 4.05Å; I109-G130 CarbonylContact O-C 3.57Å; I109-G130 WeakPolarHBondContact O-CA 3.34Å; I109-Y131 PolarHBondContact N-O 2.66Å; I109-Y131 PolarHBondContact O-N 3.42Å; I109-F152 HydrophobicContact CD1-CE2 3.82Å; I109-F152 HydrophobicContact CD1-CZ 3.82Å; I109-F152 HydrophobicContact CG1-CZ 4.32Å; I109-I158 HydrophobicContact CD1-CB 3.69Å; I109-I158 HydrophobicContact CD1-CG1 4.06Å; I109-I158 HydrophobicContact CD1-CG2 3.9Å; I109-Y171 HydrophobicContact CG2-CE1 4.42Å; I109-Y171 WeakPolarHBondContact O-CE1 3.37Å; I109-Y171 PolarHBondContact O-OH 3.26Å; I109-V193 HydrophobicContact CG1-CG1 4.15Å; I109-V193 HydrophobicContact CG2-CG1 4.37Å
110	G	98.8	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.5	-130	176.2	0	0	0	0	0	114.3	Y129 Y171 T192	G110-Y129 CarbonylContact C-O 3.45Å; G110-Y129 WeakPolarHBondContact CA-O 3.43Å; G110-Y171 WeakPolarHBondContact CA-OH 3.38Å; G110-T192 CarbonylContact C-O 3.56Å; G110-T192 PolarHBondContact N-O 3Å; G110-T192 PolarHBondContact O-N 3.21Å
111	L	98.9	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.2	-165.9	-57.6	172.2	0	0	0	112.1	I85 F94 S128 Y129 V162 L185 L189 Y190	I85-L111 HydrophobicContact CD1-CD2 3.97Å; F94-L111 HydrophobicContact CE1-CD2 4.39Å; L111-S128 WeakPolarHBondContact O-CA 3.5Å; L111-S128 PolarHBondContact O-OG 3.33Å; L111-Y129 HydrophobicContact CB-CD2 4.33Å; L111-Y129 PolarHBondContact N-O 3Å; L111-Y129 PolarHBondContact O-N 3.08Å; L111-Y129 VanDerWaalsContact O-O 3.12Å; L111-V162 HydrophobicContact CD1-CG1 4.44Å; L111-V162 HydrophobicContact CD1-CG2 3.72Å; L111-V162 HydrophobicContact CD2-CG2 3.93Å; L111-V162 HydrophobicContact CG-CG2 4.39Å; L111-L185 HydrophobicContact CD1-CD1 4.13Å; L111-L189 HydrophobicContact CB-CB 4.21Å; L111-L189 HydrophobicContact CB-CD1 4.12Å; L111-L189 HydrophobicContact CB-CD2 4.47Å; L111-L189 HydrophobicContact CD1-CD1 3.81Å; L111-L189 HydrophobicContact CD2-CB 4.49Å; L111-Y190 VanDerWaalsContact CA-O 3.31Å; L111-Y190 WeakPolarHBondContact CA-O 3.49Å
112	S	98.8	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.3	166.9	67.3	0	0	0	0	112.4	R80 H127 Y190 T192	R80-S112 WeakPolarHBondContact CD-OG 3.48Å; R80-S112 VanDerWaalsContact CG-OG 3.28Å; R80-S112 WeakPolarHBondContact CG-OG 3.37Å; R80-S112 PolarHBondContact NH1-OG 2.82Å; S112-H127 WeakPolarHBondContact CA-O 2.96Å; S112-Y190 PolarHBondContact N-O 3.39Å; S112-Y190 PolarHBondContact O-N 2.79Å; S112-T192 WeakPolarHBondContact CB-OG1 3.46Å; S112-T192 PolarHBondContact N-OG1 3.25Å; S112-T192 VanDerWaalsContact N-OG1 3.12Å; S112-T192 PolarHBondContact OG-OG1 3.49Å
113	A	98.6	Very high	98.4	Very high	22 Å²	22	34.6 Å²	34.6	18%	0.182	18%	0.181	C	C	.	.			trans	-70.7	161.5	170	0	0	0	0	0	111.4	R80 G115 V116 H127 L189	R80-A113 PolarHBondContact NH1-O 3.41Å; A113-G115 PolarHBondContact O-N 3.08Å; A113-V116 HydrophobicContact CB-CG2 4.1Å; A113-V116 WeakPolarHBondContact O-CG2 3.17Å; A113-V116 PolarHBondContact O-N 3.16Å; A113-H127 HydrophobicContact CB-CB 3.74Å; A113-H127 PolarHBondContact N-O 3.42Å; A113-L189 HydrophobicContact CB-CD2 4.27Å
114	Q	98.4	Very high	98.4	Very high	148 Å²	148	30.6 Å²	30.6	69%	0.692	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	138.1	174.2	-164.5	177.7	15.6	0	0	111	V116 Y190	Q114-V116 PolarHBondContact O-N 3.36Å; Q114-Y190 HydrophobicContact CB-CE2 3.85Å; Q114-Y190 HydrophobicContact CG-CE2 4.38Å
115	G	96.4	Very high	98.4	Very high	66 Å²	66	29.8 Å²	29.8	68%	0.68	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	-3.7	175.7	0	0	0	0	0	115.8	A113	A113-G115 PolarHBondContact O-N 3.08Å
116	V	98.2	Very high	98.4	Very high	19 Å²	19	37.5 Å²	37.5	12%	0.115	19%	0.194	C	C	.	.			trans	-56.7	141	167.7	172.8	0	0	0	0	109.5	R80 A113 Q114 M118 D125 H127	R80-V116 PolarHBondContact NH1-O 2.88Å; R80-V116 PolarHBondContact NH2-O 3.2Å; A113-V116 HydrophobicContact CB-CG2 4.1Å; A113-V116 WeakPolarHBondContact O-CG2 3.17Å; A113-V116 PolarHBondContact O-N 3.16Å; Q114-V116 PolarHBondContact O-N 3.36Å; V116-M118 HydrophobicContact CG1-CE 4.5Å; V116-M118 PolarHBondContact O-N 3.45Å; V116-D125 HydrophobicContact CG1-CB 4.23Å; V116-H127 HydrophobicContact CG2-CB 4.37Å
117	N	98.2	Very high	98.4	Very high	83 Å²	83	38.4 Å²	38.4	44%	0.444	20%	0.201	S	C	.	.			trans	-60.7	122.8	-177.8	-178.8	8.8	0	0	0	111.7	N119 R120	N117-N119 WeakPolarHBondContact OD1-CB 3.31Å; N117-N119 PolarHBondContact OD1-N 2.95Å; N117-R120 HydrophobicContact CB-CG 4.2Å
118	M	98.6	Very high	98.4	Very high	15 Å²	15	38.5 Å²	38.5	7%	0.074	20%	0.202	C	C	.	.	S	Bend	trans	-85.7	-4	-180	-63.2	-73.3	81.7	0	0	113.9	Y52 A77 S78 R80 V116 R120 T192	Y52-M118 WeakPolarHBondContact CB-O 3.45Å; A77-M118 CarbonylContact C-O 3.57Å; A77-M118 WeakPolarHBondContact CA-O 3.46Å; S78-M118 PolarHBondContact N-O 3.31Å; R80-M118 HydrophobicContact CG-SD 4.1Å; V116-M118 HydrophobicContact CG1-CE 4.5Å; V116-M118 PolarHBondContact O-N 3.45Å; M118-R120 PolarHBondContact O-N 3.08Å; M118-T192 HydrophobicContact CE-CG2 4.21Å
119	N	98.4	Very high	98.4	Very high	40 Å²	40	39.2 Å²	39.2	21%	0.214	20%	0.204	C	C	.	.	S	Bend	trans	-82.1	39.1	172.1	-160.7	167	0	0	0	111.9	Y52 K74 A76 N117	Y52-N119 HydrophobicContact CD2-CB 3.73Å; Y52-N119 HydrophobicContact CE2-CB 3.48Å; Y52-N119 VanDerWaalsContact CE2-CB 3.48Å; Y52-N119 VanDerWaalsContact CE2-CG 3.48Å; Y52-N119 WeakPolarHBondContact CE2-OD1 3.48Å; Y52-N119 HydrophobicContact CG-CB 4.35Å; Y52-N119 PolarHBondContact OH-OD1 2.86Å; K74-N119 PolarHBondContact O-ND2 3.31Å; A76-N119 CarbonylContact O-C 3.06Å; A76-N119 VanDerWaalsContact O-CA 3.26Å; A76-N119 WeakPolarHBondContact O-CA 3.44Å; A76-N119 PolarHBondContact O-ND2 3.31Å; N117-N119 WeakPolarHBondContact OD1-CB 3.31Å; N117-N119 PolarHBondContact OD1-N 2.95Å
120	R	98.4	Very high	98.4	Very high	61 Å²	61	39.1 Å²	39.1	23%	0.23	20%	0.204	C	C	.	.	S	Bend	trans	-150.7	157.6	-170.1	-54.9	-68.2	-88.8	147	1.4	108.6	A76 S78 N117 M118 W124 D125	A76-R120 PolarHBondContact O-N 3.06Å; S78-R120 WeakPolarHBondContact CB-O 3.45Å; S78-R120 PolarHBondContact OG-O 3.16Å; N117-R120 HydrophobicContact CB-CG 4.2Å; M118-R120 PolarHBondContact O-N 3.08Å; R120-W124 HydrophobicContact CB-CE3 4.29Å; R120-W124 PolarHBondContact NH2-O 3.22Å; R120-D125 IonicContact CZ-OD1 3.17Å; R120-D125 IonicContact NE-OD1 2.73Å; R120-D125 PolarHBondContact NE-OD1 3.15Å; R120-D125 IonicContact NE-OD2 3.56Å; R120-D125 IonicContact NH2-OD1 2.74Å; R120-D125 PolarHBondContact NH2-OD1 2.73Å
121	L	98.7	Very high	98.4	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.204	C	C	.	.			trans	-81	152.2	163.7	-63.6	-175.1	0	0	0	110.3	A76 W124 H132 Q196	A76-L121 HydrophobicContact CB-CD2 4.24Å; A76-L121 HydrophobicContact CB-CG 4.06Å; L121-W124 HydrophobicContact CB-CD2 4.02Å; L121-W124 HydrophobicContact CB-CE3 4.16Å; L121-W124 HydrophobicContact CB-CH2 4.29Å; L121-W124 HydrophobicContact CB-CZ2 4.14Å; L121-W124 HydrophobicContact CB-CZ3 4.3Å; L121-W124 HydrophobicContact CD1-CH2 3.9Å; L121-W124 HydrophobicContact CD1-CZ2 3.73Å; L121-W124 HydrophobicContact CG-CH2 3.91Å; L121-W124 HydrophobicContact CG-CZ2 4.06Å; L121-W124 HydrophobicContact CG-CZ3 4.15Å; L121-W124 PolarHBondContact O-N 2.62Å; L121-H132 VanDerWaalsContact CB-CE1 3.41Å; L121-H132 WeakPolarHBondContact CB-CE1 3.23Å; L121-Q196 HydrophobicContact CD2-CB 4.37Å
122	P	98.7	Very high	98.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	139.8	176.8	-26.3	35.5	0	0	0	111.9	S128 H132 T192	P122-S128 WeakPolarHBondContact CA-OG 3.36Å; P122-H132 PolarHBondContact O-NE2 3.42Å; P122-T192 HydrophobicContact CG-CG2 3.87Å
123	G	98.6	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-25.9	-179.4	0	0	0	0	0	115.7	D125 S128 F139 S141 S142	G123-D125 PolarHBondContact O-N 3.26Å; G123-S128 WeakPolarHBondContact CA-O 3.43Å; G123-S128 PolarHBondContact N-OG 2.81Å; G123-F139 WeakPolarHBondContact CA-O 3.44Å; G123-S141 CarbonylContact O-C 3.54Å; G123-S141 WeakPolarHBondContact O-CA 3.35Å; G123-S141 PolarHBondContact O-N 3.23Å; G123-S141 VanDerWaalsContact O-N 3.16Å; G123-S142 CarbonylContact O-C 3.53Å; G123-S142 PolarHBondContact O-N 3.01Å
124	W	98.4	Very high	98.4	Very high	35 Å²	35	41.4 Å²	41.4	13%	0.133	21%	0.214	C	C	.	.	S	Bend	trans	-72.3	-24.2	-173.3	-73.9	-2.8	0	0	0	115.9	H73 A76 R120 L121 H132 F139 S142 G143	H73-W124 HydrophobicContact CB-CH2 3.95Å; H73-W124 HydrophobicContact CB-CZ3 4.27Å; A76-W124 HydrophobicContact CB-CH2 4.35Å; A76-W124 HydrophobicContact CB-CZ3 3.81Å; R120-W124 HydrophobicContact CB-CE3 4.29Å; R120-W124 PolarHBondContact NH2-O 3.22Å; L121-W124 HydrophobicContact CB-CD2 4.02Å; L121-W124 HydrophobicContact CB-CE3 4.16Å; L121-W124 HydrophobicContact CB-CH2 4.29Å; L121-W124 HydrophobicContact CB-CZ2 4.14Å; L121-W124 HydrophobicContact CB-CZ3 4.3Å; L121-W124 HydrophobicContact CD1-CH2 3.9Å; L121-W124 HydrophobicContact CD1-CZ2 3.73Å; L121-W124 HydrophobicContact CG-CH2 3.91Å; L121-W124 HydrophobicContact CG-CZ2 4.06Å; L121-W124 HydrophobicContact CG-CZ3 4.15Å; L121-W124 PolarHBondContact O-N 2.62Å; W124-H132 AromaticContact CD1-CE1 3.94Å; W124-H132 AromaticContact CE2-CE1 3.88Å; W124-H132 AromaticContact NE1-CE1 3.35Å; W124-H132 PolarHBondContact NE1-CE1 3.44Å; W124-H132 VanDerWaalsContact NE1-CE1 3.35Å; W124-F139 AromaticContact CD1-CD1 3.46Å; W124-F139 VanDerWaalsContact CD1-CD1 3.46Å; W124-F139 AromaticContact CD1-CE1 3.85Å; W124-F139 AromaticContact NE1-CD1 3.61Å; W124-F139 AromaticContact NE1-CE1 3.51Å; W124-S142 WeakPolarHBondContact CA-O 3.48Å; W124-S142 CarbonylContact O-C 3.48Å; W124-G143 PolarHBondContact O-N 3.28Å
125	D	98.1	Very high	98.4	Very high	40 Å²	40	37 Å²	37	21%	0.214	20%	0.195	C	C	.	.	S	Bend	trans	-117.4	157.4	-177.9	-78.5	12.1	0	0	0	110.5	V116 R120 G123 S128 S141	V116-D125 HydrophobicContact CG1-CB 4.23Å; R120-D125 IonicContact CZ-OD1 3.17Å; R120-D125 IonicContact NE-OD1 2.73Å; R120-D125 PolarHBondContact NE-OD1 3.15Å; R120-D125 IonicContact NE-OD2 3.56Å; R120-D125 IonicContact NH2-OD1 2.74Å; R120-D125 PolarHBondContact NH2-OD1 2.73Å; G123-D125 PolarHBondContact O-N 3.26Å; D125-S128 WeakPolarHBondContact O-CB 3.2Å; D125-S128 PolarHBondContact O-N 3.21Å; D125-S128 VanDerWaalsContact O-N 3.09Å; D125-S141 WeakPolarHBondContact O-CA 3.29Å
126	K	97.5	Very high	98.5	Very high	165 Å²	165	33.9 Å²	33.9	72%	0.717	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	139.7	179.8	-66.5	-173.5	178.2	-174.8	0	112.1	S128	K126-S128 PolarHBondContact O-N 3.32Å
127	H	97.9	Very high	98.5	Very high	103 Å²	103	35.5 Å²	35.5	48%	0.477	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	29	-174.8	-47	-65.5	0	0	0	113.6	S112 A113 V116 S141	S112-H127 WeakPolarHBondContact CA-O 2.96Å; A113-H127 HydrophobicContact CB-CB 3.74Å; A113-H127 PolarHBondContact N-O 3.42Å; V116-H127 HydrophobicContact CG2-CB 4.37Å; H127-S141 PolarHBondContact N-OG 2.72Å
128	S	98.8	Very high	98.5	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.5	165.2	-168.5	0	0	0	0	110.7	L111 P122 G123 D125 K126 S141	L111-S128 WeakPolarHBondContact O-CA 3.5Å; L111-S128 PolarHBondContact O-OG 3.33Å; P122-S128 WeakPolarHBondContact CA-OG 3.36Å; G123-S128 WeakPolarHBondContact CA-O 3.43Å; G123-S128 PolarHBondContact N-OG 2.81Å; D125-S128 WeakPolarHBondContact O-CB 3.2Å; D125-S128 PolarHBondContact O-N 3.21Å; D125-S128 VanDerWaalsContact O-N 3.09Å; K126-S128 PolarHBondContact O-N 3.32Å; S128-S141 WeakPolarHBondContact O-CA 3.32Å; S128-S141 PolarHBondContact O-N 3Å; S128-S141 PolarHBondContact O-OG 3.41Å
129	Y	98.9	Very high	98.5	Very high	16 Å²	16	32.1 Å²	32.1	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	133.9	-171.5	-52.1	-90.3	0	0	0	107.4	G110 L111 F139 C140 F182 L185 P186 L189	G110-Y129 CarbonylContact C-O 3.45Å; G110-Y129 WeakPolarHBondContact CA-O 3.43Å; L111-Y129 HydrophobicContact CB-CD2 4.33Å; L111-Y129 PolarHBondContact N-O 3Å; L111-Y129 PolarHBondContact O-N 3.08Å; L111-Y129 VanDerWaalsContact O-O 3.12Å; Y129-F139 CarbonylContact C-O 3.51Å; Y129-F139 WeakPolarHBondContact CA-O 3.18Å; Y129-C140 VanDerWaalsContact CE1-SG 3.58Å; Y129-F182 HydrophobicContact CD1-CB 4.38Å; Y129-F182 HydrophobicContact CD1-CD1 4.14Å; Y129-F182 HydrophobicContact CD1-CD2 4.31Å; Y129-F182 HydrophobicContact CD1-CG 4.01Å; Y129-F182 HydrophobicContact CG-CD2 4.39Å; Y129-L185 HydrophobicContact CD1-CD2 3.59Å; Y129-L185 HydrophobicContact CD2-CD2 3.87Å; Y129-L185 HydrophobicContact CE1-CD2 3.59Å; Y129-L185 HydrophobicContact CE2-CD2 3.89Å; Y129-L185 HydrophobicContact CG-CD2 3.75Å; Y129-P186 HydrophobicContact CE2-CG 4.12Å; Y129-P186 WeakPolarHBondContact OH-CD 3.39Å; Y129-L189 HydrophobicContact CD2-CD1 4.09Å; Y129-L189 HydrophobicContact CD2-CD2 4.22Å; Y129-L189 HydrophobicContact CE2-CD1 4.07Å; Y129-L189 HydrophobicContact CE2-CD2 4.03Å
130	G	98.8	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	154.1	-175.3	0	0	0	0	0	114.7	I109 S138 F139	I109-G130 CarbonylContact O-C 3.57Å; I109-G130 WeakPolarHBondContact O-CA 3.34Å; G130-S138 CarbonylContact O-C 3.52Å; G130-S138 WeakPolarHBondContact O-CA 3.34Å; G130-F139 PolarHBondContact N-O 2.71Å; G130-F139 PolarHBondContact O-N 3.18Å
131	Y	98.9	Very high	98.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.6	173.3	169.4	-143.9	0	0	0	108.3	G108 I109 G136 H137 Y148 P150 F152 I158 Y171 L178	G108-Y131 WeakPolarHBondContact CA-O 3.4Å; I109-Y131 PolarHBondContact N-O 2.66Å; I109-Y131 PolarHBondContact O-N 3.42Å; Y131-G136 WeakPolarHBondContact CE2-O 3.5Å; Y131-H137 WeakPolarHBondContact CA-O 3.44Å; Y131-Y148 HydrophobicContact CD1-CE1 4.33Å; Y131-Y148 AromaticContact CD2-CD1 3.73Å; Y131-Y148 HydrophobicContact CD2-CD1 3.73Å; Y131-Y148 HydrophobicContact CD2-CE1 4.18Å; Y131-Y148 HydrophobicContact CE1-CE1 4.45Å; Y131-Y148 AromaticContact CE2-CD1 3.91Å; Y131-Y148 HydrophobicContact CE2-CD1 3.91Å; Y131-Y148 HydrophobicContact CE2-CE1 4.32Å; Y131-Y148 HydrophobicContact CG-CD1 4.15Å; Y131-Y148 HydrophobicContact CG-CE1 4.18Å; Y131-P150 PolarHBondContact OH-O 3.35Å; Y131-F152 HydrophobicContact CD1-CD1 4.3Å; Y131-F152 AromaticContact CD1-CE1 3.76Å; Y131-F152 HydrophobicContact CD1-CE1 3.76Å; Y131-F152 HydrophobicContact CD2-CE1 4.14Å; Y131-F152 AromaticContact CE1-CD1 3.8Å; Y131-F152 HydrophobicContact CE1-CD1 3.8Å; Y131-F152 AromaticContact CE1-CE1 3.73Å; Y131-F152 HydrophobicContact CE1-CE1 3.73Å; Y131-F152 HydrophobicContact CE2-CD1 4.23Å; Y131-F152 HydrophobicContact CE2-CE1 4.09Å; Y131-F152 AromaticContact CG-CE1 3.97Å; Y131-F152 HydrophobicContact CG-CE1 3.97Å; Y131-F152 AromaticContact CZ-CD1 3.75Å; Y131-F152 AromaticContact CZ-CE1 3.9Å; Y131-I158 HydrophobicContact CD1-CG2 3.89Å; Y131-I158 HydrophobicContact CE1-CD1 4.31Å; Y131-I158 HydrophobicContact CE1-CG2 4Å; Y131-Y171 AromaticContact CD1-CD1 3.73Å; Y131-Y171 HydrophobicContact CD1-CD1 3.73Å; Y131-Y171 HydrophobicContact CD1-CD2 4.08Å; Y131-Y171 HydrophobicContact CD1-CE1 4.33Å; Y131-Y171 AromaticContact CD1-CG 3.58Å; Y131-Y171 HydrophobicContact CD1-CG 3.58Å; Y131-Y171 HydrophobicContact CE1-CG 4.38Å; Y131-Y171 HydrophobicContact CG-CD1 4.36Å; Y131-Y171 HydrophobicContact CG-CD2 4.21Å; Y131-Y171 HydrophobicContact CG-CE2 4.45Å; Y131-Y171 HydrophobicContact CG-CG 4.16Å; Y131-L178 HydrophobicContact CE1-CD1 3.64Å; Y131-L178 WeakPolarHBondContact OH-CD1 3.29Å
132	H	98.9	Very high	98.3	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.9	-166.5	-70.5	-141.4	0	0	0	111.7	M107 L121 P122 W124 G136 H137 F139	M107-H132 WeakPolarHBondContact O-CA 3.13Å; L121-H132 VanDerWaalsContact CB-CE1 3.41Å; L121-H132 WeakPolarHBondContact CB-CE1 3.23Å; P122-H132 PolarHBondContact O-NE2 3.42Å; W124-H132 AromaticContact CD1-CE1 3.94Å; W124-H132 AromaticContact CE2-CE1 3.88Å; W124-H132 AromaticContact NE1-CE1 3.35Å; W124-H132 PolarHBondContact NE1-CE1 3.44Å; W124-H132 VanDerWaalsContact NE1-CE1 3.35Å; H132-G136 VanDerWaalsContact O-CA 3.29Å; H132-G136 WeakPolarHBondContact O-CA 2.98Å; H132-G136 PolarHBondContact O-N 3.28Å; H132-H137 PolarHBondContact N-O 3.04Å; H132-H137 VanDerWaalsContact N-O 3.09Å; H132-F139 HydrophobicContact CB-CD2 4.3Å; H132-F139 HydrophobicContact CB-CE2 3.84Å; H132-F139 AromaticContact CD2-CD2 3.33Å; H132-F139 WeakPolarHBondContact CD2-CD2 3.32Å; H132-F139 AromaticContact CD2-CE2 3.7Å; H132-F139 AromaticContact CE1-CD2 3.93Å; H132-F139 AromaticContact CG-CD2 3.67Å; H132-F139 AromaticContact CG-CE2 3.51Å; H132-F139 AromaticContact ND1-CE2 3.75Å; H132-F139 AromaticContact NE2-CD2 3.53Å; H132-F139 AromaticContact NE2-CG 3.89Å
133	G	98.6	Very high	98.1	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.021	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-29.5	-167.3	0	0	0	0	0	115.4	M107 T151 F152	M107-G133 PolarHBondContact O-N 2.96Å; G133-T151 CarbonylContact O-C 3.53Å; G133-T151 WeakPolarHBondContact O-CA 3.46Å; G133-T151 WeakPolarHBondContact O-CB 3.38Å; G133-F152 VanDerWaalsContact CA-CE1 3.46Å; G133-F152 VanDerWaalsContact CA-CE2 3.41Å; G133-F152 VanDerWaalsContact N-CZ 3.27Å; G133-F152 PolarHBondContact O-N 3.4Å
134	D	98.3	Very high	98	Very high	65 Å²	65	41.2 Å²	41.2	35%	0.348	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-33.7	-175.5	57.7	-68.5	0	0	0	113.7	Y106 T151	Y106-D134 HydrophobicContact CD1-CB 3.71Å; Y106-D134 WeakPolarHBondContact CD1-OD2 3.45Å; Y106-D134 HydrophobicContact CE1-CB 3.92Å; Y106-D134 WeakPolarHBondContact CE1-OD2 3.35Å; D134-T151 VanDerWaalsContact O-CG2 3.23Å; D134-T151 WeakPolarHBondContact O-CG2 3.3Å
135	D	98.3	Very high	97.9	Very high	56 Å²	56	40.2 Å²	40.2	30%	0.299	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-14.5	-177.4	69.3	2.1	0	0	0	114	H137	D135-H137 PolarHBondContact O-CE1 2.86Å; D135-H137 PolarHBondContact O-N 3.15Å; D135-H137 PolarHBondContact O-ND1 3.01Å; D135-H137 WeakPolarHBondContact OD1-CB 3.32Å; D135-H137 IonicContact OD1-CG 3.9Å; D135-H137 PolarHBondContact OD1-N 3.09Å; D135-H137 IonicContact OD1-ND1 3.43Å; D135-H137 WeakPolarHBondContact OD2-CB 3.47Å; D135-H137 IonicContact OD2-CG 3.59Å; D135-H137 IonicContact OD2-ND1 4Å
136	G	98.6	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.			trans	71.2	11.9	-175.9	0	0	0	0	0	114.4	Y131 H132 G149	Y131-G136 WeakPolarHBondContact CE2-O 3.5Å; H132-G136 VanDerWaalsContact O-CA 3.29Å; H132-G136 WeakPolarHBondContact O-CA 2.98Å; H132-G136 PolarHBondContact O-N 3.28Å; G136-G149 WeakPolarHBondContact CA-O 3.4Å; G136-G149 PolarHBondContact O-N 3.23Å; G136-G149 VanDerWaalsContact O-O 3.09Å
137	H	98.9	Very high	97.9	Very high	52 Å²	52	40.9 Å²	40.9	24%	0.241	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	152.2	-175.6	-70.4	49.5	0	0	0	112.1	Y131 H132 D135 F139 Q146	Y131-H137 WeakPolarHBondContact CA-O 3.44Å; H132-H137 PolarHBondContact N-O 3.04Å; H132-H137 VanDerWaalsContact N-O 3.09Å; D135-H137 PolarHBondContact O-CE1 2.86Å; D135-H137 PolarHBondContact O-N 3.15Å; D135-H137 PolarHBondContact O-ND1 3.01Å; D135-H137 WeakPolarHBondContact OD1-CB 3.32Å; D135-H137 IonicContact OD1-CG 3.9Å; D135-H137 PolarHBondContact OD1-N 3.09Å; D135-H137 IonicContact OD1-ND1 3.43Å; D135-H137 WeakPolarHBondContact OD2-CB 3.47Å; D135-H137 IonicContact OD2-CG 3.59Å; D135-H137 IonicContact OD2-ND1 4Å; H137-F139 HydrophobicContact CB-CD2 4.4Å; H137-F139 HydrophobicContact CB-CE2 3.77Å; H137-F139 HydrophobicContact CB-CZ 4.36Å; H137-Q146 CarbonylContact C-O 3.58Å; H137-Q146 WeakPolarHBondContact CA-O 3.45Å; H137-Q146 VanDerWaalsContact CB-O 3.26Å; H137-Q146 WeakPolarHBondContact CB-O 3.45Å
138	S	98.7	Very high	98	Very high	14 Å²	14	38.2 Å²	38.2	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.1	167.7	69.1	0	0	0	0	110.4	G130 G145 Q146	G130-S138 CarbonylContact O-C 3.52Å; G130-S138 WeakPolarHBondContact O-CA 3.34Å; S138-G145 CarbonylContact O-C 3.56Å; S138-G145 VanDerWaalsContact O-CA 3.26Å; S138-G145 WeakPolarHBondContact O-CA 3.16Å; S138-Q146 PolarHBondContact N-O 2.89Å; S138-Q146 PolarHBondContact O-N 3.43Å
139	F	98.8	Very high	98	Very high	13 Å²	13	39.2 Å²	39.2	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.2	-178.2	-69.4	-102.5	0	0	0	108	G123 W124 Y129 G130 H132 H137 G145	G123-F139 WeakPolarHBondContact CA-O 3.44Å; W124-F139 AromaticContact CD1-CD1 3.46Å; W124-F139 VanDerWaalsContact CD1-CD1 3.46Å; W124-F139 AromaticContact CD1-CE1 3.85Å; W124-F139 AromaticContact NE1-CD1 3.61Å; W124-F139 AromaticContact NE1-CE1 3.51Å; Y129-F139 CarbonylContact C-O 3.51Å; Y129-F139 WeakPolarHBondContact CA-O 3.18Å; G130-F139 PolarHBondContact N-O 2.71Å; G130-F139 PolarHBondContact O-N 3.18Å; H132-F139 HydrophobicContact CB-CD2 4.3Å; H132-F139 HydrophobicContact CB-CE2 3.84Å; H132-F139 AromaticContact CD2-CD2 3.33Å; H132-F139 WeakPolarHBondContact CD2-CD2 3.32Å; H132-F139 AromaticContact CD2-CE2 3.7Å; H132-F139 AromaticContact CE1-CD2 3.93Å; H132-F139 AromaticContact CG-CD2 3.67Å; H132-F139 AromaticContact CG-CE2 3.51Å; H132-F139 AromaticContact ND1-CE2 3.75Å; H132-F139 AromaticContact NE2-CD2 3.53Å; H132-F139 AromaticContact NE2-CG 3.89Å; H137-F139 HydrophobicContact CB-CD2 4.4Å; H137-F139 HydrophobicContact CB-CE2 3.77Å; H137-F139 HydrophobicContact CB-CZ 4.36Å; F139-G145 VanDerWaalsContact CE1-CA 3.45Å
140	C	98.1	Very high	98	Very high	64 Å²	64	41.4 Å²	41.4	43%	0.432	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	95.3	-176.1	-173.2	0	0	0	0	109.9	Y129 S142 F182	Y129-C140 VanDerWaalsContact CE1-SG 3.58Å; C140-S142 WeakPolarHBondContact O-CB 3.48Å; C140-S142 PolarHBondContact O-N 2.84Å; C140-F182 HydrophobicContact CB-CD1 3.75Å; C140-F182 HydrophobicContact CB-CE1 3.81Å
141	S	97.4	Very high	98	Very high	38 Å²	38	45.1 Å²	45.1	27%	0.266	28%	0.281	S	S	.	.	S	Bend	trans	49.7	33	179.9	-71.3	0	0	0	0	114.9	G123 D125 H127 S128	G123-S141 CarbonylContact O-C 3.54Å; G123-S141 WeakPolarHBondContact O-CA 3.35Å; G123-S141 PolarHBondContact O-N 3.23Å; G123-S141 VanDerWaalsContact O-N 3.16Å; D125-S141 WeakPolarHBondContact O-CA 3.29Å; H127-S141 PolarHBondContact N-OG 2.72Å; S128-S141 WeakPolarHBondContact O-CA 3.32Å; S128-S141 PolarHBondContact O-N 3Å; S128-S141 PolarHBondContact O-OG 3.41Å
142	S	95.8	Very high	97.9	Very high	47 Å²	47	45.5 Å²	45.5	33%	0.329	28%	0.282	S	S	.	.	S	Bend	trans	-153	140.1	-168.9	177	0	0	0	0	110.8	G123 W124 C140 T144	G123-S142 CarbonylContact O-C 3.53Å; G123-S142 PolarHBondContact O-N 3.01Å; W124-S142 WeakPolarHBondContact CA-O 3.48Å; W124-S142 CarbonylContact O-C 3.48Å; C140-S142 WeakPolarHBondContact O-CB 3.48Å; C140-S142 PolarHBondContact O-N 2.84Å; S142-T144 PolarHBondContact O-N 3Å; S142-T144 PolarHBondContact OG-N 2.91Å; S142-T144 VanDerWaalsContact OG-N 3.15Å; S142-T144 PolarHBondContact OG-O 3.07Å
143	G	92.9	Very high	97.9	Very high	49 Å²	49	48.2 Å²	48.2	51%	0.505	30%	0.299	S	S	.	.	S	Bend	trans	-72.8	-5.8	171.7	0	0	0	0	0	114.6	W124	W124-G143 PolarHBondContact O-N 3.28Å
144	T	96.4	Very high	98	Very high	99 Å²	99	51.7 Å²	51.7	61%	0.607	32%	0.32	S	S	*	.	S	Bend	trans	-104.8	112.3	176.6	-53.2	0	0	0	0	109.4	S142	S142-T144 PolarHBondContact O-N 3Å; S142-T144 PolarHBondContact OG-N 2.91Å; S142-T144 VanDerWaalsContact OG-N 3.15Å; S142-T144 PolarHBondContact OG-O 3.07Å
145	G	96.9	Very high	98	Very high	14 Å²	14	50.4 Å²	50.4	14%	0.144	32%	0.322	C	S	.	.			trans	-72.6	162	177.3	0	0	0	0	0	112.8	S138 F139	S138-G145 CarbonylContact O-C 3.56Å; S138-G145 VanDerWaalsContact O-CA 3.26Å; S138-G145 WeakPolarHBondContact O-CA 3.16Å; F139-G145 VanDerWaalsContact CE1-CA 3.45Å
146	Q	98.2	Very high	98	Very high	115 Å²	115	48.8 Å²	48.8	54%	0.537	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.6	171.5	-62.2	-58.4	-60.6	0	0	109.9	H137 S138 Y148	H137-Q146 CarbonylContact C-O 3.58Å; H137-Q146 WeakPolarHBondContact CA-O 3.45Å; H137-Q146 VanDerWaalsContact CB-O 3.26Å; H137-Q146 WeakPolarHBondContact CB-O 3.45Å; S138-Q146 PolarHBondContact N-O 2.89Å; S138-Q146 PolarHBondContact O-N 3.43Å; Q146-Y148 PolarHBondContact O-N 3.41Å
147	P	98.6	Very high	98	Very high	105 Å²	105	49.4 Å²	49.4	68%	0.682	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	130.3	175	-24.5	33.5	0	0	0	110.9
148	Y	98.8	Very high	98	Very high	47 Å²	47	47 Å²	47	18%	0.184	31%	0.306	C	S	.	.			trans	-141	-61.1	-174.4	168.3	-112.6	0	0	0	112.6	Y131 Q146 Y171 L178 G179 A181	Y131-Y148 HydrophobicContact CD1-CE1 4.33Å; Y131-Y148 AromaticContact CD2-CD1 3.73Å; Y131-Y148 HydrophobicContact CD2-CD1 3.73Å; Y131-Y148 HydrophobicContact CD2-CE1 4.18Å; Y131-Y148 HydrophobicContact CE1-CE1 4.45Å; Y131-Y148 AromaticContact CE2-CD1 3.91Å; Y131-Y148 HydrophobicContact CE2-CD1 3.91Å; Y131-Y148 HydrophobicContact CE2-CE1 4.32Å; Y131-Y148 HydrophobicContact CG-CD1 4.15Å; Y131-Y148 HydrophobicContact CG-CE1 4.18Å; Q146-Y148 PolarHBondContact O-N 3.41Å; Y148-Y171 AromaticContact CE1-CD2 3.62Å; Y148-Y171 HydrophobicContact CE1-CD2 3.62Å; Y148-Y171 HydrophobicContact CE1-CG 4.21Å; Y148-Y171 AromaticContact CZ-CD2 3.96Å; Y148-Y171 PolarHBondContact OH-N 3.07Å; Y148-L178 HydrophobicContact CE1-CB 4.25Å; Y148-L178 HydrophobicContact CE1-CD1 4.28Å; Y148-L178 WeakPolarHBondContact OH-CB 3.47Å; Y148-G179 WeakPolarHBondContact CE2-O 3.33Å; Y148-G179 PolarHBondContact OH-O 3.32Å; Y148-A181 HydrophobicContact CD2-CB 4.07Å; Y148-A181 HydrophobicContact CE1-CB 4.09Å; Y148-A181 HydrophobicContact CE2-CB 3.62Å
149	G	98.4	Very high	98	Very high	23 Å²	23	46.3 Å²	46.3	24%	0.237	30%	0.301	C	S	.	.	S	Bend	trans	-132.3	179	-173.6	0	0	0	0	0	113	G136	G136-G149 WeakPolarHBondContact CA-O 3.4Å; G136-G149 PolarHBondContact O-N 3.23Å; G136-G149 VanDerWaalsContact O-O 3.09Å
150	P	98.7	Very high	98	Very high	63 Å²	63	45.7 Å²	45.7	41%	0.409	30%	0.299	S	S	.	.			trans	-68.1	157.6	170.1	30.7	-35.5	0	0	0	111	Y131 K173 L178	Y131-P150 PolarHBondContact OH-O 3.35Å; P150-K173 HydrophobicContact CG-CD 3.84Å; P150-L178 HydrophobicContact CG-CD2 4.35Å
151	T	98.8	Very high	98.1	Very high	78 Å²	78	42.6 Å²	42.6	48%	0.479	28%	0.278	S	S	.	.			trans	-62.1	158.3	167.4	51.9	0	0	0	0	111.4	G133 D134 K173	G133-T151 CarbonylContact O-C 3.53Å; G133-T151 WeakPolarHBondContact O-CA 3.46Å; G133-T151 WeakPolarHBondContact O-CB 3.38Å; D134-T151 VanDerWaalsContact O-CG2 3.23Å; D134-T151 WeakPolarHBondContact O-CG2 3.3Å; T151-K173 PolarHBondContact O-NZ 3Å
152	F	98.9	Very high	98.1	Very high	7 Å²	7	41 Å²	41	3%	0.031	27%	0.266	C	S	.	.			trans	-138.3	148.8	178.4	60.9	-105	0	0	0	113.2	I98 M107 I109 Y131 G133 D156 I158	I98-F152 HydrophobicContact CD1-CD2 3.91Å; I98-F152 HydrophobicContact CD1-CE2 3.92Å; I98-F152 HydrophobicContact CG1-CD2 4Å; M107-F152 HydrophobicContact CB-CE2 4.37Å; M107-F152 HydrophobicContact CE-CD2 4.41Å; M107-F152 HydrophobicContact CE-CE2 4.38Å; I109-F152 HydrophobicContact CD1-CE2 3.82Å; I109-F152 HydrophobicContact CD1-CZ 3.82Å; I109-F152 HydrophobicContact CG1-CZ 4.32Å; Y131-F152 HydrophobicContact CD1-CD1 4.3Å; Y131-F152 AromaticContact CD1-CE1 3.76Å; Y131-F152 HydrophobicContact CD1-CE1 3.76Å; Y131-F152 HydrophobicContact CD2-CE1 4.14Å; Y131-F152 AromaticContact CE1-CD1 3.8Å; Y131-F152 HydrophobicContact CE1-CD1 3.8Å; Y131-F152 AromaticContact CE1-CE1 3.73Å; Y131-F152 HydrophobicContact CE1-CE1 3.73Å; Y131-F152 HydrophobicContact CE2-CD1 4.23Å; Y131-F152 HydrophobicContact CE2-CE1 4.09Å; Y131-F152 AromaticContact CG-CE1 3.97Å; Y131-F152 HydrophobicContact CG-CE1 3.97Å; Y131-F152 AromaticContact CZ-CD1 3.75Å; Y131-F152 AromaticContact CZ-CE1 3.9Å; G133-F152 VanDerWaalsContact CA-CE1 3.46Å; G133-F152 VanDerWaalsContact CA-CE2 3.41Å; G133-F152 VanDerWaalsContact N-CZ 3.27Å; G133-F152 PolarHBondContact O-N 3.4Å; F152-D156 VanDerWaalsContact CA-OD2 3.28Å; F152-D156 WeakPolarHBondContact CA-OD2 3.34Å; F152-D156 HydrophobicContact CB-CB 4.17Å; F152-I158 HydrophobicContact CB-CD1 3.66Å; F152-I158 HydrophobicContact CB-CG1 4.07Å; F152-I158 HydrophobicContact CD1-CD1 3.72Å; F152-I158 HydrophobicContact CD1-CG1 3.86Å; F152-I158 HydrophobicContact CD2-CD1 4.41Å; F152-I158 HydrophobicContact CD2-CG1 3.91Å; F152-I158 HydrophobicContact CE1-CD1 4.46Å; F152-I158 HydrophobicContact CE1-CG1 4.23Å; F152-I158 HydrophobicContact CE2-CG1 4.28Å; F152-I158 HydrophobicContact CG-CD1 3.7Å; F152-I158 HydrophobicContact CG-CG1 3.69Å; F152-I158 HydrophobicContact CZ-CG1 4.43Å
153	T	98.9	Very high	98.2	Very high	62 Å²	62	38.8 Å²	38.8	38%	0.38	25%	0.251	S	S	.	.			trans	-150.1	-176.5	-167	-164.8	0	0	0	0	112.4	I98 G155 D156	I98-T153 VanDerWaalsContact CB-O 3.31Å; I98-T153 WeakPolarHBondContact CB-O 3.34Å; T153-G155 PolarHBondContact O-N 2.83Å; T153-D156 PolarHBondContact N-OD2 3.21Å; T153-D156 WeakPolarHBondContact O-CB 3.3Å; T153-D156 PolarHBondContact O-N 3.46Å
154	T	98.9	Very high	98.3	Very high	75 Å²	75	37.6 Å²	37.6	46%	0.46	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.9	122.7	177.1	-55.8	0	0	0	0	111.9	K101	K101-T154 WeakPolarHBondContact CG-OG1 3.45Å; K101-T154 PolarHBondContact N-OG1 3.02Å
155	G	98.6	Very high	98.1	Very high	38 Å²	38	34.6 Å²	34.6	39%	0.392	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	98	-19.1	-179.1	0	0	0	0	0	114.7	K97 I98 T153	K97-G155 WeakPolarHBondContact CE-O 3.47Å; K97-G155 PolarHBondContact NZ-O 3.34Å; I98-G155 PolarHBondContact O-N 3.27Å; T153-G155 PolarHBondContact O-N 2.83Å
156	D	98.9	Very high	98	Very high	22 Å²	22	37.2 Å²	37.2	12%	0.118	22%	0.224	C	C	.	.			trans	-71.1	151.7	174.4	-72.3	-45	0	0	0	112.1	I98 F152 T153 K173 N174	I98-D156 HydrophobicContact CG1-CB 4.41Å; I98-D156 PolarHBondContact N-O 3.31Å; F152-D156 VanDerWaalsContact CA-OD2 3.28Å; F152-D156 WeakPolarHBondContact CA-OD2 3.34Å; F152-D156 HydrophobicContact CB-CB 4.17Å; T153-D156 PolarHBondContact N-OD2 3.21Å; T153-D156 WeakPolarHBondContact O-CB 3.3Å; T153-D156 PolarHBondContact O-N 3.46Å; D156-K173 VanDerWaalsContact CG-NZ 3.34Å; D156-K173 WeakPolarHBondContact OD1-CE 3.28Å; D156-K173 IonicContact OD1-NZ 3.74Å; D156-K173 PolarHBondContact OD1-NZ 2.96Å; D156-K173 WeakPolarHBondContact OD2-CE 3.39Å; D156-K173 IonicContact OD2-NZ 2.89Å; D156-K173 PolarHBondContact OD2-NZ 3.41Å; D156-N174 WeakPolarHBondContact CA-OD1 3.36Å; D156-N174 PolarHBondContact OD1-ND2 3.46Å
157	V	98.9	Very high	97.9	Very high	13 Å²	13	35.2 Å²	35.2	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.6	166.8	179.1	0	0	0	0	107.9	E95 K97 K173 N174 V212	E95-V157 HydrophobicContact CB-CG1 3.91Å; E95-V157 HydrophobicContact CG-CG1 4Å; K97-V157 HydrophobicContact CD-CG2 3.43Å; K97-V157 VanDerWaalsContact CD-CG2 3.43Å; V157-K173 WeakPolarHBondContact O-CA 3.43Å; V157-N174 PolarHBondContact N-OD1 2.66Å; V157-N174 PolarHBondContact O-N 3.18Å; V157-V212 HydrophobicContact CB-CG2 4.29Å; V157-V212 HydrophobicContact CG1-CB 4.43Å; V157-V212 HydrophobicContact CG1-CG2 4.02Å; V157-V212 HydrophobicContact CG2-CG2 4.13Å
158	I	98.9	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.9	178.7	-56.3	-61	0	0	0	108.9	V96 I109 Y131 F152 Y171 T172 K173	V96-I158 PolarHBondContact N-O 2.94Å; V96-I158 PolarHBondContact O-N 3.41Å; I109-I158 HydrophobicContact CD1-CB 3.69Å; I109-I158 HydrophobicContact CD1-CG1 4.06Å; I109-I158 HydrophobicContact CD1-CG2 3.9Å; Y131-I158 HydrophobicContact CD1-CG2 3.89Å; Y131-I158 HydrophobicContact CE1-CD1 4.31Å; Y131-I158 HydrophobicContact CE1-CG2 4Å; F152-I158 HydrophobicContact CB-CD1 3.66Å; F152-I158 HydrophobicContact CB-CG1 4.07Å; F152-I158 HydrophobicContact CD1-CD1 3.72Å; F152-I158 HydrophobicContact CD1-CG1 3.86Å; F152-I158 HydrophobicContact CD2-CD1 4.41Å; F152-I158 HydrophobicContact CD2-CG1 3.91Å; F152-I158 HydrophobicContact CE1-CD1 4.46Å; F152-I158 HydrophobicContact CE1-CG1 4.23Å; F152-I158 HydrophobicContact CE2-CG1 4.28Å; F152-I158 HydrophobicContact CG-CD1 3.7Å; F152-I158 HydrophobicContact CG-CG1 3.69Å; F152-I158 HydrophobicContact CZ-CG1 4.43Å; I158-Y171 HydrophobicContact CG2-CD1 4.16Å; I158-T172 VanDerWaalsContact CA-O 3.32Å; I158-T172 WeakPolarHBondContact CA-O 3.17Å; I158-K173 HydrophobicContact CD1-CB 3.91Å; I158-K173 HydrophobicContact CD1-CD 4.16Å; I158-K173 HydrophobicContact CD1-CG 3.76Å
159	G	98.9	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	154.2	173.4	0	0	0	0	0	112.3	Y93 F94 Y171 T172	Y93-G159 WeakPolarHBondContact OH-CA 3.47Å; F94-G159 WeakPolarHBondContact O-CA 3.23Å; G159-Y171 CarbonylContact O-C 3.6Å; G159-Y171 WeakPolarHBondContact O-CA 3.44Å; G159-Y171 WeakPolarHBondContact O-CB 3.15Å; G159-Y171 VanDerWaalsContact O-CD1 3.28Å; G159-Y171 WeakPolarHBondContact O-CD1 3.37Å; G159-T172 VanDerWaalsContact CA-OG1 3.23Å; G159-T172 WeakPolarHBondContact CA-OG1 3.24Å; G159-T172 PolarHBondContact N-O 3.16Å; G159-T172 PolarHBondContact N-OG1 3.17Å; G159-T172 VanDerWaalsContact N-OG1 3.15Å; G159-T172 PolarHBondContact O-N 2.81Å
160	C	98.9	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	112.1	174.5	178.1	0	0	0	0	108.2	Y93 F94 C169 Y171	Y93-C160 WeakPolarHBondContact CD2-O 3.34Å; F94-C160 HydrophobicContact CD1-CB 3.99Å; F94-C160 HydrophobicContact CE1-CB 3.42Å; F94-C160 VanDerWaalsContact CE1-CB 3.42Å; F94-C160 HydrophobicContact CE2-CB 4.4Å; F94-C160 HydrophobicContact CZ-CB 3.66Å; F94-C160 PolarHBondContact N-O 3.4Å; F94-C160 PolarHBondContact O-N 2.81Å; C160-C169 VanDerWaalsContact SG-SG 3.69Å; C160-Y171 HydrophobicContact CB-CD1 3.96Å; C160-Y171 HydrophobicContact CB-CE1 3.85Å
161	C	98.9	Very high	97.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120	-178.6	-169.8	0	0	0	0	110.2	I91 Y92 Y93 C169 F170	I91-C161 VanDerWaalsContact CG2-SG 3.55Å; Y92-C161 WeakPolarHBondContact O-CA 3.42Å; Y93-C161 HydrophobicContact CD2-CB 3.63Å; Y93-C161 HydrophobicContact CE2-CB 4.12Å; C161-C169 WeakPolarHBondContact O-CA 3.28Å; C161-C169 PolarHBondContact O-SG 2.87Å; C161-F170 HydrophobicContact CB-CD1 3.79Å; C161-F170 HydrophobicContact CB-CD2 4.07Å; C161-F170 HydrophobicContact CB-CE1 3.38Å; C161-F170 HydrophobicContact CB-CE2 3.7Å; C161-F170 HydrophobicContact CB-CG 4.12Å; C161-F170 HydrophobicContact CB-CZ 3.34Å; C161-F170 PolarHBondContact N-O 2.87Å; C161-F170 PolarHBondContact O-N 2.86Å; C161-F170 WeakPolarHBondContact SG-CE1 3.48Å; C161-F170 WeakPolarHBondContact SG-CZ 3.3Å
162	V	98.7	Very high	97.9	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.2	-179	-169.3	0	0	0	0	108.9	I85 I91 Y92 L111 L164 L185	I85-V162 HydrophobicContact CD1-CB 4.27Å; I85-V162 HydrophobicContact CD1-CG2 3.82Å; I91-V162 CarbonylContact C-O 3.48Å; I91-V162 WeakPolarHBondContact CA-O 3.5Å; Y92-V162 PolarHBondContact N-O 3Å; Y92-V162 PolarHBondContact O-N 3.24Å; L111-V162 HydrophobicContact CD1-CG1 4.44Å; L111-V162 HydrophobicContact CD1-CG2 3.72Å; L111-V162 HydrophobicContact CD2-CG2 3.93Å; L111-V162 HydrophobicContact CG-CG2 4.39Å; V162-L164 HydrophobicContact CG1-CD2 3.82Å; V162-L164 HydrophobicContact CG1-CG 4.4Å; V162-L185 HydrophobicContact CG1-CD1 4.21Å
163	N	97.3	Very high	97.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	110.8	175.4	-175	-24.6	0	0	0	109.4	I91 I165 N166 N167 T168 W222	I91-N163 HydrophobicContact CG1-CB 4.42Å; N163-I165 VanDerWaalsContact C-N 3.34Å; N163-I165 WeakPolarHBondContact OD1-CA 3.45Å; N163-I165 WeakPolarHBondContact OD1-CB 3.29Å; N163-I165 WeakPolarHBondContact OD1-CG1 3.14Å; N163-I165 PolarHBondContact OD1-N 2.83Å; N163-N166 VanDerWaalsContact CB-OD1 3.31Å; N163-N166 WeakPolarHBondContact CB-OD1 3.33Å; N163-N166 PolarHBondContact ND2-OD1 3.38Å; N163-N166 PolarHBondContact O-OD1 3.37Å; N163-N166 PolarHBondContact OD1-N 3.39Å; N163-N166 PolarHBondContact OD1-OD1 2.95Å; N163-N167 CarbonylContact O-C 3.57Å; N163-N167 WeakPolarHBondContact O-CA 3.39Å; N163-N167 PolarHBondContact O-N 3.01Å; N163-T168 PolarHBondContact N-O 2.75Å; N163-T168 PolarHBondContact O-N 2.86Å; N163-W222 WeakPolarHBondContact ND2-CZ2 3.42Å
164	L	95.3	Very high	97.9	Very high	25 Å²	25	23 Å²	23	13%	0.131	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.7	-176.7	-53.3	164.1	0	0	0	112.1	I85 P86 C89 G90 V162 G605	I85-L164 HydrophobicContact CG2-CD1 3.67Å; P86-L164 VanDerWaalsContact O-CD1 3.28Å; P86-L164 WeakPolarHBondContact O-CD1 3.42Å; C89-L164 HydrophobicContact CB-CD1 4.07Å; G90-L164 WeakPolarHBondContact O-CA 3.28Å; G90-L164 WeakPolarHBondContact O-CB 3.25Å; G90-L164 PolarHBondContact O-N 3.37Å; V162-L164 HydrophobicContact CG1-CD2 3.82Å; V162-L164 HydrophobicContact CG1-CG 4.4Å; L164-G605 WeakPolarHBondContact O-CA 3.42Å; L164-G605 PolarHBondContact O-N 3.29Å
165	I	92.3	Very high	97.9	Very high	36 Å²	36	20.5 Å²	20.5	19%	0.185	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-49.5	170.1	-54.8	164.8	0	0	0	109.4	N163 W222 I226 F609	N163-I165 VanDerWaalsContact C-N 3.34Å; N163-I165 WeakPolarHBondContact OD1-CA 3.45Å; N163-I165 WeakPolarHBondContact OD1-CB 3.29Å; N163-I165 WeakPolarHBondContact OD1-CG1 3.14Å; N163-I165 PolarHBondContact OD1-N 2.83Å; I165-W222 HydrophobicContact CB-CZ3 4.42Å; I165-W222 HydrophobicContact CD1-CD2 4.21Å; I165-W222 HydrophobicContact CD1-CE3 3.51Å; I165-W222 HydrophobicContact CD1-CZ3 3.98Å; I165-W222 HydrophobicContact CG2-CZ3 4.19Å; I165-I226 HydrophobicContact CD1-CD1 4.35Å; I165-I226 HydrophobicContact CD1-CG1 4.39Å; I165-I226 HydrophobicContact CG2-CD1 4.32Å; I165-F609 HydrophobicContact CD1-CD2 3.81Å; I165-F609 HydrophobicContact CD1-CE2 3.77Å
166	N	94.2	Very high	97.9	Very high	69 Å²	69	24.4 Å²	24.4	37%	0.369	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	6.4	-175.3	70.9	-5.9	0	0	0	113.8	N163 T168	N163-N166 VanDerWaalsContact CB-OD1 3.31Å; N163-N166 WeakPolarHBondContact CB-OD1 3.33Å; N163-N166 PolarHBondContact ND2-OD1 3.38Å; N163-N166 PolarHBondContact O-OD1 3.37Å; N163-N166 PolarHBondContact OD1-N 3.39Å; N163-N166 PolarHBondContact OD1-OD1 2.95Å; N166-T168 VanDerWaalsContact C-N 3.33Å; N166-T168 PolarHBondContact ND2-OG1 2.9Å; N166-T168 PolarHBondContact O-N 3.11Å; N166-T168 PolarHBondContact OD1-N 3.21Å; N166-T168 PolarHBondContact OD1-OG1 3.47Å
167	N	96.3	Very high	97.9	Very high	73 Å²	73	26 Å²	26	39%	0.39	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	39.5	178.8	-51.9	-52.9	0	0	0	113.9	N163 T183 D184 L185	N163-N167 CarbonylContact O-C 3.57Å; N163-N167 WeakPolarHBondContact O-CA 3.39Å; N163-N167 PolarHBondContact O-N 3.01Å; N167-T183 CarbonylContact O-C 3.54Å; N167-D184 PolarHBondContact O-N 3.49Å; N167-D184 VanDerWaalsContact O-N 3.11Å; N167-L185 HydrophobicContact CB-CB 4.44Å; N167-L185 WeakPolarHBondContact O-CB 3.3Å; N167-L185 WeakPolarHBondContact O-CG 3.34Å; N167-L185 PolarHBondContact O-N 2.91Å
168	T	98.3	Very high	97.9	Very high	14 Å²	14	27.4 Å²	27.4	9%	0.086	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	160.8	178.1	63.6	0	0	0	0	112.4	N163 N166 V180 F182 T183	N163-T168 PolarHBondContact N-O 2.75Å; N163-T168 PolarHBondContact O-N 2.86Å; N166-T168 VanDerWaalsContact C-N 3.33Å; N166-T168 PolarHBondContact ND2-OG1 2.9Å; N166-T168 PolarHBondContact O-N 3.11Å; N166-T168 PolarHBondContact OD1-N 3.21Å; N166-T168 PolarHBondContact OD1-OG1 3.47Å; T168-V180 HydrophobicContact CG2-CG1 4.42Å; T168-F182 CarbonylContact C-O 3.59Å; T168-F182 VanDerWaalsContact CA-O 3.25Å; T168-F182 WeakPolarHBondContact CA-O 3.4Å; T168-T183 HydrophobicContact CG2-CG2 4.18Å
169	C	98.8	Very high	97.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.7	169	169	0	0	0	0	111.3	C160 C161 A181 F182 L185	C160-C169 VanDerWaalsContact SG-SG 3.69Å; C161-C169 WeakPolarHBondContact O-CA 3.28Å; C161-C169 PolarHBondContact O-SG 2.87Å; C169-A181 PolarHBondContact O-N 3.09Å; C169-F182 HydrophobicContact CB-CD2 4.07Å; C169-F182 PolarHBondContact N-O 2.82Å; C169-F182 PolarHBondContact O-N 3.08Å; C169-L185 HydrophobicContact CB-CD1 3.52Å
170	F	98.8	Very high	97.8	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.7	167.9	68.6	-88.1	0	0	0	110.5	C161 T172 S177 G179 F213 Y218	C161-F170 HydrophobicContact CB-CD1 3.79Å; C161-F170 HydrophobicContact CB-CD2 4.07Å; C161-F170 HydrophobicContact CB-CE1 3.38Å; C161-F170 HydrophobicContact CB-CE2 3.7Å; C161-F170 HydrophobicContact CB-CG 4.12Å; C161-F170 HydrophobicContact CB-CZ 3.34Å; C161-F170 PolarHBondContact N-O 2.87Å; C161-F170 PolarHBondContact O-N 2.86Å; C161-F170 WeakPolarHBondContact SG-CE1 3.48Å; C161-F170 WeakPolarHBondContact SG-CZ 3.3Å; F170-T172 HydrophobicContact CD2-CG2 4.23Å; F170-T172 HydrophobicContact CE2-CG2 3.86Å; F170-S177 WeakPolarHBondContact CD2-OG 3.43Å; F170-S177 WeakPolarHBondContact CE2-OG 3.39Å; F170-G179 WeakPolarHBondContact CB-O 3.45Å; F170-F213 HydrophobicContact CE2-CE1 4.2Å; F170-F213 HydrophobicContact CE2-CZ 4.09Å; F170-F213 HydrophobicContact CZ-CE1 4.15Å; F170-F213 HydrophobicContact CZ-CZ 4.21Å; F170-Y218 HydrophobicContact CE1-CD1 4.35Å; F170-Y218 AromaticContact CE1-CE1 3.61Å; F170-Y218 HydrophobicContact CE1-CE1 3.61Å; F170-Y218 AromaticContact CE1-CE2 3.99Å; F170-Y218 HydrophobicContact CE1-CE2 3.99Å; F170-Y218 AromaticContact CE1-CZ 3.4Å; F170-Y218 VanDerWaalsContact CE1-CZ 3.4Å; F170-Y218 WeakPolarHBondContact CE1-OH 3.21Å; F170-Y218 HydrophobicContact CZ-CD1 4.14Å; F170-Y218 HydrophobicContact CZ-CD2 4.32Å; F170-Y218 AromaticContact CZ-CE1 3.87Å; F170-Y218 HydrophobicContact CZ-CE1 3.87Å; F170-Y218 HydrophobicContact CZ-CE2 4.05Å; F170-Y218 HydrophobicContact CZ-CG 4.36Å; F170-Y218 AromaticContact CZ-CZ 3.82Å
171	Y	98.9	Very high	97.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	159	171.9	-64.7	-92.7	0	0	0	111.1	I109 G110 Y131 Y148 I158 G159 C160 L178 A181 F182	I109-Y171 HydrophobicContact CG2-CE1 4.42Å; I109-Y171 WeakPolarHBondContact O-CE1 3.37Å; I109-Y171 PolarHBondContact O-OH 3.26Å; G110-Y171 WeakPolarHBondContact CA-OH 3.38Å; Y131-Y171 AromaticContact CD1-CD1 3.73Å; Y131-Y171 HydrophobicContact CD1-CD1 3.73Å; Y131-Y171 HydrophobicContact CD1-CD2 4.08Å; Y131-Y171 HydrophobicContact CD1-CE1 4.33Å; Y131-Y171 AromaticContact CD1-CG 3.58Å; Y131-Y171 HydrophobicContact CD1-CG 3.58Å; Y131-Y171 HydrophobicContact CE1-CG 4.38Å; Y131-Y171 HydrophobicContact CG-CD1 4.36Å; Y131-Y171 HydrophobicContact CG-CD2 4.21Å; Y131-Y171 HydrophobicContact CG-CE2 4.45Å; Y131-Y171 HydrophobicContact CG-CG 4.16Å; Y148-Y171 AromaticContact CE1-CD2 3.62Å; Y148-Y171 HydrophobicContact CE1-CD2 3.62Å; Y148-Y171 HydrophobicContact CE1-CG 4.21Å; Y148-Y171 AromaticContact CZ-CD2 3.96Å; Y148-Y171 PolarHBondContact OH-N 3.07Å; I158-Y171 HydrophobicContact CG2-CD1 4.16Å; G159-Y171 CarbonylContact O-C 3.6Å; G159-Y171 WeakPolarHBondContact O-CA 3.44Å; G159-Y171 WeakPolarHBondContact O-CB 3.15Å; G159-Y171 VanDerWaalsContact O-CD1 3.28Å; G159-Y171 WeakPolarHBondContact O-CD1 3.37Å; C160-Y171 HydrophobicContact CB-CD1 3.96Å; C160-Y171 HydrophobicContact CB-CE1 3.85Å; Y171-L178 WeakPolarHBondContact O-CB 3.35Å; Y171-L178 PolarHBondContact O-N 2.87Å; Y171-A181 HydrophobicContact CD2-CB 3.85Å; Y171-A181 HydrophobicContact CE2-CB 3.82Å; Y171-F182 HydrophobicContact CE2-CD2 4.46Å; Y171-F182 AromaticContact CE2-CE2 3.61Å; Y171-F182 HydrophobicContact CE2-CE2 3.61Å; Y171-F182 HydrophobicContact CE2-CZ 4.17Å; Y171-F182 WeakPolarHBondContact OH-CE2 3.4Å
172	T	98.9	Very high	97.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.1	167.9	73.3	0	0	0	0	109.2	Y93 I158 G159 F170 I176 F213	Y93-T172 HydrophobicContact CE2-CG2 4.04Å; Y93-T172 PolarHBondContact OH-OG1 3.03Å; I158-T172 VanDerWaalsContact CA-O 3.32Å; I158-T172 WeakPolarHBondContact CA-O 3.17Å; G159-T172 VanDerWaalsContact CA-OG1 3.23Å; G159-T172 WeakPolarHBondContact CA-OG1 3.24Å; G159-T172 PolarHBondContact N-O 3.16Å; G159-T172 PolarHBondContact N-OG1 3.17Å; G159-T172 VanDerWaalsContact N-OG1 3.15Å; G159-T172 PolarHBondContact O-N 2.81Å; F170-T172 HydrophobicContact CD2-CG2 4.23Å; F170-T172 HydrophobicContact CE2-CG2 3.86Å; T172-I176 CarbonylContact C-O 3.59Å; T172-I176 WeakPolarHBondContact CA-O 3.45Å; T172-I176 WeakPolarHBondContact CB-O 3.49Å; T172-F213 HydrophobicContact CG2-CB 4.16Å; T172-F213 HydrophobicContact CG2-CD1 4.04Å; T172-F213 HydrophobicContact CG2-CD2 3.83Å; T172-F213 HydrophobicContact CG2-CE1 4.4Å; T172-F213 HydrophobicContact CG2-CE2 4.2Å; T172-F213 HydrophobicContact CG2-CG 3.75Å; T172-F213 HydrophobicContact CG2-CZ 4.47Å
173	K	98.9	Very high	97.8	Very high	36 Å²	36	38.1 Å²	38.1	16%	0.157	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.7	166.7	-179.3	171.7	-171	-179.2	0	109.2	P150 T151 D156 V157 I158 G175 I176 L178	P150-K173 HydrophobicContact CG-CD 3.84Å; T151-K173 PolarHBondContact O-NZ 3Å; D156-K173 VanDerWaalsContact CG-NZ 3.34Å; D156-K173 WeakPolarHBondContact OD1-CE 3.28Å; D156-K173 IonicContact OD1-NZ 3.74Å; D156-K173 PolarHBondContact OD1-NZ 2.96Å; D156-K173 WeakPolarHBondContact OD2-CE 3.39Å; D156-K173 IonicContact OD2-NZ 2.89Å; D156-K173 PolarHBondContact OD2-NZ 3.41Å; V157-K173 WeakPolarHBondContact O-CA 3.43Å; I158-K173 HydrophobicContact CD1-CB 3.91Å; I158-K173 HydrophobicContact CD1-CD 4.16Å; I158-K173 HydrophobicContact CD1-CG 3.76Å; K173-G175 PolarHBondContact O-N 3.25Å; K173-I176 PolarHBondContact N-O 3.34Å; K173-I176 PolarHBondContact O-N 3.29Å; K173-L178 HydrophobicContact CB-CD1 4.17Å; K173-L178 HydrophobicContact CB-CD2 4.26Å; K173-L178 HydrophobicContact CB-CG 4.45Å
174	N	98.8	Very high	97.7	Very high	71 Å²	71	44.6 Å²	44.6	38%	0.38	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	42.9	178	-57.7	-33	0	0	0	113.1	D156 V157	D156-N174 WeakPolarHBondContact CA-OD1 3.36Å; D156-N174 PolarHBondContact OD1-ND2 3.46Å; V157-N174 PolarHBondContact N-OD1 2.66Å; V157-N174 PolarHBondContact O-N 3.18Å
175	G	98.3	Very high	97.8	Very high	23 Å²	23	43.9 Å²	43.9	24%	0.237	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	3.3	-179.8	0	0	0	0	0	115.9	K173 F213	K173-G175 PolarHBondContact O-N 3.25Å; G175-F213 WeakPolarHBondContact O-CD2 3.17Å
176	I	98.7	Very high	98	Very high	120 Å²	120	44 Å²	44	62%	0.615	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.7	179	-55.8	176.1	0	0	0	109.8	T172 K173	T172-I176 CarbonylContact C-O 3.59Å; T172-I176 WeakPolarHBondContact CA-O 3.45Å; T172-I176 WeakPolarHBondContact CB-O 3.49Å; K173-I176 PolarHBondContact N-O 3.34Å; K173-I176 PolarHBondContact O-N 3.29Å
177	S	98.5	Very high	97.9	Very high	55 Å²	55	44.1 Å²	44.1	39%	0.385	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	139.2	175.3	-178.1	0	0	0	0	112	F170 G179	F170-S177 WeakPolarHBondContact CD2-OG 3.43Å; F170-S177 WeakPolarHBondContact CE2-OG 3.39Å; S177-G179 PolarHBondContact OG-N 3.46Å
178	L	98.7	Very high	97.9	Very high	43 Å²	43	43.8 Å²	43.8	23%	0.225	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	4.6	179.7	-57.5	178.5	0	0	0	113.1	Y131 Y148 P150 Y171 K173	Y131-L178 HydrophobicContact CE1-CD1 3.64Å; Y131-L178 WeakPolarHBondContact OH-CD1 3.29Å; Y148-L178 HydrophobicContact CE1-CB 4.25Å; Y148-L178 HydrophobicContact CE1-CD1 4.28Å; Y148-L178 WeakPolarHBondContact OH-CB 3.47Å; P150-L178 HydrophobicContact CG-CD2 4.35Å; Y171-L178 WeakPolarHBondContact O-CB 3.35Å; Y171-L178 PolarHBondContact O-N 2.87Å; K173-L178 HydrophobicContact CB-CD1 4.17Å; K173-L178 HydrophobicContact CB-CD2 4.26Å; K173-L178 HydrophobicContact CB-CG 4.45Å
179	G	98.4	Very high	97.9	Very high	35 Å²	35	43.4 Å²	43.4	36%	0.361	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.8	171.7	-175.3	0	0	0	0	0	113.8	Y148 F170 S177 A181	Y148-G179 WeakPolarHBondContact CE2-O 3.33Å; Y148-G179 PolarHBondContact OH-O 3.32Å; F170-G179 WeakPolarHBondContact CB-O 3.45Å; S177-G179 PolarHBondContact OG-N 3.46Å; G179-A181 PolarHBondContact O-N 2.99Å
180	V	98.6	Very high	97.9	Very high	86 Å²	86	44.6 Å²	44.6	52%	0.521	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	124.7	-172.5	179	0	0	0	0	111.4	T168 F182 T183	T168-V180 HydrophobicContact CG2-CG1 4.42Å; V180-F182 VanDerWaalsContact CG1-O 3.32Å; V180-F182 WeakPolarHBondContact CG1-O 3.16Å; V180-T183 HydrophobicContact CG1-CG2 4.22Å
181	A	98.4	Very high	97.9	Very high	19 Å²	19	44.2 Å²	44.2	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-38.6	174	0	0	0	0	0	112.3	Y148 C169 Y171 G179	Y148-A181 HydrophobicContact CD2-CB 4.07Å; Y148-A181 HydrophobicContact CE1-CB 4.09Å; Y148-A181 HydrophobicContact CE2-CB 3.62Å; C169-A181 PolarHBondContact O-N 3.09Å; Y171-A181 HydrophobicContact CD2-CB 3.85Å; Y171-A181 HydrophobicContact CE2-CB 3.82Å; G179-A181 PolarHBondContact O-N 2.99Å
182	F	98.5	Very high	97.9	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	144.2	-173.8	-44.3	-61.2	0	0	0	111.7	Y129 C140 T168 C169 Y171 V180 L185	Y129-F182 HydrophobicContact CD1-CB 4.38Å; Y129-F182 HydrophobicContact CD1-CD1 4.14Å; Y129-F182 HydrophobicContact CD1-CD2 4.31Å; Y129-F182 HydrophobicContact CD1-CG 4.01Å; Y129-F182 HydrophobicContact CG-CD2 4.39Å; C140-F182 HydrophobicContact CB-CD1 3.75Å; C140-F182 HydrophobicContact CB-CE1 3.81Å; T168-F182 CarbonylContact C-O 3.59Å; T168-F182 VanDerWaalsContact CA-O 3.25Å; T168-F182 WeakPolarHBondContact CA-O 3.4Å; C169-F182 HydrophobicContact CB-CD2 4.07Å; C169-F182 PolarHBondContact N-O 2.82Å; C169-F182 PolarHBondContact O-N 3.08Å; Y171-F182 HydrophobicContact CE2-CD2 4.46Å; Y171-F182 AromaticContact CE2-CE2 3.61Å; Y171-F182 HydrophobicContact CE2-CE2 3.61Å; Y171-F182 HydrophobicContact CE2-CZ 4.17Å; Y171-F182 WeakPolarHBondContact OH-CE2 3.4Å; V180-F182 VanDerWaalsContact CG1-O 3.32Å; V180-F182 WeakPolarHBondContact CG1-O 3.16Å; F182-L185 HydrophobicContact CB-CD2 3.87Å; F182-L185 HydrophobicContact CB-CG 4.33Å
183	T	97.9	Very high	97.9	Very high	81 Å²	81	44.3 Å²	44.3	50%	0.497	26%	0.264	S	S	.	.			trans	-115.5	174.6	167.9	62.1	0	0	0	0	109.6	N167 T168 V180 L185	N167-T183 CarbonylContact O-C 3.54Å; T168-T183 HydrophobicContact CG2-CG2 4.18Å; V180-T183 HydrophobicContact CG1-CG2 4.22Å; T183-L185 PolarHBondContact O-N 3.32Å; T183-L185 VanDerWaalsContact O-N 3.11Å
184	D	96.7	Very high	97.9	Very high	137 Å²	137	42.6 Å²	42.6	73%	0.733	26%	0.257	S	S	*	.	S	Bend	trans	56.1	33.5	169.8	-50.4	-74.8	0	0	0	113.9	N167	N167-D184 PolarHBondContact O-N 3.49Å; N167-D184 VanDerWaalsContact O-N 3.11Å
185	L	97.3	Very high	97.9	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.052	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-65	134.8	-178.3	-69.8	177.7	0	0	0	111.5	L111 Y129 V162 N167 C169 F182 T183 L189	L111-L185 HydrophobicContact CD1-CD1 4.13Å; Y129-L185 HydrophobicContact CD1-CD2 3.59Å; Y129-L185 HydrophobicContact CD2-CD2 3.87Å; Y129-L185 HydrophobicContact CE1-CD2 3.59Å; Y129-L185 HydrophobicContact CE2-CD2 3.89Å; Y129-L185 HydrophobicContact CG-CD2 3.75Å; V162-L185 HydrophobicContact CG1-CD1 4.21Å; N167-L185 HydrophobicContact CB-CB 4.44Å; N167-L185 WeakPolarHBondContact O-CB 3.3Å; N167-L185 WeakPolarHBondContact O-CG 3.34Å; N167-L185 PolarHBondContact O-N 2.91Å; C169-L185 HydrophobicContact CB-CD1 3.52Å; F182-L185 HydrophobicContact CB-CD2 3.87Å; F182-L185 HydrophobicContact CB-CG 4.33Å; T183-L185 PolarHBondContact O-N 3.32Å; T183-L185 VanDerWaalsContact O-N 3.11Å; L185-L189 HydrophobicContact CB-CD1 4.12Å; L185-L189 HydrophobicContact CD1-CD1 4.44Å; L185-L189 HydrophobicContact CD2-CD1 4.09Å; L185-L189 HydrophobicContact CG-CD1 4.46Å
186	P	95.9	Very high	97.9	Very high	38 Å²	38	38.9 Å²	38.9	25%	0.247	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-68.6	154.4	171.6	30.1	-35.6	0	0	0	110.8	Y129 L189	Y129-P186 HydrophobicContact CE2-CG 4.12Å; Y129-P186 WeakPolarHBondContact OH-CD 3.39Å; P186-L189 HydrophobicContact CG-CD1 4.32Å; P186-L189 HydrophobicContact CG-CD2 4.13Å; P186-L189 HydrophobicContact CG-CG 4.31Å; P186-L189 WeakPolarHBondContact O-CD1 3.2Å; P186-L189 WeakPolarHBondContact O-CG 3.28Å
187	P	93.3	Very high	97.9	Very high	73 Å²	73	33.2 Å²	33.2	47%	0.474	20%	0.202	S	C	.	.	S	Bend	trans	-70.2	170.3	174.8	31.4	-36.8	0	0	0	111.9	L189	P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.22Å
188	N	94.8	Very high	97.9	Very high	66 Å²	66	33.1 Å²	33.1	35%	0.353	20%	0.2	S	C	.	.	S	Bend	trans	60.5	33	174.5	-54.3	-3.9	0	0	0	114.3	P84 R603	P84-N188 HydrophobicContact CB-CB 4.2Å; N188-R603 PolarHBondContact ND2-NH1 3.38Å; N188-R603 PolarHBondContact ND2-NH2 2.9Å
189	L	98.6	Very high	97.9	Very high	5 Å²	5	33 Å²	33	3%	0.026	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-73	143.6	170.8	-70.7	172.7	0	0	0	111	P84 I85 L111 A113 Y129 L185 P186 P187	P84-L189 WeakPolarHBondContact CA-O 3.47Å; I85-L189 WeakPolarHBondContact CG1-O 3.31Å; I85-L189 PolarHBondContact N-O 3.45Å; L111-L189 HydrophobicContact CB-CB 4.21Å; L111-L189 HydrophobicContact CB-CD1 4.12Å; L111-L189 HydrophobicContact CB-CD2 4.47Å; L111-L189 HydrophobicContact CD1-CD1 3.81Å; L111-L189 HydrophobicContact CD2-CB 4.49Å; A113-L189 HydrophobicContact CB-CD2 4.27Å; Y129-L189 HydrophobicContact CD2-CD1 4.09Å; Y129-L189 HydrophobicContact CD2-CD2 4.22Å; Y129-L189 HydrophobicContact CE2-CD1 4.07Å; Y129-L189 HydrophobicContact CE2-CD2 4.03Å; L185-L189 HydrophobicContact CB-CD1 4.12Å; L185-L189 HydrophobicContact CD1-CD1 4.44Å; L185-L189 HydrophobicContact CD2-CD1 4.09Å; L185-L189 HydrophobicContact CG-CD1 4.46Å; P186-L189 HydrophobicContact CG-CD1 4.32Å; P186-L189 HydrophobicContact CG-CD2 4.13Å; P186-L189 HydrophobicContact CG-CG 4.31Å; P186-L189 WeakPolarHBondContact O-CD1 3.2Å; P186-L189 WeakPolarHBondContact O-CG 3.28Å; P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.22Å
190	Y	98.9	Very high	97.9	Very high	25 Å²	25	31.3 Å²	31.3	10%	0.098	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.7	173.7	-67.8	-112.5	0	0	0	108.9	R80 A81 H83 P84 L111 S112 Q114 T192	R80-Y190 HydrophobicContact CB-CD1 4.18Å; R80-Y190 HydrophobicContact CB-CG 4.3Å; R80-Y190 HydrophobicContact CG-CG 4.2Å; A81-Y190 WeakPolarHBondContact O-CD1 3.34Å; H83-Y190 VanDerWaalsContact O-CD1 3.26Å; H83-Y190 WeakPolarHBondContact O-CD1 3.43Å; P84-Y190 HydrophobicContact CB-CD2 3.96Å; P84-Y190 HydrophobicContact CB-CE1 4.34Å; P84-Y190 HydrophobicContact CB-CE2 3.67Å; P84-Y190 HydrophobicContact CB-CG 4.37Å; P84-Y190 HydrophobicContact CG-CE2 4.26Å; P84-Y190 VanDerWaalsContact N-CE1 3.31Å; L111-Y190 VanDerWaalsContact CA-O 3.31Å; L111-Y190 WeakPolarHBondContact CA-O 3.49Å; S112-Y190 PolarHBondContact N-O 3.39Å; S112-Y190 PolarHBondContact O-N 2.79Å; Q114-Y190 HydrophobicContact CB-CE2 3.85Å; Q114-Y190 HydrophobicContact CG-CE2 4.38Å; Y190-T192 PolarHBondContact O-N 3.44Å; Y190-T192 PolarHBondContact O-OG1 2.89Å
191	P	98.9	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50	135.6	158.8	-23.3	34.3	0	0	0	109.2	P43 W46 R80 A81 I85 Y92 F94 F206	P43-P191 HydrophobicContact CB-CG 4.13Å; P43-P191 HydrophobicContact CG-CG 4.1Å; W46-P191 HydrophobicContact CH2-CB 4.32Å; W46-P191 HydrophobicContact CZ3-CB 4.31Å; W46-P191 WeakPolarHBondContact CZ3-O 3.27Å; R80-P191 WeakPolarHBondContact CA-O 3.29Å; A81-P191 HydrophobicContact CB-CB 4.06Å; A81-P191 HydrophobicContact CB-CG 4.09Å; A81-P191 PolarHBondContact N-O 3.35Å; I85-P191 HydrophobicContact CD1-CG 4.44Å; I85-P191 HydrophobicContact CG1-CG 4.27Å; Y92-P191 HydrophobicContact CE1-CG 3.93Å; F94-P191 HydrophobicContact CD1-CB 4.08Å; F94-P191 HydrophobicContact CD1-CG 4.2Å; F94-P191 HydrophobicContact CD2-CB 4.36Å; F94-P191 HydrophobicContact CE1-CB 3.72Å; F94-P191 HydrophobicContact CE1-CG 4.15Å; F94-P191 HydrophobicContact CE2-CB 4.05Å; F94-P191 HydrophobicContact CG-CB 4.38Å; F94-P191 HydrophobicContact CZ-CB 3.71Å; P191-F206 HydrophobicContact CB-CE1 3.78Å; P191-F206 HydrophobicContact CG-CE1 4.05Å
192	T	98.9	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.8	-176.4	-48.7	0	0	0	0	109.8	V79 R80 G110 S112 M118 P122 Y190	V79-T192 WeakPolarHBondContact O-CA 3.45Å; V79-T192 WeakPolarHBondContact O-CG2 3.42Å; R80-T192 HydrophobicContact CG-CG2 4.33Å; G110-T192 CarbonylContact C-O 3.56Å; G110-T192 PolarHBondContact N-O 3Å; G110-T192 PolarHBondContact O-N 3.21Å; S112-T192 WeakPolarHBondContact CB-OG1 3.46Å; S112-T192 PolarHBondContact N-OG1 3.25Å; S112-T192 VanDerWaalsContact N-OG1 3.12Å; S112-T192 PolarHBondContact OG-OG1 3.49Å; M118-T192 HydrophobicContact CE-CG2 4.21Å; P122-T192 HydrophobicContact CG-CG2 3.87Å; Y190-T192 PolarHBondContact O-N 3.44Å; Y190-T192 PolarHBondContact O-OG1 2.89Å
193	V	98.9	Very high	98	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145	164	-66.4	0	0	0	0	110	W46 V64 S78 V79 V96 G108 I109 V202	W46-V193 HydrophobicContact CD2-CG2 4.39Å; W46-V193 HydrophobicContact CH2-CB 4.25Å; W46-V193 HydrophobicContact CH2-CG1 3.71Å; W46-V193 HydrophobicContact CH2-CG2 3.87Å; W46-V193 HydrophobicContact CZ2-CB 4.29Å; W46-V193 HydrophobicContact CZ2-CG1 3.69Å; W46-V193 HydrophobicContact CZ2-CG2 3.66Å; W46-V193 HydrophobicContact CZ3-CG2 4.27Å; V64-V193 HydrophobicContact CB-CG2 4.3Å; V64-V193 HydrophobicContact CG1-CG2 4.2Å; V64-V193 HydrophobicContact CG2-CG2 3.8Å; S78-V193 CarbonylContact C-O 3.51Å; S78-V193 VanDerWaalsContact CA-O 3.22Å; S78-V193 WeakPolarHBondContact CA-O 3.32Å; S78-V193 WeakPolarHBondContact CB-O 3.26Å; V79-V193 HydrophobicContact CG1-CG2 3.69Å; V79-V193 PolarHBondContact N-O 3.18Å; V79-V193 PolarHBondContact O-N 2.85Å; V96-V193 HydrophobicContact CG1-CG1 4.2Å; V96-V193 HydrophobicContact CG2-CG1 3.88Å; G108-V193 CarbonylContact O-C 3.54Å; G108-V193 WeakPolarHBondContact O-CA 3.47Å; I109-V193 HydrophobicContact CG1-CG1 4.15Å; I109-V193 HydrophobicContact CG2-CG1 4.37Å; V193-V202 HydrophobicContact CB-CG2 4.5Å; V193-V202 HydrophobicContact CG2-CG2 4.23Å
194	G	98.8	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.1	173	0	0	0	0	0	111.8	A77 S78 M107 G108	A77-G194 CarbonylContact O-C 3.53Å; A77-G194 VanDerWaalsContact O-CA 3.23Å; A77-G194 WeakPolarHBondContact O-CA 3.48Å; S78-G194 VanDerWaalsContact OG-CA 3.26Å; S78-G194 WeakPolarHBondContact OG-CA 3.35Å; M107-G194 CarbonylContact C-O 3.49Å; M107-G194 WeakPolarHBondContact CA-O 3.35Å; G108-G194 PolarHBondContact N-O 2.91Å; G108-G194 PolarHBondContact O-N 2.89Å
195	L	98.9	Very high	98.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.8	179.1	-50.6	177.6	0	0	0	108.5	I55 V64 Y66 A77 M107 E200 V202	I55-L195 HydrophobicContact CD1-CB 4.31Å; I55-L195 HydrophobicContact CD1-CD1 4.27Å; I55-L195 HydrophobicContact CD1-CG 4.35Å; V64-L195 HydrophobicContact CB-CD1 4.44Å; V64-L195 HydrophobicContact CG1-CD1 3.81Å; V64-L195 HydrophobicContact CG1-CG 4.49Å; Y66-L195 HydrophobicContact CD2-CB 3.9Å; Y66-L195 HydrophobicContact CG-CB 4.28Å; A77-L195 PolarHBondContact N-O 2.86Å; A77-L195 PolarHBondContact O-N 3.45Å; A77-L195 VanDerWaalsContact O-O 3.11Å; M107-L195 HydrophobicContact CB-CD2 4.15Å; M107-L195 HydrophobicContact CG-CD2 3.8Å; L195-E200 WeakPolarHBondContact CA-OE2 3.32Å; L195-E200 HydrophobicContact CB-CB 4.26Å; L195-E200 WeakPolarHBondContact CB-OE2 3.34Å; L195-E200 HydrophobicContact CD1-CB 4.28Å; L195-E200 HydrophobicContact CD2-CB 4.22Å; L195-E200 HydrophobicContact CG-CB 4.49Å; L195-V202 HydrophobicContact CD2-CG1 4.09Å; L195-V202 HydrophobicContact CD2-CG2 4.27Å
196	Q	98.6	Very high	98.2	Very high	15 Å²	15	20.9 Å²	20.9	7%	0.07	13%	0.128	C	C	.	.			trans	-140.4	-19.1	-175.3	176.7	174.9	-67	0	0	114.3	Y66 G70 A76 Y106 L121 E200	Y66-Q196 WeakPolarHBondContact CE1-O 3.48Å; Y66-Q196 PolarHBondContact OH-O 2.8Å; G70-Q196 WeakPolarHBondContact CA-O 3.36Å; A76-Q196 HydrophobicContact CB-CB 4.4Å; A76-Q196 HydrophobicContact CB-CG 4.39Å; Y106-Q196 HydrophobicContact CD2-CG 4.43Å; Y106-Q196 PolarHBondContact O-N 3.18Å; L121-Q196 HydrophobicContact CD2-CB 4.37Å; Q196-E200 PolarHBondContact N-OE2 3.07Å
197	T	98.6	Very high	98.3	Very high	1 Å²	1	19 Å²	19	1%	0.006	12%	0.117	C	C	.	.	S	Bend	trans	-124.8	149.9	-175	83.8	0	0	0	0	115.2	Y66 D104 Y106 G199 E200	Y66-T197 VanDerWaalsContact CD1-O 3.28Å; Y66-T197 WeakPolarHBondContact CD1-O 3.43Å; D104-T197 HydrophobicContact CB-CG2 3.95Å; D104-T197 PolarHBondContact N-OG1 2.95Å; D104-T197 WeakPolarHBondContact OD2-CG2 3.48Å; Y106-T197 HydrophobicContact CD2-CG2 3.37Å; Y106-T197 HydrophobicContact CE2-CG2 4.13Å; Y106-T197 HydrophobicContact CG-CG2 4.18Å; T197-G199 PolarHBondContact O-N 3.37Å; T197-E200 VanDerWaalsContact CB-OE1 3.31Å; T197-E200 WeakPolarHBondContact CB-OE1 3.31Å; T197-E200 WeakPolarHBondContact CG2-OE1 3.36Å; T197-E200 VanDerWaalsContact N-CD 3.27Å; T197-E200 PolarHBondContact N-OE1 2.97Å; T197-E200 PolarHBondContact N-OE2 3.34Å; T197-E200 WeakPolarHBondContact O-CB 3.44Å; T197-E200 WeakPolarHBondContact O-CG 3.36Å; T197-E200 PolarHBondContact O-N 2.99Å; T197-E200 VanDerWaalsContact OG1-CD 3.26Å; T197-E200 PolarHBondContact OG1-OE1 3.45Å
198	P	98.6	Very high	98.5	Very high	54 Å²	54	16.3 Å²	16.3	35%	0.351	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	136.1	-178.1	-26.8	36.8	0	0	0	113	G102 R103 E200	G102-P198 WeakPolarHBondContact CA-O 3.48Å; R103-P198 PolarHBondContact N-O 3.22Å; R103-P198 VanDerWaalsContact N-O 3.09Å; P198-E200 VanDerWaalsContact C-N 3.34Å
199	G	98.4	Very high	98.5	Very high	39 Å²	39	18.1 Å²	18.1	40%	0.402	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	0.1	179.5	0	0	0	0	0	115	S100 G102 T197 I201	S100-G199 VanDerWaalsContact CB-O 3.31Å; S100-G199 WeakPolarHBondContact CB-O 3.5Å; S100-G199 PolarHBondContact OG-O 3.09Å; G102-G199 VanDerWaalsContact CA-O 3.27Å; G102-G199 WeakPolarHBondContact CA-O 3.25Å; G102-G199 PolarHBondContact N-O 3.27Å; T197-G199 PolarHBondContact O-N 3.37Å; G199-I201 PolarHBondContact O-N 3.01Å
200	E	98.9	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.3	170.3	-76	166.4	-168.7	0	0	110.5	H65 Y66 S100 K101 G105 Y106 M107 L195 Q196 T197 P198	H65-E200 WeakPolarHBondContact CA-O 3.3Å; Y66-E200 PolarHBondContact N-O 2.85Å; S100-E200 WeakPolarHBondContact O-CA 3.38Å; K101-E200 VanDerWaalsContact O-CG 3.27Å; K101-E200 WeakPolarHBondContact O-CG 3.48Å; G105-E200 WeakPolarHBondContact CA-OE1 3.38Å; G105-E200 PolarHBondContact N-OE1 3.49Å; Y106-E200 PolarHBondContact N-OE1 3.15Å; M107-E200 HydrophobicContact CG-CB 4.41Å; M107-E200 HydrophobicContact CG-CG 3.95Å; M107-E200 HydrophobicContact SD-CG 4.18Å; L195-E200 WeakPolarHBondContact CA-OE2 3.32Å; L195-E200 HydrophobicContact CB-CB 4.26Å; L195-E200 WeakPolarHBondContact CB-OE2 3.34Å; L195-E200 HydrophobicContact CD1-CB 4.28Å; L195-E200 HydrophobicContact CD2-CB 4.22Å; L195-E200 HydrophobicContact CG-CB 4.49Å; Q196-E200 PolarHBondContact N-OE2 3.07Å; T197-E200 VanDerWaalsContact CB-OE1 3.31Å; T197-E200 WeakPolarHBondContact CB-OE1 3.31Å; T197-E200 WeakPolarHBondContact CG2-OE1 3.36Å; T197-E200 VanDerWaalsContact N-CD 3.27Å; T197-E200 PolarHBondContact N-OE1 2.97Å; T197-E200 PolarHBondContact N-OE2 3.34Å; T197-E200 WeakPolarHBondContact O-CB 3.44Å; T197-E200 WeakPolarHBondContact O-CG 3.36Å; T197-E200 PolarHBondContact O-N 2.99Å; T197-E200 VanDerWaalsContact OG1-CD 3.26Å; T197-E200 PolarHBondContact OG1-OE1 3.45Å; P198-E200 VanDerWaalsContact C-N 3.34Å
201	I	98.9	Very high	98.5	Very high	48 Å²	48	22.5 Å²	22.5	25%	0.246	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	130.3	-178.8	-52.1	177	0	0	0	108.9	R63 V64 H65 V99 S100 G199	R63-I201 HydrophobicContact CG-CG2 3.8Å; V64-I201 WeakPolarHBondContact O-CA 3.37Å; H65-I201 HydrophobicContact CB-CG1 4.05Å; H65-I201 HydrophobicContact CB-CG2 4.47Å; V99-I201 HydrophobicContact CB-CB 4.06Å; V99-I201 HydrophobicContact CB-CG2 3.84Å; V99-I201 WeakPolarHBondContact CB-O 3.33Å; V99-I201 HydrophobicContact CG1-CB 4.41Å; V99-I201 HydrophobicContact CG1-CG2 4.08Å; V99-I201 HydrophobicContact CG2-CG2 4.26Å; V99-I201 PolarHBondContact N-O 3.19Å; S100-I201 PolarHBondContact N-O 3.2Å; S100-I201 PolarHBondContact O-N 3.45Å; G199-I201 PolarHBondContact O-N 3.01Å
202	V	98.9	Very high	98.5	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.6	175.5	-57	0	0	0	0	111.3	V64 V96 K97 I98 M107 V193 L195	V64-V202 HydrophobicContact CB-CG2 3.88Å; V64-V202 HydrophobicContact CG2-CG2 4.34Å; V64-V202 PolarHBondContact N-O 3.39Å; V64-V202 PolarHBondContact O-N 3.09Å; V96-V202 HydrophobicContact CG1-CB 3.65Å; V96-V202 HydrophobicContact CG1-CG1 4.21Å; V96-V202 HydrophobicContact CG1-CG2 3.93Å; K97-V202 CarbonylContact O-C 3.5Å; K97-V202 VanDerWaalsContact O-CA 3.24Å; K97-V202 WeakPolarHBondContact O-CA 3.37Å; I98-V202 HydrophobicContact CD1-CG1 3.74Å; M107-V202 HydrophobicContact SD-CG1 4.18Å; V193-V202 HydrophobicContact CB-CG2 4.5Å; V193-V202 HydrophobicContact CG2-CG2 4.23Å; L195-V202 HydrophobicContact CD2-CG1 4.09Å; L195-V202 HydrophobicContact CD2-CG2 4.27Å
203	D	98.9	Very high	98.5	Very high	39 Å²	39	27.6 Å²	27.6	21%	0.209	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.9	174.1	-69.7	-21	0	0	0	110.1	R63 V96 K97 V99	R63-D203 WeakPolarHBondContact CA-OD1 3.42Å; R63-D203 WeakPolarHBondContact CB-OD1 3.35Å; R63-D203 WeakPolarHBondContact CG-OD1 3.49Å; R63-D203 IonicContact CZ-OD1 2.69Å; R63-D203 IonicContact CZ-OD2 3.22Å; R63-D203 IonicContact NE-OD1 3.79Å; R63-D203 PolarHBondContact NE-OD1 3.07Å; R63-D203 IonicContact NE-OD2 3.35Å; R63-D203 PolarHBondContact NE-OD2 3.45Å; R63-D203 IonicContact NH2-OD1 3.6Å; R63-D203 IonicContact NH2-OD2 2.85Å; R63-D203 PolarHBondContact NH2-OD2 2.9Å; V96-D203 CarbonylContact C-O 3.43Å; V96-D203 VanDerWaalsContact CA-O 3.31Å; V96-D203 WeakPolarHBondContact CA-O 3.37Å; K97-D203 HydrophobicContact CB-CB 4.33Å; K97-D203 PolarHBondContact N-O 3.08Å; K97-D203 PolarHBondContact O-N 3.34Å; V99-D203 HydrophobicContact CG2-CB 4.1Å; V99-D203 VanDerWaalsContact CG2-CG 3.43Å; V99-D203 VanDerWaalsContact CG2-OD2 3.25Å; V99-D203 WeakPolarHBondContact CG2-OD2 3.37Å
204	A	98.8	Very high	98.4	Very high	9 Å²	9	32.4 Å²	32.4	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.5	173.1	0	0	0	0	0	112.7	W46 L62 E95 F206	W46-A204 HydrophobicContact CZ2-CB 3.61Å; L62-A204 PolarHBondContact O-N 2.93Å; E95-A204 CarbonylContact O-C 3.59Å; E95-A204 WeakPolarHBondContact O-CA 3.33Å; A204-F206 HydrophobicContact CB-CD2 4.03Å; A204-F206 HydrophobicContact CB-CE2 3.51Å; A204-F206 HydrophobicContact CB-CZ 3.83Å
205	N	98.8	Very high	98.4	Very high	21 Å²	21	32.6 Å²	32.6	11%	0.112	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.4	161.3	-177.8	16.7	0	0	0	108	F94 E95 G207 Q208 Q209 P210 F211	F94-N205 WeakPolarHBondContact CA-O 3.19Å; E95-N205 HydrophobicContact CB-CB 4.34Å; E95-N205 PolarHBondContact N-O 3.13Å; E95-N205 PolarHBondContact O-N 2.93Å; N205-G207 VanDerWaalsContact C-N 3.32Å; N205-G207 WeakPolarHBondContact OD1-CA 3.36Å; N205-G207 PolarHBondContact OD1-N 3.26Å; N205-Q208 PolarHBondContact OD1-N 3.36Å; N205-Q209 PolarHBondContact ND2-O 3.17Å; N205-Q209 PolarHBondContact OD1-N 2.92Å; N205-Q209 PolarHBondContact OD1-O 3.29Å; N205-P210 PolarHBondContact ND2-O 2.98Å; N205-F211 HydrophobicContact CB-CE1 4.37Å; N205-F211 WeakPolarHBondContact ND2-CD1 3.4Å; N205-F211 WeakPolarHBondContact O-CE1 3.43Å
206	F	98.7	Very high	98.3	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.201	C	C	.	.	S	Bend	trans	-94.9	13.8	172.2	-63.7	-70.5	0	0	0	112	L28 P43 R44 W46 L62 A81 Y92 F94 P191 A204	L28-F206 WeakPolarHBondContact CD2-O 3.47Å; P43-F206 WeakPolarHBondContact O-CB 3.27Å; R44-F206 WeakPolarHBondContact O-CD2 3.41Å; W46-F206 HydrophobicContact CD2-CE2 4.32Å; W46-F206 AromaticContact CD2-CZ 3.98Å; W46-F206 HydrophobicContact CD2-CZ 3.98Å; W46-F206 AromaticContact CE2-CZ 3.77Å; W46-F206 HydrophobicContact CE3-CZ 4.08Å; W46-F206 HydrophobicContact CH2-CE1 4.34Å; W46-F206 AromaticContact CH2-CZ 3.78Å; W46-F206 HydrophobicContact CH2-CZ 3.78Å; W46-F206 HydrophobicContact CZ2-CE2 4.39Å; W46-F206 AromaticContact CZ2-CZ 3.7Å; W46-F206 HydrophobicContact CZ2-CZ 3.7Å; W46-F206 AromaticContact CZ3-CZ 3.99Å; W46-F206 HydrophobicContact CZ3-CZ 3.99Å; L62-F206 HydrophobicContact CD2-CD2 3.92Å; L62-F206 HydrophobicContact CD2-CE2 4.26Å; A81-F206 HydrophobicContact CB-CE1 4.3Å; A81-F206 HydrophobicContact CB-CZ 4.17Å; Y92-F206 WeakPolarHBondContact OH-CD1 3.44Å; F94-F206 HydrophobicContact CB-CD1 3.84Å; F94-F206 HydrophobicContact CB-CE1 4.27Å; F94-F206 HydrophobicContact CD2-CE1 4.13Å; F94-F206 HydrophobicContact CG-CD1 4.34Å; F94-F206 HydrophobicContact CG-CE1 4.27Å; P191-F206 HydrophobicContact CB-CE1 3.78Å; P191-F206 HydrophobicContact CG-CE1 4.05Å; A204-F206 HydrophobicContact CB-CD2 4.03Å; A204-F206 HydrophobicContact CB-CE2 3.51Å; A204-F206 HydrophobicContact CB-CZ 3.83Å
207	G	97.9	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	112.4	7.2	-171.1	0	0	0	0	0	113.9	L24 R27 N205 Q209	L24-G207 VanDerWaalsContact CD1-C 3.44Å; L24-G207 WeakPolarHBondContact CD1-O 3.19Å; R27-G207 WeakPolarHBondContact CD-O 3.23Å; R27-G207 PolarHBondContact NH1-O 3.47Å; N205-G207 VanDerWaalsContact C-N 3.32Å; N205-G207 WeakPolarHBondContact OD1-CA 3.36Å; N205-G207 PolarHBondContact OD1-N 3.26Å; G207-Q209 PolarHBondContact O-N 2.89Å
208	Q	96.9	Very high	98.1	Very high	15 Å²	15	42 Å²	42	7%	0.07	23%	0.234	C	C	.	.	S	Bend	trans	-63.8	-33	172.2	-72.3	78.5	16.9	0	0	112.1	F16 L24 R27 R44 L62 N205	F16-Q208 HydrophobicContact CZ-CG 4.11Å; L24-Q208 HydrophobicContact CD1-CG 4.16Å; L24-Q208 HydrophobicContact CD2-CG 4.34Å; R27-Q208 PolarHBondContact NH1-O 2.76Å; R44-Q208 PolarHBondContact O-NE2 3.1Å; L62-Q208 HydrophobicContact CD1-CG 3.95Å; N205-Q208 PolarHBondContact OD1-N 3.36Å
209	Q	96.6	Very high	98	Very high	105 Å²	105	39.6 Å²	39.6	49%	0.491	22%	0.218	S	C	.	.	S	Bend	trans	-126.2	161.3	-179.4	-64.8	-63.7	-71.8	0	0	109.7	N205 G207	N205-Q209 PolarHBondContact ND2-O 3.17Å; N205-Q209 PolarHBondContact OD1-N 2.92Å; N205-Q209 PolarHBondContact OD1-O 3.29Å; G207-Q209 PolarHBondContact O-N 2.89Å
210	P	97.9	Very high	97.7	Very high	90 Å²	90	39.9 Å²	39.9	58%	0.584	21%	0.214	S	C	*	.			trans	-51.9	142.2	165.9	-23.9	34.7	0	0	0	111	N205	N205-P210 PolarHBondContact ND2-O 2.98Å
211	F	98.7	Very high	97.4	Very high	31 Å²	31	45.9 Å²	45.9	14%	0.136	24%	0.242	C	C	.	.			trans	-79.9	156.4	175.5	-68.1	-61.9	0	0	0	111.2	L31 Y93 E95 N205 F213 I215	L31-F211 HydrophobicContact CD1-CE2 3.79Å; Y93-F211 HydrophobicContact CD1-CB 4.32Å; Y93-F211 AromaticContact CD1-CD1 3.73Å; Y93-F211 HydrophobicContact CD1-CD1 3.73Å; Y93-F211 AromaticContact CD1-CD2 3.79Å; Y93-F211 HydrophobicContact CD1-CD2 3.79Å; Y93-F211 AromaticContact CD1-CE1 3.87Å; Y93-F211 HydrophobicContact CD1-CE1 3.87Å; Y93-F211 AromaticContact CD1-CE2 3.93Å; Y93-F211 HydrophobicContact CD1-CE2 3.93Å; Y93-F211 AromaticContact CD1-CG 3.68Å; Y93-F211 HydrophobicContact CD1-CG 3.68Å; Y93-F211 AromaticContact CD1-CZ 3.96Å; Y93-F211 HydrophobicContact CD1-CZ 3.96Å; Y93-F211 HydrophobicContact CE1-CB 3.87Å; Y93-F211 AromaticContact CE1-CD1 3.65Å; Y93-F211 HydrophobicContact CE1-CD1 3.65Å; Y93-F211 HydrophobicContact CE1-CD2 4.23Å; Y93-F211 HydrophobicContact CE1-CE1 4.19Å; Y93-F211 AromaticContact CE1-CG 3.66Å; Y93-F211 HydrophobicContact CE1-CG 3.66Å; E95-F211 HydrophobicContact CB-CD1 4.1Å; E95-F211 HydrophobicContact CB-CE1 4.41Å; E95-F211 HydrophobicContact CG-CD1 3.79Å; E95-F211 HydrophobicContact CG-CE1 4.4Å; E95-F211 WeakPolarHBondContact OE2-CA 3.31Å; N205-F211 HydrophobicContact CB-CE1 4.37Å; N205-F211 WeakPolarHBondContact ND2-CD1 3.4Å; N205-F211 WeakPolarHBondContact O-CE1 3.43Å; F211-F213 WeakPolarHBondContact CB-O 3.49Å; F211-I215 HydrophobicContact CD2-CG2 3.69Å; F211-I215 HydrophobicContact CE2-CG2 4.25Å
212	V	98.7	Very high	97.1	Very high	81 Å²	81	45.1 Å²	45.1	49%	0.491	24%	0.236	S	C	.	.	S	Bend	trans	-79.4	-33.1	172.8	-174.6	0	0	0	0	111	E95 V157	E95-V212 PolarHBondContact OE1-N 2.96Å; E95-V212 PolarHBondContact OE2-N 3.17Å; V157-V212 HydrophobicContact CB-CG2 4.29Å; V157-V212 HydrophobicContact CG1-CB 4.43Å; V157-V212 HydrophobicContact CG1-CG2 4.02Å; V157-V212 HydrophobicContact CG2-CG2 4.13Å
213	F	98.7	Very high	96.8	Very high	27 Å²	27	49.6 Å²	49.6	12%	0.118	25%	0.253	C	S	.	.	S	Bend	trans	-82.4	139.2	168.9	-178.6	-116	0	0	0	111.5	Y93 E95 F170 T172 G175 F211 I215 Y218	Y93-F213 HydrophobicContact CE1-CB 4Å; Y93-F213 HydrophobicContact CE1-CD1 4.27Å; Y93-F213 HydrophobicContact CE2-CD1 4.07Å; Y93-F213 AromaticContact CZ-CD1 3.88Å; Y93-F213 WeakPolarHBondContact OH-CB 3.42Å; E95-F213 PolarHBondContact OE1-N 3.2Å; F170-F213 HydrophobicContact CE2-CE1 4.2Å; F170-F213 HydrophobicContact CE2-CZ 4.09Å; F170-F213 HydrophobicContact CZ-CE1 4.15Å; F170-F213 HydrophobicContact CZ-CZ 4.21Å; T172-F213 HydrophobicContact CG2-CB 4.16Å; T172-F213 HydrophobicContact CG2-CD1 4.04Å; T172-F213 HydrophobicContact CG2-CD2 3.83Å; T172-F213 HydrophobicContact CG2-CE1 4.4Å; T172-F213 HydrophobicContact CG2-CE2 4.2Å; T172-F213 HydrophobicContact CG2-CG 3.75Å; T172-F213 HydrophobicContact CG2-CZ 4.47Å; G175-F213 WeakPolarHBondContact O-CD2 3.17Å; F211-F213 WeakPolarHBondContact CB-O 3.49Å; F213-I215 VanDerWaalsContact C-N 3.27Å; F213-I215 HydrophobicContact CD1-CB 4.11Å; F213-I215 HydrophobicContact CD1-CD1 4.28Å; F213-I215 HydrophobicContact CE1-CB 4.48Å; F213-I215 HydrophobicContact CE1-CD1 4.06Å; F213-I215 PolarHBondContact O-N 3.23Å; F213-Y218 HydrophobicContact CE1-CG 4.38Å; F213-Y218 HydrophobicContact CZ-CG 4.39Å
214	D	98.2	Very high	96.4	Very high	102 Å²	102	50.9 Å²	50.9	55%	0.545	27%	0.269	S	S	.	.			trans	-76.4	81.3	170.5	-161.9	-24.1	0	0	0	110.7	E216 D217 Y218	D214-E216 PolarHBondContact O-N 2.9Å; D214-E216 PolarHBondContact OD1-N 2.93Å; D214-E216 VanDerWaalsContact OD1-N 3.16Å; D214-D217 HydrophobicContact CB-CB 4.25Å; D214-D217 PolarHBondContact OD1-N 3.44Å; D214-Y218 PolarHBondContact O-N 3.46Å
215	I	98.2	Very high	96.1	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-24.1	175.8	-171.9	60.6	0	0	0	112.2	L31 I91 Y93 F211 F213 Y218 M219	L31-I215 HydrophobicContact CD2-CG2 3.86Å; I91-I215 HydrophobicContact CG2-CD1 4.1Å; Y93-I215 HydrophobicContact CD1-CB 3.96Å; Y93-I215 HydrophobicContact CD1-CD1 4.43Å; Y93-I215 HydrophobicContact CD1-CG1 4.12Å; Y93-I215 HydrophobicContact CD1-CG2 4.28Å; Y93-I215 HydrophobicContact CD2-CD1 4.17Å; Y93-I215 HydrophobicContact CG-CB 4.25Å; Y93-I215 HydrophobicContact CG-CD1 3.86Å; Y93-I215 HydrophobicContact CG-CG1 3.93Å; F211-I215 HydrophobicContact CD2-CG2 3.69Å; F211-I215 HydrophobicContact CE2-CG2 4.25Å; F213-I215 VanDerWaalsContact C-N 3.27Å; F213-I215 HydrophobicContact CD1-CB 4.11Å; F213-I215 HydrophobicContact CD1-CD1 4.28Å; F213-I215 HydrophobicContact CE1-CB 4.48Å; F213-I215 HydrophobicContact CE1-CD1 4.06Å; F213-I215 PolarHBondContact O-N 3.23Å; I215-Y218 HydrophobicContact CD1-CD1 4.09Å; I215-M219 HydrophobicContact CD1-CE 4.38Å; I215-M219 HydrophobicContact CD1-CG 4.49Å; I215-M219 HydrophobicContact CG1-CE 3.84Å; I215-M219 HydrophobicContact CG1-CG 4.31Å; I215-M219 HydrophobicContact CG1-SD 4.19Å; I215-M219 WeakPolarHBondContact O-CB 3.28Å; I215-M219 VanDerWaalsContact O-CG 3.23Å; I215-M219 WeakPolarHBondContact O-CG 3.42Å; I215-M219 PolarHBondContact O-N 3.4Å
216	E	96.4	Very high	95.7	Very high	61 Å²	61	55 Å²	55	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-76	-38.2	-177	-66.2	-163.8	-169	0	0	111.8	R30 L31 D214 S220	R30-E216 WeakPolarHBondContact CD-OE1 3.48Å; R30-E216 IonicContact CZ-OE1 3.4Å; R30-E216 IonicContact CZ-OE2 3.66Å; R30-E216 VanDerWaalsContact NE-CD 3.28Å; R30-E216 IonicContact NE-OE1 3.4Å; R30-E216 PolarHBondContact NE-OE1 3.44Å; R30-E216 IonicContact NE-OE2 3.72Å; R30-E216 PolarHBondContact NE-OE2 3.03Å; R30-E216 IonicContact NH2-OE1 2.76Å; R30-E216 IonicContact NH2-OE2 2.75Å; R30-E216 PolarHBondContact NH2-OE2 3.32Å; L31-E216 HydrophobicContact CD2-CG 3.82Å; D214-E216 PolarHBondContact O-N 2.9Å; D214-E216 PolarHBondContact OD1-N 2.93Å; D214-E216 VanDerWaalsContact OD1-N 3.16Å; E216-S220 VanDerWaalsContact O-CB 3.31Å; E216-S220 WeakPolarHBondContact O-CB 3.45Å; E216-S220 PolarHBondContact O-N 3.42Å; E216-S220 PolarHBondContact O-OG 3.42Å
217	D	96.8	Very high	95.3	Very high	111 Å²	111	58.3 Å²	58.3	59%	0.594	30%	0.3	S	S	*	.	H	α-helix	trans	-60.6	-50.6	169.7	-175.7	60.5	0	0	0	111	D214 M219 S220 E221	D214-D217 HydrophobicContact CB-CB 4.25Å; D214-D217 PolarHBondContact OD1-N 3.44Å; D217-M219 PolarHBondContact O-N 3.42Å; D217-S220 WeakPolarHBondContact O-CA 3.37Å; D217-S220 WeakPolarHBondContact O-CB 3.33Å; D217-S220 PolarHBondContact O-N 2.87Å; D217-E221 PolarHBondContact O-N 2.79Å
218	Y	96.4	Very high	94.9	Very high	41 Å²	41	60 Å²	60	16%	0.161	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-42.5	176.9	-179.1	-101.9	0	0	0	113.1	I91 F170 F213 D214 I215 S220 W222	I91-Y218 HydrophobicContact CD1-CD1 4.16Å; I91-Y218 HydrophobicContact CD1-CE1 3.82Å; I91-Y218 HydrophobicContact CG2-CD1 4.29Å; I91-Y218 HydrophobicContact CG2-CE1 4.14Å; F170-Y218 HydrophobicContact CE1-CD1 4.35Å; F170-Y218 AromaticContact CE1-CE1 3.61Å; F170-Y218 HydrophobicContact CE1-CE1 3.61Å; F170-Y218 AromaticContact CE1-CE2 3.99Å; F170-Y218 HydrophobicContact CE1-CE2 3.99Å; F170-Y218 AromaticContact CE1-CZ 3.4Å; F170-Y218 VanDerWaalsContact CE1-CZ 3.4Å; F170-Y218 WeakPolarHBondContact CE1-OH 3.21Å; F170-Y218 HydrophobicContact CZ-CD1 4.14Å; F170-Y218 HydrophobicContact CZ-CD2 4.32Å; F170-Y218 AromaticContact CZ-CE1 3.87Å; F170-Y218 HydrophobicContact CZ-CE1 3.87Å; F170-Y218 HydrophobicContact CZ-CE2 4.05Å; F170-Y218 HydrophobicContact CZ-CG 4.36Å; F170-Y218 AromaticContact CZ-CZ 3.82Å; F213-Y218 HydrophobicContact CE1-CG 4.38Å; F213-Y218 HydrophobicContact CZ-CG 4.39Å; D214-Y218 PolarHBondContact O-N 3.46Å; I215-Y218 HydrophobicContact CD1-CD1 4.09Å; Y218-S220 PolarHBondContact O-N 3.2Å; Y218-W222 AromaticContact CE1-CD1 3.8Å; Y218-W222 AromaticContact CE1-NE1 3.86Å; Y218-W222 AromaticContact CE2-CD1 3.97Å; Y218-W222 AromaticContact CE2-NE1 3.7Å; Y218-W222 AromaticContact CZ-CD1 3.61Å; Y218-W222 AromaticContact CZ-NE1 3.26Å; Y218-W222 VanDerWaalsContact CZ-NE1 3.26Å; Y218-W222 PolarHBondContact O-N 2.84Å; Y218-W222 PolarHBondContact OH-NE1 3.07Å
219	M	95.8	Very high	94.6	Very high	4 Å²	4	64 Å²	64	2%	0.02	34%	0.337	C	S	.	.	H	α-helix	trans	-65	-29.2	173.1	-77.3	176.1	172.1	0	0	112.6	L31 Y32 I91 I215 D217 R223 F609	L31-M219 HydrophobicContact CD2-CE 4.35Å; L31-M219 HydrophobicContact CD2-SD 3.93Å; Y32-M219 HydrophobicContact CD1-CE 4.26Å; Y32-M219 HydrophobicContact CE1-CE 3.67Å; I91-M219 HydrophobicContact CB-CE 4.06Å; I91-M219 HydrophobicContact CB-CG 4.24Å; I91-M219 HydrophobicContact CD1-CG 4.27Å; I91-M219 HydrophobicContact CG2-CE 4.01Å; I91-M219 HydrophobicContact CG2-CG 4.28Å; I91-M219 WeakPolarHBondContact O-CE 3.46Å; I215-M219 HydrophobicContact CD1-CE 4.38Å; I215-M219 HydrophobicContact CD1-CG 4.49Å; I215-M219 HydrophobicContact CG1-CE 3.84Å; I215-M219 HydrophobicContact CG1-CG 4.31Å; I215-M219 HydrophobicContact CG1-SD 4.19Å; I215-M219 WeakPolarHBondContact O-CB 3.28Å; I215-M219 VanDerWaalsContact O-CG 3.23Å; I215-M219 WeakPolarHBondContact O-CG 3.42Å; I215-M219 PolarHBondContact O-N 3.4Å; D217-M219 PolarHBondContact O-N 3.42Å; M219-R223 WeakPolarHBondContact O-CB 3.3Å; M219-R223 PolarHBondContact O-N 3.23Å; M219-F609 HydrophobicContact CB-CE1 4.38Å
220	S	93.5	Very high	94.3	Very high	46 Å²	46	62.3 Å²	62.3	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-76.7	-36	-179.7	-60.6	0	0	0	0	112.4	E216 D217 Y218 R223 A224	E216-S220 VanDerWaalsContact O-CB 3.31Å; E216-S220 WeakPolarHBondContact O-CB 3.45Å; E216-S220 PolarHBondContact O-N 3.42Å; E216-S220 PolarHBondContact O-OG 3.42Å; D217-S220 WeakPolarHBondContact O-CA 3.37Å; D217-S220 WeakPolarHBondContact O-CB 3.33Å; D217-S220 PolarHBondContact O-N 2.87Å; Y218-S220 PolarHBondContact O-N 3.2Å; S220-R223 PolarHBondContact O-N 3.44Å; S220-R223 PolarHBondContact OG-NH1 2.68Å; S220-A224 WeakPolarHBondContact O-CB 3.47Å; S220-A224 PolarHBondContact O-N 3.41Å
221	E	92.9	Very high	93.8	Very high	126 Å²	126	62.7 Å²	62.7	59%	0.589	33%	0.331	S	S	*	.	H	α-helix	trans	-57.3	-49.1	167.8	-169.2	-164.1	163.2	0	0	110.8	D217 R223 A224 K225	D217-E221 PolarHBondContact O-N 2.79Å; E221-R223 PolarHBondContact O-N 2.69Å; E221-A224 PolarHBondContact O-N 3.22Å; E221-K225 PolarHBondContact O-N 2.79Å
222	W	92.3	Very high	93.4	Very high	31 Å²	31	65.6 Å²	65.6	12%	0.117	36%	0.355	C	S	.	.	H	α-helix	trans	-64.6	-39	177.2	-85.1	91.9	0	0	0	113.1	I91 N163 I165 Y218 A224 K225 I226	I91-W222 HydrophobicContact CD1-CB 3.7Å; I91-W222 HydrophobicContact CD1-CD2 4.39Å; I91-W222 HydrophobicContact CD1-CG 3.62Å; N163-W222 WeakPolarHBondContact ND2-CZ2 3.42Å; I165-W222 HydrophobicContact CB-CZ3 4.42Å; I165-W222 HydrophobicContact CD1-CD2 4.21Å; I165-W222 HydrophobicContact CD1-CE3 3.51Å; I165-W222 HydrophobicContact CD1-CZ3 3.98Å; I165-W222 HydrophobicContact CG2-CZ3 4.19Å; Y218-W222 AromaticContact CE1-CD1 3.8Å; Y218-W222 AromaticContact CE1-NE1 3.86Å; Y218-W222 AromaticContact CE2-CD1 3.97Å; Y218-W222 AromaticContact CE2-NE1 3.7Å; Y218-W222 AromaticContact CZ-CD1 3.61Å; Y218-W222 AromaticContact CZ-NE1 3.26Å; Y218-W222 VanDerWaalsContact CZ-NE1 3.26Å; Y218-W222 PolarHBondContact O-N 2.84Å; Y218-W222 PolarHBondContact OH-NE1 3.07Å; W222-A224 VanDerWaalsContact C-N 3.35Å; W222-A224 PolarHBondContact O-N 3.49Å; W222-K225 HydrophobicContact CE3-CD 4.48Å; W222-K225 HydrophobicContact CZ3-CD 4.43Å; W222-K225 PolarHBondContact O-N 3.47Å; W222-I226 WeakPolarHBondContact O-CG1 3.42Å; W222-I226 PolarHBondContact O-N 3.49Å
223	R	91	Very high	92.8	Very high	96 Å²	96	68.9 Å²	68.9	36%	0.362	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-46.5	173.5	-167.6	-177	-54	108	5.5	111.1	M219 S220 E221 I226 H227 F609	M219-R223 WeakPolarHBondContact O-CB 3.3Å; M219-R223 PolarHBondContact O-N 3.23Å; S220-R223 PolarHBondContact O-N 3.44Å; S220-R223 PolarHBondContact OG-NH1 2.68Å; E221-R223 PolarHBondContact O-N 2.69Å; R223-I226 PolarHBondContact O-N 2.83Å; R223-H227 VanDerWaalsContact O-CB 3.25Å; R223-H227 WeakPolarHBondContact O-CB 3.08Å; R223-H227 PolarHBondContact O-N 2.85Å; R223-F609 HydrophobicContact CB-CD1 3.7Å; R223-F609 HydrophobicContact CB-CE1 4.28Å; R223-F609 HydrophobicContact CG-CD1 3.96Å
224	A	91.8	Very high	92.1	Very high	66 Å²	66	72.5 Å²	72.5	55%	0.545	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-41.1	176.5	0	0	0	0	0	112	S220 E221 W222 H227 G228	S220-A224 WeakPolarHBondContact O-CB 3.47Å; S220-A224 PolarHBondContact O-N 3.41Å; E221-A224 PolarHBondContact O-N 3.22Å; W222-A224 VanDerWaalsContact C-N 3.35Å; W222-A224 PolarHBondContact O-N 3.49Å; A224-H227 PolarHBondContact O-N 2.88Å; A224-G228 PolarHBondContact O-N 3.39Å
225	K	91.8	Very high	91	Very high	110 Å²	110	72.7 Å²	72.7	48%	0.478	39%	0.389	S	S	.	.	H	α-helix	trans	-63.7	-47.3	176.2	-173.3	175.2	-177.9	174.5	0	112.7	E221 W222 G228 M229	E221-K225 PolarHBondContact O-N 2.79Å; W222-K225 HydrophobicContact CE3-CD 4.48Å; W222-K225 HydrophobicContact CZ3-CD 4.43Å; W222-K225 PolarHBondContact O-N 3.47Å; K225-G228 PolarHBondContact O-N 3.47Å; K225-M229 WeakPolarHBondContact O-CG 3.37Å; K225-M229 PolarHBondContact O-N 2.94Å; K225-M229 VanDerWaalsContact O-N 3.1Å
226	I	90.4	Very high	89.7	Confident	6 Å²	6	74.4 Å²	74.4	3%	0.031	41%	0.408	C	S	.	.	H	α-helix	trans	-62.9	-46.6	176.1	-64.4	-56	0	0	0	110.5	I165 W222 R223 G228 M229 I230 F609	I165-I226 HydrophobicContact CD1-CD1 4.35Å; I165-I226 HydrophobicContact CD1-CG1 4.39Å; I165-I226 HydrophobicContact CG2-CD1 4.32Å; W222-I226 WeakPolarHBondContact O-CG1 3.42Å; W222-I226 PolarHBondContact O-N 3.49Å; R223-I226 PolarHBondContact O-N 2.83Å; I226-G228 PolarHBondContact O-N 3.29Å; I226-M229 HydrophobicContact CD1-CE 3.47Å; I226-M229 VanDerWaalsContact CD1-CE 3.47Å; I226-M229 PolarHBondContact O-N 3.25Å; I226-I230 HydrophobicContact CG2-CD1 3.83Å; I226-I230 WeakPolarHBondContact O-CG1 3.38Å; I226-I230 PolarHBondContact O-N 3.04Å; I226-I230 VanDerWaalsContact O-N 3.07Å; I226-F609 HydrophobicContact CB-CB 3.95Å; I226-F609 HydrophobicContact CG1-CB 4.01Å; I226-F609 HydrophobicContact CG1-CD2 4.37Å; I226-F609 HydrophobicContact CG1-CG 4.47Å; I226-F609 HydrophobicContact CG2-CB 3.97Å
227	H	89.9	Confident	88	Confident	72 Å²	72	80.9 Å²	80.9	33%	0.333	44%	0.438	S	S	.	.	H	α-helix	trans	-58.9	-48.3	177.9	-174.2	-81.2	0	0	0	111.5	R223 A224 M229 I230 T231 F615	R223-H227 VanDerWaalsContact O-CB 3.25Å; R223-H227 WeakPolarHBondContact O-CB 3.08Å; R223-H227 PolarHBondContact O-N 2.85Å; A224-H227 PolarHBondContact O-N 2.88Å; H227-M229 VanDerWaalsContact C-N 3.34Å; H227-M229 PolarHBondContact O-N 3.39Å; H227-I230 WeakPolarHBondContact O-CB 3.23Å; H227-I230 PolarHBondContact O-N 3.41Å; H227-T231 PolarHBondContact CE1-OG1 3.23Å; H227-T231 PolarHBondContact ND1-OG1 3.44Å; H227-T231 PolarHBondContact O-N 3.35Å; H227-T231 PolarHBondContact O-OG1 3.02Å; H227-F615 AromaticContact CD2-CE1 3.32Å; H227-F615 WeakPolarHBondContact CD2-CE1 3.34Å; H227-F615 AromaticContact CD2-CZ 3.5Å; H227-F615 AromaticContact NE2-CD1 3.66Å; H227-F615 AromaticContact NE2-CE1 3.28Å; H227-F615 VanDerWaalsContact NE2-CE1 3.28Å; H227-F615 WeakPolarHBondContact NE2-CE1 3.21Å; H227-F615 AromaticContact NE2-CZ 3.96Å
228	G	91	Very high	86.1	Confident	35 Å²	35	86.8 Å²	86.8	36%	0.361	45%	0.453	S	S	.	.	H	α-helix	trans	-55.4	-45.4	176.4	0	0	0	0	0	113	A224 K225 I226 I230 T231 S232	A224-G228 PolarHBondContact O-N 3.39Å; K225-G228 PolarHBondContact O-N 3.47Å; I226-G228 PolarHBondContact O-N 3.29Å; G228-I230 VanDerWaalsContact C-N 3.32Å; G228-I230 PolarHBondContact O-N 2.67Å; G228-T231 PolarHBondContact O-N 2.97Å; G228-S232 WeakPolarHBondContact O-CB 3.48Å; G228-S232 PolarHBondContact O-N 3.42Å; G228-S232 PolarHBondContact O-OG 3.2Å; G228-S232 VanDerWaalsContact O-OG 3.09Å
229	M	90.4	Very high	84.1	Confident	98 Å²	98	88.6 Å²	88.6	48%	0.483	46%	0.464	S	S	.	.	H	α-helix	trans	-63.9	-33.1	175.9	-71.3	-171.3	-60	0	0	113.6	K225 I226 H227 F233	K225-M229 WeakPolarHBondContact O-CG 3.37Å; K225-M229 PolarHBondContact O-N 2.94Å; K225-M229 VanDerWaalsContact O-N 3.1Å; I226-M229 HydrophobicContact CD1-CE 3.47Å; I226-M229 VanDerWaalsContact CD1-CE 3.47Å; I226-M229 PolarHBondContact O-N 3.25Å; H227-M229 VanDerWaalsContact C-N 3.34Å; H227-M229 PolarHBondContact O-N 3.39Å; M229-F233 PolarHBondContact O-N 3.11Å
230	I	89.3	Confident	82.1	Confident	71 Å²	71	91.6 Å²	91.6	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-71.1	-49.1	175.4	-67.4	165.2	0	0	0	109.9	I226 H227 G228 S232 F233 A610 F615	I226-I230 HydrophobicContact CG2-CD1 3.83Å; I226-I230 WeakPolarHBondContact O-CG1 3.38Å; I226-I230 PolarHBondContact O-N 3.04Å; I226-I230 VanDerWaalsContact O-N 3.07Å; H227-I230 WeakPolarHBondContact O-CB 3.23Å; H227-I230 PolarHBondContact O-N 3.41Å; G228-I230 VanDerWaalsContact C-N 3.32Å; G228-I230 PolarHBondContact O-N 2.67Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3.27Å; I230-F233 VanDerWaalsContact O-CB 3.3Å; I230-F233 WeakPolarHBondContact O-CB 3.47Å; I230-F233 PolarHBondContact O-N 2.86Å; I230-F233 VanDerWaalsContact O-N 3.16Å; I230-A610 HydrophobicContact CD1-CB 3.96Å; I230-F615 HydrophobicContact CB-CE1 4.39Å; I230-F615 HydrophobicContact CB-CZ 4.21Å; I230-F615 HydrophobicContact CD1-CE2 4.47Å; I230-F615 HydrophobicContact CD1-CZ 3.87Å; I230-F615 HydrophobicContact CG2-CE1 3.84Å; I230-F615 HydrophobicContact CG2-CZ 3.83Å
231	T	88.3	Confident	80.7	Confident	97 Å²	97	96 Å²	96	60%	0.595	51%	0.512	S	S	*	.	H	α-helix	trans	-64.7	-34.5	180	-46.3	0	0	0	0	112.4	H227 G228 F233	H227-T231 PolarHBondContact CE1-OG1 3.23Å; H227-T231 PolarHBondContact ND1-OG1 3.44Å; H227-T231 PolarHBondContact O-N 3.35Å; H227-T231 PolarHBondContact O-OG1 3.02Å; G228-T231 PolarHBondContact O-N 2.97Å; T231-F233 VanDerWaalsContact C-N 3.34Å
232	S	89.1	Confident	80.1	Confident	92 Å²	92	95.5 Å²	95.5	64%	0.643	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	5.9	176.5	79	0	0	0	0	113.9	G228 I230	G228-S232 WeakPolarHBondContact O-CB 3.48Å; G228-S232 PolarHBondContact O-N 3.42Å; G228-S232 PolarHBondContact O-OG 3.2Å; G228-S232 VanDerWaalsContact O-OG 3.09Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3.27Å
233	F	87.3	Confident	79.6	Confident	150 Å²	150	99.3 Å²	99.3	66%	0.658	52%	0.524	S	S	*	.			trans	-67	126.1	-176.6	-168.4	-92.1	0	0	0	110.2	M229 I230 T231 I235	M229-F233 PolarHBondContact O-N 3.11Å; I230-F233 VanDerWaalsContact O-CB 3.3Å; I230-F233 WeakPolarHBondContact O-CB 3.47Å; I230-F233 PolarHBondContact O-N 2.86Å; I230-F233 VanDerWaalsContact O-N 3.16Å; T231-F233 VanDerWaalsContact C-N 3.34Å; F233-I235 PolarHBondContact O-N 3.41Å; F233-I235 VanDerWaalsContact O-N 3.07Å
234	P	83.7	Confident	79.3	Confident	103 Å²	103	96.8 Å²	96.8	67%	0.669	52%	0.523	S	S	*	.			trans	-68.7	112.4	-170.8	26.1	-34.3	0	0	0	111.8	G236	P234-G236 PolarHBondContact O-N 3.21Å; P234-G236 VanDerWaalsContact O-N 3.12Å
235	I	75.4	Confident	79	Confident	106 Å²	106	97 Å²	97	54%	0.544	52%	0.518	S	S	.	.			trans	-75.2	96.7	169.1	-53.2	-179	0	0	0	107.3	F233 L239 W242	F233-I235 PolarHBondContact O-N 3.41Å; F233-I235 VanDerWaalsContact O-N 3.07Å; I235-L239 HydrophobicContact CG2-CB 3.84Å; I235-L239 HydrophobicContact CG2-CD1 3.49Å; I235-L239 VanDerWaalsContact CG2-CD1 3.49Å; I235-L239 HydrophobicContact CG2-CG 4.26Å; I235-W242 HydrophobicContact CG2-CB 4.49Å; I235-W242 VanDerWaalsContact CG2-CD1 3.48Å; I235-W242 HydrophobicContact CG2-CG 4.12Å
236	G	69.6	Low	78.8	Confident	41 Å²	41	95.9 Å²	95.9	42%	0.423	52%	0.517	S	S	.	.			trans	-58.2	143	-167.5	0	0	0	0	0	115.2	P234 R238 L239	P234-G236 PolarHBondContact O-N 3.21Å; P234-G236 VanDerWaalsContact O-N 3.12Å; G236-R238 PolarHBondContact O-N 2.94Å; G236-L239 WeakPolarHBondContact O-CB 3.49Å; G236-L239 WeakPolarHBondContact O-CG 3.37Å; G236-L239 PolarHBondContact O-N 3.38Å
237	E	62.2	Low	78.8	Confident	196 Å²	196	97.7 Å²	97.7	92%	0.916	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-52.4	-21.1	-164.9	-61.1	179.7	157.6	0	0	117.5	L239 G240	E237-L239 PolarHBondContact O-N 2.9Å; E237-L239 VanDerWaalsContact O-N 3.1Å; E237-G240 PolarHBondContact O-N 3.03Å
238	R	55.5	Low	78.8	Confident	236 Å²	236	98.3 Å²	98.3	89%	0.891	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-61.1	-17	170.8	-61.7	-173.8	-169.9	179.3	4.6	112.7	G236 G240	G236-R238 PolarHBondContact O-N 2.94Å; R238-G240 VanDerWaalsContact C-N 3.26Å; R238-G240 PolarHBondContact O-N 3Å
239	L	54	Low	78.8	Confident	78 Å²	78	98.1 Å²	98.1	41%	0.408	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-88	29.6	-178.6	-67.1	160.1	0	0	0	112.6	I235 G236 E237 E241 W242	I235-L239 HydrophobicContact CG2-CB 3.84Å; I235-L239 HydrophobicContact CG2-CD1 3.49Å; I235-L239 VanDerWaalsContact CG2-CD1 3.49Å; I235-L239 HydrophobicContact CG2-CG 4.26Å; G236-L239 WeakPolarHBondContact O-CB 3.49Å; G236-L239 WeakPolarHBondContact O-CG 3.37Å; G236-L239 PolarHBondContact O-N 3.38Å; E237-L239 PolarHBondContact O-N 2.9Å; E237-L239 VanDerWaalsContact O-N 3.1Å; L239-E241 PolarHBondContact O-N 3.18Å; L239-W242 HydrophobicContact CB-CB 4.01Å; L239-W242 HydrophobicContact CB-CG 4.29Å; L239-W242 HydrophobicContact CD2-CB 4.29Å; L239-W242 VanDerWaalsContact O-CG 3.28Å; L239-W242 PolarHBondContact O-N 3.47Å
240	G	55.1	Low	78.9	Confident	67 Å²	67	95.9 Å²	95.9	69%	0.691	51%	0.512	S	S	*	.	H	α-helix	trans	-50.9	-24.7	153.1	0	0	0	0	0	111.8	E237 R238	E237-G240 PolarHBondContact O-N 3.03Å; R238-G240 VanDerWaalsContact C-N 3.26Å; R238-G240 PolarHBondContact O-N 3Å
241	E	64.4	Low	79	Confident	140 Å²	140	92.8 Å²	92.8	65%	0.654	50%	0.497	S	S	*	.	H	α-helix	trans	-74.5	-15.3	169.3	-59.7	-178.2	170.5	0	0	115.5	L239 Q243 A244 V245	L239-E241 PolarHBondContact O-N 3.18Å; E241-Q243 VanDerWaalsContact C-N 3.25Å; E241-Q243 PolarHBondContact O-N 3.46Å; E241-A244 CarbonylContact O-C 3.54Å; E241-A244 PolarHBondContact O-N 3.32Å; E241-A244 VanDerWaalsContact O-N 3.13Å; E241-V245 WeakPolarHBondContact O-CB 3.35Å; E241-V245 VanDerWaalsContact O-CG2 3.3Å; E241-V245 WeakPolarHBondContact O-CG2 3.4Å; E241-V245 PolarHBondContact O-N 2.89Å
242	W	79	Confident	79.2	Confident	114 Å²	114	90 Å²	90	43%	0.432	48%	0.482	S	S	.	.	H	α-helix	trans	-60.4	-37.9	-178	70.2	-109.2	0	0	0	111.7	I235 L239 V245 L246	I235-W242 HydrophobicContact CG2-CB 4.49Å; I235-W242 VanDerWaalsContact CG2-CD1 3.48Å; I235-W242 HydrophobicContact CG2-CG 4.12Å; L239-W242 HydrophobicContact CB-CB 4.01Å; L239-W242 HydrophobicContact CB-CG 4.29Å; L239-W242 HydrophobicContact CD2-CB 4.29Å; L239-W242 VanDerWaalsContact O-CG 3.28Å; L239-W242 PolarHBondContact O-N 3.47Å; W242-V245 PolarHBondContact O-N 3.46Å; W242-L246 HydrophobicContact CE3-CD1 3.6Å; W242-L246 HydrophobicContact CE3-CG 4.24Å; W242-L246 HydrophobicContact CZ3-CD1 3.74Å; W242-L246 WeakPolarHBondContact O-CB 3.48Å; W242-L246 WeakPolarHBondContact O-CG 3.19Å; W242-L246 PolarHBondContact O-N 3.27Å
243	Q	82.7	Confident	79.3	Confident	112 Å²	112	87.1 Å²	87.1	52%	0.523	46%	0.457	S	S	.	.	H	α-helix	trans	-66.1	-43.6	178.2	-168.1	173.1	8.7	0	0	110.7	E241 L246 Q247	E241-Q243 VanDerWaalsContact C-N 3.25Å; E241-Q243 PolarHBondContact O-N 3.46Å; Q243-L246 PolarHBondContact O-N 2.98Å; Q243-Q247 WeakPolarHBondContact O-CB 3.43Å; Q243-Q247 WeakPolarHBondContact O-CG 3.44Å; Q243-Q247 PolarHBondContact O-N 3.37Å
244	A	83.6	Confident	79.6	Confident	42 Å²	42	81 Å²	81	35%	0.347	43%	0.431	S	S	.	.	H	α-helix	trans	-65.7	-38.3	174.5	0	0	0	0	0	112.4	E241 Q247 N248	E241-A244 CarbonylContact O-C 3.54Å; E241-A244 PolarHBondContact O-N 3.32Å; E241-A244 VanDerWaalsContact O-N 3.13Å; A244-Q247 PolarHBondContact O-N 3.26Å; A244-N248 VanDerWaalsContact O-CB 3.31Å; A244-N248 WeakPolarHBondContact O-CB 3.48Å; A244-N248 PolarHBondContact O-N 2.97Å; A244-N248 PolarHBondContact O-ND2 3.23Å
245	V	86.7	Confident	79.9	Confident	72 Å²	72	76.7 Å²	76.7	44%	0.436	40%	0.403	S	S	.	.	H	α-helix	trans	-63.2	-49.8	174.5	168.3	0	0	0	0	110.3	E241 W242 Q247 N248 M249	E241-V245 WeakPolarHBondContact O-CB 3.35Å; E241-V245 VanDerWaalsContact O-CG2 3.3Å; E241-V245 WeakPolarHBondContact O-CG2 3.4Å; E241-V245 PolarHBondContact O-N 2.89Å; W242-V245 PolarHBondContact O-N 3.46Å; V245-Q247 PolarHBondContact O-N 2.71Å; V245-N248 CarbonylContact O-C 3.41Å; V245-N248 PolarHBondContact O-N 2.93Å; V245-M249 HydrophobicContact CG1-CG 4.32Å; V245-M249 HydrophobicContact CG1-SD 3.68Å; V245-M249 WeakPolarHBondContact O-CB 3.47Å; V245-M249 WeakPolarHBondContact O-CG 3.27Å; V245-M249 PolarHBondContact O-N 3.46Å
246	L	87.9	Confident	80.6	Confident	86 Å²	86	72.2 Å²	72.2	45%	0.45	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-42.9	175.9	-71.7	-173.7	0	0	0	112	W242 Q243 N248 M249 V250	W242-L246 HydrophobicContact CE3-CD1 3.6Å; W242-L246 HydrophobicContact CE3-CG 4.24Å; W242-L246 HydrophobicContact CZ3-CD1 3.74Å; W242-L246 WeakPolarHBondContact O-CB 3.48Å; W242-L246 WeakPolarHBondContact O-CG 3.19Å; W242-L246 PolarHBondContact O-N 3.27Å; Q243-L246 PolarHBondContact O-N 2.98Å; L246-N248 VanDerWaalsContact C-N 3.33Å; L246-N248 PolarHBondContact O-N 3.47Å; L246-M249 HydrophobicContact CD2-SD 4.26Å; L246-M249 PolarHBondContact O-N 3.46Å; L246-V250 WeakPolarHBondContact O-CG2 3.4Å; L246-V250 PolarHBondContact O-N 2.89Å
247	Q	90.3	Very high	81.5	Confident	44 Å²	44	71.9 Å²	71.9	21%	0.206	37%	0.367	C	S	.	.	H	α-helix	trans	-59.6	-43	174.4	-72.3	166.5	-11.6	0	0	111.5	Q243 A244 V245 V250 S251 F266 T270 T272	Q243-Q247 WeakPolarHBondContact O-CB 3.43Å; Q243-Q247 WeakPolarHBondContact O-CG 3.44Å; Q243-Q247 PolarHBondContact O-N 3.37Å; A244-Q247 PolarHBondContact O-N 3.26Å; V245-Q247 PolarHBondContact O-N 2.71Å; Q247-V250 PolarHBondContact O-N 3.45Å; Q247-S251 WeakPolarHBondContact O-CB 3.44Å; Q247-S251 PolarHBondContact O-N 3.44Å; Q247-F266 HydrophobicContact CB-CE1 4.21Å; Q247-F266 HydrophobicContact CB-CZ 4.26Å; Q247-F266 HydrophobicContact CG-CZ 4.22Å; Q247-F266 WeakPolarHBondContact O-CE1 3.19Å; Q247-T270 HydrophobicContact CG-CG2 3.92Å; Q247-T272 HydrophobicContact CB-CG2 3.96Å
248	N	88.8	Confident	82.7	Confident	85 Å²	85	62.6 Å²	62.6	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-66.8	-35.7	175	-73.2	-35.1	0	0	0	112.6	A244 V245 L246 S252	A244-N248 VanDerWaalsContact O-CB 3.31Å; A244-N248 WeakPolarHBondContact O-CB 3.48Å; A244-N248 PolarHBondContact O-N 2.97Å; A244-N248 PolarHBondContact O-ND2 3.23Å; V245-N248 CarbonylContact O-C 3.41Å; V245-N248 PolarHBondContact O-N 2.93Å; L246-N248 VanDerWaalsContact C-N 3.33Å; L246-N248 PolarHBondContact O-N 3.47Å; N248-S252 VanDerWaalsContact O-CB 3.24Å; N248-S252 WeakPolarHBondContact O-CB 3.5Å; N248-S252 PolarHBondContact O-N 2.86Å; N248-S252 PolarHBondContact O-OG 2.95Å
249	M	91.4	Very high	84.3	Confident	30 Å²	30	55.6 Å²	55.6	15%	0.148	30%	0.298	C	S	.	.	H	α-helix	trans	-67.5	-41.5	175.4	-69.3	171.8	77.9	0	0	111.8	V245 L246 S252 Y253 P584 L585 A588	V245-M249 HydrophobicContact CG1-CG 4.32Å; V245-M249 HydrophobicContact CG1-SD 3.68Å; V245-M249 WeakPolarHBondContact O-CB 3.47Å; V245-M249 WeakPolarHBondContact O-CG 3.27Å; V245-M249 PolarHBondContact O-N 3.46Å; L246-M249 HydrophobicContact CD2-SD 4.26Å; L246-M249 PolarHBondContact O-N 3.46Å; M249-S252 PolarHBondContact O-OG 3.02Å; M249-S252 VanDerWaalsContact O-OG 3.12Å; M249-Y253 WeakPolarHBondContact O-CB 3.35Å; M249-Y253 PolarHBondContact O-N 3.18Å; M249-P584 HydrophobicContact CG-CB 4.14Å; M249-L585 HydrophobicContact CB-CB 4.31Å; M249-L585 HydrophobicContact CE-CD1 4.42Å; M249-A588 HydrophobicContact CE-CB 3.5Å; M249-A588 VanDerWaalsContact CE-CB 3.5Å
250	V	92.8	Very high	85.8	Confident	51 Å²	51	52.9 Å²	52.9	31%	0.309	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-47.9	174	172.5	0	0	0	0	110.9	L246 Q247 S252 Y253 L254 F266	L246-V250 WeakPolarHBondContact O-CG2 3.4Å; L246-V250 PolarHBondContact O-N 2.89Å; Q247-V250 PolarHBondContact O-N 3.45Å; V250-S252 PolarHBondContact O-N 3.46Å; V250-Y253 WeakPolarHBondContact O-CB 3.49Å; V250-Y253 PolarHBondContact O-N 2.86Å; V250-L254 HydrophobicContact CG1-CD1 4.07Å; V250-L254 HydrophobicContact CG1-CG 4.38Å; V250-L254 WeakPolarHBondContact O-CG 3.47Å; V250-L254 PolarHBondContact O-N 3.18Å; V250-F266 HydrophobicContact CB-CE1 4.24Å; V250-F266 HydrophobicContact CB-CE2 4.43Å; V250-F266 HydrophobicContact CB-CZ 3.86Å; V250-F266 HydrophobicContact CG1-CD2 4.26Å; V250-F266 HydrophobicContact CG1-CE1 4.09Å; V250-F266 HydrophobicContact CG1-CE2 3.75Å; V250-F266 HydrophobicContact CG1-CZ 3.65Å
251	S	91.9	Very high	87.4	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-47.8	178.3	-177	0	0	0	0	111.6	Q247 Y253 L254 V255	Q247-S251 WeakPolarHBondContact O-CB 3.44Å; Q247-S251 PolarHBondContact O-N 3.44Å; S251-Y253 PolarHBondContact O-N 3.12Å; S251-L254 PolarHBondContact O-N 2.81Å; S251-V255 VanDerWaalsContact O-CG2 3.3Å; S251-V255 WeakPolarHBondContact O-CG2 3.27Å; S251-V255 PolarHBondContact O-N 3.45Å
252	S	90.9	Very high	88.8	Confident	40 Å²	40	50.6 Å²	50.6	28%	0.28	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-34.4	176.3	57.2	0	0	0	0	113.3	N248 M249 V250 H256	N248-S252 VanDerWaalsContact O-CB 3.24Å; N248-S252 WeakPolarHBondContact O-CB 3.5Å; N248-S252 PolarHBondContact O-N 2.86Å; N248-S252 PolarHBondContact O-OG 2.95Å; M249-S252 PolarHBondContact O-OG 3.02Å; M249-S252 VanDerWaalsContact O-OG 3.12Å; V250-S252 PolarHBondContact O-N 3.46Å; S252-H256 WeakPolarHBondContact O-CB 3.39Å; S252-H256 PolarHBondContact O-N 3.45Å
253	Y	92.6	Very high	89.3	Confident	31 Å²	31	45.2 Å²	45.2	12%	0.122	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-48.4	170.3	178.8	-87.5	0	0	0	111.9	M249 V250 S251 V255 H256 H257 Y259 N466 P583 L585 M586	M249-Y253 WeakPolarHBondContact O-CB 3.35Å; M249-Y253 PolarHBondContact O-N 3.18Å; V250-Y253 WeakPolarHBondContact O-CB 3.49Å; V250-Y253 PolarHBondContact O-N 2.86Å; S251-Y253 PolarHBondContact O-N 3.12Å; Y253-V255 VanDerWaalsContact C-N 3.34Å; Y253-V255 PolarHBondContact O-N 2.89Å; Y253-H256 PolarHBondContact O-N 2.69Å; Y253-H257 AromaticContact CD2-CD2 3.7Å; Y253-H257 AromaticContact CD2-NE2 3.9Å; Y253-H257 AromaticContact CE1-CD2 3.88Å; Y253-H257 AromaticContact CE2-CD2 3.34Å; Y253-H257 WeakPolarHBondContact CE2-CD2 3.25Å; Y253-H257 AromaticContact CE2-NE2 3.28Å; Y253-H257 VanDerWaalsContact CE2-NE2 3.28Å; Y253-H257 WeakPolarHBondContact CE2-NE2 3.35Å; Y253-H257 AromaticContact CZ-CD2 3.41Å; Y253-H257 VanDerWaalsContact CZ-CD2 3.41Å; Y253-H257 AromaticContact CZ-NE2 3.65Å; Y253-H257 PolarHBondContact O-CD2 3.06Å; Y253-H257 PolarHBondContact O-N 3.16Å; Y253-Y259 HydrophobicContact CE1-CE2 4.12Å; Y253-N466 PolarHBondContact OH-ND2 3.12Å; Y253-N466 PolarHBondContact OH-OD1 3.44Å; Y253-P583 HydrophobicContact CD2-CB 4.14Å; Y253-P583 HydrophobicContact CD2-CG 3.66Å; Y253-P583 HydrophobicContact CE2-CG 4.34Å; Y253-L585 HydrophobicContact CD2-CD2 4.24Å; Y253-L585 HydrophobicContact CG-CD2 4.12Å; Y253-M586 HydrophobicContact CD2-CG 4.31Å; Y253-M586 HydrophobicContact CE2-CG 4.12Å; Y253-M586 HydrophobicContact CE2-SD 4.13Å
254	L	92.3	Very high	89.7	Confident	20 Å²	20	41.7 Å²	41.7	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-41.2	179.4	-66.8	173.2	0	0	0	112.1	V250 S251 G258 Y259 T262 A263 F266	V250-L254 HydrophobicContact CG1-CD1 4.07Å; V250-L254 HydrophobicContact CG1-CG 4.38Å; V250-L254 WeakPolarHBondContact O-CG 3.47Å; V250-L254 PolarHBondContact O-N 3.18Å; S251-L254 PolarHBondContact O-N 2.81Å; L254-G258 PolarHBondContact O-N 3.05Å; L254-Y259 HydrophobicContact CD2-CD2 3.89Å; L254-Y259 HydrophobicContact CD2-CG 4.39Å; L254-Y259 WeakPolarHBondContact O-CB 3.42Å; L254-Y259 PolarHBondContact O-N 2.96Å; L254-T262 HydrophobicContact CD1-CG2 4.06Å; L254-T262 HydrophobicContact CD2-CG2 3.98Å; L254-A263 HydrophobicContact CB-CB 3.85Å; L254-F266 HydrophobicContact CD1-CB 4.07Å; L254-F266 HydrophobicContact CD1-CG 4.2Å
255	V	90.8	Very high	90.1	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.085	25%	0.25	C	C	.	.	H	α-helix	trans	-67.7	-46.7	176.1	172.1	0	0	0	0	111.1	S251 Y253 H257 G258 A263 I274 E276 I281 R284	S251-V255 VanDerWaalsContact O-CG2 3.3Å; S251-V255 WeakPolarHBondContact O-CG2 3.27Å; S251-V255 PolarHBondContact O-N 3.45Å; Y253-V255 VanDerWaalsContact C-N 3.34Å; Y253-V255 PolarHBondContact O-N 2.89Å; V255-H257 PolarHBondContact O-N 3.2Å; V255-G258 PolarHBondContact O-N 2.85Å; V255-A263 HydrophobicContact CG2-CB 4Å; V255-I274 HydrophobicContact CG2-CG1 4.35Å; V255-I274 HydrophobicContact CG2-CG2 3.85Å; V255-E276 HydrophobicContact CG1-CB 3.97Å; V255-E276 WeakPolarHBondContact CG1-OE2 3.5Å; V255-I281 HydrophobicContact CG1-CD1 3.9Å; V255-I281 HydrophobicContact CG1-CG1 4.13Å; V255-R284 PolarHBondContact O-NH2 2.86Å
256	H	90.3	Very high	90.5	Very high	11 Å²	11	41.9 Å²	41.9	5%	0.051	24%	0.241	C	C	.	.	H	α-helix	trans	-55.2	-49.6	178.4	-179.3	-71	0	0	0	111.3	S252 Y253 G258 R284 N570 L574 K581 P583	S252-H256 WeakPolarHBondContact O-CB 3.39Å; S252-H256 PolarHBondContact O-N 3.45Å; Y253-H256 PolarHBondContact O-N 2.69Å; H256-G258 VanDerWaalsContact C-N 3.26Å; H256-G258 PolarHBondContact O-N 3.37Å; H256-R284 PolarHBondContact O-NH1 3.05Å; H256-N570 PolarHBondContact CE1-ND2 3.23Å; H256-N570 PolarHBondContact ND1-ND2 3.12Å; H256-N570 PolarHBondContact O-ND2 2.92Å; H256-L574 WeakPolarHBondContact CD2-CD1 3.14Å; H256-L574 WeakPolarHBondContact NE2-CD1 3.33Å; H256-K581 PolarHBondContact NE2-O 2.94Å; H256-P583 HydrophobicContact CB-CB 4.22Å
257	H	88.6	Confident	90.6	Very high	34 Å²	34	38.4 Å²	38.4	16%	0.157	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	2.6	179.5	-73	-80.4	0	0	0	115	Y253 V255 Y259	Y253-H257 AromaticContact CD2-CD2 3.7Å; Y253-H257 AromaticContact CD2-NE2 3.9Å; Y253-H257 AromaticContact CE1-CD2 3.88Å; Y253-H257 AromaticContact CE2-CD2 3.34Å; Y253-H257 WeakPolarHBondContact CE2-CD2 3.25Å; Y253-H257 AromaticContact CE2-NE2 3.28Å; Y253-H257 VanDerWaalsContact CE2-NE2 3.28Å; Y253-H257 WeakPolarHBondContact CE2-NE2 3.35Å; Y253-H257 AromaticContact CZ-CD2 3.41Å; Y253-H257 VanDerWaalsContact CZ-CD2 3.41Å; Y253-H257 AromaticContact CZ-NE2 3.65Å; Y253-H257 PolarHBondContact O-CD2 3.06Å; Y253-H257 PolarHBondContact O-N 3.16Å; V255-H257 PolarHBondContact O-N 3.2Å; H257-Y259 HydrophobicContact CB-CD2 3.68Å; H257-Y259 HydrophobicContact CB-CE2 3.35Å; H257-Y259 HydrophobicContact CB-CG 4.48Å
258	G	86.7	Confident	90.7	Very high	1 Å²	1	46 Å²	46	1%	0.01	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	17.2	174.2	0	0	0	0	0	114.8	L254 V255 H256 C260 Q285	L254-G258 PolarHBondContact O-N 3.05Å; V255-G258 PolarHBondContact O-N 2.85Å; H256-G258 VanDerWaalsContact C-N 3.26Å; H256-G258 PolarHBondContact O-N 3.37Å; G258-C260 PolarHBondContact O-N 3Å; G258-Q285 PolarHBondContact O-NE2 3.4Å; G258-Q285 VanDerWaalsContact O-NE2 3.09Å
259	Y	88.9	Confident	90.9	Very high	89 Å²	89	46 Å²	46	35%	0.349	26%	0.263	S	S	.	.			trans	-76.5	52.3	177.5	-57.3	-51	0	0	0	112.1	Y253 L254 H257 A261 T262 A263 N466	Y253-Y259 HydrophobicContact CE1-CE2 4.12Å; L254-Y259 HydrophobicContact CD2-CD2 3.89Å; L254-Y259 HydrophobicContact CD2-CG 4.39Å; L254-Y259 WeakPolarHBondContact O-CB 3.42Å; L254-Y259 PolarHBondContact O-N 2.96Å; H257-Y259 HydrophobicContact CB-CD2 3.68Å; H257-Y259 HydrophobicContact CB-CE2 3.35Å; H257-Y259 HydrophobicContact CB-CG 4.48Å; Y259-A261 PolarHBondContact O-N 3.01Å; Y259-T262 PolarHBondContact O-N 2.96Å; Y259-T262 VanDerWaalsContact O-N 3.11Å; Y259-A263 WeakPolarHBondContact O-CB 3.41Å; Y259-A263 PolarHBondContact O-N 3.19Å; Y259-N466 PolarHBondContact OH-ND2 3.07Å
260	C	86.6	Confident	90.8	Very high	21 Å²	21	46 Å²	46	14%	0.142	26%	0.264	C	S	.	.	H	α-helix	trans	-49.6	-45.9	-171.3	160.2	0	0	0	0	114.7	G258 A263 T264 Q278 I281	G258-C260 PolarHBondContact O-N 3Å; C260-A263 PolarHBondContact O-N 3.06Å; C260-T264 WeakPolarHBondContact O-CB 3.15Å; C260-T264 PolarHBondContact O-N 2.96Å; C260-T264 PolarHBondContact O-OG1 3.12Å; C260-Q278 VanDerWaalsContact SG-CD 3.54Å; C260-Q278 PolarHBondContact SG-NE2 3.19Å; C260-Q278 PolarHBondContact SG-OE1 3.27Å; C260-I281 HydrophobicContact CB-CG2 3.98Å
261	A	88.8	Confident	90.5	Very high	78 Å²	78	52.3 Å²	52.3	65%	0.645	29%	0.291	S	S	*	.	H	α-helix	trans	-63.7	-47.4	-179.8	0	0	0	0	0	111.3	Y259 T264 A265	Y259-A261 PolarHBondContact O-N 3.01Å; A261-T264 PolarHBondContact O-N 2.72Å; A261-A265 WeakPolarHBondContact O-CB 3.46Å; A261-A265 PolarHBondContact O-N 2.99Å
262	T	92.4	Very high	90.2	Very high	81 Å²	81	53 Å²	53	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-45.1	176.3	-43.4	0	0	0	0	111.5	L254 Y259 T264 A265 F266	L254-T262 HydrophobicContact CD1-CG2 4.06Å; L254-T262 HydrophobicContact CD2-CG2 3.98Å; Y259-T262 PolarHBondContact O-N 2.96Å; Y259-T262 VanDerWaalsContact O-N 3.11Å; T262-T264 VanDerWaalsContact C-N 3.31Å; T262-T264 PolarHBondContact O-N 3.01Å; T262-A265 PolarHBondContact O-N 3.29Å; T262-F266 VanDerWaalsContact O-CB 3.23Å; T262-F266 WeakPolarHBondContact O-CB 3.34Å; T262-F266 PolarHBondContact O-N 3.07Å
263	A	90.9	Very high	89.9	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-42	176	0	0	0	0	0	111.8	L254 V255 Y259 C260 A267 I274	L254-A263 HydrophobicContact CB-CB 3.85Å; V255-A263 HydrophobicContact CG2-CB 4Å; Y259-A263 WeakPolarHBondContact O-CB 3.41Å; Y259-A263 PolarHBondContact O-N 3.19Å; C260-A263 PolarHBondContact O-N 3.06Å; A263-A267 WeakPolarHBondContact O-CB 3.42Å; A263-A267 PolarHBondContact O-N 3.46Å; A263-I274 HydrophobicContact CB-CD1 4.15Å
264	T	90	Very high	89.5	Confident	39 Å²	39	57.5 Å²	57.5	24%	0.239	32%	0.322	C	S	.	.	H	α-helix	trans	-69.5	-40.3	178.6	-55.9	0	0	0	0	111.9	C260 A261 T262 R268	C260-T264 WeakPolarHBondContact O-CB 3.15Å; C260-T264 PolarHBondContact O-N 2.96Å; C260-T264 PolarHBondContact O-OG1 3.12Å; A261-T264 PolarHBondContact O-N 2.72Å; T262-T264 VanDerWaalsContact C-N 3.31Å; T262-T264 PolarHBondContact O-N 3.01Å; T264-R268 VanDerWaalsContact O-CG 3.3Å; T264-R268 WeakPolarHBondContact O-CG 3.47Å; T264-R268 PolarHBondContact O-N 3.33Å
265	A	93.3	Very high	88.8	Confident	62 Å²	62	65.7 Å²	65.7	51%	0.512	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-45.1	175.6	0	0	0	0	0	111.4	A261 T262 R268 A269	A261-A265 WeakPolarHBondContact O-CB 3.46Å; A261-A265 PolarHBondContact O-N 2.99Å; T262-A265 PolarHBondContact O-N 3.29Å; A265-R268 PolarHBondContact O-N 2.89Å; A265-A269 PolarHBondContact O-N 3.23Å; A265-A269 VanDerWaalsContact O-N 3.17Å
266	F	93.8	Very high	88.5	Confident	55 Å²	55	66.2 Å²	66.2	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-52.4	175.4	-173.6	-94	0	0	0	111.1	Q247 V250 L254 T262 R268 A269 T270	Q247-F266 HydrophobicContact CB-CE1 4.21Å; Q247-F266 HydrophobicContact CB-CZ 4.26Å; Q247-F266 HydrophobicContact CG-CZ 4.22Å; Q247-F266 WeakPolarHBondContact O-CE1 3.19Å; V250-F266 HydrophobicContact CB-CE1 4.24Å; V250-F266 HydrophobicContact CB-CE2 4.43Å; V250-F266 HydrophobicContact CB-CZ 3.86Å; V250-F266 HydrophobicContact CG1-CD2 4.26Å; V250-F266 HydrophobicContact CG1-CE1 4.09Å; V250-F266 HydrophobicContact CG1-CE2 3.75Å; V250-F266 HydrophobicContact CG1-CZ 3.65Å; L254-F266 HydrophobicContact CD1-CB 4.07Å; L254-F266 HydrophobicContact CD1-CG 4.2Å; T262-F266 VanDerWaalsContact O-CB 3.23Å; T262-F266 WeakPolarHBondContact O-CB 3.34Å; T262-F266 PolarHBondContact O-N 3.07Å; F266-R268 PolarHBondContact O-N 3.3Å; F266-A269 CarbonylContact O-C 3.54Å; F266-A269 WeakPolarHBondContact O-CA 3.36Å; F266-A269 PolarHBondContact O-N 3.37Å; F266-T270 HydrophobicContact CD1-CG2 4.21Å; F266-T270 HydrophobicContact CD2-CG2 4.35Å; F266-T270 HydrophobicContact CE1-CG2 3.84Å; F266-T270 HydrophobicContact CE2-CG2 4Å; F266-T270 HydrophobicContact CG-CG2 4.46Å; F266-T270 HydrophobicContact CZ-CG2 3.73Å; F266-T270 PolarHBondContact O-N 3.2Å; F266-T270 PolarHBondContact O-OG1 2.83Å
267	A	91.4	Very high	88.2	Confident	13 Å²	13	70.3 Å²	70.3	11%	0.107	38%	0.383	C	S	.	.	H	α-helix	trans	-55.6	-34.9	178.8	0	0	0	0	0	113.9	A263 E271 T272 I274	A263-A267 WeakPolarHBondContact O-CB 3.42Å; A263-A267 PolarHBondContact O-N 3.46Å; A267-E271 WeakPolarHBondContact O-CA 3.14Å; A267-E271 PolarHBondContact O-N 2.76Å; A267-E271 VanDerWaalsContact O-N 3.1Å; A267-T272 VanDerWaalsContact CB-O 3.3Å; A267-T272 WeakPolarHBondContact CB-O 3.4Å; A267-T272 PolarHBondContact O-N 3.16Å; A267-I274 HydrophobicContact CB-CD1 4.14Å; A267-I274 HydrophobicContact CB-CG1 4.09Å
268	R	91.9	Very high	88	Confident	204 Å²	204	71.6 Å²	71.6	77%	0.77	39%	0.389	S	S	*	.	H	α-helix	trans	-71.8	-34.2	173.4	-71.2	172.2	-174.3	-173.6	2.6	113.1	T264 A265 F266	T264-R268 VanDerWaalsContact O-CG 3.3Å; T264-R268 WeakPolarHBondContact O-CG 3.47Å; T264-R268 PolarHBondContact O-N 3.33Å; A265-R268 PolarHBondContact O-N 2.89Å; F266-R268 PolarHBondContact O-N 3.3Å
269	A	92.5	Very high	88	Confident	86 Å²	86	75.5 Å²	75.5	71%	0.711	41%	0.413	S	S	*	.	H	α-helix	trans	-80.5	-25.5	-179.2	0	0	0	0	0	113.2	A265 F266	A265-A269 PolarHBondContact O-N 3.23Å; A265-A269 VanDerWaalsContact O-N 3.17Å; F266-A269 CarbonylContact O-C 3.54Å; F266-A269 WeakPolarHBondContact O-CA 3.36Å; F266-A269 PolarHBondContact O-N 3.37Å
270	T	89.8	Confident	88	Confident	28 Å²	28	71.9 Å²	71.9	17%	0.172	40%	0.4	C	S	.	.	S	Bend	trans	-108.9	2.1	-178.2	58.4	0	0	0	0	114	Q247 F266 T272	Q247-T270 HydrophobicContact CG-CG2 3.92Å; F266-T270 HydrophobicContact CD1-CG2 4.21Å; F266-T270 HydrophobicContact CD2-CG2 4.35Å; F266-T270 HydrophobicContact CE1-CG2 3.84Å; F266-T270 HydrophobicContact CE2-CG2 4Å; F266-T270 HydrophobicContact CG-CG2 4.46Å; F266-T270 HydrophobicContact CZ-CG2 3.73Å; F266-T270 PolarHBondContact O-N 3.2Å; F266-T270 PolarHBondContact O-OG1 2.83Å; T270-T272 PolarHBondContact O-N 3.44Å; T270-T272 PolarHBondContact OG1-OG1 3.35Å
271	E	86.6	Confident	88.1	Confident	185 Å²	185	71 Å²	71	86%	0.864	39%	0.394	S	S	*	.			trans	55.8	15.9	-174.9	-56.4	-175.1	-179.8	0	0	114.8	A267	A267-E271 WeakPolarHBondContact O-CA 3.14Å; A267-E271 PolarHBondContact O-N 2.76Å; A267-E271 VanDerWaalsContact O-N 3.1Å
272	T	85.1	Confident	88.2	Confident	20 Å²	20	72.8 Å²	72.8	12%	0.123	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-80.8	144.3	178.9	57.1	0	0	0	0	111.9	Q247 A267 T270	Q247-T272 HydrophobicContact CB-CG2 3.96Å; A267-T272 VanDerWaalsContact CB-O 3.3Å; A267-T272 WeakPolarHBondContact CB-O 3.4Å; A267-T272 PolarHBondContact O-N 3.16Å; T270-T272 PolarHBondContact O-N 3.44Å; T270-T272 PolarHBondContact OG1-OG1 3.35Å
273	T	84	Confident	88.2	Confident	113 Å²	113	71 Å²	71	69%	0.693	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-89.7	140	176.5	53.4	0	0	0	0	112.6
274	I	84.4	Confident	88.4	Confident	53 Å²	53	71 Å²	71	27%	0.272	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-86.3	122.7	170.8	-63.3	173.5	0	0	0	107.9	V255 A263 A267 I281	V255-I274 HydrophobicContact CG2-CG1 4.35Å; V255-I274 HydrophobicContact CG2-CG2 3.85Å; A263-I274 HydrophobicContact CB-CD1 4.15Å; A267-I274 HydrophobicContact CB-CD1 4.14Å; A267-I274 HydrophobicContact CB-CG1 4.09Å; I274-I281 HydrophobicContact CG2-CD1 4.07Å
275	Q	78.6	Confident	88.5	Confident	191 Å²	191	73.2 Å²	73.2	89%	0.893	38%	0.382	S	S	*	.			trans	-85.3	-26.2	-177.4	-64.8	-166.1	3.4	0	0	114.4
276	E	83.4	Confident	88.5	Confident	25 Å²	25	77.4 Å²	77.4	12%	0.117	39%	0.385	C	S	.	.	S	Bend	trans	-83.7	138.9	179.4	-169.4	-175.3	162.7	0	0	111.2	V255 S280 I281 R284 L579	V255-E276 HydrophobicContact CG1-CB 3.97Å; V255-E276 WeakPolarHBondContact CG1-OE2 3.5Å; E276-S280 WeakPolarHBondContact OE1-CB 3.23Å; E276-S280 PolarHBondContact OE1-OG 2.63Å; E276-I281 HydrophobicContact CB-CD1 4.27Å; E276-I281 HydrophobicContact CB-CG1 4.15Å; E276-I281 HydrophobicContact CG-CG1 3.97Å; E276-I281 PolarHBondContact OE1-N 3.11Å; E276-R284 VanDerWaalsContact CD-NH2 3.32Å; E276-R284 IonicContact OE1-CZ 2.67Å; E276-R284 IonicContact OE1-NE 3.63Å; E276-R284 PolarHBondContact OE1-NE 3.03Å; E276-R284 IonicContact OE1-NH2 3.13Å; E276-R284 PolarHBondContact OE1-NH2 2.95Å; E276-R284 IonicContact OE2-CZ 3.17Å; E276-R284 IonicContact OE2-NE 3.49Å; E276-R284 IonicContact OE2-NH2 2.89Å; E276-R284 PolarHBondContact OE2-NH2 2.75Å; E276-L579 HydrophobicContact CG-CD1 4Å
277	D	85.3	Confident	88.6	Confident	98 Å²	98	74.8 Å²	74.8	52%	0.524	37%	0.374	S	S	.	.			trans	-61.1	140	175.7	177.3	61.7	0	0	0	112.5	T279 S280 I281	D277-T279 PolarHBondContact O-N 2.87Å; D277-T279 VanDerWaalsContact O-N 3.16Å; D277-T279 WeakPolarHBondContact OD2-CA 3.48Å; D277-T279 WeakPolarHBondContact OD2-CB 3.43Å; D277-T279 PolarHBondContact OD2-N 3.15Å; D277-T279 PolarHBondContact OD2-OG1 2.81Å; D277-S280 WeakPolarHBondContact O-CB 2.99Å; D277-S280 PolarHBondContact O-N 3.13Å; D277-I281 PolarHBondContact O-N 3.26Å; D277-I281 VanDerWaalsContact O-N 3.17Å
278	Q	82.9	Confident	88.8	Confident	61 Å²	61	75.1 Å²	75.1	29%	0.285	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-25	-176.1	-174.5	55.1	92.9	0	0	113.3	C260 K282	C260-Q278 VanDerWaalsContact SG-CD 3.54Å; C260-Q278 PolarHBondContact SG-NE2 3.19Å; C260-Q278 PolarHBondContact SG-OE1 3.27Å; Q278-K282 VanDerWaalsContact O-CG 3.29Å; Q278-K282 WeakPolarHBondContact O-CG 3.28Å; Q278-K282 PolarHBondContact O-N 3.03Å
279	T	87.4	Confident	88.9	Confident	83 Å²	83	72.5 Å²	72.5	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-72.7	-41.6	174.1	-37.1	0	0	0	0	110.9	D277 K282 N283	D277-T279 PolarHBondContact O-N 2.87Å; D277-T279 VanDerWaalsContact O-N 3.16Å; D277-T279 WeakPolarHBondContact OD2-CA 3.48Å; D277-T279 WeakPolarHBondContact OD2-CB 3.43Å; D277-T279 PolarHBondContact OD2-N 3.15Å; D277-T279 PolarHBondContact OD2-OG1 2.81Å; T279-K282 PolarHBondContact O-N 3.38Å; T279-N283 WeakPolarHBondContact O-CB 3.44Å; T279-N283 VanDerWaalsContact O-CG 3.24Å; T279-N283 PolarHBondContact O-N 3.49Å
280	S	89.4	Confident	89	Confident	12 Å²	12	69.2 Å²	69.2	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-48	176.6	-173.5	0	0	0	0	111.2	E276 D277 K282 N283 R284 Q577	E276-S280 WeakPolarHBondContact OE1-CB 3.23Å; E276-S280 PolarHBondContact OE1-OG 2.63Å; D277-S280 WeakPolarHBondContact O-CB 2.99Å; D277-S280 PolarHBondContact O-N 3.13Å; S280-K282 VanDerWaalsContact C-N 3.32Å; S280-K282 PolarHBondContact O-N 3.11Å; S280-N283 PolarHBondContact O-N 3.49Å; S280-R284 WeakPolarHBondContact O-CG 3.32Å; S280-R284 PolarHBondContact O-N 2.88Å; S280-Q577 PolarHBondContact OG-NE2 2.89Å; S280-Q577 PolarHBondContact OG-OE1 3.21Å
281	I	88.6	Confident	89.3	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-58.2	-43.5	176.5	-56.6	169.6	0	0	0	111.1	V255 C260 I274 E276 D277 Q285	V255-I281 HydrophobicContact CG1-CD1 3.9Å; V255-I281 HydrophobicContact CG1-CG1 4.13Å; C260-I281 HydrophobicContact CB-CG2 3.98Å; I274-I281 HydrophobicContact CG2-CD1 4.07Å; E276-I281 HydrophobicContact CB-CD1 4.27Å; E276-I281 HydrophobicContact CB-CG1 4.15Å; E276-I281 HydrophobicContact CG-CG1 3.97Å; E276-I281 PolarHBondContact OE1-N 3.11Å; D277-I281 PolarHBondContact O-N 3.26Å; D277-I281 VanDerWaalsContact O-N 3.17Å; I281-Q285 VanDerWaalsContact O-CB 3.28Å; I281-Q285 WeakPolarHBondContact O-CB 3.17Å; I281-Q285 PolarHBondContact O-N 3.49Å
282	K	89.8	Confident	89.6	Confident	116 Å²	116	62.9 Å²	62.9	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-67.4	-37.6	178.5	-76	171.8	-179.8	177.4	0	112.9	Q278 T279 S280 Q285 R286	Q278-K282 VanDerWaalsContact O-CG 3.29Å; Q278-K282 WeakPolarHBondContact O-CG 3.28Å; Q278-K282 PolarHBondContact O-N 3.03Å; T279-K282 PolarHBondContact O-N 3.38Å; S280-K282 VanDerWaalsContact C-N 3.32Å; S280-K282 PolarHBondContact O-N 3.11Å; K282-Q285 PolarHBondContact O-N 2.83Å; K282-R286 WeakPolarHBondContact O-CB 3.4Å; K282-R286 PolarHBondContact O-N 2.96Å
283	N	93.5	Very high	90	Very high	44 Å²	44	64.3 Å²	64.3	24%	0.235	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-47.9	176.2	-75.3	-12.1	0	0	0	111	T279 S280 R286 I287 L306 Y307	T279-N283 WeakPolarHBondContact O-CB 3.44Å; T279-N283 VanDerWaalsContact O-CG 3.24Å; T279-N283 PolarHBondContact O-N 3.49Å; S280-N283 PolarHBondContact O-N 3.49Å; N283-R286 PolarHBondContact O-N 3.36Å; N283-I287 WeakPolarHBondContact O-CG1 3.35Å; N283-I287 PolarHBondContact O-N 2.96Å; N283-I287 VanDerWaalsContact O-N 3.16Å; N283-L306 HydrophobicContact CB-CD1 4.07Å; N283-Y307 WeakPolarHBondContact CB-OH 3.48Å
284	R	94.3	Very high	90.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.7	-47.9	174.2	-65.4	-173.6	-57.6	92.9	-4.9	111.5	V255 H256 E276 S280 R286 I287 Q288 N570 I573	V255-R284 PolarHBondContact O-NH2 2.86Å; H256-R284 PolarHBondContact O-NH1 3.05Å; E276-R284 VanDerWaalsContact CD-NH2 3.32Å; E276-R284 IonicContact OE1-CZ 2.67Å; E276-R284 IonicContact OE1-NE 3.63Å; E276-R284 PolarHBondContact OE1-NE 3.03Å; E276-R284 IonicContact OE1-NH2 3.13Å; E276-R284 PolarHBondContact OE1-NH2 2.95Å; E276-R284 IonicContact OE2-CZ 3.17Å; E276-R284 IonicContact OE2-NE 3.49Å; E276-R284 IonicContact OE2-NH2 2.89Å; E276-R284 PolarHBondContact OE2-NH2 2.75Å; S280-R284 WeakPolarHBondContact O-CG 3.32Å; S280-R284 PolarHBondContact O-N 2.88Å; R284-R286 VanDerWaalsContact C-N 3.28Å; R284-R286 PolarHBondContact O-N 3.31Å; R284-I287 PolarHBondContact O-N 3.35Å; R284-I287 VanDerWaalsContact O-N 3.08Å; R284-Q288 VanDerWaalsContact O-CG 3.32Å; R284-Q288 WeakPolarHBondContact O-CG 3.38Å; R284-Q288 PolarHBondContact O-N 2.98Å; R284-N570 PolarHBondContact NH1-OD1 3.32Å; R284-I573 HydrophobicContact CG-CG2 3.77Å
285	Q	92.2	Very high	90.9	Very high	86 Å²	86	61 Å²	61	40%	0.402	29%	0.293	S	S	.	.	H	α-helix	trans	-56.8	-39.6	177.3	-169.5	-174	42.7	0	0	112.5	G258 I281 K282 K289	G258-Q285 PolarHBondContact O-NE2 3.4Å; G258-Q285 VanDerWaalsContact O-NE2 3.09Å; I281-Q285 VanDerWaalsContact O-CB 3.28Å; I281-Q285 WeakPolarHBondContact O-CB 3.17Å; I281-Q285 PolarHBondContact O-N 3.49Å; K282-Q285 PolarHBondContact O-N 2.83Å; Q285-K289 VanDerWaalsContact O-CB 3.31Å; Q285-K289 WeakPolarHBondContact O-CB 3.49Å; Q285-K289 PolarHBondContact O-N 2.95Å
286	R	94.4	Very high	91.7	Very high	151 Å²	151	51.9 Å²	51.9	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-62.4	-46.9	174.8	179.1	179.9	174.7	-177.4	-3.2	111.8	K282 N283 R284 K289 L290	K282-R286 WeakPolarHBondContact O-CB 3.4Å; K282-R286 PolarHBondContact O-N 2.96Å; N283-R286 PolarHBondContact O-N 3.36Å; R284-R286 VanDerWaalsContact C-N 3.28Å; R284-R286 PolarHBondContact O-N 3.31Å; R286-K289 PolarHBondContact O-N 2.99Å; R286-L290 WeakPolarHBondContact O-CG 3.36Å; R286-L290 PolarHBondContact O-N 3.47Å; R286-L290 VanDerWaalsContact O-N 3.16Å
287	I	95.7	Very high	92.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-47.8	178.7	-67.1	165.9	0	0	0	110.5	N283 R284 K289 L290 V291 A299 A302 L306 Y307 L569 I573	N283-I287 WeakPolarHBondContact O-CG1 3.35Å; N283-I287 PolarHBondContact O-N 2.96Å; N283-I287 VanDerWaalsContact O-N 3.16Å; R284-I287 PolarHBondContact O-N 3.35Å; R284-I287 VanDerWaalsContact O-N 3.08Å; I287-K289 VanDerWaalsContact C-N 3.32Å; I287-K289 PolarHBondContact O-N 3.04Å; I287-L290 WeakPolarHBondContact O-CB 3.44Å; I287-L290 PolarHBondContact O-N 3.45Å; I287-L290 VanDerWaalsContact O-N 3.08Å; I287-V291 PolarHBondContact O-N 3.46Å; I287-A299 HydrophobicContact CG2-CB 4.48Å; I287-A302 HydrophobicContact CG1-CB 4.09Å; I287-L306 HydrophobicContact CD1-CD1 4.18Å; I287-L306 HydrophobicContact CG1-CD1 4.47Å; I287-Y307 HydrophobicContact CD1-CD2 3.98Å; I287-Y307 HydrophobicContact CD1-CE2 3.66Å; I287-L569 HydrophobicContact CG2-CD2 3.47Å; I287-L569 VanDerWaalsContact CG2-CD2 3.47Å; I287-L569 HydrophobicContact CG2-CG 4.18Å; I287-I573 HydrophobicContact CD1-CD1 3.86Å; I287-I573 HydrophobicContact CG2-CD1 4.31Å
288	Q	94.5	Very high	92.7	Very high	20 Å²	20	48.8 Å²	48.8	9%	0.093	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-43	177.5	-69	175.3	-66.6	0	0	111.8	R284 L290 V291 L292 C566 N570	R284-Q288 VanDerWaalsContact O-CG 3.32Å; R284-Q288 WeakPolarHBondContact O-CG 3.38Å; R284-Q288 PolarHBondContact O-N 2.98Å; Q288-L290 VanDerWaalsContact C-N 3.32Å; Q288-L290 PolarHBondContact O-N 2.87Å; Q288-V291 PolarHBondContact O-N 3.48Å; Q288-L292 WeakPolarHBondContact O-CB 3.34Å; Q288-L292 WeakPolarHBondContact O-CG 3.37Å; Q288-L292 PolarHBondContact O-N 3.34Å; Q288-C566 VanDerWaalsContact CB-SG 3.57Å; Q288-N570 HydrophobicContact CG-CB 4.27Å
289	K	94	Very high	93.4	Very high	148 Å²	148	45.9 Å²	45.9	64%	0.643	22%	0.221	S	C	*	.	H	α-helix	trans	-63.1	-34.6	176.3	-172	169.4	-176.6	170.5	0	112.7	Q285 R286 I287 A293	Q285-K289 VanDerWaalsContact O-CB 3.31Å; Q285-K289 WeakPolarHBondContact O-CB 3.49Å; Q285-K289 PolarHBondContact O-N 2.95Å; R286-K289 PolarHBondContact O-N 2.99Å; I287-K289 VanDerWaalsContact C-N 3.32Å; I287-K289 PolarHBondContact O-N 3.04Å; K289-A293 WeakPolarHBondContact O-CB 3.46Å; K289-A293 PolarHBondContact O-N 2.96Å; K289-A293 VanDerWaalsContact O-N 3.07Å
290	L	95.9	Very high	93.8	Very high	18 Å²	18	42 Å²	42	9%	0.094	20%	0.197	C	C	.	.	H	α-helix	trans	-67.8	-46.2	174.6	-70.7	166.6	0	0	0	111.7	R286 I287 Q288 A293 G294 R295 E298 A299 A302	R286-L290 WeakPolarHBondContact O-CG 3.36Å; R286-L290 PolarHBondContact O-N 3.47Å; R286-L290 VanDerWaalsContact O-N 3.16Å; I287-L290 WeakPolarHBondContact O-CB 3.44Å; I287-L290 PolarHBondContact O-N 3.45Å; I287-L290 VanDerWaalsContact O-N 3.08Å; Q288-L290 VanDerWaalsContact C-N 3.32Å; Q288-L290 PolarHBondContact O-N 2.87Å; L290-A293 PolarHBondContact O-N 3.48Å; L290-G294 PolarHBondContact O-N 2.95Å; L290-R295 HydrophobicContact CB-CB 4.48Å; L290-R295 HydrophobicContact CD2-CB 4.04Å; L290-R295 PolarHBondContact O-N 3.1Å; L290-E298 HydrophobicContact CD1-CB 4.16Å; L290-E298 HydrophobicContact CD2-CB 4.1Å; L290-A299 HydrophobicContact CB-CB 3.84Å; L290-A302 HydrophobicContact CD1-CB 4.18Å
291	V	95.6	Very high	94.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-50	176.7	-179.7	0	0	0	0	111.3	I287 Q288 A293 G294 A299 R562 L565 C566 L569	I287-V291 PolarHBondContact O-N 3.46Å; Q288-V291 PolarHBondContact O-N 3.48Å; V291-A293 VanDerWaalsContact C-N 3.27Å; V291-A293 PolarHBondContact O-N 3.23Å; V291-G294 PolarHBondContact O-N 2.99Å; V291-A299 HydrophobicContact CG2-CB 3.51Å; V291-R562 WeakPolarHBondContact O-CD 3.41Å; V291-L565 HydrophobicContact CG1-CD2 4.35Å; V291-C566 HydrophobicContact CB-CB 4.26Å; V291-C566 HydrophobicContact CG1-CB 3.85Å; V291-L569 HydrophobicContact CG2-CD2 3.97Å
292	L	93.6	Very high	94.5	Very high	79 Å²	79	45.6 Å²	45.6	41%	0.414	22%	0.217	S	C	.	.	H	α-helix	trans	-65.6	-29.1	-179	-66.1	172.9	0	0	0	112.8	Q288 G294 R562 E563 C566	Q288-L292 WeakPolarHBondContact O-CB 3.34Å; Q288-L292 WeakPolarHBondContact O-CG 3.37Å; Q288-L292 PolarHBondContact O-N 3.34Å; L292-G294 VanDerWaalsContact C-N 3.25Å; L292-G294 PolarHBondContact O-N 3.45Å; L292-R562 HydrophobicContact CD2-CB 4.24Å; L292-R562 WeakPolarHBondContact O-CD 3.43Å; L292-R562 PolarHBondContact O-NH1 3.25Å; L292-E563 HydrophobicContact CD2-CG 4.14Å; L292-C566 HydrophobicContact CD2-CB 4.03Å; L292-C566 HydrophobicContact CG-CB 4.31Å
293	A	93.1	Very high	94.8	Very high	50 Å²	50	40.1 Å²	40.1	41%	0.413	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.1	172.3	0	0	0	0	0	114.2	K289 L290 V291 R295	K289-A293 WeakPolarHBondContact O-CB 3.46Å; K289-A293 PolarHBondContact O-N 2.96Å; K289-A293 VanDerWaalsContact O-N 3.07Å; L290-A293 PolarHBondContact O-N 3.48Å; V291-A293 VanDerWaalsContact C-N 3.27Å; V291-A293 PolarHBondContact O-N 3.23Å; A293-R295 VanDerWaalsContact C-N 3.34Å
294	G	93.3	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	11.2	-175.4	0	0	0	0	0	114.6	L290 V291 L292 V296 E328 D334	L290-G294 PolarHBondContact O-N 2.95Å; V291-G294 PolarHBondContact O-N 2.99Å; L292-G294 VanDerWaalsContact C-N 3.25Å; L292-G294 PolarHBondContact O-N 3.45Å; G294-V296 VanDerWaalsContact C-N 3.3Å; G294-V296 PolarHBondContact O-N 3.14Å; G294-E328 WeakPolarHBondContact O-CB 3.17Å; G294-D334 WeakPolarHBondContact O-CA 3.48Å; G294-D334 PolarHBondContact O-N 3.29Å
295	R	94.6	Very high	95	Very high	96 Å²	96	48.4 Å²	48.4	36%	0.362	23%	0.23	S	C	.	.			trans	-92.7	62	176.5	-65.3	167.4	68.7	175.3	5.3	109.6	L290 A293 E298 A299	L290-R295 HydrophobicContact CB-CB 4.48Å; L290-R295 HydrophobicContact CD2-CB 4.04Å; L290-R295 PolarHBondContact O-N 3.1Å; A293-R295 VanDerWaalsContact C-N 3.34Å; R295-E298 IonicContact CZ-OE1 2.72Å; R295-E298 VanDerWaalsContact CZ-OE1 3.22Å; R295-E298 IonicContact CZ-OE2 3.75Å; R295-E298 IonicContact NE-OE1 3.85Å; R295-E298 PolarHBondContact NE-OE1 3.5Å; R295-E298 IonicContact NE-OE2 3.99Å; R295-E298 IonicContact NH2-OE1 3.13Å; R295-E298 PolarHBondContact NH2-OE1 2.98Å; R295-E298 IonicContact NH2-OE2 2.93Å; R295-E298 PolarHBondContact NH2-OE2 3.05Å; R295-E298 PolarHBondContact O-N 3.29Å; R295-A299 PolarHBondContact O-N 3.05Å; R295-A299 VanDerWaalsContact O-N 3.11Å
296	V	94.9	Very high	95.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-72	-32.2	-170.4	-174.4	0	0	0	0	111.4	G294 A299 I300 L321 R324 Q325 E328 D334	G294-V296 VanDerWaalsContact C-N 3.3Å; G294-V296 PolarHBondContact O-N 3.14Å; V296-A299 WeakPolarHBondContact O-CB 3.43Å; V296-A299 PolarHBondContact O-N 3.32Å; V296-I300 HydrophobicContact CG1-CD1 4.31Å; V296-I300 WeakPolarHBondContact O-CG1 3.48Å; V296-I300 PolarHBondContact O-N 3.48Å; V296-L321 HydrophobicContact CG1-CB 4.49Å; V296-L321 HydrophobicContact CG1-CD2 4.16Å; V296-L321 WeakPolarHBondContact CG1-O 3.28Å; V296-R324 HydrophobicContact CG2-CG 4.01Å; V296-Q325 HydrophobicContact CB-CB 4.03Å; V296-Q325 HydrophobicContact CB-CG 4.41Å; V296-Q325 HydrophobicContact CG1-CB 4.02Å; V296-E328 HydrophobicContact CG2-CG 3.94Å; V296-D334 PolarHBondContact N-OD2 3.07Å
297	G	93.9	Very high	95.2	Very high	6 Å²	6	41 Å²	41	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-53.5	172.3	0	0	0	0	0	112.4	A299 I300 D301 D334	G297-A299 VanDerWaalsContact C-N 3.27Å; G297-A299 PolarHBondContact O-N 3.42Å; G297-I300 WeakPolarHBondContact O-CB 3.44Å; G297-I300 PolarHBondContact O-N 2.89Å; G297-I300 VanDerWaalsContact O-N 3.1Å; G297-D301 PolarHBondContact O-N 2.97Å; G297-D334 PolarHBondContact N-OD2 3.46Å
298	E	95.3	Very high	95.2	Very high	53 Å²	53	46 Å²	46	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-28	176.9	-72.4	175.5	-98.8	0	0	113.4	L290 R295 A302 S335	L290-E298 HydrophobicContact CD1-CB 4.16Å; L290-E298 HydrophobicContact CD2-CB 4.1Å; R295-E298 IonicContact CZ-OE1 2.72Å; R295-E298 VanDerWaalsContact CZ-OE1 3.22Å; R295-E298 IonicContact CZ-OE2 3.75Å; R295-E298 IonicContact NE-OE1 3.85Å; R295-E298 PolarHBondContact NE-OE1 3.5Å; R295-E298 IonicContact NE-OE2 3.99Å; R295-E298 IonicContact NH2-OE1 3.13Å; R295-E298 PolarHBondContact NH2-OE1 2.98Å; R295-E298 IonicContact NH2-OE2 2.93Å; R295-E298 PolarHBondContact NH2-OE2 3.05Å; R295-E298 PolarHBondContact O-N 3.29Å; E298-A302 WeakPolarHBondContact O-CB 3.46Å; E298-A302 PolarHBondContact O-N 3.33Å; E298-S335 WeakPolarHBondContact CG-OG 3.41Å; E298-S335 WeakPolarHBondContact OE1-CB 3.24Å; E298-S335 PolarHBondContact OE1-OG 3.29Å
299	A	96.8	Very high	95.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-38.5	173	0	0	0	0	0	111.6	I287 L290 V291 R295 V296 G297 T303	I287-A299 HydrophobicContact CG2-CB 4.48Å; L290-A299 HydrophobicContact CB-CB 3.84Å; V291-A299 HydrophobicContact CG2-CB 3.51Å; R295-A299 PolarHBondContact O-N 3.05Å; R295-A299 VanDerWaalsContact O-N 3.11Å; V296-A299 WeakPolarHBondContact O-CB 3.43Å; V296-A299 PolarHBondContact O-N 3.32Å; G297-A299 VanDerWaalsContact C-N 3.27Å; G297-A299 PolarHBondContact O-N 3.42Å; A299-T303 WeakPolarHBondContact O-CB 3.31Å; A299-T303 PolarHBondContact O-N 3.48Å; A299-T303 PolarHBondContact O-OG1 2.79Å
300	I	96.1	Very high	95.2	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-52.1	173.5	-66.9	163	0	0	0	109.6	V296 G297 A302 T303 Q304 L311 L318 L321 K322	V296-I300 HydrophobicContact CG1-CD1 4.31Å; V296-I300 WeakPolarHBondContact O-CG1 3.48Å; V296-I300 PolarHBondContact O-N 3.48Å; G297-I300 WeakPolarHBondContact O-CB 3.44Å; G297-I300 PolarHBondContact O-N 2.89Å; G297-I300 VanDerWaalsContact O-N 3.1Å; I300-A302 PolarHBondContact O-N 2.85Å; I300-T303 WeakPolarHBondContact O-CA 3.26Å; I300-T303 WeakPolarHBondContact O-CB 3.42Å; I300-T303 PolarHBondContact O-N 3.33Å; I300-T303 VanDerWaalsContact O-N 3.08Å; I300-Q304 PolarHBondContact O-N 3.37Å; I300-L311 HydrophobicContact CB-CD1 4.48Å; I300-L311 HydrophobicContact CG2-CD1 3.84Å; I300-L318 HydrophobicContact CG2-CD1 4.45Å; I300-L321 HydrophobicContact CD1-CB 3.95Å; I300-L321 HydrophobicContact CG1-CB 3.98Å; I300-L321 HydrophobicContact CG1-CD1 4.29Å; I300-K322 HydrophobicContact CD1-CD 3.92Å; I300-K322 HydrophobicContact CD1-CG 4.4Å
301	D	95.7	Very high	95.2	Very high	81 Å²	81	38.6 Å²	38.6	43%	0.433	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-45.8	-179	-63.3	-18.7	0	0	0	111.9	G297 T303 Q304 Q305	G297-D301 PolarHBondContact O-N 2.97Å; D301-T303 VanDerWaalsContact C-N 3.29Å; D301-T303 PolarHBondContact O-N 3.38Å; D301-Q304 PolarHBondContact O-N 3.06Å; D301-Q305 WeakPolarHBondContact O-CB 3.42Å; D301-Q305 VanDerWaalsContact O-CG 3.29Å; D301-Q305 WeakPolarHBondContact O-CG 3.16Å; D301-Q305 PolarHBondContact O-N 3.03Å
302	A	96.8	Very high	95.1	Very high	8 Å²	8	43.5 Å²	43.5	7%	0.066	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-35.4	176.2	0	0	0	0	0	112	I287 L290 E298 I300 L306	I287-A302 HydrophobicContact CG1-CB 4.09Å; L290-A302 HydrophobicContact CD1-CB 4.18Å; E298-A302 WeakPolarHBondContact O-CB 3.46Å; E298-A302 PolarHBondContact O-N 3.33Å; I300-A302 PolarHBondContact O-N 2.85Å; A302-L306 VanDerWaalsContact O-CB 3.27Å; A302-L306 WeakPolarHBondContact O-CB 3.1Å; A302-L306 VanDerWaalsContact O-CG 3.26Å; A302-L306 WeakPolarHBondContact O-CG 3.35Å; A302-L306 PolarHBondContact O-N 3.5Å
303	T	97.1	Very high	95.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.2	-46	174.3	-58.1	0	0	0	0	110.9	A299 I300 D301 Q305 L306 Y307 L310 L311 L569	A299-T303 WeakPolarHBondContact O-CB 3.31Å; A299-T303 PolarHBondContact O-N 3.48Å; A299-T303 PolarHBondContact O-OG1 2.79Å; I300-T303 WeakPolarHBondContact O-CA 3.26Å; I300-T303 WeakPolarHBondContact O-CB 3.42Å; I300-T303 PolarHBondContact O-N 3.33Å; I300-T303 VanDerWaalsContact O-N 3.08Å; D301-T303 VanDerWaalsContact C-N 3.29Å; D301-T303 PolarHBondContact O-N 3.38Å; T303-Q305 VanDerWaalsContact C-N 3.32Å; T303-Q305 PolarHBondContact O-N 2.89Å; T303-L306 PolarHBondContact O-N 3.37Å; T303-Y307 CarbonylContact O-C 3.54Å; T303-Y307 WeakPolarHBondContact O-CA 3.47Å; T303-Y307 WeakPolarHBondContact O-CB 3.32Å; T303-Y307 PolarHBondContact O-N 3.16Å; T303-L310 HydrophobicContact CG2-CD1 4.36Å; T303-L310 HydrophobicContact CG2-CD2 4.2Å; T303-L311 HydrophobicContact CG2-CD1 4.18Å; T303-L311 HydrophobicContact CG2-CD2 4.29Å; T303-L311 HydrophobicContact CG2-CG 4.04Å; T303-L569 HydrophobicContact CG2-CD1 4.02Å
304	Q	95.8	Very high	95.1	Very high	72 Å²	72	50.1 Å²	50.1	34%	0.336	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-33.8	179	-68.8	-178.1	-60.2	0	0	112.8	I300 D301 P308 L311 E312	I300-Q304 PolarHBondContact O-N 3.37Å; D301-Q304 PolarHBondContact O-N 3.06Å; Q304-P308 WeakPolarHBondContact O-CA 3.26Å; Q304-L311 HydrophobicContact CG-CD1 3.91Å; Q304-E312 PolarHBondContact NE2-OE1 2.85Å
305	Q	96.3	Very high	95.1	Very high	147 Å²	147	51.5 Å²	51.5	69%	0.687	25%	0.254	S	S	*	.	H	α-helix	trans	-72.5	-42.7	176.1	-71.8	173.5	16.3	0	0	113	D301 T303	D301-Q305 WeakPolarHBondContact O-CB 3.42Å; D301-Q305 VanDerWaalsContact O-CG 3.29Å; D301-Q305 WeakPolarHBondContact O-CG 3.16Å; D301-Q305 PolarHBondContact O-N 3.03Å; T303-Q305 VanDerWaalsContact C-N 3.32Å; T303-Q305 PolarHBondContact O-N 2.89Å
306	L	95.8	Very high	95	Very high	60 Å²	60	50.8 Å²	50.8	31%	0.314	26%	0.258	S	S	.	.	H	α-helix	trans	-88.1	-26.3	-174.7	-64.2	169.3	0	0	0	113	N283 I287 A302 T303	N283-L306 HydrophobicContact CB-CD1 4.07Å; I287-L306 HydrophobicContact CD1-CD1 4.18Å; I287-L306 HydrophobicContact CG1-CD1 4.47Å; A302-L306 VanDerWaalsContact O-CB 3.27Å; A302-L306 WeakPolarHBondContact O-CB 3.1Å; A302-L306 VanDerWaalsContact O-CG 3.26Å; A302-L306 WeakPolarHBondContact O-CG 3.35Å; A302-L306 PolarHBondContact O-N 3.5Å; T303-L306 PolarHBondContact O-N 3.37Å
307	Y	95.6	Very high	95	Very high	21 Å²	21	51.6 Å²	51.6	8%	0.082	26%	0.262	C	S	.	.	S	Bend	trans	-135.4	68.1	-177.8	-54	-81.9	0	0	0	111.1	N283 I287 T303 G309 L310 I573 Q577	N283-Y307 WeakPolarHBondContact CB-OH 3.48Å; I287-Y307 HydrophobicContact CD1-CD2 3.98Å; I287-Y307 HydrophobicContact CD1-CE2 3.66Å; T303-Y307 CarbonylContact O-C 3.54Å; T303-Y307 WeakPolarHBondContact O-CA 3.47Å; T303-Y307 WeakPolarHBondContact O-CB 3.32Å; T303-Y307 PolarHBondContact O-N 3.16Å; Y307-G309 PolarHBondContact O-N 2.94Å; Y307-L310 HydrophobicContact CG-CD1 4.31Å; Y307-L310 VanDerWaalsContact O-CB 3.23Å; Y307-L310 WeakPolarHBondContact O-CB 3.29Å; Y307-L310 PolarHBondContact O-N 3.34Å; Y307-I573 HydrophobicContact CD1-CG2 3.85Å; Y307-I573 HydrophobicContact CD2-CD1 4.34Å; Y307-I573 HydrophobicContact CD2-CG1 4.21Å; Y307-I573 HydrophobicContact CD2-CG2 4.08Å; Y307-I573 HydrophobicContact CE1-CG2 3.44Å; Y307-I573 VanDerWaalsContact CE1-CG2 3.44Å; Y307-I573 HydrophobicContact CE2-CD1 4.23Å; Y307-I573 HydrophobicContact CE2-CG1 4.37Å; Y307-I573 HydrophobicContact CE2-CG2 3.7Å; Y307-I573 HydrophobicContact CG-CG2 4.15Å; Y307-Q577 HydrophobicContact CE1-CG 4.33Å
308	P	95.3	Very high	95	Very high	105 Å²	105	53 Å²	53	68%	0.682	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	134.7	-174.5	-22.7	33.9	0	0	0	113	Q304 L310	Q304-P308 WeakPolarHBondContact O-CA 3.26Å; P308-L310 VanDerWaalsContact C-N 3.32Å
309	G	92.9	Very high	95	Very high	24 Å²	24	50.5 Å²	50.5	25%	0.247	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-4.1	-179.3	0	0	0	0	0	114.7	Y307 E312 R313	Y307-G309 PolarHBondContact O-N 2.94Å; G309-E312 WeakPolarHBondContact CA-OE2 3.42Å; G309-E312 PolarHBondContact N-OE2 3.32Å; G309-R313 WeakPolarHBondContact O-CB 3.44Å; G309-R313 VanDerWaalsContact O-CD 3.29Å; G309-R313 WeakPolarHBondContact O-CD 3.47Å; G309-R313 WeakPolarHBondContact O-CG 3.36Å; G309-R313 PolarHBondContact O-N 2.98Å
310	L	95.7	Very high	94.9	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-50.2	-178.8	-176.4	161.5	0	0	0	111.8	T303 Y307 P308 E312 R313 N314 L317 A572 I573	T303-L310 HydrophobicContact CG2-CD1 4.36Å; T303-L310 HydrophobicContact CG2-CD2 4.2Å; Y307-L310 HydrophobicContact CG-CD1 4.31Å; Y307-L310 VanDerWaalsContact O-CB 3.23Å; Y307-L310 WeakPolarHBondContact O-CB 3.29Å; Y307-L310 PolarHBondContact O-N 3.34Å; P308-L310 VanDerWaalsContact C-N 3.32Å; L310-E312 PolarHBondContact N-OE2 2.93Å; L310-R313 PolarHBondContact O-N 2.89Å; L310-N314 WeakPolarHBondContact O-CB 3.48Å; L310-N314 PolarHBondContact O-N 3.41Å; L310-N314 PolarHBondContact O-ND2 2.66Å; L310-L317 HydrophobicContact CD2-CD2 4.27Å; L310-A572 HydrophobicContact CD2-CB 4.35Å; L310-I573 HydrophobicContact CD1-CB 4.2Å; L310-I573 HydrophobicContact CD1-CG1 3.63Å
311	L	95.1	Very high	94.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-75.3	-31.4	-175.8	-65.5	-178.6	0	0	0	111.6	I300 T303 Q304 R313 N314 L317 L318 L321 L569	I300-L311 HydrophobicContact CB-CD1 4.48Å; I300-L311 HydrophobicContact CG2-CD1 3.84Å; T303-L311 HydrophobicContact CG2-CD1 4.18Å; T303-L311 HydrophobicContact CG2-CD2 4.29Å; T303-L311 HydrophobicContact CG2-CG 4.04Å; Q304-L311 HydrophobicContact CG-CD1 3.91Å; L311-R313 VanDerWaalsContact C-N 3.3Å; L311-R313 PolarHBondContact O-N 2.97Å; L311-N314 CarbonylContact O-C 3.56Å; L311-N314 PolarHBondContact O-N 3.49Å; L311-N314 VanDerWaalsContact O-N 3.11Å; L311-L317 HydrophobicContact CD2-CD2 4.21Å; L311-L317 HydrophobicContact CD2-CG 4.34Å; L311-L318 HydrophobicContact CB-CB 4.29Å; L311-L318 HydrophobicContact CB-CD1 4.3Å; L311-L318 HydrophobicContact CD1-CD1 4.11Å; L311-L321 HydrophobicContact CD1-CD1 4.4Å; L311-L321 HydrophobicContact CD2-CD1 3.66Å; L311-L569 HydrophobicContact CD2-CD1 4.43Å
312	E	92.7	Very high	94.9	Very high	103 Å²	103	52 Å²	52	48%	0.481	26%	0.261	S	S	.	.	H	α-helix	trans	-65.1	-34.1	174.6	-61.2	71.2	-158	0	0	111.5	Q304 G309 L310	Q304-E312 PolarHBondContact NE2-OE1 2.85Å; G309-E312 WeakPolarHBondContact CA-OE2 3.42Å; G309-E312 PolarHBondContact N-OE2 3.32Å; L310-E312 PolarHBondContact N-OE2 2.93Å
313	R	93.8	Very high	94.8	Very high	209 Å²	209	51.8 Å²	51.8	79%	0.789	26%	0.258	S	S	*	.	H	α-helix	trans	-80.2	-16.9	172.7	-69.5	169.7	-168.2	-152.3	4.3	113.5	G309 L310 L311 P315	G309-R313 WeakPolarHBondContact O-CB 3.44Å; G309-R313 VanDerWaalsContact O-CD 3.29Å; G309-R313 WeakPolarHBondContact O-CD 3.47Å; G309-R313 WeakPolarHBondContact O-CG 3.36Å; G309-R313 PolarHBondContact O-N 2.98Å; L310-R313 PolarHBondContact O-N 2.89Å; L311-R313 VanDerWaalsContact C-N 3.3Å; L311-R313 PolarHBondContact O-N 2.97Å; R313-P315 WeakPolarHBondContact O-CD 3.34Å
314	N	94	Very high	94.7	Very high	58 Å²	58	52.6 Å²	52.6	31%	0.31	26%	0.261	S	S	.	.			trans	-122.6	64.8	-175.8	-70	-80	0	0	0	111.4	L310 L311 N316 L317 L318	L310-N314 WeakPolarHBondContact O-CB 3.48Å; L310-N314 PolarHBondContact O-N 3.41Å; L310-N314 PolarHBondContact O-ND2 2.66Å; L311-N314 CarbonylContact O-C 3.56Å; L311-N314 PolarHBondContact O-N 3.49Å; L311-N314 VanDerWaalsContact O-N 3.11Å; N314-N316 VanDerWaalsContact C-N 3.26Å; N314-N316 PolarHBondContact O-N 3.46Å; N314-L317 HydrophobicContact CB-CB 3.99Å; N314-L317 HydrophobicContact CB-CD2 4.48Å; N314-L317 PolarHBondContact O-N 3.32Å; N314-L318 PolarHBondContact O-N 3.39Å
315	P	92.7	Very high	94.7	Very high	30 Å²	30	49.5 Å²	49.5	20%	0.195	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-34.3	-174.3	20.9	-32.6	0	0	0	113.6	R313 L318 F319 L522 Y526	R313-P315 WeakPolarHBondContact O-CD 3.34Å; P315-L318 PolarHBondContact O-N 2.85Å; P315-F319 WeakPolarHBondContact O-CB 3.14Å; P315-F319 PolarHBondContact O-N 3.46Å; P315-L522 HydrophobicContact CB-CD2 3.68Å; P315-Y526 HydrophobicContact CG-CE2 4.16Å
316	N	92.4	Very high	94.6	Very high	81 Å²	81	42.5 Å²	42.5	43%	0.433	21%	0.214	S	C	.	.	H	α-helix	trans	-64.8	-41.3	175.6	-64.2	-28.8	0	0	0	112.1	N314 F319 M320 H532	N314-N316 VanDerWaalsContact C-N 3.26Å; N314-N316 PolarHBondContact O-N 3.46Å; N316-F319 PolarHBondContact O-N 3.02Å; N316-M320 VanDerWaalsContact O-CG 3.3Å; N316-M320 WeakPolarHBondContact O-CG 3.31Å; N316-M320 PolarHBondContact O-N 3.14Å; N316-H532 PolarHBondContact OD1-CE1 2.91Å
317	L	94.8	Very high	94.5	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-68.4	-43	177.2	176.4	62.4	0	0	0	111.1	L310 L311 N314 F319 M320 L321 L565 A568 L569 A572	L310-L317 HydrophobicContact CD2-CD2 4.27Å; L311-L317 HydrophobicContact CD2-CD2 4.21Å; L311-L317 HydrophobicContact CD2-CG 4.34Å; N314-L317 HydrophobicContact CB-CB 3.99Å; N314-L317 HydrophobicContact CB-CD2 4.48Å; N314-L317 PolarHBondContact O-N 3.32Å; L317-F319 VanDerWaalsContact C-N 3.29Å; L317-F319 PolarHBondContact O-N 3.43Å; L317-M320 PolarHBondContact O-N 2.88Å; L317-L321 HydrophobicContact CD1-CD1 4.31Å; L317-L321 HydrophobicContact CD1-CG 4.4Å; L317-L321 HydrophobicContact CG-CD1 4.03Å; L317-L321 WeakPolarHBondContact O-CB 3.09Å; L317-L321 WeakPolarHBondContact O-CG 3.28Å; L317-L321 PolarHBondContact O-N 3.36Å; L317-L565 HydrophobicContact CD1-CD1 4.49Å; L317-A568 HydrophobicContact CD1-CB 4.22Å; L317-L569 HydrophobicContact CD1-CB 4.48Å; L317-L569 HydrophobicContact CD2-CD1 4.06Å; L317-A572 HydrophobicContact CD2-CB 3.48Å; L317-A572 VanDerWaalsContact CD2-CB 3.48Å
318	L	95.3	Very high	94.3	Very high	36 Å²	36	38.9 Å²	38.9	19%	0.188	20%	0.197	C	C	.	.	H	α-helix	trans	-58.2	-43	173.7	177.1	58.7	0	0	0	111.2	I300 L311 N314 P315 L321 K322	I300-L318 HydrophobicContact CG2-CD1 4.45Å; L311-L318 HydrophobicContact CB-CB 4.29Å; L311-L318 HydrophobicContact CB-CD1 4.3Å; L311-L318 HydrophobicContact CD1-CD1 4.11Å; N314-L318 PolarHBondContact O-N 3.39Å; P315-L318 PolarHBondContact O-N 2.85Å; L318-L321 PolarHBondContact O-N 3.45Å; L318-K322 HydrophobicContact CD1-CG 4.2Å; L318-K322 WeakPolarHBondContact O-CG 3.39Å; L318-K322 PolarHBondContact O-N 3.18Å
319	F	94.8	Very high	94.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-47.4	175.3	-174.2	-101.6	0	0	0	112.3	P315 N316 L317 L321 K322 C323 L515 L518 L522 H532 L536	P315-F319 WeakPolarHBondContact O-CB 3.14Å; P315-F319 PolarHBondContact O-N 3.46Å; N316-F319 PolarHBondContact O-N 3.02Å; L317-F319 VanDerWaalsContact C-N 3.29Å; L317-F319 PolarHBondContact O-N 3.43Å; F319-L321 VanDerWaalsContact C-N 3.32Å; F319-L321 PolarHBondContact O-N 2.92Å; F319-K322 PolarHBondContact O-N 2.98Å; F319-C323 WeakPolarHBondContact CE1-SG 3.16Å; F319-C323 PolarHBondContact O-N 2.84Å; F319-C323 PolarHBondContact O-SG 3.02Å; F319-L515 HydrophobicContact CD2-CD1 4.01Å; F319-L515 HydrophobicContact CE2-CD1 3.66Å; F319-L515 HydrophobicContact CZ-CD1 4.36Å; F319-L518 HydrophobicContact CD2-CD2 3.96Å; F319-L518 HydrophobicContact CD2-CG 4.06Å; F319-L522 HydrophobicContact CB-CD1 3.79Å; F319-L522 HydrophobicContact CD2-CD1 3.83Å; F319-L522 HydrophobicContact CG-CD1 3.94Å; F319-H532 HydrophobicContact CD1-CB 4.08Å; F319-H532 AromaticContact CD1-CD2 3.62Å; F319-H532 AromaticContact CD1-CE1 3.74Å; F319-H532 AromaticContact CD1-CG 3.53Å; F319-H532 AromaticContact CD1-ND1 3.6Å; F319-H532 AromaticContact CD1-NE2 3.78Å; F319-H532 HydrophobicContact CE1-CB 3.47Å; F319-H532 VanDerWaalsContact CE1-CB 3.47Å; F319-H532 AromaticContact CE1-CD2 3.89Å; F319-H532 AromaticContact CE1-CG 3.47Å; F319-H532 VanDerWaalsContact CE1-CG 3.47Å; F319-H532 AromaticContact CE1-ND1 3.85Å; F319-H532 HydrophobicContact CZ-CB 4.08Å; F319-L536 HydrophobicContact CE2-CD2 4.37Å; F319-L536 HydrophobicContact CZ-CD1 3.99Å; F319-L536 HydrophobicContact CZ-CD2 3.83Å; F319-L536 HydrophobicContact CZ-CG 3.77Å
320	M	94.8	Very high	94	Very high	64 Å²	64	32.8 Å²	32.8	32%	0.315	15%	0.153	S	C	.	.	H	α-helix	trans	-59.2	-41.5	175.5	-69.8	174.8	65.7	0	0	112.3	N316 L317 C323 R324 M535 L565	N316-M320 VanDerWaalsContact O-CG 3.3Å; N316-M320 WeakPolarHBondContact O-CG 3.31Å; N316-M320 PolarHBondContact O-N 3.14Å; L317-M320 PolarHBondContact O-N 2.88Å; M320-C323 PolarHBondContact O-N 3.35Å; M320-R324 PolarHBondContact O-N 3.45Å; M320-M535 HydrophobicContact CB-CE 4.17Å; M320-M535 HydrophobicContact CG-CE 3.94Å; M320-M535 HydrophobicContact CG-SD 4.1Å; M320-L565 HydrophobicContact CB-CD1 3.84Å; M320-L565 HydrophobicContact CE-CD1 4.43Å
321	L	95.9	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.6	-44	174.8	-73.7	162.8	0	0	0	111.6	V296 I300 L311 L317 L318 F319 R324 Q325 L565 L569	V296-L321 HydrophobicContact CG1-CB 4.49Å; V296-L321 HydrophobicContact CG1-CD2 4.16Å; V296-L321 WeakPolarHBondContact CG1-O 3.28Å; I300-L321 HydrophobicContact CD1-CB 3.95Å; I300-L321 HydrophobicContact CG1-CB 3.98Å; I300-L321 HydrophobicContact CG1-CD1 4.29Å; L311-L321 HydrophobicContact CD1-CD1 4.4Å; L311-L321 HydrophobicContact CD2-CD1 3.66Å; L317-L321 HydrophobicContact CD1-CD1 4.31Å; L317-L321 HydrophobicContact CD1-CG 4.4Å; L317-L321 HydrophobicContact CG-CD1 4.03Å; L317-L321 WeakPolarHBondContact O-CB 3.09Å; L317-L321 WeakPolarHBondContact O-CG 3.28Å; L317-L321 PolarHBondContact O-N 3.36Å; L318-L321 PolarHBondContact O-N 3.45Å; F319-L321 VanDerWaalsContact C-N 3.32Å; F319-L321 PolarHBondContact O-N 2.92Å; L321-R324 PolarHBondContact O-N 3.27Å; L321-Q325 WeakPolarHBondContact O-CB 3.28Å; L321-Q325 PolarHBondContact O-N 3Å; L321-L565 HydrophobicContact CD2-CD1 3.95Å; L321-L565 HydrophobicContact CD2-CD2 3.95Å; L321-L565 HydrophobicContact CD2-CG 3.9Å; L321-L565 HydrophobicContact CG-CD1 4.07Å; L321-L569 HydrophobicContact CD1-CD1 4.27Å; L321-L569 HydrophobicContact CD1-CD2 4.43Å; L321-L569 HydrophobicContact CD2-CD2 4Å
322	K	95.4	Very high	93.2	Very high	52 Å²	52	34.7 Å²	34.7	23%	0.226	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-39.2	177.8	-68.9	-70.3	178.4	-168.5	0	112.5	I300 L318 F319 R324 Q325 F326 F511 L515 L518	I300-K322 HydrophobicContact CD1-CD 3.92Å; I300-K322 HydrophobicContact CD1-CG 4.4Å; L318-K322 HydrophobicContact CD1-CG 4.2Å; L318-K322 WeakPolarHBondContact O-CG 3.39Å; L318-K322 PolarHBondContact O-N 3.18Å; F319-K322 PolarHBondContact O-N 2.98Å; K322-R324 VanDerWaalsContact C-N 3.34Å; K322-R324 PolarHBondContact O-N 2.87Å; K322-Q325 PolarHBondContact O-N 2.94Å; K322-F326 PolarHBondContact O-N 2.9Å; K322-F511 HydrophobicContact CB-CZ 4.21Å; K322-F511 HydrophobicContact CD-CE2 3.93Å; K322-F511 HydrophobicContact CD-CZ 3.51Å; K322-F511 HydrophobicContact CG-CZ 4.49Å; K322-F511 WeakPolarHBondContact O-CE1 3.35Å; K322-L515 HydrophobicContact CB-CD1 3.83Å; K322-L518 HydrophobicContact CG-CD2 4.5Å
323	C	94.9	Very high	92.8	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.02	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-45	169.7	-74.6	0	0	0	0	111.9	F319 M320 F326 V327 M535	F319-C323 WeakPolarHBondContact CE1-SG 3.16Å; F319-C323 PolarHBondContact O-N 2.84Å; F319-C323 PolarHBondContact O-SG 3.02Å; M320-C323 PolarHBondContact O-N 3.35Å; C323-F326 PolarHBondContact O-N 2.88Å; C323-V327 PolarHBondContact O-N 3.42Å; C323-M535 HydrophobicContact CB-CE 3.88Å
324	R	95	Very high	92.4	Very high	16 Å²	16	21.6 Å²	21.6	6%	0.06	12%	0.118	C	C	.	.	H	α-helix	trans	-68.1	-39.7	176.3	-170.7	72.4	-164.8	174.7	2.4	112.2	V296 M320 L321 K322 F326 V327 E328 Q556 D558 L565	V296-R324 HydrophobicContact CG2-CG 4.01Å; M320-R324 PolarHBondContact O-N 3.45Å; L321-R324 PolarHBondContact O-N 3.27Å; K322-R324 VanDerWaalsContact C-N 3.34Å; K322-R324 PolarHBondContact O-N 2.87Å; R324-F326 VanDerWaalsContact C-N 3.27Å; R324-F326 PolarHBondContact O-N 3.03Å; R324-V327 PolarHBondContact O-N 3.01Å; R324-V327 VanDerWaalsContact O-N 3.07Å; R324-E328 HydrophobicContact CG-CG 4.29Å; R324-E328 IonicContact CZ-OE1 3.47Å; R324-E328 IonicContact NE-OE1 3.71Å; R324-E328 PolarHBondContact NE-OE1 2.99Å; R324-E328 IonicContact NH2-OE1 3.93Å; R324-E328 PolarHBondContact NH2-OE1 3.47Å; R324-E328 WeakPolarHBondContact O-CG 3.41Å; R324-E328 PolarHBondContact O-N 2.77Å; R324-Q556 PolarHBondContact NH1-O 2.96Å; R324-Q556 PolarHBondContact NH2-O 3.33Å; R324-D558 PolarHBondContact NH2-O 2.93Å; R324-D558 VanDerWaalsContact NH2-O 3.15Å; R324-L565 HydrophobicContact CB-CD2 3.31Å; R324-L565 HydrophobicContact CG-CD2 3.51Å
325	Q	94.9	Very high	91.3	Very high	7 Å²	7	19.9 Å²	19.9	3%	0.033	11%	0.11	C	C	.	.	H	α-helix	trans	-54.8	-45.5	175.1	-172.4	178.1	7.2	0	0	110.6	V296 L321 K322 V327 E328 M329 D334 F511	V296-Q325 HydrophobicContact CB-CB 4.03Å; V296-Q325 HydrophobicContact CB-CG 4.41Å; V296-Q325 HydrophobicContact CG1-CB 4.02Å; L321-Q325 WeakPolarHBondContact O-CB 3.28Å; L321-Q325 PolarHBondContact O-N 3Å; K322-Q325 PolarHBondContact O-N 2.94Å; Q325-V327 PolarHBondContact O-N 2.79Å; Q325-E328 PolarHBondContact O-N 2.93Å; Q325-M329 HydrophobicContact CG-SD 4.33Å; Q325-M329 VanDerWaalsContact O-CG 3.27Å; Q325-M329 WeakPolarHBondContact O-CG 3.31Å; Q325-M329 PolarHBondContact O-N 3.09Å; Q325-D334 PolarHBondContact NE2-OD1 3.23Å; Q325-D334 VanDerWaalsContact NE2-OD1 3.14Å; Q325-F511 HydrophobicContact CB-CE1 4.38Å; Q325-F511 HydrophobicContact CB-CZ 3.85Å; Q325-F511 HydrophobicContact CG-CE2 4.22Å; Q325-F511 HydrophobicContact CG-CZ 3.88Å; Q325-F511 VanDerWaalsContact OE1-CE2 3.28Å; Q325-F511 VanDerWaalsContact OE1-CZ 3.3Å
326	F	94.6	Very high	90.2	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-46.7	174.2	-178.8	-89.6	0	0	0	112.6	K322 C323 R324 E328 M329 V330 M508 F511 L515 A539 F540 L543	K322-F326 PolarHBondContact O-N 2.9Å; C323-F326 PolarHBondContact O-N 2.88Å; R324-F326 VanDerWaalsContact C-N 3.27Å; R324-F326 PolarHBondContact O-N 3.03Å; F326-E328 VanDerWaalsContact C-N 3.31Å; F326-E328 PolarHBondContact O-N 2.83Å; F326-M329 WeakPolarHBondContact O-CB 3.22Å; F326-M329 PolarHBondContact O-N 3.41Å; F326-V330 HydrophobicContact CD1-CG2 4.1Å; F326-V330 HydrophobicContact CE1-CG2 3.69Å; F326-V330 HydrophobicContact CZ-CG2 4.12Å; F326-V330 WeakPolarHBondContact O-CG2 3.25Å; F326-V330 PolarHBondContact O-N 3.12Å; F326-M508 HydrophobicContact CD2-CG 4.19Å; F326-M508 HydrophobicContact CE2-CG 3.72Å; F326-M508 HydrophobicContact CZ-CG 4.21Å; F326-M508 HydrophobicContact CZ-SD 4.49Å; F326-F511 HydrophobicContact CB-CD1 4.07Å; F326-F511 HydrophobicContact CB-CE1 3.92Å; F326-F511 HydrophobicContact CD2-CD1 4.07Å; F326-L515 HydrophobicContact CB-CD2 4Å; F326-L515 HydrophobicContact CG-CD2 4.47Å; F326-A539 HydrophobicContact CD1-CB 4.1Å; F326-A539 WeakPolarHBondContact CE1-O 3.31Å; F326-F540 HydrophobicContact CD1-CD1 4.19Å; F326-F540 HydrophobicContact CD1-CE1 4.37Å; F326-F540 HydrophobicContact CD2-CE1 4.29Å; F326-F540 AromaticContact CE1-CD1 3.7Å; F326-F540 HydrophobicContact CE1-CD1 3.7Å; F326-F540 HydrophobicContact CE1-CE1 4.2Å; F326-F540 HydrophobicContact CE2-CD1 4.23Å; F326-F540 HydrophobicContact CE2-CE1 4.1Å; F326-F540 HydrophobicContact CG-CE1 4.41Å; F326-F540 AromaticContact CZ-CD1 3.71Å; F326-F540 HydrophobicContact CZ-CD1 3.71Å; F326-F540 HydrophobicContact CZ-CE1 4.05Å; F326-L543 HydrophobicContact CZ-CD1 3.89Å; F326-L543 HydrophobicContact CZ-CD2 4.36Å; F326-L543 HydrophobicContact CZ-CG 4.14Å
327	V	93.4	Very high	89	Confident	5 Å²	5	17.9 Å²	17.9	3%	0.03	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-38.6	177.2	175.6	0	0	0	0	111.7	C323 R324 Q325 V330 N331 A539 L542 Q556 L557	C323-V327 PolarHBondContact O-N 3.42Å; R324-V327 PolarHBondContact O-N 3.01Å; R324-V327 VanDerWaalsContact O-N 3.07Å; Q325-V327 PolarHBondContact O-N 2.79Å; V327-V330 WeakPolarHBondContact O-CB 3.43Å; V327-V330 PolarHBondContact O-N 3.1Å; V327-N331 WeakPolarHBondContact O-CB 3.39Å; V327-N331 PolarHBondContact O-N 2.87Å; V327-A539 HydrophobicContact CG2-CB 3.82Å; V327-L542 HydrophobicContact CG1-CD1 4.22Å; V327-L542 HydrophobicContact CG2-CD1 4.22Å; V327-Q556 HydrophobicContact CG1-CB 4.4Å; V327-Q556 WeakPolarHBondContact CG1-O 3.47Å; V327-L557 HydrophobicContact CG1-CD2 3.88Å
328	E	92.9	Very high	87.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-76.4	-23.8	177	-58.3	-58.9	177.5	0	0	113.8	G294 V296 R324 Q325 F326 N331 G332 T333 D334 R562	G294-E328 WeakPolarHBondContact O-CB 3.17Å; V296-E328 HydrophobicContact CG2-CG 3.94Å; R324-E328 HydrophobicContact CG-CG 4.29Å; R324-E328 IonicContact CZ-OE1 3.47Å; R324-E328 IonicContact NE-OE1 3.71Å; R324-E328 PolarHBondContact NE-OE1 2.99Å; R324-E328 IonicContact NH2-OE1 3.93Å; R324-E328 PolarHBondContact NH2-OE1 3.47Å; R324-E328 WeakPolarHBondContact O-CG 3.41Å; R324-E328 PolarHBondContact O-N 2.77Å; Q325-E328 PolarHBondContact O-N 2.93Å; F326-E328 VanDerWaalsContact C-N 3.31Å; F326-E328 PolarHBondContact O-N 2.83Å; E328-N331 PolarHBondContact OE2-ND2 3.48Å; E328-G332 PolarHBondContact O-N 2.72Å; E328-T333 PolarHBondContact O-N 3.26Å; E328-T333 PolarHBondContact OE2-OG1 3.1Å; E328-D334 HydrophobicContact CB-CB 4.11Å; E328-D334 PolarHBondContact O-N 3.13Å; E328-R562 VanDerWaalsContact CD-NH2 3.33Å; E328-R562 WeakPolarHBondContact OE1-CG 3.38Å; E328-R562 IonicContact OE1-CZ 3.51Å; E328-R562 IonicContact OE1-NE 2.89Å; E328-R562 PolarHBondContact OE1-NE 2.61Å; E328-R562 IonicContact OE1-NH2 3.72Å; E328-R562 PolarHBondContact OE1-NH2 3.23Å; E328-R562 IonicContact OE2-CZ 2.67Å; E328-R562 IonicContact OE2-NE 2.75Å; E328-R562 IonicContact OE2-NH2 3.22Å; E328-R562 PolarHBondContact OE2-NH2 2.99Å
329	M	91	Very high	86	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-44.6	167.3	-69.1	172.1	83	0	0	110.8	Q325 F326 N331 G332 D334 E336 V337 C498 R507 M508 F511	Q325-M329 HydrophobicContact CG-SD 4.33Å; Q325-M329 VanDerWaalsContact O-CG 3.27Å; Q325-M329 WeakPolarHBondContact O-CG 3.31Å; Q325-M329 PolarHBondContact O-N 3.09Å; F326-M329 WeakPolarHBondContact O-CB 3.22Å; F326-M329 PolarHBondContact O-N 3.41Å; M329-N331 VanDerWaalsContact C-N 3.31Å; M329-N331 PolarHBondContact O-N 2.87Å; M329-G332 PolarHBondContact O-N 2.92Å; M329-D334 HydrophobicContact CG-CB 3.91Å; M329-E336 HydrophobicContact CE-CB 4.24Å; M329-V337 HydrophobicContact CB-CG2 3.88Å; M329-V337 HydrophobicContact CE-CG2 4.14Å; M329-V337 HydrophobicContact CG-CG2 4.03Å; M329-C498 PolarHBondContact O-SG 3.07Å; M329-C498 VanDerWaalsContact O-SG 3.38Å; M329-R507 HydrophobicContact CE-CB 4.45Å; M329-M508 HydrophobicContact CB-CB 4.44Å; M329-M508 HydrophobicContact CB-CG 4.27Å; M329-M508 HydrophobicContact CE-CB 4.24Å; M329-F511 HydrophobicContact CE-CB 4.06Å; M329-F511 HydrophobicContact CE-CG 4.35Å; M329-F511 HydrophobicContact SD-CB 4.12Å; M329-F511 HydrophobicContact SD-CD1 4.05Å; M329-F511 HydrophobicContact SD-CD2 4.07Å; M329-F511 HydrophobicContact SD-CE1 4.48Å; M329-F511 HydrophobicContact SD-CE2 4.48Å; M329-F511 HydrophobicContact SD-CG 3.82Å
330	V	89.4	Confident	84.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56	-47.1	171.3	173	0	0	0	0	110.4	F326 V327 G332 L497 C498 M508 L542 L543 P548 L557	F326-V330 HydrophobicContact CD1-CG2 4.1Å; F326-V330 HydrophobicContact CE1-CG2 3.69Å; F326-V330 HydrophobicContact CZ-CG2 4.12Å; F326-V330 WeakPolarHBondContact O-CG2 3.25Å; F326-V330 PolarHBondContact O-N 3.12Å; V327-V330 WeakPolarHBondContact O-CB 3.43Å; V327-V330 PolarHBondContact O-N 3.1Å; V330-G332 PolarHBondContact O-N 2.87Å; V330-L497 HydrophobicContact CG1-CD2 3.79Å; V330-C498 PolarHBondContact O-N 3.13Å; V330-M508 HydrophobicContact CB-SD 4.34Å; V330-M508 HydrophobicContact CG2-CG 4.38Å; V330-M508 HydrophobicContact CG2-SD 3.52Å; V330-M508 VanDerWaalsContact CG2-SD 3.52Å; V330-L542 HydrophobicContact CG1-CB 4.23Å; V330-L542 HydrophobicContact CG1-CD1 4.3Å; V330-L543 HydrophobicContact CG2-CD2 4.13Å; V330-P548 HydrophobicContact CG1-CB 4.41Å; V330-L557 HydrophobicContact CB-CD2 4.44Å; V330-L557 HydrophobicContact CG1-CD2 4.12Å
331	N	88	Confident	82.2	Confident	29 Å²	29	29.1 Å²	29.1	16%	0.155	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.4	177.4	-151.1	13.9	0	0	0	113.5	V327 E328 M329 T333 W549 L557	V327-N331 WeakPolarHBondContact O-CB 3.39Å; V327-N331 PolarHBondContact O-N 2.87Å; E328-N331 PolarHBondContact OE2-ND2 3.48Å; M329-N331 VanDerWaalsContact C-N 3.31Å; M329-N331 PolarHBondContact O-N 2.87Å; N331-T333 VanDerWaalsContact C-N 3.34Å; N331-T333 HydrophobicContact CB-CG2 4.47Å; N331-W549 PolarHBondContact OD1-NE1 3.04Å; N331-L557 HydrophobicContact CB-CD2 3.7Å; N331-L557 PolarHBondContact ND2-O 3.27Å
332	G	85.8	Confident	80.1	Confident	18 Å²	18	34.8 Å²	34.8	19%	0.186	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	15	-177.1	0	0	0	0	0	115.4	E328 M329 V330	E328-G332 PolarHBondContact O-N 2.72Å; M329-G332 PolarHBondContact O-N 2.92Å; V330-G332 PolarHBondContact O-N 2.87Å
333	T	84.4	Confident	77.4	Confident	37 Å²	37	42.7 Å²	42.7	23%	0.227	22%	0.217	C	C	.	.			trans	-95.6	-24.2	-177.7	64.3	0	0	0	0	114	E328 N331 R562	E328-T333 PolarHBondContact O-N 3.26Å; E328-T333 PolarHBondContact OE2-OG1 3.1Å; N331-T333 VanDerWaalsContact C-N 3.34Å; N331-T333 HydrophobicContact CB-CG2 4.47Å; T333-R562 PolarHBondContact OG1-NH2 3.11Å
334	D	86.5	Confident	74.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-68.8	143.3	176	-161.7	-111.7	0	0	0	111.4	G294 V296 G297 Q325 E328 M329 E336 V337 R338	G294-D334 WeakPolarHBondContact O-CA 3.48Å; G294-D334 PolarHBondContact O-N 3.29Å; V296-D334 PolarHBondContact N-OD2 3.07Å; G297-D334 PolarHBondContact N-OD2 3.46Å; Q325-D334 PolarHBondContact NE2-OD1 3.23Å; Q325-D334 VanDerWaalsContact NE2-OD1 3.14Å; E328-D334 HydrophobicContact CB-CB 4.11Å; E328-D334 PolarHBondContact O-N 3.13Å; M329-D334 HydrophobicContact CG-CB 3.91Å; D334-E336 VanDerWaalsContact C-N 3.33Å; D334-E336 PolarHBondContact O-N 3.42Å; D334-V337 PolarHBondContact O-N 3.16Å; D334-V337 VanDerWaalsContact O-N 3.13Å; D334-R338 PolarHBondContact O-N 2.89Å
335	S	70.2	Confident	71.8	Confident	21 Å²	21	53.1 Å²	53.1	15%	0.147	29%	0.289	C	S	.	.	H	α-helix	trans	-70.3	-26.8	-170.6	35.2	0	0	0	0	114	E298 V337 R338 C339	E298-S335 WeakPolarHBondContact CG-OG 3.41Å; E298-S335 WeakPolarHBondContact OE1-CB 3.24Å; E298-S335 PolarHBondContact OE1-OG 3.29Å; S335-V337 PolarHBondContact O-N 3.47Å; S335-R338 PolarHBondContact O-N 3Å; S335-C339 VanDerWaalsContact O-CB 3.3Å; S335-C339 WeakPolarHBondContact O-CB 3.37Å; S335-C339 PolarHBondContact O-N 3.24Å; S335-C339 PolarHBondContact O-SG 3.07Å
336	E	69	Low	68.9	Low	70 Å²	70	61.9 Å²	61.9	33%	0.327	33%	0.327	S	S	.	.	H	α-helix	trans	-52.4	-34.1	169.3	-82.9	-72.1	117.5	0	0	113	M329 D334 R507	M329-E336 HydrophobicContact CE-CB 4.24Å; D334-E336 VanDerWaalsContact C-N 3.33Å; D334-E336 PolarHBondContact O-N 3.42Å; E336-R507 VanDerWaalsContact CD-NH2 3.28Å; E336-R507 IonicContact OE1-NH2 2.69Å; E336-R507 PolarHBondContact OE1-NH2 2.91Å; E336-R507 VanDerWaalsContact OE1-NH2 3.13Å; E336-R507 IonicContact OE2-CZ 3.53Å; E336-R507 IonicContact OE2-NE 3.51Å; E336-R507 PolarHBondContact OE2-NE 3.32Å; E336-R507 IonicContact OE2-NH2 3.5Å; E336-R507 PolarHBondContact OE2-NH2 2.9Å
337	V	68.2	Low	66.1	Low	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-94.6	-46.6	177.8	162.8	0	0	0	0	110.8	M329 D334 S335 C339 L340 T341 C498 A504	M329-V337 HydrophobicContact CB-CG2 3.88Å; M329-V337 HydrophobicContact CE-CG2 4.14Å; M329-V337 HydrophobicContact CG-CG2 4.03Å; D334-V337 PolarHBondContact O-N 3.16Å; D334-V337 VanDerWaalsContact O-N 3.13Å; S335-V337 PolarHBondContact O-N 3.47Å; V337-C339 VanDerWaalsContact C-N 3.33Å; V337-C339 PolarHBondContact O-N 2.65Å; V337-L340 WeakPolarHBondContact O-CB 3.31Å; V337-L340 PolarHBondContact O-N 3.49Å; V337-T341 PolarHBondContact O-N 3.16Å; V337-C498 HydrophobicContact CG1-CB 3.87Å; V337-C498 WeakPolarHBondContact CG1-O 3.46Å; V337-C498 HydrophobicContact CG2-CB 4.45Å; V337-A504 HydrophobicContact CB-CB 4.24Å; V337-A504 HydrophobicContact CG1-CB 3.82Å; V337-A504 HydrophobicContact CG2-CB 4.09Å
338	R	65.1	Low	63.2	Low	149 Å²	149	74.9 Å²	74.9	56%	0.562	40%	0.4	S	S	*	.	H	α-helix	trans	-63.4	-34.1	-174.4	-168.1	176.6	179.2	175.1	0.5	113.4	D334 S335 L340 T341	D334-R338 PolarHBondContact O-N 2.89Å; S335-R338 PolarHBondContact O-N 3Å; R338-L340 PolarHBondContact O-N 2.93Å; R338-T341 PolarHBondContact O-N 3.2Å; R338-T341 PolarHBondContact O-OG1 3.23Å
339	C	61.3	Low	60.2	Low	90 Å²	90	81 Å²	81	61%	0.608	43%	0.433	S	S	*	.	H	α-helix	trans	-65.4	-23.6	175.6	-71.8	0	0	0	0	113.1	S335 V337	S335-C339 VanDerWaalsContact O-CB 3.3Å; S335-C339 WeakPolarHBondContact O-CB 3.37Å; S335-C339 PolarHBondContact O-N 3.24Å; S335-C339 PolarHBondContact O-SG 3.07Å; V337-C339 VanDerWaalsContact C-N 3.33Å; V337-C339 PolarHBondContact O-N 2.65Å
340	L	58.4	Low	57.2	Low	56 Å²	56	87 Å²	87	29%	0.293	48%	0.475	S	S	.	.	H	α-helix	trans	-84.9	-26.7	177.5	-57.4	176.1	0	0	0	112.3	V337 R338 N501 A503 A504 R507	V337-L340 WeakPolarHBondContact O-CB 3.31Å; V337-L340 PolarHBondContact O-N 3.49Å; R338-L340 PolarHBondContact O-N 2.93Å; L340-N501 PolarHBondContact O-ND2 3.17Å; L340-A503 HydrophobicContact CD1-CB 4.49Å; L340-A504 HydrophobicContact CD1-CB 4.24Å; L340-R507 HydrophobicContact CD1-CG 4.22Å
341	T	52.5	Low	54.5	Low	56 Å²	56	98.2 Å²	98.2	34%	0.344	52%	0.519	S	S	.	.	H	α-helix	trans	-76.3	-20.5	-179.3	60.2	0	0	0	0	113.8	V337 R338 N501	V337-T341 PolarHBondContact O-N 3.16Å; R338-T341 PolarHBondContact O-N 3.2Å; R338-T341 PolarHBondContact O-OG1 3.23Å; T341-N501 HydrophobicContact CG2-CB 4.22Å
342	V	50.7	Low	52.2	Low	120 Å²	120	102.5 Å²	102.5	73%	0.727	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.7	-179.1	179.2	0	0	0	0	113.1	S344	V342-S344 PolarHBondContact O-N 2.69Å
343	R	39.6	Very low	49.5	Very low	218 Å²	218	105 Å²	105	82%	0.823	57%	0.574	S	S	*	*			trans	-93.7	94.6	176.1	-73.8	-171.7	175.7	-170.7	-0.6	111.8
344	S	33.3	Very low	46.8	Very low	112 Å²	112	108.9 Å²	108.9	78%	0.783	60%	0.603	S	S	*	*			trans	-62.8	133.7	164.8	-79.8	0	0	0	0	111.1	V342 K346	V342-S344 PolarHBondContact O-N 2.69Å; S344-K346 PolarHBondContact O-N 2.89Å
345	P	39.1	Very low	44.9	Very low	125 Å²	125	114.6 Å²	114.6	81%	0.812	64%	0.64	S	S	*	*			trans	-84.1	101	-177.9	32	-33.5	0	0	0	111.8
346	K	34.5	Very low	42.8	Very low	191 Å²	191	120.3 Å²	120.3	83%	0.83	67%	0.668	S	S	*	*			trans	-141	128.7	159	-77.5	-168.1	175.9	178	0	110.9	S344	S344-K346 PolarHBondContact O-N 2.89Å
347	S	35.6	Very low	40.8	Very low	114 Å²	114	124 Å²	124	80%	0.797	69%	0.69	S	S	*	*			trans	64.1	146.5	176.7	73.1	0	0	0	0	116.7
348	Q	31.5	Very low	39	Very low	166 Å²	166	129.4 Å²	129.4	78%	0.776	73%	0.728	S	S	*	*			cis	-163	152.9	-38.3	-129	-177.5	-68.6	0	0	107.8
349	D	29.4	Very low	37.6	Very low	128 Å²	128	128.5 Å²	128.5	68%	0.684	74%	0.741	S	S	*	*			trans	24.2	115.3	154.4	-51.9	-40.4	0	0	0	120.8
350	S	29.6	Very low	36.1	Very low	127 Å²	127	135.1 Å²	135.1	89%	0.888	75%	0.753	S	S	*	*				-179.9	137	121.1	-79.1	0	0	0	0	113
351	Y	31.9	Very low	34.8	Very low	235 Å²	235	141.3 Å²	141.3	92%	0.922	78%	0.78	S	S	*	*			trans	-81.1	164.3	173.9	-100.4	-103.4	0	0	0	112.3
352	P	40.8	Very low	33.5	Very low	119 Å²	119	143 Å²	143	77%	0.773	80%	0.8	S	S	*	*			trans	-89.5	153.5	-167.7	36.1	-33	0	0	0	113.8
353	G	28.3	Very low	32.5	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	80%	0.8	S	S	*	*			trans	-162.8	51.3	-173.3	0	0	0	0	0	117.9
354	S	27.6	Very low	32.1	Very low	120 Å²	120	137.2 Å²	137.2	84%	0.839	80%	0.803	S	S	*	*			trans	55.1	-170	150.5	-44.4	0	0	0	0	116.8
355	P	46.5	Very low	31.8	Very low	120 Å²	120	135 Å²	135	78%	0.779	80%	0.799	S	S	*	*				-127	-179.8	-117	31.5	-8.4	0	0	0	116.3
356	N	26.1	Very low	31.5	Very low	140 Å²	140	135.4 Å²	135.4	75%	0.749	80%	0.799	S	S	*	*			trans	103.9	148.8	138.6	-142.1	6.2	0	0	0	119.2
357	L	27.6	Very low	31.4	Very low	147 Å²	147	135.8 Å²	135.8	77%	0.77	80%	0.803	S	S	*	*			trans	74.5	117.8	161.7	-54.3	174.6	0	0	0	120.8
358	S	29.2	Very low	31.2	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	80%	0.798	S	S	*	*			trans	-67.6	163	153.9	-45.5	0	0	0	0	111.7
359	P	36.1	Very low	31.2	Very low	129 Å²	129	137.3 Å²	137.3	84%	0.838	81%	0.805	S	S	*	*				-141.9	172.4	105.7	32.8	-16.3	0	0	0	116
360	R	29.3	Very low	31.2	Very low	230 Å²	230	136.9 Å²	136.9	87%	0.868	81%	0.812	S	S	*	*			trans	-70.9	159.6	-178.5	-65.7	166.5	154.1	-173.4	-7.6	114.1
361	H	32.3	Very low	31.1	Very low	186 Å²	186	134.5 Å²	134.5	86%	0.861	81%	0.807	S	S	*	*				-175.3	131.5	125	-86.4	-68	0	0	0	106.7
362	A	24.8	Very low	30.9	Very low	92 Å²	92	126.8 Å²	126.8	76%	0.76	80%	0.799	S	S	*	*				62.9	129.9	63.8	0	0	0	0	0	113.2
363	A	29.9	Very low	30.5	Very low	88 Å²	88	125.8 Å²	125.8	73%	0.727	80%	0.801	S	S	*	*			cis	-166.2	180	-1.6	0	0	0	0	0	111.9
364	S	30.2	Very low	30.5	Very low	127 Å²	127	131.4 Å²	131.4	89%	0.888	81%	0.808	S	S	*	*			trans	70.3	139.9	167.4	-53.6	0	0	0	0	117
365	G	28.7	Very low	30.7	Very low	67 Å²	67	130.8 Å²	130.8	69%	0.691	80%	0.804	S	S	*	*			cis	174.9	-176.1	-0	0	0	0	0	0	109.1
366	T	31.6	Very low	30.4	Very low	132 Å²	132	131.2 Å²	131.2	81%	0.81	81%	0.807	S	S	*	*			cis	-177.6	123.2	-12.9	14.6	0	0	0	0	108.5
367	H	32.5	Very low	30.7	Very low	199 Å²	199	130.8 Å²	130.8	92%	0.921	81%	0.81	S	S	*	*			trans	-155.7	152.1	158.5	-120.3	-82.1	0	0	0	112.9
368	V	31.5	Very low	30.7	Very low	115 Å²	115	130 Å²	130	70%	0.697	82%	0.815	S	S	*	*			trans	-127.7	143.2	-162.9	173.3	0	0	0	0	110.9
369	H	32	Very low	30.8	Very low	197 Å²	197	129.7 Å²	129.7	91%	0.912	81%	0.813	S	S	*	*			trans	-161.4	167.2	135.5	-97.8	-61.1	0	0	0	110.6
370	S	29.3	Very low	30.4	Very low	120 Å²	120	131.6 Å²	131.6	84%	0.839	82%	0.816	S	S	*	*			trans	-133.5	159.2	-143.6	-173.5	0	0	0	0	115.3
371	G	28	Very low	30.3	Very low	76 Å²	76	124 Å²	124	78%	0.784	81%	0.809	S	S	*	*			trans	110.9	128.7	164.9	0	0	0	0	0	114.7
372	G	26.9	Very low	30.2	Very low	73 Å²	73	122.1 Å²	122.1	75%	0.753	81%	0.811	S	S	*	*			cis	164.5	142.1	-9	0	0	0	0	0	111.9
373	A	31.8	Very low	30.5	Very low	98 Å²	98	121.8 Å²	121.8	81%	0.81	81%	0.807	S	S	*	*			trans	59.6	147.5	173.5	0	0	0	0	0	117.2
374	E	28.6	Very low	31.3	Very low	188 Å²	188	123.1 Å²	123.1	88%	0.879	81%	0.809	S	S	*	*			cis	-156.3	152.2	-4.6	-124.3	168	-148.8	0	0	108.9
375	S	31.6	Very low	32	Very low	107 Å²	107	123.1 Å²	123.1	75%	0.748	81%	0.806	S	S	*	*			trans	-107.5	164.1	166.2	-59	0	0	0	0	109
376	P	41.6	Very low	32.1	Very low	130 Å²	130	126.7 Å²	126.7	84%	0.844	81%	0.809	S	S	*	*				-145.4	152.2	97.5	35.7	-20.2	0	0	0	116.3
377	T	31.1	Very low	32.1	Very low	130 Å²	130	129.5 Å²	129.5	80%	0.798	81%	0.81	S	S	*	*			trans	-79.1	152.8	162.2	48.7	0	0	0	0	112.1
378	C	28.6	Very low	32	Very low	130 Å²	130	125.1 Å²	125.1	88%	0.878	81%	0.808	S	S	*	*			trans	-153.1	133.4	144.6	49.9	0	0	0	0	113.3
379	S	29.9	Very low	32	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	81%	0.813	S	S	*	*			trans	-98.8	153.3	165.5	-53	0	0	0	0	109.2
380	N	29.3	Very low	31.9	Very low	169 Å²	169	125.8 Å²	125.8	90%	0.904	81%	0.811	S	S	*	*			trans	178.4	148.4	135.6	-93.1	-20.1	0	0	0	111.2
381	G	26.8	Very low	32.1	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	81%	0.809	S	S	*	*			trans	-128.5	147.8	167.9	0	0	0	0	0	110.8
382	V	30.4	Very low	32	Very low	148 Å²	148	128.5 Å²	128.5	90%	0.897	81%	0.812	S	S	*	*			trans	-149.9	144.7	170.4	-177.9	0	0	0	0	109.5
383	A	30.2	Very low	32	Very low	84 Å²	84	129.2 Å²	129.2	69%	0.694	82%	0.819	S	S	*	*			trans	-140.1	176.5	162.6	0	0	0	0	0	107.8
384	P	47.6	Very low	31.8	Very low	116 Å²	116	128.6 Å²	128.6	75%	0.753	82%	0.822	S	S	*	*			cis	-122	-160.1	-12.8	36.3	-15.9	0	0	0	111.4
385	P	43.6	Very low	31.8	Very low	127 Å²	127	124.9 Å²	124.9	83%	0.825	82%	0.817	S	S	*	*				-153.6	155.5	90.7	38.5	-18.4	0	0	0	119.8
386	N	31.8	Very low	31.7	Very low	142 Å²	142	127.4 Å²	127.4	76%	0.759	82%	0.82	S	S	*	*			trans	-6.7	146.9	158.8	-93.2	-38.8	0	0	0	127.5
387	K	32.2	Very low	31.1	Very low	191 Å²	191	130.1 Å²	130.1	83%	0.83	82%	0.819	S	S	*	*			trans	83.4	118.7	135.9	-76.9	175.5	-177.8	179.6	0	123.1
388	A	29.8	Very low	30.9	Very low	107 Å²	107	134.9 Å²	134.9	88%	0.884	82%	0.824	S	S	*	*				-163.1	153.2	117.5	0	0	0	0	0	112.5
389	K	31.2	Very low	31.1	Very low	185 Å²	185	134.8 Å²	134.8	80%	0.804	82%	0.821	S	S	*	*			trans	-110.8	148.4	175.9	-81.4	-178.7	172.1	-177	0	110.9
390	V	30	Very low	31	Very low	142 Å²	142	135.3 Å²	135.3	86%	0.861	83%	0.825	S	S	*	*			trans	-141.8	151	143.7	179.6	0	0	0	0	109.2
391	H	32.6	Very low	31	Very low	171 Å²	171	132.1 Å²	132.1	79%	0.792	82%	0.822	S	S	*	*			trans	-111.7	153.5	173.6	-81.5	13.1	0	0	0	110.9
392	G	27.3	Very low	31	Very low	82 Å²	82	134.4 Å²	134.4	85%	0.845	83%	0.827	S	S	*	*			trans	-176.5	114.5	165.7	0	0	0	0	0	110.4
393	G	27	Very low	30.9	Very low	88 Å²	88	132.1 Å²	132.1	91%	0.907	82%	0.818	S	S	*	*			trans	-98.7	164.8	-174	0	0	0	0	0	114.1
394	G	26.5	Very low	30.7	Very low	85 Å²	85	132.5 Å²	132.5	88%	0.876	82%	0.815	S	S	*	*			trans	-171.3	113.2	173.2	0	0	0	0	0	111.6
395	S	28.5	Very low	29.6	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	82%	0.821	S	S	*	*			trans	-102.6	137.9	175.3	171.5	0	0	0	0	110.1
396	I	30.5	Very low	28.8	Very low	159 Å²	159	133.6 Å²	133.6	82%	0.815	82%	0.823	S	S	*	*			trans	-169.9	106.2	157.7	-93.1	138.9	0	0	0	105.3
397	K	27.9	Very low	28.7	Very low	187 Å²	187	132.5 Å²	132.5	81%	0.813	83%	0.826	S	S	*	*				67.1	105.5	83.4	-78.4	-170.2	175.2	-177.4	0	114.9
398	Y	28	Very low	28.5	Very low	231 Å²	231	129.5 Å²	129.5	91%	0.906	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-64.3	147.4	158.1	-62.1	-89.9	0	0	0	111.3
399	P	31.6	Very low	28.4	Very low	127 Å²	127	129.3 Å²	129.3	83%	0.825	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-99	123	157.9	33.4	-25.5	0	0	0	111.1
400	S	29.4	Very low	28.2	Very low	121 Å²	121	125.4 Å²	125.4	85%	0.846	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-89.6	140.7	159.1	55.3	0	0	0	0	109.8
401	A	28.5	Very low	28.1	Very low	102 Å²	102	124.5 Å²	124.5	84%	0.843	82%	0.817	S	S	*	*			trans	-143	114.5	165.9	0	0	0	0	0	111.7
402	S	26	Very low	28	Very low	117 Å²	117	121.9 Å²	121.9	82%	0.818	82%	0.819	S	S	*	*			trans	-77.6	168.1	147.5	53.9	0	0	0	0	108.3
403	S	28.1	Very low	28.2	Very low	101 Å²	101	124.2 Å²	124.2	71%	0.706	82%	0.819	S	S	*	*			cis	-158.9	178.2	17.4	56	0	0	0	0	112.5
404	S	25.8	Very low	28.3	Very low	92 Å²	92	125.2 Å²	125.2	64%	0.643	81%	0.812	S	S	*	*			trans	74.2	107.2	142.9	53.9	0	0	0	0	122.4
405	T	26.1	Very low	28.4	Very low	141 Å²	141	126.2 Å²	126.2	87%	0.865	81%	0.806	S	S	*	*			trans	57	117.4	130.5	58.2	0	0	0	0	121.8
406	S	26.1	Very low	28.3	Very low	124 Å²	124	128 Å²	128	87%	0.867	81%	0.805	S	S	*	*				-150.8	148.1	128.4	56.2	0	0	0	0	111.4
407	S	29.5	Very low	28	Very low	119 Å²	119	127.5 Å²	127.5	83%	0.832	80%	0.804	S	S	*	*			trans	-92.2	139.4	179.5	51.9	0	0	0	0	111.5
408	S	28.3	Very low	28.1	Very low	128 Å²	128	129.2 Å²	129.2	90%	0.895	81%	0.807	S	S	*	*			trans	-151.4	155.7	157.1	53.7	0	0	0	0	111.5
409	S	26.8	Very low	28.1	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	80%	0.8	S	S	*	*			trans	-107.8	164.3	-164.1	54.5	0	0	0	0	113.5
410	S	28.6	Very low	28	Very low	102 Å²	102	126 Å²	126	71%	0.713	80%	0.801	S	S	*	*			trans	57.3	112.9	146.8	59.6	0	0	0	0	119.3
411	S	28	Very low	27.9	Very low	123 Å²	123	125.7 Å²	125.7	86%	0.86	80%	0.799	S	S	*	*				-165.8	118.7	124.4	18.9	0	0	0	0	111
412	S	29.5	Very low	27.9	Very low	117 Å²	117	128.9 Å²	128.9	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-88.6	140.8	166.1	-53.4	0	0	0	0	109.1
413	P	31.5	Very low	27.9	Very low	131 Å²	131	128.9 Å²	128.9	85%	0.851	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-72.9	141.4	167.7	29.8	-30.7	0	0	0	110.3
414	S	28	Very low	28.1	Very low	108 Å²	108	129.7 Å²	129.7	76%	0.755	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77.1	148.2	-169.5	48.9	0	0	0	0	114.6
415	S	28.6	Very low	28.1	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-60	135.1	167	47.1	0	0	0	0	112.8
416	I	27.2	Very low	28.3	Very low	147 Å²	147	130.9 Å²	130.9	75%	0.754	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-90.9	117	170.3	-62.6	174.3	0	0	0	108.1
417	N	25.1	Very low	28.5	Very low	148 Å²	148	131.6 Å²	131.6	79%	0.791	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.1	128.1	172.9	-76	-13.4	0	0	0	110.1
418	Y	29.9	Very low	28.6	Very low	224 Å²	224	136 Å²	136	88%	0.878	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87.2	121.2	159.9	-83.6	-89.5	0	0	0	109.2
419	S	27.4	Very low	28.6	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	81%	0.812	S	S	*	*			trans	-98.4	102.2	169	52.6	0	0	0	0	109.1
420	E	29	Very low	28.6	Very low	181 Å²	181	139.8 Å²	139.8	85%	0.846	82%	0.819	S	S	*	*			trans	-72.5	128.3	170.7	-72.4	-175.4	146.2	0	0	110.3
421	S	27.6	Very low	29.1	Very low	115 Å²	115	139.7 Å²	139.7	80%	0.804	82%	0.816	S	S	*	*			trans	-96.5	103.5	176.3	-63.8	0	0	0	0	109.7	S423	S421-S423 PolarHBondContact O-N 3.06Å
422	N	28.7	Very low	29	Very low	168 Å²	168	143.2 Å²	143.2	90%	0.898	82%	0.818	S	S	*	*			trans	-68.6	119.8	170.3	-86.5	-29.6	0	0	0	110.7
423	S	27	Very low	28.8	Very low	118 Å²	118	143 Å²	143	83%	0.825	82%	0.816	S	S	*	*			trans	-127.1	98.3	160.1	64.2	0	0	0	0	110	S421	S421-S423 PolarHBondContact O-N 3.06Å
424	S	31.7	Very low	28.6	Very low	117 Å²	117	141.6 Å²	141.6	82%	0.818	82%	0.816	S	S	*	*			trans	-70.2	128.9	165.8	52.4	0	0	0	0	110.5
425	D	26.3	Very low	28.5	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	82%	0.82	S	S	*	*			trans	-141.1	149.4	147.6	-156	-4.2	0	0	0	110.4
426	S	29.7	Very low	28.5	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	82%	0.823	S	S	*	*			trans	-135.2	112	-170.1	-69.9	0	0	0	0	110.2
427	T	30.3	Very low	28.4	Very low	138 Å²	138	144.1 Å²	144.1	85%	0.847	82%	0.824	S	S	*	*			trans	-134.5	127.4	163.9	41.6	0	0	0	0	112.5
428	K	30.7	Very low	28.6	Very low	213 Å²	213	146.5 Å²	146.5	93%	0.926	83%	0.83	S	S	*	*			trans	-71.9	142	167.6	-82.7	174.2	167.5	175.6	0	110.3
429	S	28.3	Very low	28.4	Very low	123 Å²	123	144.5 Å²	144.5	86%	0.86	83%	0.829	S	S	*	*			trans	-157	153.1	133.2	47.4	0	0	0	0	110.8
430	Q	28.3	Very low	28.4	Very low	187 Å²	187	146.1 Å²	146.1	87%	0.874	83%	0.834	S	S	*	*			trans	-114.2	177.8	-178	-118.3	-147.4	-18.9	0	0	110.1
431	P	37.5	Very low	28.2	Very low	100 Å²	100	142 Å²	142	65%	0.649	83%	0.826	S	S	*	*			trans	-94.1	163.1	-133.8	38.1	-39.8	0	0	0	115.3
432	H	26.2	Very low	28	Very low	197 Å²	197	143.3 Å²	143.3	91%	0.912	82%	0.824	S	S	*	*			trans	-140.4	147	154	-89.3	-68.4	0	0	0	112.4
433	S	26.8	Very low	27.9	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	82%	0.818	S	S	*	*			trans	-95.2	145.5	-176.5	52.1	0	0	0	0	113.2
434	A	27.4	Very low	27.7	Very low	102 Å²	102	144.5 Å²	144.5	84%	0.843	82%	0.823	S	S	*	*			trans	-170.3	144.5	139.8	0	0	0	0	0	113.3
435	N	24.9	Very low	27.4	Very low	155 Å²	155	147.4 Å²	147.4	83%	0.829	83%	0.826	S	S	*	*			trans	-46.9	148.7	177.7	-58.1	-9.8	0	0	0	117
436	S	27.8	Very low	27.4	Very low	118 Å²	118	149.2 Å²	149.2	83%	0.825	83%	0.83	S	S	*	*				-152.9	132.9	118.2	-168	0	0	0	0	111
437	N	26	Very low	27.1	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	83%	0.831	S	S	*	*			trans	-84.6	146	172.8	-59.7	-13.3	0	0	0	109.9
438	Q	28.9	Very low	26.7	Very low	198 Å²	198	153.7 Å²	153.7	93%	0.925	83%	0.832	S	S	*	*			trans	-154.7	137.4	131.9	-157.2	134.5	25.8	0	0	110.5
439	E	25.4	Very low	26.3	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	83%	0.826	S	S	*	*			trans	-88.1	145.2	-172.8	-56.2	159.6	127.3	0	0	111.9
440	T	27.4	Very low	26	Very low	143 Å²	143	151.1 Å²	151.1	88%	0.877	83%	0.827	S	S	*	*			trans	-144.4	132	137.7	49.3	0	0	0	0	110
441	S	24.9	Very low	25.7	Very low	96 Å²	96	150.5 Å²	150.5	67%	0.671	82%	0.823	S	S	*	*			trans	-62.7	145.4	177.6	-175.5	0	0	0	0	113
442	D	23.6	Very low	24.9	Very low	142 Å²	142	156.4 Å²	156.4	76%	0.759	83%	0.834	S	S	*	*				-177.9	123.7	105.2	-89.9	-16.6	0	0	0	115.5
443	S	26.2	Very low	24.8	Very low	112 Å²	112	153.3 Å²	153.3	78%	0.783	83%	0.829	S	S	*	*			trans	46.9	97.7	141.9	-51.7	0	0	0	0	120.3
444	E	24.2	Very low	24.6	Very low	198 Å²	198	155.9 Å²	155.9	93%	0.925	83%	0.834	S	S	*	*			trans	-74.9	146	159.7	-61.8	179.3	139.3	0	0	111.6
445	M	24.6	Very low	24.3	Very low	178 Å²	178	154.7 Å²	154.7	88%	0.877	83%	0.832	S	S	*	*			trans	-146.4	102.7	163	-157.9	173.7	-158.6	0	0	110.1
446	E	25.5	Very low	24.2	Very low	190 Å²	190	153.7 Å²	153.7	89%	0.888	83%	0.831	S	S	*	*			trans	-68	140.2	170.6	-61.7	178.2	127.5	0	0	110.4
447	I	24.7	Very low	24	Very low	153 Å²	153	154.2 Å²	154.2	79%	0.785	83%	0.829	S	S	*	*			trans	-136	124	160.8	-61.3	-175.6	0	0	0	109.1
448	E	21.9	Very low	23.8	Very low	186 Å²	186	154.7 Å²	154.7	87%	0.869	83%	0.832	S	S	*	*			trans	-67.8	143.5	178.6	-58.3	168.5	129.2	0	0	111.6
449	A	22.6	Very low	23.5	Very low	98 Å²	98	147.8 Å²	147.8	81%	0.81	81%	0.814	S	S	*	*			trans	-109.9	96.3	175.2	0	0	0	0	0	110.8
450	E	20.8	Very low	23.5	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	81%	0.812	S	S	*	*			trans	-76.3	143.6	170.5	-74.4	-149.6	142.9	0	0	112.6
451	H	23.1	Very low	23.5	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.806	80%	0.803	S	S	*	*			trans	-72.5	138.1	-178.3	-68.3	-90.1	0	0	0	113.3
452	Y	20.9	Very low	23.7	Very low	224 Å²	224	141.2 Å²	141.2	88%	0.878	80%	0.798	S	S	*	*			trans	-140	139.9	142.3	-95.5	-75.1	0	0	0	112.4
453	T	22.9	Very low	24	Very low	131 Å²	131	145.1 Å²	145.1	80%	0.804	80%	0.802	S	S	*	*			trans	-81.7	138.8	-170.8	50.4	0	0	0	0	113.3
454	N	22.5	Very low	24.4	Very low	167 Å²	167	143.5 Å²	143.5	89%	0.893	78%	0.783	S	S	*	*			trans	-113.8	127.9	168.5	-98.2	-27.2	0	0	0	112
455	G	21.6	Very low	24.6	Very low	77 Å²	77	142.7 Å²	142.7	79%	0.794	78%	0.782	S	S	*	*			trans	-78.6	148.1	173.5	0	0	0	0	0	112.5
456	V	22	Very low	24.9	Very low	133 Å²	133	138.2 Å²	138.2	81%	0.806	76%	0.761	S	S	*	*			trans	-81.2	136.4	-177.4	178.8	0	0	0	0	111.1
457	V	23.8	Very low	24.9	Very low	129 Å²	129	132.6 Å²	132.6	78%	0.782	76%	0.755	S	S	*	*			trans	-134.2	125.7	154	-168.9	0	0	0	0	108.3
458	D	22.4	Very low	24.9	Very low	154 Å²	154	132 Å²	132	82%	0.824	76%	0.759	S	S	*	*			trans	-72.3	155.5	-173.6	-176	28.5	0	0	0	113.3
459	G	23.3	Very low	25.1	Very low	53 Å²	53	133.8 Å²	133.8	55%	0.546	76%	0.759	S	S	.	*			trans	156.8	86.9	-178.3	0	0	0	0	0	112.2	S461	G459-S461 PolarHBondContact O-N 3.14Å
460	S	25.5	Very low	25.2	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	76%	0.762	S	S	*	*			trans	-60.9	100.6	179.6	-173.7	0	0	0	0	113
461	S	27.1	Very low	25.5	Very low	100 Å²	100	139.2 Å²	139.2	70%	0.699	76%	0.757	S	S	*	*	S	Bend	trans	-158.2	130	154.9	-81.3	0	0	0	0	107.3	G459 R463	G459-S461 PolarHBondContact O-N 3.14Å; S461-R463 PolarHBondContact O-N 3.02Å
462	A	28.6	Very low	25.6	Very low	67 Å²	67	138.9 Å²	138.9	55%	0.554	76%	0.756	S	S	*	*			trans	-56.7	105.4	-175.2	0	0	0	0	0	111.2	I464	A462-I464 VanDerWaalsContact C-N 3.35Å; A462-I464 PolarHBondContact O-N 3.14Å
463	R	30.1	Very low	25.9	Very low	224 Å²	224	137.3 Å²	137.3	85%	0.845	76%	0.757	S	S	*	*			trans	-78.8	83.9	175.2	-66.9	-169.2	-171.3	-164.6	6.3	109.4	S461 M465	S461-R463 PolarHBondContact O-N 3.02Å; R463-M465 PolarHBondContact O-N 3.03Å
464	I	34.9	Very low	26.3	Very low	78 Å²	78	138.7 Å²	138.7	40%	0.4	76%	0.757	S	S	.	*			trans	-70.9	107.3	160.4	-51.8	176.3	0	0	0	106.4	A462 N466 M586 L589	A462-I464 VanDerWaalsContact C-N 3.35Å; A462-I464 PolarHBondContact O-N 3.14Å; I464-N466 PolarHBondContact O-N 3.48Å; I464-M586 HydrophobicContact CD1-CG 4.25Å; I464-L589 HydrophobicContact CD1-CD2 3.53Å; I464-L589 HydrophobicContact CG1-CD2 3.78Å
465	M	27.3	Very low	26.5	Very low	181 Å²	181	138.4 Å²	138.4	89%	0.892	76%	0.755	S	S	*	*			trans	-66.4	115.6	169.7	-76.3	-168	178	0	0	108.9	R463	R463-M465 PolarHBondContact O-N 3.03Å
466	N	31.6	Very low	26.8	Very low	83 Å²	83	143.2 Å²	143.2	44%	0.444	76%	0.757	S	S	.	*			trans	-73.1	130.5	162.5	-93	-26.7	0	0	0	108.9	Y253 Y259 I464 T468	Y253-N466 PolarHBondContact OH-ND2 3.12Å; Y253-N466 PolarHBondContact OH-OD1 3.44Å; Y259-N466 PolarHBondContact OH-ND2 3.07Å; I464-N466 PolarHBondContact O-N 3.48Å; N466-T468 PolarHBondContact O-N 3.22Å
467	G	25.2	Very low	27.2	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	76%	0.755	S	S	*	*			trans	-55.5	135.1	-178.9	0	0	0	0	0	112.3	Y469	G467-Y469 VanDerWaalsContact C-N 3.31Å; G467-Y469 PolarHBondContact O-N 3.21Å
468	T	25.2	Very low	27.6	Very low	141 Å²	141	143.6 Å²	143.6	87%	0.865	76%	0.756	S	S	*	*			trans	-74	78	-176.1	39.6	0	0	0	0	112	N466 R470	N466-T468 PolarHBondContact O-N 3.22Å; T468-R470 PolarHBondContact O-N 3.44Å
469	Y	25.9	Very low	27.9	Very low	223 Å²	223	144.1 Å²	144.1	88%	0.875	76%	0.759	S	S	*	*			trans	-67.9	102.8	170.7	-138.9	-90	0	0	0	109.6	G467 H471	G467-Y469 VanDerWaalsContact C-N 3.31Å; G467-Y469 PolarHBondContact O-N 3.21Å; Y469-H471 PolarHBondContact O-N 3.46Å
470	R	24.6	Very low	28.3	Very low	233 Å²	233	149.2 Å²	149.2	88%	0.879	77%	0.774	S	S	*	*			trans	-63.8	109.3	171.9	-75.4	-172.7	176.7	-174.4	1.3	108.6	T468 E472	T468-R470 PolarHBondContact O-N 3.44Å; R470-E472 PolarHBondContact O-N 2.83Å; R470-E472 VanDerWaalsContact O-N 3.15Å
471	H	26.4	Very low	28.5	Very low	163 Å²	163	149.1 Å²	149.1	76%	0.755	77%	0.773	S	S	*	*			trans	-79.1	96.1	174.5	-158.5	-40.8	0	0	0	108.5	Y469	Y469-H471 PolarHBondContact O-N 3.46Å
472	E	25.6	Very low	28.9	Very low	168 Å²	168	151.6 Å²	151.6	79%	0.785	78%	0.777	S	S	*	*			trans	-62.3	140.1	164.9	-71.9	-173.2	143.4	0	0	109.5	R470	R470-E472 PolarHBondContact O-N 2.83Å; R470-E472 VanDerWaalsContact O-N 3.15Å
473	E	27.4	Very low	28.9	Very low	191 Å²	191	154.2 Å²	154.2	89%	0.893	79%	0.79	S	S	*	*			trans	-85.9	109.2	178.2	-73.9	-176.8	124.5	0	0	110.1
474	I	30.5	Very low	28.9	Very low	159 Å²	159	151.2 Å²	151.2	82%	0.815	79%	0.791	S	S	*	*			trans	-103.8	83.9	159.7	-56.2	178.4	0	0	0	108.1
475	L	27.8	Very low	28.7	Very low	162 Å²	162	151.1 Å²	151.1	85%	0.848	81%	0.809	S	S	*	*			trans	-145.5	96.7	157.2	-78.2	-176.7	0	0	0	109
476	Q	28.4	Very low	28.8	Very low	178 Å²	178	149.2 Å²	149.2	83%	0.832	81%	0.807	S	S	*	*			trans	-67.1	146.2	159.5	-69.8	173.6	-10.3	0	0	109.2
477	P	30.4	Very low	29.2	Very low	119 Å²	119	151.8 Å²	151.8	77%	0.773	83%	0.826	S	S	*	*			trans	-119.3	135.6	131	32.9	-27.5	0	0	0	110.1
478	D	32	Very low	29.4	Very low	150 Å²	150	155.7 Å²	155.7	80%	0.802	83%	0.83	S	S	*	*			trans	-60.2	132.8	165.2	-66.5	-64.3	0	0	0	110.1
479	D	29	Very low	29.7	Very low	166 Å²	166	158.6 Å²	158.6	89%	0.888	83%	0.83	S	S	*	*			trans	-156.2	132.8	139.5	-125.4	-25.6	0	0	0	112.4
480	N	31.3	Very low	30	Very low	159 Å²	159	151.6 Å²	151.6	85%	0.85	83%	0.826	S	S	*	*			trans	-87.5	120.4	-176.7	-101.8	-46.7	0	0	0	110.8
481	S	29.2	Very low	30.3	Very low	113 Å²	113	152.3 Å²	152.3	79%	0.79	83%	0.829	S	S	*	*			trans	-151.8	103.5	165.8	179.5	0	0	0	0	111.7
482	I	35.4	Very low	30.7	Very low	153 Å²	153	156.5 Å²	156.5	79%	0.785	84%	0.838	S	S	*	*			trans	-80.2	124.2	173.1	-64.8	168.2	0	0	0	108.9
483	C	29.4	Very low	31.5	Very low	122 Å²	122	153.7 Å²	153.7	82%	0.824	84%	0.837	S	S	*	*			trans	-146.2	140.7	155.4	-95.6	0	0	0	0	110.9
484	N	29.2	Very low	32.8	Very low	160 Å²	160	149.3 Å²	149.3	86%	0.856	83%	0.828	S	S	*	*			trans	-68.8	149.3	-165	-78.3	-28.9	0	0	0	114.4
485	G	31.3	Very low	34.5	Very low	76 Å²	76	148.4 Å²	148.4	78%	0.784	82%	0.818	S	S	*	*			trans	-74.6	144.3	178.7	0	0	0	0	0	114.2
486	V	28.3	Very low	36.6	Very low	141 Å²	141	146.4 Å²	146.4	86%	0.855	80%	0.804	S	S	*	*			trans	-126.8	129.7	146.8	177.8	0	0	0	0	106.2	D488	V486-D488 PolarHBondContact O-N 3.27Å
487	T	39.8	Very low	39	Very low	138 Å²	138	140.5 Å²	140.5	85%	0.847	78%	0.778	S	S	*	*			trans	-72.4	118.1	177	49.3	0	0	0	0	110.4
488	D	29.5	Very low	41.1	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	74%	0.741	S	S	*	*			trans	-119.2	125	158.7	-169.5	14.2	0	0	0	110.1	V486	V486-D488 PolarHBondContact O-N 3.27Å
489	K	32.1	Very low	43	Very low	201 Å²	201	129.8 Å²	129.8	87%	0.874	73%	0.725	S	S	*	*			trans	-103.2	115.3	-178.7	-83	-175.7	174.2	-179.6	0	108.7
490	G	32.3	Very low	45.1	Very low	77 Å²	77	124 Å²	124	79%	0.794	70%	0.704	S	S	*	*			trans	115.2	66.8	156.7	0	0	0	0	0	116
491	R	31.6	Very low	47.4	Very low	248 Å²	248	118.5 Å²	118.5	94%	0.936	67%	0.674	S	S	*	*			trans	-123.2	97.5	153.5	-124.7	178.7	-177.1	-162.3	0.6	109.3	S493	R491-S493 PolarHBondContact O-N 2.8Å; R491-S493 VanDerWaalsContact O-N 3.12Å
492	R	35.3	Very low	49.9	Very low	251 Å²	251	119.8 Å²	119.8	95%	0.947	67%	0.668	S	S	*	*			trans	-60	114.8	156.5	-78.6	-175.8	174.2	-176	-1.9	105.6	S494	R492-S494 PolarHBondContact O-N 2.79Å
493	S	40.6	Very low	52.2	Low	109 Å²	109	114.5 Å²	114.5	76%	0.762	65%	0.648	S	S	*	*			trans	-62.7	102.5	173.9	53.3	0	0	0	0	108.3	R491 K495	R491-S493 PolarHBondContact O-N 2.8Å; R491-S493 VanDerWaalsContact O-N 3.12Å; S493-K495 PolarHBondContact O-N 2.95Å
494	S	56.4	Low	54.9	Low	99 Å²	99	108.7 Å²	108.7	69%	0.692	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-56.1	124.7	168.7	-173.9	0	0	0	0	108	R492 Q496	R492-S494 PolarHBondContact O-N 2.79Å; S494-Q496 PolarHBondContact O-N 3.14Å
495	K	66.3	Low	57.6	Low	139 Å²	139	103.1 Å²	103.1	60%	0.604	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-68	117.1	174.9	-69	-175	179	179.5	0	107.2	S493 W549	S493-K495 PolarHBondContact O-N 2.95Å; K495-W549 HydrophobicContact CB-CD2 4.13Å; K495-W549 HydrophobicContact CB-CE3 3.7Å; K495-W549 HydrophobicContact CB-CH2 3.64Å; K495-W549 HydrophobicContact CB-CZ2 4.03Å; K495-W549 HydrophobicContact CB-CZ3 3.45Å; K495-W549 VanDerWaalsContact CB-CZ3 3.45Å; K495-W549 HydrophobicContact CD-CD2 3.8Å; K495-W549 HydrophobicContact CD-CE3 4.23Å; K495-W549 HydrophobicContact CD-CG 4.21Å; K495-W549 HydrophobicContact CD-CH2 4.49Å; K495-W549 HydrophobicContact CD-CZ2 4.05Å; K495-W549 VanDerWaalsContact O-CZ3 3.31Å; K495-W549 WeakPolarHBondContact O-CZ3 3.46Å
496	Q	71.6	Confident	60.3	Low	120 Å²	120	104.6 Å²	104.6	56%	0.561	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-99.8	140.3	-178.4	-70.8	178.3	-30.2	0	0	110.1	S494 C498 G499	S494-Q496 PolarHBondContact O-N 3.14Å; Q496-C498 PolarHBondContact O-N 2.69Å; Q496-G499 PolarHBondContact O-N 2.79Å
497	L	77.4	Confident	63.1	Low	54 Å²	54	103.6 Å²	103.6	28%	0.283	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-44.9	129.4	169.4	-79.6	165.9	0	0	0	110.5	V330 G499 G500 L543 P548	V330-L497 HydrophobicContact CG1-CD2 3.79Å; L497-G499 PolarHBondContact O-N 3.26Å; L497-G500 PolarHBondContact O-N 3.04Å; L497-L543 HydrophobicContact CD2-CD2 4.43Å; L497-P548 HydrophobicContact CD2-CG 3.55Å; L497-P548 HydrophobicContact CG-CG 4.07Å
498	C	75.8	Confident	65.5	Low	0 Å²	0	97.1 Å²	97.1	0%	0	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	52.5	27.5	179.9	-54.6	0	0	0	0	114.6	M329 V330 V337 Q496 G500 A504 M508	M329-C498 PolarHBondContact O-SG 3.07Å; M329-C498 VanDerWaalsContact O-SG 3.38Å; V330-C498 PolarHBondContact O-N 3.13Å; V337-C498 HydrophobicContact CG1-CB 3.87Å; V337-C498 WeakPolarHBondContact CG1-O 3.46Å; V337-C498 HydrophobicContact CG2-CB 4.45Å; Q496-C498 PolarHBondContact O-N 2.69Å; C498-G500 PolarHBondContact O-N 3.35Å; C498-A504 HydrophobicContact CB-CB 3.76Å; C498-M508 PolarHBondContact SG-SD 3.47Å
499	G	72	Confident	68.5	Low	45 Å²	45	93.4 Å²	93.4	46%	0.464	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	68.5	17.9	-175.5	0	0	0	0	0	114.9	Q496 L497	Q496-G499 PolarHBondContact O-N 2.79Å; L497-G499 PolarHBondContact O-N 3.26Å
500	G	72.6	Confident	71.3	Confident	43 Å²	43	88.4 Å²	88.4	44%	0.443	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	83	4.4	173.9	0	0	0	0	0	116	L497 C498	L497-G500 PolarHBondContact O-N 3.04Å; C498-G500 PolarHBondContact O-N 3.35Å
501	N	79.3	Confident	74.3	Confident	44 Å²	44	85.7 Å²	85.7	24%	0.235	43%	0.433	C	S	.	.			trans	-90.8	121.3	177.8	-175.6	-18.6	0	0	0	111.5	L340 T341 A503 A504 T505	L340-N501 PolarHBondContact O-ND2 3.17Å; T341-N501 HydrophobicContact CG2-CB 4.22Å; N501-A503 VanDerWaalsContact C-N 3.32Å; N501-A503 PolarHBondContact O-N 3.19Å; N501-A503 WeakPolarHBondContact OD1-CB 3.33Å; N501-A503 PolarHBondContact OD1-N 3.23Å; N501-A504 HydrophobicContact CB-CB 4.02Å; N501-A504 WeakPolarHBondContact O-CB 3.49Å; N501-A504 PolarHBondContact O-N 2.84Å; N501-T505 PolarHBondContact O-N 3.3Å; N501-T505 PolarHBondContact O-OG1 3.3Å
502	Q	82	Confident	77.2	Confident	140 Å²	140	74.3 Å²	74.3	65%	0.654	39%	0.392	S	S	*	.	H	α-helix	trans	-54.4	-42.5	176.8	-179.9	176.5	-17.3	0	0	113.3	A504 T505 E506	Q502-A504 PolarHBondContact O-N 3.2Å; Q502-T505 WeakPolarHBondContact O-CB 3.45Å; Q502-T505 PolarHBondContact O-N 3.2Å; Q502-T505 VanDerWaalsContact O-N 3.15Å; Q502-E506 WeakPolarHBondContact CG-OE1 3.31Å; Q502-E506 PolarHBondContact NE2-OE1 3.4Å; Q502-E506 WeakPolarHBondContact O-CG 3.48Å; Q502-E506 PolarHBondContact O-N 2.75Å
503	A	84.5	Confident	80	Confident	43 Å²	43	70.3 Å²	70.3	36%	0.355	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-29.5	178.7	0	0	0	0	0	112.3	L340 N501 R507	L340-A503 HydrophobicContact CD1-CB 4.49Å; N501-A503 VanDerWaalsContact C-N 3.32Å; N501-A503 PolarHBondContact O-N 3.19Å; N501-A503 WeakPolarHBondContact OD1-CB 3.33Å; N501-A503 PolarHBondContact OD1-N 3.23Å; A503-R507 WeakPolarHBondContact O-CB 3.27Å; A503-R507 WeakPolarHBondContact O-CG 3.36Å; A503-R507 PolarHBondContact O-N 2.97Å
504	A	84.4	Confident	82.6	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-74.9	-36.4	174.1	0	0	0	0	0	111.9	V337 L340 C498 N501 Q502 R507 M508	V337-A504 HydrophobicContact CB-CB 4.24Å; V337-A504 HydrophobicContact CG1-CB 3.82Å; V337-A504 HydrophobicContact CG2-CB 4.09Å; L340-A504 HydrophobicContact CD1-CB 4.24Å; C498-A504 HydrophobicContact CB-CB 3.76Å; N501-A504 HydrophobicContact CB-CB 4.02Å; N501-A504 WeakPolarHBondContact O-CB 3.49Å; N501-A504 PolarHBondContact O-N 2.84Å; Q502-A504 PolarHBondContact O-N 3.2Å; A504-R507 PolarHBondContact O-N 3.04Å; A504-M508 WeakPolarHBondContact O-CB 3.44Å; A504-M508 PolarHBondContact O-N 2.81Å
505	T	85.7	Confident	84.4	Confident	43 Å²	43	65.6 Å²	65.6	26%	0.264	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-43.1	170.6	-52	0	0	0	0	111.5	N501 Q502 M508 I509	N501-T505 PolarHBondContact O-N 3.3Å; N501-T505 PolarHBondContact O-OG1 3.3Å; Q502-T505 WeakPolarHBondContact O-CB 3.45Å; Q502-T505 PolarHBondContact O-N 3.2Å; Q502-T505 VanDerWaalsContact O-N 3.15Å; T505-M508 HydrophobicContact CG2-CE 4.09Å; T505-M508 PolarHBondContact O-N 2.82Å; T505-I509 HydrophobicContact CG2-CD1 4.07Å; T505-I509 VanDerWaalsContact O-CG1 3.32Å; T505-I509 WeakPolarHBondContact O-CG1 3.44Å; T505-I509 PolarHBondContact O-N 2.99Å
506	E	88.4	Confident	85.7	Confident	106 Å²	106	62.3 Å²	62.3	50%	0.495	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-44.4	175.7	-72.6	170.1	-167.5	0	0	111.8	Q502 M508 I509 Q510	Q502-E506 WeakPolarHBondContact CG-OE1 3.31Å; Q502-E506 PolarHBondContact NE2-OE1 3.4Å; Q502-E506 WeakPolarHBondContact O-CG 3.48Å; Q502-E506 PolarHBondContact O-N 2.75Å; E506-M508 PolarHBondContact O-N 2.85Å; E506-I509 PolarHBondContact O-N 2.83Å; E506-Q510 WeakPolarHBondContact O-CB 3.26Å; E506-Q510 PolarHBondContact O-N 3.45Å
507	R	87.8	Confident	86.7	Confident	120 Å²	120	59 Å²	59	45%	0.453	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-46.4	172	-85.6	-77.4	-101	-108.1	2.5	112.5	M329 E336 L340 A503 A504 Q510 F511	M329-R507 HydrophobicContact CE-CB 4.45Å; E336-R507 VanDerWaalsContact CD-NH2 3.28Å; E336-R507 IonicContact OE1-NH2 2.69Å; E336-R507 PolarHBondContact OE1-NH2 2.91Å; E336-R507 VanDerWaalsContact OE1-NH2 3.13Å; E336-R507 IonicContact OE2-CZ 3.53Å; E336-R507 IonicContact OE2-NE 3.51Å; E336-R507 PolarHBondContact OE2-NE 3.32Å; E336-R507 IonicContact OE2-NH2 3.5Å; E336-R507 PolarHBondContact OE2-NH2 2.9Å; L340-R507 HydrophobicContact CD1-CG 4.22Å; A503-R507 WeakPolarHBondContact O-CB 3.27Å; A503-R507 WeakPolarHBondContact O-CG 3.36Å; A503-R507 PolarHBondContact O-N 2.97Å; A504-R507 PolarHBondContact O-N 3.04Å; R507-Q510 PolarHBondContact O-N 3.47Å; R507-F511 WeakPolarHBondContact O-CB 3.27Å; R507-F511 PolarHBondContact O-N 3.4Å
508	M	90.7	Very high	87.4	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.015	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-43.6	176.9	176.2	-157	67.7	0	0	112	F326 M329 V330 C498 A504 T505 E506 F511 G512 L543	F326-M508 HydrophobicContact CD2-CG 4.19Å; F326-M508 HydrophobicContact CE2-CG 3.72Å; F326-M508 HydrophobicContact CZ-CG 4.21Å; F326-M508 HydrophobicContact CZ-SD 4.49Å; M329-M508 HydrophobicContact CB-CB 4.44Å; M329-M508 HydrophobicContact CB-CG 4.27Å; M329-M508 HydrophobicContact CE-CB 4.24Å; V330-M508 HydrophobicContact CB-SD 4.34Å; V330-M508 HydrophobicContact CG2-CG 4.38Å; V330-M508 HydrophobicContact CG2-SD 3.52Å; V330-M508 VanDerWaalsContact CG2-SD 3.52Å; C498-M508 PolarHBondContact SG-SD 3.47Å; A504-M508 WeakPolarHBondContact O-CB 3.44Å; A504-M508 PolarHBondContact O-N 2.81Å; T505-M508 HydrophobicContact CG2-CE 4.09Å; T505-M508 PolarHBondContact O-N 2.82Å; E506-M508 PolarHBondContact O-N 2.85Å; M508-F511 PolarHBondContact O-N 3.15Å; M508-G512 PolarHBondContact O-N 2.81Å; M508-L543 HydrophobicContact CE-CD1 4.22Å; M508-L543 HydrophobicContact CE-CD2 3.45Å; M508-L543 VanDerWaalsContact CE-CD2 3.45Å; M508-L543 HydrophobicContact CE-CG 4.5Å; M508-L543 HydrophobicContact SD-CD2 3.8Å
509	I	90.8	Very high	88.2	Confident	77 Å²	77	58.9 Å²	58.9	40%	0.395	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-42.2	177.2	-70.5	166.5	0	0	0	110.9	T505 E506 G512 R513	T505-I509 HydrophobicContact CG2-CD1 4.07Å; T505-I509 VanDerWaalsContact O-CG1 3.32Å; T505-I509 WeakPolarHBondContact O-CG1 3.44Å; T505-I509 PolarHBondContact O-N 2.99Å; E506-I509 PolarHBondContact O-N 2.83Å; I509-G512 PolarHBondContact O-N 3.01Å; I509-R513 PolarHBondContact O-N 2.67Å
510	Q	92.1	Very high	89.2	Confident	95 Å²	95	62.2 Å²	62.2	44%	0.444	32%	0.316	S	S	.	.	H	α-helix	trans	-62.6	-47.6	176.6	177.4	53.6	33.6	0	0	111.4	E506 R507 G512 R513 E514	E506-Q510 WeakPolarHBondContact O-CB 3.26Å; E506-Q510 PolarHBondContact O-N 3.45Å; R507-Q510 PolarHBondContact O-N 3.47Å; Q510-G512 VanDerWaalsContact C-N 3.28Å; Q510-G512 PolarHBondContact O-N 2.85Å; Q510-R513 WeakPolarHBondContact O-CB 3.31Å; Q510-R513 PolarHBondContact O-N 3.42Å; Q510-R513 VanDerWaalsContact O-N 3.08Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.32Å; Q510-E514 PolarHBondContact NE2-OE1 2.89Å; Q510-E514 PolarHBondContact O-N 2.93Å; Q510-E514 VanDerWaalsContact O-N 3.13Å
511	F	94.1	Very high	90.1	Very high	21 Å²	21	65.5 Å²	65.5	9%	0.092	32%	0.32	C	S	.	.	H	α-helix	trans	-59.3	-38	174.4	-173.5	-80.7	0	0	0	112.3	K322 Q325 F326 M329 R507 M508 R513 E514 L515	K322-F511 HydrophobicContact CB-CZ 4.21Å; K322-F511 HydrophobicContact CD-CE2 3.93Å; K322-F511 HydrophobicContact CD-CZ 3.51Å; K322-F511 HydrophobicContact CG-CZ 4.49Å; K322-F511 WeakPolarHBondContact O-CE1 3.35Å; Q325-F511 HydrophobicContact CB-CE1 4.38Å; Q325-F511 HydrophobicContact CB-CZ 3.85Å; Q325-F511 HydrophobicContact CG-CE2 4.22Å; Q325-F511 HydrophobicContact CG-CZ 3.88Å; Q325-F511 VanDerWaalsContact OE1-CE2 3.28Å; Q325-F511 VanDerWaalsContact OE1-CZ 3.3Å; F326-F511 HydrophobicContact CB-CD1 4.07Å; F326-F511 HydrophobicContact CB-CE1 3.92Å; F326-F511 HydrophobicContact CD2-CD1 4.07Å; M329-F511 HydrophobicContact CE-CB 4.06Å; M329-F511 HydrophobicContact CE-CG 4.35Å; M329-F511 HydrophobicContact SD-CB 4.12Å; M329-F511 HydrophobicContact SD-CD1 4.05Å; M329-F511 HydrophobicContact SD-CD2 4.07Å; M329-F511 HydrophobicContact SD-CE1 4.48Å; M329-F511 HydrophobicContact SD-CE2 4.48Å; M329-F511 HydrophobicContact SD-CG 3.82Å; R507-F511 WeakPolarHBondContact O-CB 3.27Å; R507-F511 PolarHBondContact O-N 3.4Å; M508-F511 PolarHBondContact O-N 3.15Å; F511-R513 VanDerWaalsContact C-N 3.31Å; F511-R513 PolarHBondContact O-N 2.82Å; F511-E514 PolarHBondContact O-N 2.77Å; F511-L515 HydrophobicContact CE1-CB 4.46Å; F511-L515 HydrophobicContact CE1-CD2 4.42Å; F511-L515 WeakPolarHBondContact O-CB 3.43Å; F511-L515 PolarHBondContact O-N 3.36Å
512	G	94.2	Very high	90.6	Very high	8 Å²	8	64 Å²	64	8%	0.082	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-37.1	174.4	0	0	0	0	0	113.2	M508 I509 Q510 Q516 F540	M508-G512 PolarHBondContact O-N 2.81Å; I509-G512 PolarHBondContact O-N 3.01Å; Q510-G512 VanDerWaalsContact C-N 3.28Å; Q510-G512 PolarHBondContact O-N 2.85Å; G512-Q516 WeakPolarHBondContact O-CB 3.45Å; G512-Q516 PolarHBondContact O-N 3.08Å; G512-F540 WeakPolarHBondContact O-CZ 3.2Å
513	R	93.9	Very high	91	Very high	168 Å²	168	58.8 Å²	58.8	63%	0.634	29%	0.291	S	S	*	.	H	α-helix	trans	-68.3	-41.8	174.2	-64.6	172.1	-175.7	-93.4	1	111.9	I509 Q510 F511 L515 Q516 A517	I509-R513 PolarHBondContact O-N 2.67Å; Q510-R513 WeakPolarHBondContact O-CB 3.31Å; Q510-R513 PolarHBondContact O-N 3.42Å; Q510-R513 VanDerWaalsContact O-N 3.08Å; F511-R513 VanDerWaalsContact C-N 3.31Å; F511-R513 PolarHBondContact O-N 2.82Å; R513-L515 VanDerWaalsContact C-N 3.35Å; R513-Q516 PolarHBondContact O-N 2.96Å; R513-A517 PolarHBondContact O-N 3.21Å
514	E	94.6	Very high	91.3	Very high	104 Å²	104	64.3 Å²	64.3	49%	0.486	31%	0.309	S	S	.	.	H	α-helix	trans	-63.5	-41.4	176.2	-69.6	164.8	-160.7	0	0	111.5	Q510 F511 A517 L518	Q510-E514 WeakPolarHBondContact CG-OE1 3.32Å; Q510-E514 PolarHBondContact NE2-OE1 2.89Å; Q510-E514 PolarHBondContact O-N 2.93Å; Q510-E514 VanDerWaalsContact O-N 3.13Å; F511-E514 PolarHBondContact O-N 2.77Å; E514-A517 PolarHBondContact O-N 2.95Å; E514-L518 WeakPolarHBondContact O-CB 3.23Å; E514-L518 PolarHBondContact O-N 3.29Å
515	L	93.9	Very high	91.6	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-38.5	176.1	178.3	59.3	0	0	0	112.7	F319 K322 F326 F511 R513 L518 S519 L536 F540	F319-L515 HydrophobicContact CD2-CD1 4.01Å; F319-L515 HydrophobicContact CE2-CD1 3.66Å; F319-L515 HydrophobicContact CZ-CD1 4.36Å; K322-L515 HydrophobicContact CB-CD1 3.83Å; F326-L515 HydrophobicContact CB-CD2 4Å; F326-L515 HydrophobicContact CG-CD2 4.47Å; F511-L515 HydrophobicContact CE1-CB 4.46Å; F511-L515 HydrophobicContact CE1-CD2 4.42Å; F511-L515 WeakPolarHBondContact O-CB 3.43Å; F511-L515 PolarHBondContact O-N 3.36Å; R513-L515 VanDerWaalsContact C-N 3.35Å; L515-L518 PolarHBondContact O-N 2.89Å; L515-S519 PolarHBondContact O-N 2.82Å; L515-S519 VanDerWaalsContact O-N 3.07Å; L515-L536 HydrophobicContact CD1-CD2 4.22Å; L515-L536 HydrophobicContact CD2-CD2 3.76Å; L515-L536 HydrophobicContact CG-CD2 3.62Å; L515-F540 HydrophobicContact CD2-CE1 4.16Å; L515-F540 HydrophobicContact CD2-CZ 4.36Å; L515-F540 HydrophobicContact CG-CZ 4.48Å
516	Q	93.3	Very high	91.7	Very high	70 Å²	70	74.1 Å²	74.1	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-62.1	-48	172.1	177.2	61.7	28.6	0	0	111.2	G512 R513 L518 S519 E520 F540	G512-Q516 WeakPolarHBondContact O-CB 3.45Å; G512-Q516 PolarHBondContact O-N 3.08Å; R513-Q516 PolarHBondContact O-N 2.96Å; Q516-L518 VanDerWaalsContact C-N 3.31Å; Q516-L518 PolarHBondContact O-N 2.9Å; Q516-S519 WeakPolarHBondContact O-CB 3.32Å; Q516-S519 PolarHBondContact O-N 3.33Å; Q516-S519 VanDerWaalsContact O-N 3.09Å; Q516-E520 PolarHBondContact NE2-OE1 2.95Å; Q516-E520 PolarHBondContact O-N 2.92Å; Q516-F540 HydrophobicContact CB-CE2 4.38Å; Q516-F540 HydrophobicContact CB-CZ 4.47Å
517	A	93.8	Very high	91.7	Very high	52 Å²	52	70.8 Å²	70.8	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-39.4	177.4	0	0	0	0	0	112.2	R513 E514 S519 E520 Q521	R513-A517 PolarHBondContact O-N 3.21Å; E514-A517 PolarHBondContact O-N 2.95Å; A517-S519 VanDerWaalsContact C-N 3.34Å; A517-S519 PolarHBondContact O-N 2.82Å; A517-E520 PolarHBondContact O-N 2.84Å; A517-Q521 PolarHBondContact O-N 3.1Å
518	L	91.9	Very high	91.5	Very high	45 Å²	45	70 Å²	70	24%	0.236	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-40.7	173.3	-179.9	62.5	0	0	0	111.9	F319 K322 E514 L515 Q516 Q521 L522	F319-L518 HydrophobicContact CD2-CD2 3.96Å; F319-L518 HydrophobicContact CD2-CG 4.06Å; K322-L518 HydrophobicContact CG-CD2 4.5Å; E514-L518 WeakPolarHBondContact O-CB 3.23Å; E514-L518 PolarHBondContact O-N 3.29Å; L515-L518 PolarHBondContact O-N 2.89Å; Q516-L518 VanDerWaalsContact C-N 3.31Å; Q516-L518 PolarHBondContact O-N 2.9Å; L518-Q521 PolarHBondContact O-N 3.2Å; L518-L522 HydrophobicContact CD1-CD1 4.39Å; L518-L522 HydrophobicContact CD1-CG 4.37Å; L518-L522 HydrophobicContact CG-CD1 4.26Å; L518-L522 WeakPolarHBondContact O-CB 3.48Å; L518-L522 VanDerWaalsContact O-CG 3.28Å; L518-L522 WeakPolarHBondContact O-CG 3.48Å; L518-L522 PolarHBondContact O-N 2.8Å
519	S	92.8	Very high	91.3	Very high	6 Å²	6	72.3 Å²	72.3	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-67.8	-34.5	175.9	-173.5	0	0	0	0	113.2	L515 Q516 A517 S523 L536	L515-S519 PolarHBondContact O-N 2.82Å; L515-S519 VanDerWaalsContact O-N 3.07Å; Q516-S519 WeakPolarHBondContact O-CB 3.32Å; Q516-S519 PolarHBondContact O-N 3.33Å; Q516-S519 VanDerWaalsContact O-N 3.09Å; A517-S519 VanDerWaalsContact C-N 3.34Å; A517-S519 PolarHBondContact O-N 2.82Å; S519-S523 VanDerWaalsContact O-CB 3.3Å; S519-S523 WeakPolarHBondContact O-CB 3.18Å; S519-S523 PolarHBondContact O-N 2.89Å; S519-S523 PolarHBondContact O-OG 3.37Å; S519-L536 VanDerWaalsContact CB-CD1 3.44Å; S519-L536 WeakPolarHBondContact OG-CD1 3.43Å
520	E	91.9	Very high	91.3	Very high	115 Å²	115	74 Å²	74	54%	0.537	38%	0.378	S	S	.	.	H	α-helix	trans	-67.8	-44.9	175.6	-72.7	170.4	-170.4	0	0	110.5	Q516 A517 S523 H524	Q516-E520 PolarHBondContact NE2-OE1 2.95Å; Q516-E520 PolarHBondContact O-N 2.92Å; A517-E520 PolarHBondContact O-N 2.84Å; E520-S523 PolarHBondContact O-N 3.22Å; E520-H524 PolarHBondContact O-N 3.21Å
521	Q	91.7	Very high	91.1	Very high	112 Å²	112	73.6 Å²	73.6	52%	0.523	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-49.7	173.2	-175.3	-177.1	-13.8	0	0	111.8	A517 L518 S523 H524 D525	A517-Q521 PolarHBondContact O-N 3.1Å; L518-Q521 PolarHBondContact O-N 3.2Å; Q521-S523 PolarHBondContact O-N 3.46Å; Q521-H524 WeakPolarHBondContact O-CB 3.32Å; Q521-H524 PolarHBondContact O-N 2.97Å; Q521-D525 WeakPolarHBondContact CG-OD2 3.29Å; Q521-D525 PolarHBondContact NE2-OD2 2.92Å; Q521-D525 PolarHBondContact O-N 3.46Å
522	L	90.6	Very high	90.8	Very high	12 Å²	12	73 Å²	73	6%	0.063	38%	0.38	C	S	.	.	H	α-helix	trans	-62.5	-33.1	177.7	-69.1	176	0	0	0	112.5	P315 F319 L518 H524 Y526	P315-L522 HydrophobicContact CB-CD2 3.68Å; F319-L522 HydrophobicContact CB-CD1 3.79Å; F319-L522 HydrophobicContact CD2-CD1 3.83Å; F319-L522 HydrophobicContact CG-CD1 3.94Å; L518-L522 HydrophobicContact CD1-CD1 4.39Å; L518-L522 HydrophobicContact CD1-CG 4.37Å; L518-L522 HydrophobicContact CG-CD1 4.26Å; L518-L522 WeakPolarHBondContact O-CB 3.48Å; L518-L522 VanDerWaalsContact O-CG 3.28Å; L518-L522 WeakPolarHBondContact O-CG 3.48Å; L518-L522 PolarHBondContact O-N 2.8Å; L522-H524 VanDerWaalsContact C-N 3.34Å; L522-Y526 HydrophobicContact CD2-CD2 3.92Å; L522-Y526 HydrophobicContact CD2-CE2 3.9Å; L522-Y526 PolarHBondContact O-N 2.9Å
523	S	90.1	Very high	90.6	Very high	30 Å²	30	77.9 Å²	77.9	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-70.8	-29.7	175.1	-60.5	0	0	0	0	112.9	S519 E520 Q521 G527	S519-S523 VanDerWaalsContact O-CB 3.3Å; S519-S523 WeakPolarHBondContact O-CB 3.18Å; S519-S523 PolarHBondContact O-N 2.89Å; S519-S523 PolarHBondContact O-OG 3.37Å; E520-S523 PolarHBondContact O-N 3.22Å; Q521-S523 PolarHBondContact O-N 3.46Å; S523-G527 CarbonylContact O-C 3.22Å; S523-G527 WeakPolarHBondContact O-CA 3.44Å; S523-G527 PolarHBondContact O-N 3.16Å; S523-G527 VanDerWaalsContact O-N 3.16Å
524	H	90.9	Very high	90.5	Very high	159 Å²	159	76.1 Å²	76.1	74%	0.736	40%	0.395	S	S	*	.	H	α-helix	trans	-74.1	-47.3	173.7	176.3	-85.8	0	0	0	111.3	E520 Q521 L522	E520-H524 PolarHBondContact O-N 3.21Å; Q521-H524 WeakPolarHBondContact O-CB 3.32Å; Q521-H524 PolarHBondContact O-N 2.97Å; L522-H524 VanDerWaalsContact C-N 3.34Å
525	D	89.8	Confident	90.4	Very high	84 Å²	84	73.7 Å²	73.7	45%	0.449	39%	0.385	S	S	.	.	H	α-helix	trans	-80	-30.4	-171.5	-63.7	-13.6	0	0	0	113.1	Q521	Q521-D525 WeakPolarHBondContact CG-OD2 3.29Å; Q521-D525 PolarHBondContact NE2-OD2 2.92Å; Q521-D525 PolarHBondContact O-N 3.46Å
526	Y	88	Confident	90.3	Very high	165 Å²	165	74 Å²	74	65%	0.647	39%	0.386	S	S	*	.	H	α-helix	trans	-126.3	-0.1	-175.4	-57.3	-77.8	0	0	0	114.8	P315 L522	P315-Y526 HydrophobicContact CG-CE2 4.16Å; L522-Y526 HydrophobicContact CD2-CD2 3.92Å; L522-Y526 HydrophobicContact CD2-CE2 3.9Å; L522-Y526 PolarHBondContact O-N 2.9Å
527	G	88.1	Confident	90.3	Very high	36 Å²	36	77.4 Å²	77.4	37%	0.371	40%	0.402	S	S	.	.			trans	84.8	173.6	-177.6	0	0	0	0	0	114.6	S523 N529	S523-G527 CarbonylContact O-C 3.22Å; S523-G527 WeakPolarHBondContact O-CA 3.44Å; S523-G527 PolarHBondContact O-N 3.16Å; S523-G527 VanDerWaalsContact O-N 3.16Å; G527-N529 PolarHBondContact O-N 3.13Å; G527-N529 VanDerWaalsContact O-N 3.12Å
528	T	84.2	Confident	90.2	Very high	104 Å²	104	76.4 Å²	76.4	64%	0.638	39%	0.39	S	S	*	.			trans	-74.7	105.5	-169.8	51.1	0	0	0	0	113.7
529	N	87	Confident	90.2	Very high	52 Å²	52	74.4 Å²	74.4	28%	0.278	38%	0.38	S	S	.	.			trans	-85.7	115.3	172.1	-174.2	-34.5	0	0	0	111.3	G527 T531 H532 K533	G527-N529 PolarHBondContact O-N 3.13Å; G527-N529 VanDerWaalsContact O-N 3.12Å; N529-T531 WeakPolarHBondContact OD1-CA 3.39Å; N529-T531 VanDerWaalsContact OD1-CB 3.29Å; N529-T531 WeakPolarHBondContact OD1-CB 3.47Å; N529-T531 PolarHBondContact OD1-N 2.7Å; N529-H532 HydrophobicContact CB-CB 4.01Å; N529-H532 PolarHBondContact ND2-CD2 3.26Å; N529-H532 VanDerWaalsContact ND2-CD2 3.33Å; N529-H532 PolarHBondContact ND2-NE2 2.96Å; N529-H532 PolarHBondContact O-N 2.81Å; N529-H532 PolarHBondContact OD1-N 2.94Å; N529-K533 PolarHBondContact O-N 3.04Å
530	T	89.5	Confident	90.2	Very high	111 Å²	111	76.8 Å²	76.8	68%	0.681	39%	0.389	S	S	*	.	H	α-helix	trans	-68.2	-35.7	-179.9	47.2	0	0	0	0	112.9	K533 K534	T530-K533 PolarHBondContact O-N 3.27Å; T530-K534 PolarHBondContact O-N 3.18Å
531	T	88.5	Confident	90.2	Very high	87 Å²	87	72.8 Å²	72.8	53%	0.534	37%	0.374	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.2	-51.2	0	0	0	0	110.9	N529 K533 K534 M535	N529-T531 WeakPolarHBondContact OD1-CA 3.39Å; N529-T531 VanDerWaalsContact OD1-CB 3.29Å; N529-T531 WeakPolarHBondContact OD1-CB 3.47Å; N529-T531 PolarHBondContact OD1-N 2.7Å; T531-K533 PolarHBondContact O-N 2.9Å; T531-K534 PolarHBondContact O-N 2.95Å; T531-M535 HydrophobicContact CG2-CG 4.49Å; T531-M535 HydrophobicContact CG2-SD 4.3Å; T531-M535 WeakPolarHBondContact O-CG 3.21Å; T531-M535 PolarHBondContact O-N 2.64Å
532	H	89.3	Confident	90.1	Very high	10 Å²	10	67.4 Å²	67.4	5%	0.046	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-45.4	176.6	-71.4	-169	0	0	0	111.8	N316 F319 N529 K534 M535 L536	N316-H532 PolarHBondContact OD1-CE1 2.91Å; F319-H532 HydrophobicContact CD1-CB 4.08Å; F319-H532 AromaticContact CD1-CD2 3.62Å; F319-H532 AromaticContact CD1-CE1 3.74Å; F319-H532 AromaticContact CD1-CG 3.53Å; F319-H532 AromaticContact CD1-ND1 3.6Å; F319-H532 AromaticContact CD1-NE2 3.78Å; F319-H532 HydrophobicContact CE1-CB 3.47Å; F319-H532 VanDerWaalsContact CE1-CB 3.47Å; F319-H532 AromaticContact CE1-CD2 3.89Å; F319-H532 AromaticContact CE1-CG 3.47Å; F319-H532 VanDerWaalsContact CE1-CG 3.47Å; F319-H532 AromaticContact CE1-ND1 3.85Å; F319-H532 HydrophobicContact CZ-CB 4.08Å; N529-H532 HydrophobicContact CB-CB 4.01Å; N529-H532 PolarHBondContact ND2-CD2 3.26Å; N529-H532 VanDerWaalsContact ND2-CD2 3.33Å; N529-H532 PolarHBondContact ND2-NE2 2.96Å; N529-H532 PolarHBondContact O-N 2.81Å; N529-H532 PolarHBondContact OD1-N 2.94Å; H532-K534 PolarHBondContact O-N 3.35Å; H532-M535 PolarHBondContact O-N 3.33Å; H532-L536 PolarHBondContact O-N 2.88Å
533	K	90	Very high	90	Very high	109 Å²	109	70.2 Å²	70.2	47%	0.474	36%	0.364	S	S	.	.	H	α-helix	trans	-59.6	-44.4	176	-70.4	-178.2	178.5	-173.7	0	112.1	N529 T530 T531 L536 Q537	N529-K533 PolarHBondContact O-N 3.04Å; T530-K533 PolarHBondContact O-N 3.27Å; T531-K533 PolarHBondContact O-N 2.9Å; K533-L536 PolarHBondContact O-N 2.99Å; K533-Q537 WeakPolarHBondContact O-CB 3.47Å; K533-Q537 PolarHBondContact O-N 3.34Å
534	K	91.9	Very high	89.8	Confident	132 Å²	132	72.7 Å²	72.7	57%	0.574	39%	0.386	S	S	*	.	H	α-helix	trans	-63.4	-46.1	176.8	-175	177.2	177.4	-177.2	0	111.7	T530 T531 H532 L536 Q537 D538	T530-K534 PolarHBondContact O-N 3.18Å; T531-K534 PolarHBondContact O-N 2.95Å; H532-K534 PolarHBondContact O-N 3.35Å; K534-L536 VanDerWaalsContact C-N 3.31Å; K534-L536 PolarHBondContact O-N 2.7Å; K534-Q537 PolarHBondContact O-N 3.32Å; K534-Q537 VanDerWaalsContact O-N 3.15Å; K534-D538 WeakPolarHBondContact CE-OD2 3.49Å; K534-D538 WeakPolarHBondContact O-CB 3.39Å; K534-D538 VanDerWaalsContact O-CG 3.28Å; K534-D538 PolarHBondContact O-N 3.48Å
535	M	90.8	Very high	89.6	Confident	53 Å²	53	69.9 Å²	69.9	26%	0.261	37%	0.369	S	S	.	.	H	α-helix	trans	-58.2	-40.9	178.1	-72.7	-179.7	69.5	0	0	112.6	M320 C323 T531 H532 A539	M320-M535 HydrophobicContact CB-CE 4.17Å; M320-M535 HydrophobicContact CG-CE 3.94Å; M320-M535 HydrophobicContact CG-SD 4.1Å; C323-M535 HydrophobicContact CB-CE 3.88Å; T531-M535 HydrophobicContact CG2-CG 4.49Å; T531-M535 HydrophobicContact CG2-SD 4.3Å; T531-M535 WeakPolarHBondContact O-CG 3.21Å; T531-M535 PolarHBondContact O-N 2.64Å; H532-M535 PolarHBondContact O-N 3.33Å; M535-A539 WeakPolarHBondContact O-CB 3.48Å; M535-A539 PolarHBondContact O-N 2.79Å
536	L	92.9	Very high	89.2	Confident	9 Å²	9	72.2 Å²	72.2	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-67.3	-44.9	173.7	-70.3	-179.4	0	0	0	112.7	F319 L515 S519 H532 K533 K534 D538 A539 F540	F319-L536 HydrophobicContact CE2-CD2 4.37Å; F319-L536 HydrophobicContact CZ-CD1 3.99Å; F319-L536 HydrophobicContact CZ-CD2 3.83Å; F319-L536 HydrophobicContact CZ-CG 3.77Å; L515-L536 HydrophobicContact CD1-CD2 4.22Å; L515-L536 HydrophobicContact CD2-CD2 3.76Å; L515-L536 HydrophobicContact CG-CD2 3.62Å; S519-L536 VanDerWaalsContact CB-CD1 3.44Å; S519-L536 WeakPolarHBondContact OG-CD1 3.43Å; H532-L536 PolarHBondContact O-N 2.88Å; K533-L536 PolarHBondContact O-N 2.99Å; K534-L536 VanDerWaalsContact C-N 3.31Å; K534-L536 PolarHBondContact O-N 2.7Å; L536-D538 VanDerWaalsContact C-N 3.35Å; L536-D538 PolarHBondContact O-N 3.31Å; L536-A539 PolarHBondContact O-N 2.74Å; L536-F540 HydrophobicContact CB-CD2 4.37Å; L536-F540 HydrophobicContact CB-CE2 4.26Å; L536-F540 HydrophobicContact CD2-CE1 4.41Å; L536-F540 HydrophobicContact CD2-CE2 4.1Å; L536-F540 HydrophobicContact CD2-CZ 3.86Å; L536-F540 VanDerWaalsContact O-CB 3.29Å; L536-F540 WeakPolarHBondContact O-CB 3.32Å; L536-F540 VanDerWaalsContact O-CG 3.32Å; L536-F540 WeakPolarHBondContact O-CG 3.44Å; L536-F540 PolarHBondContact O-N 2.88Å
537	Q	92.7	Very high	89	Confident	142 Å²	142	68 Å²	68	66%	0.664	38%	0.381	S	S	*	.	H	α-helix	trans	-59.6	-48.1	179.4	-177.6	175.4	-0.7	0	0	110.7	K533 K534 S541	K533-Q537 WeakPolarHBondContact O-CB 3.47Å; K533-Q537 PolarHBondContact O-N 3.34Å; K534-Q537 PolarHBondContact O-N 3.32Å; K534-Q537 VanDerWaalsContact O-N 3.15Å; Q537-S541 WeakPolarHBondContact O-CB 3.27Å; Q537-S541 PolarHBondContact O-N 2.93Å; Q537-S541 PolarHBondContact O-OG 2.93Å
538	D	91.1	Very high	88.9	Confident	32 Å²	32	66.4 Å²	66.4	17%	0.171	36%	0.364	C	S	.	.	H	α-helix	trans	-61	-50.7	177.1	-66.5	-11.5	0	0	0	110.1	K534 L536 S541 V553	K534-D538 WeakPolarHBondContact CE-OD2 3.49Å; K534-D538 WeakPolarHBondContact O-CB 3.39Å; K534-D538 VanDerWaalsContact O-CG 3.28Å; K534-D538 PolarHBondContact O-N 3.48Å; L536-D538 VanDerWaalsContact C-N 3.35Å; L536-D538 PolarHBondContact O-N 3.31Å; D538-S541 PolarHBondContact O-N 3.04Å; D538-S541 PolarHBondContact O-OG 2.84Å; D538-V553 HydrophobicContact CB-CG1 4.46Å
539	A	91.8	Very high	89	Confident	3 Å²	3	64.3 Å²	64.3	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-46.9	-179.1	0	0	0	0	0	113.6	F326 V327 M535 L536 L542	F326-A539 HydrophobicContact CD1-CB 4.1Å; F326-A539 WeakPolarHBondContact CE1-O 3.31Å; V327-A539 HydrophobicContact CG2-CB 3.82Å; M535-A539 WeakPolarHBondContact O-CB 3.48Å; M535-A539 PolarHBondContact O-N 2.79Å; L536-A539 PolarHBondContact O-N 2.74Å; A539-L542 WeakPolarHBondContact O-CB 3.42Å; A539-L542 WeakPolarHBondContact O-CG 3.47Å; A539-L542 PolarHBondContact O-N 3.07Å
540	F	93.7	Very high	89	Confident	55 Å²	55	68.4 Å²	68.4	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-72.9	-28.2	-179.8	-65.3	-18.3	0	0	0	112.5	F326 G512 L515 Q516 L536 L542 L543	F326-F540 HydrophobicContact CD1-CD1 4.19Å; F326-F540 HydrophobicContact CD1-CE1 4.37Å; F326-F540 HydrophobicContact CD2-CE1 4.29Å; F326-F540 AromaticContact CE1-CD1 3.7Å; F326-F540 HydrophobicContact CE1-CD1 3.7Å; F326-F540 HydrophobicContact CE1-CE1 4.2Å; F326-F540 HydrophobicContact CE2-CD1 4.23Å; F326-F540 HydrophobicContact CE2-CE1 4.1Å; F326-F540 HydrophobicContact CG-CE1 4.41Å; F326-F540 AromaticContact CZ-CD1 3.71Å; F326-F540 HydrophobicContact CZ-CD1 3.71Å; F326-F540 HydrophobicContact CZ-CE1 4.05Å; G512-F540 WeakPolarHBondContact O-CZ 3.2Å; L515-F540 HydrophobicContact CD2-CE1 4.16Å; L515-F540 HydrophobicContact CD2-CZ 4.36Å; L515-F540 HydrophobicContact CG-CZ 4.48Å; Q516-F540 HydrophobicContact CB-CE2 4.38Å; Q516-F540 HydrophobicContact CB-CZ 4.47Å; L536-F540 HydrophobicContact CB-CD2 4.37Å; L536-F540 HydrophobicContact CB-CE2 4.26Å; L536-F540 HydrophobicContact CD2-CE1 4.41Å; L536-F540 HydrophobicContact CD2-CE2 4.1Å; L536-F540 HydrophobicContact CD2-CZ 3.86Å; L536-F540 VanDerWaalsContact O-CB 3.29Å; L536-F540 WeakPolarHBondContact O-CB 3.32Å; L536-F540 VanDerWaalsContact O-CG 3.32Å; L536-F540 WeakPolarHBondContact O-CG 3.44Å; L536-F540 PolarHBondContact O-N 2.88Å; F540-L542 PolarHBondContact O-N 3.4Å; F540-L543 WeakPolarHBondContact O-CB 3.33Å; F540-L543 PolarHBondContact O-N 2.93Å
541	S	92.1	Very high	88.8	Confident	31 Å²	31	63.8 Å²	63.8	22%	0.217	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-22.5	176.9	71.8	0	0	0	0	113.2	Q537 D538 L543 A544 Y545 V553	Q537-S541 WeakPolarHBondContact O-CB 3.27Å; Q537-S541 PolarHBondContact O-N 2.93Å; Q537-S541 PolarHBondContact O-OG 2.93Å; D538-S541 PolarHBondContact O-N 3.04Å; D538-S541 PolarHBondContact O-OG 2.84Å; S541-L543 PolarHBondContact O-N 3.46Å; S541-L543 VanDerWaalsContact O-N 3.15Å; S541-A544 WeakPolarHBondContact O-CB 3.39Å; S541-A544 PolarHBondContact O-N 3.49Å; S541-Y545 WeakPolarHBondContact O-CD2 3.4Å; S541-Y545 WeakPolarHBondContact O-CE2 3.42Å; S541-V553 WeakPolarHBondContact OG-CG2 3.26Å
542	L	89.6	Confident	88.7	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-54.8	-29.9	170.3	-65.8	169.8	0	0	0	112.9	V327 V330 A539 F540 A544 P548 V553 L557	V327-L542 HydrophobicContact CG1-CD1 4.22Å; V327-L542 HydrophobicContact CG2-CD1 4.22Å; V330-L542 HydrophobicContact CG1-CB 4.23Å; V330-L542 HydrophobicContact CG1-CD1 4.3Å; A539-L542 WeakPolarHBondContact O-CB 3.42Å; A539-L542 WeakPolarHBondContact O-CG 3.47Å; A539-L542 PolarHBondContact O-N 3.07Å; F540-L542 PolarHBondContact O-N 3.4Å; L542-A544 VanDerWaalsContact C-N 3.34Å; L542-P548 HydrophobicContact CD2-CB 4.33Å; L542-V553 HydrophobicContact CD2-CG2 3.75Å; L542-V553 HydrophobicContact CG-CG2 4.14Å; L542-L557 HydrophobicContact CD1-CD2 4.21Å; L542-L557 HydrophobicContact CD1-CG 4.3Å; L542-L557 HydrophobicContact CD2-CD1 4.02Å; L542-L557 HydrophobicContact CD2-CG 4.21Å
543	L	87.4	Confident	88.6	Confident	71 Å²	71	65.7 Å²	65.7	37%	0.372	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-77.3	-16.7	177.6	-58.2	-172.1	0	0	0	113.9	F326 V330 L497 M508 F540 S541 Y545	F326-L543 HydrophobicContact CZ-CD1 3.89Å; F326-L543 HydrophobicContact CZ-CD2 4.36Å; F326-L543 HydrophobicContact CZ-CG 4.14Å; V330-L543 HydrophobicContact CG2-CD2 4.13Å; L497-L543 HydrophobicContact CD2-CD2 4.43Å; M508-L543 HydrophobicContact CE-CD1 4.22Å; M508-L543 HydrophobicContact CE-CD2 3.45Å; M508-L543 VanDerWaalsContact CE-CD2 3.45Å; M508-L543 HydrophobicContact CE-CG 4.5Å; M508-L543 HydrophobicContact SD-CD2 3.8Å; F540-L543 WeakPolarHBondContact O-CB 3.33Å; F540-L543 PolarHBondContact O-N 2.93Å; S541-L543 PolarHBondContact O-N 3.46Å; S541-L543 VanDerWaalsContact O-N 3.15Å; L543-Y545 VanDerWaalsContact C-N 3.25Å; L543-Y545 PolarHBondContact O-N 2.91Å
544	A	86.8	Confident	88.3	Confident	82 Å²	82	61 Å²	61	68%	0.678	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-79.1	-9.9	-178.8	0	0	0	0	0	113	S541 L542	S541-A544 WeakPolarHBondContact O-CB 3.39Å; S541-A544 PolarHBondContact O-N 3.49Å; L542-A544 VanDerWaalsContact C-N 3.34Å
545	Y	85.8	Confident	88.2	Confident	99 Å²	99	62 Å²	62	39%	0.388	34%	0.342	S	S	.	.	S	Bend	trans	-113.5	139.8	-177.4	-59.9	-85	0	0	0	111.3	S541 L543 D547 C551	S541-Y545 WeakPolarHBondContact O-CD2 3.4Å; S541-Y545 WeakPolarHBondContact O-CE2 3.42Å; L543-Y545 VanDerWaalsContact C-N 3.25Å; L543-Y545 PolarHBondContact O-N 2.91Å; Y545-D547 VanDerWaalsContact C-N 3.27Å; Y545-D547 PolarHBondContact O-N 3.3Å; Y545-C551 HydrophobicContact CD1-CB 3.87Å; Y545-C551 HydrophobicContact CD2-CB 3.39Å; Y545-C551 HydrophobicContact CE1-CB 4.27Å; Y545-C551 HydrophobicContact CE2-CB 3.84Å; Y545-C551 HydrophobicContact CG-CB 3.42Å; Y545-C551 VanDerWaalsContact CG-CB 3.42Å
546	S	82.3	Confident	88.1	Confident	134 Å²	134	62 Å²	62	94%	0.937	34%	0.342	S	S	*	.	S	Bend	trans	-70	-22.2	176	41.1	0	0	0	0	113.6
547	D	83.9	Confident	87.9	Confident	76 Å²	76	61.9 Å²	61.9	41%	0.406	34%	0.341	S	S	.	.			trans	-125.7	99.7	166.8	-178.3	-3.6	0	0	0	109.5	Y545 W549 N550	Y545-D547 VanDerWaalsContact C-N 3.27Å; Y545-D547 PolarHBondContact O-N 3.3Å; D547-W549 PolarHBondContact O-N 3.38Å; D547-W549 PolarHBondContact OD1-N 2.89Å; D547-N550 HydrophobicContact CB-CB 4.36Å; D547-N550 PolarHBondContact O-N 3.01Å; D547-N550 PolarHBondContact OD1-N 2.99Å; D547-N550 WeakPolarHBondContact OD2-CB 3.39Å
548	P	84.8	Confident	87.8	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.013	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-62.4	-26	178.5	-24.6	33.9	0	0	0	114.5	V330 L497 L542 N550 C551 G554 L557	V330-P548 HydrophobicContact CG1-CB 4.41Å; L497-P548 HydrophobicContact CD2-CG 3.55Å; L497-P548 HydrophobicContact CG-CG 4.07Å; L542-P548 HydrophobicContact CD2-CB 4.33Å; P548-N550 VanDerWaalsContact C-N 3.34Å; P548-C551 PolarHBondContact O-SG 2.85Å; P548-G554 WeakPolarHBondContact O-CA 3.28Å; P548-L557 HydrophobicContact CB-CD1 3.73Å
549	W	87.3	Confident	87.7	Confident	60 Å²	60	60.5 Å²	60.5	23%	0.227	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-80	-18.1	-178.2	-65.8	-87.8	0	0	0	112.5	N331 K495 D547 L557	N331-W549 PolarHBondContact OD1-NE1 3.04Å; K495-W549 HydrophobicContact CB-CD2 4.13Å; K495-W549 HydrophobicContact CB-CE3 3.7Å; K495-W549 HydrophobicContact CB-CH2 3.64Å; K495-W549 HydrophobicContact CB-CZ2 4.03Å; K495-W549 HydrophobicContact CB-CZ3 3.45Å; K495-W549 VanDerWaalsContact CB-CZ3 3.45Å; K495-W549 HydrophobicContact CD-CD2 3.8Å; K495-W549 HydrophobicContact CD-CE3 4.23Å; K495-W549 HydrophobicContact CD-CG 4.21Å; K495-W549 HydrophobicContact CD-CH2 4.49Å; K495-W549 HydrophobicContact CD-CZ2 4.05Å; K495-W549 VanDerWaalsContact O-CZ3 3.31Å; K495-W549 WeakPolarHBondContact O-CZ3 3.46Å; D547-W549 PolarHBondContact O-N 3.38Å; D547-W549 PolarHBondContact OD1-N 2.89Å; W549-L557 HydrophobicContact CD2-CD1 4.12Å; W549-L557 HydrophobicContact CG-CD1 4.01Å
550	N	85.9	Confident	87.6	Confident	138 Å²	138	63.8 Å²	63.8	74%	0.738	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-112.6	28.1	179.4	-165.4	34.8	0	0	0	113	D547 P548	D547-N550 HydrophobicContact CB-CB 4.36Å; D547-N550 PolarHBondContact O-N 3.01Å; D547-N550 PolarHBondContact OD1-N 2.99Å; D547-N550 WeakPolarHBondContact OD2-CB 3.39Å; P548-N550 VanDerWaalsContact C-N 3.34Å
551	C	86.1	Confident	87.5	Confident	15 Å²	15	64.7 Å²	64.7	10%	0.101	37%	0.367	C	S	.	.	S	Bend	trans	-103.7	166.9	176.9	80.3	0	0	0	0	112.2	Y545 P548 V553 G554	Y545-C551 HydrophobicContact CD1-CB 3.87Å; Y545-C551 HydrophobicContact CD2-CB 3.39Å; Y545-C551 HydrophobicContact CE1-CB 4.27Å; Y545-C551 HydrophobicContact CE2-CB 3.84Å; Y545-C551 HydrophobicContact CG-CB 3.42Å; Y545-C551 VanDerWaalsContact CG-CB 3.42Å; P548-C551 PolarHBondContact O-SG 2.85Å; C551-V553 PolarHBondContact O-N 2.87Å; C551-V553 VanDerWaalsContact SG-CG2 3.57Å; C551-G554 PolarHBondContact O-N 2.87Å; C551-G554 PolarHBondContact SG-N 3.37Å; C551-G554 VanDerWaalsContact SG-N 3.41Å
552	P	86.1	Confident	87.5	Confident	109 Å²	109	64.2 Å²	64.2	71%	0.708	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.1	-178.2	-26.3	36.1	0	0	0	115.1
553	V	87.1	Confident	87.6	Confident	28 Å²	28	70 Å²	70	17%	0.17	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	12.7	175.7	-60.9	0	0	0	0	112.9	D538 S541 L542 C551 Q555 Q556	D538-V553 HydrophobicContact CB-CG1 4.46Å; S541-V553 WeakPolarHBondContact OG-CG2 3.26Å; L542-V553 HydrophobicContact CD2-CG2 3.75Å; L542-V553 HydrophobicContact CG-CG2 4.14Å; C551-V553 PolarHBondContact O-N 2.87Å; C551-V553 VanDerWaalsContact SG-CG2 3.57Å; V553-Q555 PolarHBondContact O-N 2.68Å; V553-Q556 HydrophobicContact CB-CG 4.26Å; V553-Q556 VanDerWaalsContact O-CB 3.25Å; V553-Q556 WeakPolarHBondContact O-CB 3.47Å; V553-Q556 VanDerWaalsContact O-CG 3.28Å; V553-Q556 WeakPolarHBondContact O-CG 3.23Å; V553-Q556 PolarHBondContact O-N 2.97Å
554	G	84.6	Confident	87.8	Confident	11 Å²	11	70.4 Å²	70.4	11%	0.113	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-58.3	-24.4	-175.6	0	0	0	0	0	114	P548 C551 Q556 L557	P548-G554 WeakPolarHBondContact O-CA 3.28Å; C551-G554 PolarHBondContact O-N 2.87Å; C551-G554 PolarHBondContact SG-N 3.37Å; C551-G554 VanDerWaalsContact SG-N 3.41Å; G554-Q556 PolarHBondContact O-N 3.2Å; G554-Q556 VanDerWaalsContact O-N 3.15Å; G554-L557 WeakPolarHBondContact O-CB 3.42Å; G554-L557 PolarHBondContact O-N 3.38Å
555	Q	89.4	Confident	88.1	Confident	151 Å²	151	66.9 Å²	66.9	71%	0.706	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-56.5	-23.7	170.3	-65.8	-177.9	-4.1	0	0	113.4	V553 L557 D558 Q561	V553-Q555 PolarHBondContact O-N 2.68Å; Q555-L557 PolarHBondContact O-N 3.49Å; Q555-D558 WeakPolarHBondContact O-CB 3.37Å; Q555-D558 PolarHBondContact O-N 2.99Å; Q555-D558 VanDerWaalsContact O-N 3.09Å; Q555-Q561 VanDerWaalsContact O-CG 3.23Å; Q555-Q561 WeakPolarHBondContact O-CG 3.22Å
556	Q	89.1	Confident	88.5	Confident	54 Å²	54	62.5 Å²	62.5	25%	0.252	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-60.1	-30.5	173.6	-68.1	-66.4	-14.1	0	0	112.2	R324 V327 V553 G554 D558	R324-Q556 PolarHBondContact NH1-O 2.96Å; R324-Q556 PolarHBondContact NH2-O 3.33Å; V327-Q556 HydrophobicContact CG1-CB 4.4Å; V327-Q556 WeakPolarHBondContact CG1-O 3.47Å; V553-Q556 HydrophobicContact CB-CG 4.26Å; V553-Q556 VanDerWaalsContact O-CB 3.25Å; V553-Q556 WeakPolarHBondContact O-CB 3.47Å; V553-Q556 VanDerWaalsContact O-CG 3.28Å; V553-Q556 WeakPolarHBondContact O-CG 3.23Å; V553-Q556 PolarHBondContact O-N 2.97Å; G554-Q556 PolarHBondContact O-N 3.2Å; G554-Q556 VanDerWaalsContact O-N 3.15Å; Q556-D558 VanDerWaalsContact C-N 3.26Å; Q556-D558 PolarHBondContact O-N 3.32Å
557	L	88.6	Confident	89	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.037	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-80.2	-5.3	178.8	-64.1	164.8	0	0	0	113.2	V327 V330 N331 L542 P548 W549 G554 Q555	V327-L557 HydrophobicContact CG1-CD2 3.88Å; V330-L557 HydrophobicContact CB-CD2 4.44Å; V330-L557 HydrophobicContact CG1-CD2 4.12Å; N331-L557 HydrophobicContact CB-CD2 3.7Å; N331-L557 PolarHBondContact ND2-O 3.27Å; L542-L557 HydrophobicContact CD1-CD2 4.21Å; L542-L557 HydrophobicContact CD1-CG 4.3Å; L542-L557 HydrophobicContact CD2-CD1 4.02Å; L542-L557 HydrophobicContact CD2-CG 4.21Å; P548-L557 HydrophobicContact CB-CD1 3.73Å; W549-L557 HydrophobicContact CD2-CD1 4.12Å; W549-L557 HydrophobicContact CG-CD1 4.01Å; G554-L557 WeakPolarHBondContact O-CB 3.42Å; G554-L557 PolarHBondContact O-N 3.38Å; Q555-L557 PolarHBondContact O-N 3.49Å
558	D	89.8	Confident	89.4	Confident	70 Å²	70	56.3 Å²	56.3	37%	0.374	32%	0.315	S	S	.	.	S	Bend	trans	-67.6	134.6	177.3	-166.9	-62.1	0	0	0	110.7	R324 Q555 Q556 T560 Q561	R324-D558 PolarHBondContact NH2-O 2.93Å; R324-D558 VanDerWaalsContact NH2-O 3.15Å; Q555-D558 WeakPolarHBondContact O-CB 3.37Å; Q555-D558 PolarHBondContact O-N 2.99Å; Q555-D558 VanDerWaalsContact O-N 3.09Å; Q556-D558 VanDerWaalsContact C-N 3.26Å; Q556-D558 PolarHBondContact O-N 3.32Å; D558-T560 VanDerWaalsContact CG-OG1 3.26Å; D558-T560 PolarHBondContact O-N 3.36Å; D558-T560 VanDerWaalsContact OD1-CB 3.3Å; D558-T560 WeakPolarHBondContact OD1-CB 3.5Å; D558-T560 VanDerWaalsContact OD1-CG2 3.31Å; D558-T560 WeakPolarHBondContact OD1-CG2 3.17Å; D558-T560 PolarHBondContact OD1-N 2.86Å; D558-T560 PolarHBondContact OD1-OG1 3.28Å; D558-Q561 HydrophobicContact CB-CG 4.33Å; D558-Q561 WeakPolarHBondContact O-CB 3.42Å; D558-Q561 PolarHBondContact O-N 2.97Å
559	P	89.3	Confident	90	Very high	75 Å²	75	56.3 Å²	56.3	49%	0.487	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.1	175.8	-26.8	36	0	0	0	114.9	Q561 R562	P559-Q561 PolarHBondContact O-N 3.46Å; P559-R562 WeakPolarHBondContact O-CB 3.37Å; P559-R562 WeakPolarHBondContact O-CD 3.28Å; P559-R562 VanDerWaalsContact O-CG 3.24Å; P559-R562 WeakPolarHBondContact O-CG 3.34Å; P559-R562 PolarHBondContact O-N 2.98Å
560	T	90.4	Very high	90.3	Very high	72 Å²	72	53.6 Å²	53.6	44%	0.442	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.6	178	55	0	0	0	0	112.6	D558 R562 E563	D558-T560 VanDerWaalsContact CG-OG1 3.26Å; D558-T560 PolarHBondContact O-N 3.36Å; D558-T560 VanDerWaalsContact OD1-CB 3.3Å; D558-T560 WeakPolarHBondContact OD1-CB 3.5Å; D558-T560 VanDerWaalsContact OD1-CG2 3.31Å; D558-T560 WeakPolarHBondContact OD1-CG2 3.17Å; D558-T560 PolarHBondContact OD1-N 2.86Å; D558-T560 PolarHBondContact OD1-OG1 3.28Å; T560-R562 PolarHBondContact O-N 2.92Å; T560-R562 VanDerWaalsContact O-N 3.08Å; T560-E563 WeakPolarHBondContact O-CB 3.44Å; T560-E563 WeakPolarHBondContact O-CG 3.49Å; T560-E563 PolarHBondContact O-N 2.8Å; T560-E563 VanDerWaalsContact O-N 3.09Å
561	Q	90.8	Very high	90.7	Very high	74 Å²	74	48 Å²	48	35%	0.346	28%	0.276	S	S	.	.	H	α-helix	trans	-66.7	-9.1	176.8	-57.5	-57.3	-45.9	0	0	113.4	Q555 D558 P559	Q555-Q561 VanDerWaalsContact O-CG 3.23Å; Q555-Q561 WeakPolarHBondContact O-CG 3.22Å; D558-Q561 HydrophobicContact CB-CG 4.33Å; D558-Q561 WeakPolarHBondContact O-CB 3.42Å; D558-Q561 PolarHBondContact O-N 2.97Å; P559-Q561 PolarHBondContact O-N 3.46Å
562	R	93.5	Very high	91.2	Very high	20 Å²	20	47.7 Å²	47.7	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-78.9	-23.8	173.7	-58.3	168.2	178.5	168.7	0.1	112.5	V291 L292 E328 T333 P559 T560 L565 C566	V291-R562 WeakPolarHBondContact O-CD 3.41Å; L292-R562 HydrophobicContact CD2-CB 4.24Å; L292-R562 WeakPolarHBondContact O-CD 3.43Å; L292-R562 PolarHBondContact O-NH1 3.25Å; E328-R562 VanDerWaalsContact CD-NH2 3.33Å; E328-R562 WeakPolarHBondContact OE1-CG 3.38Å; E328-R562 IonicContact OE1-CZ 3.51Å; E328-R562 IonicContact OE1-NE 2.89Å; E328-R562 PolarHBondContact OE1-NE 2.61Å; E328-R562 IonicContact OE1-NH2 3.72Å; E328-R562 PolarHBondContact OE1-NH2 3.23Å; E328-R562 IonicContact OE2-CZ 2.67Å; E328-R562 IonicContact OE2-NE 2.75Å; E328-R562 IonicContact OE2-NH2 3.22Å; E328-R562 PolarHBondContact OE2-NH2 2.99Å; T333-R562 PolarHBondContact OG1-NH2 3.11Å; P559-R562 WeakPolarHBondContact O-CB 3.37Å; P559-R562 WeakPolarHBondContact O-CD 3.28Å; P559-R562 VanDerWaalsContact O-CG 3.24Å; P559-R562 WeakPolarHBondContact O-CG 3.34Å; P559-R562 PolarHBondContact O-N 2.98Å; T560-R562 PolarHBondContact O-N 2.92Å; T560-R562 VanDerWaalsContact O-N 3.08Å; R562-L565 PolarHBondContact O-N 2.95Å; R562-C566 WeakPolarHBondContact O-CB 3.26Å; R562-C566 PolarHBondContact O-N 2.91Å
563	E	91.9	Very high	91.6	Very high	122 Å²	122	42.6 Å²	42.6	57%	0.57	24%	0.242	S	C	*	.	H	α-helix	trans	-67.9	-43.8	-170.2	-65.5	180	-175.6	0	0	112.8	L292 T560 L565 C566 S567	L292-E563 HydrophobicContact CD2-CG 4.14Å; T560-E563 WeakPolarHBondContact O-CB 3.44Å; T560-E563 WeakPolarHBondContact O-CG 3.49Å; T560-E563 PolarHBondContact O-N 2.8Å; T560-E563 VanDerWaalsContact O-N 3.09Å; E563-L565 PolarHBondContact O-N 3.11Å; E563-C566 PolarHBondContact O-N 3.42Å; E563-S567 WeakPolarHBondContact O-CB 3.03Å; E563-S567 PolarHBondContact O-N 2.96Å
564	S	90.6	Very high	91.8	Very high	80 Å²	80	41.5 Å²	41.5	56%	0.559	24%	0.235	S	C	*	.	H	α-helix	trans	-60.9	-44	178.1	58	0	0	0	0	111.9	S567 A568	S564-S567 PolarHBondContact O-N 3.24Å; S564-A568 WeakPolarHBondContact O-CB 3.26Å; S564-A568 PolarHBondContact O-N 3.36Å
565	L	93.6	Very high	92.2	Very high	7 Å²	7	46 Å²	46	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-42.2	176.3	-176.3	68.5	0	0	0	112.4	V291 L317 M320 L321 R324 R562 E563 S567 A568 L569	V291-L565 HydrophobicContact CG1-CD2 4.35Å; L317-L565 HydrophobicContact CD1-CD1 4.49Å; M320-L565 HydrophobicContact CB-CD1 3.84Å; M320-L565 HydrophobicContact CE-CD1 4.43Å; L321-L565 HydrophobicContact CD2-CD1 3.95Å; L321-L565 HydrophobicContact CD2-CD2 3.95Å; L321-L565 HydrophobicContact CD2-CG 3.9Å; L321-L565 HydrophobicContact CG-CD1 4.07Å; R324-L565 HydrophobicContact CB-CD2 3.31Å; R324-L565 HydrophobicContact CG-CD2 3.51Å; R562-L565 PolarHBondContact O-N 2.95Å; E563-L565 PolarHBondContact O-N 3.11Å; L565-S567 VanDerWaalsContact C-N 3.32Å; L565-S567 PolarHBondContact O-N 2.94Å; L565-A568 PolarHBondContact O-N 2.83Å; L565-L569 WeakPolarHBondContact O-CB 3.42Å; L565-L569 PolarHBondContact O-N 3.01Å
566	C	94.7	Very high	92.4	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-43.3	175.6	-175.4	0	0	0	0	111.3	Q288 V291 L292 R562 E563 N570	Q288-C566 VanDerWaalsContact CB-SG 3.57Å; V291-C566 HydrophobicContact CB-CB 4.26Å; V291-C566 HydrophobicContact CG1-CB 3.85Å; L292-C566 HydrophobicContact CD2-CB 4.03Å; L292-C566 HydrophobicContact CG-CB 4.31Å; R562-C566 WeakPolarHBondContact O-CB 3.26Å; R562-C566 PolarHBondContact O-N 2.91Å; E563-C566 PolarHBondContact O-N 3.42Å; C566-N570 WeakPolarHBondContact O-CB 3.19Å; C566-N570 PolarHBondContact O-N 2.82Å
567	S	91.6	Very high	92.5	Very high	47 Å²	47	42.6 Å²	42.6	33%	0.329	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-45.5	174.6	-171.8	0	0	0	0	112.1	E563 S564 L565 L569 N570 S571	E563-S567 WeakPolarHBondContact O-CB 3.03Å; E563-S567 PolarHBondContact O-N 2.96Å; S564-S567 PolarHBondContact O-N 3.24Å; L565-S567 VanDerWaalsContact C-N 3.32Å; L565-S567 PolarHBondContact O-N 2.94Å; S567-L569 PolarHBondContact O-N 2.56Å; S567-N570 PolarHBondContact O-N 3.32Å; S567-S571 WeakPolarHBondContact O-CB 3.49Å; S567-S571 PolarHBondContact O-N 2.83Å; S567-S571 PolarHBondContact O-OG 3.06Å
568	A	93.4	Very high	92.6	Very high	34 Å²	34	49.7 Å²	49.7	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-43.5	177.2	0	0	0	0	0	112.7	L317 S564 L565 S571 A572	L317-A568 HydrophobicContact CD1-CB 4.22Å; S564-A568 WeakPolarHBondContact O-CB 3.26Å; S564-A568 PolarHBondContact O-N 3.36Å; L565-A568 PolarHBondContact O-N 2.83Å; A568-S571 PolarHBondContact O-N 2.91Å; A568-A572 PolarHBondContact O-N 3.43Å
569	L	95.6	Very high	92.6	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-46.5	176	177.2	55.5	0	0	0	111.8	I287 V291 T303 L311 L317 L321 L565 S567 S571 A572 I573	I287-L569 HydrophobicContact CG2-CD2 3.47Å; I287-L569 VanDerWaalsContact CG2-CD2 3.47Å; I287-L569 HydrophobicContact CG2-CG 4.18Å; V291-L569 HydrophobicContact CG2-CD2 3.97Å; T303-L569 HydrophobicContact CG2-CD1 4.02Å; L311-L569 HydrophobicContact CD2-CD1 4.43Å; L317-L569 HydrophobicContact CD1-CB 4.48Å; L317-L569 HydrophobicContact CD2-CD1 4.06Å; L321-L569 HydrophobicContact CD1-CD1 4.27Å; L321-L569 HydrophobicContact CD1-CD2 4.43Å; L321-L569 HydrophobicContact CD2-CD2 4Å; L565-L569 WeakPolarHBondContact O-CB 3.42Å; L565-L569 PolarHBondContact O-N 3.01Å; S567-L569 PolarHBondContact O-N 2.56Å; L569-S571 VanDerWaalsContact C-N 3.3Å; L569-S571 PolarHBondContact O-N 3.12Å; L569-A572 PolarHBondContact O-N 3.09Å; L569-I573 HydrophobicContact CD1-CD1 4.08Å; L569-I573 HydrophobicContact CD1-CG1 4.26Å; L569-I573 HydrophobicContact CG-CD1 4.05Å; L569-I573 WeakPolarHBondContact O-CG1 3.33Å; L569-I573 PolarHBondContact O-N 3.09Å
570	N	95.2	Very high	92.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.011	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-39.7	176.1	-174.8	61.6	0	0	0	112.1	H256 R284 Q288 C566 S567 I573 L574	H256-N570 PolarHBondContact CE1-ND2 3.23Å; H256-N570 PolarHBondContact ND1-ND2 3.12Å; H256-N570 PolarHBondContact O-ND2 2.92Å; R284-N570 PolarHBondContact NH1-OD1 3.32Å; Q288-N570 HydrophobicContact CG-CB 4.27Å; C566-N570 WeakPolarHBondContact O-CB 3.19Å; C566-N570 PolarHBondContact O-N 2.82Å; S567-N570 PolarHBondContact O-N 3.32Å; N570-I573 PolarHBondContact O-N 2.89Å; N570-L574 WeakPolarHBondContact O-CG 3.41Å; N570-L574 PolarHBondContact O-N 2.83Å
571	S	94.1	Very high	92.4	Very high	20 Å²	20	51.7 Å²	51.7	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-61.6	-43.8	176.1	-57	0	0	0	0	112	S567 A568 L569 L574 E575 K581	S567-S571 WeakPolarHBondContact O-CB 3.49Å; S567-S571 PolarHBondContact O-N 2.83Å; S567-S571 PolarHBondContact O-OG 3.06Å; A568-S571 PolarHBondContact O-N 2.91Å; L569-S571 VanDerWaalsContact C-N 3.3Å; L569-S571 PolarHBondContact O-N 3.12Å; S571-L574 PolarHBondContact O-N 2.85Å; S571-E575 WeakPolarHBondContact O-CB 3.37Å; S571-E575 PolarHBondContact O-N 2.87Å; S571-K581 WeakPolarHBondContact CB-O 3.38Å; S571-K581 PolarHBondContact OG-O 2.9Å; S571-K581 VanDerWaalsContact OG-O 3.12Å
572	A	95.2	Very high	92.3	Very high	10 Å²	10	52.4 Å²	52.4	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-69.1	-34.3	177.6	0	0	0	0	0	112.9	L310 L317 A568 L569 S576	L310-A572 HydrophobicContact CD2-CB 4.35Å; L317-A572 HydrophobicContact CD2-CB 3.48Å; L317-A572 VanDerWaalsContact CD2-CB 3.48Å; A568-A572 PolarHBondContact O-N 3.43Å; L569-A572 PolarHBondContact O-N 3.09Å; A572-S576 WeakPolarHBondContact O-CB 3.39Å; A572-S576 PolarHBondContact O-N 3.38Å
573	I	94.9	Very high	92.2	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-50	172.6	-67.1	163.7	0	0	0	110.2	R284 I287 Y307 L310 L569 N570 E575 S576 Q577	R284-I573 HydrophobicContact CG-CG2 3.77Å; I287-I573 HydrophobicContact CD1-CD1 3.86Å; I287-I573 HydrophobicContact CG2-CD1 4.31Å; Y307-I573 HydrophobicContact CD1-CG2 3.85Å; Y307-I573 HydrophobicContact CD2-CD1 4.34Å; Y307-I573 HydrophobicContact CD2-CG1 4.21Å; Y307-I573 HydrophobicContact CD2-CG2 4.08Å; Y307-I573 HydrophobicContact CE1-CG2 3.44Å; Y307-I573 VanDerWaalsContact CE1-CG2 3.44Å; Y307-I573 HydrophobicContact CE2-CD1 4.23Å; Y307-I573 HydrophobicContact CE2-CG1 4.37Å; Y307-I573 HydrophobicContact CE2-CG2 3.7Å; Y307-I573 HydrophobicContact CG-CG2 4.15Å; L310-I573 HydrophobicContact CD1-CB 4.2Å; L310-I573 HydrophobicContact CD1-CG1 3.63Å; L569-I573 HydrophobicContact CD1-CD1 4.08Å; L569-I573 HydrophobicContact CD1-CG1 4.26Å; L569-I573 HydrophobicContact CG-CD1 4.05Å; L569-I573 WeakPolarHBondContact O-CG1 3.33Å; L569-I573 PolarHBondContact O-N 3.09Å; N570-I573 PolarHBondContact O-N 2.89Å; I573-E575 PolarHBondContact O-N 3.25Å; I573-S576 PolarHBondContact O-N 3.42Å; I573-S576 PolarHBondContact O-OG 2.75Å; I573-Q577 PolarHBondContact O-N 2.88Å
574	L	92.8	Very high	92.1	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-59.4	-46.8	177.4	-70.4	168.3	0	0	0	111.6	H256 N570 S571 S576 Q577 N578 L579	H256-L574 WeakPolarHBondContact CD2-CD1 3.14Å; H256-L574 WeakPolarHBondContact NE2-CD1 3.33Å; N570-L574 WeakPolarHBondContact O-CG 3.41Å; N570-L574 PolarHBondContact O-N 2.83Å; S571-L574 PolarHBondContact O-N 2.85Å; L574-S576 VanDerWaalsContact C-N 3.32Å; L574-S576 PolarHBondContact O-N 3.49Å; L574-Q577 CarbonylContact O-C 3.59Å; L574-Q577 WeakPolarHBondContact O-CA 3.33Å; L574-Q577 PolarHBondContact O-N 2.94Å; L574-N578 PolarHBondContact O-N 3.07Å; L574-L579 CarbonylContact C-O 3.46Å; L574-L579 HydrophobicContact CB-CB 4.02Å; L574-L579 HydrophobicContact CD2-CB 3.87Å; L574-L579 HydrophobicContact CD2-CD1 3.66Å; L574-L579 HydrophobicContact CD2-CG 4.43Å; L574-L579 WeakPolarHBondContact O-CB 3.46Å; L574-L579 PolarHBondContact O-N 3.4Å
575	E	92.6	Very high	92.1	Very high	106 Å²	106	47.6 Å²	47.6	50%	0.495	27%	0.265	S	S	.	.	H	α-helix	trans	-60.5	-38.9	177.5	-171.4	167	-123.7	0	0	112.1	S571 I573 Q577 N578	S571-E575 WeakPolarHBondContact O-CB 3.37Å; S571-E575 PolarHBondContact O-N 2.87Å; I573-E575 PolarHBondContact O-N 3.25Å; E575-Q577 PolarHBondContact O-N 2.78Å; E575-N578 PolarHBondContact O-N 3.07Å
576	S	93	Very high	91.9	Very high	62 Å²	62	50.2 Å²	50.2	43%	0.434	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-22.7	175	81.5	0	0	0	0	113.9	A572 I573 L574	A572-S576 WeakPolarHBondContact O-CB 3.39Å; A572-S576 PolarHBondContact O-N 3.38Å; I573-S576 PolarHBondContact O-N 3.42Å; I573-S576 PolarHBondContact O-OG 2.75Å; L574-S576 VanDerWaalsContact C-N 3.32Å; L574-S576 PolarHBondContact O-N 3.49Å
577	Q	90.8	Very high	91.8	Very high	71 Å²	71	53.5 Å²	53.5	33%	0.332	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	7	176.4	-62.7	179.8	-78.3	0	0	112.8	S280 Y307 I573 L574 E575 L579	S280-Q577 PolarHBondContact OG-NE2 2.89Å; S280-Q577 PolarHBondContact OG-OE1 3.21Å; Y307-Q577 HydrophobicContact CE1-CG 4.33Å; I573-Q577 PolarHBondContact O-N 2.88Å; L574-Q577 CarbonylContact O-C 3.59Å; L574-Q577 WeakPolarHBondContact O-CA 3.33Å; L574-Q577 PolarHBondContact O-N 2.94Å; E575-Q577 PolarHBondContact O-N 2.78Å; Q577-L579 HydrophobicContact CB-CD1 4.26Å; Q577-L579 HydrophobicContact CB-CG 4.3Å; Q577-L579 PolarHBondContact O-N 2.9Å
578	N	90.1	Very high	91.7	Very high	156 Å²	156	53 Å²	53	83%	0.834	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	25.8	-172	-48.8	-84.8	0	0	0	114.3	L574 E575	L574-N578 PolarHBondContact O-N 3.07Å; E575-N578 PolarHBondContact O-N 3.07Å
579	L	89.7	Confident	91.5	Very high	59 Å²	59	53 Å²	53	31%	0.309	29%	0.288	S	S	.	.			trans	-93.9	156.3	173.1	-64	172.9	0	0	0	110.9	E276 L574 Q577 K581	E276-L579 HydrophobicContact CG-CD1 4Å; L574-L579 CarbonylContact C-O 3.46Å; L574-L579 HydrophobicContact CB-CB 4.02Å; L574-L579 HydrophobicContact CD2-CB 3.87Å; L574-L579 HydrophobicContact CD2-CD1 3.66Å; L574-L579 HydrophobicContact CD2-CG 4.43Å; L574-L579 WeakPolarHBondContact O-CB 3.46Å; L574-L579 PolarHBondContact O-N 3.4Å; Q577-L579 HydrophobicContact CB-CD1 4.26Å; Q577-L579 HydrophobicContact CB-CG 4.3Å; Q577-L579 PolarHBondContact O-N 2.9Å; L579-K581 PolarHBondContact O-N 3.39Å
580	P	87.4	Confident	91.3	Very high	87 Å²	87	54.5 Å²	54.5	57%	0.565	30%	0.303	S	S	*	.			trans	-60.3	122.2	-179.3	-24.6	34.9	0	0	0	112.7	Q582	P580-Q582 PolarHBondContact O-N 2.89Å
581	K	89.3	Confident	91.1	Very high	112 Å²	112	60.9 Å²	60.9	49%	0.487	33%	0.333	S	S	.	.	S	Bend	trans	-59.8	-26.8	177.8	68.3	179.3	-179	-175.7	0	114.1	H256 S571 L579	H256-K581 PolarHBondContact NE2-O 2.94Å; S571-K581 WeakPolarHBondContact CB-O 3.38Å; S571-K581 PolarHBondContact OG-O 2.9Å; S571-K581 VanDerWaalsContact OG-O 3.12Å; L579-K581 PolarHBondContact O-N 3.39Å
582	Q	88.3	Confident	91	Very high	89 Å²	89	61.9 Å²	61.9	42%	0.416	34%	0.343	S	S	.	.	S	Bend	trans	-132.5	144.2	177.3	-76.5	176.1	-16.5	0	0	109.7	P580 L587	P580-Q582 PolarHBondContact O-N 2.89Å; Q582-L587 HydrophobicContact CB-CD2 4.42Å; Q582-L587 HydrophobicContact CB-CG 4.31Å; Q582-L587 VanDerWaalsContact OE1-CD2 3.31Å
583	P	90.9	Very high	90.7	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.013	35%	0.352	C	S	.	.			trans	-72.1	141.5	177.8	29.9	-32.7	0	0	0	110.5	Y253 H256 L585 M586 L587	Y253-P583 HydrophobicContact CD2-CB 4.14Å; Y253-P583 HydrophobicContact CD2-CG 3.66Å; Y253-P583 HydrophobicContact CE2-CG 4.34Å; H256-P583 HydrophobicContact CB-CB 4.22Å; P583-L585 PolarHBondContact O-N 2.89Å; P583-M586 HydrophobicContact CG-CB 4.13Å; P583-M586 HydrophobicContact CG-CG 3.81Å; P583-M586 HydrophobicContact CG-SD 3.81Å; P583-M586 PolarHBondContact O-N 3.24Å; P583-L587 PolarHBondContact O-N 3.35Å
584	P	90.9	Very high	90.4	Very high	57 Å²	57	67.4 Å²	67.4	37%	0.37	37%	0.37	S	S	.	.	H	α-helix	trans	-53	-29.8	179	-30.3	36.6	0	0	0	114.8	M249 L587 A588	M249-P584 HydrophobicContact CG-CB 4.14Å; P584-L587 PolarHBondContact O-N 3.19Å; P584-A588 WeakPolarHBondContact O-CB 3.11Å; P584-A588 PolarHBondContact O-N 2.72Å
585	L	90.9	Very high	90.3	Very high	63 Å²	63	70.3 Å²	70.3	33%	0.33	39%	0.39	S	S	.	.	H	α-helix	trans	-60.3	-44.8	175.6	-174	60.1	0	0	0	113	M249 Y253 P583 A588 L589	M249-L585 HydrophobicContact CB-CB 4.31Å; M249-L585 HydrophobicContact CE-CD1 4.42Å; Y253-L585 HydrophobicContact CD2-CD2 4.24Å; Y253-L585 HydrophobicContact CG-CD2 4.12Å; P583-L585 PolarHBondContact O-N 2.89Å; L585-A588 PolarHBondContact O-N 3.19Å; L585-L589 PolarHBondContact O-N 2.79Å; L585-L589 VanDerWaalsContact O-N 3.11Å
586	M	89.4	Confident	90.1	Very high	62 Å²	62	66.7 Å²	66.7	31%	0.305	38%	0.375	S	S	.	.	H	α-helix	trans	-70.9	-34.9	177.1	-70	-177.3	77	0	0	111.8	Y253 I464 P583 L589 G590	Y253-M586 HydrophobicContact CD2-CG 4.31Å; Y253-M586 HydrophobicContact CE2-CG 4.12Å; Y253-M586 HydrophobicContact CE2-SD 4.13Å; I464-M586 HydrophobicContact CD1-CG 4.25Å; P583-M586 HydrophobicContact CG-CB 4.13Å; P583-M586 HydrophobicContact CG-CG 3.81Å; P583-M586 HydrophobicContact CG-SD 3.81Å; P583-M586 PolarHBondContact O-N 3.24Å; M586-L589 PolarHBondContact O-N 3.35Å; M586-G590 PolarHBondContact O-N 3.06Å
587	L	90.8	Very high	89.7	Confident	75 Å²	75	68 Å²	68	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-64	-44.9	174.6	-69.9	173.4	0	0	0	111.4	Q582 P583 P584 G590 Q591	Q582-L587 HydrophobicContact CB-CD2 4.42Å; Q582-L587 HydrophobicContact CB-CG 4.31Å; Q582-L587 VanDerWaalsContact OE1-CD2 3.31Å; P583-L587 PolarHBondContact O-N 3.35Å; P584-L587 PolarHBondContact O-N 3.19Å; L587-G590 PolarHBondContact O-N 2.83Å; L587-Q591 VanDerWaalsContact O-CB 3.31Å; L587-Q591 WeakPolarHBondContact O-CB 3.43Å; L587-Q591 VanDerWaalsContact O-CG 3.23Å; L587-Q591 WeakPolarHBondContact O-CG 3.37Å; L587-Q591 PolarHBondContact O-N 3.46Å
588	A	90.3	Very high	89.5	Confident	36 Å²	36	68.6 Å²	68.6	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-42.1	177.4	0	0	0	0	0	112.1	M249 P584 L585 Q591 A592	M249-A588 HydrophobicContact CE-CB 3.5Å; M249-A588 VanDerWaalsContact CE-CB 3.5Å; P584-A588 WeakPolarHBondContact O-CB 3.11Å; P584-A588 PolarHBondContact O-N 2.72Å; L585-A588 PolarHBondContact O-N 3.19Å; A588-Q591 PolarHBondContact O-N 2.74Å; A588-A592 WeakPolarHBondContact O-CB 3.05Å; A588-A592 PolarHBondContact O-N 3.48Å
589	L	89.9	Confident	89.4	Confident	35 Å²	35	64 Å²	64	18%	0.183	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-44.2	175.8	-168.6	72.6	0	0	0	112	I464 L585 M586 A592 T593 I612 L616	I464-L589 HydrophobicContact CD1-CD2 3.53Å; I464-L589 HydrophobicContact CG1-CD2 3.78Å; L585-L589 PolarHBondContact O-N 2.79Å; L585-L589 VanDerWaalsContact O-N 3.11Å; M586-L589 PolarHBondContact O-N 3.35Å; L589-A592 PolarHBondContact O-N 3.31Å; L589-T593 WeakPolarHBondContact O-CB 3.49Å; L589-T593 PolarHBondContact O-N 2.83Å; L589-T593 PolarHBondContact O-OG1 2.77Å; L589-I612 HydrophobicContact CD1-CG2 3.55Å; L589-L616 HydrophobicContact CD1-CD1 4.2Å; L589-L616 HydrophobicContact CD1-CD2 4.04Å; L589-L616 HydrophobicContact CD2-CD1 4.43Å
590	G	89.9	Confident	89	Confident	33 Å²	33	62.3 Å²	62.3	34%	0.34	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-42.8	175.8	0	0	0	0	0	112.6	M586 L587 T593 E594	M586-G590 PolarHBondContact O-N 3.06Å; L587-G590 PolarHBondContact O-N 2.83Å; G590-T593 PolarHBondContact O-N 2.82Å; G590-E594 PolarHBondContact O-N 2.89Å
591	Q	92.1	Very high	88.7	Confident	136 Å²	136	64.2 Å²	64.2	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-64.5	-41.2	175.4	-76.6	173.6	-11.1	0	0	112.4	L587 A588 T593 C595	L587-Q591 VanDerWaalsContact O-CB 3.31Å; L587-Q591 WeakPolarHBondContact O-CB 3.43Å; L587-Q591 VanDerWaalsContact O-CG 3.23Å; L587-Q591 WeakPolarHBondContact O-CG 3.37Å; L587-Q591 PolarHBondContact O-N 3.46Å; A588-Q591 PolarHBondContact O-N 2.74Å; Q591-T593 VanDerWaalsContact C-N 3.33Å; Q591-C595 WeakPolarHBondContact O-CB 3.44Å; Q591-C595 PolarHBondContact O-N 3.38Å
592	A	90.8	Very high	88.5	Confident	41 Å²	41	64.4 Å²	64.4	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-43.7	173.6	0	0	0	0	0	110.7	A588 L589 C595 V596 I612	A588-A592 WeakPolarHBondContact O-CB 3.05Å; A588-A592 PolarHBondContact O-N 3.48Å; L589-A592 PolarHBondContact O-N 3.31Å; A592-C595 WeakPolarHBondContact O-CB 3.44Å; A592-C595 PolarHBondContact O-N 2.85Å; A592-V596 WeakPolarHBondContact O-CG2 3.42Å; A592-V596 PolarHBondContact O-N 3.09Å; A592-I612 HydrophobicContact CB-CD1 3.57Å; A592-I612 HydrophobicContact CB-CG1 4.39Å; A592-I612 WeakPolarHBondContact O-CD1 3.41Å
593	T	89.1	Confident	88.1	Confident	46 Å²	46	66.2 Å²	66.2	28%	0.282	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-47.6	-179.4	-56.5	0	0	0	0	111.7	L589 G590 Q591 C595 V596 Q597 I612	L589-T593 WeakPolarHBondContact O-CB 3.49Å; L589-T593 PolarHBondContact O-N 2.83Å; L589-T593 PolarHBondContact O-OG1 2.77Å; G590-T593 PolarHBondContact O-N 2.82Å; Q591-T593 VanDerWaalsContact C-N 3.33Å; T593-C595 VanDerWaalsContact C-N 3.31Å; T593-C595 PolarHBondContact O-N 2.79Å; T593-V596 PolarHBondContact O-N 3.35Å; T593-Q597 WeakPolarHBondContact O-CG 3.41Å; T593-Q597 PolarHBondContact O-N 2.95Å; T593-Q597 VanDerWaalsContact O-N 3.14Å; T593-I612 VanDerWaalsContact CA-CD1 3.43Å
594	E	89.8	Confident	87.7	Confident	82 Å²	82	68 Å²	68	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-63.2	-37.5	173.7	-172.6	62.7	-148.9	0	0	111.2	G590 V596 Q597 L598 R601	G590-E594 PolarHBondContact O-N 2.89Å; E594-V596 PolarHBondContact O-N 3.46Å; E594-Q597 PolarHBondContact O-N 3.44Å; E594-L598 HydrophobicContact CG-CD1 3.97Å; E594-L598 HydrophobicContact CG-CG 4.21Å; E594-L598 WeakPolarHBondContact O-CB 3.47Å; E594-L598 VanDerWaalsContact O-CG 3.27Å; E594-L598 WeakPolarHBondContact O-CG 3.33Å; E594-L598 PolarHBondContact O-N 3.26Å; E594-R601 IonicContact OE1-NH1 3.48Å
595	C	90.8	Very high	87.2	Confident	67 Å²	67	65.3 Å²	65.3	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-45.6	176.7	-170.9	0	0	0	0	111.8	Q591 A592 T593 Q597 L598 M599	Q591-C595 WeakPolarHBondContact O-CB 3.44Å; Q591-C595 PolarHBondContact O-N 3.38Å; A592-C595 WeakPolarHBondContact O-CB 3.44Å; A592-C595 PolarHBondContact O-N 2.85Å; T593-C595 VanDerWaalsContact C-N 3.31Å; T593-C595 PolarHBondContact O-N 2.79Å; C595-Q597 VanDerWaalsContact C-N 3.33Å; C595-Q597 PolarHBondContact O-N 3.09Å; C595-L598 PolarHBondContact O-N 2.88Å; C595-M599 WeakPolarHBondContact O-CB 3.49Å; C595-M599 VanDerWaalsContact O-CG 3.27Å; C595-M599 WeakPolarHBondContact O-CG 3.3Å; C595-M599 PolarHBondContact O-N 3.2Å
596	V	87.8	Confident	86.9	Confident	30 Å²	30	63.9 Å²	63.9	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-38.1	176.3	176.2	0	0	0	0	111.5	A592 T593 E594 M599 A600 C607 I612	A592-V596 WeakPolarHBondContact O-CG2 3.42Å; A592-V596 PolarHBondContact O-N 3.09Å; T593-V596 PolarHBondContact O-N 3.35Å; E594-V596 PolarHBondContact O-N 3.46Å; V596-M599 WeakPolarHBondContact O-CB 3.35Å; V596-M599 PolarHBondContact O-N 2.91Å; V596-A600 PolarHBondContact O-N 3.41Å; V596-C607 HydrophobicContact CG1-CB 4.18Å; V596-I612 HydrophobicContact CG2-CD1 3.95Å; V596-I612 HydrophobicContact CG2-CG1 4.39Å
597	Q	83.9	Confident	86.7	Confident	88 Å²	88	61 Å²	61	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-67.5	-41	174.2	-67.4	-178.3	16.7	0	0	112.5	T593 E594 C595 M599 A600 R601	T593-Q597 WeakPolarHBondContact O-CG 3.41Å; T593-Q597 PolarHBondContact O-N 2.95Å; T593-Q597 VanDerWaalsContact O-N 3.14Å; E594-Q597 PolarHBondContact O-N 3.44Å; C595-Q597 VanDerWaalsContact C-N 3.33Å; C595-Q597 PolarHBondContact O-N 3.09Å; Q597-M599 VanDerWaalsContact C-N 3.35Å; Q597-A600 WeakPolarHBondContact O-CB 3.37Å; Q597-A600 PolarHBondContact O-N 3.28Å; Q597-R601 PolarHBondContact O-N 2.78Å; Q597-R601 VanDerWaalsContact O-N 3.13Å
598	L	87.4	Confident	86.6	Confident	84 Å²	84	58 Å²	58	44%	0.44	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-38.1	174.7	-71.5	172.3	0	0	0	111.6	E594 C595 A600 R601 V602	E594-L598 HydrophobicContact CG-CD1 3.97Å; E594-L598 HydrophobicContact CG-CG 4.21Å; E594-L598 WeakPolarHBondContact O-CB 3.47Å; E594-L598 VanDerWaalsContact O-CG 3.27Å; E594-L598 WeakPolarHBondContact O-CG 3.33Å; E594-L598 PolarHBondContact O-N 3.26Å; C595-L598 PolarHBondContact O-N 2.88Å; L598-A600 VanDerWaalsContact C-N 3.27Å; L598-A600 PolarHBondContact O-N 2.86Å; L598-R601 PolarHBondContact O-N 3.07Å; L598-R601 VanDerWaalsContact O-N 3.13Å; L598-V602 WeakPolarHBondContact O-CG2 3.46Å; L598-V602 PolarHBondContact O-N 3.25Å
599	M	87.2	Confident	86.5	Confident	61 Å²	61	56.9 Å²	56.9	30%	0.3	31%	0.308	S	S	.	.	H	α-helix	trans	-56.8	-40.3	172.3	-75.4	175.6	68.4	0	0	111.8	C595 V596 Q597 V602 R603 S604 C607	C595-M599 WeakPolarHBondContact O-CB 3.49Å; C595-M599 VanDerWaalsContact O-CG 3.27Å; C595-M599 WeakPolarHBondContact O-CG 3.3Å; C595-M599 PolarHBondContact O-N 3.2Å; V596-M599 WeakPolarHBondContact O-CB 3.35Å; V596-M599 PolarHBondContact O-N 2.91Å; Q597-M599 VanDerWaalsContact C-N 3.35Å; M599-V602 WeakPolarHBondContact O-CG2 3.26Å; M599-R603 PolarHBondContact O-N 3.11Å; M599-S604 WeakPolarHBondContact O-CB 3.39Å; M599-S604 PolarHBondContact O-N 2.69Å; M599-C607 HydrophobicContact CB-CB 3.75Å
600	A	81.5	Confident	86.3	Confident	23 Å²	23	55.9 Å²	55.9	19%	0.19	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-45.7	173.8	0	0	0	0	0	112.1	A88 V596 Q597 L598 V602 R603 C607	A88-A600 HydrophobicContact CB-CB 4.17Å; V596-A600 PolarHBondContact O-N 3.41Å; Q597-A600 WeakPolarHBondContact O-CB 3.37Å; Q597-A600 PolarHBondContact O-N 3.28Å; L598-A600 VanDerWaalsContact C-N 3.27Å; L598-A600 PolarHBondContact O-N 2.86Å; A600-V602 PolarHBondContact O-N 2.61Å; A600-R603 WeakPolarHBondContact O-CA 3.4Å; A600-R603 PolarHBondContact O-N 3.43Å; A600-C607 WeakPolarHBondContact CA-SG 3.45Å; A600-C607 WeakPolarHBondContact CB-SG 3.47Å
601	R	81.1	Confident	85.8	Confident	127 Å²	127	58.9 Å²	58.9	48%	0.479	31%	0.306	S	S	.	.	H	α-helix	trans	-64.5	-35.8	178.5	-71	-179.5	174.1	144.2	-1.9	113.2	E39 E594 Q597 L598 R603	E39-R601 IonicContact OE1-CZ 2.72Å; E39-R601 IonicContact OE1-NE 2.63Å; E39-R601 IonicContact OE1-NH2 3.08Å; E39-R601 PolarHBondContact OE1-NH2 2.77Å; E39-R601 IonicContact OE2-CZ 2.72Å; E39-R601 IonicContact OE2-NE 3.48Å; E39-R601 PolarHBondContact OE2-NE 3.38Å; E39-R601 IonicContact OE2-NH2 2.74Å; E594-R601 IonicContact OE1-NH1 3.48Å; Q597-R601 PolarHBondContact O-N 2.78Å; Q597-R601 VanDerWaalsContact O-N 3.13Å; L598-R601 PolarHBondContact O-N 3.07Å; L598-R601 VanDerWaalsContact O-N 3.13Å; R601-R603 PolarHBondContact O-N 3.06Å
602	V	84.9	Confident	85.4	Confident	115 Å²	115	53.8 Å²	53.8	70%	0.697	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	8.8	171.3	-53.7	0	0	0	0	113.7	L598 M599 A600	L598-V602 WeakPolarHBondContact O-CG2 3.46Å; L598-V602 PolarHBondContact O-N 3.25Å; M599-V602 WeakPolarHBondContact O-CG2 3.26Å; A600-V602 PolarHBondContact O-N 2.61Å
603	R	80.2	Confident	84.9	Confident	127 Å²	127	55.4 Å²	55.4	48%	0.479	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	30.5	172.6	-50.2	179.8	-173.3	164.8	1.7	115.6	A87 N188 M599 A600 R601 G605	A87-R603 HydrophobicContact CB-CB 3.56Å; A87-R603 HydrophobicContact CB-CG 3.89Å; N188-R603 PolarHBondContact ND2-NH1 3.38Å; N188-R603 PolarHBondContact ND2-NH2 2.9Å; M599-R603 PolarHBondContact O-N 3.11Å; A600-R603 WeakPolarHBondContact O-CA 3.4Å; A600-R603 PolarHBondContact O-N 3.43Å; R601-R603 PolarHBondContact O-N 3.06Å; R603-G605 PolarHBondContact O-N 2.88Å
604	S	82.6	Confident	84.4	Confident	39 Å²	39	56.7 Å²	56.7	27%	0.273	29%	0.291	S	S	.	.			trans	-77.7	103.4	168.7	-176.8	0	0	0	0	109.9	M599 S606 C607	M599-S604 WeakPolarHBondContact O-CB 3.39Å; M599-S604 PolarHBondContact O-N 2.69Å; S604-S606 PolarHBondContact O-N 3.33Å; S604-S606 VanDerWaalsContact O-N 3.08Å; S604-C607 PolarHBondContact O-N 3.39Å; S604-C607 VanDerWaalsContact O-N 3.17Å; S604-C607 PolarHBondContact O-SG 3.42Å
605	G	81.8	Confident	83.7	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.021	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-56.6	-26.7	-178.9	0	0	0	0	0	114.2	G90 L164 R603 C607 S608	G90-G605 WeakPolarHBondContact CA-O 3.46Å; L164-G605 WeakPolarHBondContact O-CA 3.42Å; L164-G605 PolarHBondContact O-N 3.29Å; R603-G605 PolarHBondContact O-N 2.88Å; G605-C607 PolarHBondContact O-N 3.32Å; G605-C607 VanDerWaalsContact O-N 3.16Å; G605-S608 PolarHBondContact O-N 2.95Å; G605-S608 PolarHBondContact O-OG 2.82Å
606	S	84.6	Confident	82.9	Confident	33 Å²	33	58.2 Å²	58.2	23%	0.231	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-57.9	-26.7	177.9	-46	0	0	0	0	114.4	S604 S608 F609 A610	S604-S606 PolarHBondContact O-N 3.33Å; S604-S606 VanDerWaalsContact O-N 3.08Å; S606-S608 PolarHBondContact O-N 3.47Å; S606-F609 PolarHBondContact O-N 3.16Å; S606-A610 PolarHBondContact O-N 2.93Å
607	C	85.4	Confident	81.1	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.014	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-60.1	-31.3	-177.5	68.3	0	0	0	0	113.2	V596 M599 A600 S604 G605 F609 A610	V596-C607 HydrophobicContact CG1-CB 4.18Å; M599-C607 HydrophobicContact CB-CB 3.75Å; A600-C607 WeakPolarHBondContact CA-SG 3.45Å; A600-C607 WeakPolarHBondContact CB-SG 3.47Å; S604-C607 PolarHBondContact O-N 3.39Å; S604-C607 VanDerWaalsContact O-N 3.17Å; S604-C607 PolarHBondContact O-SG 3.42Å; G605-C607 PolarHBondContact O-N 3.32Å; G605-C607 VanDerWaalsContact O-N 3.16Å; C607-F609 PolarHBondContact O-N 3.04Å; C607-A610 PolarHBondContact O-N 2.74Å; C607-A610 VanDerWaalsContact O-N 3.07Å
608	S	87.1	Confident	80.9	Confident	12 Å²	12	66.7 Å²	66.7	8%	0.084	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-56.7	-31.8	179.2	57.9	0	0	0	0	113.6	A88 G90 G605 S606	A88-S608 WeakPolarHBondContact O-CB 3.38Å; G90-S608 WeakPolarHBondContact CA-OG 3.42Å; G605-S608 PolarHBondContact O-N 2.95Å; G605-S608 PolarHBondContact O-OG 2.82Å; S606-S608 PolarHBondContact O-N 3.47Å
609	F	88.7	Confident	80.6	Confident	12 Å²	12	65.7 Å²	65.7	5%	0.053	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-103	-1.5	-179.7	-59.4	-72.3	0	0	0	113.2	I91 I165 M219 R223 I226 S606 C607	I91-F609 HydrophobicContact CB-CZ 4.48Å; I91-F609 HydrophobicContact CD1-CE2 4.12Å; I91-F609 HydrophobicContact CD1-CZ 3.88Å; I91-F609 HydrophobicContact CG1-CE2 4.18Å; I91-F609 HydrophobicContact CG1-CZ 4.18Å; I165-F609 HydrophobicContact CD1-CD2 3.81Å; I165-F609 HydrophobicContact CD1-CE2 3.77Å; M219-F609 HydrophobicContact CB-CE1 4.38Å; R223-F609 HydrophobicContact CB-CD1 3.7Å; R223-F609 HydrophobicContact CB-CE1 4.28Å; R223-F609 HydrophobicContact CG-CD1 3.96Å; I226-F609 HydrophobicContact CB-CB 3.95Å; I226-F609 HydrophobicContact CG1-CB 4.01Å; I226-F609 HydrophobicContact CG1-CD2 4.37Å; I226-F609 HydrophobicContact CG1-CG 4.47Å; I226-F609 HydrophobicContact CG2-CB 3.97Å; S606-F609 PolarHBondContact O-N 3.16Å; C607-F609 PolarHBondContact O-N 3.04Å
610	A	85.9	Confident	80.2	Confident	14 Å²	14	66 Å²	66	12%	0.116	33%	0.326	C	S	.	.			trans	-102.1	32.1	-177.6	0	0	0	0	0	113	I230 S606 C607 I612	I230-A610 HydrophobicContact CD1-CB 3.96Å; S606-A610 PolarHBondContact O-N 2.93Å; C607-A610 PolarHBondContact O-N 2.74Å; C607-A610 VanDerWaalsContact O-N 3.07Å; A610-I612 PolarHBondContact O-N 2.73Å
611	R	80.4	Confident	80.2	Confident	96 Å²	96	68.5 Å²	68.5	36%	0.362	33%	0.334	S	S	.	.			trans	-63.9	124.2	178.6	-72.5	-168.9	62.3	167.8	-1.9	111	D613 N614 F615	R611-D613 VanDerWaalsContact C-N 3.31Å; R611-D613 IonicContact CZ-OD2 2.7Å; R611-D613 IonicContact NE-OD2 3.46Å; R611-D613 PolarHBondContact NE-OD2 3.35Å; R611-D613 IonicContact NH2-OD2 2.79Å; R611-D613 PolarHBondContact NH2-OD2 2.99Å; R611-D613 PolarHBondContact O-N 3.46Å; R611-N614 WeakPolarHBondContact O-CB 3.33Å; R611-N614 PolarHBondContact O-N 2.95Å; R611-F615 WeakPolarHBondContact O-CD2 3.21Å
612	I	83.3	Confident	80.1	Confident	28 Å²	28	64.9 Å²	64.9	14%	0.144	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-64.4	-34.5	-176.2	-73.6	151.2	0	0	0	112.7	L589 A592 T593 V596 A610 N614 F615 L616	L589-I612 HydrophobicContact CD1-CG2 3.55Å; A592-I612 HydrophobicContact CB-CD1 3.57Å; A592-I612 HydrophobicContact CB-CG1 4.39Å; A592-I612 WeakPolarHBondContact O-CD1 3.41Å; T593-I612 VanDerWaalsContact CA-CD1 3.43Å; V596-I612 HydrophobicContact CG2-CD1 3.95Å; V596-I612 HydrophobicContact CG2-CG1 4.39Å; A610-I612 PolarHBondContact O-N 2.73Å; I612-N614 PolarHBondContact O-N 2.93Å; I612-N614 VanDerWaalsContact O-N 3.11Å; I612-F615 PolarHBondContact O-N 2.74Å; I612-L616 HydrophobicContact CG2-CD1 4.19Å; I612-L616 HydrophobicContact CG2-CG 4.28Å
613	D	80.4	Confident	79.8	Confident	75 Å²	75	61.5 Å²	61.5	40%	0.401	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-51.2	-37.4	176.4	-46.9	-45.1	0	0	0	111.8	R611 F615 L616 H617	R611-D613 VanDerWaalsContact C-N 3.31Å; R611-D613 IonicContact CZ-OD2 2.7Å; R611-D613 IonicContact NE-OD2 3.46Å; R611-D613 PolarHBondContact NE-OD2 3.35Å; R611-D613 IonicContact NH2-OD2 2.79Å; R611-D613 PolarHBondContact NH2-OD2 2.99Å; R611-D613 PolarHBondContact O-N 3.46Å; D613-F615 PolarHBondContact O-N 2.85Å; D613-F615 VanDerWaalsContact O-N 3.15Å; D613-L616 PolarHBondContact O-N 2.83Å; D613-L616 VanDerWaalsContact O-N 3.12Å; D613-H617 PolarHBondContact O-CD2 3.15Å
614	N	78.1	Confident	79.7	Confident	74 Å²	74	56.9 Å²	56.9	40%	0.396	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-64.4	-18.3	179	-58.3	-4.5	0	0	0	113.7	R611 I612	R611-N614 WeakPolarHBondContact O-CB 3.33Å; R611-N614 PolarHBondContact O-N 2.95Å; I612-N614 PolarHBondContact O-N 2.93Å; I612-N614 VanDerWaalsContact O-N 3.11Å
615	F	74.8	Confident	79.5	Confident	78 Å²	78	58.2 Å²	58.2	34%	0.342	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-104.4	4.4	179.8	-58.9	-90.2	0	0	0	112.8	H227 I230 R611 I612 D613	H227-F615 AromaticContact CD2-CE1 3.32Å; H227-F615 WeakPolarHBondContact CD2-CE1 3.34Å; H227-F615 AromaticContact CD2-CZ 3.5Å; H227-F615 AromaticContact NE2-CD1 3.66Å; H227-F615 AromaticContact NE2-CE1 3.28Å; H227-F615 VanDerWaalsContact NE2-CE1 3.28Å; H227-F615 WeakPolarHBondContact NE2-CE1 3.21Å; H227-F615 AromaticContact NE2-CZ 3.96Å; I230-F615 HydrophobicContact CB-CE1 4.39Å; I230-F615 HydrophobicContact CB-CZ 4.21Å; I230-F615 HydrophobicContact CD1-CE2 4.47Å; I230-F615 HydrophobicContact CD1-CZ 3.87Å; I230-F615 HydrophobicContact CG2-CE1 3.84Å; I230-F615 HydrophobicContact CG2-CZ 3.83Å; R611-F615 WeakPolarHBondContact O-CD2 3.21Å; I612-F615 PolarHBondContact O-N 2.74Å; D613-F615 PolarHBondContact O-N 2.85Å; D613-F615 VanDerWaalsContact O-N 3.15Å
616	L	73	Confident	79.3	Confident	103 Å²	103	62.9 Å²	62.9	54%	0.539	31%	0.311	S	S	.	.			trans	-104.6	6.4	179.3	-62.6	179.6	0	0	0	113.4	L589 I612 D613	L589-L616 HydrophobicContact CD1-CD1 4.2Å; L589-L616 HydrophobicContact CD1-CD2 4.04Å; L589-L616 HydrophobicContact CD2-CD1 4.43Å; I612-L616 HydrophobicContact CG2-CD1 4.19Å; I612-L616 HydrophobicContact CG2-CG 4.28Å; D613-L616 PolarHBondContact O-N 2.83Å; D613-L616 VanDerWaalsContact O-N 3.12Å
617	H	50.3	Low	78.9	Confident	228 Å²	228	65.6 Å²	65.6	100%	1.056	32%	0.319	S	S	*	.			trans	-102.2	0	-175.6	-73.9	-56.4	0	0	0	112.8	D613	D613-H617 PolarHBondContact O-CD2 3.15Å

Retrieved 617 of 617 residues in 362.5 ms (Link to these results)

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