A0A093HQ59_STRCA Loading...

Tryptophan--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A093HQ59, Species STRCA (Struthio camelus australis), Gene n/a, Length 473 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	33.4	Very low	43.3	Very low	248 Å²	248	140.2 Å²	140.2	100%	1.222	76%	0.76	S	S	*	*				0	105.4	0	-66.7	-177.2	-152.3	0	0	105.8
2	A	27.9	Very low	45.9	Very low	95 Å²	95	131.1 Å²	131.1	79%	0.785	71%	0.71	S	S	*	*			trans	-92.1	114.7	-169.1	0	0	0	0	0	109.8
3	D	35.7	Very low	48.7	Very low	167 Å²	167	124.8 Å²	124.8	89%	0.893	68%	0.682	S	S	*	*			trans	-104.1	98	163	-92.5	-32.9	0	0	0	107.7
4	I	32.9	Very low	51.2	Low	159 Å²	159	119.9 Å²	119.9	82%	0.815	66%	0.66	S	S	*	*			trans	-139.2	130.5	166.8	-56.7	-178.6	0	0	0	106.9
5	Q	38.2	Very low	53.5	Low	173 Å²	173	117.7 Å²	117.7	81%	0.808	65%	0.646	S	S	*	*			trans	83.8	62.5	-176.3	-68.1	179.5	-23.6	0	0	117.7
6	N	39.2	Very low	55.5	Low	160 Å²	160	115.9 Å²	115.9	86%	0.856	63%	0.631	S	S	*	*			trans	-110.1	76.3	138.7	-116.9	-13.4	0	0	0	107.3
7	C	41.3	Very low	57.2	Low	105 Å²	105	109.1 Å²	109.1	71%	0.709	59%	0.594	S	S	*	*			trans	-70.9	136.1	170.6	-164.4	0	0	0	0	107.8	L9	C7-L9 PolarHBondContact O-N 2.78Å
8	D	53.8	Low	59	Low	107 Å²	107	104.1 Å²	104.1	57%	0.572	57%	0.566	S	S	*	*			trans	-63.8	82.3	-162	-159.3	-0.9	0	0	0	113.6	K10 S11	D8-K10 PolarHBondContact O-N 3.2Å; D8-S11 PolarHBondContact O-N 3.27Å; D8-S11 VanDerWaalsContact O-N 3.16Å; D8-S11 PolarHBondContact O-OG 3.47Å
9	L	56.3	Low	60.6	Low	41 Å²	41	104.3 Å²	104.3	22%	0.215	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-57.5	-17.2	-179.1	-77.2	162.6	0	0	0	113.5	C7 S11 L12 L17 L51	C7-L9 PolarHBondContact O-N 2.78Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-S11 PolarHBondContact O-N 3.15Å; L9-L12 HydrophobicContact CD2-CD1 4.03Å; L9-L17 HydrophobicContact CD2-CD2 4.39Å; L9-L51 HydrophobicContact CD2-CD2 3.58Å
10	K	55	Low	62	Low	198 Å²	198	103.3 Å²	103.3	86%	0.861	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-78.7	-8.9	-179.6	-68	-177.6	177.8	179.9	0	113.9	D8	D8-K10 PolarHBondContact O-N 3.2Å
11	S	62.3	Low	63.4	Low	89 Å²	89	98.4 Å²	98.4	62%	0.622	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-102	-3.3	-177.9	66.4	0	0	0	0	114.6	D8 L9	D8-S11 PolarHBondContact O-N 3.27Å; D8-S11 VanDerWaalsContact O-N 3.16Å; D8-S11 PolarHBondContact O-OG 3.47Å; L9-S11 VanDerWaalsContact C-N 3.29Å; L9-S11 PolarHBondContact O-N 3.15Å
12	L	74.8	Confident	66.1	Low	31 Å²	31	88.2 Å²	88.2	16%	0.162	48%	0.479	C	S	.	.			trans	-85.9	139.6	-173.8	-64.4	172.1	0	0	0	112	L9 Q16 L17 K20	L9-L12 HydrophobicContact CD2-CD1 4.03Å; L12-Q16 HydrophobicContact CB-CB 4.31Å; L12-Q16 HydrophobicContact CD2-CB 4.37Å; L12-L17 HydrophobicContact CB-CD1 4.39Å; L12-L17 HydrophobicContact CB-CD2 4.13Å; L12-L17 HydrophobicContact CB-CG 3.82Å; L12-L17 HydrophobicContact CD1-CD2 3.98Å; L12-L17 HydrophobicContact CD1-CG 4.5Å; L12-K20 HydrophobicContact CD1-CD 3.97Å
13	S	82.8	Confident	69	Low	50 Å²	50	90.2 Å²	90.2	35%	0.35	47%	0.472	S	S	.	.			trans	-67.5	157.9	175.1	77.7	0	0	0	0	111.7	L15 Q16 L17	S13-L15 PolarHBondContact O-N 3.15Å; S13-Q16 PolarHBondContact O-N 2.86Å; S13-Q16 VanDerWaalsContact O-N 3.13Å; S13-Q16 WeakPolarHBondContact OG-CG 3.41Å; S13-Q16 PolarHBondContact OG-N 2.55Å; S13-Q16 PolarHBondContact OG-OE1 2.78Å; S13-L17 PolarHBondContact O-N 2.97Å
14	P	83.6	Confident	71.8	Confident	56 Å²	56	83 Å²	83	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-50.9	-39.6	175.5	-32	38.3	0	0	0	114.2	F18 T58 T59 P69	P14-F18 WeakPolarHBondContact O-CB 2.98Å; P14-F18 PolarHBondContact O-N 3.23Å; P14-T58 HydrophobicContact CG-CG2 4.39Å; P14-T59 HydrophobicContact CB-CG2 3.84Å; P14-T59 HydrophobicContact CG-CG2 4.34Å; P14-P69 HydrophobicContact CB-CB 4.1Å; P14-P69 HydrophobicContact CB-CG 3.64Å
15	L	84.8	Confident	74.6	Confident	86 Å²	86	76.1 Å²	76.1	45%	0.45	40%	0.401	S	S	.	.	H	α-helix	trans	-70.2	-43	178.4	-173.6	63.7	0	0	0	111.9	S13 L17 F18 E19 P68	S13-L15 PolarHBondContact O-N 3.15Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 2.62Å; L15-F18 WeakPolarHBondContact O-CB 3.33Å; L15-F18 PolarHBondContact O-N 2.71Å; L15-F18 VanDerWaalsContact O-N 3.11Å; L15-E19 WeakPolarHBondContact O-CG 3.3Å; L15-E19 PolarHBondContact O-N 3.26Å; L15-P68 HydrophobicContact CD1-CB 4Å
16	Q	85.3	Confident	77.1	Confident	89 Å²	89	73.1 Å²	73.1	42%	0.416	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-36.8	176	-71.4	172.1	-27.8	0	0	112.1	L12 S13 K20	L12-Q16 HydrophobicContact CB-CB 4.31Å; L12-Q16 HydrophobicContact CD2-CB 4.37Å; S13-Q16 PolarHBondContact O-N 2.86Å; S13-Q16 VanDerWaalsContact O-N 3.13Å; S13-Q16 WeakPolarHBondContact OG-CG 3.41Å; S13-Q16 PolarHBondContact OG-N 2.55Å; S13-Q16 PolarHBondContact OG-OE1 2.78Å; Q16-K20 WeakPolarHBondContact O-CG 3.35Å; Q16-K20 PolarHBondContact O-N 3.06Å; Q16-K20 VanDerWaalsContact O-N 3.14Å
17	L	85.2	Confident	79.6	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-39.9	173	-76.1	166.4	0	0	0	111.3	L9 L12 S13 L15 K20 V21 Y55 T58	L9-L17 HydrophobicContact CD2-CD2 4.39Å; L12-L17 HydrophobicContact CB-CD1 4.39Å; L12-L17 HydrophobicContact CB-CD2 4.13Å; L12-L17 HydrophobicContact CB-CG 3.82Å; L12-L17 HydrophobicContact CD1-CD2 3.98Å; L12-L17 HydrophobicContact CD1-CG 4.5Å; S13-L17 PolarHBondContact O-N 2.97Å; L15-L17 VanDerWaalsContact C-N 3.3Å; L15-L17 PolarHBondContact O-N 2.62Å; L17-K20 PolarHBondContact O-N 3.34Å; L17-V21 WeakPolarHBondContact O-CG2 3.45Å; L17-V21 PolarHBondContact O-N 2.78Å; L17-Y55 HydrophobicContact CB-CD2 3.89Å; L17-T58 HydrophobicContact CD1-CG2 3.98Å
18	F	89.6	Confident	82	Confident	19 Å²	19	66.5 Å²	66.5	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-47.1	176.1	179.6	-96.8	0	0	0	112.4	P14 L15 V21 T22 Y55 Y63 Q64 L67 P68 P69	P14-F18 WeakPolarHBondContact O-CB 2.98Å; P14-F18 PolarHBondContact O-N 3.23Å; L15-F18 WeakPolarHBondContact O-CB 3.33Å; L15-F18 PolarHBondContact O-N 2.71Å; L15-F18 VanDerWaalsContact O-N 3.11Å; F18-V21 PolarHBondContact O-N 2.72Å; F18-T22 WeakPolarHBondContact O-CB 3.38Å; F18-T22 PolarHBondContact O-N 3.42Å; F18-T22 PolarHBondContact O-OG1 2.9Å; F18-Y55 HydrophobicContact CB-CD2 4.46Å; F18-Y55 HydrophobicContact CB-CE2 3.84Å; F18-Y55 HydrophobicContact CD2-CE2 4.24Å; F18-Y63 AromaticContact CD2-CD2 3.86Å; F18-Y63 HydrophobicContact CD2-CD2 3.86Å; F18-Y63 AromaticContact CD2-CE2 3.66Å; F18-Y63 HydrophobicContact CD2-CE2 3.66Å; F18-Y63 HydrophobicContact CE2-CD2 4.05Å; F18-Y63 AromaticContact CE2-CE2 3.58Å; F18-Y63 HydrophobicContact CE2-CE2 3.58Å; F18-Y63 HydrophobicContact CG-CE2 4.46Å; F18-Y63 HydrophobicContact CZ-CE2 4.35Å; F18-Q64 WeakPolarHBondContact CE2-O 3.14Å; F18-L67 VanDerWaalsContact CE2-C 3.42Å; F18-L67 WeakPolarHBondContact CE2-O 3.26Å; F18-P68 HydrophobicContact CD1-CB 3.95Å; F18-P68 HydrophobicContact CE1-CB 3.88Å; F18-P68 HydrophobicContact CG-CB 4.36Å; F18-P68 HydrophobicContact CZ-CB 4.22Å; F18-P69 HydrophobicContact CB-CG 4.39Å
19	E	88.7	Confident	83.9	Confident	109 Å²	109	68.9 Å²	68.9	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-46	178.1	-70.8	172.9	166.7	0	0	111.5	L15 V21 T22 E23	L15-E19 WeakPolarHBondContact O-CG 3.3Å; L15-E19 PolarHBondContact O-N 3.26Å; E19-V21 PolarHBondContact O-N 2.93Å; E19-T22 WeakPolarHBondContact O-CB 3.5Å; E19-T22 PolarHBondContact O-N 3.35Å; E19-T22 VanDerWaalsContact O-N 3.1Å; E19-E23 PolarHBondContact O-N 3.47Å
20	K	89.1	Confident	85.5	Confident	83 Å²	83	70 Å²	70	36%	0.361	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-37.4	177.5	-73.8	-172.3	-179.4	-172.3	0	113.2	L12 Q16 L17 T22 Q24 L51	L12-K20 HydrophobicContact CD1-CD 3.97Å; Q16-K20 WeakPolarHBondContact O-CG 3.35Å; Q16-K20 PolarHBondContact O-N 3.06Å; Q16-K20 VanDerWaalsContact O-N 3.14Å; L17-K20 PolarHBondContact O-N 3.34Å; K20-T22 VanDerWaalsContact C-N 3.31Å; K20-Q24 VanDerWaalsContact O-CB 3.26Å; K20-Q24 WeakPolarHBondContact O-CB 3.43Å; K20-Q24 PolarHBondContact O-N 3.47Å; K20-L51 HydrophobicContact CB-CD1 4.46Å; K20-L51 HydrophobicContact CB-CD2 4.24Å
21	V	91.8	Very high	87.1	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-65.9	-38.3	173.9	176.4	0	0	0	0	110.7	L17 F18 E19 G25 L48 L51 K52 Y63	L17-V21 WeakPolarHBondContact O-CG2 3.45Å; L17-V21 PolarHBondContact O-N 2.78Å; F18-V21 PolarHBondContact O-N 2.72Å; E19-V21 PolarHBondContact O-N 2.93Å; V21-G25 PolarHBondContact O-N 2.83Å; V21-L48 HydrophobicContact CG1-CD1 4.1Å; V21-L48 WeakPolarHBondContact O-CD1 3.21Å; V21-L51 HydrophobicContact CG2-CB 3.7Å; V21-K52 HydrophobicContact CG1-CD 4.46Å; V21-K52 HydrophobicContact CG1-CG 3.64Å; V21-K52 HydrophobicContact CG2-CG 4.42Å; V21-Y63 HydrophobicContact CB-CD2 3.81Å; V21-Y63 HydrophobicContact CB-CE2 3.81Å; V21-Y63 HydrophobicContact CB-CG 4.39Å; V21-Y63 HydrophobicContact CG1-CD1 3.75Å; V21-Y63 HydrophobicContact CG1-CD2 3.39Å; V21-Y63 HydrophobicContact CG1-CE1 3.86Å; V21-Y63 HydrophobicContact CG1-CE2 3.5Å; V21-Y63 HydrophobicContact CG1-CG 3.51Å; V21-Y63 HydrophobicContact CG2-CD2 4.47Å
22	T	89.6	Confident	88.4	Confident	35 Å²	35	64.4 Å²	64.4	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-52.6	178.6	-56.4	0	0	0	0	111.1	F18 E19 K20 Q24 G25 E26 Y63	F18-T22 WeakPolarHBondContact O-CB 3.38Å; F18-T22 PolarHBondContact O-N 3.42Å; F18-T22 PolarHBondContact O-OG1 2.9Å; E19-T22 WeakPolarHBondContact O-CB 3.5Å; E19-T22 PolarHBondContact O-N 3.35Å; E19-T22 VanDerWaalsContact O-N 3.1Å; K20-T22 VanDerWaalsContact C-N 3.31Å; T22-Q24 PolarHBondContact O-N 3.4Å; T22-G25 WeakPolarHBondContact O-CA 3.48Å; T22-G25 PolarHBondContact O-N 3.43Å; T22-G25 VanDerWaalsContact O-N 3.12Å; T22-E26 PolarHBondContact O-N 3.23Å; T22-Y63 PolarHBondContact OG1-OH 2.89Å; T22-Y63 VanDerWaalsContact OG1-OH 3.07Å
23	E	89.6	Confident	89.2	Confident	137 Å²	137	67 Å²	67	64%	0.64	35%	0.348	S	S	*	.	H	α-helix	trans	-59.2	-47.6	178.9	-173.7	-172	179.7	0	0	111.5	E19 G25 E26 K27	E19-E23 PolarHBondContact O-N 3.47Å; E23-G25 VanDerWaalsContact C-N 3.25Å; E23-G25 PolarHBondContact O-N 3.25Å; E23-E26 WeakPolarHBondContact O-CB 3.38Å; E23-E26 PolarHBondContact O-N 3.31Å; E23-E26 VanDerWaalsContact O-N 3.13Å; E23-K27 PolarHBondContact O-N 2.95Å
24	Q	93.6	Very high	89.4	Confident	15 Å²	15	67.5 Å²	67.5	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-65.5	-31.1	178.5	-171.8	64.1	14	0	0	111.9	K20 T22 K27 V28 A44 M47 L48 L51	K20-Q24 VanDerWaalsContact O-CB 3.26Å; K20-Q24 WeakPolarHBondContact O-CB 3.43Å; K20-Q24 PolarHBondContact O-N 3.47Å; T22-Q24 PolarHBondContact O-N 3.4Å; Q24-K27 PolarHBondContact O-N 3.45Å; Q24-V28 WeakPolarHBondContact O-CG2 3.4Å; Q24-V28 PolarHBondContact O-N 3.05Å; Q24-V28 VanDerWaalsContact O-N 3.08Å; Q24-A44 PolarHBondContact NE2-O 2.94Å; Q24-M47 HydrophobicContact CG-CG 4.43Å; Q24-L48 HydrophobicContact CB-CD1 4.15Å; Q24-L48 HydrophobicContact CG-CB 3.91Å; Q24-L48 HydrophobicContact CG-CD1 4.21Å; Q24-L51 HydrophobicContact CB-CD1 3.81Å; Q24-L51 HydrophobicContact CG-CD1 4.03Å
25	G	92.1	Very high	89.8	Confident	15 Å²	15	74 Å²	74	16%	0.155	38%	0.384	C	S	.	.	H	α-helix	trans	-67.4	-36.6	173.1	0	0	0	0	0	113.3	V21 T22 E23 R29	V21-G25 PolarHBondContact O-N 2.83Å; T22-G25 WeakPolarHBondContact O-CA 3.48Å; T22-G25 PolarHBondContact O-N 3.43Å; T22-G25 VanDerWaalsContact O-N 3.12Å; E23-G25 VanDerWaalsContact C-N 3.25Å; E23-G25 PolarHBondContact O-N 3.25Å; G25-R29 WeakPolarHBondContact O-CG 3.25Å; G25-R29 PolarHBondContact O-N 2.9Å; G25-R29 VanDerWaalsContact O-N 3.17Å; G25-R29 PolarHBondContact O-NE 2.99Å
26	E	90.8	Very high	90	Very high	109 Å²	109	71.1 Å²	71.1	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-67.5	-42.6	171.9	-71.8	-178.2	172.9	0	0	112	T22 E23 V28 R29 A30	T22-E26 PolarHBondContact O-N 3.23Å; E23-E26 WeakPolarHBondContact O-CB 3.38Å; E23-E26 PolarHBondContact O-N 3.31Å; E23-E26 VanDerWaalsContact O-N 3.13Å; E26-V28 VanDerWaalsContact C-N 3.34Å; E26-V28 PolarHBondContact O-N 2.83Å; E26-R29 WeakPolarHBondContact O-CB 3.36Å; E26-R29 PolarHBondContact O-N 3.38Å; E26-R29 VanDerWaalsContact O-N 3.09Å; E26-R29 IonicContact OE1-NH2 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.49Å; E26-A30 PolarHBondContact O-N 3.43Å
27	K	90.6	Very high	90.5	Very high	118 Å²	118	70 Å²	70	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-57.7	-44.5	174.9	-171.4	173.1	-178.7	174.6	0	112.3	E23 Q24 R29 A30 L31	E23-K27 PolarHBondContact O-N 2.95Å; Q24-K27 PolarHBondContact O-N 3.45Å; K27-R29 VanDerWaalsContact C-N 3.35Å; K27-R29 PolarHBondContact O-N 2.65Å; K27-A30 PolarHBondContact O-N 3.46Å; K27-L31 HydrophobicContact CG-CD1 4.24Å; K27-L31 WeakPolarHBondContact O-CB 3.49Å; K27-L31 VanDerWaalsContact O-CG 3.3Å; K27-L31 WeakPolarHBondContact O-CG 3.44Å; K27-L31 PolarHBondContact O-N 3.12Å
28	V	92.2	Very high	90.6	Very high	9 Å²	9	77.7 Å²	77.7	6%	0.055	41%	0.406	C	S	.	.	H	α-helix	trans	-63.2	-39.8	175.3	171.1	0	0	0	0	111.7	Q24 E26 K32 A44 V45 L48	Q24-V28 WeakPolarHBondContact O-CG2 3.4Å; Q24-V28 PolarHBondContact O-N 3.05Å; Q24-V28 VanDerWaalsContact O-N 3.08Å; E26-V28 VanDerWaalsContact C-N 3.34Å; E26-V28 PolarHBondContact O-N 2.83Å; V28-K32 HydrophobicContact CG1-CD 4.22Å; V28-K32 WeakPolarHBondContact O-CB 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.25Å; V28-K32 PolarHBondContact O-N 3.01Å; V28-K32 VanDerWaalsContact O-N 3.1Å; V28-A44 HydrophobicContact CG2-CB 3.82Å; V28-V45 HydrophobicContact CG1-CG2 3.8Å; V28-V45 HydrophobicContact CG2-CG2 4.14Å; V28-L48 HydrophobicContact CG2-CB 4.47Å; V28-L48 HydrophobicContact CG2-CD2 4.14Å
29	R	93.6	Very high	90.6	Very high	156 Å²	156	82.1 Å²	82.1	59%	0.589	43%	0.43	S	S	*	.	H	α-helix	trans	-65.1	-43.7	176.7	-76.9	-178	-76	-172.7	2.6	111.7	G25 E26 K27 K32 A33	G25-R29 WeakPolarHBondContact O-CG 3.25Å; G25-R29 PolarHBondContact O-N 2.9Å; G25-R29 VanDerWaalsContact O-N 3.17Å; G25-R29 PolarHBondContact O-NE 2.99Å; E26-R29 WeakPolarHBondContact O-CB 3.36Å; E26-R29 PolarHBondContact O-N 3.38Å; E26-R29 VanDerWaalsContact O-N 3.09Å; E26-R29 IonicContact OE1-NH2 3.29Å; K27-R29 VanDerWaalsContact C-N 3.35Å; K27-R29 PolarHBondContact O-N 2.65Å; R29-K32 PolarHBondContact O-N 2.61Å; R29-A33 WeakPolarHBondContact O-CB 3.23Å; R29-A33 PolarHBondContact O-N 3.06Å
30	A	89.8	Confident	90.5	Very high	65 Å²	65	81.7 Å²	81.7	54%	0.537	43%	0.428	S	S	.	.	H	α-helix	trans	-62.7	-46	177.2	0	0	0	0	0	112	E26 K27 K32 A33 G34	E26-A30 WeakPolarHBondContact O-CB 3.49Å; E26-A30 PolarHBondContact O-N 3.43Å; K27-A30 PolarHBondContact O-N 3.46Å; A30-K32 PolarHBondContact O-N 3.36Å; A30-A33 PolarHBondContact O-N 3.47Å; A30-G34 PolarHBondContact O-N 2.89Å
31	L	90.3	Very high	90.4	Very high	38 Å²	38	78.6 Å²	78.6	20%	0.199	42%	0.417	C	S	.	.	H	α-helix	trans	-62.3	-40.4	177.8	-71	171	0	0	0	112.4	K27 K35 A36 V41 A44	K27-L31 HydrophobicContact CG-CD1 4.24Å; K27-L31 WeakPolarHBondContact O-CB 3.49Å; K27-L31 VanDerWaalsContact O-CG 3.3Å; K27-L31 WeakPolarHBondContact O-CG 3.44Å; K27-L31 PolarHBondContact O-N 3.12Å; L31-K35 PolarHBondContact O-N 3.28Å; L31-A36 HydrophobicContact CB-CB 4.09Å; L31-A36 HydrophobicContact CD2-CB 3.77Å; L31-A36 WeakPolarHBondContact O-CB 3.22Å; L31-A36 PolarHBondContact O-N 3.2Å; L31-V41 HydrophobicContact CB-CG2 4.13Å; L31-A44 HydrophobicContact CD1-CB 3.72Å
32	K	89.3	Confident	90.1	Very high	131 Å²	131	82 Å²	82	57%	0.57	44%	0.435	S	S	*	.	H	α-helix	trans	-67.6	-41.9	175.9	-74.4	-179.2	176.7	-175.2	0	112.5	V28 R29 A30 G34 K35 V41	V28-K32 HydrophobicContact CG1-CD 4.22Å; V28-K32 WeakPolarHBondContact O-CB 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.25Å; V28-K32 PolarHBondContact O-N 3.01Å; V28-K32 VanDerWaalsContact O-N 3.1Å; R29-K32 PolarHBondContact O-N 2.61Å; A30-K32 PolarHBondContact O-N 3.36Å; K32-G34 VanDerWaalsContact C-N 3.33Å; K32-K35 PolarHBondContact O-N 2.82Å; K32-V41 HydrophobicContact CG-CG1 3.97Å
33	A	89.8	Confident	90.1	Very high	86 Å²	86	82.7 Å²	82.7	71%	0.711	44%	0.444	S	S	*	.	H	α-helix	trans	-66.3	-36.7	177.2	0	0	0	0	0	112.1	R29 A30 K35	R29-A33 WeakPolarHBondContact O-CB 3.23Å; R29-A33 PolarHBondContact O-N 3.06Å; A30-A33 PolarHBondContact O-N 3.47Å; A33-K35 VanDerWaalsContact C-N 3.26Å; A33-K35 PolarHBondContact O-N 3.4Å
34	G	88	Confident	89.9	Confident	61 Å²	61	76.6 Å²	76.6	63%	0.629	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	1.4	177.1	0	0	0	0	0	115.3	A30 K32 A36	A30-G34 PolarHBondContact O-N 2.89Å; K32-G34 VanDerWaalsContact C-N 3.33Å; G34-A36 PolarHBondContact O-N 3.3Å
35	K	91.5	Very high	89.8	Confident	193 Å²	193	77.9 Å²	77.9	84%	0.839	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40.5	-176.1	-58.5	-179.8	179.4	177.8	0	113	L31 K32 A33	L31-K35 PolarHBondContact O-N 3.28Å; K32-K35 PolarHBondContact O-N 2.82Å; A33-K35 VanDerWaalsContact C-N 3.26Å; A33-K35 PolarHBondContact O-N 3.4Å
36	A	89.8	Confident	89.7	Confident	25 Å²	25	85.3 Å²	85.3	21%	0.207	45%	0.449	C	S	.	.			trans	-60.3	158.6	177.2	0	0	0	0	0	111.9	L31 G34 V41	L31-A36 HydrophobicContact CB-CB 4.09Å; L31-A36 HydrophobicContact CD2-CB 3.77Å; L31-A36 WeakPolarHBondContact O-CB 3.22Å; L31-A36 PolarHBondContact O-N 3.2Å; G34-A36 PolarHBondContact O-N 3.3Å; A36-V41 HydrophobicContact CB-CG2 4.27Å
37	P	94.6	Very high	89.6	Confident	66 Å²	66	84.7 Å²	84.7	43%	0.429	45%	0.447	S	S	.	.			trans	-52.3	143.2	175.7	-26.5	36	0	0	0	112.8	D39 E40 V41	P37-D39 VanDerWaalsContact C-N 3.27Å; P37-D39 WeakPolarHBondContact CB-OD1 3.19Å; P37-D39 PolarHBondContact O-N 2.89Å; P37-E40 HydrophobicContact CB-CG 4.38Å; P37-E40 PolarHBondContact O-N 3.39Å; P37-E40 VanDerWaalsContact O-N 3.12Å; P37-V41 PolarHBondContact O-N 3.24Å; P37-V41 VanDerWaalsContact O-N 3.15Å
38	K	88.8	Confident	89.7	Confident	161 Å²	161	80.2 Å²	80.2	70%	0.7	43%	0.429	S	S	*	.	H	α-helix	trans	-60.7	-37.7	-172.5	-176.5	177.9	176	-177	0	112.3	V41 D42	K38-V41 PolarHBondContact O-N 2.89Å; K38-D42 WeakPolarHBondContact O-CB 3.3Å; K38-D42 PolarHBondContact O-N 2.96Å
39	D	88.9	Confident	89.6	Confident	111 Å²	111	85 Å²	85	59%	0.594	45%	0.453	S	S	*	.	H	α-helix	trans	-62.4	-38.3	176.3	54.2	-44.1	0	0	0	113.3	P37 A43	P37-D39 VanDerWaalsContact C-N 3.27Å; P37-D39 WeakPolarHBondContact CB-OD1 3.19Å; P37-D39 PolarHBondContact O-N 2.89Å; D39-A43 WeakPolarHBondContact O-CB 3.37Å; D39-A43 PolarHBondContact O-N 3.19Å
40	E	85.9	Confident	89.3	Confident	100 Å²	100	80.3 Å²	80.3	47%	0.467	45%	0.445	S	S	.	.	H	α-helix	trans	-69.6	-42	174.4	-69.5	-177.6	-160.5	0	0	112	P37 D42 A43 A44	P37-E40 HydrophobicContact CB-CG 4.38Å; P37-E40 PolarHBondContact O-N 3.39Å; P37-E40 VanDerWaalsContact O-N 3.12Å; E40-D42 VanDerWaalsContact C-N 3.35Å; E40-A43 PolarHBondContact O-N 2.82Å; E40-A44 WeakPolarHBondContact O-CB 3.32Å; E40-A44 PolarHBondContact O-N 3.47Å
41	V	87.2	Confident	89.4	Confident	19 Å²	19	77.6 Å²	77.6	12%	0.115	42%	0.421	C	S	.	.	H	α-helix	trans	-62.7	-44	174.8	178	0	0	0	0	110.3	L31 K32 A36 P37 K38 A44 V45	L31-V41 HydrophobicContact CB-CG2 4.13Å; K32-V41 HydrophobicContact CG-CG1 3.97Å; A36-V41 HydrophobicContact CB-CG2 4.27Å; P37-V41 PolarHBondContact O-N 3.24Å; P37-V41 VanDerWaalsContact O-N 3.15Å; K38-V41 PolarHBondContact O-N 2.89Å; V41-A44 PolarHBondContact O-N 2.94Å; V41-V45 HydrophobicContact CG1-CG2 4.3Å; V41-V45 WeakPolarHBondContact O-CB 3.35Å; V41-V45 VanDerWaalsContact O-CG2 3.24Å; V41-V45 WeakPolarHBondContact O-CG2 3.37Å; V41-V45 PolarHBondContact O-N 3.33Å
42	D	86.8	Confident	89.3	Confident	73 Å²	73	79.7 Å²	79.7	39%	0.39	43%	0.429	S	S	.	.	H	α-helix	trans	-68.2	-34.7	-179.3	-72.6	-16.8	0	0	0	112.2	K38 E40 R46	K38-D42 WeakPolarHBondContact O-CB 3.3Å; K38-D42 PolarHBondContact O-N 2.96Å; E40-D42 VanDerWaalsContact C-N 3.35Å; D42-R46 WeakPolarHBondContact O-CG 3.42Å; D42-R46 PolarHBondContact O-N 3.06Å; D42-R46 VanDerWaalsContact O-N 3.11Å; D42-R46 PolarHBondContact O-NE 3.41Å
43	A	88.4	Confident	89.3	Confident	49 Å²	49	79 Å²	79	41%	0.405	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-46.1	171.3	0	0	0	0	0	111.9	D39 E40 V45 R46 M47	D39-A43 WeakPolarHBondContact O-CB 3.37Å; D39-A43 PolarHBondContact O-N 3.19Å; E40-A43 PolarHBondContact O-N 2.82Å; A43-V45 PolarHBondContact O-N 3.3Å; A43-R46 PolarHBondContact O-N 3.46Å; A43-M47 PolarHBondContact O-N 2.87Å
44	A	86.4	Confident	88.9	Confident	8 Å²	8	76.1 Å²	76.1	7%	0.066	41%	0.405	C	S	.	.	H	α-helix	trans	-66	-36.9	179.4	0	0	0	0	0	112.8	Q24 V28 L31 E40 V41 M47 L48	Q24-A44 PolarHBondContact NE2-O 2.94Å; V28-A44 HydrophobicContact CG2-CB 3.82Å; L31-A44 HydrophobicContact CD1-CB 3.72Å; E40-A44 WeakPolarHBondContact O-CB 3.32Å; E40-A44 PolarHBondContact O-N 3.47Å; V41-A44 PolarHBondContact O-N 2.94Å; A44-M47 PolarHBondContact O-N 3.14Å; A44-L48 PolarHBondContact O-N 3.23Å
45	V	90.9	Very high	88.8	Confident	42 Å²	42	73.4 Å²	73.4	26%	0.255	38%	0.376	S	S	.	.	H	α-helix	trans	-67.4	-40.8	175.5	170.2	0	0	0	0	111.5	V28 V41 A43 M47 L48 L49	V28-V45 HydrophobicContact CG1-CG2 3.8Å; V28-V45 HydrophobicContact CG2-CG2 4.14Å; V41-V45 HydrophobicContact CG1-CG2 4.3Å; V41-V45 WeakPolarHBondContact O-CB 3.35Å; V41-V45 VanDerWaalsContact O-CG2 3.24Å; V41-V45 WeakPolarHBondContact O-CG2 3.37Å; V41-V45 PolarHBondContact O-N 3.33Å; A43-V45 PolarHBondContact O-N 3.3Å; V45-M47 VanDerWaalsContact C-N 3.32Å; V45-M47 PolarHBondContact O-N 2.93Å; V45-L48 WeakPolarHBondContact O-CB 3.34Å; V45-L48 PolarHBondContact O-N 2.86Å; V45-L49 HydrophobicContact CG1-CD1 4.24Å; V45-L49 HydrophobicContact CG1-CG 4.49Å; V45-L49 WeakPolarHBondContact O-CG 3.45Å; V45-L49 PolarHBondContact O-N 3.38Å
46	R	90.6	Very high	88.6	Confident	171 Å²	171	68.4 Å²	68.4	65%	0.645	35%	0.354	S	S	*	.	H	α-helix	trans	-59.5	-42.6	175.2	-80.2	-178	-73.8	-175.6	-0.9	112.1	D42 A43 L49 S50	D42-R46 WeakPolarHBondContact O-CG 3.42Å; D42-R46 PolarHBondContact O-N 3.06Å; D42-R46 VanDerWaalsContact O-N 3.11Å; D42-R46 PolarHBondContact O-NE 3.41Å; A43-R46 PolarHBondContact O-N 3.46Å; R46-L49 PolarHBondContact O-N 2.92Å; R46-S50 PolarHBondContact O-N 3.36Å; R46-S50 VanDerWaalsContact O-N 3.1Å
47	M	88.3	Confident	88.2	Confident	96 Å²	96	72.5 Å²	72.5	47%	0.473	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-41.2	175.8	-172	177.3	-176.5	0	0	112.1	Q24 A43 A44 V45 L49 S50 L51	Q24-M47 HydrophobicContact CG-CG 4.43Å; A43-M47 PolarHBondContact O-N 2.87Å; A44-M47 PolarHBondContact O-N 3.14Å; V45-M47 VanDerWaalsContact C-N 3.32Å; V45-M47 PolarHBondContact O-N 2.93Å; M47-L49 VanDerWaalsContact C-N 3.34Å; M47-L49 PolarHBondContact O-N 3.14Å; M47-S50 PolarHBondContact O-N 3.36Å; M47-L51 HydrophobicContact CG-CD1 4.31Å; M47-L51 WeakPolarHBondContact O-CG 3.43Å; M47-L51 PolarHBondContact O-N 3.09Å
48	L	92.3	Very high	87.5	Confident	24 Å²	24	72.7 Å²	72.7	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-60.2	-42.2	175.9	-179.1	59.7	0	0	0	112.3	V21 Q24 V28 A44 V45 L51 K52	V21-L48 HydrophobicContact CG1-CD1 4.1Å; V21-L48 WeakPolarHBondContact O-CD1 3.21Å; Q24-L48 HydrophobicContact CB-CD1 4.15Å; Q24-L48 HydrophobicContact CG-CB 3.91Å; Q24-L48 HydrophobicContact CG-CD1 4.21Å; V28-L48 HydrophobicContact CG2-CB 4.47Å; V28-L48 HydrophobicContact CG2-CD2 4.14Å; A44-L48 PolarHBondContact O-N 3.23Å; V45-L48 WeakPolarHBondContact O-CB 3.34Å; V45-L48 PolarHBondContact O-N 2.86Å; L48-L51 PolarHBondContact O-N 3.34Å; L48-K52 WeakPolarHBondContact O-CG 3.5Å; L48-K52 PolarHBondContact O-N 2.87Å
49	L	90.8	Very high	87.2	Confident	110 Å²	110	66.2 Å²	66.2	58%	0.576	35%	0.351	S	S	*	.	H	α-helix	trans	-65.2	-41.2	177.2	-70.9	174.7	0	0	0	111.9	V45 R46 M47 K52 L53	V45-L49 HydrophobicContact CG1-CD1 4.24Å; V45-L49 HydrophobicContact CG1-CG 4.49Å; V45-L49 WeakPolarHBondContact O-CG 3.45Å; V45-L49 PolarHBondContact O-N 3.38Å; R46-L49 PolarHBondContact O-N 2.92Å; M47-L49 VanDerWaalsContact C-N 3.34Å; M47-L49 PolarHBondContact O-N 3.14Å; L49-K52 PolarHBondContact O-N 2.83Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 PolarHBondContact O-N 2.97Å
50	S	88.1	Confident	86.8	Confident	58 Å²	58	64 Å²	64	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-42.7	175.5	-176.8	0	0	0	0	112.4	R46 M47 L53 S54	R46-S50 PolarHBondContact O-N 3.36Å; R46-S50 VanDerWaalsContact O-N 3.1Å; M47-S50 PolarHBondContact O-N 3.36Å; S50-L53 PolarHBondContact O-N 3.19Å; S50-S54 WeakPolarHBondContact O-CB 3.45Å; S50-S54 PolarHBondContact O-N 2.69Å; S50-S54 PolarHBondContact O-OG 3.45Å
51	L	90.4	Very high	86.7	Confident	8 Å²	8	64.9 Å²	64.9	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-41.4	176.9	-73	168.3	0	0	0	112.1	L9 K20 V21 Q24 M47 L48 S54 Y55	L9-L51 HydrophobicContact CD2-CD2 3.58Å; K20-L51 HydrophobicContact CB-CD1 4.46Å; K20-L51 HydrophobicContact CB-CD2 4.24Å; V21-L51 HydrophobicContact CG2-CB 3.7Å; Q24-L51 HydrophobicContact CB-CD1 3.81Å; Q24-L51 HydrophobicContact CG-CD1 4.03Å; M47-L51 HydrophobicContact CG-CD1 4.31Å; M47-L51 WeakPolarHBondContact O-CG 3.43Å; M47-L51 PolarHBondContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.34Å; L51-S54 PolarHBondContact O-N 2.62Å; L51-Y55 WeakPolarHBondContact O-CB 3.4Å; L51-Y55 PolarHBondContact O-N 2.9Å
52	K	89.7	Confident	86.6	Confident	82 Å²	82	68.8 Å²	68.8	36%	0.357	38%	0.378	S	S	.	.	H	α-helix	trans	-64.6	-38.5	175.4	-76.7	-174.1	175.3	-167	0	112.7	V21 L48 L49 Y55 K56	V21-K52 HydrophobicContact CG1-CD 4.46Å; V21-K52 HydrophobicContact CG1-CG 3.64Å; V21-K52 HydrophobicContact CG2-CG 4.42Å; L48-K52 WeakPolarHBondContact O-CG 3.5Å; L48-K52 PolarHBondContact O-N 2.87Å; L49-K52 PolarHBondContact O-N 2.83Å; K52-Y55 PolarHBondContact O-N 2.88Å; K52-K56 WeakPolarHBondContact O-CB 3.34Å; K52-K56 PolarHBondContact O-N 3.46Å
53	L	87.8	Confident	86.7	Confident	115 Å²	115	67.1 Å²	67.1	60%	0.602	37%	0.367	S	S	*	.	H	α-helix	trans	-65.9	-42.8	175.4	-174.5	68.3	0	0	0	111.2	L49 S50 K56 T57	L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 PolarHBondContact O-N 2.97Å; S50-L53 PolarHBondContact O-N 3.19Å; L53-K56 PolarHBondContact O-N 2.74Å; L53-T57 WeakPolarHBondContact O-CB 3.37Å; L53-T57 PolarHBondContact O-N 3.39Å; L53-T57 PolarHBondContact O-OG1 3.09Å
54	S	82.3	Confident	86.4	Confident	26 Å²	26	70.4 Å²	70.4	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-63.1	-44.6	175.9	-57.5	0	0	0	0	111.1	S50 L51 T57 T58	S50-S54 WeakPolarHBondContact O-CB 3.45Å; S50-S54 PolarHBondContact O-N 2.69Å; S50-S54 PolarHBondContact O-OG 3.45Å; L51-S54 PolarHBondContact O-N 2.62Å; S54-T57 PolarHBondContact O-N 2.98Å; S54-T58 WeakPolarHBondContact O-CB 3.3Å; S54-T58 PolarHBondContact O-N 2.84Å; S54-T58 PolarHBondContact O-OG1 2.79Å
55	Y	86.1	Confident	86	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.016	40%	0.401	C	S	.	.	H	α-helix	trans	-56.7	-51.5	173.5	-177.9	-93.6	0	0	0	111.7	L17 F18 L51 K52 T57 T58 T59 Q61 P69	L17-Y55 HydrophobicContact CB-CD2 3.89Å; F18-Y55 HydrophobicContact CB-CD2 4.46Å; F18-Y55 HydrophobicContact CB-CE2 3.84Å; F18-Y55 HydrophobicContact CD2-CE2 4.24Å; L51-Y55 WeakPolarHBondContact O-CB 3.4Å; L51-Y55 PolarHBondContact O-N 2.9Å; K52-Y55 PolarHBondContact O-N 2.88Å; Y55-T57 VanDerWaalsContact C-N 3.3Å; Y55-T57 PolarHBondContact O-N 2.95Å; Y55-T58 PolarHBondContact O-N 3.16Å; Y55-T58 VanDerWaalsContact O-N 3.17Å; Y55-T59 HydrophobicContact CD1-CG2 4.5Å; Y55-T59 HydrophobicContact CD2-CG2 4.03Å; Y55-T59 HydrophobicContact CE1-CG2 4.27Å; Y55-T59 HydrophobicContact CE2-CG2 3.77Å; Y55-T59 HydrophobicContact CG-CG2 4.39Å; Y55-T59 WeakPolarHBondContact O-CG2 3.5Å; Y55-T59 PolarHBondContact O-N 3.02Å; Y55-T59 PolarHBondContact O-OG1 2.62Å; Y55-Q61 WeakPolarHBondContact CD1-O 3.35Å; Y55-P69 HydrophobicContact CE2-CG 3.99Å; Y55-P69 WeakPolarHBondContact OH-CD 3.46Å
56	K	86.3	Confident	85.3	Confident	88 Å²	88	74.8 Å²	74.8	38%	0.383	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-38.9	178.3	-173.8	179.8	-167.7	147.7	0	112.9	K52 L53 G60 Q61 D62	K52-K56 WeakPolarHBondContact O-CB 3.34Å; K52-K56 PolarHBondContact O-N 3.46Å; L53-K56 PolarHBondContact O-N 2.74Å; K56-G60 WeakPolarHBondContact O-CA 3.4Å; K56-G60 PolarHBondContact O-N 3.23Å; K56-Q61 WeakPolarHBondContact CA-O 3.28Å; K56-D62 VanDerWaalsContact CD-OD1 3.28Å; K56-D62 WeakPolarHBondContact CD-OD1 3.2Å; K56-D62 WeakPolarHBondContact CE-OD1 3.3Å; K56-D62 IonicContact NZ-OD1 3.17Å; K56-D62 PolarHBondContact NZ-OD1 3.04Å; K56-D62 IonicContact NZ-OD2 2.76Å; K56-D62 PolarHBondContact NZ-OD2 2.8Å
57	T	81.6	Confident	84.6	Confident	111 Å²	111	71.5 Å²	71.5	68%	0.681	42%	0.416	S	S	*	.	H	α-helix	trans	-67	-39	178.5	-54.7	0	0	0	0	111.2	L53 S54 Y55	L53-T57 WeakPolarHBondContact O-CB 3.37Å; L53-T57 PolarHBondContact O-N 3.39Å; L53-T57 PolarHBondContact O-OG1 3.09Å; S54-T57 PolarHBondContact O-N 2.98Å; Y55-T57 VanDerWaalsContact C-N 3.3Å; Y55-T57 PolarHBondContact O-N 2.95Å
58	T	80.4	Confident	84.2	Confident	71 Å²	71	70.3 Å²	70.3	44%	0.436	42%	0.415	S	S	.	.	H	α-helix	trans	-80	-37.1	-178.3	-57.2	0	0	0	0	113.1	P14 L17 S54 Y55	P14-T58 HydrophobicContact CG-CG2 4.39Å; L17-T58 HydrophobicContact CD1-CG2 3.98Å; S54-T58 WeakPolarHBondContact O-CB 3.3Å; S54-T58 PolarHBondContact O-N 2.84Å; S54-T58 PolarHBondContact O-OG1 2.79Å; Y55-T58 PolarHBondContact O-N 3.16Å; Y55-T58 VanDerWaalsContact O-N 3.17Å
59	T	82.2	Confident	83.2	Confident	24 Å²	24	70.3 Å²	70.3	15%	0.147	42%	0.417	C	S	.	.	H	α-helix	trans	-101.9	-15.1	-174	67.7	0	0	0	0	114	P14 Y55 Q61 P69	P14-T59 HydrophobicContact CB-CG2 3.84Å; P14-T59 HydrophobicContact CG-CG2 4.34Å; Y55-T59 HydrophobicContact CD1-CG2 4.5Å; Y55-T59 HydrophobicContact CD2-CG2 4.03Å; Y55-T59 HydrophobicContact CE1-CG2 4.27Å; Y55-T59 HydrophobicContact CE2-CG2 3.77Å; Y55-T59 HydrophobicContact CG-CG2 4.39Å; Y55-T59 WeakPolarHBondContact O-CG2 3.5Å; Y55-T59 PolarHBondContact O-N 3.02Å; Y55-T59 PolarHBondContact O-OG1 2.62Å; T59-Q61 PolarHBondContact O-N 3.2Å; T59-Q61 PolarHBondContact OG1-N 3.33Å; T59-Q61 PolarHBondContact OG1-O 2.79Å; T59-P69 HydrophobicContact CG2-CB 4.47Å
60	G	81.1	Confident	81.9	Confident	65 Å²	65	76.1 Å²	76.1	67%	0.67	43%	0.431	S	S	*	.	S	Bend	trans	71.7	2.4	-170.5	0	0	0	0	0	114.2	K56	K56-G60 WeakPolarHBondContact O-CA 3.4Å; K56-G60 PolarHBondContact O-N 3.23Å
61	Q	82.4	Confident	79.8	Confident	118 Å²	118	80.9 Å²	80.9	55%	0.551	45%	0.452	S	S	*	.	S	Bend	trans	-121.8	143.6	-175	-62.4	-176.9	3.5	0	0	111.7	Y55 K56 T59	Y55-Q61 WeakPolarHBondContact CD1-O 3.35Å; K56-Q61 WeakPolarHBondContact CA-O 3.28Å; T59-Q61 PolarHBondContact O-N 3.2Å; T59-Q61 PolarHBondContact OG1-N 3.33Å; T59-Q61 PolarHBondContact OG1-O 2.79Å
62	D	86	Confident	77.3	Confident	101 Å²	101	88.2 Å²	88.2	54%	0.54	49%	0.49	S	S	.	.			trans	-67.5	139.5	169.8	-74.2	-62.1	0	0	0	110.4	K56 Q64	K56-D62 VanDerWaalsContact CD-OD1 3.28Å; K56-D62 WeakPolarHBondContact CD-OD1 3.2Å; K56-D62 WeakPolarHBondContact CE-OD1 3.3Å; K56-D62 IonicContact NZ-OD1 3.17Å; K56-D62 PolarHBondContact NZ-OD1 3.04Å; K56-D62 IonicContact NZ-OD2 2.76Å; K56-D62 PolarHBondContact NZ-OD2 2.8Å; D62-Q64 PolarHBondContact O-N 3.05Å
63	Y	88.3	Confident	74.5	Confident	38 Å²	38	90.7 Å²	90.7	15%	0.149	51%	0.512	C	S	.	.			trans	-59.8	127.5	177	168.9	-90.7	0	0	0	111.3	F18 V21 T22 A65	F18-Y63 AromaticContact CD2-CD2 3.86Å; F18-Y63 HydrophobicContact CD2-CD2 3.86Å; F18-Y63 AromaticContact CD2-CE2 3.66Å; F18-Y63 HydrophobicContact CD2-CE2 3.66Å; F18-Y63 HydrophobicContact CE2-CD2 4.05Å; F18-Y63 AromaticContact CE2-CE2 3.58Å; F18-Y63 HydrophobicContact CE2-CE2 3.58Å; F18-Y63 HydrophobicContact CG-CE2 4.46Å; F18-Y63 HydrophobicContact CZ-CE2 4.35Å; V21-Y63 HydrophobicContact CB-CD2 3.81Å; V21-Y63 HydrophobicContact CB-CE2 3.81Å; V21-Y63 HydrophobicContact CB-CG 4.39Å; V21-Y63 HydrophobicContact CG1-CD1 3.75Å; V21-Y63 HydrophobicContact CG1-CD2 3.39Å; V21-Y63 HydrophobicContact CG1-CE1 3.86Å; V21-Y63 HydrophobicContact CG1-CE2 3.5Å; V21-Y63 HydrophobicContact CG1-CG 3.51Å; V21-Y63 HydrophobicContact CG2-CD2 4.47Å; T22-Y63 PolarHBondContact OG1-OH 2.89Å; T22-Y63 VanDerWaalsContact OG1-OH 3.07Å; Y63-A65 HydrophobicContact CE1-CB 4.01Å
64	Q	83.4	Confident	71.8	Confident	118 Å²	118	90.7 Å²	90.7	55%	0.551	52%	0.522	S	S	*	.			trans	-116.5	124.3	171.1	-64.8	-172.3	-2.7	0	0	109.8	F18 D62 G66 L67	F18-Q64 WeakPolarHBondContact CE2-O 3.14Å; D62-Q64 PolarHBondContact O-N 3.05Å; Q64-G66 PolarHBondContact O-N 3.09Å; Q64-L67 HydrophobicContact CB-CB 4.24Å; Q64-L67 HydrophobicContact CB-CD1 4.15Å; Q64-L67 PolarHBondContact O-N 3.3Å
65	A	77.9	Confident	69.3	Low	78 Å²	78	96.8 Å²	96.8	65%	0.645	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	129.4	-178.2	0	0	0	0	0	111	Y63	Y63-A65 HydrophobicContact CE1-CB 4.01Å
66	G	74.8	Confident	66.5	Low	65 Å²	65	103.6 Å²	103.6	67%	0.67	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.6	4.4	179.1	0	0	0	0	0	115.6	Q64	Q64-G66 PolarHBondContact O-N 3.09Å
67	L	77.6	Confident	63.8	Low	102 Å²	102	106.5 Å²	106.5	53%	0.534	61%	0.607	S	S	.	*			trans	-123.2	91.6	178.3	-71.4	168.7	0	0	0	110.6	F18 Q64	F18-L67 VanDerWaalsContact CE2-C 3.42Å; F18-L67 WeakPolarHBondContact CE2-O 3.26Å; Q64-L67 HydrophobicContact CB-CB 4.24Å; Q64-L67 HydrophobicContact CB-CD1 4.15Å; Q64-L67 PolarHBondContact O-N 3.3Å
68	P	78.6	Confident	61.6	Low	70 Å²	70	104.8 Å²	104.8	46%	0.455	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-65.7	149.8	178.2	26.9	-32.8	0	0	0	111.2	L15 F18 R70	L15-P68 HydrophobicContact CD1-CB 4Å; F18-P68 HydrophobicContact CD1-CB 3.95Å; F18-P68 HydrophobicContact CE1-CB 3.88Å; F18-P68 HydrophobicContact CG-CB 4.36Å; F18-P68 HydrophobicContact CZ-CB 4.22Å; P68-R70 PolarHBondContact O-N 3.34Å
69	P	72	Confident	59.1	Low	24 Å²	24	108.1 Å²	108.1	16%	0.156	63%	0.632	C	S	.	*	P	Polyproline II helix	trans	-64.2	125.1	178.9	24.1	-28.9	0	0	0	110.2	P14 F18 Y55 T59	P14-P69 HydrophobicContact CB-CB 4.1Å; P14-P69 HydrophobicContact CB-CG 3.64Å; F18-P69 HydrophobicContact CB-CG 4.39Å; Y55-P69 HydrophobicContact CE2-CG 3.99Å; Y55-P69 WeakPolarHBondContact OH-CD 3.46Å; T59-P69 HydrophobicContact CG2-CB 4.47Å
70	R	63.3	Low	56.7	Low	233 Å²	233	111.5 Å²	111.5	88%	0.879	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-71.3	134.6	174.6	-65.7	-178.9	178.7	179.5	-2.7	109.5	P68 L72	P68-R70 PolarHBondContact O-N 3.34Å; R70-L72 PolarHBondContact O-N 2.81Å; R70-L72 VanDerWaalsContact O-N 3.1Å
71	D	44.8	Very low	54.3	Low	158 Å²	158	118.2 Å²	118.2	85%	0.845	67%	0.673	S	S	*	*			trans	-54.4	114.9	179.7	-72.7	-42.2	0	0	0	111.4	V73	D71-V73 PolarHBondContact O-N 3.46Å; D71-V73 VanDerWaalsContact O-N 3.15Å
72	L	36	Very low	52	Low	162 Å²	162	121.6 Å²	121.6	85%	0.848	69%	0.689	S	S	*	*			trans	-80.3	85.8	168.9	-76.4	162.6	0	0	0	108.1	R70	R70-L72 PolarHBondContact O-N 2.81Å; R70-L72 VanDerWaalsContact O-N 3.1Å
73	V	32.3	Very low	50.1	Low	133 Å²	133	123.2 Å²	123.2	81%	0.806	69%	0.693	S	S	*	*			trans	-106.2	126.7	161.5	-175.9	0	0	0	0	108.8	D71	D71-V73 PolarHBondContact O-N 3.46Å; D71-V73 VanDerWaalsContact O-N 3.15Å
74	S	30.2	Very low	48.5	Very low	116 Å²	116	127.9 Å²	127.9	81%	0.811	72%	0.72	S	S	*	*			trans	-53.5	141.6	-170.9	-60.4	0	0	0	0	115.5
75	I	30.3	Very low	48	Very low	154 Å²	154	129.8 Å²	129.8	79%	0.79	73%	0.729	S	S	*	*			trans	-49.1	127.8	170.3	-62.7	158.2	0	0	0	111.8
76	N	27.2	Very low	48.4	Very low	147 Å²	147	127.2 Å²	127.2	79%	0.786	71%	0.705	S	S	*	*			trans	-160.9	114.8	134.9	-95.4	-23.8	0	0	0	112.3
77	N	29.7	Very low	48.9	Very low	149 Å²	149	129.1 Å²	129.1	80%	0.797	70%	0.695	S	S	*	*			trans	57.8	84	153.6	-63.8	-11.3	0	0	0	120.1
78	G	36	Very low	49.3	Very low	75 Å²	75	124.8 Å²	124.8	77%	0.773	67%	0.673	S	S	*	*				64.2	88.3	117.3	0	0	0	0	0	119
79	T	27.9	Very low	49.7	Very low	140 Å²	140	122.8 Å²	122.8	86%	0.859	66%	0.658	S	S	*	*			trans	-165.3	132.9	136.9	34.8	0	0	0	0	109
80	A	31.3	Very low	50.3	Low	95 Å²	95	122.2 Å²	122.2	79%	0.785	65%	0.654	S	S	*	*			trans	40.1	125.7	164.9	0	0	0	0	0	119.6	E82	A80-E82 PolarHBondContact O-N 3.15Å; A80-E82 VanDerWaalsContact O-N 3.14Å
81	K	31.2	Very low	51.2	Low	206 Å²	206	114.7 Å²	114.7	90%	0.896	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-54.1	118.1	165.3	-74.7	177.2	174.1	178.5	0	109.2	E83	K81-E83 PolarHBondContact O-N 3.39Å
82	E	34.4	Very low	52.9	Low	190 Å²	190	109.4 Å²	109.4	89%	0.888	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.8	118.2	163.8	-78.3	176.4	164.2	0	0	107.8	A80	A80-E82 PolarHBondContact O-N 3.15Å; A80-E82 VanDerWaalsContact O-N 3.14Å
83	E	44.9	Very low	55.2	Low	135 Å²	135	102.1 Å²	102.1	63%	0.631	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-64.5	145.1	171	-66.7	178.9	157.4	0	0	109	K81 E85 K105	K81-E83 PolarHBondContact O-N 3.39Å; E83-E85 PolarHBondContact O-N 2.88Å; E83-K105 IonicContact OE2-NZ 3.94Å; E83-K105 PolarHBondContact OE2-NZ 3.38Å
84	D	54.9	Low	57.6	Low	135 Å²	135	101.4 Å²	101.4	72%	0.722	55%	0.549	S	S	*	.			trans	-51.8	102.4	171.4	-70.7	-43.1	0	0	0	109.9	S96	D84-S96 WeakPolarHBondContact CB-OG 3.02Å
85	E	72.9	Confident	60.4	Low	158 Å²	158	96.5 Å²	96.5	74%	0.738	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-78.1	141	-177.5	-71.3	-164.6	164.2	0	0	112.3	E83 F87	E83-E85 PolarHBondContact O-N 2.88Å; E85-F87 PolarHBondContact O-N 3.49Å
86	D	85.3	Confident	62.9	Low	24 Å²	24	93.1 Å²	93.1	13%	0.128	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-64	124.9	176.5	-65.4	-27.1	0	0	0	111.7	T95 V101 D102 R109	D86-T95 WeakPolarHBondContact OD1-CB 3.46Å; D86-T95 PolarHBondContact OD1-OG1 2.88Å; D86-V101 HydrophobicContact CB-CG1 4.32Å; D86-V101 WeakPolarHBondContact OD2-CA 3.39Å; D86-D102 PolarHBondContact OD2-N 2.96Å; D86-R109 VanDerWaalsContact O-CZ 3.26Å; D86-R109 PolarHBondContact O-NH1 3.22Å; D86-R109 PolarHBondContact O-NH2 2.85Å
87	F	86.3	Confident	65.6	Low	106 Å²	106	89.5 Å²	89.5	47%	0.465	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.1	174.4	-171	-95.4	0	0	0	110.6	E85 D89 T92 V93 Q94	E85-F87 PolarHBondContact O-N 3.49Å; F87-D89 HydrophobicContact CE1-CB 4.18Å; F87-D89 VanDerWaalsContact CE1-OD2 3.25Å; F87-D89 WeakPolarHBondContact CE1-OD2 3.47Å; F87-D89 HydrophobicContact CZ-CB 4.34Å; F87-D89 WeakPolarHBondContact CZ-OD2 3.4Å; F87-T92 HydrophobicContact CD1-CG2 3.97Å; F87-T92 HydrophobicContact CE1-CG2 4.23Å; F87-V93 CarbonylContact O-C 3.5Å; F87-V93 WeakPolarHBondContact O-CA 3.47Å; F87-Q94 HydrophobicContact CB-CB 4.41Å; F87-Q94 PolarHBondContact N-O 3.31Å; F87-Q94 PolarHBondContact O-N 2.72Å
88	V	85.3	Confident	68.1	Low	11 Å²	11	84.3 Å²	84.3	7%	0.067	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	113.3	179.7	-179.9	0	0	0	0	109.7	V93 V101 L106 F110 D315 F342	V88-V93 HydrophobicContact CG1-CG2 4.33Å; V88-V93 HydrophobicContact CG2-CG1 4.43Å; V88-V101 HydrophobicContact CG2-CG1 4.26Å; V88-V101 HydrophobicContact CG2-CG2 4.39Å; V88-L106 HydrophobicContact CB-CD1 4.21Å; V88-L106 HydrophobicContact CG1-CD2 4.31Å; V88-L106 HydrophobicContact CG2-CD1 4.24Å; V88-L106 HydrophobicContact CG2-CD2 4.18Å; V88-F110 HydrophobicContact CB-CZ 4.28Å; V88-F110 HydrophobicContact CG1-CE2 4.38Å; V88-F110 HydrophobicContact CG1-CZ 4.13Å; V88-D315 HydrophobicContact CG1-CB 4.39Å; V88-F342 HydrophobicContact CG1-CE2 3.89Å; V88-F342 HydrophobicContact CG1-CZ 3.61Å; V88-F342 HydrophobicContact CG2-CE2 4.19Å
89	D	87.3	Confident	70.4	Confident	28 Å²	28	86.2 Å²	86.2	15%	0.15	45%	0.45	C	S	.	.			trans	-138.5	175.9	169.9	80.4	15.3	0	0	0	110	F87 W91 T92 D315	F87-D89 HydrophobicContact CE1-CB 4.18Å; F87-D89 VanDerWaalsContact CE1-OD2 3.25Å; F87-D89 WeakPolarHBondContact CE1-OD2 3.47Å; F87-D89 HydrophobicContact CZ-CB 4.34Å; F87-D89 WeakPolarHBondContact CZ-OD2 3.4Å; D89-W91 PolarHBondContact O-N 3.04Å; D89-W91 VanDerWaalsContact O-N 3.1Å; D89-W91 WeakPolarHBondContact OD1-CA 3.27Å; D89-W91 PolarHBondContact OD1-N 2.92Å; D89-T92 PolarHBondContact N-O 3.38Å; D89-T92 PolarHBondContact O-N 3.13Å; D89-T92 PolarHBondContact OD1-N 3.22Å; D89-D315 WeakPolarHBondContact O-CB 3.43Å
90	P	84.3	Confident	73.3	Confident	12 Å²	12	79.8 Å²	79.8	8%	0.078	41%	0.412	C	S	.	.	S	Bend	trans	-56.8	-25.8	-179.1	-27	35.4	0	0	0	115.2	F270 D315 P318 Y319 K352	P90-F270 HydrophobicContact CG-CD1 4.28Å; P90-F270 HydrophobicContact CG-CE1 4.34Å; P90-D315 WeakPolarHBondContact CA-O 3.48Å; P90-D315 WeakPolarHBondContact CG-O 3.3Å; P90-P318 HydrophobicContact CG-CG 4.49Å; P90-Y319 HydrophobicContact CB-CE2 3.73Å; P90-Y319 HydrophobicContact CG-CD2 4.07Å; P90-Y319 HydrophobicContact CG-CE2 3.55Å; P90-K352 PolarHBondContact O-NZ 2.85Å
91	W	82.9	Confident	76	Confident	75 Å²	75	75.8 Å²	75.8	28%	0.284	38%	0.377	S	S	.	.	S	Bend	trans	-99.2	-34.2	-175.2	-58.7	-72.5	0	0	0	112.9	D89 W206 F270 F272	D89-W91 PolarHBondContact O-N 3.04Å; D89-W91 VanDerWaalsContact O-N 3.1Å; D89-W91 WeakPolarHBondContact OD1-CA 3.27Å; D89-W91 PolarHBondContact OD1-N 2.92Å; W91-W206 AromaticContact CE2-NE1 3.58Å; W91-W206 HydrophobicContact CH2-CZ2 4.35Å; W91-W206 AromaticContact CZ2-CE2 3.82Å; W91-W206 HydrophobicContact CZ2-CH2 4.48Å; W91-W206 AromaticContact CZ2-CZ2 3.48Å; W91-W206 HydrophobicContact CZ2-CZ2 3.48Å; W91-W206 VanDerWaalsContact CZ2-CZ2 3.48Å; W91-W206 AromaticContact CZ2-NE1 3.77Å; W91-W206 AromaticContact NE1-CD1 3.79Å; W91-W206 AromaticContact NE1-CE2 3.83Å; W91-W206 AromaticContact NE1-NE1 3.31Å; W91-F270 HydrophobicContact CH2-CB 3.8Å; W91-F270 AromaticContact CH2-CD1 3.87Å; W91-F270 HydrophobicContact CH2-CD1 3.87Å; W91-F270 HydrophobicContact CH2-CG 4.19Å; W91-F270 HydrophobicContact CZ3-CB 3.95Å; W91-F270 HydrophobicContact CZ3-CD1 4.2Å; W91-F270 WeakPolarHBondContact CZ3-O 3.47Å; W91-F272 AromaticContact CH2-CE1 3.65Å; W91-F272 HydrophobicContact CH2-CE1 3.65Å; W91-F272 AromaticContact CH2-CZ 3.78Å; W91-F272 HydrophobicContact CH2-CZ 3.78Å; W91-F272 HydrophobicContact CZ2-CE1 4.09Å; W91-F272 HydrophobicContact CZ2-CZ 4.21Å; W91-F272 HydrophobicContact CZ3-CE1 4.48Å
92	T	80.6	Confident	78.9	Confident	47 Å²	47	68.7 Å²	68.7	29%	0.288	35%	0.349	S	S	.	.			trans	-135.9	133.7	-165.9	-53.1	0	0	0	0	111.4	F87 D89 Q94	F87-T92 HydrophobicContact CD1-CG2 3.97Å; F87-T92 HydrophobicContact CE1-CG2 4.23Å; D89-T92 PolarHBondContact N-O 3.38Å; D89-T92 PolarHBondContact O-N 3.13Å; D89-T92 PolarHBondContact OD1-N 3.22Å; T92-Q94 HydrophobicContact CG2-CG 3.76Å
93	V	83.6	Confident	81.6	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.1	168.4	175.9	0	0	0	0	107.3	F87 V88 V101 F342 K352	F87-V93 CarbonylContact O-C 3.5Å; F87-V93 WeakPolarHBondContact O-CA 3.47Å; V88-V93 HydrophobicContact CG1-CG2 4.33Å; V88-V93 HydrophobicContact CG2-CG1 4.43Å; V93-V101 HydrophobicContact CG1-CG2 3.81Å; V93-F342 HydrophobicContact CB-CD2 4.43Å; V93-F342 HydrophobicContact CB-CE2 4.34Å; V93-F342 HydrophobicContact CG1-CD2 3.67Å; V93-F342 HydrophobicContact CG1-CE2 3.76Å; V93-F342 HydrophobicContact CG1-CG 4.35Å; V93-F342 HydrophobicContact CG2-CD1 4.15Å; V93-F342 HydrophobicContact CG2-CD2 3.98Å; V93-F342 HydrophobicContact CG2-CE1 3.79Å; V93-F342 HydrophobicContact CG2-CE2 3.58Å; V93-F342 HydrophobicContact CG2-CG 4.25Å; V93-F342 HydrophobicContact CG2-CZ 3.48Å; V93-F342 VanDerWaalsContact CG2-CZ 3.48Å; V93-K352 HydrophobicContact CB-CB 4.39Å; V93-K352 HydrophobicContact CB-CD 4.26Å; V93-K352 HydrophobicContact CB-CG 4.24Å; V93-K352 HydrophobicContact CG2-CD 3.76Å; V93-K352 HydrophobicContact CG2-CG 4.3Å
94	Q	84.2	Confident	83.8	Confident	117 Å²	117	60.1 Å²	60.1	55%	0.547	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.7	178.7	-71.6	178.7	3.1	0	0	110.1	F87 T92	F87-Q94 HydrophobicContact CB-CB 4.41Å; F87-Q94 PolarHBondContact N-O 3.31Å; F87-Q94 PolarHBondContact O-N 2.72Å; T92-Q94 HydrophobicContact CG2-CG 3.76Å
95	T	87.2	Confident	85.6	Confident	13 Å²	13	59.2 Å²	59.2	8%	0.08	30%	0.3	C	S	.	.			trans	-142.8	145.2	171.7	176.1	0	0	0	0	109.5	D86 N97 V101 Q350	D86-T95 WeakPolarHBondContact OD1-CB 3.46Å; D86-T95 PolarHBondContact OD1-OG1 2.88Å; T95-N97 WeakPolarHBondContact OG1-CB 3.39Å; T95-N97 PolarHBondContact OG1-N 3.29Å; T95-V101 HydrophobicContact CG2-CG2 4.23Å; T95-Q350 HydrophobicContact CG2-CB 4.42Å; T95-Q350 PolarHBondContact N-O 2.69Å; T95-Q350 WeakPolarHBondContact O-CB 3.39Å
96	S	82.8	Confident	86.4	Confident	83 Å²	83	51.9 Å²	51.9	58%	0.58	27%	0.266	S	S	*	.	S	Bend	trans	-78.3	-12.1	171.2	58.7	0	0	0	0	112.2	D84	D84-S96 WeakPolarHBondContact CB-OG 3.02Å
97	N	85.3	Confident	86.7	Confident	71 Å²	71	51.5 Å²	51.5	38%	0.38	26%	0.264	S	S	.	.			trans	-84	122.4	-176.5	-170.4	-8.6	0	0	0	111.7	T95 K99 G100	T95-N97 WeakPolarHBondContact OG1-CB 3.39Å; T95-N97 PolarHBondContact OG1-N 3.29Å; N97-K99 PolarHBondContact O-N 3Å; N97-K99 WeakPolarHBondContact OD1-CB 3.45Å; N97-K99 PolarHBondContact OD1-N 3.29Å; N97-G100 PolarHBondContact O-N 2.85Å
98	A	82.4	Confident	86.9	Confident	40 Å²	40	52.1 Å²	52.1	33%	0.331	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.6	176.2	0	0	0	0	0	114.2	G100 V399	A98-G100 PolarHBondContact O-N 3.43Å; A98-V399 HydrophobicContact CB-CG1 4.15Å
99	K	83.1	Confident	87	Confident	116 Å²	116	56 Å²	56	50%	0.504	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.8	172.3	-60.1	-169	177.6	-153.8	0	113.1	N97 D398 V399	N97-K99 PolarHBondContact O-N 3Å; N97-K99 WeakPolarHBondContact OD1-CB 3.45Å; N97-K99 PolarHBondContact OD1-N 3.29Å; K99-D398 HydrophobicContact CD-CB 4.11Å; K99-D398 HydrophobicContact CG-CB 4.19Å; K99-D398 IonicContact NZ-OD2 3.36Å; K99-D398 PolarHBondContact NZ-OD2 2.93Å; K99-V399 HydrophobicContact CG-CG1 4.02Å
100	G	88.4	Confident	87.2	Confident	5 Å²	5	55.6 Å²	55.6	5%	0.052	29%	0.286	C	S	.	.			trans	86.8	-167.8	-173	0	0	0	0	0	112.8	N97 A98 A349	N97-G100 PolarHBondContact O-N 2.85Å; A98-G100 PolarHBondContact O-N 3.43Å; G100-A349 WeakPolarHBondContact CA-O 3.32Å
101	V	88.6	Confident	87.5	Confident	10 Å²	10	57.2 Å²	57.2	6%	0.061	31%	0.305	C	S	.	.			trans	-63.8	138	-174.4	176.1	0	0	0	0	111.4	D86 V88 V93 T95 Y103 L106 F342	D86-V101 HydrophobicContact CB-CG1 4.32Å; D86-V101 WeakPolarHBondContact OD2-CA 3.39Å; V88-V101 HydrophobicContact CG2-CG1 4.26Å; V88-V101 HydrophobicContact CG2-CG2 4.39Å; V93-V101 HydrophobicContact CG1-CG2 3.81Å; T95-V101 HydrophobicContact CG2-CG2 4.23Å; V101-Y103 HydrophobicContact CB-CE1 4.13Å; V101-Y103 HydrophobicContact CB-CE2 4.35Å; V101-Y103 HydrophobicContact CG1-CD1 4.2Å; V101-Y103 HydrophobicContact CG1-CE1 4.14Å; V101-Y103 VanDerWaalsContact O-CD2 3.26Å; V101-Y103 WeakPolarHBondContact O-CD2 3.34Å; V101-Y103 WeakPolarHBondContact O-CE2 3.35Å; V101-Y103 PolarHBondContact O-N 2.99Å; V101-Y103 VanDerWaalsContact O-N 3.09Å; V101-L106 HydrophobicContact CG1-CD2 4.01Å; V101-F342 HydrophobicContact CG2-CD2 4.25Å; V101-F342 HydrophobicContact CG2-CE2 4.45Å
102	D	91.4	Very high	88.2	Confident	58 Å²	58	54.3 Å²	54.3	31%	0.31	30%	0.297	S	S	.	.			trans	-76.5	93	168.5	-172.2	-28.1	0	0	0	109.7	D86 D104 K105 L106	D86-D102 PolarHBondContact OD2-N 2.96Å; D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 3.2Å; D102-D104 PolarHBondContact OD1-N 3.3Å; D102-D104 VanDerWaalsContact OD1-N 3.14Å; D102-K105 HydrophobicContact CB-CB 4.1Å; D102-K105 HydrophobicContact CB-CD 4.17Å; D102-K105 HydrophobicContact CB-CG 4.28Å; D102-K105 PolarHBondContact O-N 3.2Å; D102-K105 PolarHBondContact OD1-N 3.15Å; D102-K105 VanDerWaalsContact OD2-CD 3.32Å; D102-K105 WeakPolarHBondContact OD2-CD 3.41Å; D102-K105 WeakPolarHBondContact OD2-CG 3.35Å; D102-L106 WeakPolarHBondContact O-CB 3.36Å; D102-L106 PolarHBondContact O-N 3.12Å
103	Y	92.6	Very high	89	Confident	52 Å²	52	55 Å²	55	20%	0.204	30%	0.303	C	S	.	.	H	α-helix	trans	-66.6	-25.9	-176.9	-69.8	-67.3	0	0	0	113.8	V101 L106 I107 F141 V341 F342	V101-Y103 HydrophobicContact CB-CE1 4.13Å; V101-Y103 HydrophobicContact CB-CE2 4.35Å; V101-Y103 HydrophobicContact CG1-CD1 4.2Å; V101-Y103 HydrophobicContact CG1-CE1 4.14Å; V101-Y103 VanDerWaalsContact O-CD2 3.26Å; V101-Y103 WeakPolarHBondContact O-CD2 3.34Å; V101-Y103 WeakPolarHBondContact O-CE2 3.35Å; V101-Y103 PolarHBondContact O-N 2.99Å; V101-Y103 VanDerWaalsContact O-N 3.09Å; Y103-L106 HydrophobicContact CD1-CD2 4.29Å; Y103-L106 PolarHBondContact O-N 2.65Å; Y103-I107 WeakPolarHBondContact O-CG1 3.23Å; Y103-I107 PolarHBondContact O-N 3.02Å; Y103-F141 AromaticContact CD1-CE1 3.71Å; Y103-F141 HydrophobicContact CD1-CE1 3.71Å; Y103-F141 HydrophobicContact CD1-CE2 4.05Å; Y103-F141 AromaticContact CD1-CZ 3.42Å; Y103-F141 HydrophobicContact CD1-CZ 3.42Å; Y103-F141 VanDerWaalsContact CD1-CZ 3.42Å; Y103-F141 HydrophobicContact CE1-CE1 4.27Å; Y103-F141 HydrophobicContact CE1-CZ 4.33Å; Y103-F141 HydrophobicContact CG-CE1 4.31Å; Y103-F141 HydrophobicContact CG-CE2 4.16Å; Y103-F141 AromaticContact CG-CZ 3.97Å; Y103-F141 HydrophobicContact CG-CZ 3.97Å; Y103-F141 WeakPolarHBondContact O-CE2 3.28Å; Y103-V341 HydrophobicContact CD1-CB 4.48Å; Y103-V341 HydrophobicContact CD1-CG1 4.02Å; Y103-V341 HydrophobicContact CD2-CB 4.42Å; Y103-V341 HydrophobicContact CD2-CG1 3.75Å; Y103-V341 HydrophobicContact CE1-CB 3.85Å; Y103-V341 HydrophobicContact CE1-CG1 3.89Å; Y103-V341 HydrophobicContact CE2-CB 3.78Å; Y103-V341 HydrophobicContact CE2-CG1 3.61Å; Y103-V341 HydrophobicContact CG-CG1 3.96Å; Y103-V341 VanDerWaalsContact CZ-CB 3.46Å; Y103-F342 HydrophobicContact CE1-CD2 4.07Å; Y103-F342 HydrophobicContact CE1-CE2 4.34Å; Y103-F342 WeakPolarHBondContact OH-CD2 3.3Å; Y103-F342 PolarHBondContact OH-N 3.2Å
104	D	91.3	Very high	89.7	Confident	92 Å²	92	59.1 Å²	59.1	49%	0.492	32%	0.32	S	S	.	.	H	α-helix	trans	-76.2	-40.8	177.4	-70.8	-31.7	0	0	0	110.8	D102 L106 I107 V108 K114	D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 3.2Å; D102-D104 PolarHBondContact OD1-N 3.3Å; D102-D104 VanDerWaalsContact OD1-N 3.14Å; D104-L106 VanDerWaalsContact C-N 3.28Å; D104-L106 PolarHBondContact O-N 2.64Å; D104-I107 WeakPolarHBondContact O-CB 3.33Å; D104-I107 PolarHBondContact O-N 2.98Å; D104-V108 PolarHBondContact O-N 2.88Å; D104-K114 IonicContact OD1-NZ 2.73Å; D104-K114 PolarHBondContact OD1-NZ 3.08Å
105	K	91.1	Very high	90.4	Very high	116 Å²	116	54.1 Å²	54.1	50%	0.504	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-39.2	168.1	-74.8	-176.4	-178.2	-174.6	0	111.3	E83 D102 I107 V108 R109	E83-K105 IonicContact OE2-NZ 3.94Å; E83-K105 PolarHBondContact OE2-NZ 3.38Å; D102-K105 HydrophobicContact CB-CB 4.1Å; D102-K105 HydrophobicContact CB-CD 4.17Å; D102-K105 HydrophobicContact CB-CG 4.28Å; D102-K105 PolarHBondContact O-N 3.2Å; D102-K105 PolarHBondContact OD1-N 3.15Å; D102-K105 VanDerWaalsContact OD2-CD 3.32Å; D102-K105 WeakPolarHBondContact OD2-CD 3.41Å; D102-K105 WeakPolarHBondContact OD2-CG 3.35Å; K105-I107 VanDerWaalsContact C-N 3.34Å; K105-I107 PolarHBondContact O-N 3.27Å; K105-V108 PolarHBondContact O-N 2.84Å; K105-R109 PolarHBondContact O-N 3.19Å
106	L	90.6	Very high	90.9	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-36	178.9	-168.7	60	0	0	0	112.7	V88 V101 D102 Y103 D104 V108 R109 F110 I314	V88-L106 HydrophobicContact CB-CD1 4.21Å; V88-L106 HydrophobicContact CG1-CD2 4.31Å; V88-L106 HydrophobicContact CG2-CD1 4.24Å; V88-L106 HydrophobicContact CG2-CD2 4.18Å; V101-L106 HydrophobicContact CG1-CD2 4.01Å; D102-L106 WeakPolarHBondContact O-CB 3.36Å; D102-L106 PolarHBondContact O-N 3.12Å; Y103-L106 HydrophobicContact CD1-CD2 4.29Å; Y103-L106 PolarHBondContact O-N 2.65Å; D104-L106 VanDerWaalsContact C-N 3.28Å; D104-L106 PolarHBondContact O-N 2.64Å; L106-V108 VanDerWaalsContact C-N 3.32Å; L106-V108 PolarHBondContact O-N 3.47Å; L106-R109 PolarHBondContact O-N 2.93Å; L106-F110 HydrophobicContact CD1-CD1 3.96Å; L106-F110 HydrophobicContact CD1-CD2 4.23Å; L106-F110 HydrophobicContact CD1-CE1 3.72Å; L106-F110 HydrophobicContact CD1-CE2 4.01Å; L106-F110 HydrophobicContact CD1-CG 4.22Å; L106-F110 HydrophobicContact CD1-CZ 3.75Å; L106-F110 HydrophobicContact CG-CD2 4.41Å; L106-F110 HydrophobicContact CG-CE2 4.45Å; L106-F110 WeakPolarHBondContact O-CB 3.41Å; L106-F110 PolarHBondContact O-N 2.65Å; L106-I314 HydrophobicContact CD2-CD1 3.81Å; L106-I314 HydrophobicContact CD2-CG1 4.21Å; L106-I314 HydrophobicContact CD2-CG2 3.58Å; L106-I314 HydrophobicContact CG-CD1 3.92Å
107	I	91.2	Very high	91.6	Very high	17 Å²	17	58.1 Å²	58.1	9%	0.087	32%	0.315	C	S	.	.	H	α-helix	trans	-56.6	-49.3	172.7	-74.8	168	0	0	0	110.4	Y103 D104 K105 G111 S112 K114 F141	Y103-I107 WeakPolarHBondContact O-CG1 3.23Å; Y103-I107 PolarHBondContact O-N 3.02Å; D104-I107 WeakPolarHBondContact O-CB 3.33Å; D104-I107 PolarHBondContact O-N 2.98Å; K105-I107 VanDerWaalsContact C-N 3.34Å; K105-I107 PolarHBondContact O-N 3.27Å; I107-G111 WeakPolarHBondContact O-CA 3.25Å; I107-G111 PolarHBondContact O-N 3.31Å; I107-S112 VanDerWaalsContact CG2-O 3.22Å; I107-S112 WeakPolarHBondContact CG2-O 3.44Å; I107-S112 PolarHBondContact O-N 3.12Å; I107-K114 HydrophobicContact CD1-CB 4Å; I107-K114 HydrophobicContact CD1-CD 3.41Å; I107-K114 VanDerWaalsContact CD1-CD 3.41Å; I107-K114 HydrophobicContact CD1-CG 4.32Å; I107-F141 HydrophobicContact CD1-CD2 3.79Å; I107-F141 HydrophobicContact CD1-CE2 3.81Å; I107-F141 HydrophobicContact CG1-CD2 4.21Å; I107-F141 HydrophobicContact CG1-CE2 3.71Å
108	V	91.7	Very high	92.2	Very high	118 Å²	118	60.3 Å²	60.3	72%	0.715	33%	0.327	S	S	*	.	H	α-helix	trans	-62.9	-48.4	-179.3	178.3	0	0	0	0	110.4	D104 K105 L106 F110 G111	D104-V108 PolarHBondContact O-N 2.88Å; K105-V108 PolarHBondContact O-N 2.84Å; L106-V108 VanDerWaalsContact C-N 3.32Å; L106-V108 PolarHBondContact O-N 3.47Å; V108-F110 PolarHBondContact O-N 2.86Å; V108-G111 PolarHBondContact O-N 3.45Å; V108-G111 VanDerWaalsContact O-N 3.12Å
109	R	87.3	Confident	93	Very high	93 Å²	93	58.8 Å²	58.8	35%	0.351	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-44.4	-179.5	-174.4	172.5	69.9	-173.4	1.8	112.6	D86 K105 L106 G111	D86-R109 VanDerWaalsContact O-CZ 3.26Å; D86-R109 PolarHBondContact O-NH1 3.22Å; D86-R109 PolarHBondContact O-NH2 2.85Å; K105-R109 PolarHBondContact O-N 3.19Å; L106-R109 PolarHBondContact O-N 2.93Å; R109-G111 VanDerWaalsContact C-N 3.3Å
110	F	89.7	Confident	93.7	Very high	19 Å²	19	54.5 Å²	54.5	8%	0.083	30%	0.295	C	S	.	.	H	α-helix	trans	-82	-13.7	-179.8	-73.6	9.7	0	0	0	111.9	V88 L106 V108 S112 R144 I314 D317 R321	V88-F110 HydrophobicContact CB-CZ 4.28Å; V88-F110 HydrophobicContact CG1-CE2 4.38Å; V88-F110 HydrophobicContact CG1-CZ 4.13Å; L106-F110 HydrophobicContact CD1-CD1 3.96Å; L106-F110 HydrophobicContact CD1-CD2 4.23Å; L106-F110 HydrophobicContact CD1-CE1 3.72Å; L106-F110 HydrophobicContact CD1-CE2 4.01Å; L106-F110 HydrophobicContact CD1-CG 4.22Å; L106-F110 HydrophobicContact CD1-CZ 3.75Å; L106-F110 HydrophobicContact CG-CD2 4.41Å; L106-F110 HydrophobicContact CG-CE2 4.45Å; L106-F110 WeakPolarHBondContact O-CB 3.41Å; L106-F110 PolarHBondContact O-N 2.65Å; V108-F110 PolarHBondContact O-N 2.86Å; F110-S112 VanDerWaalsContact C-N 3.35Å; F110-R144 PolarHBondContact O-NH2 3.44Å; F110-I314 HydrophobicContact CD2-CD1 4.15Å; F110-I314 HydrophobicContact CD2-CG1 3.83Å; F110-I314 HydrophobicContact CE2-CG1 4.05Å; F110-D317 HydrophobicContact CD2-CB 3.94Å; F110-D317 HydrophobicContact CE2-CB 4.33Å; F110-R321 PolarHBondContact O-NH1 3Å
111	G	92.4	Very high	94.2	Very high	47 Å²	47	56.9 Å²	56.9	49%	0.485	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	37.4	-177.6	0	0	0	0	0	112.1	I107 V108 R109 R144	I107-G111 WeakPolarHBondContact O-CA 3.25Å; I107-G111 PolarHBondContact O-N 3.31Å; V108-G111 PolarHBondContact O-N 3.45Å; V108-G111 VanDerWaalsContact O-N 3.12Å; R109-G111 VanDerWaalsContact C-N 3.3Å; G111-R144 PolarHBondContact O-NH1 3.28Å
112	S	95.9	Very high	94.7	Very high	14 Å²	14	58.9 Å²	58.9	10%	0.098	31%	0.313	C	S	.	.			trans	-92.6	179.7	174.1	63.7	0	0	0	0	110.8	I107 F110 S142	I107-S112 VanDerWaalsContact CG2-O 3.22Å; I107-S112 WeakPolarHBondContact CG2-O 3.44Å; I107-S112 PolarHBondContact O-N 3.12Å; F110-S112 VanDerWaalsContact C-N 3.35Å; S112-S142 WeakPolarHBondContact CB-OG 3.49Å; S112-S142 PolarHBondContact OG-OG 3.19Å
113	S	97.9	Very high	95	Very high	60 Å²	60	56.2 Å²	56.2	42%	0.42	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141	178.8	-61.9	0	0	0	0	110.7	S142 H143	S113-S142 CarbonylContact O-C 3.52Å; S113-S142 WeakPolarHBondContact O-CA 3.36Å; S113-S142 PolarHBondContact O-OG 3.19Å; S113-H143 VanDerWaalsContact CB-NE2 3.34Å; S113-H143 WeakPolarHBondContact CB-NE2 3.27Å; S113-H143 PolarHBondContact N-O 3.36Å; S113-H143 PolarHBondContact O-CD2 3.19Å; S113-H143 PolarHBondContact O-N 3.39Å
114	K	98.1	Very high	95.3	Very high	96 Å²	96	57.3 Å²	57.3	42%	0.417	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138	173.2	-174.5	74.2	176.9	-161.1	0	109.7	D104 I107 D116 F141 H143	D104-K114 IonicContact OD1-NZ 2.73Å; D104-K114 PolarHBondContact OD1-NZ 3.08Å; I107-K114 HydrophobicContact CD1-CB 4Å; I107-K114 HydrophobicContact CD1-CD 3.41Å; I107-K114 VanDerWaalsContact CD1-CD 3.41Å; I107-K114 HydrophobicContact CD1-CG 4.32Å; K114-D116 PolarHBondContact O-N 3.04Å; K114-F141 WeakPolarHBondContact CD-O 3.34Å; K114-H143 PolarHBondContact O-CD2 2.82Å; K114-H143 PolarHBondContact O-NE2 2.88Å
115	I	98.6	Very high	95.6	Very high	13 Å²	13	61.1 Å²	61.1	7%	0.067	31%	0.314	C	S	.	.			trans	-77.5	108.1	165.5	-63	174.2	0	0	0	107.3	L119 I120 L135 F140 F141 H143 L338	I115-L119 HydrophobicContact CB-CD2 4.45Å; I115-L119 HydrophobicContact CG1-CD2 4.16Å; I115-L119 HydrophobicContact CG2-CD2 4.22Å; I115-I120 HydrophobicContact CG2-CD1 4.07Å; I115-I120 HydrophobicContact CG2-CG1 3.69Å; I115-L135 HydrophobicContact CD1-CD2 4.09Å; I115-L135 HydrophobicContact CG2-CD2 4.38Å; I115-F140 HydrophobicContact CD1-CB 4.48Å; I115-F141 PolarHBondContact N-O 2.89Å; I115-H143 HydrophobicContact CD1-CB 4.32Å; I115-H143 HydrophobicContact CG1-CB 3.96Å; I115-L338 HydrophobicContact CD1-CD2 3.61Å
116	D	97.8	Very high	95.9	Very high	82 Å²	82	56.8 Å²	56.8	44%	0.439	30%	0.299	S	S	.	.			trans	-94.6	176.2	176.8	64	22.5	0	0	0	112.2	K114 D118 L119 I120	K114-D116 PolarHBondContact O-N 3.04Å; D116-D118 VanDerWaalsContact C-N 3.26Å; D116-D118 PolarHBondContact O-N 3.2Å; D116-D118 PolarHBondContact OD1-N 3.3Å; D116-D118 VanDerWaalsContact OD1-N 3.15Å; D116-L119 PolarHBondContact O-N 2.88Å; D116-L119 WeakPolarHBondContact OD1-CB 3.44Å; D116-L119 PolarHBondContact OD1-N 3.07Å; D116-I120 WeakPolarHBondContact O-CG1 3.32Å; D116-I120 PolarHBondContact O-N 3.13Å; D116-I120 VanDerWaalsContact O-N 3.13Å
117	T	97.9	Very high	96.2	Very high	97 Å²	97	57.5 Å²	57.5	60%	0.595	30%	0.303	S	S	*	.	H	α-helix	trans	-63.2	-32.6	178.9	-53.7	0	0	0	0	112.2	I120 N121	T117-I120 PolarHBondContact O-N 3.04Å; T117-N121 WeakPolarHBondContact O-CB 3.49Å; T117-N121 PolarHBondContact O-N 3.48Å; T117-N121 PolarHBondContact O-ND2 3.39Å; T117-N121 PolarHBondContact O-OD1 3.08Å
118	D	98.3	Very high	96.5	Very high	118 Å²	118	60 Å²	60	63%	0.631	33%	0.334	S	S	*	.	H	α-helix	trans	-68.5	-42.1	-179.3	-74.8	-19.5	0	0	0	111.7	D116 N121 R122	D116-D118 VanDerWaalsContact C-N 3.26Å; D116-D118 PolarHBondContact O-N 3.2Å; D116-D118 PolarHBondContact OD1-N 3.3Å; D116-D118 VanDerWaalsContact OD1-N 3.15Å; D118-N121 PolarHBondContact O-N 3.31Å; D118-R122 WeakPolarHBondContact O-CB 3.49Å; D118-R122 PolarHBondContact O-N 3.32Å
119	L	98.6	Very high	96.7	Very high	7 Å²	7	58.5 Å²	58.5	4%	0.037	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-43	173.5	-178.4	59.4	0	0	0	111.4	I115 D116 N121 R122 I123 H143 M146 L150	I115-L119 HydrophobicContact CB-CD2 4.45Å; I115-L119 HydrophobicContact CG1-CD2 4.16Å; I115-L119 HydrophobicContact CG2-CD2 4.22Å; D116-L119 PolarHBondContact O-N 2.88Å; D116-L119 WeakPolarHBondContact OD1-CB 3.44Å; D116-L119 PolarHBondContact OD1-N 3.07Å; L119-N121 VanDerWaalsContact C-N 3.34Å; L119-N121 PolarHBondContact O-N 2.99Å; L119-R122 PolarHBondContact O-N 2.98Å; L119-I123 HydrophobicContact CG-CD1 4.32Å; L119-I123 WeakPolarHBondContact O-CG1 3.31Å; L119-I123 PolarHBondContact O-N 3.42Å; L119-H143 WeakPolarHBondContact CD2-NE2 3.14Å; L119-M146 HydrophobicContact CD1-CB 4.41Å; L119-M146 HydrophobicContact CD1-CG 4.16Å; L119-M146 HydrophobicContact CD2-CB 4.23Å; L119-M146 HydrophobicContact CD2-CG 4.36Å; L119-L150 HydrophobicContact CD1-CD1 3.59Å
120	I	98.6	Very high	97.1	Very high	26 Å²	26	60.1 Å²	60.1	13%	0.133	33%	0.328	C	S	.	.	H	α-helix	trans	-59.8	-46.1	175.5	-67.6	170.4	0	0	0	110.7	I115 D116 T117 R122 I123 E124 P131 L135	I115-I120 HydrophobicContact CG2-CD1 4.07Å; I115-I120 HydrophobicContact CG2-CG1 3.69Å; D116-I120 WeakPolarHBondContact O-CG1 3.32Å; D116-I120 PolarHBondContact O-N 3.13Å; D116-I120 VanDerWaalsContact O-N 3.13Å; T117-I120 PolarHBondContact O-N 3.04Å; I120-R122 VanDerWaalsContact C-N 3.29Å; I120-R122 PolarHBondContact O-N 3.04Å; I120-I123 WeakPolarHBondContact O-CB 3.49Å; I120-I123 PolarHBondContact O-N 2.91Å; I120-E124 PolarHBondContact O-N 3.08Å; I120-P131 HydrophobicContact CG2-CB 3.97Å; I120-P131 HydrophobicContact CG2-CG 3.73Å; I120-L135 HydrophobicContact CG1-CB 4.38Å
121	N	98.5	Very high	97.5	Very high	56 Å²	56	59.4 Å²	59.4	30%	0.299	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-35.1	177.4	-68.9	-20.7	0	0	0	111.7	T117 D118 L119 R125	T117-N121 WeakPolarHBondContact O-CB 3.49Å; T117-N121 PolarHBondContact O-N 3.48Å; T117-N121 PolarHBondContact O-ND2 3.39Å; T117-N121 PolarHBondContact O-OD1 3.08Å; D118-N121 PolarHBondContact O-N 3.31Å; L119-N121 VanDerWaalsContact C-N 3.34Å; L119-N121 PolarHBondContact O-N 2.99Å; N121-R125 WeakPolarHBondContact O-CG 3.39Å; N121-R125 PolarHBondContact O-N 3.13Å; N121-R125 PolarHBondContact O-NH1 3.25Å
122	R	98.5	Very high	97.8	Very high	51 Å²	51	58 Å²	58	19%	0.192	31%	0.306	C	S	.	.	H	α-helix	trans	-67.8	-43	174.5	-170.6	-177.8	174.3	-170.2	-0.1	111.6	D118 L119 I120 R125 A126 D147 L150 E154	D118-R122 WeakPolarHBondContact O-CB 3.49Å; D118-R122 PolarHBondContact O-N 3.32Å; L119-R122 PolarHBondContact O-N 2.98Å; I120-R122 VanDerWaalsContact C-N 3.29Å; I120-R122 PolarHBondContact O-N 3.04Å; R122-R125 PolarHBondContact O-N 3.27Å; R122-A126 WeakPolarHBondContact O-CB 3.46Å; R122-A126 PolarHBondContact O-N 3.4Å; R122-D147 IonicContact NH1-OD1 3.25Å; R122-D147 PolarHBondContact NH1-OD1 2.79Å; R122-L150 HydrophobicContact CB-CD1 4.29Å; R122-L150 HydrophobicContact CG-CD1 3.92Å; R122-E154 IonicContact CZ-OE1 3.76Å; R122-E154 IonicContact CZ-OE2 2.72Å; R122-E154 IonicContact NE-OE1 3.73Å; R122-E154 PolarHBondContact NE-OE1 3.09Å; R122-E154 IonicContact NE-OE2 2.84Å; R122-E154 IonicContact NH2-OE1 3.65Å; R122-E154 PolarHBondContact NH2-OE1 3.03Å; R122-E154 IonicContact NH2-OE2 2.74Å; R122-E154 PolarHBondContact NH2-OE2 3.04Å
123	I	98.5	Very high	97.9	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-56.7	-52.1	173.3	-68.5	166.6	0	0	0	109.1	L119 I120 R125 A126 I127 L135 M146 L150 W185	L119-I123 HydrophobicContact CG-CD1 4.32Å; L119-I123 WeakPolarHBondContact O-CG1 3.31Å; L119-I123 PolarHBondContact O-N 3.42Å; I120-I123 WeakPolarHBondContact O-CB 3.49Å; I120-I123 PolarHBondContact O-N 2.91Å; I123-R125 VanDerWaalsContact C-N 3.34Å; I123-R125 PolarHBondContact O-N 2.91Å; I123-A126 WeakPolarHBondContact O-CB 3.4Å; I123-A126 PolarHBondContact O-N 3.33Å; I123-I127 HydrophobicContact CG2-CD1 4.13Å; I123-I127 HydrophobicContact CG2-CG2 4.48Å; I123-I127 VanDerWaalsContact O-CG1 3.3Å; I123-I127 WeakPolarHBondContact O-CG1 3.49Å; I123-I127 PolarHBondContact O-N 2.64Å; I123-L135 HydrophobicContact CD1-CD1 4.04Å; I123-L135 HydrophobicContact CG2-CD1 4.31Å; I123-M146 HydrophobicContact CD1-CE 4.27Å; I123-M146 HydrophobicContact CG1-CE 4.3Å; I123-L150 HydrophobicContact CG1-CD1 3.91Å; I123-L150 HydrophobicContact CG1-CD2 4.15Å; I123-W185 HydrophobicContact CG2-CH2 4.23Å
124	E	98.4	Very high	98	Very high	76 Å²	76	55.5 Å²	55.5	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-52.2	-48.9	178.2	-176.7	161.5	-136.4	0	0	112.5	I120 A126 I127 G128 P131	I120-E124 PolarHBondContact O-N 3.08Å; E124-A126 VanDerWaalsContact C-N 3.34Å; E124-A126 PolarHBondContact O-N 2.83Å; E124-I127 PolarHBondContact O-N 2.84Å; E124-G128 WeakPolarHBondContact O-CA 3.36Å; E124-G128 PolarHBondContact O-N 3.16Å; E124-P131 HydrophobicContact CB-CG 3.7Å; E124-P131 HydrophobicContact CG-CG 4.24Å; E124-P131 WeakPolarHBondContact OE1-CD 3.13Å
125	R	98.4	Very high	98	Very high	172 Å²	172	51.1 Å²	51.1	65%	0.649	27%	0.266	S	S	*	.	H	α-helix	trans	-62.3	-39.9	177.3	-72.8	-173.3	-59.8	-89.4	3.3	112.6	N121 R122 I123	N121-R125 WeakPolarHBondContact O-CG 3.39Å; N121-R125 PolarHBondContact O-N 3.13Å; N121-R125 PolarHBondContact O-NH1 3.25Å; R122-R125 PolarHBondContact O-N 3.27Å; I123-R125 VanDerWaalsContact C-N 3.34Å; I123-R125 PolarHBondContact O-N 2.91Å
126	A	97.4	Very high	98	Very high	24 Å²	24	54.2 Å²	54.2	20%	0.198	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-41.6	-179.9	0	0	0	0	0	111.9	R122 I123 E124 L150 Y153	R122-A126 WeakPolarHBondContact O-CB 3.46Å; R122-A126 PolarHBondContact O-N 3.4Å; I123-A126 WeakPolarHBondContact O-CB 3.4Å; I123-A126 PolarHBondContact O-N 3.33Å; E124-A126 VanDerWaalsContact C-N 3.34Å; E124-A126 PolarHBondContact O-N 2.83Å; A126-L150 HydrophobicContact CB-CD2 4.01Å; A126-Y153 HydrophobicContact CB-CD1 4.23Å; A126-Y153 HydrophobicContact CB-CE1 4.38Å; A126-Y153 WeakPolarHBondContact O-CE1 3.18Å
127	I	96.7	Very high	98	Very high	19 Å²	19	52.8 Å²	52.8	10%	0.097	27%	0.266	C	S	.	.	H	α-helix	trans	-91.2	-12.8	-176.6	68.3	174.9	0	0	0	114	I123 E124 Q129 W185 V189 F190	I123-I127 HydrophobicContact CG2-CD1 4.13Å; I123-I127 HydrophobicContact CG2-CG2 4.48Å; I123-I127 VanDerWaalsContact O-CG1 3.3Å; I123-I127 WeakPolarHBondContact O-CG1 3.49Å; I123-I127 PolarHBondContact O-N 2.64Å; E124-I127 PolarHBondContact O-N 2.84Å; I127-Q129 VanDerWaalsContact C-N 3.27Å; I127-Q129 HydrophobicContact CB-CG 4.16Å; I127-Q129 HydrophobicContact CD1-CG 3.47Å; I127-Q129 VanDerWaalsContact CD1-CG 3.47Å; I127-Q129 HydrophobicContact CG1-CG 3.59Å; I127-Q129 PolarHBondContact O-N 3.24Å; I127-W185 HydrophobicContact CD1-CH2 3.77Å; I127-W185 HydrophobicContact CD1-CZ2 3.44Å; I127-W185 VanDerWaalsContact CD1-CZ2 3.44Å; I127-V189 HydrophobicContact CB-CB 4.19Å; I127-V189 HydrophobicContact CB-CG2 4.46Å; I127-V189 HydrophobicContact CD1-CB 4.23Å; I127-V189 HydrophobicContact CD1-CG1 4.43Å; I127-V189 HydrophobicContact CD1-CG2 4.27Å; I127-V189 HydrophobicContact CG2-CB 4.13Å; I127-V189 HydrophobicContact CG2-CG2 3.9Å; I127-F190 HydrophobicContact CG2-CD1 4.03Å; I127-F190 HydrophobicContact CG2-CD2 4.45Å; I127-F190 HydrophobicContact CG2-CE1 3.59Å; I127-F190 HydrophobicContact CG2-CE2 4.04Å; I127-F190 HydrophobicContact CG2-CG 4.44Å; I127-F190 HydrophobicContact CG2-CZ 3.59Å
128	G	97.1	Very high	98	Very high	71 Å²	71	49.9 Å²	49.9	73%	0.732	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	22.1	179.3	0	0	0	0	0	115	E124	E124-G128 WeakPolarHBondContact O-CA 3.36Å; E124-G128 PolarHBondContact O-N 3.16Å
129	Q	95.9	Very high	98	Very high	86 Å²	86	44.5 Å²	44.5	40%	0.402	23%	0.226	S	C	.	.	S	Bend	trans	-150.3	160.2	-177.3	64.3	-173.6	-57	0	0	111.7	I127 V189	I127-Q129 VanDerWaalsContact C-N 3.27Å; I127-Q129 HydrophobicContact CB-CG 4.16Å; I127-Q129 HydrophobicContact CD1-CG 3.47Å; I127-Q129 VanDerWaalsContact CD1-CG 3.47Å; I127-Q129 HydrophobicContact CG1-CG 3.59Å; I127-Q129 PolarHBondContact O-N 3.24Å; Q129-V189 VanDerWaalsContact CD-CG1 3.43Å; Q129-V189 HydrophobicContact CG-CG1 4.37Å
130	K	96.7	Very high	98	Very high	127 Å²	127	44.2 Å²	44.2	55%	0.552	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-54.4	126.6	-179.1	-171.2	175.9	-176.4	-177.6	0	110.7	R136 D413	K130-R136 VanDerWaalsContact CE-CZ 3.48Å; K130-D413 IonicContact NZ-OD2 2.93Å
131	P	98.2	Very high	98	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.026	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-55.3	146.2	177.5	-29.1	35.6	0	0	0	111.8	I120 E124 L135 R136	I120-P131 HydrophobicContact CG2-CB 3.97Å; I120-P131 HydrophobicContact CG2-CG 3.73Å; E124-P131 HydrophobicContact CB-CG 3.7Å; E124-P131 HydrophobicContact CG-CG 4.24Å; E124-P131 WeakPolarHBondContact OE1-CD 3.13Å; P131-L135 HydrophobicContact CB-CB 4.38Å; P131-L135 HydrophobicContact CB-CD1 4.25Å; P131-R136 HydrophobicContact CB-CG 4.22Å; P131-R136 PolarHBondContact O-NH1 2.8Å
132	H	98.6	Very high	98	Very high	17 Å²	17	40.5 Å²	40.5	8%	0.079	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-53.3	146.3	176.9	-164	-101.5	0	0	0	111.7	F134 L135 R136 F182 W185	H132-F134 AromaticContact CE1-CD1 3.85Å; H132-F134 AromaticContact CE1-CD2 3.31Å; H132-F134 WeakPolarHBondContact CE1-CD2 3.42Å; H132-F134 AromaticContact CE1-CE2 3.57Å; H132-F134 AromaticContact CE1-CG 3.45Å; H132-F134 VanDerWaalsContact CE1-CG 3.45Å; H132-F134 WeakPolarHBondContact CE1-CG 3.18Å; H132-F134 AromaticContact CE1-CZ 3.97Å; H132-F134 WeakPolarHBondContact ND1-CB 3.26Å; H132-F134 AromaticContact ND1-CD1 3.92Å; H132-F134 AromaticContact ND1-CD2 3.35Å; H132-F134 WeakPolarHBondContact ND1-CD2 3.5Å; H132-F134 AromaticContact ND1-CG 3.23Å; H132-F134 WeakPolarHBondContact ND1-CG 3.34Å; H132-F134 PolarHBondContact ND1-N 3.44Å; H132-F134 VanDerWaalsContact ND1-N 3.16Å; H132-F134 PolarHBondContact O-N 3.18Å; H132-L135 WeakPolarHBondContact O-CB 3.36Å; H132-L135 PolarHBondContact O-N 3.11Å; H132-R136 PolarHBondContact O-N 3.32Å; H132-F182 HydrophobicContact CB-CD2 4.12Å; H132-F182 HydrophobicContact CB-CE2 3.87Å; H132-F182 AromaticContact CG-CD2 4Å; H132-F182 AromaticContact ND1-CD2 3.81Å; H132-W185 HydrophobicContact CB-CD2 3.6Å; H132-W185 HydrophobicContact CB-CE3 3.75Å; H132-W185 HydrophobicContact CB-CG 4.16Å; H132-W185 HydrophobicContact CB-CH2 4.04Å; H132-W185 HydrophobicContact CB-CZ2 3.89Å; H132-W185 HydrophobicContact CB-CZ3 3.96Å; H132-W185 AromaticContact CD2-CD1 3.77Å; H132-W185 AromaticContact CD2-CG 3.6Å
133	R	98.3	Very high	98	Very high	22 Å²	22	38.7 Å²	38.7	8%	0.083	20%	0.199	C	C	.	.	H	α-helix	trans	-54.9	-28.9	178.7	67.7	-177	175.7	-94.2	1.4	112.9	L135 R136 R137 F408 E411	R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.49Å; R133-R136 PolarHBondContact O-N 2.85Å; R133-R137 VanDerWaalsContact O-CB 3.27Å; R133-R137 WeakPolarHBondContact O-CB 3.34Å; R133-R137 VanDerWaalsContact O-CG 3.28Å; R133-R137 WeakPolarHBondContact O-CG 3.25Å; R133-R137 PolarHBondContact O-N 2.95Å; R133-F408 PolarHBondContact NE-O 3.39Å; R133-F408 PolarHBondContact NH2-O 3.29Å; R133-E411 IonicContact CZ-OE1 2.71Å; R133-E411 IonicContact NH1-OE1 3.28Å; R133-E411 PolarHBondContact NH1-OE1 3.02Å
134	F	98.7	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-29.5	177.3	-62.8	-20.4	0	0	0	113.9	H132 G138 I139 F140 I178 I181 F182 F408	H132-F134 AromaticContact CE1-CD1 3.85Å; H132-F134 AromaticContact CE1-CD2 3.31Å; H132-F134 WeakPolarHBondContact CE1-CD2 3.42Å; H132-F134 AromaticContact CE1-CE2 3.57Å; H132-F134 AromaticContact CE1-CG 3.45Å; H132-F134 VanDerWaalsContact CE1-CG 3.45Å; H132-F134 WeakPolarHBondContact CE1-CG 3.18Å; H132-F134 AromaticContact CE1-CZ 3.97Å; H132-F134 WeakPolarHBondContact ND1-CB 3.26Å; H132-F134 AromaticContact ND1-CD1 3.92Å; H132-F134 AromaticContact ND1-CD2 3.35Å; H132-F134 WeakPolarHBondContact ND1-CD2 3.5Å; H132-F134 AromaticContact ND1-CG 3.23Å; H132-F134 WeakPolarHBondContact ND1-CG 3.34Å; H132-F134 PolarHBondContact ND1-N 3.44Å; H132-F134 VanDerWaalsContact ND1-N 3.16Å; H132-F134 PolarHBondContact O-N 3.18Å; F134-G138 PolarHBondContact O-N 2.86Å; F134-I139 HydrophobicContact CB-CB 3.87Å; F134-I139 HydrophobicContact CB-CG2 3.93Å; F134-I139 HydrophobicContact CD1-CB 4.04Å; F134-I139 HydrophobicContact CD1-CD1 3.47Å; F134-I139 VanDerWaalsContact CD1-CD1 3.47Å; F134-I139 HydrophobicContact CD1-CG1 4.35Å; F134-I139 HydrophobicContact CD1-CG2 3.84Å; F134-I139 HydrophobicContact CD2-CG2 4.39Å; F134-I139 HydrophobicContact CE1-CD1 3.94Å; F134-I139 HydrophobicContact CE1-CG2 4.4Å; F134-I139 HydrophobicContact CG-CB 4.15Å; F134-I139 HydrophobicContact CG-CD1 4.41Å; F134-I139 HydrophobicContact CG-CG2 3.83Å; F134-I139 WeakPolarHBondContact O-CA 3.5Å; F134-I139 PolarHBondContact O-N 3.32Å; F134-F140 HydrophobicContact CB-CD2 3.87Å; F134-F140 HydrophobicContact CD2-CD2 4.1Å; F134-F140 HydrophobicContact CD2-CE2 4.09Å; F134-F140 HydrophobicContact CG-CD2 4.39Å; F134-F140 PolarHBondContact O-N 3.4Å; F134-I178 HydrophobicContact CD2-CG2 4.45Å; F134-I178 HydrophobicContact CE2-CG2 4.01Å; F134-I178 WeakPolarHBondContact CE2-O 3.4Å; F134-I178 HydrophobicContact CZ-CD1 3.94Å; F134-I178 HydrophobicContact CZ-CG2 4.25Å; F134-I181 HydrophobicContact CE2-CB 4.26Å; F134-I181 HydrophobicContact CE2-CG2 4Å; F134-I181 HydrophobicContact CZ-CG2 4.33Å; F134-F182 HydrophobicContact CB-CD2 4.26Å; F134-F182 HydrophobicContact CD2-CB 3.91Å; F134-F182 HydrophobicContact CD2-CD2 4Å; F134-F182 HydrophobicContact CD2-CG 4.23Å; F134-F182 HydrophobicContact CE2-CB 4.29Å; F134-F408 HydrophobicContact CE1-CB 4.29Å; F134-F408 HydrophobicContact CE1-CD1 4.31Å; F134-F408 VanDerWaalsContact CE1-O 3.26Å; F134-F408 WeakPolarHBondContact CE1-O 3.34Å
135	L	98.6	Very high	98	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-75.1	-49.1	170.2	-68.9	169.9	0	0	0	109.9	I115 I120 I123 P131 H132 R133 R137 G138 F140 F182 W185	I115-L135 HydrophobicContact CD1-CD2 4.09Å; I115-L135 HydrophobicContact CG2-CD2 4.38Å; I120-L135 HydrophobicContact CG1-CB 4.38Å; I123-L135 HydrophobicContact CD1-CD1 4.04Å; I123-L135 HydrophobicContact CG2-CD1 4.31Å; P131-L135 HydrophobicContact CB-CB 4.38Å; P131-L135 HydrophobicContact CB-CD1 4.25Å; H132-L135 WeakPolarHBondContact O-CB 3.36Å; H132-L135 PolarHBondContact O-N 3.11Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.49Å; L135-R137 PolarHBondContact O-N 2.79Å; L135-G138 PolarHBondContact O-N 3.5Å; L135-G138 VanDerWaalsContact O-N 3.13Å; L135-F140 HydrophobicContact CD2-CB 4.09Å; L135-F182 HydrophobicContact CD1-CE2 4.21Å; L135-F182 HydrophobicContact CD1-CZ 4.14Å; L135-F182 HydrophobicContact CD2-CE2 4.47Å; L135-F182 HydrophobicContact CD2-CZ 3.95Å; L135-F182 HydrophobicContact CG-CE2 3.94Å; L135-F182 HydrophobicContact CG-CZ 3.89Å; L135-W185 HydrophobicContact CD1-CH2 3.86Å; L135-W185 HydrophobicContact CD1-CZ3 3.95Å
136	R	98	Very high	98	Very high	79 Å²	79	29.8 Å²	29.8	30%	0.298	16%	0.164	S	C	.	.	H	α-helix	trans	-59.2	-33.4	-177.4	-56.1	-166.6	-51	-94	1.2	113.5	K130 P131 H132 R133 D413	K130-R136 VanDerWaalsContact CE-CZ 3.48Å; P131-R136 HydrophobicContact CB-CG 4.22Å; P131-R136 PolarHBondContact O-NH1 2.8Å; H132-R136 PolarHBondContact O-N 3.32Å; R133-R136 PolarHBondContact O-N 2.85Å; R136-D413 IonicContact CZ-OD2 3.45Å; R136-D413 VanDerWaalsContact CZ-OD2 3.29Å; R136-D413 IonicContact NE-OD2 2.78Å; R136-D413 PolarHBondContact NE-OD2 3.39Å; R136-D413 IonicContact NH2-OD1 3.77Å; R136-D413 PolarHBondContact NH2-OD1 2.97Å; R136-D413 IonicContact NH2-OD2 3.26Å; R136-D413 PolarHBondContact NH2-OD2 2.98Å
137	R	98.2	Very high	98.1	Very high	52 Å²	52	32 Å²	32	20%	0.196	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	6.9	-177.4	-59.6	176.4	-174.5	179.4	-2.8	113.5	R133 L135 I139 T407 L410 E411 D413	R133-R137 VanDerWaalsContact O-CB 3.27Å; R133-R137 WeakPolarHBondContact O-CB 3.34Å; R133-R137 VanDerWaalsContact O-CG 3.28Å; R133-R137 WeakPolarHBondContact O-CG 3.25Å; R133-R137 PolarHBondContact O-N 2.95Å; L135-R137 PolarHBondContact O-N 2.79Å; R137-I139 VanDerWaalsContact C-N 3.25Å; R137-I139 HydrophobicContact CB-CD1 4.41Å; R137-I139 PolarHBondContact O-N 3.14Å; R137-T407 VanDerWaalsContact CD-O 3.28Å; R137-T407 WeakPolarHBondContact CD-O 3.36Å; R137-T407 PolarHBondContact NH1-O 3.23Å; R137-L410 PolarHBondContact NH1-O 3.02Å; R137-L410 PolarHBondContact NH2-O 3.25Å; R137-E411 PolarHBondContact NH2-O 3.31Å; R137-D413 IonicContact CZ-OD1 3.71Å; R137-D413 IonicContact NE-OD1 2.73Å; R137-D413 PolarHBondContact NE-OD1 2.82Å; R137-D413 IonicContact NH2-OD1 3.66Å; R137-D413 PolarHBondContact NH2-OD1 2.72Å
138	G	98	Very high	98	Very high	36 Å²	36	35.6 Å²	35.6	37%	0.371	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	29.4	-179.5	0	0	0	0	0	114	F134 L135 F141	F134-G138 PolarHBondContact O-N 2.86Å; L135-G138 PolarHBondContact O-N 3.5Å; L135-G138 VanDerWaalsContact O-N 3.13Å; G138-F141 WeakPolarHBondContact O-CB 3.47Å
139	I	98.4	Very high	98.1	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	15%	0.154	C	C	.	.	S	Bend	trans	-76.4	-45.9	170.7	-74.2	161.6	0	0	0	109.3	F134 R137 I178 S340 V341 T407 F408	F134-I139 HydrophobicContact CB-CB 3.87Å; F134-I139 HydrophobicContact CB-CG2 3.93Å; F134-I139 HydrophobicContact CD1-CB 4.04Å; F134-I139 HydrophobicContact CD1-CD1 3.47Å; F134-I139 VanDerWaalsContact CD1-CD1 3.47Å; F134-I139 HydrophobicContact CD1-CG1 4.35Å; F134-I139 HydrophobicContact CD1-CG2 3.84Å; F134-I139 HydrophobicContact CD2-CG2 4.39Å; F134-I139 HydrophobicContact CE1-CD1 3.94Å; F134-I139 HydrophobicContact CE1-CG2 4.4Å; F134-I139 HydrophobicContact CG-CB 4.15Å; F134-I139 HydrophobicContact CG-CD1 4.41Å; F134-I139 HydrophobicContact CG-CG2 3.83Å; F134-I139 WeakPolarHBondContact O-CA 3.5Å; F134-I139 PolarHBondContact O-N 3.32Å; R137-I139 VanDerWaalsContact C-N 3.25Å; R137-I139 HydrophobicContact CB-CD1 4.41Å; R137-I139 PolarHBondContact O-N 3.14Å; I139-I178 HydrophobicContact CG2-CG2 4.03Å; I139-S340 CarbonylContact O-C 3.55Å; I139-S340 WeakPolarHBondContact O-CA 3.41Å; I139-V341 HydrophobicContact CB-CG2 4.33Å; I139-V341 HydrophobicContact CG1-CG2 4.39Å; I139-V341 HydrophobicContact CG2-CG2 4.1Å; I139-V341 PolarHBondContact O-N 3.19Å; I139-T407 WeakPolarHBondContact CD1-O 3.48Å; I139-F408 HydrophobicContact CB-CE1 4.34Å; I139-F408 HydrophobicContact CD1-CB 4.32Å; I139-F408 HydrophobicContact CD1-CD1 3.6Å; I139-F408 HydrophobicContact CD1-CE1 4.02Å; I139-F408 HydrophobicContact CD1-CG 3.89Å; I139-F408 HydrophobicContact CG1-CD1 4Å; I139-F408 HydrophobicContact CG1-CE1 3.88Å; I139-F408 HydrophobicContact CG1-CZ 4.33Å; I139-F408 HydrophobicContact CG2-CD1 3.81Å; I139-F408 HydrophobicContact CG2-CE1 3.57Å
140	F	98.7	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.8	158.7	-86	-94.9	0	0	0	107	I115 F134 L135 I178 F182 P311 L338 H339	I115-F140 HydrophobicContact CD1-CB 4.48Å; F134-F140 HydrophobicContact CB-CD2 3.87Å; F134-F140 HydrophobicContact CD2-CD2 4.1Å; F134-F140 HydrophobicContact CD2-CE2 4.09Å; F134-F140 HydrophobicContact CG-CD2 4.39Å; F134-F140 PolarHBondContact O-N 3.4Å; L135-F140 HydrophobicContact CD2-CB 4.09Å; F140-I178 HydrophobicContact CE2-CG2 4.39Å; F140-F182 HydrophobicContact CB-CE1 4.26Å; F140-F182 HydrophobicContact CB-CZ 4.28Å; F140-F182 AromaticContact CD1-CD1 3.76Å; F140-F182 HydrophobicContact CD1-CD1 3.76Å; F140-F182 AromaticContact CD1-CE1 3.6Å; F140-F182 HydrophobicContact CD1-CE1 3.6Å; F140-F182 HydrophobicContact CD1-CZ 4.43Å; F140-F182 HydrophobicContact CD2-CB 4.17Å; F140-F182 AromaticContact CD2-CD1 3.56Å; F140-F182 HydrophobicContact CD2-CD1 3.56Å; F140-F182 HydrophobicContact CD2-CD2 4.07Å; F140-F182 AromaticContact CD2-CE1 3.85Å; F140-F182 HydrophobicContact CD2-CE1 3.85Å; F140-F182 HydrophobicContact CD2-CE2 4.36Å; F140-F182 AromaticContact CD2-CG 3.66Å; F140-F182 HydrophobicContact CD2-CG 3.66Å; F140-F182 HydrophobicContact CD2-CZ 4.25Å; F140-F182 AromaticContact CE1-CD1 3.5Å; F140-F182 HydrophobicContact CE1-CD1 3.5Å; F140-F182 VanDerWaalsContact CE1-CD1 3.5Å; F140-F182 AromaticContact CE1-CE1 3.79Å; F140-F182 HydrophobicContact CE1-CE1 3.79Å; F140-F182 HydrophobicContact CE1-CG 4.41Å; F140-F182 HydrophobicContact CE2-CB 3.43Å; F140-F182 VanDerWaalsContact CE2-CB 3.43Å; F140-F182 AromaticContact CE2-CD1 3.29Å; F140-F182 HydrophobicContact CE2-CD1 3.29Å; F140-F182 HydrophobicContact CE2-CD2 4.19Å; F140-F182 HydrophobicContact CE2-CE1 4.04Å; F140-F182 AromaticContact CE2-CG 3.36Å; F140-F182 HydrophobicContact CE2-CG 3.36Å; F140-F182 AromaticContact CG-CD1 3.77Å; F140-F182 HydrophobicContact CG-CD1 3.77Å; F140-F182 AromaticContact CG-CE1 3.62Å; F140-F182 HydrophobicContact CG-CE1 3.62Å; F140-F182 HydrophobicContact CG-CG 4.3Å; F140-F182 HydrophobicContact CG-CZ 4.06Å; F140-F182 HydrophobicContact CZ-CB 3.83Å; F140-F182 AromaticContact CZ-CD1 3.25Å; F140-F182 HydrophobicContact CZ-CD1 3.25Å; F140-F182 HydrophobicContact CZ-CE1 4Å; F140-F182 AromaticContact CZ-CG 3.78Å; F140-F182 HydrophobicContact CZ-CG 3.78Å; F140-P311 HydrophobicContact CE1-CB 4.26Å; F140-P311 HydrophobicContact CZ-CB 4.46Å; F140-L338 HydrophobicContact CD1-CB 3.85Å; F140-L338 HydrophobicContact CE1-CB 4.16Å; F140-L338 WeakPolarHBondContact CE1-O 3.13Å; F140-H339 CarbonylContact C-O 3.49Å; F140-H339 WeakPolarHBondContact CA-O 3.49Å; F140-H339 VanDerWaalsContact CD1-C 3.49Å
141	F	98.4	Very high	98.2	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.022	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	-17.7	-162.4	75.4	-80.7	0	0	0	113.8	Y103 I107 K114 I115 G138 I314 H339 V341	Y103-F141 AromaticContact CD1-CE1 3.71Å; Y103-F141 HydrophobicContact CD1-CE1 3.71Å; Y103-F141 HydrophobicContact CD1-CE2 4.05Å; Y103-F141 AromaticContact CD1-CZ 3.42Å; Y103-F141 HydrophobicContact CD1-CZ 3.42Å; Y103-F141 VanDerWaalsContact CD1-CZ 3.42Å; Y103-F141 HydrophobicContact CE1-CE1 4.27Å; Y103-F141 HydrophobicContact CE1-CZ 4.33Å; Y103-F141 HydrophobicContact CG-CE1 4.31Å; Y103-F141 HydrophobicContact CG-CE2 4.16Å; Y103-F141 AromaticContact CG-CZ 3.97Å; Y103-F141 HydrophobicContact CG-CZ 3.97Å; Y103-F141 WeakPolarHBondContact O-CE2 3.28Å; I107-F141 HydrophobicContact CD1-CD2 3.79Å; I107-F141 HydrophobicContact CD1-CE2 3.81Å; I107-F141 HydrophobicContact CG1-CD2 4.21Å; I107-F141 HydrophobicContact CG1-CE2 3.71Å; K114-F141 WeakPolarHBondContact CD-O 3.34Å; I115-F141 PolarHBondContact N-O 2.89Å; G138-F141 WeakPolarHBondContact O-CB 3.47Å; F141-I314 HydrophobicContact CE1-CB 4.46Å; F141-I314 HydrophobicContact CE1-CD1 4.28Å; F141-I314 HydrophobicContact CE2-CD1 4.29Å; F141-I314 HydrophobicContact CZ-CB 4.44Å; F141-I314 HydrophobicContact CZ-CD1 3.52Å; F141-H339 WeakPolarHBondContact CD1-O 3.47Å; F141-H339 PolarHBondContact N-O 2.92Å; F141-V341 HydrophobicContact CD1-CG1 3.51Å; F141-V341 HydrophobicContact CE1-CG1 3.87Å; F141-V341 HydrophobicContact CG-CG1 4.2Å
142	S	98.6	Very high	98	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.4	-178.3	158.9	0	0	0	0	110.4	S112 S113 H339	S112-S142 WeakPolarHBondContact CB-OG 3.49Å; S112-S142 PolarHBondContact OG-OG 3.19Å; S113-S142 CarbonylContact O-C 3.52Å; S113-S142 WeakPolarHBondContact O-CA 3.36Å; S113-S142 PolarHBondContact O-OG 3.19Å; S142-H339 PolarHBondContact O-N 3.45Å; S142-H339 PolarHBondContact OG-ND1 2.78Å
143	H	98.8	Very high	98	Very high	13 Å²	13	29.5 Å²	29.5	6%	0.06	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	169.6	179.1	74.8	105.9	0	0	0	112.4	S113 K114 I115 L119 M146 D147 L337 L338	S113-H143 VanDerWaalsContact CB-NE2 3.34Å; S113-H143 WeakPolarHBondContact CB-NE2 3.27Å; S113-H143 PolarHBondContact N-O 3.36Å; S113-H143 PolarHBondContact O-CD2 3.19Å; S113-H143 PolarHBondContact O-N 3.39Å; K114-H143 PolarHBondContact O-CD2 2.82Å; K114-H143 PolarHBondContact O-NE2 2.88Å; I115-H143 HydrophobicContact CD1-CB 4.32Å; I115-H143 HydrophobicContact CG1-CB 3.96Å; L119-H143 WeakPolarHBondContact CD2-NE2 3.14Å; H143-M146 HydrophobicContact CB-CB 4.09Å; H143-M146 WeakPolarHBondContact ND1-CB 3.35Å; H143-D147 IonicContact CE1-OD2 3.76Å; H143-L337 CarbonylContact C-O 3.6Å; H143-L337 WeakPolarHBondContact CA-O 3.34Å; H143-L337 VanDerWaalsContact CB-O 3.27Å; H143-L337 WeakPolarHBondContact CB-O 3.16Å; H143-L338 HydrophobicContact CB-CD2 3.88Å
144	R	98.7	Very high	97.9	Very high	24 Å²	24	32.3 Å²	32.3	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128	162.6	-61.2	-178.4	-178.1	-80.2	3.4	108.6	F110 G111 M146 D317 A336 L337	F110-R144 PolarHBondContact O-NH2 3.44Å; G111-R144 PolarHBondContact O-NH1 3.28Å; R144-M146 PolarHBondContact O-N 2.82Å; R144-D317 IonicContact CZ-OD1 3.4Å; R144-D317 IonicContact CZ-OD2 3.98Å; R144-D317 IonicContact NE-OD1 3.57Å; R144-D317 PolarHBondContact NE-OD1 3.13Å; R144-D317 IonicContact NE-OD2 2.75Å; R144-D317 IonicContact NH2-OD1 2.61Å; R144-D317 PolarHBondContact NH2-OD1 3.01Å; R144-D317 IonicContact NH2-OD2 2.73Å; R144-D317 PolarHBondContact NH2-OD2 3.24Å; R144-A336 CarbonylContact O-C 3.54Å; R144-A336 VanDerWaalsContact O-CA 3.23Å; R144-A336 WeakPolarHBondContact O-CA 3.27Å; R144-A336 WeakPolarHBondContact O-CB 3.12Å; R144-L337 HydrophobicContact CB-CB 4.2Å; R144-L337 HydrophobicContact CB-CD1 4.15Å; R144-L337 HydrophobicContact CG-CB 4.43Å; R144-L337 HydrophobicContact CG-CD1 4.44Å; R144-L337 PolarHBondContact N-O 3.33Å; R144-L337 PolarHBondContact O-N 3.2Å
145	D	98.4	Very high	97.7	Very high	38 Å²	38	36.6 Å²	36.6	20%	0.203	18%	0.18	C	C	.	.	S	Bend	trans	54.7	22.8	174.4	-61.2	-15.6	0	0	0	115.9	D147 Q148 V149 R324 A336	D145-D147 PolarHBondContact O-N 3.5Å; D145-Q148 HydrophobicContact CB-CB 4.3Å; D145-Q148 HydrophobicContact CB-CG 4.03Å; D145-Q148 WeakPolarHBondContact O-CB 3.32Å; D145-Q148 PolarHBondContact O-N 3.04Å; D145-Q148 PolarHBondContact OD1-NE2 2.84Å; D145-Q148 PolarHBondContact OD2-NE2 2.83Å; D145-V149 PolarHBondContact O-N 3.37Å; D145-R324 IonicContact OD1-NH2 3.47Å; D145-R324 IonicContact OD2-CZ 3.29Å; D145-R324 IonicContact OD2-NH1 3.2Å; D145-R324 PolarHBondContact OD2-NH1 2.89Å; D145-R324 IonicContact OD2-NH2 2.76Å; D145-R324 PolarHBondContact OD2-NH2 2.91Å; D145-A336 HydrophobicContact CB-CB 4.22Å
146	M	98.5	Very high	97.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.4	-33.8	173.3	-170.9	60.9	-169	0	0	112.1	L119 I123 H143 R144 Q148 V149 L150 F190 L309 L338	L119-M146 HydrophobicContact CD1-CB 4.41Å; L119-M146 HydrophobicContact CD1-CG 4.16Å; L119-M146 HydrophobicContact CD2-CB 4.23Å; L119-M146 HydrophobicContact CD2-CG 4.36Å; I123-M146 HydrophobicContact CD1-CE 4.27Å; I123-M146 HydrophobicContact CG1-CE 4.3Å; H143-M146 HydrophobicContact CB-CB 4.09Å; H143-M146 WeakPolarHBondContact ND1-CB 3.35Å; R144-M146 PolarHBondContact O-N 2.82Å; M146-Q148 PolarHBondContact O-N 2.99Å; M146-V149 WeakPolarHBondContact O-CB 3.19Å; M146-V149 PolarHBondContact O-N 2.87Å; M146-V149 VanDerWaalsContact O-N 3.14Å; M146-V149 HydrophobicContact SD-CB 4.22Å; M146-L150 HydrophobicContact CE-CD2 4.13Å; M146-L150 HydrophobicContact CE-CG 4.16Å; M146-L150 HydrophobicContact CG-CD1 4.4Å; M146-L150 WeakPolarHBondContact O-CG 3.28Å; M146-L150 PolarHBondContact O-N 2.73Å; M146-F190 HydrophobicContact CE-CE2 4.45Å; M146-F190 HydrophobicContact CE-CZ 4.21Å; M146-L309 HydrophobicContact CE-CD2 4.19Å; M146-L309 HydrophobicContact SD-CD1 3.95Å; M146-L309 HydrophobicContact SD-CD2 3.98Å; M146-L338 HydrophobicContact CE-CD1 4.25Å; M146-L338 HydrophobicContact CG-CD2 4.28Å; M146-L338 HydrophobicContact SD-CD1 3.89Å; M146-L338 HydrophobicContact SD-CD2 4.21Å; M146-L338 HydrophobicContact SD-CG 4.1Å
147	D	97.6	Very high	97.4	Very high	71 Å²	71	47.9 Å²	47.9	38%	0.38	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-31.6	173.3	-67.1	-73.9	0	0	0	113.8	R122 H143 D145 H151	R122-D147 IonicContact NH1-OD1 3.25Å; R122-D147 PolarHBondContact NH1-OD1 2.79Å; H143-D147 IonicContact CE1-OD2 3.76Å; D145-D147 PolarHBondContact O-N 3.5Å; D147-H151 WeakPolarHBondContact O-CB 3.27Å; D147-H151 PolarHBondContact O-N 3.48Å
148	Q	96.4	Very high	97.2	Very high	94 Å²	94	48 Å²	48	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-72.5	-37.6	176	-59.6	-178	23	0	0	110.8	D145 M146 H151 A152	D145-Q148 HydrophobicContact CB-CB 4.3Å; D145-Q148 HydrophobicContact CB-CG 4.03Å; D145-Q148 WeakPolarHBondContact O-CB 3.32Å; D145-Q148 PolarHBondContact O-N 3.04Å; D145-Q148 PolarHBondContact OD1-NE2 2.84Å; D145-Q148 PolarHBondContact OD2-NE2 2.83Å; M146-Q148 PolarHBondContact O-N 2.99Å; Q148-H151 PolarHBondContact O-N 3.15Å; Q148-A152 WeakPolarHBondContact O-CB 3.46Å; Q148-A152 PolarHBondContact O-N 3.27Å
149	V	98.3	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-48.6	173.5	178.8	0	0	0	0	110.4	D145 M146 H151 A152 Y153 F159 Q307 L309 A336	D145-V149 PolarHBondContact O-N 3.37Å; M146-V149 WeakPolarHBondContact O-CB 3.19Å; M146-V149 PolarHBondContact O-N 2.87Å; M146-V149 VanDerWaalsContact O-N 3.14Å; M146-V149 HydrophobicContact SD-CB 4.22Å; V149-H151 VanDerWaalsContact C-N 3.35Å; V149-H151 PolarHBondContact O-N 2.69Å; V149-A152 PolarHBondContact O-N 2.8Å; V149-Y153 WeakPolarHBondContact O-CB 3.46Å; V149-Y153 PolarHBondContact O-N 2.82Å; V149-F159 HydrophobicContact CG1-CD1 4.03Å; V149-F159 HydrophobicContact CG1-CD2 3.85Å; V149-F159 HydrophobicContact CG1-CE1 3.99Å; V149-F159 HydrophobicContact CG1-CE2 3.81Å; V149-F159 HydrophobicContact CG1-CG 3.96Å; V149-F159 HydrophobicContact CG1-CZ 3.87Å; V149-Q307 HydrophobicContact CG2-CG 3.98Å; V149-L309 HydrophobicContact CG1-CD2 4.25Å; V149-L309 HydrophobicContact CG2-CB 4.2Å; V149-L309 HydrophobicContact CG2-CD1 4.37Å; V149-A336 HydrophobicContact CG2-CB 3.38Å
150	L	98.1	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-43.3	177.6	-68.2	172.4	0	0	0	111.4	L119 R122 I123 A126 M146 A152 Y153 E154 F190	L119-L150 HydrophobicContact CD1-CD1 3.59Å; R122-L150 HydrophobicContact CB-CD1 4.29Å; R122-L150 HydrophobicContact CG-CD1 3.92Å; I123-L150 HydrophobicContact CG1-CD1 3.91Å; I123-L150 HydrophobicContact CG1-CD2 4.15Å; A126-L150 HydrophobicContact CB-CD2 4.01Å; M146-L150 HydrophobicContact CE-CD2 4.13Å; M146-L150 HydrophobicContact CE-CG 4.16Å; M146-L150 HydrophobicContact CG-CD1 4.4Å; M146-L150 WeakPolarHBondContact O-CG 3.28Å; M146-L150 PolarHBondContact O-N 2.73Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 3.16Å; L150-Y153 PolarHBondContact O-N 2.89Å; L150-E154 VanDerWaalsContact O-CB 3.3Å; L150-E154 WeakPolarHBondContact O-CB 3.48Å; L150-E154 WeakPolarHBondContact O-CG 3.35Å; L150-E154 PolarHBondContact O-N 2.94Å; L150-F190 HydrophobicContact CD2-CE1 4.11Å; L150-F190 HydrophobicContact CD2-CZ 4.04Å
151	H	96.8	Very high	97.2	Very high	107 Å²	107	46.1 Å²	46.1	50%	0.495	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-43.7	175.2	-178.3	74.6	0	0	0	111.9	D147 Q148 V149 N155	D147-H151 WeakPolarHBondContact O-CB 3.27Å; D147-H151 PolarHBondContact O-N 3.48Å; Q148-H151 PolarHBondContact O-N 3.15Å; V149-H151 VanDerWaalsContact C-N 3.35Å; V149-H151 PolarHBondContact O-N 2.69Å; H151-N155 PolarHBondContact CE1-ND2 2.86Å; H151-N155 VanDerWaalsContact CE1-ND2 3.26Å; H151-N155 PolarHBondContact ND1-ND2 3.29Å; H151-N155 WeakPolarHBondContact O-CB 3.39Å; H151-N155 PolarHBondContact O-N 2.91Å; H151-N155 VanDerWaalsContact O-N 3.15Å; H151-N155 PolarHBondContact O-ND2 3.42Å
152	A	94.7	Very high	97.3	Very high	12 Å²	12	46 Å²	46	10%	0.099	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-48	175.5	0	0	0	0	0	111.3	Q148 V149 L150 N155 K156 K157	Q148-A152 WeakPolarHBondContact O-CB 3.46Å; Q148-A152 PolarHBondContact O-N 3.27Å; V149-A152 PolarHBondContact O-N 2.8Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 3.16Å; A152-N155 CarbonylContact O-C 3.44Å; A152-N155 PolarHBondContact O-N 3.14Å; A152-K156 PolarHBondContact O-N 3.25Å; A152-K157 HydrophobicContact CB-CB 4.07Å; A152-K157 WeakPolarHBondContact O-CB 3.48Å; A152-K157 PolarHBondContact O-N 3.43Å
153	Y	96.9	Very high	97.3	Very high	58 Å²	58	46.2 Å²	46.2	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-46.4	-179.5	-177.7	-104.2	0	0	0	113	A126 V149 L150 N155 K156 F159 F190	A126-Y153 HydrophobicContact CB-CD1 4.23Å; A126-Y153 HydrophobicContact CB-CE1 4.38Å; A126-Y153 WeakPolarHBondContact O-CE1 3.18Å; V149-Y153 WeakPolarHBondContact O-CB 3.46Å; V149-Y153 PolarHBondContact O-N 2.82Å; L150-Y153 PolarHBondContact O-N 2.89Å; Y153-N155 PolarHBondContact O-N 3.42Å; Y153-K156 PolarHBondContact O-N 3Å; Y153-F159 HydrophobicContact CD2-CD1 4.42Å; Y153-F159 AromaticContact CD2-CE1 3.78Å; Y153-F159 HydrophobicContact CD2-CE1 3.78Å; Y153-F159 HydrophobicContact CG-CE1 4.24Å; Y153-F190 AromaticContact CD1-CD1 3.92Å; Y153-F190 HydrophobicContact CD1-CD1 3.92Å; Y153-F190 AromaticContact CD1-CE1 3.94Å; Y153-F190 HydrophobicContact CD1-CE1 3.94Å; Y153-F190 AromaticContact CD2-CD1 3.83Å; Y153-F190 HydrophobicContact CD2-CD1 3.83Å; Y153-F190 AromaticContact CE1-CD1 3.89Å; Y153-F190 HydrophobicContact CE1-CD1 3.89Å; Y153-F190 HydrophobicContact CE1-CE1 4.12Å; Y153-F190 HydrophobicContact CE2-CB 4.33Å; Y153-F190 AromaticContact CE2-CD1 3.78Å; Y153-F190 HydrophobicContact CE2-CD1 3.78Å; Y153-F190 WeakPolarHBondContact CE2-O 3.25Å; Y153-F190 AromaticContact CG-CD1 3.88Å; Y153-F190 HydrophobicContact CG-CD1 3.88Å; Y153-F190 HydrophobicContact CG-CE1 4.15Å; Y153-F190 AromaticContact CZ-CD1 3.8Å
154	E	96.5	Very high	97.2	Very high	81 Å²	81	47.2 Å²	47.2	38%	0.379	24%	0.236	S	C	.	.	H	α-helix	trans	-58.1	-35.1	175.6	-71.9	160.4	177.8	0	0	111.3	R122 L150 K156	R122-E154 IonicContact CZ-OE1 3.76Å; R122-E154 IonicContact CZ-OE2 2.72Å; R122-E154 IonicContact NE-OE1 3.73Å; R122-E154 PolarHBondContact NE-OE1 3.09Å; R122-E154 IonicContact NE-OE2 2.84Å; R122-E154 IonicContact NH2-OE1 3.65Å; R122-E154 PolarHBondContact NH2-OE1 3.03Å; R122-E154 IonicContact NH2-OE2 2.74Å; R122-E154 PolarHBondContact NH2-OE2 3.04Å; L150-E154 VanDerWaalsContact O-CB 3.3Å; L150-E154 WeakPolarHBondContact O-CB 3.48Å; L150-E154 WeakPolarHBondContact O-CG 3.35Å; L150-E154 PolarHBondContact O-N 2.94Å; E154-K156 VanDerWaalsContact C-N 3.31Å; E154-K156 PolarHBondContact O-N 2.97Å
155	N	96.1	Very high	97.2	Very high	90 Å²	90	47.4 Å²	47.4	48%	0.481	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	16.6	176.5	-72.3	-82.4	0	0	0	114	H151 A152 Y153 K157	H151-N155 PolarHBondContact CE1-ND2 2.86Å; H151-N155 VanDerWaalsContact CE1-ND2 3.26Å; H151-N155 PolarHBondContact ND1-ND2 3.29Å; H151-N155 WeakPolarHBondContact O-CB 3.39Å; H151-N155 PolarHBondContact O-N 2.91Å; H151-N155 VanDerWaalsContact O-N 3.15Å; H151-N155 PolarHBondContact O-ND2 3.42Å; A152-N155 CarbonylContact O-C 3.44Å; A152-N155 PolarHBondContact O-N 3.14Å; Y153-N155 PolarHBondContact O-N 3.42Å; N155-K157 PolarHBondContact O-N 3.11Å; N155-K157 VanDerWaalsContact O-N 3.15Å
156	K	94.8	Very high	97.1	Very high	182 Å²	182	46.1 Å²	46.1	79%	0.791	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	26.8	177.2	-48.4	-56.8	179.1	-173.2	0	114	A152 Y153 E154	A152-K156 PolarHBondContact O-N 3.25Å; Y153-K156 PolarHBondContact O-N 3Å; E154-K156 VanDerWaalsContact C-N 3.31Å; E154-K156 PolarHBondContact O-N 2.97Å
157	K	94.6	Very high	96.6	Very high	137 Å²	137	46.1 Å²	46.1	60%	0.596	23%	0.233	S	C	*	.			trans	-89.7	135.3	170.3	-65.6	-179.4	176.2	176.3	0	109.5	A152 N155	A152-K157 HydrophobicContact CB-CB 4.07Å; A152-K157 WeakPolarHBondContact O-CB 3.48Å; A152-K157 PolarHBondContact O-N 3.43Å; N155-K157 PolarHBondContact O-N 3.11Å; N155-K157 VanDerWaalsContact O-N 3.15Å
158	S	93.8	Very high	95.9	Very high	55 Å²	55	44.9 Å²	44.9	39%	0.385	23%	0.229	S	C	.	.			trans	-68.7	144.4	178.5	-48.9	0	0	0	0	111.8
159	F	98.1	Very high	95.3	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	169.1	165.2	75.8	-87.8	0	0	0	108.6	V149 Y153 L161 F190 V192 Q307 L309	V149-F159 HydrophobicContact CG1-CD1 4.03Å; V149-F159 HydrophobicContact CG1-CD2 3.85Å; V149-F159 HydrophobicContact CG1-CE1 3.99Å; V149-F159 HydrophobicContact CG1-CE2 3.81Å; V149-F159 HydrophobicContact CG1-CG 3.96Å; V149-F159 HydrophobicContact CG1-CZ 3.87Å; Y153-F159 HydrophobicContact CD2-CD1 4.42Å; Y153-F159 AromaticContact CD2-CE1 3.78Å; Y153-F159 HydrophobicContact CD2-CE1 3.78Å; Y153-F159 HydrophobicContact CG-CE1 4.24Å; F159-L161 HydrophobicContact CE2-CD2 4.32Å; F159-F190 HydrophobicContact CE1-CB 4.09Å; F159-F190 HydrophobicContact CE1-CD1 4Å; F159-F190 HydrophobicContact CE1-CG 4.14Å; F159-F190 HydrophobicContact CZ-CB 3.63Å; F159-F190 AromaticContact CZ-CD1 3.87Å; F159-F190 HydrophobicContact CZ-CD1 3.87Å; F159-F190 HydrophobicContact CZ-CD2 4.07Å; F159-F190 AromaticContact CZ-CG 3.6Å; F159-F190 HydrophobicContact CZ-CG 3.6Å; F159-V192 HydrophobicContact CD1-CG1 3.94Å; F159-V192 HydrophobicContact CD2-CG1 4.33Å; F159-V192 HydrophobicContact CE1-CG1 3.64Å; F159-V192 HydrophobicContact CE2-CB 4.45Å; F159-V192 HydrophobicContact CE2-CG1 4.06Å; F159-V192 HydrophobicContact CE2-CG2 4Å; F159-V192 HydrophobicContact CG-CG1 4.28Å; F159-V192 HydrophobicContact CZ-CB 4.49Å; F159-V192 HydrophobicContact CZ-CG1 3.71Å; F159-V192 HydrophobicContact CZ-CG2 4.13Å; F159-V192 WeakPolarHBondContact O-CG1 3.22Å; F159-Q307 CarbonylContact C-O 3.38Å; F159-Q307 WeakPolarHBondContact CA-O 2.92Å; F159-Q307 HydrophobicContact CB-CB 3.81Å; F159-Q307 HydrophobicContact CB-CG 4.22Å; F159-Q307 VanDerWaalsContact CB-O 3.28Å; F159-Q307 WeakPolarHBondContact CB-O 3.48Å; F159-L309 HydrophobicContact CD2-CB 4.2Å; F159-L309 HydrophobicContact CE2-CB 4.27Å; F159-L309 HydrophobicContact CE2-CD2 4.16Å
160	Y	98.8	Very high	94.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.9	175.2	75.7	-77.6	0	0	0	111.9	P193 V195 P290 S291 F292 S293 F300 I306 Q307 C308 L309	Y160-P193 WeakPolarHBondContact CA-O 3.34Å; Y160-V195 HydrophobicContact CD2-CG2 4.05Å; Y160-V195 HydrophobicContact CE2-CG2 3.8Å; Y160-P290 PolarHBondContact OH-O 3.49Å; Y160-S291 PolarHBondContact OH-O 3.33Å; Y160-S291 VanDerWaalsContact OH-O 3.12Å; Y160-F292 VanDerWaalsContact OH-C 3.23Å; Y160-F292 WeakPolarHBondContact OH-CA 3.45Å; Y160-F292 PolarHBondContact OH-N 3.13Å; Y160-F292 VanDerWaalsContact OH-N 3.08Å; Y160-S293 PolarHBondContact OH-N 3.08Å; Y160-F300 HydrophobicContact CD1-CE1 4.14Å; Y160-F300 AromaticContact CD1-CZ 3.82Å; Y160-F300 HydrophobicContact CD1-CZ 3.82Å; Y160-F300 HydrophobicContact CD2-CE2 4.35Å; Y160-F300 AromaticContact CD2-CZ 3.72Å; Y160-F300 HydrophobicContact CD2-CZ 3.72Å; Y160-F300 HydrophobicContact CE1-CZ 4.31Å; Y160-F300 HydrophobicContact CE2-CE2 4.44Å; Y160-F300 HydrophobicContact CE2-CZ 4.23Å; Y160-F300 HydrophobicContact CG-CE1 4.01Å; Y160-F300 HydrophobicContact CG-CE2 4.4Å; Y160-F300 AromaticContact CG-CZ 3.49Å; Y160-F300 HydrophobicContact CG-CZ 3.49Å; Y160-F300 VanDerWaalsContact CG-CZ 3.49Å; Y160-I306 HydrophobicContact CD1-CB 4.29Å; Y160-I306 HydrophobicContact CD1-CG2 3.9Å; Y160-Q307 VanDerWaalsContact CD1-O 3.26Å; Y160-Q307 WeakPolarHBondContact CD1-O 3.39Å; Y160-Q307 PolarHBondContact N-O 2.9Å; Y160-C308 HydrophobicContact CD1-CB 4.21Å; Y160-C308 HydrophobicContact CE1-CB 3.54Å; Y160-C308 HydrophobicContact CE2-CB 4.33Å; Y160-C308 WeakPolarHBondContact O-CA 3.41Å; Y160-L309 PolarHBondContact O-N 3.49Å
161	L	98.9	Very high	93.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.8	174	-64.9	168	0	0	0	110.3	F159 T183 L186 Q187 V192 P193 L194 V195 L309 P311	F159-L161 HydrophobicContact CE2-CD2 4.32Å; L161-T183 HydrophobicContact CD1-CG2 4.27Å; L161-L186 HydrophobicContact CD1-CB 3.77Å; L161-L186 HydrophobicContact CD2-CB 4.15Å; L161-L186 HydrophobicContact CD2-CD1 4.13Å; L161-Q187 HydrophobicContact CD1-CB 4Å; L161-V192 HydrophobicContact CD1-CG2 3.7Å; L161-V192 HydrophobicContact CG-CG2 3.77Å; L161-P193 PolarHBondContact N-O 3.48Å; L161-L194 HydrophobicContact CB-CB 4.29Å; L161-L194 HydrophobicContact CB-CD1 3.52Å; L161-L194 HydrophobicContact CB-CG 4.48Å; L161-L194 WeakPolarHBondContact O-CA 3.16Å; L161-V195 PolarHBondContact O-N 3.28Å; L161-L309 WeakPolarHBondContact CA-O 3.27Å; L161-L309 HydrophobicContact CD2-CB 4.04Å; L161-L309 HydrophobicContact CD2-CD2 3.8Å; L161-L309 HydrophobicContact CD2-CG 3.94Å; L161-P311 HydrophobicContact CD2-CG 4.16Å
162	Y	98.9	Very high	93.7	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.6	167.8	162.7	-135.1	0	0	0	109.4	V195 Q197 Q287 P290 L309 I310 P311 F320	Y162-V195 WeakPolarHBondContact CA-O 3.49Å; Y162-V195 HydrophobicContact CD2-CG2 3.95Å; Y162-V195 HydrophobicContact CG-CG2 4.16Å; Y162-Q197 HydrophobicContact CE2-CB 3.77Å; Y162-Q197 PolarHBondContact OH-OE1 3.3Å; Y162-Q287 PolarHBondContact OH-O 2.94Å; Y162-Q287 VanDerWaalsContact OH-O 3.05Å; Y162-P290 HydrophobicContact CD1-CB 3.86Å; Y162-P290 HydrophobicContact CD2-CB 3.73Å; Y162-P290 HydrophobicContact CE1-CB 3.65Å; Y162-P290 HydrophobicContact CE1-CG 4.2Å; Y162-P290 HydrophobicContact CE2-CB 3.52Å; Y162-P290 HydrophobicContact CE2-CG 3.92Å; Y162-P290 HydrophobicContact CG-CB 3.93Å; Y162-L309 PolarHBondContact N-O 3.02Å; Y162-I310 HydrophobicContact CD1-CD1 3.64Å; Y162-I310 HydrophobicContact CD1-CG1 3.79Å; Y162-I310 HydrophobicContact CD1-CG2 4.43Å; Y162-I310 HydrophobicContact CE1-CD1 4.04Å; Y162-I310 HydrophobicContact CG-CG1 4.47Å; Y162-I310 VanDerWaalsContact O-CA 3.28Å; Y162-I310 WeakPolarHBondContact O-CA 3.45Å; Y162-I310 WeakPolarHBondContact O-CG2 3.34Å; Y162-P311 VanDerWaalsContact O-CD 3.25Å; Y162-P311 WeakPolarHBondContact O-CD 3.22Å; Y162-F320 AromaticContact CE1-CE1 3.65Å; Y162-F320 HydrophobicContact CE1-CE1 3.65Å; Y162-F320 AromaticContact CE1-CZ 3.84Å; Y162-F320 HydrophobicContact CE1-CZ 3.84Å
163	T	98.8	Very high	93.7	Very high	5 Å²	5	42 Å²	42	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	176.8	165.8	-163.8	0	0	0	0	109.4	F180 T183 L194 V195 I196 Q197 P311	T163-F180 HydrophobicContact CG2-CD1 4.18Å; T163-F180 HydrophobicContact CG2-CE1 3.77Å; T163-T183 HydrophobicContact CG2-CG2 4.09Å; T163-L194 HydrophobicContact CG2-CD1 4.49Å; T163-V195 PolarHBondContact N-O 3.42Å; T163-I196 HydrophobicContact CG2-CG1 4.26Å; T163-I196 HydrophobicContact CG2-CG2 4.45Å; T163-I196 VanDerWaalsContact O-CA 3.31Å; T163-I196 WeakPolarHBondContact O-CA 3.49Å; T163-Q197 PolarHBondContact O-N 2.84Å; T163-P311 PolarHBondContact OG1-O 3.28Å
164	G	98.4	Very high	93.6	Very high	34 Å²	34	39.2 Å²	39.2	35%	0.351	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	167	-175.5	0	0	0	0	0	114.4	Q197	G164-Q197 CarbonylContact C-O 3.49Å; G164-Q197 WeakPolarHBondContact CA-O 3.48Å
165	R	97.9	Very high	93.6	Very high	28 Å²	28	35.9 Å²	35.9	11%	0.106	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	125.1	176.4	167.8	61.9	-177.9	160.5	1.6	109.7	P167 H176 F180 Q197 L198 T199 N221 I225	R165-P167 VanDerWaalsContact O-CD 3.28Å; R165-P167 WeakPolarHBondContact O-CD 3.31Å; R165-H176 VanDerWaalsContact CZ-CE1 3.4Å; R165-H176 PolarHBondContact NH1-CD2 3.04Å; R165-H176 PolarHBondContact NH1-CE1 3.47Å; R165-H176 VanDerWaalsContact NH1-CE1 3.27Å; R165-H176 PolarHBondContact NH1-NE2 2.88Å; R165-H176 PolarHBondContact NH2-CE1 3.2Å; R165-F180 HydrophobicContact CB-CE2 4.37Å; R165-F180 HydrophobicContact CB-CZ 3.95Å; R165-Q197 PolarHBondContact N-O 3.25Å; R165-L198 HydrophobicContact CB-CD2 3.94Å; R165-L198 HydrophobicContact CG-CD2 4.31Å; R165-L198 WeakPolarHBondContact O-CA 3.38Å; R165-T199 PolarHBondContact O-N 3.34Å; R165-T199 VanDerWaalsContact O-N 3.15Å; R165-N221 HydrophobicContact CG-CB 4.47Å; R165-N221 PolarHBondContact NE-OD1 2.79Å; R165-N221 VanDerWaalsContact NE-OD1 3.11Å; R165-I225 HydrophobicContact CB-CD1 4.2Å; R165-I225 HydrophobicContact CG-CD1 4.48Å
166	G	95.7	Very high	93.6	Very high	11 Å²	11	33.1 Å²	33.1	11%	0.113	18%	0.181	C	C	.	.			trans	-84.5	108.4	164.9	0	0	0	0	0	112.2	S168 T199 K203	G166-S168 PolarHBondContact O-N 3.26Å; G166-T199 WeakPolarHBondContact CA-OG1 3.35Å; G166-K203 VanDerWaalsContact O-CE 3.27Å; G166-K203 WeakPolarHBondContact O-CE 3.45Å
167	P	88.9	Confident	93.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.144	C	C	.	.			trans	-79.9	89.1	-170.2	33.5	-35.8	0	0	0	112.1	R165 D200 K203 A218 N221	R165-P167 VanDerWaalsContact O-CD 3.28Å; R165-P167 WeakPolarHBondContact O-CD 3.31Å; P167-D200 HydrophobicContact CG-CB 4.27Å; P167-K203 HydrophobicContact CG-CG 4.39Å; P167-A218 HydrophobicContact CG-CB 4.13Å; P167-N221 HydrophobicContact CB-CB 4.2Å
168	S	81.8	Confident	93.8	Very high	44 Å²	44	18.3 Å²	18.3	31%	0.308	12%	0.117	S	C	.	.			trans	-86.5	-12.4	-176.3	60.4	0	0	0	0	115.5	G166	G166-S168 PolarHBondContact O-N 3.26Å
169	S	85.6	Confident	94	Very high	29 Å²	29	16.7 Å²	16.7	20%	0.203	11%	0.105	C	C	.	.	S	Bend	trans	-159.8	163.5	-174.2	52.8	0	0	0	0	109.7	A171 N221	S169-A171 VanDerWaalsContact C-N 3.29Å; S169-A171 PolarHBondContact O-N 3.41Å; S169-A171 PolarHBondContact OG-O 3.48Å; S169-N221 PolarHBondContact O-ND2 3.48Å
170	Q	81.3	Confident	94.1	Very high	102 Å²	102	16.8 Å²	16.8	48%	0.477	11%	0.105	S	C	.	.	S	Bend	trans	-62.9	-31.8	179.5	-68.8	-177.6	-29.5	0	0	113.9	E216 Y217	Q170-E216 PolarHBondContact NE2-OE1 3.49Å; Q170-Y217 HydrophobicContact CG-CD1 3.77Å; Q170-Y217 HydrophobicContact CG-CE1 3.54Å
171	A	82.3	Confident	94	Very high	16 Å²	16	18.5 Å²	18.5	13%	0.132	11%	0.114	C	C	.	.	S	Bend	trans	-117.4	140.6	-177.2	0	0	0	0	0	112	S169 T365	S169-A171 VanDerWaalsContact C-N 3.29Å; S169-A171 PolarHBondContact O-N 3.41Å; S169-A171 PolarHBondContact OG-O 3.48Å; A171-T365 HydrophobicContact CB-CG2 3.74Å
172	M	94.4	Very high	94	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.114	C	C	.	.			trans	-78.9	164.3	166.6	-69.5	168.5	63.4	0	0	111.7	H176 F180 N221 D224 I225 L364	M172-H176 HydrophobicContact CB-CB 4.26Å; M172-H176 HydrophobicContact CE-CB 3.41Å; M172-H176 VanDerWaalsContact CE-CB 3.41Å; M172-H176 HydrophobicContact CG-CB 4.44Å; M172-F180 HydrophobicContact CE-CD2 3.57Å; M172-F180 HydrophobicContact CE-CE2 3.53Å; M172-N221 WeakPolarHBondContact CG-OD1 3.23Å; M172-D224 HydrophobicContact CG-CB 4.2Å; M172-D224 PolarHBondContact N-OD2 2.82Å; M172-D224 VanDerWaalsContact N-OD2 3.15Å; M172-D224 HydrophobicContact SD-CB 3.41Å; M172-D224 WeakPolarHBondContact SD-CB 3.28Å; M172-I225 HydrophobicContact CE-CG1 4.4Å; M172-I225 HydrophobicContact SD-CG1 4.12Å; M172-L364 HydrophobicContact CB-CD1 3.71Å; M172-L364 HydrophobicContact CB-CG 4.25Å; M172-L364 WeakPolarHBondContact O-CG 3.49Å; M172-L364 PolarHBondContact O-N 3.2Å
173	H	94.8	Very high	94	Very high	5 Å²	5	18.3 Å²	18.3	2%	0.023	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-115.2	167.8	169.3	54.5	63	0	0	0	111.3	G175 H176 M353 A355 I362 F363	H173-G175 PolarHBondContact ND1-N 3.44Å; H173-G175 PolarHBondContact O-N 2.77Å; H173-G175 VanDerWaalsContact O-N 3.13Å; H173-H176 AromaticContact CD2-CE1 3.36Å; H173-H176 PolarHBondContact CD2-CE1 3.06Å; H173-H176 AromaticContact CD2-ND1 3.9Å; H173-H176 AromaticContact CD2-NE2 3.95Å; H173-H176 AromaticContact CE1-CD2 3.47Å; H173-H176 PolarHBondContact CE1-CD2 2.64Å; H173-H176 VanDerWaalsContact CE1-CD2 3.47Å; H173-H176 AromaticContact CE1-CE1 3.27Å; H173-H176 PolarHBondContact CE1-CE1 3.4Å; H173-H176 AromaticContact CE1-CG 3.76Å; H173-H176 AromaticContact CE1-ND1 3.68Å; H173-H176 AromaticContact CE1-NE2 3.16Å; H173-H176 PolarHBondContact CE1-NE2 3.45Å; H173-H176 AromaticContact CG-CE1 3.68Å; H173-H176 AromaticContact CG-ND1 3.75Å; H173-H176 PolarHBondContact N-ND1 2.98Å; H173-H176 VanDerWaalsContact N-ND1 3.19Å; H173-H176 AromaticContact ND1-CD2 3.96Å; H173-H176 AromaticContact ND1-CE1 3.63Å; H173-H176 AromaticContact ND1-CG 3.78Å; H173-H176 AromaticContact ND1-ND1 3.61Å; H173-H176 AromaticContact ND1-NE2 3.88Å; H173-H176 AromaticContact NE2-CD2 3.97Å; H173-H176 AromaticContact NE2-CE1 3.08Å; H173-H176 PolarHBondContact NE2-CE1 3.15Å; H173-H176 AromaticContact NE2-ND1 3.85Å; H173-H176 AromaticContact NE2-NE2 3.18Å; H173-H176 PolarHBondContact NE2-NE2 3.07Å; H173-H176 VanDerWaalsContact NE2-NE2 3.18Å; H173-H176 WeakPolarHBondContact O-CB 3.25Å; H173-H176 PolarHBondContact O-N 2.68Å; H173-M353 HydrophobicContact CB-SD 3.77Å; H173-M353 PolarHBondContact CE1-O 3.2Å; H173-A355 PolarHBondContact NE2-N 3.1Å; H173-I362 CarbonylContact C-O 3.59Å; H173-I362 VanDerWaalsContact CA-O 3.27Å; H173-I362 WeakPolarHBondContact CA-O 3.38Å; H173-I362 WeakPolarHBondContact CB-O 3.26Å; H173-F363 HydrophobicContact CB-CD1 4.07Å; H173-F363 HydrophobicContact CB-CE1 4.47Å
174	V	96.3	Very high	94	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.7	-31.1	-175.8	-65.3	0	0	0	0	113.7	H176 L177 F343 M353 I362 L364 F409 I445	V174-H176 PolarHBondContact O-N 2.87Å; V174-L177 WeakPolarHBondContact O-CB 3.42Å; V174-L177 PolarHBondContact O-N 3.2Å; V174-F343 HydrophobicContact CG2-CD1 4.26Å; V174-F343 HydrophobicContact CG2-CE1 3.5Å; V174-F343 VanDerWaalsContact CG2-CE1 3.5Å; V174-F343 HydrophobicContact CG2-CZ 3.94Å; V174-M353 HydrophobicContact CG2-CE 3.89Å; V174-M353 HydrophobicContact CG2-SD 3.77Å; V174-I362 HydrophobicContact CG1-CB 4.33Å; V174-I362 HydrophobicContact CG1-CG2 4.22Å; V174-I362 HydrophobicContact CG2-CB 4.05Å; V174-I362 PolarHBondContact N-O 3.33Å; V174-L364 HydrophobicContact CG1-CD2 4.11Å; V174-F409 HydrophobicContact CB-CE2 4.31Å; V174-F409 HydrophobicContact CB-CZ 4.08Å; V174-I445 HydrophobicContact CG1-CD1 3.84Å; V174-I445 HydrophobicContact CG1-CG1 4.15Å
175	G	94.9	Very high	94.1	Very high	11 Å²	11	20.2 Å²	20.2	11%	0.113	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-31.8	173.8	0	0	0	0	0	113.8	H173 L177 I178	H173-G175 PolarHBondContact ND1-N 3.44Å; H173-G175 PolarHBondContact O-N 2.77Å; H173-G175 VanDerWaalsContact O-N 3.13Å; G175-L177 VanDerWaalsContact C-N 3.27Å; G175-L177 PolarHBondContact O-N 3.28Å; G175-I178 WeakPolarHBondContact O-CG1 3.11Å; G175-I178 PolarHBondContact O-N 2.71Å
176	H	95.8	Very high	94.1	Very high	32 Å²	32	19 Å²	19	15%	0.148	11%	0.106	C	C	.	.	H	α-helix	trans	-72.4	-21.7	175.8	-56.7	138.1	0	0	0	112.5	R165 M172 H173 V174 I178 P179 F180	R165-H176 VanDerWaalsContact CZ-CE1 3.4Å; R165-H176 PolarHBondContact NH1-CD2 3.04Å; R165-H176 PolarHBondContact NH1-CE1 3.47Å; R165-H176 VanDerWaalsContact NH1-CE1 3.27Å; R165-H176 PolarHBondContact NH1-NE2 2.88Å; R165-H176 PolarHBondContact NH2-CE1 3.2Å; M172-H176 HydrophobicContact CB-CB 4.26Å; M172-H176 HydrophobicContact CE-CB 3.41Å; M172-H176 VanDerWaalsContact CE-CB 3.41Å; M172-H176 HydrophobicContact CG-CB 4.44Å; H173-H176 AromaticContact CD2-CE1 3.36Å; H173-H176 PolarHBondContact CD2-CE1 3.06Å; H173-H176 AromaticContact CD2-ND1 3.9Å; H173-H176 AromaticContact CD2-NE2 3.95Å; H173-H176 AromaticContact CE1-CD2 3.47Å; H173-H176 PolarHBondContact CE1-CD2 2.64Å; H173-H176 VanDerWaalsContact CE1-CD2 3.47Å; H173-H176 AromaticContact CE1-CE1 3.27Å; H173-H176 PolarHBondContact CE1-CE1 3.4Å; H173-H176 AromaticContact CE1-CG 3.76Å; H173-H176 AromaticContact CE1-ND1 3.68Å; H173-H176 AromaticContact CE1-NE2 3.16Å; H173-H176 PolarHBondContact CE1-NE2 3.45Å; H173-H176 AromaticContact CG-CE1 3.68Å; H173-H176 AromaticContact CG-ND1 3.75Å; H173-H176 PolarHBondContact N-ND1 2.98Å; H173-H176 VanDerWaalsContact N-ND1 3.19Å; H173-H176 AromaticContact ND1-CD2 3.96Å; H173-H176 AromaticContact ND1-CE1 3.63Å; H173-H176 AromaticContact ND1-CG 3.78Å; H173-H176 AromaticContact ND1-ND1 3.61Å; H173-H176 AromaticContact ND1-NE2 3.88Å; H173-H176 AromaticContact NE2-CD2 3.97Å; H173-H176 AromaticContact NE2-CE1 3.08Å; H173-H176 PolarHBondContact NE2-CE1 3.15Å; H173-H176 AromaticContact NE2-ND1 3.85Å; H173-H176 AromaticContact NE2-NE2 3.18Å; H173-H176 PolarHBondContact NE2-NE2 3.07Å; H173-H176 VanDerWaalsContact NE2-NE2 3.18Å; H173-H176 WeakPolarHBondContact O-CB 3.25Å; H173-H176 PolarHBondContact O-N 2.68Å; V174-H176 PolarHBondContact O-N 2.87Å; H176-I178 PolarHBondContact O-N 3.42Å; H176-P179 WeakPolarHBondContact O-CD 3.18Å; H176-P179 WeakPolarHBondContact O-CG 3.26Å; H176-F180 WeakPolarHBondContact O-CD2 3.3Å
177	L	97.2	Very high	94.3	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-67.3	-23.7	177.9	-65	-178.8	0	0	0	112.4	V174 G175 F180 I181 L364 L444	V174-L177 WeakPolarHBondContact O-CB 3.42Å; V174-L177 PolarHBondContact O-N 3.2Å; G175-L177 VanDerWaalsContact C-N 3.27Å; G175-L177 PolarHBondContact O-N 3.28Å; L177-F180 PolarHBondContact O-N 2.94Å; L177-I181 HydrophobicContact CB-CD1 3.8Å; L177-I181 HydrophobicContact CB-CG1 4.23Å; L177-I181 VanDerWaalsContact O-CB 3.28Å; L177-I181 WeakPolarHBondContact O-CB 3.4Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.28Å; L177-I181 PolarHBondContact O-N 3.48Å; L177-L364 HydrophobicContact CD1-CD2 3.62Å; L177-L364 HydrophobicContact CD2-CD1 3.74Å; L177-L364 HydrophobicContact CD2-CD2 4.22Å; L177-L364 HydrophobicContact CG-CD1 4.23Å; L177-L364 HydrophobicContact CG-CD2 3.9Å; L177-L444 HydrophobicContact CD1-CD2 4.4Å
178	I	98	Very high	94.7	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-57.8	-57.2	-174.9	-54.4	-49.1	0	0	0	112.3	F134 I139 F140 G175 H176 F180 F182 F343 F408 F409	F134-I178 HydrophobicContact CD2-CG2 4.45Å; F134-I178 HydrophobicContact CE2-CG2 4.01Å; F134-I178 WeakPolarHBondContact CE2-O 3.4Å; F134-I178 HydrophobicContact CZ-CD1 3.94Å; F134-I178 HydrophobicContact CZ-CG2 4.25Å; I139-I178 HydrophobicContact CG2-CG2 4.03Å; F140-I178 HydrophobicContact CE2-CG2 4.39Å; G175-I178 WeakPolarHBondContact O-CG1 3.11Å; G175-I178 PolarHBondContact O-N 2.71Å; H176-I178 PolarHBondContact O-N 3.42Å; I178-F180 VanDerWaalsContact C-N 3.34Å; I178-F180 PolarHBondContact O-N 3.3Å; I178-F182 PolarHBondContact O-N 3.01Å; I178-F343 HydrophobicContact CD1-CD2 4.13Å; I178-F343 HydrophobicContact CG1-CB 4.35Å; I178-F343 HydrophobicContact CG1-CD2 4.06Å; I178-F343 HydrophobicContact CG1-CG 4.47Å; I178-F408 HydrophobicContact CD1-CB 4.07Å; I178-F408 HydrophobicContact CD1-CD1 3.55Å; I178-F408 HydrophobicContact CD1-CE1 4.35Å; I178-F408 HydrophobicContact CD1-CG 4.11Å; I178-F408 HydrophobicContact CG1-CD1 3.98Å; I178-F408 HydrophobicContact CG1-CE1 4.3Å; I178-F408 HydrophobicContact CG2-CD1 4.3Å; I178-F408 HydrophobicContact CG2-CE1 4.35Å; I178-F409 HydrophobicContact CD1-CE1 3.9Å; I178-F409 HydrophobicContact CD1-CE2 4.47Å; I178-F409 HydrophobicContact CD1-CZ 3.65Å
179	P	97.9	Very high	95.5	Very high	22 Å²	22	22.3 Å²	22.3	14%	0.143	12%	0.115	C	C	.	.	H	α-helix	trans	-63.5	-36.8	176.3	24	-34.5	0	0	0	112.9	H176 F182 T183	H176-P179 WeakPolarHBondContact O-CD 3.18Å; H176-P179 WeakPolarHBondContact O-CG 3.26Å; P179-F182 PolarHBondContact O-N 3.47Å; P179-T183 VanDerWaalsContact O-CB 3.3Å; P179-T183 WeakPolarHBondContact O-CB 3.31Å; P179-T183 PolarHBondContact O-N 3.47Å; P179-T183 PolarHBondContact O-OG1 2.77Å
180	F	98.7	Very high	96.1	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.013	11%	0.106	C	C	.	.	H	α-helix	trans	-73	-41.6	-177.6	-71.9	-63.1	0	0	0	113.7	T163 R165 M172 H176 L177 I178 F182 T183 K184 I196 I225 F230	T163-F180 HydrophobicContact CG2-CD1 4.18Å; T163-F180 HydrophobicContact CG2-CE1 3.77Å; R165-F180 HydrophobicContact CB-CE2 4.37Å; R165-F180 HydrophobicContact CB-CZ 3.95Å; M172-F180 HydrophobicContact CE-CD2 3.57Å; M172-F180 HydrophobicContact CE-CE2 3.53Å; H176-F180 WeakPolarHBondContact O-CD2 3.3Å; L177-F180 PolarHBondContact O-N 2.94Å; I178-F180 VanDerWaalsContact C-N 3.34Å; I178-F180 PolarHBondContact O-N 3.3Å; F180-F182 VanDerWaalsContact C-N 3.27Å; F180-F182 PolarHBondContact O-N 2.85Å; F180-T183 PolarHBondContact O-N 2.96Å; F180-K184 VanDerWaalsContact O-CB 3.31Å; F180-K184 WeakPolarHBondContact O-CB 3.28Å; F180-K184 PolarHBondContact O-N 3.27Å; F180-I196 HydrophobicContact CE1-CD1 4.25Å; F180-I196 HydrophobicContact CE1-CG2 3.98Å; F180-I196 HydrophobicContact CZ-CG2 4.46Å; F180-I225 HydrophobicContact CD1-CG1 4.42Å; F180-I225 HydrophobicContact CD1-CG2 4.23Å; F180-I225 HydrophobicContact CD2-CG1 4.42Å; F180-I225 HydrophobicContact CE1-CD1 4.09Å; F180-I225 HydrophobicContact CE1-CG1 3.97Å; F180-I225 HydrophobicContact CE1-CG2 4.08Å; F180-I225 HydrophobicContact CE2-CD1 4.29Å; F180-I225 HydrophobicContact CE2-CG1 3.99Å; F180-I225 HydrophobicContact CZ-CD1 3.71Å; F180-I225 HydrophobicContact CZ-CG1 3.75Å; F180-F230 HydrophobicContact CB-CE2 4.31Å; F180-F230 HydrophobicContact CB-CZ 4.24Å; F180-F230 AromaticContact CD1-CE2 3.92Å; F180-F230 HydrophobicContact CD1-CE2 3.92Å; F180-F230 AromaticContact CD1-CZ 3.91Å; F180-F230 HydrophobicContact CD1-CZ 3.91Å; F180-F230 WeakPolarHBondContact O-CZ 3.49Å
181	I	98.7	Very high	96.9	Very high	35 Å²	35	20.4 Å²	20.4	18%	0.179	11%	0.106	C	C	.	.	H	α-helix	trans	-58.1	-45.4	173.2	-73.1	170.5	0	0	0	109.5	F134 L177 K184 W185 F409	F134-I181 HydrophobicContact CE2-CB 4.26Å; F134-I181 HydrophobicContact CE2-CG2 4Å; F134-I181 HydrophobicContact CZ-CG2 4.33Å; L177-I181 HydrophobicContact CB-CD1 3.8Å; L177-I181 HydrophobicContact CB-CG1 4.23Å; L177-I181 VanDerWaalsContact O-CB 3.28Å; L177-I181 WeakPolarHBondContact O-CB 3.4Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.28Å; L177-I181 PolarHBondContact O-N 3.48Å; I181-K184 PolarHBondContact O-N 2.98Å; I181-W185 PolarHBondContact O-N 2.91Å; I181-F409 HydrophobicContact CD1-CE1 4.28Å
182	F	98.9	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-68.2	-41.7	-179.9	-166.3	-120.4	0	0	0	112.5	H132 F134 L135 F140 I178 P179 F180 K184 W185 L186 P311 L338	H132-F182 HydrophobicContact CB-CD2 4.12Å; H132-F182 HydrophobicContact CB-CE2 3.87Å; H132-F182 AromaticContact CG-CD2 4Å; H132-F182 AromaticContact ND1-CD2 3.81Å; F134-F182 HydrophobicContact CB-CD2 4.26Å; F134-F182 HydrophobicContact CD2-CB 3.91Å; F134-F182 HydrophobicContact CD2-CD2 4Å; F134-F182 HydrophobicContact CD2-CG 4.23Å; F134-F182 HydrophobicContact CE2-CB 4.29Å; L135-F182 HydrophobicContact CD1-CE2 4.21Å; L135-F182 HydrophobicContact CD1-CZ 4.14Å; L135-F182 HydrophobicContact CD2-CE2 4.47Å; L135-F182 HydrophobicContact CD2-CZ 3.95Å; L135-F182 HydrophobicContact CG-CE2 3.94Å; L135-F182 HydrophobicContact CG-CZ 3.89Å; F140-F182 HydrophobicContact CB-CE1 4.26Å; F140-F182 HydrophobicContact CB-CZ 4.28Å; F140-F182 AromaticContact CD1-CD1 3.76Å; F140-F182 HydrophobicContact CD1-CD1 3.76Å; F140-F182 AromaticContact CD1-CE1 3.6Å; F140-F182 HydrophobicContact CD1-CE1 3.6Å; F140-F182 HydrophobicContact CD1-CZ 4.43Å; F140-F182 HydrophobicContact CD2-CB 4.17Å; F140-F182 AromaticContact CD2-CD1 3.56Å; F140-F182 HydrophobicContact CD2-CD1 3.56Å; F140-F182 HydrophobicContact CD2-CD2 4.07Å; F140-F182 AromaticContact CD2-CE1 3.85Å; F140-F182 HydrophobicContact CD2-CE1 3.85Å; F140-F182 HydrophobicContact CD2-CE2 4.36Å; F140-F182 AromaticContact CD2-CG 3.66Å; F140-F182 HydrophobicContact CD2-CG 3.66Å; F140-F182 HydrophobicContact CD2-CZ 4.25Å; F140-F182 AromaticContact CE1-CD1 3.5Å; F140-F182 HydrophobicContact CE1-CD1 3.5Å; F140-F182 VanDerWaalsContact CE1-CD1 3.5Å; F140-F182 AromaticContact CE1-CE1 3.79Å; F140-F182 HydrophobicContact CE1-CE1 3.79Å; F140-F182 HydrophobicContact CE1-CG 4.41Å; F140-F182 HydrophobicContact CE2-CB 3.43Å; F140-F182 VanDerWaalsContact CE2-CB 3.43Å; F140-F182 AromaticContact CE2-CD1 3.29Å; F140-F182 HydrophobicContact CE2-CD1 3.29Å; F140-F182 HydrophobicContact CE2-CD2 4.19Å; F140-F182 HydrophobicContact CE2-CE1 4.04Å; F140-F182 AromaticContact CE2-CG 3.36Å; F140-F182 HydrophobicContact CE2-CG 3.36Å; F140-F182 AromaticContact CG-CD1 3.77Å; F140-F182 HydrophobicContact CG-CD1 3.77Å; F140-F182 AromaticContact CG-CE1 3.62Å; F140-F182 HydrophobicContact CG-CE1 3.62Å; F140-F182 HydrophobicContact CG-CG 4.3Å; F140-F182 HydrophobicContact CG-CZ 4.06Å; F140-F182 HydrophobicContact CZ-CB 3.83Å; F140-F182 AromaticContact CZ-CD1 3.25Å; F140-F182 HydrophobicContact CZ-CD1 3.25Å; F140-F182 HydrophobicContact CZ-CE1 4Å; F140-F182 AromaticContact CZ-CG 3.78Å; F140-F182 HydrophobicContact CZ-CG 3.78Å; I178-F182 PolarHBondContact O-N 3.01Å; P179-F182 PolarHBondContact O-N 3.47Å; F180-F182 VanDerWaalsContact C-N 3.27Å; F180-F182 PolarHBondContact O-N 2.85Å; F182-K184 VanDerWaalsContact C-N 3.33Å; F182-K184 PolarHBondContact O-N 3.5Å; F182-W185 AromaticContact CD2-CE3 3.95Å; F182-W185 HydrophobicContact CD2-CE3 3.95Å; F182-W185 HydrophobicContact CD2-CZ3 4.45Å; F182-W185 AromaticContact CE2-CE3 3.57Å; F182-W185 HydrophobicContact CE2-CE3 3.57Å; F182-W185 AromaticContact CE2-CZ3 3.62Å; F182-W185 HydrophobicContact CE2-CZ3 3.62Å; F182-W185 HydrophobicContact CZ-CE3 4.26Å; F182-W185 HydrophobicContact CZ-CZ3 4.03Å; F182-W185 WeakPolarHBondContact O-CB 3.1Å; F182-W185 PolarHBondContact O-N 3.1Å; F182-L186 HydrophobicContact CD1-CD1 3.78Å; F182-L186 HydrophobicContact CD1-CG 4.29Å; F182-L186 HydrophobicContact CE1-CD1 3.66Å; F182-L186 HydrophobicContact CE1-CD2 4.4Å; F182-L186 HydrophobicContact CE1-CG 4.12Å; F182-L186 HydrophobicContact CZ-CD1 4.32Å; F182-L186 HydrophobicContact CZ-CD2 4.27Å; F182-L186 HydrophobicContact CZ-CG 4.33Å; F182-L186 WeakPolarHBondContact O-CG 3.49Å; F182-L186 PolarHBondContact O-N 3.34Å; F182-P311 HydrophobicContact CD1-CB 4.26Å; F182-L338 HydrophobicContact CE1-CB 4.34Å; F182-L338 HydrophobicContact CE1-CD1 3.84Å; F182-L338 HydrophobicContact CZ-CD1 4.31Å
183	T	98.9	Very high	97.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-39.3	177.1	-56.6	0	0	0	0	111.4	L161 T163 P179 F180 L186 Q187 L194 F230 P311	L161-T183 HydrophobicContact CD1-CG2 4.27Å; T163-T183 HydrophobicContact CG2-CG2 4.09Å; P179-T183 VanDerWaalsContact O-CB 3.3Å; P179-T183 WeakPolarHBondContact O-CB 3.31Å; P179-T183 PolarHBondContact O-N 3.47Å; P179-T183 PolarHBondContact O-OG1 2.77Å; F180-T183 PolarHBondContact O-N 2.96Å; T183-L186 PolarHBondContact O-N 3.07Å; T183-Q187 WeakPolarHBondContact O-CB 3.46Å; T183-Q187 PolarHBondContact O-N 2.81Å; T183-L194 HydrophobicContact CG2-CD1 3.57Å; T183-L194 HydrophobicContact CG2-CD2 3.79Å; T183-L194 HydrophobicContact CG2-CG 4.35Å; T183-F230 HydrophobicContact CG2-CE1 4.06Å; T183-F230 HydrophobicContact CG2-CZ 4.42Å; T183-P311 HydrophobicContact CG2-CG 4.4Å
184	K	98.8	Very high	98	Very high	53 Å²	53	19.9 Å²	19.9	23%	0.23	10%	0.101	C	C	.	.	H	α-helix	trans	-62.5	-45.2	174.6	-177.6	-93	-176.6	-169.2	0	110.9	F180 I181 F182 Q187 E188 F230	F180-K184 VanDerWaalsContact O-CB 3.31Å; F180-K184 WeakPolarHBondContact O-CB 3.28Å; F180-K184 PolarHBondContact O-N 3.27Å; I181-K184 PolarHBondContact O-N 2.98Å; F182-K184 VanDerWaalsContact C-N 3.33Å; F182-K184 PolarHBondContact O-N 3.5Å; K184-Q187 PolarHBondContact O-N 3.35Å; K184-E188 WeakPolarHBondContact CE-OE1 3.44Å; K184-E188 WeakPolarHBondContact CE-OE2 3.17Å; K184-E188 IonicContact NZ-OE1 2.78Å; K184-E188 PolarHBondContact NZ-OE1 3.43Å; K184-E188 IonicContact NZ-OE2 3.7Å; K184-E188 PolarHBondContact NZ-OE2 3.22Å; K184-E188 WeakPolarHBondContact O-CG 3.31Å; K184-E188 PolarHBondContact O-N 3.4Å; K184-E188 VanDerWaalsContact O-N 3.09Å; K184-F230 VanDerWaalsContact CA-CE1 3.44Å; K184-F230 HydrophobicContact CB-CD1 4.01Å; K184-F230 HydrophobicContact CB-CE1 3.59Å; K184-F230 HydrophobicContact CB-CZ 3.94Å; K184-F230 HydrophobicContact CG-CD1 4.31Å; K184-F230 HydrophobicContact CG-CE1 4.37Å
185	W	98.8	Very high	98.2	Very high	26 Å²	26	19.9 Å²	19.9	10%	0.098	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-48.5	173.2	175.7	79.6	0	0	0	111.4	I123 I127 H132 L135 I181 F182 Q187 E188 V189	I123-W185 HydrophobicContact CG2-CH2 4.23Å; I127-W185 HydrophobicContact CD1-CH2 3.77Å; I127-W185 HydrophobicContact CD1-CZ2 3.44Å; I127-W185 VanDerWaalsContact CD1-CZ2 3.44Å; H132-W185 HydrophobicContact CB-CD2 3.6Å; H132-W185 HydrophobicContact CB-CE3 3.75Å; H132-W185 HydrophobicContact CB-CG 4.16Å; H132-W185 HydrophobicContact CB-CH2 4.04Å; H132-W185 HydrophobicContact CB-CZ2 3.89Å; H132-W185 HydrophobicContact CB-CZ3 3.96Å; H132-W185 AromaticContact CD2-CD1 3.77Å; H132-W185 AromaticContact CD2-CG 3.6Å; L135-W185 HydrophobicContact CD1-CH2 3.86Å; L135-W185 HydrophobicContact CD1-CZ3 3.95Å; I181-W185 PolarHBondContact O-N 2.91Å; F182-W185 AromaticContact CD2-CE3 3.95Å; F182-W185 HydrophobicContact CD2-CE3 3.95Å; F182-W185 HydrophobicContact CD2-CZ3 4.45Å; F182-W185 AromaticContact CE2-CE3 3.57Å; F182-W185 HydrophobicContact CE2-CE3 3.57Å; F182-W185 AromaticContact CE2-CZ3 3.62Å; F182-W185 HydrophobicContact CE2-CZ3 3.62Å; F182-W185 HydrophobicContact CZ-CE3 4.26Å; F182-W185 HydrophobicContact CZ-CZ3 4.03Å; F182-W185 WeakPolarHBondContact O-CB 3.1Å; F182-W185 PolarHBondContact O-N 3.1Å; W185-Q187 VanDerWaalsContact C-N 3.32Å; W185-Q187 PolarHBondContact O-N 3.26Å; W185-E188 PolarHBondContact O-N 3.49Å; W185-E188 VanDerWaalsContact O-N 3.14Å; W185-V189 HydrophobicContact CD2-CG1 3.99Å; W185-V189 HydrophobicContact CD2-CG2 4.25Å; W185-V189 VanDerWaalsContact CE2-CG1 3.49Å; W185-V189 HydrophobicContact CE3-CG2 4.32Å; W185-V189 HydrophobicContact CG-CG1 4.12Å; W185-V189 HydrophobicContact CH2-CG2 4.24Å; W185-V189 HydrophobicContact CZ2-CG1 3.97Å; W185-V189 HydrophobicContact CZ2-CG2 4.16Å; W185-V189 HydrophobicContact CZ3-CG2 4.33Å; W185-V189 VanDerWaalsContact NE1-CG1 3.29Å; W185-V189 VanDerWaalsContact O-CG1 3.3Å; W185-V189 WeakPolarHBondContact O-CG1 3.38Å; W185-V189 WeakPolarHBondContact O-CG2 3.31Å; W185-V189 PolarHBondContact O-N 2.92Å
186	L	98.8	Very high	98.4	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-56.7	-43.8	176.6	-72.5	172.1	0	0	0	112.3	L161 F182 T183 E188 F190 L309 P311 L338	L161-L186 HydrophobicContact CD1-CB 3.77Å; L161-L186 HydrophobicContact CD2-CB 4.15Å; L161-L186 HydrophobicContact CD2-CD1 4.13Å; F182-L186 HydrophobicContact CD1-CD1 3.78Å; F182-L186 HydrophobicContact CD1-CG 4.29Å; F182-L186 HydrophobicContact CE1-CD1 3.66Å; F182-L186 HydrophobicContact CE1-CD2 4.4Å; F182-L186 HydrophobicContact CE1-CG 4.12Å; F182-L186 HydrophobicContact CZ-CD1 4.32Å; F182-L186 HydrophobicContact CZ-CD2 4.27Å; F182-L186 HydrophobicContact CZ-CG 4.33Å; F182-L186 WeakPolarHBondContact O-CG 3.49Å; F182-L186 PolarHBondContact O-N 3.34Å; T183-L186 PolarHBondContact O-N 3.07Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.12Å; L186-F190 HydrophobicContact CD2-CD2 3.93Å; L186-F190 HydrophobicContact CD2-CE2 3.64Å; L186-F190 WeakPolarHBondContact O-CB 3.38Å; L186-F190 WeakPolarHBondContact O-CD2 3.47Å; L186-F190 PolarHBondContact O-N 3.36Å; L186-L309 HydrophobicContact CD1-CD2 4.46Å; L186-P311 HydrophobicContact CD1-CB 4.14Å; L186-P311 HydrophobicContact CD1-CG 3.51Å; L186-L338 HydrophobicContact CD1-CD1 4.1Å; L186-L338 HydrophobicContact CD2-CD1 4.44Å
187	Q	98.7	Very high	98.5	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.019	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-44.1	177.1	174.3	175.9	78.5	0	0	111.4	L161 T183 K184 W185 D191 V192 L194 D231 K234 T235	L161-Q187 HydrophobicContact CD1-CB 4Å; T183-Q187 WeakPolarHBondContact O-CB 3.46Å; T183-Q187 PolarHBondContact O-N 2.81Å; K184-Q187 PolarHBondContact O-N 3.35Å; W185-Q187 VanDerWaalsContact C-N 3.32Å; W185-Q187 PolarHBondContact O-N 3.26Å; Q187-D191 VanDerWaalsContact O-CA 3.22Å; Q187-D191 WeakPolarHBondContact O-CA 3.21Å; Q187-D191 PolarHBondContact O-N 3.25Å; Q187-V192 PolarHBondContact O-N 2.84Å; Q187-L194 VanDerWaalsContact NE2-CB 3.32Å; Q187-D231 VanDerWaalsContact OE1-N 3.11Å; Q187-K234 PolarHBondContact NE2-O 3.28Å; Q187-T235 PolarHBondContact NE2-OG1 3.38Å
188	E	98.3	Very high	98.6	Very high	109 Å²	109	17.7 Å²	17.7	51%	0.509	9%	0.088	S	C	.	.	H	α-helix	trans	-70.4	-46	-179.3	-72.1	179.2	150.6	0	0	112.6	K184 W185 L186	K184-E188 WeakPolarHBondContact CE-OE1 3.44Å; K184-E188 WeakPolarHBondContact CE-OE2 3.17Å; K184-E188 IonicContact NZ-OE1 2.78Å; K184-E188 PolarHBondContact NZ-OE1 3.43Å; K184-E188 IonicContact NZ-OE2 3.7Å; K184-E188 PolarHBondContact NZ-OE2 3.22Å; K184-E188 WeakPolarHBondContact O-CG 3.31Å; K184-E188 PolarHBondContact O-N 3.4Å; K184-E188 VanDerWaalsContact O-N 3.09Å; W185-E188 PolarHBondContact O-N 3.49Å; W185-E188 VanDerWaalsContact O-N 3.14Å; L186-E188 VanDerWaalsContact C-N 3.32Å; L186-E188 PolarHBondContact O-N 3.12Å
189	V	98.2	Very high	98.6	Very high	12 Å²	12	17.8 Å²	17.8	7%	0.073	9%	0.088	C	C	.	.	H	α-helix	trans	-75.9	-30.2	-173	-54.6	0	0	0	0	113.3	I127 Q129 W185	I127-V189 HydrophobicContact CB-CB 4.19Å; I127-V189 HydrophobicContact CB-CG2 4.46Å; I127-V189 HydrophobicContact CD1-CB 4.23Å; I127-V189 HydrophobicContact CD1-CG1 4.43Å; I127-V189 HydrophobicContact CD1-CG2 4.27Å; I127-V189 HydrophobicContact CG2-CB 4.13Å; I127-V189 HydrophobicContact CG2-CG2 3.9Å; Q129-V189 VanDerWaalsContact CD-CG1 3.43Å; Q129-V189 HydrophobicContact CG-CG1 4.37Å; W185-V189 HydrophobicContact CD2-CG1 3.99Å; W185-V189 HydrophobicContact CD2-CG2 4.25Å; W185-V189 VanDerWaalsContact CE2-CG1 3.49Å; W185-V189 HydrophobicContact CE3-CG2 4.32Å; W185-V189 HydrophobicContact CG-CG1 4.12Å; W185-V189 HydrophobicContact CH2-CG2 4.24Å; W185-V189 HydrophobicContact CZ2-CG1 3.97Å; W185-V189 HydrophobicContact CZ2-CG2 4.16Å; W185-V189 HydrophobicContact CZ3-CG2 4.33Å; W185-V189 VanDerWaalsContact NE1-CG1 3.29Å; W185-V189 VanDerWaalsContact O-CG1 3.3Å; W185-V189 WeakPolarHBondContact O-CG1 3.38Å; W185-V189 WeakPolarHBondContact O-CG2 3.31Å; W185-V189 PolarHBondContact O-N 2.92Å
190	F	98.2	Very high	98.6	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-96.8	-14.4	177	-73	-72.9	0	0	0	113.5	I127 M146 L150 Y153 F159 L186 V192	I127-F190 HydrophobicContact CG2-CD1 4.03Å; I127-F190 HydrophobicContact CG2-CD2 4.45Å; I127-F190 HydrophobicContact CG2-CE1 3.59Å; I127-F190 HydrophobicContact CG2-CE2 4.04Å; I127-F190 HydrophobicContact CG2-CG 4.44Å; I127-F190 HydrophobicContact CG2-CZ 3.59Å; M146-F190 HydrophobicContact CE-CE2 4.45Å; M146-F190 HydrophobicContact CE-CZ 4.21Å; L150-F190 HydrophobicContact CD2-CE1 4.11Å; L150-F190 HydrophobicContact CD2-CZ 4.04Å; Y153-F190 AromaticContact CD1-CD1 3.92Å; Y153-F190 HydrophobicContact CD1-CD1 3.92Å; Y153-F190 AromaticContact CD1-CE1 3.94Å; Y153-F190 HydrophobicContact CD1-CE1 3.94Å; Y153-F190 AromaticContact CD2-CD1 3.83Å; Y153-F190 HydrophobicContact CD2-CD1 3.83Å; Y153-F190 AromaticContact CE1-CD1 3.89Å; Y153-F190 HydrophobicContact CE1-CD1 3.89Å; Y153-F190 HydrophobicContact CE1-CE1 4.12Å; Y153-F190 HydrophobicContact CE2-CB 4.33Å; Y153-F190 AromaticContact CE2-CD1 3.78Å; Y153-F190 HydrophobicContact CE2-CD1 3.78Å; Y153-F190 WeakPolarHBondContact CE2-O 3.25Å; Y153-F190 AromaticContact CG-CD1 3.88Å; Y153-F190 HydrophobicContact CG-CD1 3.88Å; Y153-F190 HydrophobicContact CG-CE1 4.15Å; Y153-F190 AromaticContact CZ-CD1 3.8Å; F159-F190 HydrophobicContact CE1-CB 4.09Å; F159-F190 HydrophobicContact CE1-CD1 4Å; F159-F190 HydrophobicContact CE1-CG 4.14Å; F159-F190 HydrophobicContact CZ-CB 3.63Å; F159-F190 AromaticContact CZ-CD1 3.87Å; F159-F190 HydrophobicContact CZ-CD1 3.87Å; F159-F190 HydrophobicContact CZ-CD2 4.07Å; F159-F190 AromaticContact CZ-CG 3.6Å; F159-F190 HydrophobicContact CZ-CG 3.6Å; L186-F190 HydrophobicContact CD2-CD2 3.93Å; L186-F190 HydrophobicContact CD2-CE2 3.64Å; L186-F190 WeakPolarHBondContact O-CB 3.38Å; L186-F190 WeakPolarHBondContact O-CD2 3.47Å; L186-F190 PolarHBondContact O-N 3.36Å; F190-V192 HydrophobicContact CB-CG1 4.05Å; F190-V192 HydrophobicContact CB-CG2 4.07Å
191	D	97.8	Very high	98.6	Very high	87 Å²	87	17.2 Å²	17.2	47%	0.465	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	64.4	-175.2	-169.2	26.4	0	0	0	112.8	Q187 K234 F471	Q187-D191 VanDerWaalsContact O-CA 3.22Å; Q187-D191 WeakPolarHBondContact O-CA 3.21Å; Q187-D191 PolarHBondContact O-N 3.25Å; D191-K234 VanDerWaalsContact OD1-CE 3.25Å; D191-K234 WeakPolarHBondContact OD1-CE 3.47Å; D191-K234 IonicContact OD1-NZ 2.84Å; D191-K234 PolarHBondContact OD1-NZ 2.74Å; D191-F471 VanDerWaalsContact O-CE1 3.3Å; D191-F471 WeakPolarHBondContact O-CE1 3.35Å
192	V	98.4	Very high	98.6	Very high	8 Å²	8	16.3 Å²	16.3	5%	0.048	8%	0.079	C	C	.	.			trans	-128.9	152.9	-173.1	-70.3	0	0	0	0	113.2	F159 L161 Q187 F190	F159-V192 HydrophobicContact CD1-CG1 3.94Å; F159-V192 HydrophobicContact CD2-CG1 4.33Å; F159-V192 HydrophobicContact CE1-CG1 3.64Å; F159-V192 HydrophobicContact CE2-CB 4.45Å; F159-V192 HydrophobicContact CE2-CG1 4.06Å; F159-V192 HydrophobicContact CE2-CG2 4Å; F159-V192 HydrophobicContact CG-CG1 4.28Å; F159-V192 HydrophobicContact CZ-CB 4.49Å; F159-V192 HydrophobicContact CZ-CG1 3.71Å; F159-V192 HydrophobicContact CZ-CG2 4.13Å; F159-V192 WeakPolarHBondContact O-CG1 3.22Å; L161-V192 HydrophobicContact CD1-CG2 3.7Å; L161-V192 HydrophobicContact CG-CG2 3.77Å; Q187-V192 PolarHBondContact O-N 2.84Å; F190-V192 HydrophobicContact CB-CG1 4.05Å; F190-V192 HydrophobicContact CB-CG2 4.07Å
193	P	98.6	Very high	98.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.013	9%	0.085	C	C	.	.			trans	-61.7	150.2	170.5	30.6	-42.3	0	0	0	112	Y160 L161 K234 F300 L469 F471 F473	Y160-P193 WeakPolarHBondContact CA-O 3.34Å; L161-P193 PolarHBondContact N-O 3.48Å; P193-K234 CarbonylContact C-O 3.54Å; P193-K234 WeakPolarHBondContact CA-O 3.36Å; P193-F300 HydrophobicContact CG-CE1 4.06Å; P193-L469 HydrophobicContact CB-CD1 3.81Å; P193-F471 HydrophobicContact CB-CD2 3.85Å; P193-F471 HydrophobicContact CB-CE2 3.78Å; P193-F471 HydrophobicContact CG-CD2 4.3Å; P193-F471 HydrophobicContact CG-CE2 4.32Å; P193-F471 VanDerWaalsContact N-CE2 3.3Å; P193-F473 HydrophobicContact CB-CZ 4.31Å; P193-F473 HydrophobicContact CG-CE1 4.21Å; P193-F473 HydrophobicContact CG-CZ 3.73Å
194	L	98.9	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135	177.3	171.4	61.8	0	0	0	110.5	L161 T163 T183 Q187 I196 F230 K234 T235 F236	L161-L194 HydrophobicContact CB-CB 4.29Å; L161-L194 HydrophobicContact CB-CD1 3.52Å; L161-L194 HydrophobicContact CB-CG 4.48Å; L161-L194 WeakPolarHBondContact O-CA 3.16Å; T163-L194 HydrophobicContact CG2-CD1 4.49Å; T183-L194 HydrophobicContact CG2-CD1 3.57Å; T183-L194 HydrophobicContact CG2-CD2 3.79Å; T183-L194 HydrophobicContact CG2-CG 4.35Å; Q187-L194 VanDerWaalsContact NE2-CB 3.32Å; L194-I196 HydrophobicContact CD1-CG1 4.07Å; L194-I196 HydrophobicContact CD2-CD1 3.84Å; L194-I196 HydrophobicContact CD2-CG1 3.96Å; L194-I196 HydrophobicContact CG-CD1 4.26Å; L194-I196 HydrophobicContact CG-CG1 3.82Å; L194-F230 HydrophobicContact CD2-CD1 3.34Å; L194-F230 HydrophobicContact CD2-CE1 3.26Å; L194-F230 HydrophobicContact CD2-CG 4.21Å; L194-F230 HydrophobicContact CD2-CZ 4.1Å; L194-K234 PolarHBondContact N-O 3.34Å; L194-T235 HydrophobicContact CB-CG2 4.39Å; L194-T235 HydrophobicContact CD2-CG2 3.96Å; L194-T235 HydrophobicContact CG-CG2 4.14Å; L194-T235 WeakPolarHBondContact O-CA 3.5Å; L194-F236 PolarHBondContact O-N 3.13Å
195	V	98.9	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.7	165.6	-58.9	0	0	0	0	110.3	Y160 L161 Y162 T163 F236 F238 F296 I299	Y160-V195 HydrophobicContact CD2-CG2 4.05Å; Y160-V195 HydrophobicContact CE2-CG2 3.8Å; L161-V195 PolarHBondContact O-N 3.28Å; Y162-V195 WeakPolarHBondContact CA-O 3.49Å; Y162-V195 HydrophobicContact CD2-CG2 3.95Å; Y162-V195 HydrophobicContact CG-CG2 4.16Å; T163-V195 PolarHBondContact N-O 3.42Å; V195-F236 CarbonylContact C-O 3.49Å; V195-F236 VanDerWaalsContact CA-O 3.26Å; V195-F236 WeakPolarHBondContact CA-O 3.36Å; V195-F236 HydrophobicContact CG1-CB 4.41Å; V195-F236 HydrophobicContact CG1-CD1 4.26Å; V195-F238 HydrophobicContact CB-CE1 4.3Å; V195-F296 HydrophobicContact CB-CE1 4.47Å; V195-F296 HydrophobicContact CB-CE2 4.3Å; V195-F296 HydrophobicContact CB-CZ 4.1Å; V195-F296 HydrophobicContact CG1-CD1 4.38Å; V195-F296 HydrophobicContact CG1-CD2 4.19Å; V195-F296 HydrophobicContact CG1-CE1 4.34Å; V195-F296 HydrophobicContact CG1-CE2 4.12Å; V195-F296 HydrophobicContact CG1-CG 4.3Å; V195-F296 HydrophobicContact CG1-CZ 4.2Å; V195-F296 HydrophobicContact CG2-CE2 3.85Å; V195-F296 HydrophobicContact CG2-CZ 3.94Å; V195-I299 HydrophobicContact CG1-CD1 3.79Å
196	I	98.9	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.1	178.9	-52.5	-178.7	0	0	0	109.2	T163 F180 L194 I225 F230 T235 F236 I237 F238	T163-I196 HydrophobicContact CG2-CG1 4.26Å; T163-I196 HydrophobicContact CG2-CG2 4.45Å; T163-I196 VanDerWaalsContact O-CA 3.31Å; T163-I196 WeakPolarHBondContact O-CA 3.49Å; F180-I196 HydrophobicContact CE1-CD1 4.25Å; F180-I196 HydrophobicContact CE1-CG2 3.98Å; F180-I196 HydrophobicContact CZ-CG2 4.46Å; L194-I196 HydrophobicContact CD1-CG1 4.07Å; L194-I196 HydrophobicContact CD2-CD1 3.84Å; L194-I196 HydrophobicContact CD2-CG1 3.96Å; L194-I196 HydrophobicContact CG-CD1 4.26Å; L194-I196 HydrophobicContact CG-CG1 3.82Å; I196-I225 HydrophobicContact CD1-CG2 3.5Å; I196-I225 HydrophobicContact CG2-CD1 4.25Å; I196-F230 HydrophobicContact CD1-CD2 4.27Å; I196-F230 HydrophobicContact CD1-CE2 4.09Å; I196-F230 HydrophobicContact CD1-CZ 4.3Å; I196-T235 HydrophobicContact CD1-CG2 4.04Å; I196-T235 HydrophobicContact CG1-CG2 4.36Å; I196-F236 PolarHBondContact N-O 3.09Å; I196-I237 HydrophobicContact CB-CB 4.48Å; I196-I237 HydrophobicContact CB-CG1 4.17Å; I196-I237 HydrophobicContact CB-CG2 4.34Å; I196-I237 HydrophobicContact CD1-CD1 4.45Å; I196-I237 HydrophobicContact CD1-CG1 4.18Å; I196-I237 HydrophobicContact CG1-CG1 4.45Å; I196-I237 CarbonylContact O-C 3.58Å; I196-I237 WeakPolarHBondContact O-CA 3.47Å; I196-F238 VanDerWaalsContact O-CD1 3.31Å; I196-F238 WeakPolarHBondContact O-CD1 3.48Å; I196-F238 PolarHBondContact O-N 3.02Å
197	Q	98.9	Very high	97.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.8	177.4	-174.5	177	30.1	0	0	111.2	Y162 T163 G164 R165 T199 F238 D240 I286	Y162-Q197 HydrophobicContact CE2-CB 3.77Å; Y162-Q197 PolarHBondContact OH-OE1 3.3Å; T163-Q197 PolarHBondContact O-N 2.84Å; G164-Q197 CarbonylContact C-O 3.49Å; G164-Q197 WeakPolarHBondContact CA-O 3.48Å; R165-Q197 PolarHBondContact N-O 3.25Å; Q197-T199 HydrophobicContact CG-CG2 3.76Å; Q197-F238 HydrophobicContact CB-CE1 3.96Å; Q197-F238 HydrophobicContact CB-CE2 4Å; Q197-F238 HydrophobicContact CB-CZ 3.49Å; Q197-F238 VanDerWaalsContact CB-CZ 3.49Å; Q197-F238 HydrophobicContact CG-CE2 3.68Å; Q197-F238 HydrophobicContact CG-CZ 3.68Å; Q197-D240 WeakPolarHBondContact CG-OD1 3.48Å; Q197-D240 WeakPolarHBondContact CG-OD2 3.47Å; Q197-D240 VanDerWaalsContact NE2-CG 3.26Å; Q197-D240 PolarHBondContact NE2-OD1 2.96Å; Q197-D240 PolarHBondContact NE2-OD2 3.04Å; Q197-I286 PolarHBondContact NE2-O 2.73Å
198	L	98.8	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	104.8	169.4	-58.6	177.4	0	0	0	108.6	R165 D200 A218 A222 I225 I237 F238 D240 M464	R165-L198 HydrophobicContact CB-CD2 3.94Å; R165-L198 HydrophobicContact CG-CD2 4.31Å; R165-L198 WeakPolarHBondContact O-CA 3.38Å; L198-D200 PolarHBondContact O-N 2.75Å; L198-A218 HydrophobicContact CB-CB 4.03Å; L198-A218 HydrophobicContact CD1-CB 4Å; L198-A218 WeakPolarHBondContact CD1-O 3.3Å; L198-A222 HydrophobicContact CD1-CB 3.94Å; L198-I225 HydrophobicContact CD2-CD1 3.69Å; L198-I237 HydrophobicContact CD1-CG2 3.6Å; L198-I237 HydrophobicContact CD2-CG2 4.49Å; L198-I237 HydrophobicContact CG-CG2 3.88Å; L198-F238 WeakPolarHBondContact CB-O 3.18Å; L198-F238 PolarHBondContact N-O 2.85Å; L198-D240 PolarHBondContact O-N 3.32Å; L198-D240 VanDerWaalsContact O-N 3.09Å; L198-M464 HydrophobicContact CD1-CE 4.18Å
199	T	98.5	Very high	97.4	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.031	16%	0.162	C	C	.	.			trans	-83.8	61.2	-172.4	59.4	0	0	0	0	111.1	R165 G166 Q197 D201 E202 K203 D240 F283	R165-T199 PolarHBondContact O-N 3.34Å; R165-T199 VanDerWaalsContact O-N 3.15Å; G166-T199 WeakPolarHBondContact CA-OG1 3.35Å; Q197-T199 HydrophobicContact CG-CG2 3.76Å; T199-D201 VanDerWaalsContact C-N 3.3Å; T199-E202 WeakPolarHBondContact CB-OE2 3.47Å; T199-E202 WeakPolarHBondContact O-CB 3.4Å; T199-E202 PolarHBondContact O-N 2.76Å; T199-E202 PolarHBondContact OG1-OE2 2.92Å; T199-K203 PolarHBondContact O-N 3.45Å; T199-K203 VanDerWaalsContact O-N 3.14Å; T199-D240 WeakPolarHBondContact CA-OD2 3.49Å; T199-D240 WeakPolarHBondContact CG2-OD2 3.32Å; T199-F283 HydrophobicContact CG2-CE2 4.27Å; T199-F283 HydrophobicContact CG2-CZ 3.85Å
200	D	98.3	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-31.3	176.1	47.8	1.8	0	0	0	112.9	P167 L198 K203 Y204 A214 H215 A218 S239 D240 L241	P167-D200 HydrophobicContact CG-CB 4.27Å; L198-D200 PolarHBondContact O-N 2.75Å; D200-K203 PolarHBondContact O-N 3.48Å; D200-Y204 WeakPolarHBondContact O-CB 3.35Å; D200-Y204 PolarHBondContact O-N 2.94Å; D200-A214 HydrophobicContact CB-CB 4.05Å; D200-A214 WeakPolarHBondContact O-CB 3.28Å; D200-H215 IonicContact OD2-CD2 2.78Å; D200-A218 HydrophobicContact CB-CB 4.09Å; D200-S239 VanDerWaalsContact CG-OG 3.23Å; D200-S239 PolarHBondContact OD1-OG 3.12Å; D200-S239 VanDerWaalsContact OD2-CB 3.24Å; D200-S239 WeakPolarHBondContact OD2-CB 3.43Å; D200-S239 PolarHBondContact OD2-OG 3.26Å; D200-D240 PolarHBondContact OD1-N 3.37Å; D200-D240 VanDerWaalsContact OD1-N 3.13Å; D200-L241 HydrophobicContact CB-CD1 4.13Å; D200-L241 HydrophobicContact CB-CG 4.5Å; D200-L241 WeakPolarHBondContact OD1-CG 3.42Å; D200-L241 PolarHBondContact OD1-N 2.78Å; D200-L241 VanDerWaalsContact OD1-N 3.09Å
201	D	98.3	Very high	97.4	Very high	14 Å²	14	39.2 Å²	39.2	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-42.2	169	65.8	-16.7	0	0	0	112.7	T199 K203 Y204 L205 D240 L241 I286	T199-D201 VanDerWaalsContact C-N 3.3Å; D201-K203 VanDerWaalsContact C-N 3.34Å; D201-K203 PolarHBondContact O-N 3.33Å; D201-Y204 WeakPolarHBondContact O-CB 3.36Å; D201-Y204 PolarHBondContact O-N 2.72Å; D201-L205 WeakPolarHBondContact O-CB 3.5Å; D201-L205 WeakPolarHBondContact O-CG 3.22Å; D201-L205 PolarHBondContact O-N 3.29Å; D201-D240 HydrophobicContact CB-CB 4.27Å; D201-D240 VanDerWaalsContact CG-CB 3.43Å; D201-D240 WeakPolarHBondContact OD1-CB 3.14Å; D201-L241 HydrophobicContact CB-CD2 3.8Å; D201-L241 HydrophobicContact CB-CG 4.09Å; D201-I286 WeakPolarHBondContact OD2-CD1 3.32Å
202	E	98.3	Very high	97.3	Very high	15 Å²	15	41.1 Å²	41.1	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-47.6	171.3	-169.8	-150.8	142.9	0	0	110.4	T199 Y204 L205 W206 F283	T199-E202 WeakPolarHBondContact CB-OE2 3.47Å; T199-E202 WeakPolarHBondContact O-CB 3.4Å; T199-E202 PolarHBondContact O-N 2.76Å; T199-E202 PolarHBondContact OG1-OE2 2.92Å; E202-Y204 VanDerWaalsContact C-N 3.31Å; E202-Y204 PolarHBondContact O-N 3.31Å; E202-L205 PolarHBondContact O-N 3.45Å; E202-L205 VanDerWaalsContact O-N 3.1Å; E202-W206 HydrophobicContact CB-CE3 4.43Å; E202-W206 HydrophobicContact CG-CD2 4.29Å; E202-W206 HydrophobicContact CG-CE3 3.62Å; E202-W206 HydrophobicContact CG-CZ3 3.74Å; E202-W206 VanDerWaalsContact O-CE3 3.24Å; E202-W206 PolarHBondContact O-N 3.04Å; E202-F283 HydrophobicContact CB-CD2 4.04Å; E202-F283 HydrophobicContact CB-CE1 4.08Å; E202-F283 HydrophobicContact CB-CE2 3.48Å; E202-F283 VanDerWaalsContact CB-CE2 3.48Å; E202-F283 HydrophobicContact CB-CZ 3.5Å; E202-F283 VanDerWaalsContact CB-CZ 3.5Å; E202-F283 HydrophobicContact CG-CD1 4.09Å; E202-F283 HydrophobicContact CG-CD2 4.39Å; E202-F283 HydrophobicContact CG-CE1 3.63Å; E202-F283 HydrophobicContact CG-CE2 4Å; E202-F283 HydrophobicContact CG-CG 4.46Å; E202-F283 HydrophobicContact CG-CZ 3.59Å
203	K	96.3	Very high	97.3	Very high	30 Å²	30	43.4 Å²	43.4	13%	0.13	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-34.7	-177.9	-62.3	-51.7	173.9	-151.1	0	112.2	G166 P167 T199 D200 D201 K207	G166-K203 VanDerWaalsContact O-CE 3.27Å; G166-K203 WeakPolarHBondContact O-CE 3.45Å; P167-K203 HydrophobicContact CG-CG 4.39Å; T199-K203 PolarHBondContact O-N 3.45Å; T199-K203 VanDerWaalsContact O-N 3.14Å; D200-K203 PolarHBondContact O-N 3.48Å; D201-K203 VanDerWaalsContact C-N 3.34Å; D201-K203 PolarHBondContact O-N 3.33Å; K203-K207 VanDerWaalsContact O-CB 3.24Å; K203-K207 WeakPolarHBondContact O-CB 3.42Å; K203-K207 PolarHBondContact O-N 3.34Å
204	Y	97.5	Very high	97.2	Very high	108 Å²	108	43.3 Å²	43.3	42%	0.424	21%	0.211	S	C	.	.	H	α-helix	trans	-61	-42.7	168.4	173.9	-103.2	0	0	0	112.4	D200 D201 E202 K207 L209 T211	D200-Y204 WeakPolarHBondContact O-CB 3.35Å; D200-Y204 PolarHBondContact O-N 2.94Å; D201-Y204 WeakPolarHBondContact O-CB 3.36Å; D201-Y204 PolarHBondContact O-N 2.72Å; E202-Y204 VanDerWaalsContact C-N 3.31Å; E202-Y204 PolarHBondContact O-N 3.31Å; Y204-K207 VanDerWaalsContact O-O 3.05Å; Y204-L209 WeakPolarHBondContact CD2-O 3.37Å; Y204-L209 WeakPolarHBondContact CE2-O 3.17Å; Y204-T211 HydrophobicContact CD1-CG2 4.4Å; Y204-T211 HydrophobicContact CD2-CG2 3.87Å; Y204-T211 HydrophobicContact CE1-CG2 4.42Å; Y204-T211 HydrophobicContact CE2-CG2 3.9Å; Y204-T211 HydrophobicContact CG-CG2 4.13Å
205	L	97.6	Very high	97.1	Very high	48 Å²	48	45.7 Å²	45.7	25%	0.251	22%	0.222	S	C	.	.	H	α-helix	trans	-72.5	-29.2	-178.9	-72.1	170.4	0	0	0	114.2	D201 E202 K280	D201-L205 WeakPolarHBondContact O-CB 3.5Å; D201-L205 WeakPolarHBondContact O-CG 3.22Å; D201-L205 PolarHBondContact O-N 3.29Å; E202-L205 PolarHBondContact O-N 3.45Å; E202-L205 VanDerWaalsContact O-N 3.1Å; L205-K280 HydrophobicContact CB-CG 4.41Å; L205-K280 VanDerWaalsContact O-CE 3.26Å; L205-K280 WeakPolarHBondContact O-CE 3.26Å
206	W	95.2	Very high	97.1	Very high	53 Å²	53	49.1 Å²	49.1	20%	0.201	24%	0.238	C	C	.	.	H	α-helix	trans	-100.5	-17.7	-176.7	-92.4	-101.9	0	0	0	114.8	W91 E202 F272 K280 F283	W91-W206 AromaticContact CE2-NE1 3.58Å; W91-W206 HydrophobicContact CH2-CZ2 4.35Å; W91-W206 AromaticContact CZ2-CE2 3.82Å; W91-W206 HydrophobicContact CZ2-CH2 4.48Å; W91-W206 AromaticContact CZ2-CZ2 3.48Å; W91-W206 HydrophobicContact CZ2-CZ2 3.48Å; W91-W206 VanDerWaalsContact CZ2-CZ2 3.48Å; W91-W206 AromaticContact CZ2-NE1 3.77Å; W91-W206 AromaticContact NE1-CD1 3.79Å; W91-W206 AromaticContact NE1-CE2 3.83Å; W91-W206 AromaticContact NE1-NE1 3.31Å; E202-W206 HydrophobicContact CB-CE3 4.43Å; E202-W206 HydrophobicContact CG-CD2 4.29Å; E202-W206 HydrophobicContact CG-CE3 3.62Å; E202-W206 HydrophobicContact CG-CZ3 3.74Å; E202-W206 VanDerWaalsContact O-CE3 3.24Å; E202-W206 PolarHBondContact O-N 3.04Å; W206-F272 HydrophobicContact CH2-CE1 4.49Å; W206-F272 HydrophobicContact CH2-CZ 4.14Å; W206-F272 AromaticContact CZ2-CE1 3.72Å; W206-F272 HydrophobicContact CZ2-CE1 3.72Å; W206-F272 AromaticContact CZ2-CZ 3.75Å; W206-F272 HydrophobicContact CZ2-CZ 3.75Å; W206-K280 HydrophobicContact CD2-CD 4.23Å; W206-K280 HydrophobicContact CD2-CG 3.95Å; W206-K280 HydrophobicContact CE3-CG 3.84Å; W206-K280 HydrophobicContact CH2-CB 3.71Å; W206-K280 HydrophobicContact CH2-CG 3.75Å; W206-K280 HydrophobicContact CZ2-CB 3.89Å; W206-K280 HydrophobicContact CZ2-CD 4.17Å; W206-K280 HydrophobicContact CZ2-CG 3.8Å; W206-K280 HydrophobicContact CZ3-CB 4.13Å; W206-K280 HydrophobicContact CZ3-CG 3.77Å; W206-F283 HydrophobicContact CH2-CB 3.88Å; W206-F283 AromaticContact CH2-CD1 3.8Å; W206-F283 HydrophobicContact CH2-CD1 3.8Å; W206-F283 HydrophobicContact CH2-CG 4.01Å; W206-F283 HydrophobicContact CZ3-CB 3.87Å; W206-F283 AromaticContact CZ3-CD1 3.92Å; W206-F283 HydrophobicContact CZ3-CD1 3.92Å; W206-F283 AromaticContact CZ3-CG 3.83Å; W206-F283 HydrophobicContact CZ3-CG 3.83Å
207	K	93.1	Very high	97	Very high	111 Å²	111	50.9 Å²	50.9	48%	0.483	25%	0.245	S	C	.	.	S	Bend	trans	-125.5	156.2	-175.9	-57.5	-66.3	-176.3	-178.2	0	110.5	K203 Y204 L209	K203-K207 VanDerWaalsContact O-CB 3.24Å; K203-K207 WeakPolarHBondContact O-CB 3.42Å; K203-K207 PolarHBondContact O-N 3.34Å; Y204-K207 VanDerWaalsContact O-O 3.05Å; K207-L209 VanDerWaalsContact C-N 3.27Å; K207-L209 HydrophobicContact CB-CD1 3.95Å; K207-L209 HydrophobicContact CB-CG 3.92Å; K207-L209 PolarHBondContact O-N 3.3Å
208	D	93.5	Very high	97	Very high	173 Å²	173	50.9 Å²	50.9	93%	0.925	25%	0.245	S	C	*	.	S	Bend	trans	-77.3	81.2	171.2	-171.5	22.1	0	0	0	109.5
209	L	93.9	Very high	96.9	Very high	38 Å²	38	52.9 Å²	52.9	20%	0.199	26%	0.255	C	S	.	.			trans	-134.5	151.2	179.8	-64.5	175.5	0	0	0	109.4	Y204 K207 K213 Y217	Y204-L209 WeakPolarHBondContact CD2-O 3.37Å; Y204-L209 WeakPolarHBondContact CE2-O 3.17Å; K207-L209 VanDerWaalsContact C-N 3.27Å; K207-L209 HydrophobicContact CB-CD1 3.95Å; K207-L209 HydrophobicContact CB-CG 3.92Å; K207-L209 PolarHBondContact O-N 3.3Å; L209-K213 HydrophobicContact CD2-CG 4.11Å; L209-Y217 HydrophobicContact CD1-CD2 4.17Å; L209-Y217 HydrophobicContact CD1-CE2 3.93Å; L209-Y217 HydrophobicContact CD2-CE2 4.06Å
210	T	97.6	Very high	96.9	Very high	77 Å²	77	54.7 Å²	54.7	47%	0.472	26%	0.263	S	S	.	.			trans	-79.2	161.1	165	79.8	0	0	0	0	110.3	E212 K213 A214	T210-E212 VanDerWaalsContact C-N 3.26Å; T210-E212 WeakPolarHBondContact CB-OE2 3.35Å; T210-E212 PolarHBondContact O-N 2.8Å; T210-E212 PolarHBondContact OG1-N 2.84Å; T210-E212 PolarHBondContact OG1-OE2 3Å; T210-K213 PolarHBondContact O-N 3.2Å; T210-K213 PolarHBondContact OG1-N 3.26Å; T210-A214 PolarHBondContact O-N 2.75Å
211	T	97.1	Very high	96.9	Very high	53 Å²	53	54.7 Å²	54.7	33%	0.325	26%	0.263	S	S	.	.	H	α-helix	trans	-58.3	-39.7	175	35.4	0	0	0	0	112	Y204 K213 A214 H215 L241	Y204-T211 HydrophobicContact CD1-CG2 4.4Å; Y204-T211 HydrophobicContact CD2-CG2 3.87Å; Y204-T211 HydrophobicContact CE1-CG2 4.42Å; Y204-T211 HydrophobicContact CE2-CG2 3.9Å; Y204-T211 HydrophobicContact CG-CG2 4.13Å; T211-K213 VanDerWaalsContact C-N 3.31Å; T211-K213 PolarHBondContact O-N 3.23Å; T211-A214 PolarHBondContact O-N 3.02Å; T211-H215 WeakPolarHBondContact O-CB 3.5Å; T211-H215 PolarHBondContact O-N 2.71Å; T211-L241 HydrophobicContact CG2-CD1 4.43Å
212	E	97.6	Very high	96.9	Very high	127 Å²	127	54 Å²	54	59%	0.593	26%	0.26	S	S	*	.	H	α-helix	trans	-65.5	-38.1	178.6	-56.6	66.2	-136.2	0	0	110.7	T210 E216	T210-E212 VanDerWaalsContact C-N 3.26Å; T210-E212 WeakPolarHBondContact CB-OE2 3.35Å; T210-E212 PolarHBondContact O-N 2.8Å; T210-E212 PolarHBondContact OG1-N 2.84Å; T210-E212 PolarHBondContact OG1-OE2 3Å; E212-E216 WeakPolarHBondContact O-CB 3.33Å; E212-E216 PolarHBondContact O-N 2.93Å
213	K	97	Very high	97	Very high	56 Å²	56	54.7 Å²	54.7	24%	0.243	26%	0.262	C	S	.	.	H	α-helix	trans	-73.1	-38.9	179.3	-168.1	54.8	167	178.1	0	112.3	L209 T210 T211 H215 E216 Y217	L209-K213 HydrophobicContact CD2-CG 4.11Å; T210-K213 PolarHBondContact O-N 3.2Å; T210-K213 PolarHBondContact OG1-N 3.26Å; T211-K213 VanDerWaalsContact C-N 3.31Å; T211-K213 PolarHBondContact O-N 3.23Å; K213-H215 VanDerWaalsContact C-N 3.32Å; K213-E216 HydrophobicContact CD-CB 4.47Å; K213-E216 VanDerWaalsContact CD-OE2 3.26Å; K213-E216 WeakPolarHBondContact CD-OE2 3.13Å; K213-E216 IonicContact NZ-OE1 3.51Å; K213-E216 PolarHBondContact NZ-OE1 3.2Å; K213-E216 IonicContact NZ-OE2 2.74Å; K213-E216 PolarHBondContact NZ-OE2 2.9Å; K213-E216 PolarHBondContact O-N 3.25Å; K213-Y217 HydrophobicContact CD-CE1 4.01Å; K213-Y217 VanDerWaalsContact CE-CE1 3.42Å; K213-Y217 VanDerWaalsContact CE-OH 3.29Å; K213-Y217 WeakPolarHBondContact CE-OH 3.45Å; K213-Y217 HydrophobicContact CG-CE1 4.38Å; K213-Y217 HydrophobicContact CG-CE2 4.19Å; K213-Y217 PolarHBondContact O-N 3.24Å; K213-Y217 VanDerWaalsContact O-N 3.09Å
214	A	97.3	Very high	97.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-42.8	174.1	0	0	0	0	0	111	D200 T210 T211 Y217 A218	D200-A214 HydrophobicContact CB-CB 4.05Å; D200-A214 WeakPolarHBondContact O-CB 3.28Å; T210-A214 PolarHBondContact O-N 2.75Å; T211-A214 PolarHBondContact O-N 3.02Å; A214-Y217 PolarHBondContact O-N 3.32Å; A214-A218 PolarHBondContact O-N 3.04Å
215	H	97.2	Very high	97.1	Very high	50 Å²	50	48.1 Å²	48.1	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-44.3	174.6	-173.7	-95.9	0	0	0	112.6	D200 T211 K213 Y217 A218 I219 D242	D200-H215 IonicContact OD2-CD2 2.78Å; T211-H215 WeakPolarHBondContact O-CB 3.5Å; T211-H215 PolarHBondContact O-N 2.71Å; K213-H215 VanDerWaalsContact C-N 3.32Å; H215-Y217 VanDerWaalsContact C-N 3.26Å; H215-Y217 PolarHBondContact O-N 3.21Å; H215-A218 WeakPolarHBondContact O-CA 3.29Å; H215-A218 VanDerWaalsContact O-CB 3.32Å; H215-A218 WeakPolarHBondContact O-CB 3.36Å; H215-A218 PolarHBondContact O-N 3.28Å; H215-I219 WeakPolarHBondContact O-CG1 3.08Å; H215-I219 PolarHBondContact O-N 2.7Å; H215-D242 IonicContact CD2-OD1 2.72Å; H215-D242 IonicContact CD2-OD2 2.81Å; H215-D242 IonicContact CE1-OD2 3.79Å; H215-D242 VanDerWaalsContact NE2-CG 3.26Å; H215-D242 IonicContact NE2-OD1 3.17Å; H215-D242 PolarHBondContact NE2-OD1 3.49Å; H215-D242 IonicContact NE2-OD2 3.65Å; H215-D242 PolarHBondContact NE2-OD2 3.01Å
216	E	97.7	Very high	97.2	Very high	73 Å²	73	46.3 Å²	46.3	34%	0.341	23%	0.226	S	C	.	.	H	α-helix	trans	-54.2	-44.2	173.4	-174.3	-159.3	129.6	0	0	111.2	Q170 E212 K213 I219 E220	Q170-E216 PolarHBondContact NE2-OE1 3.49Å; E212-E216 WeakPolarHBondContact O-CB 3.33Å; E212-E216 PolarHBondContact O-N 2.93Å; K213-E216 HydrophobicContact CD-CB 4.47Å; K213-E216 VanDerWaalsContact CD-OE2 3.26Å; K213-E216 WeakPolarHBondContact CD-OE2 3.13Å; K213-E216 IonicContact NZ-OE1 3.51Å; K213-E216 PolarHBondContact NZ-OE1 3.2Å; K213-E216 IonicContact NZ-OE2 2.74Å; K213-E216 PolarHBondContact NZ-OE2 2.9Å; K213-E216 PolarHBondContact O-N 3.25Å; E216-I219 PolarHBondContact O-N 2.92Å; E216-E220 PolarHBondContact O-N 3.26Å
217	Y	97.6	Very high	97.3	Very high	37 Å²	37	43.9 Å²	43.9	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-37.1	176	-64.5	-21.3	0	0	0	112.6	Q170 L209 K213 A214 H215 E220 N221	Q170-Y217 HydrophobicContact CG-CD1 3.77Å; Q170-Y217 HydrophobicContact CG-CE1 3.54Å; L209-Y217 HydrophobicContact CD1-CD2 4.17Å; L209-Y217 HydrophobicContact CD1-CE2 3.93Å; L209-Y217 HydrophobicContact CD2-CE2 4.06Å; K213-Y217 HydrophobicContact CD-CE1 4.01Å; K213-Y217 VanDerWaalsContact CE-CE1 3.42Å; K213-Y217 VanDerWaalsContact CE-OH 3.29Å; K213-Y217 WeakPolarHBondContact CE-OH 3.45Å; K213-Y217 HydrophobicContact CG-CE1 4.38Å; K213-Y217 HydrophobicContact CG-CE2 4.19Å; K213-Y217 PolarHBondContact O-N 3.24Å; K213-Y217 VanDerWaalsContact O-N 3.09Å; A214-Y217 PolarHBondContact O-N 3.32Å; H215-Y217 VanDerWaalsContact C-N 3.26Å; H215-Y217 PolarHBondContact O-N 3.21Å; Y217-E220 PolarHBondContact O-N 3.17Å; Y217-N221 WeakPolarHBondContact O-CB 3.5Å; Y217-N221 PolarHBondContact O-N 3.08Å; Y217-N221 PolarHBondContact O-ND2 3.42Å
218	A	98.2	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-49.3	172.8	0	0	0	0	0	110.9	P167 L198 D200 A214 H215 E220 N221 A222	P167-A218 HydrophobicContact CG-CB 4.13Å; L198-A218 HydrophobicContact CB-CB 4.03Å; L198-A218 HydrophobicContact CD1-CB 4Å; L198-A218 WeakPolarHBondContact CD1-O 3.3Å; D200-A218 HydrophobicContact CB-CB 4.09Å; A214-A218 PolarHBondContact O-N 3.04Å; H215-A218 WeakPolarHBondContact O-CA 3.29Å; H215-A218 VanDerWaalsContact O-CB 3.32Å; H215-A218 WeakPolarHBondContact O-CB 3.36Å; H215-A218 PolarHBondContact O-N 3.28Å; A218-E220 PolarHBondContact O-N 2.76Å; A218-N221 PolarHBondContact O-N 3.1Å; A218-A222 WeakPolarHBondContact O-CB 3.45Å; A218-A222 PolarHBondContact O-N 2.96Å
219	I	98.2	Very high	97.8	Very high	42 Å²	42	32.8 Å²	32.8	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-44.5	178.7	-59.6	-54.1	0	0	0	111.8	H215 E216 A222 K223 V460 M464	H215-I219 WeakPolarHBondContact O-CG1 3.08Å; H215-I219 PolarHBondContact O-N 2.7Å; E216-I219 PolarHBondContact O-N 2.92Å; I219-A222 WeakPolarHBondContact O-CB 3.44Å; I219-A222 PolarHBondContact O-N 3.15Å; I219-K223 PolarHBondContact O-N 2.86Å; I219-V460 HydrophobicContact CG2-CG1 4.25Å; I219-M464 HydrophobicContact CD1-CE 3.78Å; I219-M464 HydrophobicContact CD1-SD 3.64Å
220	E	97.9	Very high	98.1	Very high	44 Å²	44	31.5 Å²	31.5	21%	0.206	17%	0.166	C	C	.	.	H	α-helix	trans	-69.4	-34.9	178.9	-73.5	-58.8	123.5	0	0	113.3	E216 Y217 A218 K223 D224 R452	E216-E220 PolarHBondContact O-N 3.26Å; Y217-E220 PolarHBondContact O-N 3.17Å; A218-E220 PolarHBondContact O-N 2.76Å; E220-K223 WeakPolarHBondContact O-CB 3.27Å; E220-K223 PolarHBondContact O-N 3.1Å; E220-K223 IonicContact OE1-NZ 3Å; E220-K223 PolarHBondContact OE1-NZ 3.44Å; E220-D224 PolarHBondContact O-N 3.33Å; E220-R452 PolarHBondContact O-NH2 3.34Å; E220-R452 IonicContact OE2-CZ 2.62Å; E220-R452 IonicContact OE2-NH1 2.69Å; E220-R452 IonicContact OE2-NH2 3.75Å; E220-R452 PolarHBondContact OE2-NH2 2.95Å
221	N	98.4	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-72.2	-31.2	173.6	-78	-122	0	0	0	110.8	R165 P167 S169 M172 Y217 A218 K223 D224 I225	R165-N221 HydrophobicContact CG-CB 4.47Å; R165-N221 PolarHBondContact NE-OD1 2.79Å; R165-N221 VanDerWaalsContact NE-OD1 3.11Å; P167-N221 HydrophobicContact CB-CB 4.2Å; S169-N221 PolarHBondContact O-ND2 3.48Å; M172-N221 WeakPolarHBondContact CG-OD1 3.23Å; Y217-N221 WeakPolarHBondContact O-CB 3.5Å; Y217-N221 PolarHBondContact O-N 3.08Å; Y217-N221 PolarHBondContact O-ND2 3.42Å; A218-N221 PolarHBondContact O-N 3.1Å; N221-K223 VanDerWaalsContact C-N 3.26Å; N221-K223 PolarHBondContact O-N 3.05Å; N221-D224 PolarHBondContact O-N 3.06Å; N221-I225 WeakPolarHBondContact O-CD1 3.26Å; N221-I225 VanDerWaalsContact O-CG1 3.28Å; N221-I225 WeakPolarHBondContact O-CG1 3.34Å; N221-I225 PolarHBondContact O-N 3.2Å
222	A	98.6	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-39.3	172.4	0	0	0	0	0	111	L198 A218 I219 I225 I226 I237 V460 M464	L198-A222 HydrophobicContact CD1-CB 3.94Å; A218-A222 WeakPolarHBondContact O-CB 3.45Å; A218-A222 PolarHBondContact O-N 2.96Å; I219-A222 WeakPolarHBondContact O-CB 3.44Å; I219-A222 PolarHBondContact O-N 3.15Å; A222-I225 PolarHBondContact O-N 3.29Å; A222-I226 WeakPolarHBondContact O-CB 3.44Å; A222-I226 WeakPolarHBondContact O-CD1 3.26Å; A222-I226 WeakPolarHBondContact O-CG1 3.5Å; A222-I226 PolarHBondContact O-N 2.81Å; A222-I237 HydrophobicContact CB-CG2 4.35Å; A222-V460 HydrophobicContact CB-CG1 4.21Å; A222-M464 HydrophobicContact CB-SD 3.91Å
223	K	98.6	Very high	98.2	Very high	28 Å²	28	27.4 Å²	27.4	12%	0.122	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-43.9	174.5	-65.2	174.3	-179.4	171.3	0	112.3	I219 E220 N221 I225 I226 A227 R452 V455 D457 V460	I219-K223 PolarHBondContact O-N 2.86Å; E220-K223 WeakPolarHBondContact O-CB 3.27Å; E220-K223 PolarHBondContact O-N 3.1Å; E220-K223 IonicContact OE1-NZ 3Å; E220-K223 PolarHBondContact OE1-NZ 3.44Å; N221-K223 VanDerWaalsContact C-N 3.26Å; N221-K223 PolarHBondContact O-N 3.05Å; K223-I225 VanDerWaalsContact C-N 3.32Å; K223-I225 PolarHBondContact O-N 2.79Å; K223-I226 PolarHBondContact O-N 3.02Å; K223-A227 WeakPolarHBondContact O-CB 3.4Å; K223-A227 PolarHBondContact O-N 2.84Å; K223-R452 HydrophobicContact CB-CG 4.39Å; K223-V455 HydrophobicContact CB-CG1 4.2Å; K223-V455 HydrophobicContact CG-CG1 3.92Å; K223-D457 IonicContact NZ-OD1 2.68Å; K223-D457 PolarHBondContact NZ-OD1 2.99Å; K223-V460 HydrophobicContact CD-CG2 4.43Å; K223-V460 HydrophobicContact CG-CG2 3.56Å
224	D	98.4	Very high	98.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-39.4	175.7	-77.8	-21.9	0	0	0	112.1	M172 E220 N221 A227 H448 R452	M172-D224 HydrophobicContact CG-CB 4.2Å; M172-D224 PolarHBondContact N-OD2 2.82Å; M172-D224 VanDerWaalsContact N-OD2 3.15Å; M172-D224 HydrophobicContact SD-CB 3.41Å; M172-D224 WeakPolarHBondContact SD-CB 3.28Å; E220-D224 PolarHBondContact O-N 3.33Å; N221-D224 PolarHBondContact O-N 3.06Å; D224-A227 PolarHBondContact O-N 3.15Å; D224-H448 PolarHBondContact O-NE2 2.9Å; D224-H448 IonicContact OD1-CE1 3.61Å; D224-H448 PolarHBondContact OD1-CE1 2.96Å; D224-R452 WeakPolarHBondContact OD1-CD 3.45Å; D224-R452 IonicContact OD1-CZ 2.69Å; D224-R452 IonicContact OD1-NE 3.63Å; D224-R452 PolarHBondContact OD1-NE 2.86Å
225	I	98.7	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.8	-47.2	178.3	-69	163.3	0	0	0	110.6	R165 M172 F180 I196 L198 N221 A222 K223 A227 C228 F230 I237	R165-I225 HydrophobicContact CB-CD1 4.2Å; R165-I225 HydrophobicContact CG-CD1 4.48Å; M172-I225 HydrophobicContact CE-CG1 4.4Å; M172-I225 HydrophobicContact SD-CG1 4.12Å; F180-I225 HydrophobicContact CD1-CG1 4.42Å; F180-I225 HydrophobicContact CD1-CG2 4.23Å; F180-I225 HydrophobicContact CD2-CG1 4.42Å; F180-I225 HydrophobicContact CE1-CD1 4.09Å; F180-I225 HydrophobicContact CE1-CG1 3.97Å; F180-I225 HydrophobicContact CE1-CG2 4.08Å; F180-I225 HydrophobicContact CE2-CD1 4.29Å; F180-I225 HydrophobicContact CE2-CG1 3.99Å; F180-I225 HydrophobicContact CZ-CD1 3.71Å; F180-I225 HydrophobicContact CZ-CG1 3.75Å; I196-I225 HydrophobicContact CD1-CG2 3.5Å; I196-I225 HydrophobicContact CG2-CD1 4.25Å; L198-I225 HydrophobicContact CD2-CD1 3.69Å; N221-I225 WeakPolarHBondContact O-CD1 3.26Å; N221-I225 VanDerWaalsContact O-CG1 3.28Å; N221-I225 WeakPolarHBondContact O-CG1 3.34Å; N221-I225 PolarHBondContact O-N 3.2Å; A222-I225 PolarHBondContact O-N 3.29Å; K223-I225 VanDerWaalsContact C-N 3.32Å; K223-I225 PolarHBondContact O-N 2.79Å; I225-A227 PolarHBondContact O-N 3.48Å; I225-C228 WeakPolarHBondContact O-CB 3.32Å; I225-C228 PolarHBondContact O-N 3.37Å; I225-F230 HydrophobicContact CG2-CD2 3.97Å; I225-F230 HydrophobicContact CG2-CE2 3.83Å; I225-F230 WeakPolarHBondContact O-CD2 3.46Å; I225-I237 HydrophobicContact CB-CD1 4.46Å; I225-I237 HydrophobicContact CG2-CD1 3.86Å
226	I	98.8	Very high	98.4	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.046	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-39.3	175.9	-68.1	163.2	0	0	0	110.4	A222 K223 C228 G229 I237 V455 M459 V460 F463	A222-I226 WeakPolarHBondContact O-CB 3.44Å; A222-I226 WeakPolarHBondContact O-CD1 3.26Å; A222-I226 WeakPolarHBondContact O-CG1 3.5Å; A222-I226 PolarHBondContact O-N 2.81Å; K223-I226 PolarHBondContact O-N 3.02Å; I226-C228 PolarHBondContact O-N 2.75Å; I226-C228 VanDerWaalsContact O-N 3.07Å; I226-G229 PolarHBondContact O-N 2.91Å; I226-I237 HydrophobicContact CD1-CD1 4.36Å; I226-I237 HydrophobicContact CG1-CD1 3.77Å; I226-V455 HydrophobicContact CB-CG1 4.34Å; I226-V455 HydrophobicContact CB-CG2 4.22Å; I226-V455 HydrophobicContact CD1-CG1 4.14Å; I226-V455 HydrophobicContact CG2-CG1 4.12Å; I226-V455 HydrophobicContact CG2-CG2 3.76Å; I226-M459 HydrophobicContact CG2-CE 4.09Å; I226-M459 HydrophobicContact CG2-CG 4.33Å; I226-M459 HydrophobicContact CG2-SD 4.15Å; I226-V460 HydrophobicContact CD1-CB 4.36Å; I226-V460 HydrophobicContact CD1-CG2 3.95Å; I226-F463 HydrophobicContact CB-CE2 4.38Å; I226-F463 HydrophobicContact CD1-CB 4.03Å; I226-F463 HydrophobicContact CD1-CD2 3.56Å; I226-F463 HydrophobicContact CD1-CE2 4.16Å; I226-F463 HydrophobicContact CD1-CG 3.86Å; I226-F463 HydrophobicContact CG1-CB 4.41Å; I226-F463 HydrophobicContact CG1-CD1 4.2Å; I226-F463 HydrophobicContact CG1-CD2 3.67Å; I226-F463 HydrophobicContact CG1-CE1 4.36Å; I226-F463 HydrophobicContact CG1-CE2 3.87Å; I226-F463 HydrophobicContact CG1-CG 3.85Å; I226-F463 HydrophobicContact CG1-CZ 4.21Å; I226-F463 HydrophobicContact CG2-CD2 4.17Å; I226-F463 HydrophobicContact CG2-CE2 3.64Å; I226-F463 HydrophobicContact CG2-CZ 4.09Å
227	A	98.6	Very high	98.5	Very high	2 Å²	2	21 Å²	21	2%	0.017	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-7.7	175.9	0	0	0	0	0	114.5	K223 D224 I225 R451 R452	K223-A227 WeakPolarHBondContact O-CB 3.4Å; K223-A227 PolarHBondContact O-N 2.84Å; D224-A227 PolarHBondContact O-N 3.15Å; I225-A227 PolarHBondContact O-N 3.48Å; A227-R451 HydrophobicContact CB-CB 4.19Å; A227-R451 PolarHBondContact O-NE 2.94Å; A227-R451 PolarHBondContact O-NH2 3.34Å; A227-R452 HydrophobicContact CB-CB 3.71Å; A227-R452 HydrophobicContact CB-CG 4.26Å
228	C	98.5	Very high	98.6	Very high	16 Å²	16	19.3 Å²	19.3	11%	0.108	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-13.7	166.6	-61.1	0	0	0	0	112.8	I225 I226 F230	I225-C228 WeakPolarHBondContact O-CB 3.32Å; I225-C228 PolarHBondContact O-N 3.37Å; I226-C228 PolarHBondContact O-N 2.75Å; I226-C228 VanDerWaalsContact O-N 3.07Å; C228-F230 HydrophobicContact CB-CD2 4.14Å; C228-F230 HydrophobicContact CB-CE2 3.84Å
229	G	98.3	Very high	98.6	Very high	36 Å²	36	19.4 Å²	19.4	37%	0.371	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	34.6	175	0	0	0	0	0	114.3	I226	I226-G229 PolarHBondContact O-N 2.91Å
230	F	98.8	Very high	98.6	Very high	11 Å²	11	17.4 Å²	17.4	5%	0.048	10%	0.097	C	C	.	.			trans	-66.5	146.4	171.8	-71	-74.1	0	0	0	111.5	F180 T183 K184 L194 I196 I225 C228 I232 T235 F463	F180-F230 HydrophobicContact CB-CE2 4.31Å; F180-F230 HydrophobicContact CB-CZ 4.24Å; F180-F230 AromaticContact CD1-CE2 3.92Å; F180-F230 HydrophobicContact CD1-CE2 3.92Å; F180-F230 AromaticContact CD1-CZ 3.91Å; F180-F230 HydrophobicContact CD1-CZ 3.91Å; F180-F230 WeakPolarHBondContact O-CZ 3.49Å; T183-F230 HydrophobicContact CG2-CE1 4.06Å; T183-F230 HydrophobicContact CG2-CZ 4.42Å; K184-F230 VanDerWaalsContact CA-CE1 3.44Å; K184-F230 HydrophobicContact CB-CD1 4.01Å; K184-F230 HydrophobicContact CB-CE1 3.59Å; K184-F230 HydrophobicContact CB-CZ 3.94Å; K184-F230 HydrophobicContact CG-CD1 4.31Å; K184-F230 HydrophobicContact CG-CE1 4.37Å; L194-F230 HydrophobicContact CD2-CD1 3.34Å; L194-F230 HydrophobicContact CD2-CE1 3.26Å; L194-F230 HydrophobicContact CD2-CG 4.21Å; L194-F230 HydrophobicContact CD2-CZ 4.1Å; I196-F230 HydrophobicContact CD1-CD2 4.27Å; I196-F230 HydrophobicContact CD1-CE2 4.09Å; I196-F230 HydrophobicContact CD1-CZ 4.3Å; I225-F230 HydrophobicContact CG2-CD2 3.97Å; I225-F230 HydrophobicContact CG2-CE2 3.83Å; I225-F230 WeakPolarHBondContact O-CD2 3.46Å; C228-F230 HydrophobicContact CB-CD2 4.14Å; C228-F230 HydrophobicContact CB-CE2 3.84Å; F230-I232 PolarHBondContact O-N 3.48Å; F230-T235 HydrophobicContact CB-CG2 4.16Å; F230-T235 HydrophobicContact CG-CG2 4.48Å; F230-F463 HydrophobicContact CB-CE1 4.28Å
231	D	98.4	Very high	98.6	Very high	54 Å²	54	18.4 Å²	18.4	29%	0.289	10%	0.103	S	C	.	.			trans	-73.5	118.6	177.7	-175.8	-15.8	0	0	0	110	Q187 N233 K234 T235	Q187-D231 VanDerWaalsContact OE1-N 3.11Å; D231-N233 PolarHBondContact O-N 3.45Å; D231-N233 WeakPolarHBondContact OD1-CB 3.32Å; D231-N233 PolarHBondContact OD1-N 2.91Å; D231-N233 PolarHBondContact OD1-ND2 3.45Å; D231-K234 HydrophobicContact CB-CB 4.14Å; D231-K234 HydrophobicContact CB-CD 4.16Å; D231-K234 HydrophobicContact CB-CG 4.22Å; D231-K234 CarbonylContact O-C 3.6Å; D231-K234 PolarHBondContact O-N 3.15Å; D231-K234 VanDerWaalsContact OD2-CD 3.3Å; D231-K234 WeakPolarHBondContact OD2-CD 3.25Å; D231-K234 WeakPolarHBondContact OD2-CE 3.43Å; D231-K234 IonicContact OD2-NZ 2.62Å; D231-T235 VanDerWaalsContact O-CB 3.25Å; D231-T235 WeakPolarHBondContact O-CB 3.24Å; D231-T235 PolarHBondContact O-N 2.81Å; D231-T235 PolarHBondContact O-OG1 3.19Å
232	I	98.5	Very high	98.6	Very high	35 Å²	35	22.3 Å²	22.3	18%	0.179	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.4	178.7	-163	165.3	0	0	0	112.6	F230 K234 M459 Q462 F463 R467	F230-I232 PolarHBondContact O-N 3.48Å; I232-K234 VanDerWaalsContact C-N 3.29Å; I232-M459 HydrophobicContact CD1-CG 3.98Å; I232-Q462 HydrophobicContact CD1-CB 4.03Å; I232-Q462 HydrophobicContact CD1-CG 3.73Å; I232-Q462 VanDerWaalsContact CD1-OE1 3.31Å; I232-Q462 HydrophobicContact CG1-CG 4.09Å; I232-F463 HydrophobicContact CB-CD2 4.37Å; I232-F463 HydrophobicContact CB-CE1 4.16Å; I232-F463 HydrophobicContact CB-CE2 3.69Å; I232-F463 HydrophobicContact CB-CZ 3.56Å; I232-F463 HydrophobicContact CD1-CD2 3.71Å; I232-F463 HydrophobicContact CD1-CE2 3.57Å; I232-F463 HydrophobicContact CD1-CZ 4.34Å; I232-F463 HydrophobicContact CG1-CD1 4.41Å; I232-F463 HydrophobicContact CG1-CD2 3.7Å; I232-F463 HydrophobicContact CG1-CE1 4.26Å; I232-F463 HydrophobicContact CG1-CE2 3.5Å; I232-F463 HydrophobicContact CG1-CG 4.15Å; I232-F463 HydrophobicContact CG1-CZ 3.81Å; I232-R467 PolarHBondContact O-NH2 2.98Å
233	N	98.6	Very high	98.6	Very high	82 Å²	82	22.5 Å²	22.5	44%	0.439	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.7	178.5	-58.4	-57.6	0	0	0	112.2	D231 L469 A470	D231-N233 PolarHBondContact O-N 3.45Å; D231-N233 WeakPolarHBondContact OD1-CB 3.32Å; D231-N233 PolarHBondContact OD1-N 2.91Å; D231-N233 PolarHBondContact OD1-ND2 3.45Å; N233-L469 CarbonylContact O-C 3.52Å; N233-L469 WeakPolarHBondContact O-CA 3.41Å; N233-L469 WeakPolarHBondContact O-CB 3.24Å; N233-A470 HydrophobicContact CB-CB 3.89Å; N233-A470 PolarHBondContact O-N 3.36Å
234	K	98.7	Very high	98.3	Very high	44 Å²	44	24 Å²	24	19%	0.191	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	2	-172.2	-56.4	178.1	-175.3	170.9	0	113.3	Q187 D191 P193 L194 D231 I232 L469 F471	Q187-K234 PolarHBondContact NE2-O 3.28Å; D191-K234 VanDerWaalsContact OD1-CE 3.25Å; D191-K234 WeakPolarHBondContact OD1-CE 3.47Å; D191-K234 IonicContact OD1-NZ 2.84Å; D191-K234 PolarHBondContact OD1-NZ 2.74Å; P193-K234 CarbonylContact C-O 3.54Å; P193-K234 WeakPolarHBondContact CA-O 3.36Å; L194-K234 PolarHBondContact N-O 3.34Å; D231-K234 HydrophobicContact CB-CB 4.14Å; D231-K234 HydrophobicContact CB-CD 4.16Å; D231-K234 HydrophobicContact CB-CG 4.22Å; D231-K234 CarbonylContact O-C 3.6Å; D231-K234 PolarHBondContact O-N 3.15Å; D231-K234 VanDerWaalsContact OD2-CD 3.3Å; D231-K234 WeakPolarHBondContact OD2-CD 3.25Å; D231-K234 WeakPolarHBondContact OD2-CE 3.43Å; D231-K234 IonicContact OD2-NZ 2.62Å; I232-K234 VanDerWaalsContact C-N 3.29Å; K234-L469 WeakPolarHBondContact O-CD1 3.49Å; K234-F471 HydrophobicContact CB-CE2 3.74Å; K234-F471 HydrophobicContact CB-CZ 4.19Å; K234-F471 HydrophobicContact CD-CE2 4.12Å; K234-F471 HydrophobicContact CD-CZ 3.77Å; K234-F471 HydrophobicContact CG-CE2 3.56Å; K234-F471 HydrophobicContact CG-CZ 3.76Å
235	T	98.9	Very high	98	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.7	-172.3	-49.4	0	0	0	0	111.7	Q187 L194 I196 F230 D231 I237 F463 R467	Q187-T235 PolarHBondContact NE2-OG1 3.38Å; L194-T235 HydrophobicContact CB-CG2 4.39Å; L194-T235 HydrophobicContact CD2-CG2 3.96Å; L194-T235 HydrophobicContact CG-CG2 4.14Å; L194-T235 WeakPolarHBondContact O-CA 3.5Å; I196-T235 HydrophobicContact CD1-CG2 4.04Å; I196-T235 HydrophobicContact CG1-CG2 4.36Å; F230-T235 HydrophobicContact CB-CG2 4.16Å; F230-T235 HydrophobicContact CG-CG2 4.48Å; D231-T235 VanDerWaalsContact O-CB 3.25Å; D231-T235 WeakPolarHBondContact O-CB 3.24Å; D231-T235 PolarHBondContact O-N 2.81Å; D231-T235 PolarHBondContact O-OG1 3.19Å; T235-I237 HydrophobicContact CG2-CG1 4.12Å; T235-F463 HydrophobicContact CG2-CD1 4.08Å; T235-F463 HydrophobicContact CG2-CE1 4.08Å; T235-R467 PolarHBondContact O-NH2 2.87Å
236	F	98.9	Very high	97.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117	170.4	175	-122.9	0	0	0	109.3	L194 V195 I196 F238 Y243 F296 I299 P466	L194-F236 PolarHBondContact O-N 3.13Å; V195-F236 CarbonylContact C-O 3.49Å; V195-F236 VanDerWaalsContact CA-O 3.26Å; V195-F236 WeakPolarHBondContact CA-O 3.36Å; V195-F236 HydrophobicContact CG1-CB 4.41Å; V195-F236 HydrophobicContact CG1-CD1 4.26Å; I196-F236 PolarHBondContact N-O 3.09Å; F236-F238 HydrophobicContact CD1-CB 4.5Å; F236-F238 AromaticContact CD1-CD1 3.94Å; F236-F238 HydrophobicContact CD1-CD1 3.94Å; F236-F238 HydrophobicContact CE1-CB 3.73Å; F236-F238 AromaticContact CE1-CD1 3.71Å; F236-F238 HydrophobicContact CE1-CD1 3.71Å; F236-F238 AromaticContact CE1-CG 3.91Å; F236-F238 HydrophobicContact CE1-CG 3.91Å; F236-F238 HydrophobicContact CE2-CB 4.25Å; F236-F238 HydrophobicContact CZ-CB 3.59Å; F236-F238 HydrophobicContact CZ-CD1 4.44Å; F236-F238 HydrophobicContact CZ-CG 4.27Å; F236-Y243 HydrophobicContact CE1-CD2 4.23Å; F236-Y243 HydrophobicContact CE1-CE1 4.28Å; F236-Y243 HydrophobicContact CE1-CE2 4Å; F236-Y243 AromaticContact CZ-CD2 3.76Å; F236-Y243 HydrophobicContact CZ-CD2 3.76Å; F236-Y243 AromaticContact CZ-CE2 3.77Å; F236-Y243 HydrophobicContact CZ-CE2 3.77Å; F236-Y243 HydrophobicContact CZ-CG 4.29Å; F236-F296 HydrophobicContact CD1-CD1 4.05Å; F236-F296 HydrophobicContact CD1-CE1 4.23Å; F236-F296 AromaticContact CE1-CD1 3.86Å; F236-F296 HydrophobicContact CE1-CD1 3.86Å; F236-F296 AromaticContact CE1-CE1 4Å; F236-F296 HydrophobicContact CE1-CE1 4Å; F236-I299 HydrophobicContact CB-CD1 3.64Å; F236-I299 HydrophobicContact CD1-CD1 3.66Å; F236-I299 HydrophobicContact CG-CD1 3.86Å; F236-P466 HydrophobicContact CE2-CB 4.37Å; F236-P466 HydrophobicContact CE2-CG 4.1Å; F236-P466 HydrophobicContact CZ-CB 4.36Å; F236-P466 HydrophobicContact CZ-CG 4.02Å
237	I	98.9	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.8	174.2	-53.4	-178.2	0	0	0	106.8	I196 L198 A222 I225 I226 T235 F463 M464	I196-I237 HydrophobicContact CB-CB 4.48Å; I196-I237 HydrophobicContact CB-CG1 4.17Å; I196-I237 HydrophobicContact CB-CG2 4.34Å; I196-I237 HydrophobicContact CD1-CD1 4.45Å; I196-I237 HydrophobicContact CD1-CG1 4.18Å; I196-I237 HydrophobicContact CG1-CG1 4.45Å; I196-I237 CarbonylContact O-C 3.58Å; I196-I237 WeakPolarHBondContact O-CA 3.47Å; L198-I237 HydrophobicContact CD1-CG2 3.6Å; L198-I237 HydrophobicContact CD2-CG2 4.49Å; L198-I237 HydrophobicContact CG-CG2 3.88Å; A222-I237 HydrophobicContact CB-CG2 4.35Å; I225-I237 HydrophobicContact CB-CD1 4.46Å; I225-I237 HydrophobicContact CG2-CD1 3.86Å; I226-I237 HydrophobicContact CD1-CD1 4.36Å; I226-I237 HydrophobicContact CG1-CD1 3.77Å; T235-I237 HydrophobicContact CG2-CG1 4.12Å; I237-F463 HydrophobicContact CD1-CB 4.2Å; I237-F463 HydrophobicContact CD1-CD1 3.99Å; I237-F463 HydrophobicContact CD1-CG 4.3Å; I237-F463 HydrophobicContact CG1-CB 4.31Å; I237-F463 HydrophobicContact CG1-CD1 4.16Å; I237-F463 PolarHBondContact N-O 2.76Å; I237-F463 VanDerWaalsContact N-O 3.13Å; I237-M464 HydrophobicContact CB-CG 4.05Å; I237-M464 HydrophobicContact CG2-CG 4.28Å; I237-M464 WeakPolarHBondContact O-CA 3.47Å
238	F	98.9	Very high	97.3	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.3	178.8	65.6	-83.1	0	0	0	112.2	V195 I196 Q197 L198 F236 D240 Y243 F250 P290 F296	V195-F238 HydrophobicContact CB-CE1 4.3Å; I196-F238 VanDerWaalsContact O-CD1 3.31Å; I196-F238 WeakPolarHBondContact O-CD1 3.48Å; I196-F238 PolarHBondContact O-N 3.02Å; Q197-F238 HydrophobicContact CB-CE1 3.96Å; Q197-F238 HydrophobicContact CB-CE2 4Å; Q197-F238 HydrophobicContact CB-CZ 3.49Å; Q197-F238 VanDerWaalsContact CB-CZ 3.49Å; Q197-F238 HydrophobicContact CG-CE2 3.68Å; Q197-F238 HydrophobicContact CG-CZ 3.68Å; L198-F238 WeakPolarHBondContact CB-O 3.18Å; L198-F238 PolarHBondContact N-O 2.85Å; F236-F238 HydrophobicContact CD1-CB 4.5Å; F236-F238 AromaticContact CD1-CD1 3.94Å; F236-F238 HydrophobicContact CD1-CD1 3.94Å; F236-F238 HydrophobicContact CE1-CB 3.73Å; F236-F238 AromaticContact CE1-CD1 3.71Å; F236-F238 HydrophobicContact CE1-CD1 3.71Å; F236-F238 AromaticContact CE1-CG 3.91Å; F236-F238 HydrophobicContact CE1-CG 3.91Å; F236-F238 HydrophobicContact CE2-CB 4.25Å; F236-F238 HydrophobicContact CZ-CB 3.59Å; F236-F238 HydrophobicContact CZ-CD1 4.44Å; F236-F238 HydrophobicContact CZ-CG 4.27Å; F238-D240 WeakPolarHBondContact CE2-OD1 3.32Å; F238-Y243 HydrophobicContact CB-CG 4.17Å; F238-Y243 AromaticContact CD2-CD1 3.74Å; F238-Y243 HydrophobicContact CD2-CD1 3.74Å; F238-Y243 HydrophobicContact CD2-CG 4.03Å; F238-Y243 HydrophobicContact CE2-CD1 4.13Å; F238-Y243 HydrophobicContact CG-CD1 4.16Å; F238-Y243 HydrophobicContact CG-CG 4.28Å; F238-F250 AromaticContact CE2-CE2 3.72Å; F238-F250 HydrophobicContact CE2-CE2 3.72Å; F238-F250 AromaticContact CE2-CZ 3.74Å; F238-F250 HydrophobicContact CE2-CZ 3.74Å; F238-F250 AromaticContact CZ-CE2 3.91Å; F238-F250 HydrophobicContact CZ-CE2 3.91Å; F238-F250 HydrophobicContact CZ-CZ 4.24Å; F238-P290 HydrophobicContact CZ-CB 4.3Å; F238-P290 HydrophobicContact CZ-CG 3.92Å; F238-F296 HydrophobicContact CD1-CE1 4.04Å; F238-F296 AromaticContact CE1-CE1 3.6Å; F238-F296 HydrophobicContact CE1-CE1 3.6Å; F238-F296 AromaticContact CE1-CZ 3.7Å; F238-F296 HydrophobicContact CE1-CZ 3.7Å; F238-F296 AromaticContact CZ-CE1 3.87Å; F238-F296 HydrophobicContact CZ-CE1 3.87Å; F238-F296 AromaticContact CZ-CZ 3.81Å; F238-F296 HydrophobicContact CZ-CZ 3.81Å
239	S	98.8	Very high	97.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	137.6	163	147.8	0	0	0	0	108.4	D200 L241 D242 Y243	D200-S239 VanDerWaalsContact CG-OG 3.23Å; D200-S239 PolarHBondContact OD1-OG 3.12Å; D200-S239 VanDerWaalsContact OD2-CB 3.24Å; D200-S239 WeakPolarHBondContact OD2-CB 3.43Å; D200-S239 PolarHBondContact OD2-OG 3.26Å; S239-L241 PolarHBondContact OG-N 3.09Å; S239-D242 PolarHBondContact O-N 2.54Å; S239-D242 PolarHBondContact OG-N 2.95Å; S239-D242 VanDerWaalsContact OG-N 3.12Å; S239-Y243 WeakPolarHBondContact O-CB 3.01Å; S239-Y243 PolarHBondContact O-N 3.2Å
240	D	98.7	Very high	97.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-42.6	175.1	-79	-37.7	0	0	0	110.8	Q197 L198 T199 D200 D201 F238 D242 L244 I286	Q197-D240 WeakPolarHBondContact CG-OD1 3.48Å; Q197-D240 WeakPolarHBondContact CG-OD2 3.47Å; Q197-D240 VanDerWaalsContact NE2-CG 3.26Å; Q197-D240 PolarHBondContact NE2-OD1 2.96Å; Q197-D240 PolarHBondContact NE2-OD2 3.04Å; L198-D240 PolarHBondContact O-N 3.32Å; L198-D240 VanDerWaalsContact O-N 3.09Å; T199-D240 WeakPolarHBondContact CA-OD2 3.49Å; T199-D240 WeakPolarHBondContact CG2-OD2 3.32Å; D200-D240 PolarHBondContact OD1-N 3.37Å; D200-D240 VanDerWaalsContact OD1-N 3.13Å; D201-D240 HydrophobicContact CB-CB 4.27Å; D201-D240 VanDerWaalsContact CG-CB 3.43Å; D201-D240 WeakPolarHBondContact OD1-CB 3.14Å; F238-D240 WeakPolarHBondContact CE2-OD1 3.32Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 3.4Å; D240-L244 WeakPolarHBondContact O-CB 3.19Å; D240-L244 PolarHBondContact O-N 3.32Å; D240-L244 VanDerWaalsContact O-N 3.1Å; D240-I286 HydrophobicContact CB-CG2 4.49Å
241	L	97.5	Very high	97.2	Very high	64 Å²	64	39.1 Å²	39.1	34%	0.335	23%	0.231	S	C	.	.	H	α-helix	trans	-57.4	-39.8	176.9	-68.6	175.8	0	0	0	112.6	D200 D201 T211 S239	D200-L241 HydrophobicContact CB-CD1 4.13Å; D200-L241 HydrophobicContact CB-CG 4.5Å; D200-L241 WeakPolarHBondContact OD1-CG 3.42Å; D200-L241 PolarHBondContact OD1-N 2.78Å; D200-L241 VanDerWaalsContact OD1-N 3.09Å; D201-L241 HydrophobicContact CB-CD2 3.8Å; D201-L241 HydrophobicContact CB-CG 4.09Å; T211-L241 HydrophobicContact CG2-CD1 4.43Å; S239-L241 PolarHBondContact OG-N 3.09Å
242	D	97.9	Very high	97.2	Very high	82 Å²	82	42.9 Å²	42.9	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-80.6	-47.4	179.5	-76.6	-10.7	0	0	0	112.9	H215 S239 D240 G245	H215-D242 IonicContact CD2-OD1 2.72Å; H215-D242 IonicContact CD2-OD2 2.81Å; H215-D242 IonicContact CE1-OD2 3.79Å; H215-D242 VanDerWaalsContact NE2-CG 3.26Å; H215-D242 IonicContact NE2-OD1 3.17Å; H215-D242 PolarHBondContact NE2-OD1 3.49Å; H215-D242 IonicContact NE2-OD2 3.65Å; H215-D242 PolarHBondContact NE2-OD2 3.01Å; S239-D242 PolarHBondContact O-N 2.54Å; S239-D242 PolarHBondContact OG-N 2.95Å; S239-D242 VanDerWaalsContact OG-N 3.12Å; D240-D242 VanDerWaalsContact C-N 3.29Å; D240-D242 PolarHBondContact O-N 3.4Å; D242-G245 PolarHBondContact O-N 2.85Å
243	Y	98.4	Very high	97.2	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.02	24%	0.237	C	C	.	.	H	α-helix	trans	-74.8	-32.1	-169.1	-171.7	-121.4	0	0	0	112.6	F236 F238 S239 G245 T246 S247 F250 S295 F296 Q298 P466	F236-Y243 HydrophobicContact CE1-CD2 4.23Å; F236-Y243 HydrophobicContact CE1-CE1 4.28Å; F236-Y243 HydrophobicContact CE1-CE2 4Å; F236-Y243 AromaticContact CZ-CD2 3.76Å; F236-Y243 HydrophobicContact CZ-CD2 3.76Å; F236-Y243 AromaticContact CZ-CE2 3.77Å; F236-Y243 HydrophobicContact CZ-CE2 3.77Å; F236-Y243 HydrophobicContact CZ-CG 4.29Å; F238-Y243 HydrophobicContact CB-CG 4.17Å; F238-Y243 AromaticContact CD2-CD1 3.74Å; F238-Y243 HydrophobicContact CD2-CD1 3.74Å; F238-Y243 HydrophobicContact CD2-CG 4.03Å; F238-Y243 HydrophobicContact CE2-CD1 4.13Å; F238-Y243 HydrophobicContact CG-CD1 4.16Å; F238-Y243 HydrophobicContact CG-CG 4.28Å; S239-Y243 WeakPolarHBondContact O-CB 3.01Å; S239-Y243 PolarHBondContact O-N 3.2Å; Y243-G245 PolarHBondContact O-N 2.73Å; Y243-T246 WeakPolarHBondContact CD2-OG1 3.35Å; Y243-T246 PolarHBondContact O-N 2.71Å; Y243-T246 PolarHBondContact O-OG1 2.9Å; Y243-T246 VanDerWaalsContact O-OG1 3.08Å; Y243-S247 PolarHBondContact O-N 3.3Å; Y243-S247 WeakPolarHBondContact OH-CB 3.28Å; Y243-S247 PolarHBondContact OH-OG 3.44Å; Y243-S247 VanDerWaalsContact OH-OG 3.08Å; Y243-F250 HydrophobicContact CD1-CB 4.33Å; Y243-F250 AromaticContact CD1-CD2 3.77Å; Y243-F250 HydrophobicContact CD1-CD2 3.77Å; Y243-F250 HydrophobicContact CD1-CE2 4.19Å; Y243-F250 AromaticContact CD1-CG 3.99Å; Y243-F250 HydrophobicContact CD1-CG 3.99Å; Y243-F250 HydrophobicContact CE1-CB 3.98Å; Y243-F250 AromaticContact CE1-CD2 3.57Å; Y243-F250 HydrophobicContact CE1-CD2 3.57Å; Y243-F250 HydrophobicContact CE1-CE2 4.29Å; Y243-F250 AromaticContact CE1-CG 3.95Å; Y243-F250 HydrophobicContact CE1-CG 3.95Å; Y243-S295 PolarHBondContact OH-O 3.47Å; Y243-S295 VanDerWaalsContact OH-O 3.04Å; Y243-F296 HydrophobicContact CD1-CE1 4.28Å; Y243-F296 AromaticContact CE1-CD1 3.58Å; Y243-F296 HydrophobicContact CE1-CD1 3.58Å; Y243-F296 AromaticContact CE1-CE1 3.59Å; Y243-F296 HydrophobicContact CE1-CE1 3.59Å; Y243-F296 AromaticContact CZ-CD1 3.78Å; Y243-Q298 VanDerWaalsContact OH-CD 3.32Å; Y243-Q298 PolarHBondContact OH-NE2 2.65Å; Y243-Q298 PolarHBondContact OH-OE1 3.32Å; Y243-P466 HydrophobicContact CD2-CG 3.91Å; Y243-P466 HydrophobicContact CE2-CB 4.19Å; Y243-P466 HydrophobicContact CE2-CG 3.85Å
244	L	94.2	Very high	97.2	Very high	59 Å²	59	37.6 Å²	37.6	31%	0.309	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.9	178	-168.9	68.8	0	0	0	112	D240 T246 F250 Y251 I254	D240-L244 WeakPolarHBondContact O-CB 3.19Å; D240-L244 PolarHBondContact O-N 3.32Å; D240-L244 VanDerWaalsContact O-N 3.1Å; L244-T246 VanDerWaalsContact C-N 3.26Å; L244-T246 PolarHBondContact O-N 3.4Å; L244-F250 HydrophobicContact CD1-CD1 3.67Å; L244-F250 HydrophobicContact CD1-CE1 4.15Å; L244-Y251 HydrophobicContact CD1-CD2 4.06Å; L244-I254 HydrophobicContact CD1-CD1 3.38Å
245	G	90.6	Very high	97.2	Very high	75 Å²	75	38.6 Å²	38.6	77%	0.773	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.7	177.6	0	0	0	0	0	114.7	D242 Y243	D242-G245 PolarHBondContact O-N 2.85Å; Y243-G245 PolarHBondContact O-N 2.73Å
246	T	94.1	Very high	97.2	Very high	100 Å²	100	42.3 Å²	42.3	61%	0.613	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-16.1	-173.7	63.1	0	0	0	0	113.9	Y243 L244	Y243-T246 WeakPolarHBondContact CD2-OG1 3.35Å; Y243-T246 PolarHBondContact O-N 2.71Å; Y243-T246 PolarHBondContact O-OG1 2.9Å; Y243-T246 VanDerWaalsContact O-OG1 3.08Å; L244-T246 VanDerWaalsContact C-N 3.26Å; L244-T246 PolarHBondContact O-N 3.4Å
247	S	95.6	Very high	97.2	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.035	24%	0.243	C	C	.	.			trans	-116.1	104.2	-179	-176.1	0	0	0	0	113.5	Y243 G249 F250 Y251 S295	Y243-S247 PolarHBondContact O-N 3.3Å; Y243-S247 WeakPolarHBondContact OH-CB 3.28Å; Y243-S247 PolarHBondContact OH-OG 3.44Å; Y243-S247 VanDerWaalsContact OH-OG 3.08Å; S247-G249 PolarHBondContact O-N 2.97Å; S247-F250 PolarHBondContact O-N 2.99Å; S247-F250 WeakPolarHBondContact OG-CB 3.37Å; S247-F250 PolarHBondContact OG-N 2.99Å; S247-Y251 PolarHBondContact O-N 3.43Å; S247-S295 PolarHBondContact OG-O 3.37Å
248	A	92.4	Very high	97.2	Very high	66 Å²	66	45.8 Å²	45.8	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-29.5	171.3	0	0	0	0	0	112.7	K252	A248-K252 WeakPolarHBondContact O-CB 3.34Å; A248-K252 WeakPolarHBondContact O-CD 3.34Å; A248-K252 WeakPolarHBondContact O-CG 3.48Å; A248-K252 PolarHBondContact O-N 3.28Å; A248-K252 VanDerWaalsContact O-N 3.15Å
249	G	96.4	Very high	97.2	Very high	15 Å²	15	54.1 Å²	54.1	16%	0.155	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-44.5	176.9	0	0	0	0	0	111.9	S247 K252 N253 S294	S247-G249 PolarHBondContact O-N 2.97Å; G249-K252 PolarHBondContact O-N 3.33Å; G249-N253 PolarHBondContact O-N 2.81Å; G249-N253 VanDerWaalsContact O-N 3.12Å; G249-S294 WeakPolarHBondContact CA-O 3.42Å
250	F	98.1	Very high	97.2	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-53.2	179.4	-161.4	-94.8	0	0	0	111.5	F238 Y243 L244 S247 K252 N253 I254 I286 A289 P290 S295 F296	F238-F250 AromaticContact CE2-CE2 3.72Å; F238-F250 HydrophobicContact CE2-CE2 3.72Å; F238-F250 AromaticContact CE2-CZ 3.74Å; F238-F250 HydrophobicContact CE2-CZ 3.74Å; F238-F250 AromaticContact CZ-CE2 3.91Å; F238-F250 HydrophobicContact CZ-CE2 3.91Å; F238-F250 HydrophobicContact CZ-CZ 4.24Å; Y243-F250 HydrophobicContact CD1-CB 4.33Å; Y243-F250 AromaticContact CD1-CD2 3.77Å; Y243-F250 HydrophobicContact CD1-CD2 3.77Å; Y243-F250 HydrophobicContact CD1-CE2 4.19Å; Y243-F250 AromaticContact CD1-CG 3.99Å; Y243-F250 HydrophobicContact CD1-CG 3.99Å; Y243-F250 HydrophobicContact CE1-CB 3.98Å; Y243-F250 AromaticContact CE1-CD2 3.57Å; Y243-F250 HydrophobicContact CE1-CD2 3.57Å; Y243-F250 HydrophobicContact CE1-CE2 4.29Å; Y243-F250 AromaticContact CE1-CG 3.95Å; Y243-F250 HydrophobicContact CE1-CG 3.95Å; L244-F250 HydrophobicContact CD1-CD1 3.67Å; L244-F250 HydrophobicContact CD1-CE1 4.15Å; S247-F250 PolarHBondContact O-N 2.99Å; S247-F250 WeakPolarHBondContact OG-CB 3.37Å; S247-F250 PolarHBondContact OG-N 2.99Å; F250-K252 PolarHBondContact O-N 3.28Å; F250-N253 PolarHBondContact O-N 2.71Å; F250-I254 HydrophobicContact CD1-CD1 3.57Å; F250-I254 HydrophobicContact CD1-CG1 4.42Å; F250-I254 HydrophobicContact CE1-CD1 3.61Å; F250-I254 HydrophobicContact CE1-CG1 4.45Å; F250-I254 PolarHBondContact O-N 3.14Å; F250-I286 HydrophobicContact CE1-CG2 4.29Å; F250-A289 HydrophobicContact CE2-CB 4.42Å; F250-A289 HydrophobicContact CZ-CB 4.38Å; F250-P290 HydrophobicContact CE2-CG 3.82Å; F250-P290 HydrophobicContact CZ-CG 4.02Å; F250-S295 PolarHBondContact N-O 2.9Å; F250-F296 HydrophobicContact CD2-CE1 4.25Å; F250-F296 HydrophobicContact CD2-CZ 4.37Å; F250-F296 HydrophobicContact CE2-CE1 4.27Å; F250-F296 HydrophobicContact CE2-CZ 4.14Å
251	Y	98.4	Very high	97.1	Very high	130 Å²	130	58 Å²	58	51%	0.51	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-38.4	179	-174.9	-111.4	0	0	0	113.1	L244 S247 N253 I254 V255	L244-Y251 HydrophobicContact CD1-CD2 4.06Å; S247-Y251 PolarHBondContact O-N 3.43Å; Y251-N253 VanDerWaalsContact C-N 3.29Å; Y251-N253 PolarHBondContact O-N 3.43Å; Y251-I254 WeakPolarHBondContact O-CB 3.37Å; Y251-I254 PolarHBondContact O-N 3.36Å; Y251-V255 HydrophobicContact CD1-CG2 4.17Å; Y251-V255 HydrophobicContact CE1-CG2 3.71Å; Y251-V255 HydrophobicContact CE2-CG2 4.11Å; Y251-V255 WeakPolarHBondContact O-CG2 3.34Å; Y251-V255 PolarHBondContact O-N 2.97Å
252	K	98.1	Very high	97.2	Very high	133 Å²	133	58.6 Å²	58.6	58%	0.578	32%	0.322	S	S	*	.	H	α-helix	trans	-58.5	-41.3	175.1	-78.2	170.9	-174.6	179.4	0	111.9	A248 G249 F250 V255 K256	A248-K252 WeakPolarHBondContact O-CB 3.34Å; A248-K252 WeakPolarHBondContact O-CD 3.34Å; A248-K252 WeakPolarHBondContact O-CG 3.48Å; A248-K252 PolarHBondContact O-N 3.28Å; A248-K252 VanDerWaalsContact O-N 3.15Å; G249-K252 PolarHBondContact O-N 3.33Å; F250-K252 PolarHBondContact O-N 3.28Å; K252-V255 PolarHBondContact O-N 3.4Å; K252-K256 VanDerWaalsContact O-CG 3.32Å; K252-K256 WeakPolarHBondContact O-CG 3.48Å; K252-K256 PolarHBondContact O-N 3.22Å
253	N	98.5	Very high	97.2	Very high	2 Å²	2	58 Å²	58	1%	0.011	32%	0.315	C	S	.	.	H	α-helix	trans	-69.7	-38.8	177	-78.1	-18.8	0	0	0	112.2	G249 F250 Y251 V255 K256 I257 A289 S294 S295	G249-N253 PolarHBondContact O-N 2.81Å; G249-N253 VanDerWaalsContact O-N 3.12Å; F250-N253 PolarHBondContact O-N 2.71Å; Y251-N253 VanDerWaalsContact C-N 3.29Å; Y251-N253 PolarHBondContact O-N 3.43Å; N253-V255 VanDerWaalsContact C-N 3.34Å; N253-V255 PolarHBondContact O-N 3.4Å; N253-K256 PolarHBondContact O-N 3.31Å; N253-I257 VanDerWaalsContact O-CD1 3.26Å; N253-I257 WeakPolarHBondContact O-CD1 3.48Å; N253-I257 WeakPolarHBondContact O-CG1 3.41Å; N253-I257 PolarHBondContact O-N 3.44Å; N253-A289 HydrophobicContact CB-CB 4.25Å; N253-S294 PolarHBondContact ND2-OG 3.2Å; N253-S295 PolarHBondContact ND2-N 3.27Å; N253-S295 PolarHBondContact ND2-OG 2.84Å
254	I	98.8	Very high	97.2	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-54.5	-51	171.6	-69.2	165.9	0	0	0	110.6	L244 F250 Y251 K256 I257 Q258 A285 I286 A289	L244-I254 HydrophobicContact CD1-CD1 3.38Å; F250-I254 HydrophobicContact CD1-CD1 3.57Å; F250-I254 HydrophobicContact CD1-CG1 4.42Å; F250-I254 HydrophobicContact CE1-CD1 3.61Å; F250-I254 HydrophobicContact CE1-CG1 4.45Å; F250-I254 PolarHBondContact O-N 3.14Å; Y251-I254 WeakPolarHBondContact O-CB 3.37Å; Y251-I254 PolarHBondContact O-N 3.36Å; I254-K256 PolarHBondContact O-N 3.47Å; I254-I257 PolarHBondContact O-N 3.03Å; I254-I257 VanDerWaalsContact O-N 3.14Å; I254-Q258 HydrophobicContact CG2-CG 4.19Å; I254-Q258 WeakPolarHBondContact O-CB 3.22Å; I254-Q258 VanDerWaalsContact O-CG 3.32Å; I254-Q258 WeakPolarHBondContact O-CG 3.28Å; I254-Q258 PolarHBondContact O-N 3.37Å; I254-A285 HydrophobicContact CG2-CB 4.17Å; I254-I286 HydrophobicContact CD1-CB 4.45Å; I254-I286 HydrophobicContact CD1-CG1 4.02Å; I254-I286 HydrophobicContact CD1-CG2 4.44Å; I254-I286 HydrophobicContact CG1-CG1 4.39Å; I254-I286 HydrophobicContact CG2-CG1 4.4Å; I254-A289 HydrophobicContact CG1-CB 3.74Å
255	V	98.8	Very high	97.3	Very high	65 Å²	65	64 Å²	64	39%	0.394	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-41.9	180	174.7	0	0	0	0	111.7	Y251 K252 N253 I257 Q258 K259	Y251-V255 HydrophobicContact CD1-CG2 4.17Å; Y251-V255 HydrophobicContact CE1-CG2 3.71Å; Y251-V255 HydrophobicContact CE2-CG2 4.11Å; Y251-V255 WeakPolarHBondContact O-CG2 3.34Å; Y251-V255 PolarHBondContact O-N 2.97Å; K252-V255 PolarHBondContact O-N 3.4Å; N253-V255 VanDerWaalsContact C-N 3.34Å; N253-V255 PolarHBondContact O-N 3.4Å; V255-I257 VanDerWaalsContact C-N 3.3Å; V255-I257 PolarHBondContact O-N 2.96Å; V255-Q258 PolarHBondContact O-N 3.12Å; V255-K259 PolarHBondContact O-N 3.41Å; V255-K259 VanDerWaalsContact O-N 3.11Å
256	K	98.7	Very high	97.7	Very high	78 Å²	78	60.7 Å²	60.7	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-58	-43.7	174.1	-75.8	175.2	-176.5	177.4	0	111.1	K252 N253 I254 H260 I330	K252-K256 VanDerWaalsContact O-CG 3.32Å; K252-K256 WeakPolarHBondContact O-CG 3.48Å; K252-K256 PolarHBondContact O-N 3.22Å; N253-K256 PolarHBondContact O-N 3.31Å; I254-K256 PolarHBondContact O-N 3.47Å; K256-H260 PolarHBondContact O-ND1 2.85Å; K256-I330 HydrophobicContact CB-CG2 4.09Å
257	I	98.8	Very high	97.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-47.6	-178.8	-64.1	155.6	0	0	0	110.7	N253 I254 V255 K259 H260 V261 A285 A288 A289 F292 V326 I330	N253-I257 VanDerWaalsContact O-CD1 3.26Å; N253-I257 WeakPolarHBondContact O-CD1 3.48Å; N253-I257 WeakPolarHBondContact O-CG1 3.41Å; N253-I257 PolarHBondContact O-N 3.44Å; I254-I257 PolarHBondContact O-N 3.03Å; I254-I257 VanDerWaalsContact O-N 3.14Å; V255-I257 VanDerWaalsContact C-N 3.3Å; V255-I257 PolarHBondContact O-N 2.96Å; I257-K259 PolarHBondContact O-N 3.34Å; I257-H260 PolarHBondContact O-N 2.9Å; I257-V261 HydrophobicContact CG2-CG2 4.18Å; I257-V261 PolarHBondContact O-N 3.38Å; I257-A285 HydrophobicContact CB-CB 4.03Å; I257-A285 HydrophobicContact CG2-CB 3.74Å; I257-A288 HydrophobicContact CD1-CB 3.83Å; I257-A288 HydrophobicContact CG2-CB 4.16Å; I257-A289 HydrophobicContact CD1-CB 4.07Å; I257-F292 HydrophobicContact CD1-CD2 4.15Å; I257-F292 HydrophobicContact CD1-CE2 3.75Å; I257-F292 HydrophobicContact CG1-CE2 4.14Å; I257-V326 HydrophobicContact CB-CG1 4.35Å; I257-V326 HydrophobicContact CG1-CG1 4.07Å; I257-V326 HydrophobicContact CG2-CG1 4.27Å; I257-I330 HydrophobicContact CG1-CD1 4.22Å
258	Q	98.8	Very high	97.6	Very high	73 Å²	73	62.3 Å²	62.3	34%	0.341	33%	0.329	S	S	.	.	H	α-helix	trans	-54.5	-38.2	177.9	-74.1	176.3	-16.6	0	0	112.2	I254 V255 H260 V261 A285	I254-Q258 HydrophobicContact CG2-CG 4.19Å; I254-Q258 WeakPolarHBondContact O-CB 3.22Å; I254-Q258 VanDerWaalsContact O-CG 3.32Å; I254-Q258 WeakPolarHBondContact O-CG 3.28Å; I254-Q258 PolarHBondContact O-N 3.37Å; V255-Q258 PolarHBondContact O-N 3.12Å; Q258-H260 PolarHBondContact O-N 2.92Å; Q258-V261 PolarHBondContact O-N 2.94Å; Q258-A285 HydrophobicContact CG-CB 3.5Å; Q258-A285 VanDerWaalsContact CG-CB 3.5Å
259	K	98.7	Very high	97.6	Very high	177 Å²	177	62.2 Å²	62.2	77%	0.77	32%	0.318	S	S	*	.	H	α-helix	trans	-62.1	-26.4	176.5	-175.1	175.3	179.3	-178.9	0	113.7	V255 I257	V255-K259 PolarHBondContact O-N 3.41Å; V255-K259 VanDerWaalsContact O-N 3.11Å; I257-K259 PolarHBondContact O-N 3.34Å
260	H	98.8	Very high	97.5	Very high	57 Å²	57	62 Å²	62	26%	0.264	31%	0.313	S	S	.	.	H	α-helix	trans	-108.8	5	-172.9	-62.6	90.9	0	0	0	113.9	K256 I257 Q258 V326	K256-H260 PolarHBondContact O-ND1 2.85Å; I257-H260 PolarHBondContact O-N 2.9Å; Q258-H260 PolarHBondContact O-N 2.92Å; H260-V326 HydrophobicContact CB-CG1 4.2Å; H260-V326 HydrophobicContact CB-CG2 4.37Å
261	V	98.4	Very high	97.3	Very high	26 Å²	26	64.6 Å²	64.6	16%	0.158	34%	0.341	C	S	.	.			trans	-122.6	113.7	175.9	-177.7	0	0	0	0	108.8	I257 Q258 Q265 V266 M322 V326	I257-V261 HydrophobicContact CG2-CG2 4.18Å; I257-V261 PolarHBondContact O-N 3.38Å; Q258-V261 PolarHBondContact O-N 2.94Å; V261-Q265 HydrophobicContact CG1-CB 4.41Å; V261-V266 HydrophobicContact CG1-CG1 3.55Å; V261-M322 HydrophobicContact CB-SD 4.43Å; V261-M322 HydrophobicContact CG1-CG 4.38Å; V261-M322 HydrophobicContact CG1-SD 3.71Å; V261-M322 HydrophobicContact CG2-CE 4.49Å; V261-M322 HydrophobicContact CG2-CG 4.03Å; V261-M322 HydrophobicContact CG2-SD 3.89Å; V261-V326 HydrophobicContact CG2-CG2 3.51Å
262	T	98.4	Very high	97.2	Very high	78 Å²	78	58.9 Å²	58.9	48%	0.479	32%	0.318	S	S	.	.			trans	-81.3	157.8	177.8	65.3	0	0	0	0	111.5	N264 Q265 V266	T262-N264 VanDerWaalsContact C-N 3.31Å; T262-N264 PolarHBondContact O-N 3.47Å; T262-Q265 WeakPolarHBondContact O-CB 3.32Å; T262-Q265 PolarHBondContact O-N 2.68Å; T262-Q265 VanDerWaalsContact O-N 3.12Å; T262-Q265 VanDerWaalsContact OG1-CG 3.31Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.45Å; T262-Q265 PolarHBondContact OG1-N 3.18Å; T262-Q265 PolarHBondContact OG1-OE1 3.45Å; T262-V266 PolarHBondContact O-N 3.41Å
263	F	98.4	Very high	97.1	Very high	68 Å²	68	55.5 Å²	55.5	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-57.8	-43.7	174.9	-178.9	-146.5	0	0	0	112.1	Q265 V266 K267 F272 D274 I281	F263-Q265 PolarHBondContact O-N 2.9Å; F263-V266 HydrophobicContact CD2-CG2 3.72Å; F263-V266 HydrophobicContact CE2-CG2 4.42Å; F263-V266 WeakPolarHBondContact O-CG2 3.24Å; F263-V266 PolarHBondContact O-N 2.97Å; F263-K267 HydrophobicContact CD1-CD 4.13Å; F263-K267 HydrophobicContact CD2-CD 4.27Å; F263-K267 HydrophobicContact CD2-CG 3.81Å; F263-K267 HydrophobicContact CE1-CD 3.82Å; F263-K267 HydrophobicContact CE1-CG 4.32Å; F263-K267 HydrophobicContact CE2-CD 3.93Å; F263-K267 HydrophobicContact CE2-CG 3.49Å; F263-K267 VanDerWaalsContact CE2-CG 3.49Å; F263-K267 HydrophobicContact CG-CD 4.36Å; F263-K267 HydrophobicContact CG-CG 4.33Å; F263-K267 HydrophobicContact CZ-CD 3.69Å; F263-K267 HydrophobicContact CZ-CG 3.78Å; F263-K267 WeakPolarHBondContact O-CG 3.34Å; F263-K267 PolarHBondContact O-N 3.13Å; F263-F272 HydrophobicContact CE2-CB 4.3Å; F263-D274 WeakPolarHBondContact CE1-OD1 3.49Å; F263-D274 WeakPolarHBondContact CZ-OD1 3.37Å; F263-I281 HydrophobicContact CD2-CD1 4.24Å; F263-I281 HydrophobicContact CD2-CG1 4.38Å; F263-I281 HydrophobicContact CD2-CG2 3.58Å; F263-I281 HydrophobicContact CE2-CD1 3.72Å; F263-I281 HydrophobicContact CE2-CG1 3.91Å; F263-I281 HydrophobicContact CE2-CG2 4.01Å; F263-I281 HydrophobicContact CG-CG2 4.39Å; F263-I281 HydrophobicContact CZ-CD1 4Å
264	N	97.8	Very high	97	Very high	125 Å²	125	61.2 Å²	61.2	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-56	-35.6	176.8	-74.4	-15.2	0	0	0	113.2	T262 G268	T262-N264 VanDerWaalsContact C-N 3.31Å; T262-N264 PolarHBondContact O-N 3.47Å; N264-G268 PolarHBondContact O-N 3.15Å; N264-G268 VanDerWaalsContact O-N 3.09Å
265	Q	97.8	Very high	97	Very high	67 Å²	67	66.3 Å²	66.3	31%	0.313	38%	0.375	S	S	.	.	H	α-helix	trans	-67.3	-46.2	176	-71.7	167.7	-70	0	0	111.3	V261 T262 F263 K267 G268 I269	V261-Q265 HydrophobicContact CG1-CB 4.41Å; T262-Q265 WeakPolarHBondContact O-CB 3.32Å; T262-Q265 PolarHBondContact O-N 2.68Å; T262-Q265 VanDerWaalsContact O-N 3.12Å; T262-Q265 VanDerWaalsContact OG1-CG 3.31Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.45Å; T262-Q265 PolarHBondContact OG1-N 3.18Å; T262-Q265 PolarHBondContact OG1-OE1 3.45Å; F263-Q265 PolarHBondContact O-N 2.9Å; Q265-K267 VanDerWaalsContact C-N 3.32Å; Q265-K267 PolarHBondContact O-N 3.11Å; Q265-G268 PolarHBondContact O-N 3.08Å; Q265-G268 VanDerWaalsContact O-N 3.17Å; Q265-I269 HydrophobicContact CB-CD1 4.44Å; Q265-I269 WeakPolarHBondContact O-CB 3.5Å; Q265-I269 WeakPolarHBondContact O-CD1 3.48Å; Q265-I269 WeakPolarHBondContact O-CG1 3.29Å; Q265-I269 PolarHBondContact O-N 3.2Å
266	V	97.1	Very high	96.9	Very high	4 Å²	4	65 Å²	65	2%	0.024	37%	0.366	C	S	.	.	H	α-helix	trans	-70.4	-27.5	178.5	-61	0	0	0	0	112.7	V261 T262 F263 F270 F272 I281 P284 M322	V261-V266 HydrophobicContact CG1-CG1 3.55Å; T262-V266 PolarHBondContact O-N 3.41Å; F263-V266 HydrophobicContact CD2-CG2 3.72Å; F263-V266 HydrophobicContact CE2-CG2 4.42Å; F263-V266 WeakPolarHBondContact O-CG2 3.24Å; F263-V266 PolarHBondContact O-N 2.97Å; V266-F270 HydrophobicContact CB-CD2 3.86Å; V266-F270 HydrophobicContact CB-CE2 4.43Å; V266-F270 HydrophobicContact CG1-CD2 4.06Å; V266-F270 HydrophobicContact CG1-CE2 4.13Å; V266-F270 WeakPolarHBondContact O-CA 3.23Å; V266-F270 WeakPolarHBondContact O-CB 3.34Å; V266-F270 PolarHBondContact O-N 3.37Å; V266-F272 HydrophobicContact CB-CD2 3.9Å; V266-F272 HydrophobicContact CB-CE2 4.26Å; V266-F272 HydrophobicContact CG2-CD2 3.94Å; V266-I281 HydrophobicContact CG2-CG2 4.04Å; V266-P284 HydrophobicContact CG1-CG 4.24Å; V266-M322 HydrophobicContact CG1-SD 4.38Å
267	K	95.7	Very high	96.9	Very high	68 Å²	68	64.1 Å²	64.1	30%	0.296	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-46.1	167.4	-63.6	-176.9	72	161.4	0	111.1	F263 Q265 G271 F272 D274	F263-K267 HydrophobicContact CD1-CD 4.13Å; F263-K267 HydrophobicContact CD2-CD 4.27Å; F263-K267 HydrophobicContact CD2-CG 3.81Å; F263-K267 HydrophobicContact CE1-CD 3.82Å; F263-K267 HydrophobicContact CE1-CG 4.32Å; F263-K267 HydrophobicContact CE2-CD 3.93Å; F263-K267 HydrophobicContact CE2-CG 3.49Å; F263-K267 VanDerWaalsContact CE2-CG 3.49Å; F263-K267 HydrophobicContact CG-CD 4.36Å; F263-K267 HydrophobicContact CG-CG 4.33Å; F263-K267 HydrophobicContact CZ-CD 3.69Å; F263-K267 HydrophobicContact CZ-CG 3.78Å; F263-K267 WeakPolarHBondContact O-CG 3.34Å; F263-K267 PolarHBondContact O-N 3.13Å; Q265-K267 VanDerWaalsContact C-N 3.32Å; Q265-K267 PolarHBondContact O-N 3.11Å; K267-G271 WeakPolarHBondContact O-CA 3.36Å; K267-G271 PolarHBondContact O-N 3.14Å; K267-F272 VanDerWaalsContact CG-O 3.29Å; K267-F272 WeakPolarHBondContact CG-O 3.16Å; K267-D274 IonicContact NZ-OD1 2.9Å; K267-D274 PolarHBondContact NZ-OD1 2.62Å; K267-D274 IonicContact NZ-OD2 2.78Å
268	G	93.8	Very high	96.9	Very high	71 Å²	71	71 Å²	71	73%	0.732	41%	0.405	S	S	*	.	H	α-helix	trans	-70.7	-34.4	179.8	0	0	0	0	0	114.3	N264 Q265	N264-G268 PolarHBondContact O-N 3.15Å; N264-G268 VanDerWaalsContact O-N 3.09Å; Q265-G268 PolarHBondContact O-N 3.08Å; Q265-G268 VanDerWaalsContact O-N 3.17Å
269	I	92.1	Very high	96.9	Very high	64 Å²	64	68.4 Å²	68.4	33%	0.328	40%	0.397	S	S	.	.	H	α-helix	trans	-84.3	-41.5	-176.8	-64.1	165.4	0	0	0	111.6	Q265 P318 M322	Q265-I269 HydrophobicContact CB-CD1 4.44Å; Q265-I269 WeakPolarHBondContact O-CB 3.5Å; Q265-I269 WeakPolarHBondContact O-CD1 3.48Å; Q265-I269 WeakPolarHBondContact O-CG1 3.29Å; Q265-I269 PolarHBondContact O-N 3.2Å; I269-P318 HydrophobicContact CG2-CB 3.74Å; I269-M322 HydrophobicContact CD1-CB 4.1Å; I269-M322 HydrophobicContact CD1-CG 4.17Å
270	F	93.8	Very high	96.9	Very high	10 Å²	10	62 Å²	62	4%	0.044	37%	0.369	C	S	.	.	H	α-helix	trans	-117	-2.5	-169.2	-59.9	-71.4	0	0	0	113.9	P90 W91 V266 F272 P284 P318 Y319 M322	P90-F270 HydrophobicContact CG-CD1 4.28Å; P90-F270 HydrophobicContact CG-CE1 4.34Å; W91-F270 HydrophobicContact CH2-CB 3.8Å; W91-F270 AromaticContact CH2-CD1 3.87Å; W91-F270 HydrophobicContact CH2-CD1 3.87Å; W91-F270 HydrophobicContact CH2-CG 4.19Å; W91-F270 HydrophobicContact CZ3-CB 3.95Å; W91-F270 HydrophobicContact CZ3-CD1 4.2Å; W91-F270 WeakPolarHBondContact CZ3-O 3.47Å; V266-F270 HydrophobicContact CB-CD2 3.86Å; V266-F270 HydrophobicContact CB-CE2 4.43Å; V266-F270 HydrophobicContact CG1-CD2 4.06Å; V266-F270 HydrophobicContact CG1-CE2 4.13Å; V266-F270 WeakPolarHBondContact O-CA 3.23Å; V266-F270 WeakPolarHBondContact O-CB 3.34Å; V266-F270 PolarHBondContact O-N 3.37Å; F270-F272 VanDerWaalsContact C-N 3.26Å; F270-F272 HydrophobicContact CB-CD1 4.38Å; F270-F272 HydrophobicContact CB-CD2 4Å; F270-F272 HydrophobicContact CB-CE1 4.13Å; F270-F272 HydrophobicContact CB-CE2 3.76Å; F270-F272 HydrophobicContact CB-CG 4.3Å; F270-F272 HydrophobicContact CB-CZ 3.82Å; F270-F272 HydrophobicContact CD2-CE2 4.07Å; F270-F272 HydrophobicContact CG-CE2 4.11Å; F270-F272 HydrophobicContact CG-CZ 4.27Å; F270-F272 PolarHBondContact O-N 3.3Å; F270-P284 HydrophobicContact CD2-CG 3.9Å; F270-P284 HydrophobicContact CE2-CB 3.7Å; F270-P284 HydrophobicContact CE2-CG 3.54Å; F270-P284 HydrophobicContact CZ-CB 3.96Å; F270-P284 HydrophobicContact CZ-CG 4.02Å; F270-P318 HydrophobicContact CE1-CB 4.02Å; F270-Y319 HydrophobicContact CD1-CE1 4.37Å; F270-Y319 AromaticContact CE1-CD1 3.62Å; F270-Y319 HydrophobicContact CE1-CD1 3.62Å; F270-Y319 AromaticContact CE1-CD2 3.95Å; F270-Y319 HydrophobicContact CE1-CD2 3.95Å; F270-Y319 AromaticContact CE1-CE1 3.55Å; F270-Y319 HydrophobicContact CE1-CE1 3.55Å; F270-Y319 AromaticContact CE1-CE2 3.89Å; F270-Y319 HydrophobicContact CE1-CE2 3.89Å; F270-Y319 AromaticContact CE1-CG 3.82Å; F270-Y319 HydrophobicContact CE1-CG 3.82Å; F270-Y319 AromaticContact CE1-CZ 3.69Å; F270-Y319 AromaticContact CZ-CD1 3.47Å; F270-Y319 HydrophobicContact CZ-CD1 3.47Å; F270-Y319 VanDerWaalsContact CZ-CD1 3.47Å; F270-Y319 AromaticContact CZ-CE1 3.69Å; F270-Y319 HydrophobicContact CZ-CE1 3.69Å; F270-Y319 AromaticContact CZ-CG 3.93Å; F270-Y319 HydrophobicContact CZ-CG 3.93Å; F270-M322 HydrophobicContact CE2-SD 4.07Å
271	G	94.1	Very high	96.9	Very high	57 Å²	57	61.1 Å²	61.1	59%	0.588	37%	0.366	S	S	*	.			trans	70.9	16.9	179.7	0	0	0	0	0	114.7	K267	K267-G271 WeakPolarHBondContact O-CA 3.36Å; K267-G271 PolarHBondContact O-N 3.14Å
272	F	95.2	Very high	96.9	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.044	37%	0.373	C	S	.	.			trans	-61.2	151	176.1	-62.8	-36.5	0	0	0	112	W91 W206 F263 V266 K267 F270 K280 P284	W91-F272 AromaticContact CH2-CE1 3.65Å; W91-F272 HydrophobicContact CH2-CE1 3.65Å; W91-F272 AromaticContact CH2-CZ 3.78Å; W91-F272 HydrophobicContact CH2-CZ 3.78Å; W91-F272 HydrophobicContact CZ2-CE1 4.09Å; W91-F272 HydrophobicContact CZ2-CZ 4.21Å; W91-F272 HydrophobicContact CZ3-CE1 4.48Å; W206-F272 HydrophobicContact CH2-CE1 4.49Å; W206-F272 HydrophobicContact CH2-CZ 4.14Å; W206-F272 AromaticContact CZ2-CE1 3.72Å; W206-F272 HydrophobicContact CZ2-CE1 3.72Å; W206-F272 AromaticContact CZ2-CZ 3.75Å; W206-F272 HydrophobicContact CZ2-CZ 3.75Å; F263-F272 HydrophobicContact CE2-CB 4.3Å; V266-F272 HydrophobicContact CB-CD2 3.9Å; V266-F272 HydrophobicContact CB-CE2 4.26Å; V266-F272 HydrophobicContact CG2-CD2 3.94Å; K267-F272 VanDerWaalsContact CG-O 3.29Å; K267-F272 WeakPolarHBondContact CG-O 3.16Å; F270-F272 VanDerWaalsContact C-N 3.26Å; F270-F272 HydrophobicContact CB-CD1 4.38Å; F270-F272 HydrophobicContact CB-CD2 4Å; F270-F272 HydrophobicContact CB-CE1 4.13Å; F270-F272 HydrophobicContact CB-CE2 3.76Å; F270-F272 HydrophobicContact CB-CG 4.3Å; F270-F272 HydrophobicContact CB-CZ 3.82Å; F270-F272 HydrophobicContact CD2-CE2 4.07Å; F270-F272 HydrophobicContact CG-CE2 4.11Å; F270-F272 HydrophobicContact CG-CZ 4.27Å; F270-F272 PolarHBondContact O-N 3.3Å; F272-K280 HydrophobicContact CE1-CB 4.44Å; F272-K280 WeakPolarHBondContact CE2-O 3.47Å; F272-K280 WeakPolarHBondContact CZ-O 3.46Å; F272-P284 HydrophobicContact CE2-CG 4.03Å
273	T	97.1	Very high	96.9	Very high	62 Å²	62	58.2 Å²	58.2	38%	0.38	35%	0.35	S	S	.	.			trans	-119.3	167.8	178.9	68.7	0	0	0	0	111.1	S275 D276	T273-S275 PolarHBondContact O-N 3.39Å; T273-S275 VanDerWaalsContact O-N 3.1Å; T273-S275 PolarHBondContact OG1-N 3.08Å; T273-S275 PolarHBondContact OG1-OG 3.31Å; T273-D276 PolarHBondContact N-OD2 2.98Å; T273-D276 PolarHBondContact O-N 3.05Å; T273-D276 VanDerWaalsContact O-N 3.08Å; T273-D276 PolarHBondContact OG1-OD2 3.44Å; T273-D276 VanDerWaalsContact OG1-OD2 3.14Å
274	D	96.8	Very high	96.9	Very high	121 Å²	121	55 Å²	55	65%	0.647	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.7	179.9	-51	-26.7	0	0	0	112.4	F263 K267	F263-D274 WeakPolarHBondContact CE1-OD1 3.49Å; F263-D274 WeakPolarHBondContact CZ-OD1 3.37Å; K267-D274 IonicContact NZ-OD1 2.9Å; K267-D274 PolarHBondContact NZ-OD1 2.62Å; K267-D274 IonicContact NZ-OD2 2.78Å
275	S	97.8	Very high	97	Very high	111 Å²	111	49.4 Å²	49.4	78%	0.776	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.1	174.7	63.5	0	0	0	0	114.8	T273	T273-S275 PolarHBondContact O-N 3.39Å; T273-S275 VanDerWaalsContact O-N 3.1Å; T273-S275 PolarHBondContact OG1-N 3.08Å; T273-S275 PolarHBondContact OG1-OG 3.31Å
276	D	98	Very high	97	Very high	37 Å²	37	47.1 Å²	47.1	20%	0.198	30%	0.297	C	S	.	.	S	Bend	trans	-70	146	175.2	-76.4	-67.6	0	0	0	111.2	T273 K280 I281	T273-D276 PolarHBondContact N-OD2 2.98Å; T273-D276 PolarHBondContact O-N 3.05Å; T273-D276 VanDerWaalsContact O-N 3.08Å; T273-D276 PolarHBondContact OG1-OD2 3.44Å; T273-D276 VanDerWaalsContact OG1-OD2 3.14Å; D276-K280 HydrophobicContact CB-CD 4.35Å; D276-K280 IonicContact OD1-NZ 3.29Å; D276-K280 PolarHBondContact OD1-NZ 3.42Å; D276-I281 HydrophobicContact CB-CG1 4.38Å
277	C	98.6	Very high	97.1	Very high	61 Å²	61	47.4 Å²	47.4	41%	0.412	30%	0.298	S	S	.	.			trans	-68.7	150	178.5	72.3	0	0	0	0	111.2	G279 K280 I281	C277-G279 PolarHBondContact O-N 3.36Å; C277-K280 PolarHBondContact O-N 3.2Å; C277-I281 PolarHBondContact O-N 3.4Å
278	I	98.6	Very high	97.3	Very high	145 Å²	145	44.2 Å²	44.2	74%	0.744	28%	0.284	S	S	*	.	H	α-helix	trans	-59	-24.6	-177.4	62	173.5	0	0	0	113.4	S282	I278-S282 WeakPolarHBondContact O-CB 3.49Å; I278-S282 PolarHBondContact O-N 2.91Å; I278-S282 VanDerWaalsContact O-N 3.11Å; I278-S282 PolarHBondContact O-OG 3.31Å
279	G	98.5	Very high	97.5	Very high	17 Å²	17	40.8 Å²	40.8	18%	0.175	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-49	173.3	0	0	0	0	0	111.6	C277 I281 S282 F283	C277-G279 PolarHBondContact O-N 3.36Å; G279-I281 PolarHBondContact O-N 2.68Å; G279-S282 PolarHBondContact O-N 3.32Å; G279-S282 PolarHBondContact O-OG 3.11Å; G279-F283 WeakPolarHBondContact O-CB 3.46Å; G279-F283 PolarHBondContact O-N 3.3Å
280	K	98.5	Very high	97.8	Very high	44 Å²	44	37.8 Å²	37.8	19%	0.191	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-44.4	176.3	-69.6	-177.4	-178.5	179.5	0	112.2	L205 W206 F272 D276 C277 S282 F283 P284	L205-K280 HydrophobicContact CB-CG 4.41Å; L205-K280 VanDerWaalsContact O-CE 3.26Å; L205-K280 WeakPolarHBondContact O-CE 3.26Å; W206-K280 HydrophobicContact CD2-CD 4.23Å; W206-K280 HydrophobicContact CD2-CG 3.95Å; W206-K280 HydrophobicContact CE3-CG 3.84Å; W206-K280 HydrophobicContact CH2-CB 3.71Å; W206-K280 HydrophobicContact CH2-CG 3.75Å; W206-K280 HydrophobicContact CZ2-CB 3.89Å; W206-K280 HydrophobicContact CZ2-CD 4.17Å; W206-K280 HydrophobicContact CZ2-CG 3.8Å; W206-K280 HydrophobicContact CZ3-CB 4.13Å; W206-K280 HydrophobicContact CZ3-CG 3.77Å; F272-K280 HydrophobicContact CE1-CB 4.44Å; F272-K280 WeakPolarHBondContact CE2-O 3.47Å; F272-K280 WeakPolarHBondContact CZ-O 3.46Å; D276-K280 HydrophobicContact CB-CD 4.35Å; D276-K280 IonicContact OD1-NZ 3.29Å; D276-K280 PolarHBondContact OD1-NZ 3.42Å; C277-K280 PolarHBondContact O-N 3.2Å; K280-S282 PolarHBondContact O-N 2.8Å; K280-F283 PolarHBondContact O-N 3.44Å; K280-P284 WeakPolarHBondContact O-CD 3.45Å
281	I	98.6	Very high	98.1	Very high	37 Å²	37	37.4 Å²	37.4	19%	0.19	23%	0.232	C	C	.	.	H	α-helix	trans	-60.2	-36.9	-178.5	-62.7	173.3	0	0	0	111.4	F263 V266 D276 C277 G279	F263-I281 HydrophobicContact CD2-CD1 4.24Å; F263-I281 HydrophobicContact CD2-CG1 4.38Å; F263-I281 HydrophobicContact CD2-CG2 3.58Å; F263-I281 HydrophobicContact CE2-CD1 3.72Å; F263-I281 HydrophobicContact CE2-CG1 3.91Å; F263-I281 HydrophobicContact CE2-CG2 4.01Å; F263-I281 HydrophobicContact CG-CG2 4.39Å; F263-I281 HydrophobicContact CZ-CD1 4Å; V266-I281 HydrophobicContact CG2-CG2 4.04Å; D276-I281 HydrophobicContact CB-CG1 4.38Å; C277-I281 PolarHBondContact O-N 3.4Å; G279-I281 PolarHBondContact O-N 2.68Å
282	S	98.4	Very high	98.3	Very high	43 Å²	43	34.8 Å²	34.8	30%	0.301	20%	0.204	S	C	.	.	H	α-helix	trans	-95.9	-15	-175.9	63	0	0	0	0	114.6	I278 G279 K280 A285	I278-S282 WeakPolarHBondContact O-CB 3.49Å; I278-S282 PolarHBondContact O-N 2.91Å; I278-S282 VanDerWaalsContact O-N 3.11Å; I278-S282 PolarHBondContact O-OG 3.31Å; G279-S282 PolarHBondContact O-N 3.32Å; G279-S282 PolarHBondContact O-OG 3.11Å; K280-S282 PolarHBondContact O-N 2.8Å; S282-A285 WeakPolarHBondContact O-CB 3.21Å; S282-A285 PolarHBondContact O-N 2.97Å; S282-A285 VanDerWaalsContact O-N 3.15Å
283	F	98.8	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-37.1	178.2	174.5	-99	0	0	0	115	T199 E202 W206 G279 K280 A285 I286 Q287 Y319	T199-F283 HydrophobicContact CG2-CE2 4.27Å; T199-F283 HydrophobicContact CG2-CZ 3.85Å; E202-F283 HydrophobicContact CB-CD2 4.04Å; E202-F283 HydrophobicContact CB-CE1 4.08Å; E202-F283 HydrophobicContact CB-CE2 3.48Å; E202-F283 VanDerWaalsContact CB-CE2 3.48Å; E202-F283 HydrophobicContact CB-CZ 3.5Å; E202-F283 VanDerWaalsContact CB-CZ 3.5Å; E202-F283 HydrophobicContact CG-CD1 4.09Å; E202-F283 HydrophobicContact CG-CD2 4.39Å; E202-F283 HydrophobicContact CG-CE1 3.63Å; E202-F283 HydrophobicContact CG-CE2 4Å; E202-F283 HydrophobicContact CG-CG 4.46Å; E202-F283 HydrophobicContact CG-CZ 3.59Å; W206-F283 HydrophobicContact CH2-CB 3.88Å; W206-F283 AromaticContact CH2-CD1 3.8Å; W206-F283 HydrophobicContact CH2-CD1 3.8Å; W206-F283 HydrophobicContact CH2-CG 4.01Å; W206-F283 HydrophobicContact CZ3-CB 3.87Å; W206-F283 AromaticContact CZ3-CD1 3.92Å; W206-F283 HydrophobicContact CZ3-CD1 3.92Å; W206-F283 AromaticContact CZ3-CG 3.83Å; W206-F283 HydrophobicContact CZ3-CG 3.83Å; G279-F283 WeakPolarHBondContact O-CB 3.46Å; G279-F283 PolarHBondContact O-N 3.3Å; K280-F283 PolarHBondContact O-N 3.44Å; F283-A285 PolarHBondContact O-N 3.32Å; F283-I286 HydrophobicContact CD2-CB 4.12Å; F283-I286 HydrophobicContact CD2-CD1 4.18Å; F283-I286 HydrophobicContact CE2-CB 4.24Å; F283-I286 HydrophobicContact CE2-CG2 4.35Å; F283-I286 WeakPolarHBondContact O-CA 3.31Å; F283-I286 VanDerWaalsContact O-CB 3.32Å; F283-I286 WeakPolarHBondContact O-CB 3.46Å; F283-I286 PolarHBondContact O-N 3.13Å; F283-Q287 HydrophobicContact CE1-CB 4.16Å; F283-Q287 HydrophobicContact CZ-CB 4.12Å; F283-Q287 PolarHBondContact O-N 3.36Å; F283-Y319 HydrophobicContact CD1-CE1 4.18Å; F283-Y319 HydrophobicContact CE1-CE1 4.09Å
284	P	98.8	Very high	98.4	Very high	2 Å²	2	32 Å²	32	1%	0.013	19%	0.189	C	C	.	.	H	α-helix	trans	-52.8	-27.8	177.1	-29.4	35.8	0	0	0	114.6	V266 F270 F272 K280 A288 Y319 M322	V266-P284 HydrophobicContact CG1-CG 4.24Å; F270-P284 HydrophobicContact CD2-CG 3.9Å; F270-P284 HydrophobicContact CE2-CB 3.7Å; F270-P284 HydrophobicContact CE2-CG 3.54Å; F270-P284 HydrophobicContact CZ-CB 3.96Å; F270-P284 HydrophobicContact CZ-CG 4.02Å; F272-P284 HydrophobicContact CE2-CG 4.03Å; K280-P284 WeakPolarHBondContact O-CD 3.45Å; P284-A288 VanDerWaalsContact O-CB 3.25Å; P284-A288 WeakPolarHBondContact O-CB 3.33Å; P284-A288 PolarHBondContact O-N 3.46Å; P284-Y319 HydrophobicContact CB-CD1 4.01Å; P284-Y319 HydrophobicContact CB-CE1 3.99Å; P284-Y319 HydrophobicContact CG-CE1 4.06Å; P284-M322 HydrophobicContact CB-CE 3.6Å; P284-M322 HydrophobicContact CB-SD 3.91Å; P284-M322 WeakPolarHBondContact O-CE 3.34Å
285	A	98.8	Very high	98.5	Very high	6 Å²	6	26.2 Å²	26.2	5%	0.05	16%	0.158	C	C	.	.	H	α-helix	trans	-70.3	-31.9	174.4	0	0	0	0	0	113.4	I254 I257 Q258 S282 F283 A288 A289	I254-A285 HydrophobicContact CG2-CB 4.17Å; I257-A285 HydrophobicContact CB-CB 4.03Å; I257-A285 HydrophobicContact CG2-CB 3.74Å; Q258-A285 HydrophobicContact CG-CB 3.5Å; Q258-A285 VanDerWaalsContact CG-CB 3.5Å; S282-A285 WeakPolarHBondContact O-CB 3.21Å; S282-A285 PolarHBondContact O-N 2.97Å; S282-A285 VanDerWaalsContact O-N 3.15Å; F283-A285 PolarHBondContact O-N 3.32Å; A285-A288 PolarHBondContact O-N 3.18Å; A285-A289 WeakPolarHBondContact O-CB 3.49Å; A285-A289 PolarHBondContact O-N 3.41Å
286	I	98.8	Very high	98.5	Very high	19 Å²	19	21 Å²	21	10%	0.097	12%	0.121	C	C	.	.	H	α-helix	trans	-68.8	-44.2	177.2	-55.8	179.6	0	0	0	110	Q197 D201 D240 F250 I254 F283 A288 P290	Q197-I286 PolarHBondContact NE2-O 2.73Å; D201-I286 WeakPolarHBondContact OD2-CD1 3.32Å; D240-I286 HydrophobicContact CB-CG2 4.49Å; F250-I286 HydrophobicContact CE1-CG2 4.29Å; I254-I286 HydrophobicContact CD1-CB 4.45Å; I254-I286 HydrophobicContact CD1-CG1 4.02Å; I254-I286 HydrophobicContact CD1-CG2 4.44Å; I254-I286 HydrophobicContact CG1-CG1 4.39Å; I254-I286 HydrophobicContact CG2-CG1 4.4Å; F283-I286 HydrophobicContact CD2-CB 4.12Å; F283-I286 HydrophobicContact CD2-CD1 4.18Å; F283-I286 HydrophobicContact CE2-CB 4.24Å; F283-I286 HydrophobicContact CE2-CG2 4.35Å; F283-I286 WeakPolarHBondContact O-CA 3.31Å; F283-I286 VanDerWaalsContact O-CB 3.32Å; F283-I286 WeakPolarHBondContact O-CB 3.46Å; F283-I286 PolarHBondContact O-N 3.13Å; I286-A288 VanDerWaalsContact C-N 3.32Å; I286-A288 PolarHBondContact O-N 2.91Å; I286-P290 WeakPolarHBondContact O-CD 3.46Å
287	Q	98.8	Very high	98.4	Very high	11 Å²	11	21.8 Å²	21.8	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-71.4	-25.8	174.8	-171	167.6	-24.9	0	0	113.1	Y162 F283 P290 Y319 F320	Y162-Q287 PolarHBondContact OH-O 2.94Å; Y162-Q287 VanDerWaalsContact OH-O 3.05Å; F283-Q287 HydrophobicContact CE1-CB 4.16Å; F283-Q287 HydrophobicContact CZ-CB 4.12Å; F283-Q287 PolarHBondContact O-N 3.36Å; Q287-P290 WeakPolarHBondContact O-CD 3.35Å; Q287-Y319 HydrophobicContact CB-CD1 4.08Å; Q287-Y319 HydrophobicContact CB-CE1 4.38Å; Q287-Y319 HydrophobicContact CG-CD1 4.26Å; Q287-Y319 HydrophobicContact CG-CG 4.25Å; Q287-Y319 VanDerWaalsContact NE2-CD2 3.26Å; Q287-F320 HydrophobicContact CG-CE1 4.4Å; Q287-F320 HydrophobicContact CG-CZ 4.26Å
288	A	98.9	Very high	98.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-74.8	-37	175.7	0	0	0	0	0	113	I257 P284 A285 I286 P290 S291 M322 T323	I257-A288 HydrophobicContact CD1-CB 3.83Å; I257-A288 HydrophobicContact CG2-CB 4.16Å; P284-A288 VanDerWaalsContact O-CB 3.25Å; P284-A288 WeakPolarHBondContact O-CB 3.33Å; P284-A288 PolarHBondContact O-N 3.46Å; A285-A288 PolarHBondContact O-N 3.18Å; I286-A288 VanDerWaalsContact C-N 3.32Å; I286-A288 PolarHBondContact O-N 2.91Å; A288-P290 VanDerWaalsContact C-CD 3.47Å; A288-S291 WeakPolarHBondContact O-CB 3.26Å; A288-S291 PolarHBondContact O-N 3.3Å; A288-S291 PolarHBondContact O-OG 3.4Å; A288-M322 HydrophobicContact CB-CE 4.2Å; A288-T323 WeakPolarHBondContact CA-OG1 3.44Å; A288-T323 HydrophobicContact CB-CG2 3.95Å; A288-T323 WeakPolarHBondContact CB-OG1 3.32Å
289	A	98.8	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-56.6	-38.6	-172.6	0	0	0	0	0	115.8	F250 N253 I254 I257 A285 S291 F292 S295	F250-A289 HydrophobicContact CE2-CB 4.42Å; F250-A289 HydrophobicContact CZ-CB 4.38Å; N253-A289 HydrophobicContact CB-CB 4.25Å; I254-A289 HydrophobicContact CG1-CB 3.74Å; I257-A289 HydrophobicContact CD1-CB 4.07Å; A285-A289 WeakPolarHBondContact O-CB 3.49Å; A285-A289 PolarHBondContact O-N 3.41Å; A289-S291 PolarHBondContact O-N 2.88Å; A289-S291 VanDerWaalsContact O-N 3.09Å; A289-F292 PolarHBondContact O-N 3.3Å; A289-F292 VanDerWaalsContact O-N 3.15Å; A289-S295 WeakPolarHBondContact O-CB 3.4Å; A289-S295 PolarHBondContact O-OG 3.18Å
290	P	98.8	Very high	98	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-61.9	-15	175.9	-22.3	29.9	0	0	0	114.5	Y160 Y162 F238 F250 I286 Q287 A288 F292 F296	Y160-P290 PolarHBondContact OH-O 3.49Å; Y162-P290 HydrophobicContact CD1-CB 3.86Å; Y162-P290 HydrophobicContact CD2-CB 3.73Å; Y162-P290 HydrophobicContact CE1-CB 3.65Å; Y162-P290 HydrophobicContact CE1-CG 4.2Å; Y162-P290 HydrophobicContact CE2-CB 3.52Å; Y162-P290 HydrophobicContact CE2-CG 3.92Å; Y162-P290 HydrophobicContact CG-CB 3.93Å; F238-P290 HydrophobicContact CZ-CB 4.3Å; F238-P290 HydrophobicContact CZ-CG 3.92Å; F250-P290 HydrophobicContact CE2-CG 3.82Å; F250-P290 HydrophobicContact CZ-CG 4.02Å; I286-P290 WeakPolarHBondContact O-CD 3.46Å; Q287-P290 WeakPolarHBondContact O-CD 3.35Å; A288-P290 VanDerWaalsContact C-CD 3.47Å; P290-F292 PolarHBondContact O-N 2.97Å; P290-F296 HydrophobicContact CB-CE2 4.11Å; P290-F296 HydrophobicContact CB-CZ 3.84Å
291	S	98.9	Very high	97.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.014	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-68.3	-9.4	175.4	-54.2	0	0	0	0	113.6	Y160 A288 A289 C308	Y160-S291 PolarHBondContact OH-O 3.33Å; Y160-S291 VanDerWaalsContact OH-O 3.12Å; A288-S291 WeakPolarHBondContact O-CB 3.26Å; A288-S291 PolarHBondContact O-N 3.3Å; A288-S291 PolarHBondContact O-OG 3.4Å; A289-S291 PolarHBondContact O-N 2.88Å; A289-S291 VanDerWaalsContact O-N 3.09Å; S291-C308 VanDerWaalsContact O-CB 3.31Å; S291-C308 WeakPolarHBondContact O-CB 3.27Å
292	F	98.7	Very high	96.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.009	12%	0.117	C	C	.	.	S	Bend	trans	-118.6	126.6	-177.4	-54.9	-59.5	0	0	0	111.3	Y160 I257 A289 P290 S294 S295 T323 A327 I330 L332	Y160-F292 VanDerWaalsContact OH-C 3.23Å; Y160-F292 WeakPolarHBondContact OH-CA 3.45Å; Y160-F292 PolarHBondContact OH-N 3.13Å; Y160-F292 VanDerWaalsContact OH-N 3.08Å; I257-F292 HydrophobicContact CD1-CD2 4.15Å; I257-F292 HydrophobicContact CD1-CE2 3.75Å; I257-F292 HydrophobicContact CG1-CE2 4.14Å; A289-F292 PolarHBondContact O-N 3.3Å; A289-F292 VanDerWaalsContact O-N 3.15Å; P290-F292 PolarHBondContact O-N 2.97Å; F292-S294 PolarHBondContact O-N 3.36Å; F292-S295 WeakPolarHBondContact O-CB 3.17Å; F292-S295 PolarHBondContact O-N 3.19Å; F292-S295 PolarHBondContact O-OG 3.16Å; F292-T323 HydrophobicContact CE2-CG2 3.99Å; F292-T323 HydrophobicContact CZ-CG2 3.71Å; F292-A327 HydrophobicContact CE1-CB 3.69Å; F292-A327 HydrophobicContact CZ-CB 3.89Å; F292-I330 HydrophobicContact CD2-CD1 4.41Å; F292-I330 HydrophobicContact CE2-CD1 3.92Å; F292-I330 HydrophobicContact CZ-CD1 3.98Å; F292-L332 HydrophobicContact CB-CD1 3.8Å; F292-L332 HydrophobicContact CD1-CB 3.56Å; F292-L332 HydrophobicContact CD1-CD1 3.5Å; F292-L332 VanDerWaalsContact CD1-CD1 3.5Å; F292-L332 HydrophobicContact CD1-CG 4.15Å; F292-L332 HydrophobicContact CD2-CD1 4.11Å; F292-L332 HydrophobicContact CE1-CB 3.7Å; F292-L332 HydrophobicContact CE1-CD1 4.09Å; F292-L332 HydrophobicContact CG-CB 4.44Å; F292-L332 HydrophobicContact CG-CD1 3.5Å; F292-L332 VanDerWaalsContact CG-CD1 3.5Å
293	S	98.1	Very high	96.5	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.007	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-63.2	-27.2	-176	60.7	0	0	0	0	113.6	Y160 S295 F296 F300 K303 E304 I306	Y160-S293 PolarHBondContact OH-N 3.08Å; S293-S295 PolarHBondContact O-N 3.27Å; S293-S295 VanDerWaalsContact O-N 3.09Å; S293-F296 PolarHBondContact O-N 3.11Å; S293-F300 VanDerWaalsContact O-CD2 3.27Å; S293-F300 WeakPolarHBondContact O-CD2 3.36Å; S293-K303 WeakPolarHBondContact CB-O 3.38Å; S293-K303 PolarHBondContact OG-O 3.19Å; S293-E304 WeakPolarHBondContact OG-CA 3.39Å; S293-E304 PolarHBondContact OG-O 2.82Å; S293-I306 PolarHBondContact OG-N 3.34Å
294	S	97.3	Very high	96.1	Very high	13 Å²	13	25.5 Å²	25.5	9%	0.091	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-62.8	-13.5	174	52.1	0	0	0	0	114.1	G249 N253 F292 F296	G249-S294 WeakPolarHBondContact CA-O 3.42Å; N253-S294 PolarHBondContact ND2-OG 3.2Å; F292-S294 PolarHBondContact O-N 3.36Å; S294-F296 PolarHBondContact O-N 3.03Å
295	S	98.4	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-69.9	-21	171.1	-63.9	0	0	0	0	113.1	Y243 S247 F250 N253 A289 F292 S293 P297	Y243-S295 PolarHBondContact OH-O 3.47Å; Y243-S295 VanDerWaalsContact OH-O 3.04Å; S247-S295 PolarHBondContact OG-O 3.37Å; F250-S295 PolarHBondContact N-O 2.9Å; N253-S295 PolarHBondContact ND2-N 3.27Å; N253-S295 PolarHBondContact ND2-OG 2.84Å; A289-S295 WeakPolarHBondContact O-CB 3.4Å; A289-S295 PolarHBondContact O-OG 3.18Å; F292-S295 WeakPolarHBondContact O-CB 3.17Å; F292-S295 PolarHBondContact O-N 3.19Å; F292-S295 PolarHBondContact O-OG 3.16Å; S293-S295 PolarHBondContact O-N 3.27Å; S293-S295 VanDerWaalsContact O-N 3.09Å; S295-P297 VanDerWaalsContact C-CD 3.49Å; S295-P297 WeakPolarHBondContact O-CD 3.38Å
296	F	97.9	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.			trans	-125.1	66.7	-175.9	-48.3	-80.1	0	0	0	111.9	V195 F236 F238 Y243 F250 P290 S293 S294 Q298 I299 F300	V195-F296 HydrophobicContact CB-CE1 4.47Å; V195-F296 HydrophobicContact CB-CE2 4.3Å; V195-F296 HydrophobicContact CB-CZ 4.1Å; V195-F296 HydrophobicContact CG1-CD1 4.38Å; V195-F296 HydrophobicContact CG1-CD2 4.19Å; V195-F296 HydrophobicContact CG1-CE1 4.34Å; V195-F296 HydrophobicContact CG1-CE2 4.12Å; V195-F296 HydrophobicContact CG1-CG 4.3Å; V195-F296 HydrophobicContact CG1-CZ 4.2Å; V195-F296 HydrophobicContact CG2-CE2 3.85Å; V195-F296 HydrophobicContact CG2-CZ 3.94Å; F236-F296 HydrophobicContact CD1-CD1 4.05Å; F236-F296 HydrophobicContact CD1-CE1 4.23Å; F236-F296 AromaticContact CE1-CD1 3.86Å; F236-F296 HydrophobicContact CE1-CD1 3.86Å; F236-F296 AromaticContact CE1-CE1 4Å; F236-F296 HydrophobicContact CE1-CE1 4Å; F238-F296 HydrophobicContact CD1-CE1 4.04Å; F238-F296 AromaticContact CE1-CE1 3.6Å; F238-F296 HydrophobicContact CE1-CE1 3.6Å; F238-F296 AromaticContact CE1-CZ 3.7Å; F238-F296 HydrophobicContact CE1-CZ 3.7Å; F238-F296 AromaticContact CZ-CE1 3.87Å; F238-F296 HydrophobicContact CZ-CE1 3.87Å; F238-F296 AromaticContact CZ-CZ 3.81Å; F238-F296 HydrophobicContact CZ-CZ 3.81Å; Y243-F296 HydrophobicContact CD1-CE1 4.28Å; Y243-F296 AromaticContact CE1-CD1 3.58Å; Y243-F296 HydrophobicContact CE1-CD1 3.58Å; Y243-F296 AromaticContact CE1-CE1 3.59Å; Y243-F296 HydrophobicContact CE1-CE1 3.59Å; Y243-F296 AromaticContact CZ-CD1 3.78Å; F250-F296 HydrophobicContact CD2-CE1 4.25Å; F250-F296 HydrophobicContact CD2-CZ 4.37Å; F250-F296 HydrophobicContact CE2-CE1 4.27Å; F250-F296 HydrophobicContact CE2-CZ 4.14Å; P290-F296 HydrophobicContact CB-CE2 4.11Å; P290-F296 HydrophobicContact CB-CZ 3.84Å; S293-F296 PolarHBondContact O-N 3.11Å; S294-F296 PolarHBondContact O-N 3.03Å; F296-Q298 PolarHBondContact O-N 3.27Å; F296-Q298 VanDerWaalsContact O-N 3.16Å; F296-I299 HydrophobicContact CB-CB 4.1Å; F296-I299 HydrophobicContact CB-CD1 3.97Å; F296-I299 HydrophobicContact CB-CG1 4.14Å; F296-I299 HydrophobicContact CD1-CD1 4.49Å; F296-I299 HydrophobicContact CG-CD1 4.35Å; F296-I299 PolarHBondContact O-N 2.91Å; F296-F300 HydrophobicContact CB-CD2 3.84Å; F296-F300 HydrophobicContact CB-CE2 3.88Å; F296-F300 HydrophobicContact CD2-CD2 4.47Å; F296-F300 AromaticContact CD2-CE2 3.92Å; F296-F300 HydrophobicContact CD2-CE2 3.92Å; F296-F300 HydrophobicContact CG-CE2 4.29Å; F296-F300 PolarHBondContact O-N 3.35Å
297	P	95.3	Very high	95.5	Very high	55 Å²	55	31.7 Å²	31.7	36%	0.357	17%	0.174	S	C	.	.	H	α-helix	trans	-58.9	-31.7	-175.4	24.4	-34.9	0	0	0	113.3	S295 I299 N301	S295-P297 VanDerWaalsContact C-CD 3.49Å; S295-P297 WeakPolarHBondContact O-CD 3.38Å; P297-I299 VanDerWaalsContact C-N 3.27Å; P297-I299 PolarHBondContact O-N 3.14Å; P297-N301 WeakPolarHBondContact O-CA 3.37Å; P297-N301 PolarHBondContact O-N 2.88Å
298	Q	95	Very high	95.5	Very high	51 Å²	51	31.2 Å²	31.2	24%	0.238	17%	0.172	C	C	.	.	H	α-helix	trans	-70	-21.2	177.8	72.9	-76.6	4.5	0	0	113.9	Y243 F296 P466 K468	Y243-Q298 VanDerWaalsContact OH-CD 3.32Å; Y243-Q298 PolarHBondContact OH-NE2 2.65Å; Y243-Q298 PolarHBondContact OH-OE1 3.32Å; F296-Q298 PolarHBondContact O-N 3.27Å; F296-Q298 VanDerWaalsContact O-N 3.16Å; Q298-P466 HydrophobicContact CG-CB 3.84Å; Q298-K468 WeakPolarHBondContact O-CA 3.21Å; Q298-K468 PolarHBondContact O-N 3.47Å
299	I	96.8	Very high	95.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-93	-51.3	178.1	-59.8	179.9	0	0	0	109.7	V195 F236 F296 P297 L469 F473	V195-I299 HydrophobicContact CG1-CD1 3.79Å; F236-I299 HydrophobicContact CB-CD1 3.64Å; F236-I299 HydrophobicContact CD1-CD1 3.66Å; F236-I299 HydrophobicContact CG-CD1 3.86Å; F296-I299 HydrophobicContact CB-CB 4.1Å; F296-I299 HydrophobicContact CB-CD1 3.97Å; F296-I299 HydrophobicContact CB-CG1 4.14Å; F296-I299 HydrophobicContact CD1-CD1 4.49Å; F296-I299 HydrophobicContact CG-CD1 4.35Å; F296-I299 PolarHBondContact O-N 2.91Å; P297-I299 VanDerWaalsContact C-N 3.27Å; P297-I299 PolarHBondContact O-N 3.14Å; I299-L469 HydrophobicContact CD1-CD1 4.08Å; I299-L469 HydrophobicContact CD1-CG 4.39Å; I299-L469 HydrophobicContact CG1-CD1 4.41Å; I299-L469 HydrophobicContact CG1-CG 4.29Å; I299-L469 HydrophobicContact CG2-CB 4.43Å; I299-L469 HydrophobicContact CG2-CD1 3.75Å; I299-L469 HydrophobicContact CG2-CG 4.02Å; I299-F473 HydrophobicContact CG2-CE2 4.29Å; I299-F473 VanDerWaalsContact O-CD2 3.23Å; I299-F473 WeakPolarHBondContact O-CD2 3.32Å; I299-F473 VanDerWaalsContact O-CE2 3.25Å; I299-F473 WeakPolarHBondContact O-CE2 3.41Å
300	F	96.3	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-98.7	10.3	-169.3	-56.8	-70.4	0	0	0	114.2	Y160 P193 S293 F296 G302 K303 I306 F473	Y160-F300 HydrophobicContact CD1-CE1 4.14Å; Y160-F300 AromaticContact CD1-CZ 3.82Å; Y160-F300 HydrophobicContact CD1-CZ 3.82Å; Y160-F300 HydrophobicContact CD2-CE2 4.35Å; Y160-F300 AromaticContact CD2-CZ 3.72Å; Y160-F300 HydrophobicContact CD2-CZ 3.72Å; Y160-F300 HydrophobicContact CE1-CZ 4.31Å; Y160-F300 HydrophobicContact CE2-CE2 4.44Å; Y160-F300 HydrophobicContact CE2-CZ 4.23Å; Y160-F300 HydrophobicContact CG-CE1 4.01Å; Y160-F300 HydrophobicContact CG-CE2 4.4Å; Y160-F300 AromaticContact CG-CZ 3.49Å; Y160-F300 HydrophobicContact CG-CZ 3.49Å; Y160-F300 VanDerWaalsContact CG-CZ 3.49Å; P193-F300 HydrophobicContact CG-CE1 4.06Å; S293-F300 VanDerWaalsContact O-CD2 3.27Å; S293-F300 WeakPolarHBondContact O-CD2 3.36Å; F296-F300 HydrophobicContact CB-CD2 3.84Å; F296-F300 HydrophobicContact CB-CE2 3.88Å; F296-F300 HydrophobicContact CD2-CD2 4.47Å; F296-F300 AromaticContact CD2-CE2 3.92Å; F296-F300 HydrophobicContact CD2-CE2 3.92Å; F296-F300 HydrophobicContact CG-CE2 4.29Å; F296-F300 PolarHBondContact O-N 3.35Å; F300-G302 PolarHBondContact O-N 2.96Å; F300-G302 VanDerWaalsContact O-N 3.12Å; F300-K303 WeakPolarHBondContact O-CB 3.38Å; F300-K303 WeakPolarHBondContact O-CG 3.43Å; F300-K303 PolarHBondContact O-N 2.9Å; F300-I306 HydrophobicContact CD1-CG1 4.11Å; F300-I306 HydrophobicContact CE1-CG2 4.45Å; F300-F473 HydrophobicContact CD1-CD1 4.06Å; F300-F473 HydrophobicContact CD1-CD2 4.02Å; F300-F473 AromaticContact CD1-CE1 3.8Å; F300-F473 HydrophobicContact CD1-CE1 3.8Å; F300-F473 AromaticContact CD1-CE2 3.75Å; F300-F473 HydrophobicContact CD1-CE2 3.75Å; F300-F473 HydrophobicContact CD1-CG 4.18Å; F300-F473 AromaticContact CD1-CZ 3.67Å; F300-F473 HydrophobicContact CD1-CZ 3.67Å; F300-F473 AromaticContact CE1-CE1 3.97Å; F300-F473 HydrophobicContact CE1-CE1 3.97Å; F300-F473 HydrophobicContact CE1-CE2 4.16Å; F300-F473 AromaticContact CE1-CZ 3.73Å; F300-F473 HydrophobicContact CE1-CZ 3.73Å
301	N	87.6	Confident	95.5	Very high	136 Å²	136	31.2 Å²	31.2	73%	0.727	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	41.6	176.7	-163.7	30.9	0	0	0	113.5	P297 K303	P297-N301 WeakPolarHBondContact O-CA 3.37Å; P297-N301 PolarHBondContact O-N 2.88Å; N301-K303 VanDerWaalsContact C-N 3.31Å; N301-K303 PolarHBondContact O-N 3.06Å
302	G	83.2	Confident	95.5	Very high	47 Å²	47	31.4 Å²	31.4	49%	0.485	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	2.1	-179	0	0	0	0	0	116.1	F300 E304	F300-G302 PolarHBondContact O-N 2.96Å; F300-G302 VanDerWaalsContact O-N 3.12Å; G302-E304 WeakPolarHBondContact O-CG 3.42Å; G302-E304 PolarHBondContact O-N 2.82Å
303	K	91.8	Very high	95.4	Very high	90 Å²	90	32.3 Å²	32.3	39%	0.391	18%	0.181	S	C	.	.			trans	-70.3	123.7	173	-63.4	-157.7	-177.4	-174.8	0	110.9	S293 F300 N301 I306 F473	S293-K303 WeakPolarHBondContact CB-O 3.38Å; S293-K303 PolarHBondContact OG-O 3.19Å; F300-K303 WeakPolarHBondContact O-CB 3.38Å; F300-K303 WeakPolarHBondContact O-CG 3.43Å; F300-K303 PolarHBondContact O-N 2.9Å; N301-K303 VanDerWaalsContact C-N 3.31Å; N301-K303 PolarHBondContact O-N 3.06Å; K303-I306 HydrophobicContact CB-CD1 3.94Å; K303-I306 HydrophobicContact CB-CG1 4.04Å; K303-I306 HydrophobicContact CD-CD1 4.11Å; K303-F473 HydrophobicContact CD-CB 4.06Å; K303-F473 WeakPolarHBondContact CE-O 3.43Å; K303-F473 WeakPolarHBondContact CE-OXT 3.02Å; K303-F473 PolarHBondContact NZ-O 3.03Å; K303-F473 PolarHBondContact NZ-OXT 3.29Å
304	E	90.6	Very high	95.3	Very high	98 Å²	98	32.3 Å²	32.3	46%	0.458	18%	0.181	S	C	.	.			trans	-96.6	-14.3	-172.9	-48.4	-163.1	148	0	0	114.1	S293 G302 L332	S293-E304 WeakPolarHBondContact OG-CA 3.39Å; S293-E304 PolarHBondContact OG-O 2.82Å; G302-E304 WeakPolarHBondContact O-CG 3.42Å; G302-E304 PolarHBondContact O-N 2.82Å; E304-L332 HydrophobicContact CB-CD2 4.09Å
305	N	90.4	Very high	95	Very high	114 Å²	114	32.3 Å²	32.3	61%	0.61	18%	0.18	S	C	*	.			trans	-114.8	29.5	-168.8	-63.9	-31.8	0	0	0	113.5
306	I	96.3	Very high	95	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.087	19%	0.189	C	C	.	.			trans	-77.1	128.5	174.6	-49.7	-60.1	0	0	0	108.3	Y160 S293 F300 K303 C308 F473	Y160-I306 HydrophobicContact CD1-CB 4.29Å; Y160-I306 HydrophobicContact CD1-CG2 3.9Å; S293-I306 PolarHBondContact OG-N 3.34Å; F300-I306 HydrophobicContact CD1-CG1 4.11Å; F300-I306 HydrophobicContact CE1-CG2 4.45Å; K303-I306 HydrophobicContact CB-CD1 3.94Å; K303-I306 HydrophobicContact CB-CG1 4.04Å; K303-I306 HydrophobicContact CD-CD1 4.11Å; I306-C308 PolarHBondContact O-N 2.82Å; I306-F473 HydrophobicContact CD1-CD1 4.25Å
307	Q	97.7	Very high	95	Very high	26 Å²	26	34.3 Å²	34.3	12%	0.121	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.2	179	179.5	62.2	50.3	0	0	110.2	V149 F159 Y160 K334	V149-Q307 HydrophobicContact CG2-CG 3.98Å; F159-Q307 CarbonylContact C-O 3.38Å; F159-Q307 WeakPolarHBondContact CA-O 2.92Å; F159-Q307 HydrophobicContact CB-CB 3.81Å; F159-Q307 HydrophobicContact CB-CG 4.22Å; F159-Q307 VanDerWaalsContact CB-O 3.28Å; F159-Q307 WeakPolarHBondContact CB-O 3.48Å; Y160-Q307 VanDerWaalsContact CD1-O 3.26Å; Y160-Q307 WeakPolarHBondContact CD1-O 3.39Å; Y160-Q307 PolarHBondContact N-O 2.9Å; Q307-K334 PolarHBondContact NE2-O 3.06Å
308	C	98.8	Very high	95.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136.9	175	-176.2	0	0	0	0	110	Y160 S291 I306 P335 A336	Y160-C308 HydrophobicContact CD1-CB 4.21Å; Y160-C308 HydrophobicContact CE1-CB 3.54Å; Y160-C308 HydrophobicContact CE2-CB 4.33Å; Y160-C308 WeakPolarHBondContact O-CA 3.41Å; S291-C308 VanDerWaalsContact O-CB 3.31Å; S291-C308 WeakPolarHBondContact O-CB 3.27Å; I306-C308 PolarHBondContact O-N 2.82Å; C308-P335 HydrophobicContact CB-CB 4.18Å; C308-A336 PolarHBondContact O-N 2.92Å
309	L	98.9	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.7	169.1	172.2	62.2	0	0	0	109.3	M146 V149 F159 Y160 L161 Y162 L186 P311 A336 L338	M146-L309 HydrophobicContact CE-CD2 4.19Å; M146-L309 HydrophobicContact SD-CD1 3.95Å; M146-L309 HydrophobicContact SD-CD2 3.98Å; V149-L309 HydrophobicContact CG1-CD2 4.25Å; V149-L309 HydrophobicContact CG2-CB 4.2Å; V149-L309 HydrophobicContact CG2-CD1 4.37Å; F159-L309 HydrophobicContact CD2-CB 4.2Å; F159-L309 HydrophobicContact CE2-CB 4.27Å; F159-L309 HydrophobicContact CE2-CD2 4.16Å; Y160-L309 PolarHBondContact O-N 3.49Å; L161-L309 WeakPolarHBondContact CA-O 3.27Å; L161-L309 HydrophobicContact CD2-CB 4.04Å; L161-L309 HydrophobicContact CD2-CD2 3.8Å; L161-L309 HydrophobicContact CD2-CG 3.94Å; Y162-L309 PolarHBondContact N-O 3.02Å; L186-L309 HydrophobicContact CD1-CD2 4.46Å; L309-P311 WeakPolarHBondContact O-CD 3.11Å; L309-A336 HydrophobicContact CD1-CB 3.96Å; L309-L338 HydrophobicContact CD1-CD1 4.11Å; L309-L338 HydrophobicContact CD1-CG 4.06Å; L309-L338 HydrophobicContact CD2-CD1 4.06Å
310	I	98.9	Very high	95.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	103.8	-175.3	-51.9	178.1	0	0	0	110.9	Y162 F320 P335 A336 L337 L338	Y162-I310 HydrophobicContact CD1-CD1 3.64Å; Y162-I310 HydrophobicContact CD1-CG1 3.79Å; Y162-I310 HydrophobicContact CD1-CG2 4.43Å; Y162-I310 HydrophobicContact CE1-CD1 4.04Å; Y162-I310 HydrophobicContact CG-CG1 4.47Å; Y162-I310 VanDerWaalsContact O-CA 3.28Å; Y162-I310 WeakPolarHBondContact O-CA 3.45Å; Y162-I310 WeakPolarHBondContact O-CG2 3.34Å; I310-F320 HydrophobicContact CD1-CD1 3.5Å; I310-F320 HydrophobicContact CD1-CD2 4.38Å; I310-F320 HydrophobicContact CD1-CE1 3.67Å; I310-F320 HydrophobicContact CD1-CE2 4.46Å; I310-F320 HydrophobicContact CD1-CG 3.9Å; I310-F320 HydrophobicContact CD1-CZ 4.13Å; I310-F320 HydrophobicContact CG2-CD2 4.12Å; I310-F320 HydrophobicContact CG2-CE2 3.71Å; I310-F320 HydrophobicContact CG2-CZ 3.93Å; I310-P335 HydrophobicContact CD1-CB 3.65Å; I310-P335 HydrophobicContact CD1-CG 4.2Å; I310-P335 HydrophobicContact CG1-CB 4.19Å; I310-A336 PolarHBondContact N-O 2.94Å; I310-L337 HydrophobicContact CB-CD2 4.44Å; I310-L337 HydrophobicContact CB-CG 4.24Å; I310-L337 WeakPolarHBondContact O-CA 3.49Å; I310-L338 PolarHBondContact O-N 3.32Å
311	P	98.8	Very high	95.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.7	167.9	-8.7	27.6	0	0	0	110.1	F140 L161 Y162 T163 F182 T183 L186 L309 L338	F140-P311 HydrophobicContact CE1-CB 4.26Å; F140-P311 HydrophobicContact CZ-CB 4.46Å; L161-P311 HydrophobicContact CD2-CG 4.16Å; Y162-P311 VanDerWaalsContact O-CD 3.25Å; Y162-P311 WeakPolarHBondContact O-CD 3.22Å; T163-P311 PolarHBondContact OG1-O 3.28Å; F182-P311 HydrophobicContact CD1-CB 4.26Å; T183-P311 HydrophobicContact CG2-CG 4.4Å; L186-P311 HydrophobicContact CD1-CB 4.14Å; L186-P311 HydrophobicContact CD1-CG 3.51Å; L309-P311 WeakPolarHBondContact O-CD 3.11Å; P311-L338 WeakPolarHBondContact CA-O 3.38Å
312	C	98.3	Very high	96	Very high	7 Å²	7	29.8 Å²	29.8	5%	0.047	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	167.4	178.2	57.8	0	0	0	0	111.4	Q316 L338 H339 S340	C312-Q316 HydrophobicContact CB-CB 3.96Å; C312-Q316 HydrophobicContact CB-CG 4.19Å; C312-L338 PolarHBondContact N-O 3.25Å; C312-H339 CarbonylContact O-C 3.6Å; C312-H339 VanDerWaalsContact O-CA 3.29Å; C312-H339 WeakPolarHBondContact O-CA 3.29Å; C312-S340 PolarHBondContact O-N 2.89Å
313	A	96.4	Very high	96.7	Very high	21 Å²	21	27.6 Å²	27.6	17%	0.174	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	152.8	161.5	0	0	0	0	0	109.5	D315 Q316 S340 F342	A313-D315 WeakPolarHBondContact CB-OD1 3.36Å; A313-D315 PolarHBondContact O-N 2.96Å; A313-D315 VanDerWaalsContact O-N 3.11Å; A313-Q316 PolarHBondContact O-N 3.09Å; A313-Q316 VanDerWaalsContact O-N 3.1Å; A313-S340 WeakPolarHBondContact CA-OG 3.17Å; A313-F342 HydrophobicContact CB-CD1 4.35Å; A313-F342 HydrophobicContact CB-CE1 4.2Å
314	I	96	Very high	97	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-64.1	-18.5	-171.3	-165.6	161.1	0	0	0	114.1	L106 F110 F141 Q316 D317 H339 S340 F342	L106-I314 HydrophobicContact CD2-CD1 3.81Å; L106-I314 HydrophobicContact CD2-CG1 4.21Å; L106-I314 HydrophobicContact CD2-CG2 3.58Å; L106-I314 HydrophobicContact CG-CD1 3.92Å; F110-I314 HydrophobicContact CD2-CD1 4.15Å; F110-I314 HydrophobicContact CD2-CG1 3.83Å; F110-I314 HydrophobicContact CE2-CG1 4.05Å; F141-I314 HydrophobicContact CE1-CB 4.46Å; F141-I314 HydrophobicContact CE1-CD1 4.28Å; F141-I314 HydrophobicContact CE2-CD1 4.29Å; F141-I314 HydrophobicContact CZ-CB 4.44Å; F141-I314 HydrophobicContact CZ-CD1 3.52Å; I314-Q316 PolarHBondContact O-N 3.42Å; I314-Q316 VanDerWaalsContact O-N 3.15Å; I314-D317 HydrophobicContact CG1-CB 4.46Å; I314-D317 WeakPolarHBondContact O-CB 3.43Å; I314-D317 PolarHBondContact O-N 2.88Å; I314-D317 VanDerWaalsContact O-N 3.08Å; I314-H339 HydrophobicContact CB-CB 4.02Å; I314-H339 HydrophobicContact CD1-CB 4.35Å; I314-H339 HydrophobicContact CG1-CB 4.19Å; I314-S340 PolarHBondContact N-O 3.46Å; I314-S340 VanDerWaalsContact N-O 3.13Å; I314-F342 HydrophobicContact CG2-CE1 4.18Å; I314-F342 HydrophobicContact CG2-CE2 3.86Å; I314-F342 HydrophobicContact CG2-CZ 3.49Å; I314-F342 VanDerWaalsContact CG2-CZ 3.49Å
315	D	92.7	Very high	97.4	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.07	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-61.3	-19	173.6	60.1	-24.4	0	0	0	113.6	V88 D89 P90 A313 P318 F342 K352	V88-D315 HydrophobicContact CG1-CB 4.39Å; D89-D315 WeakPolarHBondContact O-CB 3.43Å; P90-D315 WeakPolarHBondContact CA-O 3.48Å; P90-D315 WeakPolarHBondContact CG-O 3.3Å; A313-D315 WeakPolarHBondContact CB-OD1 3.36Å; A313-D315 PolarHBondContact O-N 2.96Å; A313-D315 VanDerWaalsContact O-N 3.11Å; D315-P318 WeakPolarHBondContact O-CD 3.48Å; D315-F342 HydrophobicContact CB-CE1 3.58Å; D315-F342 HydrophobicContact CB-CZ 3.74Å; D315-K352 IonicContact OD2-NZ 2.9Å; D315-K352 PolarHBondContact OD2-NZ 3.41Å
316	Q	97	Very high	97.8	Very high	42 Å²	42	18.6 Å²	18.6	20%	0.196	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-87.9	-10.4	176.6	-57.5	-58	-58.2	0	0	113.8	C312 A313 I314 P318 Y319 F320	C312-Q316 HydrophobicContact CB-CB 3.96Å; C312-Q316 HydrophobicContact CB-CG 4.19Å; A313-Q316 PolarHBondContact O-N 3.09Å; A313-Q316 VanDerWaalsContact O-N 3.1Å; I314-Q316 PolarHBondContact O-N 3.42Å; I314-Q316 VanDerWaalsContact O-N 3.15Å; Q316-P318 VanDerWaalsContact C-N 3.31Å; Q316-Y319 PolarHBondContact O-N 3.49Å; Q316-F320 HydrophobicContact CB-CD2 4.39Å; Q316-F320 HydrophobicContact CB-CE2 3.98Å; Q316-F320 VanDerWaalsContact O-CD2 3.32Å; Q316-F320 WeakPolarHBondContact O-CD2 3.38Å
317	D	97.9	Very high	97.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-54.2	-36.1	179.8	-174.4	67.8	0	0	0	113.9	F110 R144 I314 Y319 F320 R321 H339	F110-D317 HydrophobicContact CD2-CB 3.94Å; F110-D317 HydrophobicContact CE2-CB 4.33Å; R144-D317 IonicContact CZ-OD1 3.4Å; R144-D317 IonicContact CZ-OD2 3.98Å; R144-D317 IonicContact NE-OD1 3.57Å; R144-D317 PolarHBondContact NE-OD1 3.13Å; R144-D317 IonicContact NE-OD2 2.75Å; R144-D317 IonicContact NH2-OD1 2.61Å; R144-D317 PolarHBondContact NH2-OD1 3.01Å; R144-D317 IonicContact NH2-OD2 2.73Å; R144-D317 PolarHBondContact NH2-OD2 3.24Å; I314-D317 HydrophobicContact CG1-CB 4.46Å; I314-D317 WeakPolarHBondContact O-CB 3.43Å; I314-D317 PolarHBondContact O-N 2.88Å; I314-D317 VanDerWaalsContact O-N 3.08Å; D317-Y319 VanDerWaalsContact C-N 3.29Å; D317-Y319 PolarHBondContact O-N 2.99Å; D317-F320 CarbonylContact O-C 3.23Å; D317-F320 PolarHBondContact O-N 3.44Å; D317-R321 WeakPolarHBondContact O-CB 3.48Å; D317-R321 PolarHBondContact O-N 3.18Å; D317-H339 IonicContact OD1-CE1 3.7Å; D317-H339 PolarHBondContact OD1-CE1 2.97Å; D317-H339 VanDerWaalsContact OD1-CE1 3.26Å; D317-H339 IonicContact OD1-NE2 2.82Å; D317-H339 PolarHBondContact OD1-NE2 2.89Å
318	P	97.7	Very high	97.9	Very high	18 Å²	18	20.1 Å²	20.1	12%	0.117	10%	0.103	C	C	.	.	H	α-helix	trans	-53.8	-40.6	177.3	-29.9	38.3	0	0	0	114.3	P90 I269 F270 D315 Q316 F320 M322	P90-P318 HydrophobicContact CG-CG 4.49Å; I269-P318 HydrophobicContact CG2-CB 3.74Å; F270-P318 HydrophobicContact CE1-CB 4.02Å; D315-P318 WeakPolarHBondContact O-CD 3.48Å; Q316-P318 VanDerWaalsContact C-N 3.31Å; P318-F320 PolarHBondContact O-N 2.73Å; P318-M322 WeakPolarHBondContact O-CB 3.4Å; P318-M322 PolarHBondContact O-N 3.44Å
319	Y	98.6	Very high	97.9	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-43	175.3	-72	-78.3	0	0	0	112	P90 F270 F283 P284 Q287 Q316 D317 M322 T323	P90-Y319 HydrophobicContact CB-CE2 3.73Å; P90-Y319 HydrophobicContact CG-CD2 4.07Å; P90-Y319 HydrophobicContact CG-CE2 3.55Å; F270-Y319 HydrophobicContact CD1-CE1 4.37Å; F270-Y319 AromaticContact CE1-CD1 3.62Å; F270-Y319 HydrophobicContact CE1-CD1 3.62Å; F270-Y319 AromaticContact CE1-CD2 3.95Å; F270-Y319 HydrophobicContact CE1-CD2 3.95Å; F270-Y319 AromaticContact CE1-CE1 3.55Å; F270-Y319 HydrophobicContact CE1-CE1 3.55Å; F270-Y319 AromaticContact CE1-CE2 3.89Å; F270-Y319 HydrophobicContact CE1-CE2 3.89Å; F270-Y319 AromaticContact CE1-CG 3.82Å; F270-Y319 HydrophobicContact CE1-CG 3.82Å; F270-Y319 AromaticContact CE1-CZ 3.69Å; F270-Y319 AromaticContact CZ-CD1 3.47Å; F270-Y319 HydrophobicContact CZ-CD1 3.47Å; F270-Y319 VanDerWaalsContact CZ-CD1 3.47Å; F270-Y319 AromaticContact CZ-CE1 3.69Å; F270-Y319 HydrophobicContact CZ-CE1 3.69Å; F270-Y319 AromaticContact CZ-CG 3.93Å; F270-Y319 HydrophobicContact CZ-CG 3.93Å; F283-Y319 HydrophobicContact CD1-CE1 4.18Å; F283-Y319 HydrophobicContact CE1-CE1 4.09Å; P284-Y319 HydrophobicContact CB-CD1 4.01Å; P284-Y319 HydrophobicContact CB-CE1 3.99Å; P284-Y319 HydrophobicContact CG-CE1 4.06Å; Q287-Y319 HydrophobicContact CB-CD1 4.08Å; Q287-Y319 HydrophobicContact CB-CE1 4.38Å; Q287-Y319 HydrophobicContact CG-CD1 4.26Å; Q287-Y319 HydrophobicContact CG-CG 4.25Å; Q287-Y319 VanDerWaalsContact NE2-CD2 3.26Å; Q316-Y319 PolarHBondContact O-N 3.49Å; D317-Y319 VanDerWaalsContact C-N 3.29Å; D317-Y319 PolarHBondContact O-N 2.99Å; Y319-M322 WeakPolarHBondContact O-CB 3.44Å; Y319-T323 WeakPolarHBondContact O-CB 3.26Å; Y319-T323 PolarHBondContact O-N 3.39Å; Y319-T323 PolarHBondContact O-OG1 2.98Å
320	F	98.6	Very high	97.8	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-88.1	-24.6	-171.9	-57	-54.9	0	0	0	113	Y162 Q287 I310 Q316 D317 P318 T323 R324 L337	Y162-F320 AromaticContact CE1-CE1 3.65Å; Y162-F320 HydrophobicContact CE1-CE1 3.65Å; Y162-F320 AromaticContact CE1-CZ 3.84Å; Y162-F320 HydrophobicContact CE1-CZ 3.84Å; Q287-F320 HydrophobicContact CG-CE1 4.4Å; Q287-F320 HydrophobicContact CG-CZ 4.26Å; I310-F320 HydrophobicContact CD1-CD1 3.5Å; I310-F320 HydrophobicContact CD1-CD2 4.38Å; I310-F320 HydrophobicContact CD1-CE1 3.67Å; I310-F320 HydrophobicContact CD1-CE2 4.46Å; I310-F320 HydrophobicContact CD1-CG 3.9Å; I310-F320 HydrophobicContact CD1-CZ 4.13Å; I310-F320 HydrophobicContact CG2-CD2 4.12Å; I310-F320 HydrophobicContact CG2-CE2 3.71Å; I310-F320 HydrophobicContact CG2-CZ 3.93Å; Q316-F320 HydrophobicContact CB-CD2 4.39Å; Q316-F320 HydrophobicContact CB-CE2 3.98Å; Q316-F320 VanDerWaalsContact O-CD2 3.32Å; Q316-F320 WeakPolarHBondContact O-CD2 3.38Å; D317-F320 CarbonylContact O-C 3.23Å; D317-F320 PolarHBondContact O-N 3.44Å; P318-F320 PolarHBondContact O-N 2.73Å; F320-T323 PolarHBondContact O-N 2.75Å; F320-R324 WeakPolarHBondContact O-CB 3.35Å; F320-R324 WeakPolarHBondContact O-CG 3.39Å; F320-R324 PolarHBondContact O-N 3.39Å; F320-L337 HydrophobicContact CB-CD1 3.95Å; F320-L337 HydrophobicContact CB-CD2 3.44Å; F320-L337 VanDerWaalsContact CB-CD2 3.44Å; F320-L337 HydrophobicContact CB-CG 4.24Å; F320-L337 HydrophobicContact CD2-CD2 3.58Å; F320-L337 HydrophobicContact CG-CD2 3.8Å
321	R	98.2	Very high	97.7	Very high	118 Å²	118	30.7 Å²	30.7	45%	0.445	16%	0.164	S	C	.	.	H	α-helix	trans	-60.3	-48.2	164.4	-173.9	176.6	175.6	178.2	-0.2	110.1	F110 D317 T323 R324 D325	F110-R321 PolarHBondContact O-NH1 3Å; D317-R321 WeakPolarHBondContact O-CB 3.48Å; D317-R321 PolarHBondContact O-N 3.18Å; R321-T323 VanDerWaalsContact C-N 3.34Å; R321-T323 PolarHBondContact O-N 3.05Å; R321-R324 PolarHBondContact O-N 2.97Å; R321-D325 PolarHBondContact O-N 2.8Å
322	M	98.6	Very high	97.7	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.034	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-46.7	171.5	-176.3	-163.1	70.8	0	0	111.4	V261 V266 I269 F270 P284 A288 P318 Y319 R324 D325 V326	V261-M322 HydrophobicContact CB-SD 4.43Å; V261-M322 HydrophobicContact CG1-CG 4.38Å; V261-M322 HydrophobicContact CG1-SD 3.71Å; V261-M322 HydrophobicContact CG2-CE 4.49Å; V261-M322 HydrophobicContact CG2-CG 4.03Å; V261-M322 HydrophobicContact CG2-SD 3.89Å; V266-M322 HydrophobicContact CG1-SD 4.38Å; I269-M322 HydrophobicContact CD1-CB 4.1Å; I269-M322 HydrophobicContact CD1-CG 4.17Å; F270-M322 HydrophobicContact CE2-SD 4.07Å; P284-M322 HydrophobicContact CB-CE 3.6Å; P284-M322 HydrophobicContact CB-SD 3.91Å; P284-M322 WeakPolarHBondContact O-CE 3.34Å; A288-M322 HydrophobicContact CB-CE 4.2Å; P318-M322 WeakPolarHBondContact O-CB 3.4Å; P318-M322 PolarHBondContact O-N 3.44Å; Y319-M322 WeakPolarHBondContact O-CB 3.44Å; M322-R324 VanDerWaalsContact C-N 3.32Å; M322-R324 PolarHBondContact O-N 2.78Å; M322-D325 PolarHBondContact O-N 2.95Å; M322-V326 WeakPolarHBondContact O-CG2 3.44Å; M322-V326 PolarHBondContact O-N 3.17Å; M322-V326 VanDerWaalsContact O-N 3.14Å
323	T	98.8	Very high	97.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-41.2	179.9	-55.9	0	0	0	0	112.1	A288 F292 Y319 F320 R321 D325 V326 A327 P335	A288-T323 WeakPolarHBondContact CA-OG1 3.44Å; A288-T323 HydrophobicContact CB-CG2 3.95Å; A288-T323 WeakPolarHBondContact CB-OG1 3.32Å; F292-T323 HydrophobicContact CE2-CG2 3.99Å; F292-T323 HydrophobicContact CZ-CG2 3.71Å; Y319-T323 WeakPolarHBondContact O-CB 3.26Å; Y319-T323 PolarHBondContact O-N 3.39Å; Y319-T323 PolarHBondContact O-OG1 2.98Å; F320-T323 PolarHBondContact O-N 2.75Å; R321-T323 VanDerWaalsContact C-N 3.34Å; R321-T323 PolarHBondContact O-N 3.05Å; T323-D325 VanDerWaalsContact C-N 3.33Å; T323-D325 PolarHBondContact O-N 3.17Å; T323-V326 PolarHBondContact O-N 3.12Å; T323-A327 WeakPolarHBondContact O-CB 3.25Å; T323-A327 PolarHBondContact O-N 2.95Å; T323-P335 HydrophobicContact CG2-CG 4.02Å
324	R	98.8	Very high	97.7	Very high	27 Å²	27	35.4 Å²	35.4	10%	0.102	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-31.5	178.2	-73.3	169.5	59.9	75.3	2.6	113	D145 F320 R321 M322 P328 K334 P335	D145-R324 IonicContact OD1-NH2 3.47Å; D145-R324 IonicContact OD2-CZ 3.29Å; D145-R324 IonicContact OD2-NH1 3.2Å; D145-R324 PolarHBondContact OD2-NH1 2.89Å; D145-R324 IonicContact OD2-NH2 2.76Å; D145-R324 PolarHBondContact OD2-NH2 2.91Å; F320-R324 WeakPolarHBondContact O-CB 3.35Å; F320-R324 WeakPolarHBondContact O-CG 3.39Å; F320-R324 PolarHBondContact O-N 3.39Å; R321-R324 PolarHBondContact O-N 2.97Å; M322-R324 VanDerWaalsContact C-N 3.32Å; M322-R324 PolarHBondContact O-N 2.78Å; R324-P328 WeakPolarHBondContact O-CD 3.49Å; R324-K334 HydrophobicContact CB-CD 4.28Å; R324-K334 HydrophobicContact CB-CG 4.32Å; R324-K334 HydrophobicContact CG-CB 4.18Å; R324-K334 VanDerWaalsContact O-CE 3.27Å; R324-K334 WeakPolarHBondContact O-CE 2.92Å; R324-P335 HydrophobicContact CG-CG 3.95Å; R324-P335 PolarHBondContact NH1-O 3.09Å
325	D	98.2	Very high	97.9	Very high	83 Å²	83	35.4 Å²	35.4	44%	0.444	18%	0.184	S	C	.	.	H	α-helix	trans	-74.2	-30.8	174.6	-72.5	-18.7	0	0	0	112.3	R321 M322 T323 R329	R321-D325 PolarHBondContact O-N 2.8Å; M322-D325 PolarHBondContact O-N 2.95Å; T323-D325 VanDerWaalsContact C-N 3.33Å; T323-D325 PolarHBondContact O-N 3.17Å; D325-R329 PolarHBondContact O-NE 3.09Å
326	V	98.4	Very high	98.2	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-78.7	-41.6	177.4	172.3	0	0	0	0	112.1	I257 H260 V261 M322 T323 R329 I330	I257-V326 HydrophobicContact CB-CG1 4.35Å; I257-V326 HydrophobicContact CG1-CG1 4.07Å; I257-V326 HydrophobicContact CG2-CG1 4.27Å; H260-V326 HydrophobicContact CB-CG1 4.2Å; H260-V326 HydrophobicContact CB-CG2 4.37Å; V261-V326 HydrophobicContact CG2-CG2 3.51Å; M322-V326 WeakPolarHBondContact O-CG2 3.44Å; M322-V326 PolarHBondContact O-N 3.17Å; M322-V326 VanDerWaalsContact O-N 3.14Å; T323-V326 PolarHBondContact O-N 3.12Å; V326-R329 WeakPolarHBondContact O-CA 3.4Å; V326-R329 VanDerWaalsContact O-CB 3.32Å; V326-R329 WeakPolarHBondContact O-CB 3.36Å; V326-R329 PolarHBondContact O-N 3.4Å; V326-I330 HydrophobicContact CG1-CD1 4.11Å; V326-I330 HydrophobicContact CG1-CG1 4.38Å; V326-I330 HydrophobicContact CG1-CG2 4.19Å; V326-I330 PolarHBondContact O-N 3.46Å
327	A	98.5	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-43.7	-54.4	-174	0	0	0	0	0	114.7	F292 T323 R329 I330 G331 L332 K334	F292-A327 HydrophobicContact CE1-CB 3.69Å; F292-A327 HydrophobicContact CZ-CB 3.89Å; T323-A327 WeakPolarHBondContact O-CB 3.25Å; T323-A327 PolarHBondContact O-N 2.95Å; A327-R329 VanDerWaalsContact C-N 3.28Å; A327-R329 PolarHBondContact O-N 2.97Å; A327-I330 VanDerWaalsContact O-CG1 3.25Å; A327-I330 WeakPolarHBondContact O-CG1 3.34Å; A327-I330 PolarHBondContact O-N 3.04Å; A327-G331 PolarHBondContact O-N 2.89Å; A327-L332 CarbonylContact C-O 3.42Å; A327-L332 VanDerWaalsContact C-O 3.23Å; A327-L332 PolarHBondContact O-N 2.88Å; A327-K334 HydrophobicContact CB-CG 4.16Å
328	P	98.2	Very high	98.3	Very high	75 Å²	75	32.8 Å²	32.8	49%	0.487	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-66.5	-26.8	179.7	26.7	-35.4	0	0	0	113.6	R324 I330 G331	R324-P328 WeakPolarHBondContact O-CD 3.49Å; P328-I330 VanDerWaalsContact C-N 3.26Å; P328-I330 PolarHBondContact O-N 3.17Å; P328-G331 PolarHBondContact O-N 3.29Å
329	R	98.2	Very high	98.4	Very high	138 Å²	138	32 Å²	32	52%	0.521	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-71.6	-24	178.7	-54.9	178.8	-171.3	178.4	-1.3	112.3	D325 V326 A327	D325-R329 PolarHBondContact O-NE 3.09Å; V326-R329 WeakPolarHBondContact O-CA 3.4Å; V326-R329 VanDerWaalsContact O-CB 3.32Å; V326-R329 WeakPolarHBondContact O-CB 3.36Å; V326-R329 PolarHBondContact O-N 3.4Å; A327-R329 VanDerWaalsContact C-N 3.28Å; A327-R329 PolarHBondContact O-N 2.97Å
330	I	97.6	Very high	98.3	Very high	26 Å²	26	32 Å²	32	13%	0.133	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-104.5	9.1	176.5	64.5	173.1	0	0	0	112.6	K256 I257 F292 V326 A327 P328 L332	K256-I330 HydrophobicContact CB-CG2 4.09Å; I257-I330 HydrophobicContact CG1-CD1 4.22Å; F292-I330 HydrophobicContact CD2-CD1 4.41Å; F292-I330 HydrophobicContact CE2-CD1 3.92Å; F292-I330 HydrophobicContact CZ-CD1 3.98Å; V326-I330 HydrophobicContact CG1-CD1 4.11Å; V326-I330 HydrophobicContact CG1-CG1 4.38Å; V326-I330 HydrophobicContact CG1-CG2 4.19Å; V326-I330 PolarHBondContact O-N 3.46Å; A327-I330 VanDerWaalsContact O-CG1 3.25Å; A327-I330 WeakPolarHBondContact O-CG1 3.34Å; A327-I330 PolarHBondContact O-N 3.04Å; P328-I330 VanDerWaalsContact C-N 3.26Å; P328-I330 PolarHBondContact O-N 3.17Å; I330-L332 HydrophobicContact CD1-CD1 3.69Å; I330-L332 HydrophobicContact CD1-CG 4.35Å; I330-L332 HydrophobicContact CG1-CB 4.27Å; I330-L332 HydrophobicContact CG1-CD1 4.01Å; I330-L332 HydrophobicContact CG1-CG 4.11Å
331	G	97.1	Very high	98.2	Very high	60 Å²	60	32.7 Å²	32.7	62%	0.619	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	23.2	175.1	0	0	0	0	0	115.1	A327 P328	A327-G331 PolarHBondContact O-N 2.89Å; P328-G331 PolarHBondContact O-N 3.29Å
332	L	97.3	Very high	98	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.058	15%	0.153	C	C	.	.			trans	-116.1	154.1	-175.9	-61.8	178	0	0	0	111.7	F292 E304 A327 I330	F292-L332 HydrophobicContact CB-CD1 3.8Å; F292-L332 HydrophobicContact CD1-CB 3.56Å; F292-L332 HydrophobicContact CD1-CD1 3.5Å; F292-L332 VanDerWaalsContact CD1-CD1 3.5Å; F292-L332 HydrophobicContact CD1-CG 4.15Å; F292-L332 HydrophobicContact CD2-CD1 4.11Å; F292-L332 HydrophobicContact CE1-CB 3.7Å; F292-L332 HydrophobicContact CE1-CD1 4.09Å; F292-L332 HydrophobicContact CG-CB 4.44Å; F292-L332 HydrophobicContact CG-CD1 3.5Å; F292-L332 VanDerWaalsContact CG-CD1 3.5Å; E304-L332 HydrophobicContact CB-CD2 4.09Å; A327-L332 CarbonylContact C-O 3.42Å; A327-L332 VanDerWaalsContact C-O 3.23Å; A327-L332 PolarHBondContact O-N 2.88Å; I330-L332 HydrophobicContact CD1-CD1 3.69Å; I330-L332 HydrophobicContact CD1-CG 4.35Å; I330-L332 HydrophobicContact CG1-CB 4.27Å; I330-L332 HydrophobicContact CG1-CD1 4.01Å; I330-L332 HydrophobicContact CG1-CG 4.11Å
333	P	97.6	Very high	97.8	Very high	37 Å²	37	28.1 Å²	28.1	24%	0.24	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-66.2	149	177.9	27.8	-34.8	0	0	0	111.6
334	K	98.6	Very high	97.6	Very high	79 Å²	79	28.5 Å²	28.5	34%	0.343	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-69.9	134.4	173.5	-69.3	-176.7	-179.5	-176.9	0	109.5	Q307 R324 A327	Q307-K334 PolarHBondContact NE2-O 3.06Å; R324-K334 HydrophobicContact CB-CD 4.28Å; R324-K334 HydrophobicContact CB-CG 4.32Å; R324-K334 HydrophobicContact CG-CB 4.18Å; R324-K334 VanDerWaalsContact O-CE 3.27Å; R324-K334 WeakPolarHBondContact O-CE 2.92Å; A327-K334 HydrophobicContact CB-CG 4.16Å
335	P	98.8	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-66.5	139.9	169.4	28	-34.1	0	0	0	110.2	C308 I310 T323 R324	C308-P335 HydrophobicContact CB-CB 4.18Å; I310-P335 HydrophobicContact CD1-CB 3.65Å; I310-P335 HydrophobicContact CD1-CG 4.2Å; I310-P335 HydrophobicContact CG1-CB 4.19Å; T323-P335 HydrophobicContact CG2-CG 4.02Å; R324-P335 HydrophobicContact CG-CG 3.95Å; R324-P335 PolarHBondContact NH1-O 3.09Å
336	A	98.9	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	157.4	167.9	0	0	0	0	0	109.8	R144 D145 V149 C308 L309 I310	R144-A336 CarbonylContact O-C 3.54Å; R144-A336 VanDerWaalsContact O-CA 3.23Å; R144-A336 WeakPolarHBondContact O-CA 3.27Å; R144-A336 WeakPolarHBondContact O-CB 3.12Å; D145-A336 HydrophobicContact CB-CB 4.22Å; V149-A336 HydrophobicContact CG2-CB 3.38Å; C308-A336 PolarHBondContact O-N 2.92Å; L309-A336 HydrophobicContact CD1-CB 3.96Å; I310-A336 PolarHBondContact N-O 2.94Å
337	L	98.9	Very high	97	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148	-177.2	-71.5	100	0	0	0	112.4	H143 R144 I310 F320 H339	H143-L337 CarbonylContact C-O 3.6Å; H143-L337 WeakPolarHBondContact CA-O 3.34Å; H143-L337 VanDerWaalsContact CB-O 3.27Å; H143-L337 WeakPolarHBondContact CB-O 3.16Å; R144-L337 HydrophobicContact CB-CB 4.2Å; R144-L337 HydrophobicContact CB-CD1 4.15Å; R144-L337 HydrophobicContact CG-CB 4.43Å; R144-L337 HydrophobicContact CG-CD1 4.44Å; R144-L337 PolarHBondContact N-O 3.33Å; R144-L337 PolarHBondContact O-N 3.2Å; I310-L337 HydrophobicContact CB-CD2 4.44Å; I310-L337 HydrophobicContact CB-CG 4.24Å; I310-L337 WeakPolarHBondContact O-CA 3.49Å; F320-L337 HydrophobicContact CB-CD1 3.95Å; F320-L337 HydrophobicContact CB-CD2 3.44Å; F320-L337 VanDerWaalsContact CB-CD2 3.44Å; F320-L337 HydrophobicContact CB-CG 4.24Å; F320-L337 HydrophobicContact CD2-CD2 3.58Å; F320-L337 HydrophobicContact CG-CD2 3.8Å; L337-H339 WeakPolarHBondContact CB-NE2 3.47Å; L337-H339 VanDerWaalsContact CD2-NE2 3.34Å; L337-H339 WeakPolarHBondContact CD2-NE2 3.33Å
338	L	98.9	Very high	96.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.1	164.5	-75.6	168	0	0	0	107.7	I115 F140 H143 M146 F182 L186 L309 I310 P311 C312	I115-L338 HydrophobicContact CD1-CD2 3.61Å; F140-L338 HydrophobicContact CD1-CB 3.85Å; F140-L338 HydrophobicContact CE1-CB 4.16Å; F140-L338 WeakPolarHBondContact CE1-O 3.13Å; H143-L338 HydrophobicContact CB-CD2 3.88Å; M146-L338 HydrophobicContact CE-CD1 4.25Å; M146-L338 HydrophobicContact CG-CD2 4.28Å; M146-L338 HydrophobicContact SD-CD1 3.89Å; M146-L338 HydrophobicContact SD-CD2 4.21Å; M146-L338 HydrophobicContact SD-CG 4.1Å; F182-L338 HydrophobicContact CE1-CB 4.34Å; F182-L338 HydrophobicContact CE1-CD1 3.84Å; F182-L338 HydrophobicContact CZ-CD1 4.31Å; L186-L338 HydrophobicContact CD1-CD1 4.1Å; L186-L338 HydrophobicContact CD2-CD1 4.44Å; L309-L338 HydrophobicContact CD1-CD1 4.11Å; L309-L338 HydrophobicContact CD1-CG 4.06Å; L309-L338 HydrophobicContact CD2-CD1 4.06Å; I310-L338 PolarHBondContact O-N 3.32Å; P311-L338 WeakPolarHBondContact CA-O 3.38Å; C312-L338 PolarHBondContact N-O 3.25Å
339	H	98.8	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.3	-174.1	-56.1	130.9	0	0	0	111.7	F140 F141 S142 C312 I314 D317 L337	F140-H339 CarbonylContact C-O 3.49Å; F140-H339 WeakPolarHBondContact CA-O 3.49Å; F140-H339 VanDerWaalsContact CD1-C 3.49Å; F141-H339 WeakPolarHBondContact CD1-O 3.47Å; F141-H339 PolarHBondContact N-O 2.92Å; S142-H339 PolarHBondContact O-N 3.45Å; S142-H339 PolarHBondContact OG-ND1 2.78Å; C312-H339 CarbonylContact O-C 3.6Å; C312-H339 VanDerWaalsContact O-CA 3.29Å; C312-H339 WeakPolarHBondContact O-CA 3.29Å; I314-H339 HydrophobicContact CB-CB 4.02Å; I314-H339 HydrophobicContact CD1-CB 4.35Å; I314-H339 HydrophobicContact CG1-CB 4.19Å; D317-H339 IonicContact OD1-CE1 3.7Å; D317-H339 PolarHBondContact OD1-CE1 2.97Å; D317-H339 VanDerWaalsContact OD1-CE1 3.26Å; D317-H339 IonicContact OD1-NE2 2.82Å; D317-H339 PolarHBondContact OD1-NE2 2.89Å; L337-H339 WeakPolarHBondContact CB-NE2 3.47Å; L337-H339 VanDerWaalsContact CD2-NE2 3.34Å; L337-H339 WeakPolarHBondContact CD2-NE2 3.33Å
340	S	98.3	Very high	95.6	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	154.9	169.5	83.9	0	0	0	0	112.9	I139 C312 A313 I314	I139-S340 CarbonylContact O-C 3.55Å; I139-S340 WeakPolarHBondContact O-CA 3.41Å; C312-S340 PolarHBondContact O-N 2.89Å; A313-S340 WeakPolarHBondContact CA-OG 3.17Å; I314-S340 PolarHBondContact N-O 3.46Å; I314-S340 VanDerWaalsContact N-O 3.13Å
341	V	96.8	Very high	95.1	Very high	19 Å²	19	22.3 Å²	22.3	12%	0.115	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-62.8	165.2	160.1	-59	0	0	0	0	110.6	Y103 I139 F141 F408	Y103-V341 HydrophobicContact CD1-CB 4.48Å; Y103-V341 HydrophobicContact CD1-CG1 4.02Å; Y103-V341 HydrophobicContact CD2-CB 4.42Å; Y103-V341 HydrophobicContact CD2-CG1 3.75Å; Y103-V341 HydrophobicContact CE1-CB 3.85Å; Y103-V341 HydrophobicContact CE1-CG1 3.89Å; Y103-V341 HydrophobicContact CE2-CB 3.78Å; Y103-V341 HydrophobicContact CE2-CG1 3.61Å; Y103-V341 HydrophobicContact CG-CG1 3.96Å; Y103-V341 VanDerWaalsContact CZ-CB 3.46Å; I139-V341 HydrophobicContact CB-CG2 4.33Å; I139-V341 HydrophobicContact CG1-CG2 4.39Å; I139-V341 HydrophobicContact CG2-CG2 4.1Å; I139-V341 PolarHBondContact O-N 3.19Å; F141-V341 HydrophobicContact CD1-CG1 3.51Å; F141-V341 HydrophobicContact CE1-CG1 3.87Å; F141-V341 HydrophobicContact CG-CG1 4.2Å; V341-F408 HydrophobicContact CG2-CE1 3.89Å; V341-F408 HydrophobicContact CG2-CZ 3.72Å
342	F	93.9	Very high	94.5	Very high	16 Å²	16	21.7 Å²	21.7	7%	0.07	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-78.7	142.6	172.6	-58.4	-59.9	0	0	0	111.6	V88 V93 V101 Y103 A313 I314 D315 K352	V88-F342 HydrophobicContact CG1-CE2 3.89Å; V88-F342 HydrophobicContact CG1-CZ 3.61Å; V88-F342 HydrophobicContact CG2-CE2 4.19Å; V93-F342 HydrophobicContact CB-CD2 4.43Å; V93-F342 HydrophobicContact CB-CE2 4.34Å; V93-F342 HydrophobicContact CG1-CD2 3.67Å; V93-F342 HydrophobicContact CG1-CE2 3.76Å; V93-F342 HydrophobicContact CG1-CG 4.35Å; V93-F342 HydrophobicContact CG2-CD1 4.15Å; V93-F342 HydrophobicContact CG2-CD2 3.98Å; V93-F342 HydrophobicContact CG2-CE1 3.79Å; V93-F342 HydrophobicContact CG2-CE2 3.58Å; V93-F342 HydrophobicContact CG2-CG 4.25Å; V93-F342 HydrophobicContact CG2-CZ 3.48Å; V93-F342 VanDerWaalsContact CG2-CZ 3.48Å; V101-F342 HydrophobicContact CG2-CD2 4.25Å; V101-F342 HydrophobicContact CG2-CE2 4.45Å; Y103-F342 HydrophobicContact CE1-CD2 4.07Å; Y103-F342 HydrophobicContact CE1-CE2 4.34Å; Y103-F342 WeakPolarHBondContact OH-CD2 3.3Å; Y103-F342 PolarHBondContact OH-N 3.2Å; A313-F342 HydrophobicContact CB-CD1 4.35Å; A313-F342 HydrophobicContact CB-CE1 4.2Å; I314-F342 HydrophobicContact CG2-CE1 4.18Å; I314-F342 HydrophobicContact CG2-CE2 3.86Å; I314-F342 HydrophobicContact CG2-CZ 3.49Å; I314-F342 VanDerWaalsContact CG2-CZ 3.49Å; D315-F342 HydrophobicContact CB-CE1 3.58Å; D315-F342 HydrophobicContact CB-CZ 3.74Å; F342-K352 HydrophobicContact CB-CB 4.09Å; F342-K352 HydrophobicContact CD1-CB 4.42Å; F342-K352 HydrophobicContact CD1-CD 4.27Å; F342-K352 HydrophobicContact CG-CB 4.34Å
343	F	94.4	Very high	94	Very high	12 Å²	12	21.6 Å²	21.6	5%	0.053	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-80.3	120	168.2	-165.8	-98.4	0	0	0	109.2	V174 I178 M353 Y405 F408 F409	V174-F343 HydrophobicContact CG2-CD1 4.26Å; V174-F343 HydrophobicContact CG2-CE1 3.5Å; V174-F343 VanDerWaalsContact CG2-CE1 3.5Å; V174-F343 HydrophobicContact CG2-CZ 3.94Å; I178-F343 HydrophobicContact CD1-CD2 4.13Å; I178-F343 HydrophobicContact CG1-CB 4.35Å; I178-F343 HydrophobicContact CG1-CD2 4.06Å; I178-F343 HydrophobicContact CG1-CG 4.47Å; F343-M353 HydrophobicContact CD1-CB 4.21Å; F343-M353 HydrophobicContact CD1-CE 3.75Å; F343-M353 HydrophobicContact CD1-SD 4.04Å; F343-M353 HydrophobicContact CE1-CE 3.51Å; F343-M353 HydrophobicContact CE1-SD 4.19Å; F343-M353 PolarHBondContact O-N 2.89Å; F343-Y405 AromaticContact CD1-CE1 3.95Å; F343-Y405 HydrophobicContact CD1-CE1 3.95Å; F343-Y405 AromaticContact CE1-CD1 3.71Å; F343-Y405 HydrophobicContact CE1-CD1 3.71Å; F343-Y405 HydrophobicContact CE1-CD2 4.03Å; F343-Y405 AromaticContact CE1-CE1 3.23Å; F343-Y405 HydrophobicContact CE1-CE1 3.23Å; F343-Y405 AromaticContact CE1-CE2 3.61Å; F343-Y405 HydrophobicContact CE1-CE2 3.61Å; F343-Y405 HydrophobicContact CE1-CG 4.09Å; F343-Y405 AromaticContact CE1-CZ 3.2Å; F343-Y405 AromaticContact CE2-CD1 3.74Å; F343-Y405 HydrophobicContact CE2-CD1 3.74Å; F343-Y405 HydrophobicContact CE2-CE1 4.07Å; F343-Y405 HydrophobicContact CE2-CG 4.07Å; F343-Y405 AromaticContact CZ-CD1 3.2Å; F343-Y405 HydrophobicContact CZ-CD1 3.2Å; F343-Y405 AromaticContact CZ-CD2 3.58Å; F343-Y405 HydrophobicContact CZ-CD2 3.58Å; F343-Y405 AromaticContact CZ-CE1 3.3Å; F343-Y405 HydrophobicContact CZ-CE1 3.3Å; F343-Y405 AromaticContact CZ-CE2 3.68Å; F343-Y405 HydrophobicContact CZ-CE2 3.68Å; F343-Y405 AromaticContact CZ-CG 3.36Å; F343-Y405 HydrophobicContact CZ-CG 3.36Å; F343-Y405 AromaticContact CZ-CZ 3.56Å; F343-F408 HydrophobicContact CD2-CB 4.49Å; F343-F408 AromaticContact CD2-CD1 3.94Å; F343-F408 HydrophobicContact CD2-CD1 3.94Å; F343-F408 AromaticContact CD2-CD2 3.72Å; F343-F408 HydrophobicContact CD2-CD2 3.72Å; F343-F408 AromaticContact CD2-CE1 3.99Å; F343-F408 HydrophobicContact CD2-CE1 3.99Å; F343-F408 AromaticContact CD2-CE2 3.82Å; F343-F408 HydrophobicContact CD2-CE2 3.82Å; F343-F408 AromaticContact CD2-CG 3.8Å; F343-F408 HydrophobicContact CD2-CG 3.8Å; F343-F408 AromaticContact CD2-CZ 3.95Å; F343-F408 HydrophobicContact CD2-CZ 3.95Å; F343-F408 HydrophobicContact CE2-CB 4.06Å; F343-F408 HydrophobicContact CE2-CD1 4.35Å; F343-F408 AromaticContact CE2-CD2 3.6Å; F343-F408 HydrophobicContact CE2-CD2 3.6Å; F343-F408 HydrophobicContact CE2-CE2 4.1Å; F343-F408 AromaticContact CE2-CG 3.76Å; F343-F408 HydrophobicContact CE2-CG 3.76Å; F343-F409 HydrophobicContact CD2-CE2 4.43Å; F343-F409 HydrophobicContact CE2-CD2 4.21Å; F343-F409 AromaticContact CE2-CE2 3.41Å; F343-F409 HydrophobicContact CE2-CE2 3.41Å; F343-F409 VanDerWaalsContact CE2-CE2 3.41Å; F343-F409 HydrophobicContact CE2-CZ 4.08Å; F343-F409 HydrophobicContact CZ-CD2 4.37Å; F343-F409 AromaticContact CZ-CE2 3.51Å; F343-F409 HydrophobicContact CZ-CE2 3.51Å; F343-F409 HydrophobicContact CZ-CZ 4.33Å
344	P	93.6	Very high	93.3	Very high	9 Å²	9	22 Å²	22	6%	0.058	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	150.2	-168.8	20.4	-22.7	0	0	0	112.2	A349 M404 Y405	P344-A349 HydrophobicContact CB-CB 4.14Å; P344-M404 HydrophobicContact CB-SD 4.26Å; P344-M404 HydrophobicContact CG-CB 4.02Å; P344-M404 HydrophobicContact CG-SD 3.75Å; P344-Y405 HydrophobicContact CG-CD1 4.17Å; P344-Y405 HydrophobicContact CG-CE1 3.81Å; P344-Y405 VanDerWaalsContact O-CE1 3.26Å; P344-Y405 WeakPolarHBondContact O-CE1 3.33Å; P344-Y405 PolarHBondContact O-OH 3.1Å
345	A	94.2	Very high	92.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	157.8	170.1	0	0	0	0	0	111.1	Q347 G348 T351	A345-Q347 PolarHBondContact O-N 2.64Å; A345-G348 PolarHBondContact N-O 2.9Å; A345-G348 PolarHBondContact O-N 2.82Å; A345-G348 VanDerWaalsContact O-O 3.12Å; A345-T351 WeakPolarHBondContact CB-OG1 3.45Å; A345-T351 PolarHBondContact N-O 3.21Å
346	L	94.6	Very high	91.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.7	177.2	-78.7	169.3	0	0	0	112.2	G348 N359 S360 I362 K374 H378 A379 F380 Y405	L346-G348 PolarHBondContact O-N 2.97Å; L346-N359 WeakPolarHBondContact CD1-O 3.36Å; L346-S360 WeakPolarHBondContact CG-O 3.34Å; L346-S360 PolarHBondContact N-O 3.05Å; L346-I362 HydrophobicContact CD1-CG1 4.06Å; L346-I362 HydrophobicContact CD2-CD1 4.21Å; L346-I362 HydrophobicContact CD2-CG1 4.31Å; L346-I362 HydrophobicContact CG-CG1 4.49Å; L346-K374 HydrophobicContact CD1-CB 3.98Å; L346-H378 CarbonylContact C-O 3.34Å; L346-H378 HydrophobicContact CB-CB 4.14Å; L346-H378 HydrophobicContact CD1-CB 4.29Å; L346-A379 HydrophobicContact CD2-CB 3.87Å; L346-A379 CarbonylContact O-C 3.49Å; L346-A379 VanDerWaalsContact O-CA 3.24Å; L346-A379 WeakPolarHBondContact O-CA 3.17Å; L346-F380 PolarHBondContact O-N 2.9Å; L346-Y405 HydrophobicContact CD2-CE2 3.98Å
347	Q	93.1	Very high	90.2	Very high	78 Å²	78	26.9 Å²	26.9	36%	0.364	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.6	-177.2	-65.9	68.6	30.5	0	0	113.7	A345 N359 F380	A345-Q347 PolarHBondContact O-N 2.64Å; Q347-N359 VanDerWaalsContact NE2-C 3.31Å; Q347-N359 PolarHBondContact NE2-O 3.15Å; Q347-F380 WeakPolarHBondContact O-CB 3.29Å
348	G	91.4	Very high	89.1	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.4	173.3	-177.5	0	0	0	0	0	113.3	A345 L346 Q350	A345-G348 PolarHBondContact N-O 2.9Å; A345-G348 PolarHBondContact O-N 2.82Å; A345-G348 VanDerWaalsContact O-O 3.12Å; L346-G348 PolarHBondContact O-N 2.97Å; G348-Q350 VanDerWaalsContact C-N 3.28Å; G348-Q350 VanDerWaalsContact CA-OE1 3.31Å; G348-Q350 PolarHBondContact O-N 2.95Å
349	A	89.2	Confident	88.3	Confident	13 Å²	13	34.7 Å²	34.7	11%	0.107	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-1.4	-178.5	0	0	0	0	0	114.4	G100 P344 T351 M404	G100-A349 WeakPolarHBondContact CA-O 3.32Å; P344-A349 HydrophobicContact CB-CB 4.14Å; A349-T351 PolarHBondContact O-N 3.44Å; A349-M404 HydrophobicContact CB-CE 3.82Å; A349-M404 HydrophobicContact CB-SD 3.93Å
350	Q	86.4	Confident	87.6	Confident	65 Å²	65	34.9 Å²	34.9	30%	0.304	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-23	180	-63	87.8	-16.4	0	0	113.1	T95 G348	T95-Q350 HydrophobicContact CG2-CB 4.42Å; T95-Q350 PolarHBondContact N-O 2.69Å; T95-Q350 WeakPolarHBondContact O-CB 3.39Å; G348-Q350 VanDerWaalsContact C-N 3.28Å; G348-Q350 VanDerWaalsContact CA-OE1 3.31Å; G348-Q350 PolarHBondContact O-N 2.95Å
351	T	85.8	Confident	87.3	Confident	65 Å²	65	34.7 Å²	34.7	40%	0.399	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	153.8	178.7	61.5	0	0	0	0	110.7	A345 A349	A345-T351 WeakPolarHBondContact CB-OG1 3.45Å; A345-T351 PolarHBondContact N-O 3.21Å; A349-T351 PolarHBondContact O-N 3.44Å
352	K	86.2	Confident	87.2	Confident	46 Å²	46	33.8 Å²	33.8	20%	0.2	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	149	170.2	70.9	-179.4	-179.6	-165.9	0	110.6	P90 V93 D315 F342 S354	P90-K352 PolarHBondContact O-NZ 2.85Å; V93-K352 HydrophobicContact CB-CB 4.39Å; V93-K352 HydrophobicContact CB-CD 4.26Å; V93-K352 HydrophobicContact CB-CG 4.24Å; V93-K352 HydrophobicContact CG2-CD 3.76Å; V93-K352 HydrophobicContact CG2-CG 4.3Å; D315-K352 IonicContact OD2-NZ 2.9Å; D315-K352 PolarHBondContact OD2-NZ 3.41Å; F342-K352 HydrophobicContact CB-CB 4.09Å; F342-K352 HydrophobicContact CD1-CB 4.42Å; F342-K352 HydrophobicContact CD1-CD 4.27Å; F342-K352 HydrophobicContact CG-CB 4.34Å; K352-S354 PolarHBondContact O-N 3.35Å
353	M	86.2	Confident	87.4	Confident	10 Å²	10	34.7 Å²	34.7	5%	0.049	20%	0.2	C	C	.	.			trans	-55.7	130.4	170.7	-178.4	173.9	-72.2	0	0	110.3	H173 V174 F343 S361 Y405	H173-M353 HydrophobicContact CB-SD 3.77Å; H173-M353 PolarHBondContact CE1-O 3.2Å; V174-M353 HydrophobicContact CG2-CE 3.89Å; V174-M353 HydrophobicContact CG2-SD 3.77Å; F343-M353 HydrophobicContact CD1-CB 4.21Å; F343-M353 HydrophobicContact CD1-CE 3.75Å; F343-M353 HydrophobicContact CD1-SD 4.04Å; F343-M353 HydrophobicContact CE1-CE 3.51Å; F343-M353 HydrophobicContact CE1-SD 4.19Å; F343-M353 PolarHBondContact O-N 2.89Å; M353-S361 WeakPolarHBondContact CG-OG 3.35Å; M353-Y405 HydrophobicContact CE-CE2 4.21Å; M353-Y405 WeakPolarHBondContact CE-OH 3.37Å
354	S	82.6	Confident	87.5	Confident	45 Å²	45	34.2 Å²	34.2	32%	0.315	20%	0.198	S	C	.	.			trans	-136.9	133.1	-176.9	177.9	0	0	0	0	111.9	K352 S356 D357 S360 S361	K352-S354 PolarHBondContact O-N 3.35Å; S354-S356 PolarHBondContact O-N 2.76Å; S354-S356 VanDerWaalsContact O-N 3.1Å; S354-S356 PolarHBondContact OG-N 2.69Å; S354-D357 PolarHBondContact O-N 3.47Å; S354-D357 VanDerWaalsContact O-N 3.17Å; S354-S360 PolarHBondContact O-OG 2.96Å; S354-S361 PolarHBondContact O-OG 2.91Å
355	A	79.8	Confident	87.6	Confident	21 Å²	21	37.6 Å²	37.6	17%	0.174	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.9	173.8	0	0	0	0	0	113.4	H173 D357 F363	H173-A355 PolarHBondContact NE2-N 3.1Å; A355-D357 VanDerWaalsContact C-N 3.31Å; A355-F363 HydrophobicContact CB-CE1 4.19Å
356	S	75.6	Confident	87.8	Confident	94 Å²	94	37.9 Å²	37.9	66%	0.657	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.3	177.5	-59.2	0	0	0	0	113.9	S354	S354-S356 PolarHBondContact O-N 2.76Å; S354-S356 VanDerWaalsContact O-N 3.1Å; S354-S356 PolarHBondContact OG-N 2.69Å
357	D	76.8	Confident	87.9	Confident	66 Å²	66	41 Å²	41	35%	0.353	24%	0.239	S	C	.	.			trans	-115	104.1	170.8	177.4	0.9	0	0	0	109.7	S354 A355 N359 S360	S354-D357 PolarHBondContact O-N 3.47Å; S354-D357 VanDerWaalsContact O-N 3.17Å; A355-D357 VanDerWaalsContact C-N 3.31Å; D357-N359 PolarHBondContact O-N 3.02Å; D357-N359 VanDerWaalsContact O-N 3.14Å; D357-N359 WeakPolarHBondContact OD1-CB 3.44Å; D357-N359 PolarHBondContact OD1-N 3.39Å; D357-S360 WeakPolarHBondContact O-CB 3.37Å; D357-S360 PolarHBondContact O-N 3.07Å; D357-S360 PolarHBondContact O-OG 3.36Å; D357-S360 PolarHBondContact OD1-N 3.47Å
358	P	75.3	Confident	88.2	Confident	78 Å²	78	40.5 Å²	40.5	51%	0.506	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.1	179.9	-25.3	34.5	0	0	0	114.7
359	N	82.6	Confident	88.5	Confident	87 Å²	87	48.4 Å²	48.4	47%	0.465	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.8	178.6	-62.8	-40.5	0	0	0	112.1	L346 Q347 D357	L346-N359 WeakPolarHBondContact CD1-O 3.36Å; Q347-N359 VanDerWaalsContact NE2-C 3.31Å; Q347-N359 PolarHBondContact NE2-O 3.15Å; D357-N359 PolarHBondContact O-N 3.02Å; D357-N359 VanDerWaalsContact O-N 3.14Å; D357-N359 WeakPolarHBondContact OD1-CB 3.44Å; D357-N359 PolarHBondContact OD1-N 3.39Å
360	S	82.6	Confident	88.9	Confident	4 Å²	4	52 Å²	52	3%	0.028	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-20.1	176.7	78.2	0	0	0	0	113.8	L346 S354 D357	L346-S360 WeakPolarHBondContact CG-O 3.34Å; L346-S360 PolarHBondContact N-O 3.05Å; S354-S360 PolarHBondContact O-OG 2.96Å; D357-S360 WeakPolarHBondContact O-CB 3.37Å; D357-S360 PolarHBondContact O-N 3.07Å; D357-S360 PolarHBondContact O-OG 3.36Å; D357-S360 PolarHBondContact OD1-N 3.47Å
361	S	92	Very high	89.5	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.			trans	-118.2	141.1	-164.5	-69	0	0	0	0	113.9	M353 S354 K374	M353-S361 WeakPolarHBondContact CG-OG 3.35Å; S354-S361 PolarHBondContact O-OG 2.91Å; S361-K374 WeakPolarHBondContact O-CD 3.43Å; S361-K374 WeakPolarHBondContact O-CE 3.38Å; S361-K374 PolarHBondContact O-NZ 3.19Å
362	I	96.3	Very high	90.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.281	C	S	.	.			trans	-98.7	110.3	162.5	-56.2	177.5	0	0	0	107.4	H173 V174 L346 D366 I371 K374 I375 Y405 L441 I445	H173-I362 CarbonylContact C-O 3.59Å; H173-I362 VanDerWaalsContact CA-O 3.27Å; H173-I362 WeakPolarHBondContact CA-O 3.38Å; H173-I362 WeakPolarHBondContact CB-O 3.26Å; V174-I362 HydrophobicContact CG1-CB 4.33Å; V174-I362 HydrophobicContact CG1-CG2 4.22Å; V174-I362 HydrophobicContact CG2-CB 4.05Å; V174-I362 PolarHBondContact N-O 3.33Å; L346-I362 HydrophobicContact CD1-CG1 4.06Å; L346-I362 HydrophobicContact CD2-CD1 4.21Å; L346-I362 HydrophobicContact CD2-CG1 4.31Å; L346-I362 HydrophobicContact CG-CG1 4.49Å; I362-D366 WeakPolarHBondContact CA-OD2 2.95Å; I362-I371 HydrophobicContact CG2-CG1 4.04Å; I362-K374 HydrophobicContact CG1-CD 4.47Å; I362-I375 HydrophobicContact CD1-CD1 4.14Å; I362-I375 HydrophobicContact CD1-CG1 3.82Å; I362-Y405 HydrophobicContact CD1-CD2 4.47Å; I362-Y405 HydrophobicContact CD1-CE2 3.98Å; I362-L441 HydrophobicContact CD1-CD1 3.76Å; I362-I445 HydrophobicContact CG2-CD1 3.62Å
363	F	96.6	Very high	90.6	Very high	34 Å²	34	51.5 Å²	51.5	15%	0.149	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-80.8	151.9	-177.1	-65.3	-73	0	0	0	111.2	H173 A355 T365 D366	H173-F363 HydrophobicContact CB-CD1 4.07Å; H173-F363 HydrophobicContact CB-CE1 4.47Å; A355-F363 HydrophobicContact CB-CE1 4.19Å; F363-T365 PolarHBondContact O-N 3.37Å; F363-D366 PolarHBondContact N-OD2 2.97Å; F363-D366 WeakPolarHBondContact O-CB 3.26Å; F363-D366 PolarHBondContact O-N 3.08Å
364	L	97.1	Very high	91.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-13	174.6	-57.5	-175.1	0	0	0	112.5	M172 V174 L177 I445 H448 Q449	M172-L364 HydrophobicContact CB-CD1 3.71Å; M172-L364 HydrophobicContact CB-CG 4.25Å; M172-L364 WeakPolarHBondContact O-CG 3.49Å; M172-L364 PolarHBondContact O-N 3.2Å; V174-L364 HydrophobicContact CG1-CD2 4.11Å; L177-L364 HydrophobicContact CD1-CD2 3.62Å; L177-L364 HydrophobicContact CD2-CD1 3.74Å; L177-L364 HydrophobicContact CD2-CD2 4.22Å; L177-L364 HydrophobicContact CG-CD1 4.23Å; L177-L364 HydrophobicContact CG-CD2 3.9Å; L364-I445 WeakPolarHBondContact O-CG2 3.48Å; L364-H448 VanDerWaalsContact CD1-CE1 3.48Å; L364-H448 WeakPolarHBondContact CD1-CE1 3.3Å; L364-Q449 VanDerWaalsContact O-CG 3.23Å; L364-Q449 WeakPolarHBondContact O-CG 3.22Å; L364-Q449 PolarHBondContact O-NE2 3.44Å
365	T	96.4	Very high	91.9	Very high	81 Å²	81	50.1 Å²	50.1	50%	0.497	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.9	173.8	52.6	0	0	0	0	113.6	A171 F363 T367	A171-T365 HydrophobicContact CB-CG2 3.74Å; F363-T365 PolarHBondContact O-N 3.37Å; T365-T367 PolarHBondContact O-N 2.71Å
366	D	97.2	Very high	92.8	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.032	29%	0.285	C	S	.	.			trans	-65.8	136.6	179.3	-77.3	-32.9	0	0	0	110.9	I362 F363 Q370 I371 K374 Q449	I362-D366 WeakPolarHBondContact CA-OD2 2.95Å; F363-D366 PolarHBondContact N-OD2 2.97Å; F363-D366 WeakPolarHBondContact O-CB 3.26Å; F363-D366 PolarHBondContact O-N 3.08Å; D366-Q370 HydrophobicContact CB-CB 3.96Å; D366-I371 HydrophobicContact CB-CG1 3.83Å; D366-K374 IonicContact OD1-NZ 2.69Å; D366-K374 PolarHBondContact OD1-NZ 2.95Å; D366-K374 WeakPolarHBondContact OD2-CD 3.36Å; D366-K374 WeakPolarHBondContact OD2-CE 3.21Å; D366-K374 IonicContact OD2-NZ 3.18Å; D366-K374 PolarHBondContact OD2-NZ 3.34Å; D366-Q449 PolarHBondContact O-NE2 2.88Å
367	T	98.3	Very high	93.7	Very high	65 Å²	65	55.5 Å²	55.5	40%	0.399	29%	0.286	S	S	.	.			trans	-71.2	160.4	171.4	60.8	0	0	0	0	111.4	T365 K369 Q370 I371	T365-T367 PolarHBondContact O-N 2.71Å; T367-K369 PolarHBondContact O-N 3.48Å; T367-K369 VanDerWaalsContact O-N 3.08Å; T367-Q370 PolarHBondContact O-N 3.28Å; T367-Q370 WeakPolarHBondContact OG1-CG 3.38Å; T367-Q370 PolarHBondContact OG1-N 2.99Å; T367-Q370 PolarHBondContact OG1-OE1 3.05Å; T367-I371 WeakPolarHBondContact O-CG1 3.21Å; T367-I371 PolarHBondContact O-N 3.09Å
368	P	98.5	Very high	94.6	Very high	67 Å²	67	55.5 Å²	55.5	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-51.2	-36.9	174.6	-29.7	36.3	0	0	0	113.8	K372 Q442	P368-K372 WeakPolarHBondContact O-CB 3.47Å; P368-K372 PolarHBondContact O-N 2.91Å; P368-K372 VanDerWaalsContact O-N 3.1Å; P368-Q442 HydrophobicContact CB-CG 4.22Å; P368-Q442 PolarHBondContact O-NE2 3.31Å
369	K	98.3	Very high	95.7	Very high	167 Å²	167	52 Å²	52	73%	0.726	26%	0.262	S	S	*	.	H	α-helix	trans	-69.2	-40.7	176.8	-173.6	178.2	178.5	-178.7	0	112.3	T367 T373	T367-K369 PolarHBondContact O-N 3.48Å; T367-K369 VanDerWaalsContact O-N 3.08Å; K369-T373 WeakPolarHBondContact O-CB 3.12Å; K369-T373 PolarHBondContact O-N 3.1Å; K369-T373 PolarHBondContact O-OG1 3.43Å
370	Q	97.6	Very high	96.4	Very high	89 Å²	89	52.2 Å²	52.2	42%	0.416	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-45.8	175.8	-77	163.1	-57.1	0	0	111.2	D366 T367 K372 T373 K374	D366-Q370 HydrophobicContact CB-CB 3.96Å; T367-Q370 PolarHBondContact O-N 3.28Å; T367-Q370 WeakPolarHBondContact OG1-CG 3.38Å; T367-Q370 PolarHBondContact OG1-N 2.99Å; T367-Q370 PolarHBondContact OG1-OE1 3.05Å; Q370-K372 PolarHBondContact O-N 3.42Å; Q370-T373 PolarHBondContact O-N 3.1Å; Q370-T373 VanDerWaalsContact O-N 3.14Å; Q370-K374 WeakPolarHBondContact O-CB 3.42Å; Q370-K374 WeakPolarHBondContact O-CG 3.45Å; Q370-K374 PolarHBondContact O-N 3.32Å
371	I	98.3	Very high	97.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-54.7	-53.1	176.1	-63.6	161.3	0	0	0	110.3	I362 D366 T367 T373 K374 I375 L441 Q442 I445	I362-I371 HydrophobicContact CG2-CG1 4.04Å; D366-I371 HydrophobicContact CB-CG1 3.83Å; T367-I371 WeakPolarHBondContact O-CG1 3.21Å; T367-I371 PolarHBondContact O-N 3.09Å; I371-T373 VanDerWaalsContact C-N 3.32Å; I371-T373 PolarHBondContact O-N 2.84Å; I371-K374 PolarHBondContact O-N 3.45Å; I371-I375 HydrophobicContact CG2-CD1 3.66Å; I371-I375 WeakPolarHBondContact O-CG1 3.4Å; I371-I375 PolarHBondContact O-N 2.83Å; I371-L441 HydrophobicContact CG2-CB 4.19Å; I371-Q442 HydrophobicContact CB-CG 4.46Å; I371-Q442 HydrophobicContact CD1-CG 4.29Å; I371-Q442 HydrophobicContact CG2-CG 4.25Å; I371-I445 HydrophobicContact CD1-CB 4.02Å; I371-I445 HydrophobicContact CD1-CD1 3.5Å; I371-I445 VanDerWaalsContact CD1-CD1 3.5Å; I371-I445 HydrophobicContact CD1-CG1 4.34Å; I371-I445 HydrophobicContact CD1-CG2 4.11Å; I371-I445 HydrophobicContact CG1-CD1 3.88Å
372	K	98.3	Very high	97.4	Very high	113 Å²	113	54.4 Å²	54.4	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-44.3	176.9	175.9	171.2	-176.3	178.8	0	112.3	P368 Q370 N376 I438	P368-K372 WeakPolarHBondContact O-CB 3.47Å; P368-K372 PolarHBondContact O-N 2.91Å; P368-K372 VanDerWaalsContact O-N 3.1Å; Q370-K372 PolarHBondContact O-N 3.42Å; K372-N376 WeakPolarHBondContact O-CB 3.24Å; K372-N376 PolarHBondContact O-N 3.28Å; K372-N376 PolarHBondContact O-ND2 3.08Å; K372-I438 HydrophobicContact CB-CD1 4.3Å; K372-I438 HydrophobicContact CB-CG2 4.2Å; K372-I438 HydrophobicContact CG-CD1 3.92Å
373	T	97.6	Very high	97.4	Very high	52 Å²	52	55.1 Å²	55.1	32%	0.319	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-45.6	-178.7	-59.9	0	0	0	0	111.2	K369 Q370 I371 N376 K377	K369-T373 WeakPolarHBondContact O-CB 3.12Å; K369-T373 PolarHBondContact O-N 3.1Å; K369-T373 PolarHBondContact O-OG1 3.43Å; Q370-T373 PolarHBondContact O-N 3.1Å; Q370-T373 VanDerWaalsContact O-N 3.14Å; I371-T373 VanDerWaalsContact C-N 3.32Å; I371-T373 PolarHBondContact O-N 2.84Å; T373-N376 PolarHBondContact O-N 2.94Å; T373-K377 HydrophobicContact CG2-CD 3.79Å; T373-K377 HydrophobicContact CG2-CG 4.34Å; T373-K377 VanDerWaalsContact O-CB 3.28Å; T373-K377 WeakPolarHBondContact O-CB 3.36Å; T373-K377 WeakPolarHBondContact O-CG 3.46Å; T373-K377 PolarHBondContact O-N 2.77Å
374	K	97.3	Very high	97.4	Very high	26 Å²	26	59.4 Å²	59.4	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-46.2	179.5	-74.4	-179.2	173.1	-178.5	0	112	L346 S361 I362 D366 Q370 I371 H378 A379	L346-K374 HydrophobicContact CD1-CB 3.98Å; S361-K374 WeakPolarHBondContact O-CD 3.43Å; S361-K374 WeakPolarHBondContact O-CE 3.38Å; S361-K374 PolarHBondContact O-NZ 3.19Å; I362-K374 HydrophobicContact CG1-CD 4.47Å; D366-K374 IonicContact OD1-NZ 2.69Å; D366-K374 PolarHBondContact OD1-NZ 2.95Å; D366-K374 WeakPolarHBondContact OD2-CD 3.36Å; D366-K374 WeakPolarHBondContact OD2-CE 3.21Å; D366-K374 IonicContact OD2-NZ 3.18Å; D366-K374 PolarHBondContact OD2-NZ 3.34Å; Q370-K374 WeakPolarHBondContact O-CB 3.42Å; Q370-K374 WeakPolarHBondContact O-CG 3.45Å; Q370-K374 PolarHBondContact O-N 3.32Å; I371-K374 PolarHBondContact O-N 3.45Å; K374-H378 WeakPolarHBondContact O-CA 3.48Å; K374-H378 WeakPolarHBondContact O-CB 3.5Å; K374-H378 PolarHBondContact O-N 3.36Å; K374-A379 PolarHBondContact O-N 2.85Å
375	I	98.1	Very high	97.4	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.8	-48.2	178.1	-67.3	162.8	0	0	0	110.7	I362 I371 K377 A379 K434 L437 I438 L441	I362-I375 HydrophobicContact CD1-CD1 4.14Å; I362-I375 HydrophobicContact CD1-CG1 3.82Å; I371-I375 HydrophobicContact CG2-CD1 3.66Å; I371-I375 WeakPolarHBondContact O-CG1 3.4Å; I371-I375 PolarHBondContact O-N 2.83Å; I375-K377 PolarHBondContact O-N 2.73Å; I375-A379 HydrophobicContact CG2-CB 4.41Å; I375-A379 WeakPolarHBondContact O-CB 3.42Å; I375-A379 PolarHBondContact O-N 2.8Å; I375-K434 HydrophobicContact CG2-CB 3.95Å; I375-K434 HydrophobicContact CG2-CD 4.2Å; I375-K434 HydrophobicContact CG2-CG 3.93Å; I375-K434 WeakPolarHBondContact O-CE 3.09Å; I375-K434 PolarHBondContact O-NZ 3.47Å; I375-L437 HydrophobicContact CD1-CD2 4.19Å; I375-L437 HydrophobicContact CD1-CG 4.09Å; I375-L437 HydrophobicContact CG1-CD2 4.25Å; I375-L437 HydrophobicContact CG2-CD2 4.08Å; I375-I438 HydrophobicContact CB-CD1 4.42Å; I375-I438 HydrophobicContact CB-CG1 4.04Å; I375-I438 HydrophobicContact CD1-CB 4.41Å; I375-I438 HydrophobicContact CD1-CG1 3.56Å; I375-I438 HydrophobicContact CG1-CG1 4.42Å; I375-I438 HydrophobicContact CG2-CD1 4.22Å; I375-I438 HydrophobicContact CG2-CG1 3.97Å; I375-L441 HydrophobicContact CD1-CD1 3.99Å
376	N	97.5	Very high	97.4	Very high	72 Å²	72	66.1 Å²	66.1	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-42.5	-178	-74.5	-16.3	0	0	0	112.8	K372 T373 K434	K372-N376 WeakPolarHBondContact O-CB 3.24Å; K372-N376 PolarHBondContact O-N 3.28Å; K372-N376 PolarHBondContact O-ND2 3.08Å; T373-N376 PolarHBondContact O-N 2.94Å; N376-K434 PolarHBondContact O-NZ 3.01Å; N376-K434 VanDerWaalsContact O-NZ 3.15Å
377	K	95.6	Very high	97.4	Very high	155 Å²	155	70.6 Å²	70.6	67%	0.674	36%	0.356	S	S	*	.	H	α-helix	trans	-87.8	-32	-173.6	-68	-171.7	175.5	-175.2	0	114.9	T373 I375	T373-K377 HydrophobicContact CG2-CD 3.79Å; T373-K377 HydrophobicContact CG2-CG 4.34Å; T373-K377 VanDerWaalsContact O-CB 3.28Å; T373-K377 WeakPolarHBondContact O-CB 3.36Å; T373-K377 WeakPolarHBondContact O-CG 3.46Å; T373-K377 PolarHBondContact O-N 2.77Å; I375-K377 PolarHBondContact O-N 2.73Å
378	H	95.9	Very high	97.4	Very high	67 Å²	67	74.3 Å²	74.3	31%	0.31	37%	0.369	S	S	.	.	H	α-helix	trans	-120.2	-24.6	-166.5	-54.4	-52.5	0	0	0	113.9	L346 K374 F380	L346-H378 CarbonylContact C-O 3.34Å; L346-H378 HydrophobicContact CB-CB 4.14Å; L346-H378 HydrophobicContact CD1-CB 4.29Å; K374-H378 WeakPolarHBondContact O-CA 3.48Å; K374-H378 WeakPolarHBondContact O-CB 3.5Å; K374-H378 PolarHBondContact O-N 3.36Å; H378-F380 PolarHBondContact O-N 2.99Å; H378-F380 VanDerWaalsContact O-N 3.16Å
379	A	97.1	Very high	97.4	Very high	5 Å²	5	75 Å²	75	4%	0.041	37%	0.366	C	S	.	.	S	Bend	trans	-65.1	117.8	176.4	0	0	0	0	0	110.1	L346 K374 I375 V401 K434	L346-A379 HydrophobicContact CD2-CB 3.87Å; L346-A379 CarbonylContact O-C 3.49Å; L346-A379 VanDerWaalsContact O-CA 3.24Å; L346-A379 WeakPolarHBondContact O-CA 3.17Å; K374-A379 PolarHBondContact O-N 2.85Å; I375-A379 HydrophobicContact CG2-CB 4.41Å; I375-A379 WeakPolarHBondContact O-CB 3.42Å; I375-A379 PolarHBondContact O-N 2.8Å; A379-V401 HydrophobicContact CB-CG1 4.43Å; A379-K434 WeakPolarHBondContact O-CE 3.43Å; A379-K434 PolarHBondContact O-NZ 3.1Å
380	F	97.4	Very high	97.4	Very high	91 Å²	91	67.3 Å²	67.3	40%	0.399	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-60.1	138.2	178.2	176.8	-90.9	0	0	0	110.9	L346 Q347 H378 V399 V401	L346-F380 PolarHBondContact O-N 2.9Å; Q347-F380 WeakPolarHBondContact O-CB 3.29Å; H378-F380 PolarHBondContact O-N 2.99Å; H378-F380 VanDerWaalsContact O-N 3.16Å; F380-V399 VanDerWaalsContact CD1-O 3.23Å; F380-V399 WeakPolarHBondContact CD1-O 3.21Å; F380-V399 HydrophobicContact CE1-CB 4.15Å; F380-V399 HydrophobicContact CE1-CG2 4.05Å; F380-V401 HydrophobicContact CB-CG2 3.87Å; F380-V401 PolarHBondContact O-N 3.21Å
381	S	97.9	Very high	97.4	Very high	41 Å²	41	68.6 Å²	68.6	29%	0.287	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-101.9	128.6	-176.9	173.3	0	0	0	0	109.9	G383 T430	S381-G383 PolarHBondContact OG-N 2.98Å; S381-T430 VanDerWaalsContact OG-CG2 3.26Å; S381-T430 WeakPolarHBondContact OG-CG2 3.44Å; S381-T430 PolarHBondContact OG-OG1 2.98Å
382	G	97.6	Very high	97.4	Very high	8 Å²	8	75.5 Å²	75.5	8%	0.082	36%	0.364	C	S	.	.			trans	-85.4	4.5	165	0	0	0	0	0	113.3	G395 N396 D400	G382-G395 CarbonylContact O-C 3.59Å; G382-G395 WeakPolarHBondContact O-CA 3.18Å; G382-N396 PolarHBondContact O-N 2.9Å; G382-D400 PolarHBondContact N-OD2 2.98Å
383	G	97.2	Very high	97.3	Very high	16 Å²	16	76.2 Å²	76.2	17%	0.165	36%	0.364	C	S	.	.	S	Bend	trans	-71.7	-173	175.1	0	0	0	0	0	113.3	S381 H390 Y423	S381-G383 PolarHBondContact OG-N 2.98Å; G383-H390 WeakPolarHBondContact CA-ND1 3.2Å; G383-Y423 WeakPolarHBondContact CA-OH 3.39Å; G383-Y423 PolarHBondContact N-OH 3.2Å
384	R	97.3	Very high	97.4	Very high	123 Å²	123	73.7 Å²	73.7	46%	0.464	35%	0.349	S	S	.	.			trans	-101.8	162.7	176.6	-54.6	-60	179.7	165	2.4	109.9	T386 E389 H390 G394	R384-T386 VanDerWaalsContact C-N 3.28Å; R384-T386 PolarHBondContact O-N 2.54Å; R384-E389 HydrophobicContact CB-CB 3.7Å; R384-E389 HydrophobicContact CG-CB 4.07Å; R384-H390 HydrophobicContact CB-CB 4.01Å; R384-H390 HydrophobicContact CG-CB 4.24Å; R384-H390 PolarHBondContact N-ND1 2.81Å; R384-G394 PolarHBondContact NE-O 2.92Å; R384-G394 VanDerWaalsContact NE-O 3.13Å
385	D	95.5	Very high	97.4	Very high	165 Å²	165	72.8 Å²	72.8	88%	0.882	35%	0.347	S	S	*	.	S	Bend	trans	-66.8	-33.1	-176.7	-64.8	-30.2	0	0	0	112
386	T	96.9	Very high	97.4	Very high	60 Å²	60	75.8 Å²	75.8	37%	0.368	36%	0.363	S	S	.	.	S	Bend	trans	-116.9	153.8	178.5	65.7	0	0	0	0	112.3	R384 E388 E389 H390	R384-T386 VanDerWaalsContact C-N 3.28Å; R384-T386 PolarHBondContact O-N 2.54Å; T386-E388 VanDerWaalsContact C-N 3.29Å; T386-E388 PolarHBondContact O-N 3.06Å; T386-E389 PolarHBondContact O-N 2.66Å; T386-E389 VanDerWaalsContact OG1-CB 3.31Å; T386-E389 WeakPolarHBondContact OG1-CB 3.44Å; T386-E389 VanDerWaalsContact OG1-CD 3.29Å; T386-E389 WeakPolarHBondContact OG1-CG 3.03Å; T386-E389 PolarHBondContact OG1-N 3.38Å; T386-E389 PolarHBondContact OG1-OE2 3.44Å; T386-H390 WeakPolarHBondContact O-CB 3.25Å; T386-H390 PolarHBondContact O-N 3.13Å
387	I	97.7	Very high	97.4	Very high	100 Å²	100	72.7 Å²	72.7	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-40.1	177.3	-67.3	174.4	0	0	0	109.8	E389 H390 R391 L429	I387-E389 PolarHBondContact O-N 2.84Å; I387-H390 PolarHBondContact O-N 2.83Å; I387-R391 HydrophobicContact CG2-CG 3.98Å; I387-R391 WeakPolarHBondContact O-CB 3.47Å; I387-R391 WeakPolarHBondContact O-CG 3.38Å; I387-R391 PolarHBondContact O-N 3.4Å; I387-L429 HydrophobicContact CG2-CD2 4.27Å
388	E	97.7	Very high	97.4	Very high	143 Å²	143	69 Å²	69	67%	0.668	34%	0.335	S	S	*	.	H	α-helix	trans	-59.4	-46.6	179.2	-65.2	77	-170.5	0	0	111.4	T386 K392	T386-E388 VanDerWaalsContact C-N 3.29Å; T386-E388 PolarHBondContact O-N 3.06Å; E388-K392 WeakPolarHBondContact O-CB 3.33Å; E388-K392 PolarHBondContact O-N 3.19Å; E388-K392 VanDerWaalsContact O-N 3.14Å
389	E	98.1	Very high	97.4	Very high	81 Å²	81	66.9 Å²	66.9	38%	0.379	33%	0.326	S	S	.	.	H	α-helix	trans	-67	-39	175.4	-72	172.1	139.4	0	0	111.9	R384 T386 I387 K392 Y393	R384-E389 HydrophobicContact CB-CB 3.7Å; R384-E389 HydrophobicContact CG-CB 4.07Å; T386-E389 PolarHBondContact O-N 2.66Å; T386-E389 VanDerWaalsContact OG1-CB 3.31Å; T386-E389 WeakPolarHBondContact OG1-CB 3.44Å; T386-E389 VanDerWaalsContact OG1-CD 3.29Å; T386-E389 WeakPolarHBondContact OG1-CG 3.03Å; T386-E389 PolarHBondContact OG1-N 3.38Å; T386-E389 PolarHBondContact OG1-OE2 3.44Å; I387-E389 PolarHBondContact O-N 2.84Å; E389-K392 PolarHBondContact O-N 3.19Å; E389-Y393 HydrophobicContact CB-CD2 4.16Å; E389-Y393 HydrophobicContact CG-CD2 4.49Å; E389-Y393 HydrophobicContact CG-CE2 4.4Å; E389-Y393 WeakPolarHBondContact O-CB 3.34Å; E389-Y393 WeakPolarHBondContact O-CD2 3.25Å; E389-Y393 PolarHBondContact O-N 3.43Å
390	H	98.4	Very high	97.5	Very high	5 Å²	5	66.6 Å²	66.6	2%	0.023	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-43.4	179.1	-165.2	79.4	0	0	0	111.7	G383 R384 T386 I387 K392 G394 G395 Y423 G426 L428	G383-H390 WeakPolarHBondContact CA-ND1 3.2Å; R384-H390 HydrophobicContact CB-CB 4.01Å; R384-H390 HydrophobicContact CG-CB 4.24Å; R384-H390 PolarHBondContact N-ND1 2.81Å; T386-H390 WeakPolarHBondContact O-CB 3.25Å; T386-H390 PolarHBondContact O-N 3.13Å; I387-H390 PolarHBondContact O-N 2.83Å; H390-K392 PolarHBondContact O-N 3.33Å; H390-G394 WeakPolarHBondContact O-CA 3.29Å; H390-G394 PolarHBondContact O-N 3.31Å; H390-G395 PolarHBondContact CE1-N 3.24Å; H390-Y423 AromaticContact CE1-CD2 4Å; H390-Y423 AromaticContact CE1-CE2 3.44Å; H390-Y423 VanDerWaalsContact CE1-CE2 3.44Å; H390-Y423 WeakPolarHBondContact CE1-CE2 3.44Å; H390-Y423 AromaticContact CE1-CZ 3.94Å; H390-Y423 AromaticContact NE2-CD2 3.83Å; H390-Y423 AromaticContact NE2-CE2 3.6Å; H390-G426 VanDerWaalsContact O-CA 3.25Å; H390-G426 WeakPolarHBondContact O-CA 3.39Å; H390-L428 PolarHBondContact NE2-O 3.13Å
391	R	97.8	Very high	97.5	Very high	116 Å²	116	62.3 Å²	62.3	44%	0.438	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-31	174.7	-68.4	-74.3	177	-158.8	4.5	112.2	I387 G426 E427	I387-R391 HydrophobicContact CG2-CG 3.98Å; I387-R391 WeakPolarHBondContact O-CB 3.47Å; I387-R391 WeakPolarHBondContact O-CG 3.38Å; I387-R391 PolarHBondContact O-N 3.4Å; R391-G426 WeakPolarHBondContact CD-O 3.43Å; R391-G426 PolarHBondContact NH1-O 3.1Å; R391-E427 VanDerWaalsContact NH1-CA 3.32Å; R391-E427 PolarHBondContact NH1-O 3.29Å
392	K	97.8	Very high	97.6	Very high	146 Å²	146	60.3 Å²	60.3	64%	0.635	29%	0.291	S	S	*	.	H	α-helix	trans	-86.2	-40.3	-177.9	-173.4	177.9	178.7	-167.9	0	113.8	E388 E389 H390	E388-K392 WeakPolarHBondContact O-CB 3.33Å; E388-K392 PolarHBondContact O-N 3.19Å; E388-K392 VanDerWaalsContact O-N 3.14Å; E389-K392 PolarHBondContact O-N 3.19Å; H390-K392 PolarHBondContact O-N 3.33Å
393	Y	98	Very high	97.6	Very high	128 Å²	128	60.8 Å²	60.8	50%	0.502	29%	0.291	S	S	.	.	H	α-helix	trans	-117.3	-4.9	-169.4	-56.7	-59.9	0	0	0	114.2	E389	E389-Y393 HydrophobicContact CB-CD2 4.16Å; E389-Y393 HydrophobicContact CG-CD2 4.49Å; E389-Y393 HydrophobicContact CG-CE2 4.4Å; E389-Y393 WeakPolarHBondContact O-CB 3.34Å; E389-Y393 WeakPolarHBondContact O-CD2 3.25Å; E389-Y393 PolarHBondContact O-N 3.43Å
394	G	98.3	Very high	97.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.289	C	S	.	.			trans	67.9	175.8	-177.9	0	0	0	0	0	115.2	R384 H390 T424	R384-G394 PolarHBondContact NE-O 2.92Å; R384-G394 VanDerWaalsContact NE-O 3.13Å; H390-G394 WeakPolarHBondContact O-CA 3.29Å; H390-G394 PolarHBondContact O-N 3.31Å; G394-T424 WeakPolarHBondContact CA-O 3.47Å
395	G	98.3	Very high	97.7	Very high	6 Å²	6	55.4 Å²	55.4	6%	0.062	27%	0.267	C	S	.	.			trans	-93.6	159.9	169.4	0	0	0	0	0	113	G382 H390 Y423	G382-G395 CarbonylContact O-C 3.59Å; G382-G395 WeakPolarHBondContact O-CA 3.18Å; H390-G395 PolarHBondContact CE1-N 3.24Å; G395-Y423 PolarHBondContact N-O 2.98Å
396	N	98.2	Very high	97.9	Very high	63 Å²	63	47.5 Å²	47.5	34%	0.337	23%	0.225	S	C	.	.			trans	-106.1	103.6	176.6	-176.6	-0.5	0	0	0	111	G382 D398 V399 D400	G382-N396 PolarHBondContact O-N 2.9Å; N396-D398 PolarHBondContact O-N 3.28Å; N396-D398 WeakPolarHBondContact OD1-CB 3.41Å; N396-D398 PolarHBondContact OD1-N 2.74Å; N396-V399 HydrophobicContact CB-CG2 3.94Å; N396-V399 PolarHBondContact O-N 3.32Å; N396-D400 WeakPolarHBondContact O-CB 3.08Å; N396-D400 PolarHBondContact O-N 2.93Å
397	C	97.8	Very high	98	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.054	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26	176.9	-74.1	0	0	0	0	114.2	V399 F403 K420	C397-V399 PolarHBondContact O-N 2.87Å; C397-F403 HydrophobicContact CB-CD1 3.48Å; C397-F403 VanDerWaalsContact CB-CD1 3.48Å; C397-F403 HydrophobicContact CB-CE1 3.72Å; C397-F403 HydrophobicContact CB-CG 3.92Å; C397-F403 HydrophobicContact CB-CZ 4.35Å; C397-K420 HydrophobicContact CB-CG 4.43Å
398	D	94.9	Very high	98	Very high	78 Å²	78	41.8 Å²	41.8	42%	0.417	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15	-177.3	-65.1	-9.5	0	0	0	113	K99 N396 M404	K99-D398 HydrophobicContact CD-CB 4.11Å; K99-D398 HydrophobicContact CG-CB 4.19Å; K99-D398 IonicContact NZ-OD2 3.36Å; K99-D398 PolarHBondContact NZ-OD2 2.93Å; N396-D398 PolarHBondContact O-N 3.28Å; N396-D398 WeakPolarHBondContact OD1-CB 3.41Å; N396-D398 PolarHBondContact OD1-N 2.74Å; D398-M404 WeakPolarHBondContact O-CE 3.5Å
399	V	96.5	Very high	98	Very high	21 Å²	21	35.5 Å²	35.5	13%	0.127	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-12.8	-179.4	-56.8	0	0	0	0	112.6	A98 K99 F380 N396 C397 V401	A98-V399 HydrophobicContact CB-CG1 4.15Å; K99-V399 HydrophobicContact CG-CG1 4.02Å; F380-V399 VanDerWaalsContact CD1-O 3.23Å; F380-V399 WeakPolarHBondContact CD1-O 3.21Å; F380-V399 HydrophobicContact CE1-CB 4.15Å; F380-V399 HydrophobicContact CE1-CG2 4.05Å; N396-V399 HydrophobicContact CB-CG2 3.94Å; N396-V399 PolarHBondContact O-N 3.32Å; C397-V399 PolarHBondContact O-N 2.87Å; V399-V401 PolarHBondContact O-N 3.26Å
400	D	98.4	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.152	C	C	.	.			trans	-75.1	111.3	-179.2	-167.8	-73.4	0	0	0	111.3	G382 N396 S402 F403 M404 Y423 L433	G382-D400 PolarHBondContact N-OD2 2.98Å; N396-D400 WeakPolarHBondContact O-CB 3.08Å; N396-D400 PolarHBondContact O-N 2.93Å; D400-S402 PolarHBondContact O-N 3.02Å; D400-S402 VanDerWaalsContact OD1-CA 3.3Å; D400-S402 WeakPolarHBondContact OD1-CA 3.15Å; D400-S402 WeakPolarHBondContact OD1-CB 3.44Å; D400-S402 PolarHBondContact OD1-N 2.61Å; D400-F403 HydrophobicContact CB-CB 4.08Å; D400-F403 PolarHBondContact O-N 2.8Å; D400-F403 PolarHBondContact OD1-N 3.31Å; D400-M404 WeakPolarHBondContact O-CG 3.37Å; D400-M404 PolarHBondContact O-N 3.47Å; D400-Y423 HydrophobicContact CB-CE1 3.92Å; D400-Y423 WeakPolarHBondContact OD2-CE1 3.49Å; D400-Y423 PolarHBondContact OD2-OH 3.47Å; D400-L433 WeakPolarHBondContact OD1-CD2 3.31Å
401	V	98.1	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-30.7	-178.2	172.5	0	0	0	0	111.6	A379 F380 V399 M404 Y405	A379-V401 HydrophobicContact CB-CG1 4.43Å; F380-V401 HydrophobicContact CB-CG2 3.87Å; F380-V401 PolarHBondContact O-N 3.21Å; V399-V401 PolarHBondContact O-N 3.26Å; V401-M404 PolarHBondContact O-N 3.37Å; V401-Y405 HydrophobicContact CG1-CD1 3.97Å; V401-Y405 HydrophobicContact CG1-CE1 3.53Å; V401-Y405 HydrophobicContact CG1-CE2 4.35Å; V401-Y405 VanDerWaalsContact O-CD1 3.26Å; V401-Y405 WeakPolarHBondContact O-CD1 3.23Å; V401-Y405 PolarHBondContact O-N 2.85Å
402	S	98.6	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-70.8	-43.1	-179.5	-46.9	0	0	0	0	111	D400 Y405 L406 K434	D400-S402 PolarHBondContact O-N 3.02Å; D400-S402 VanDerWaalsContact OD1-CA 3.3Å; D400-S402 WeakPolarHBondContact OD1-CA 3.15Å; D400-S402 WeakPolarHBondContact OD1-CB 3.44Å; D400-S402 PolarHBondContact OD1-N 2.61Å; S402-Y405 PolarHBondContact O-N 3.14Å; S402-L406 WeakPolarHBondContact O-CG 3.42Å; S402-L406 PolarHBondContact O-N 3.08Å; S402-K434 WeakPolarHBondContact OG-CG 3.46Å
403	F	98.8	Very high	97.9	Very high	17 Å²	17	32.7 Å²	32.7	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-45.2	171.9	-173.7	-98	0	0	0	111.4	C397 D400 Y405 L406 T407 L416 K420 L433	C397-F403 HydrophobicContact CB-CD1 3.48Å; C397-F403 VanDerWaalsContact CB-CD1 3.48Å; C397-F403 HydrophobicContact CB-CE1 3.72Å; C397-F403 HydrophobicContact CB-CG 3.92Å; C397-F403 HydrophobicContact CB-CZ 4.35Å; D400-F403 HydrophobicContact CB-CB 4.08Å; D400-F403 PolarHBondContact O-N 2.8Å; D400-F403 PolarHBondContact OD1-N 3.31Å; F403-Y405 VanDerWaalsContact C-N 3.3Å; F403-Y405 PolarHBondContact O-N 3.18Å; F403-L406 WeakPolarHBondContact O-CB 3.44Å; F403-L406 PolarHBondContact O-N 3.05Å; F403-L406 VanDerWaalsContact O-N 3.08Å; F403-T407 HydrophobicContact CD1-CG2 4.2Å; F403-T407 HydrophobicContact CE1-CG2 3.89Å; F403-T407 HydrophobicContact CZ-CG2 4.45Å; F403-T407 WeakPolarHBondContact O-CG2 3.18Å; F403-T407 PolarHBondContact O-N 2.83Å; F403-T407 VanDerWaalsContact O-N 3.14Å; F403-L416 HydrophobicContact CE2-CD1 3.99Å; F403-L416 HydrophobicContact CZ-CD1 4.17Å; F403-L416 HydrophobicContact CZ-CG 4.43Å; F403-K420 HydrophobicContact CE1-CG 4.35Å; F403-K420 HydrophobicContact CE2-CB 3.65Å; F403-K420 HydrophobicContact CE2-CG 4.11Å; F403-K420 HydrophobicContact CZ-CB 3.58Å; F403-K420 HydrophobicContact CZ-CD 4.07Å; F403-K420 HydrophobicContact CZ-CG 3.66Å; F403-L433 HydrophobicContact CB-CD2 4.13Å; F403-L433 HydrophobicContact CD2-CD1 4.38Å
404	M	98.4	Very high	97.9	Very high	26 Å²	26	32.4 Å²	32.4	13%	0.128	17%	0.171	C	C	.	.	H	α-helix	trans	-52.9	-48.6	175.9	-71	173.7	-179.9	0	0	111.1	P344 A349 D398 D400 V401 L406 T407 F408	P344-M404 HydrophobicContact CB-SD 4.26Å; P344-M404 HydrophobicContact CG-CB 4.02Å; P344-M404 HydrophobicContact CG-SD 3.75Å; A349-M404 HydrophobicContact CB-CE 3.82Å; A349-M404 HydrophobicContact CB-SD 3.93Å; D398-M404 WeakPolarHBondContact O-CE 3.5Å; D400-M404 WeakPolarHBondContact O-CG 3.37Å; D400-M404 PolarHBondContact O-N 3.47Å; V401-M404 PolarHBondContact O-N 3.37Å; M404-L406 VanDerWaalsContact C-N 3.32Å; M404-L406 PolarHBondContact O-N 3.32Å; M404-T407 WeakPolarHBondContact O-CB 3.46Å; M404-T407 PolarHBondContact O-N 3.16Å; M404-T407 PolarHBondContact O-OG1 3.05Å; M404-F408 WeakPolarHBondContact O-CD2 3.24Å
405	Y	98.6	Very high	97.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-36	180	-74.9	16.2	0	0	0	112.7	F343 P344 L346 M353 I362 V401 S402 F403 T407 F408 F409 L437 L441	F343-Y405 AromaticContact CD1-CE1 3.95Å; F343-Y405 HydrophobicContact CD1-CE1 3.95Å; F343-Y405 AromaticContact CE1-CD1 3.71Å; F343-Y405 HydrophobicContact CE1-CD1 3.71Å; F343-Y405 HydrophobicContact CE1-CD2 4.03Å; F343-Y405 AromaticContact CE1-CE1 3.23Å; F343-Y405 HydrophobicContact CE1-CE1 3.23Å; F343-Y405 AromaticContact CE1-CE2 3.61Å; F343-Y405 HydrophobicContact CE1-CE2 3.61Å; F343-Y405 HydrophobicContact CE1-CG 4.09Å; F343-Y405 AromaticContact CE1-CZ 3.2Å; F343-Y405 AromaticContact CE2-CD1 3.74Å; F343-Y405 HydrophobicContact CE2-CD1 3.74Å; F343-Y405 HydrophobicContact CE2-CE1 4.07Å; F343-Y405 HydrophobicContact CE2-CG 4.07Å; F343-Y405 AromaticContact CZ-CD1 3.2Å; F343-Y405 HydrophobicContact CZ-CD1 3.2Å; F343-Y405 AromaticContact CZ-CD2 3.58Å; F343-Y405 HydrophobicContact CZ-CD2 3.58Å; F343-Y405 AromaticContact CZ-CE1 3.3Å; F343-Y405 HydrophobicContact CZ-CE1 3.3Å; F343-Y405 AromaticContact CZ-CE2 3.68Å; F343-Y405 HydrophobicContact CZ-CE2 3.68Å; F343-Y405 AromaticContact CZ-CG 3.36Å; F343-Y405 HydrophobicContact CZ-CG 3.36Å; F343-Y405 AromaticContact CZ-CZ 3.56Å; P344-Y405 HydrophobicContact CG-CD1 4.17Å; P344-Y405 HydrophobicContact CG-CE1 3.81Å; P344-Y405 VanDerWaalsContact O-CE1 3.26Å; P344-Y405 WeakPolarHBondContact O-CE1 3.33Å; P344-Y405 PolarHBondContact O-OH 3.1Å; L346-Y405 HydrophobicContact CD2-CE2 3.98Å; M353-Y405 HydrophobicContact CE-CE2 4.21Å; M353-Y405 WeakPolarHBondContact CE-OH 3.37Å; I362-Y405 HydrophobicContact CD1-CD2 4.47Å; I362-Y405 HydrophobicContact CD1-CE2 3.98Å; V401-Y405 HydrophobicContact CG1-CD1 3.97Å; V401-Y405 HydrophobicContact CG1-CE1 3.53Å; V401-Y405 HydrophobicContact CG1-CE2 4.35Å; V401-Y405 VanDerWaalsContact O-CD1 3.26Å; V401-Y405 WeakPolarHBondContact O-CD1 3.23Å; V401-Y405 PolarHBondContact O-N 2.85Å; S402-Y405 PolarHBondContact O-N 3.14Å; F403-Y405 VanDerWaalsContact C-N 3.3Å; F403-Y405 PolarHBondContact O-N 3.18Å; Y405-T407 VanDerWaalsContact C-N 3.26Å; Y405-T407 PolarHBondContact O-N 3.25Å; Y405-F408 PolarHBondContact O-N 3.36Å; Y405-F408 VanDerWaalsContact O-N 3.08Å; Y405-F409 WeakPolarHBondContact O-CD2 3.26Å; Y405-F409 PolarHBondContact O-N 3.48Å; Y405-F409 VanDerWaalsContact O-N 3.1Å; Y405-L437 HydrophobicContact CD2-CD1 4.43Å; Y405-L437 HydrophobicContact CD2-CD2 3.97Å; Y405-L437 HydrophobicContact CG-CD2 4.31Å; Y405-L441 HydrophobicContact CD2-CD1 4.15Å
406	L	98.8	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-35	174.2	-71.3	167.4	0	0	0	111.6	S402 F403 M404 F408 F409 L410 L416 L419 L433 V436 L437	S402-L406 WeakPolarHBondContact O-CG 3.42Å; S402-L406 PolarHBondContact O-N 3.08Å; F403-L406 WeakPolarHBondContact O-CB 3.44Å; F403-L406 PolarHBondContact O-N 3.05Å; F403-L406 VanDerWaalsContact O-N 3.08Å; M404-L406 VanDerWaalsContact C-N 3.32Å; M404-L406 PolarHBondContact O-N 3.32Å; L406-F408 PolarHBondContact O-N 2.77Å; L406-F409 PolarHBondContact O-N 3.15Å; L406-L410 HydrophobicContact CB-CB 4.3Å; L406-L410 HydrophobicContact CD2-CB 4.03Å; L406-L410 HydrophobicContact CD2-CD2 4.4Å; L406-L410 VanDerWaalsContact O-CB 3.27Å; L406-L410 WeakPolarHBondContact O-CB 3.37Å; L406-L410 PolarHBondContact O-N 2.92Å; L406-L416 HydrophobicContact CB-CD1 3.84Å; L406-L419 HydrophobicContact CD1-CD1 4.23Å; L406-L433 HydrophobicContact CD1-CD1 3.57Å; L406-L433 HydrophobicContact CD1-CG 4.45Å; L406-V436 HydrophobicContact CD1-CG1 4.44Å; L406-V436 HydrophobicContact CD2-CG1 4.06Å; L406-L437 HydrophobicContact CD2-CB 4.21Å; L406-L437 HydrophobicContact CD2-CD1 4.13Å; L406-L437 HydrophobicContact CG-CB 4.23Å; L406-L437 HydrophobicContact CG-CD1 4.14Å
407	T	98.5	Very high	98	Very high	31 Å²	31	39 Å²	39	19%	0.19	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-27.3	175	77	0	0	0	0	113	R137 I139 F403 M404 Y405 L416	R137-T407 VanDerWaalsContact CD-O 3.28Å; R137-T407 WeakPolarHBondContact CD-O 3.36Å; R137-T407 PolarHBondContact NH1-O 3.23Å; I139-T407 WeakPolarHBondContact CD1-O 3.48Å; F403-T407 HydrophobicContact CD1-CG2 4.2Å; F403-T407 HydrophobicContact CE1-CG2 3.89Å; F403-T407 HydrophobicContact CZ-CG2 4.45Å; F403-T407 WeakPolarHBondContact O-CG2 3.18Å; F403-T407 PolarHBondContact O-N 2.83Å; F403-T407 VanDerWaalsContact O-N 3.14Å; M404-T407 WeakPolarHBondContact O-CB 3.46Å; M404-T407 PolarHBondContact O-N 3.16Å; M404-T407 PolarHBondContact O-OG1 3.05Å; Y405-T407 VanDerWaalsContact C-N 3.26Å; Y405-T407 PolarHBondContact O-N 3.25Å; T407-L416 HydrophobicContact CG2-CD1 4.44Å; T407-L416 HydrophobicContact CG2-CD2 4.29Å
408	F	98.5	Very high	98	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.035	21%	0.213	C	C	.	.	H	α-helix	trans	-85	-42.1	175.3	-64.9	-95.9	0	0	0	112.8	R133 F134 I139 I178 V341 F343 M404 Y405 L406	R133-F408 PolarHBondContact NE-O 3.39Å; R133-F408 PolarHBondContact NH2-O 3.29Å; F134-F408 HydrophobicContact CE1-CB 4.29Å; F134-F408 HydrophobicContact CE1-CD1 4.31Å; F134-F408 VanDerWaalsContact CE1-O 3.26Å; F134-F408 WeakPolarHBondContact CE1-O 3.34Å; I139-F408 HydrophobicContact CB-CE1 4.34Å; I139-F408 HydrophobicContact CD1-CB 4.32Å; I139-F408 HydrophobicContact CD1-CD1 3.6Å; I139-F408 HydrophobicContact CD1-CE1 4.02Å; I139-F408 HydrophobicContact CD1-CG 3.89Å; I139-F408 HydrophobicContact CG1-CD1 4Å; I139-F408 HydrophobicContact CG1-CE1 3.88Å; I139-F408 HydrophobicContact CG1-CZ 4.33Å; I139-F408 HydrophobicContact CG2-CD1 3.81Å; I139-F408 HydrophobicContact CG2-CE1 3.57Å; I178-F408 HydrophobicContact CD1-CB 4.07Å; I178-F408 HydrophobicContact CD1-CD1 3.55Å; I178-F408 HydrophobicContact CD1-CE1 4.35Å; I178-F408 HydrophobicContact CD1-CG 4.11Å; I178-F408 HydrophobicContact CG1-CD1 3.98Å; I178-F408 HydrophobicContact CG1-CE1 4.3Å; I178-F408 HydrophobicContact CG2-CD1 4.3Å; I178-F408 HydrophobicContact CG2-CE1 4.35Å; V341-F408 HydrophobicContact CG2-CE1 3.89Å; V341-F408 HydrophobicContact CG2-CZ 3.72Å; F343-F408 HydrophobicContact CD2-CB 4.49Å; F343-F408 AromaticContact CD2-CD1 3.94Å; F343-F408 HydrophobicContact CD2-CD1 3.94Å; F343-F408 AromaticContact CD2-CD2 3.72Å; F343-F408 HydrophobicContact CD2-CD2 3.72Å; F343-F408 AromaticContact CD2-CE1 3.99Å; F343-F408 HydrophobicContact CD2-CE1 3.99Å; F343-F408 AromaticContact CD2-CE2 3.82Å; F343-F408 HydrophobicContact CD2-CE2 3.82Å; F343-F408 AromaticContact CD2-CG 3.8Å; F343-F408 HydrophobicContact CD2-CG 3.8Å; F343-F408 AromaticContact CD2-CZ 3.95Å; F343-F408 HydrophobicContact CD2-CZ 3.95Å; F343-F408 HydrophobicContact CE2-CB 4.06Å; F343-F408 HydrophobicContact CE2-CD1 4.35Å; F343-F408 AromaticContact CE2-CD2 3.6Å; F343-F408 HydrophobicContact CE2-CD2 3.6Å; F343-F408 HydrophobicContact CE2-CE2 4.1Å; F343-F408 AromaticContact CE2-CG 3.76Å; F343-F408 HydrophobicContact CE2-CG 3.76Å; M404-F408 WeakPolarHBondContact O-CD2 3.24Å; Y405-F408 PolarHBondContact O-N 3.36Å; Y405-F408 VanDerWaalsContact O-N 3.08Å; L406-F408 PolarHBondContact O-N 2.77Å
409	F	98.3	Very high	98.2	Very high	12 Å²	12	39.8 Å²	39.8	5%	0.053	19%	0.194	C	C	.	.	H	α-helix	trans	-111.5	-24.2	-164.1	-62.8	-64	0	0	0	115.7	V174 I178 I181 F343 Y405 L406 E411 T440 L441 L444	V174-F409 HydrophobicContact CB-CE2 4.31Å; V174-F409 HydrophobicContact CB-CZ 4.08Å; I178-F409 HydrophobicContact CD1-CE1 3.9Å; I178-F409 HydrophobicContact CD1-CE2 4.47Å; I178-F409 HydrophobicContact CD1-CZ 3.65Å; I181-F409 HydrophobicContact CD1-CE1 4.28Å; F343-F409 HydrophobicContact CD2-CE2 4.43Å; F343-F409 HydrophobicContact CE2-CD2 4.21Å; F343-F409 AromaticContact CE2-CE2 3.41Å; F343-F409 HydrophobicContact CE2-CE2 3.41Å; F343-F409 VanDerWaalsContact CE2-CE2 3.41Å; F343-F409 HydrophobicContact CE2-CZ 4.08Å; F343-F409 HydrophobicContact CZ-CD2 4.37Å; F343-F409 AromaticContact CZ-CE2 3.51Å; F343-F409 HydrophobicContact CZ-CE2 3.51Å; F343-F409 HydrophobicContact CZ-CZ 4.33Å; Y405-F409 WeakPolarHBondContact O-CD2 3.26Å; Y405-F409 PolarHBondContact O-N 3.48Å; Y405-F409 VanDerWaalsContact O-N 3.1Å; L406-F409 PolarHBondContact O-N 3.15Å; F409-E411 PolarHBondContact O-N 3.48Å; F409-T440 HydrophobicContact CB-CG2 3.85Å; F409-L441 HydrophobicContact CB-CD2 4.21Å; F409-L441 HydrophobicContact CD2-CD2 3.48Å; F409-L441 VanDerWaalsContact CD2-CD2 3.48Å; F409-L441 HydrophobicContact CE2-CD2 3.91Å; F409-L441 HydrophobicContact CG-CD2 3.88Å; F409-L444 HydrophobicContact CD1-CD2 3.42Å; F409-L444 VanDerWaalsContact CD1-CD2 3.42Å; F409-L444 HydrophobicContact CE1-CD2 3.61Å; F409-L444 HydrophobicContact CG-CD2 3.95Å; F409-L444 HydrophobicContact CZ-CD2 4.25Å
410	L	98.3	Very high	98.3	Very high	23 Å²	23	42.9 Å²	42.9	12%	0.12	21%	0.206	C	C	.	.			trans	-75.4	114.6	174.9	-177.1	66.2	0	0	0	108.9	R137 L406 R415 L416 L419	R137-L410 PolarHBondContact NH1-O 3.02Å; R137-L410 PolarHBondContact NH2-O 3.25Å; L406-L410 HydrophobicContact CB-CB 4.3Å; L406-L410 HydrophobicContact CD2-CB 4.03Å; L406-L410 HydrophobicContact CD2-CD2 4.4Å; L406-L410 VanDerWaalsContact O-CB 3.27Å; L406-L410 WeakPolarHBondContact O-CB 3.37Å; L406-L410 PolarHBondContact O-N 2.92Å; L410-R415 HydrophobicContact CD2-CB 4.36Å; L410-R415 HydrophobicContact CD2-CG 4.03Å; L410-L416 HydrophobicContact CD2-CB 4.08Å; L410-L416 HydrophobicContact CD2-CD1 4.18Å; L410-L419 HydrophobicContact CD2-CD1 3.67Å
411	E	96.4	Very high	98.3	Very high	133 Å²	133	48.3 Å²	48.3	62%	0.621	23%	0.231	S	C	*	.			trans	-74.7	-30.6	-170.6	-57.4	-155.8	137.5	0	0	114.4	R133 R137 F409 D413	R133-E411 IonicContact CZ-OE1 2.71Å; R133-E411 IonicContact NH1-OE1 3.28Å; R133-E411 PolarHBondContact NH1-OE1 3.02Å; R137-E411 PolarHBondContact NH2-O 3.31Å; F409-E411 PolarHBondContact O-N 3.48Å; E411-D413 PolarHBondContact O-N 2.84Å
412	D	97.9	Very high	98.3	Very high	86 Å²	86	49.1 Å²	49.1	46%	0.46	24%	0.238	S	C	.	.			trans	-77.8	116.5	-177.3	-173.7	-32.6	0	0	0	110.9	D414 R415 L416	D412-D414 PolarHBondContact OD1-N 3.14Å; D412-R415 HydrophobicContact CB-CB 3.83Å; D412-R415 PolarHBondContact OD1-N 3.24Å; D412-L416 WeakPolarHBondContact O-CB 3.34Å; D412-L416 PolarHBondContact O-N 3.36Å; D412-L416 VanDerWaalsContact O-N 3.15Å
413	D	97.3	Very high	98.3	Very high	47 Å²	47	49.1 Å²	49.1	25%	0.251	24%	0.238	S	C	.	.	H	α-helix	trans	-71.3	-38.4	-178.6	-67.2	-28.1	0	0	0	111.6	K130 R136 R137 E411 L416 E417	K130-D413 IonicContact NZ-OD2 2.93Å; R136-D413 IonicContact CZ-OD2 3.45Å; R136-D413 VanDerWaalsContact CZ-OD2 3.29Å; R136-D413 IonicContact NE-OD2 2.78Å; R136-D413 PolarHBondContact NE-OD2 3.39Å; R136-D413 IonicContact NH2-OD1 3.77Å; R136-D413 PolarHBondContact NH2-OD1 2.97Å; R136-D413 IonicContact NH2-OD2 3.26Å; R136-D413 PolarHBondContact NH2-OD2 2.98Å; R137-D413 IonicContact CZ-OD1 3.71Å; R137-D413 IonicContact NE-OD1 2.73Å; R137-D413 PolarHBondContact NE-OD1 2.82Å; R137-D413 IonicContact NH2-OD1 3.66Å; R137-D413 PolarHBondContact NH2-OD1 2.72Å; E411-D413 PolarHBondContact O-N 2.84Å; D413-L416 PolarHBondContact O-N 3.46Å; D413-E417 PolarHBondContact O-N 2.85Å
414	D	98	Very high	98.3	Very high	122 Å²	122	51.8 Å²	51.8	65%	0.652	26%	0.256	S	S	*	.	H	α-helix	trans	-69.7	-41.6	-179.4	-65.1	-28	0	0	0	110.1	D412 L416 E417 Q418	D412-D414 PolarHBondContact OD1-N 3.14Å; D414-L416 VanDerWaalsContact C-N 3.33Å; D414-L416 PolarHBondContact O-N 3.17Å; D414-E417 PolarHBondContact O-N 3.1Å; D414-Q418 VanDerWaalsContact O-CG 3.28Å; D414-Q418 WeakPolarHBondContact O-CG 3.33Å; D414-Q418 PolarHBondContact O-N 3.18Å
415	R	98.3	Very high	98.3	Very high	104 Å²	104	53.9 Å²	53.9	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-39.8	174.7	-176.3	57.4	-179.5	167	1.9	111.8	L410 D412 E417 Q418 L419	L410-R415 HydrophobicContact CD2-CB 4.36Å; L410-R415 HydrophobicContact CD2-CG 4.03Å; D412-R415 HydrophobicContact CB-CB 3.83Å; D412-R415 PolarHBondContact OD1-N 3.24Å; R415-E417 VanDerWaalsContact C-N 3.35Å; R415-Q418 PolarHBondContact O-N 2.96Å; R415-L419 HydrophobicContact CG-CD1 4.3Å; R415-L419 VanDerWaalsContact O-CG 3.26Å; R415-L419 WeakPolarHBondContact O-CG 3.42Å; R415-L419 PolarHBondContact O-N 2.97Å
416	L	98.6	Very high	98.3	Very high	18 Å²	18	54 Å²	54	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-62.3	-43.6	176.7	-176.5	67.8	0	0	0	111.3	F403 L406 T407 L410 D412 D413 D414 L419 K420	F403-L416 HydrophobicContact CE2-CD1 3.99Å; F403-L416 HydrophobicContact CZ-CD1 4.17Å; F403-L416 HydrophobicContact CZ-CG 4.43Å; L406-L416 HydrophobicContact CB-CD1 3.84Å; T407-L416 HydrophobicContact CG2-CD1 4.44Å; T407-L416 HydrophobicContact CG2-CD2 4.29Å; L410-L416 HydrophobicContact CD2-CB 4.08Å; L410-L416 HydrophobicContact CD2-CD1 4.18Å; D412-L416 WeakPolarHBondContact O-CB 3.34Å; D412-L416 PolarHBondContact O-N 3.36Å; D412-L416 VanDerWaalsContact O-N 3.15Å; D413-L416 PolarHBondContact O-N 3.46Å; D414-L416 VanDerWaalsContact C-N 3.33Å; D414-L416 PolarHBondContact O-N 3.17Å; L416-L419 PolarHBondContact O-N 3.48Å; L416-K420 PolarHBondContact O-N 3.14Å
417	E	98.5	Very high	98.3	Very high	84 Å²	84	60.6 Å²	60.6	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-66.9	-40.3	178	-177.5	55.7	-153.9	0	0	112	D413 D414 R415 L419 K420 Q421	D413-E417 PolarHBondContact O-N 2.85Å; D414-E417 PolarHBondContact O-N 3.1Å; R415-E417 VanDerWaalsContact C-N 3.35Å; E417-L419 VanDerWaalsContact C-N 3.33Å; E417-L419 PolarHBondContact O-N 2.97Å; E417-K420 WeakPolarHBondContact O-CB 3.38Å; E417-K420 PolarHBondContact O-N 3.14Å; E417-K420 WeakPolarHBondContact OE2-CD 3.45Å; E417-Q421 WeakPolarHBondContact O-CG 3.42Å; E417-Q421 PolarHBondContact O-N 3.14Å; E417-Q421 WeakPolarHBondContact OE1-CG 3.46Å; E417-Q421 PolarHBondContact OE1-NE2 2.83Å
418	Q	98.6	Very high	98.3	Very high	100 Å²	100	60.2 Å²	60.2	47%	0.467	30%	0.302	S	S	.	.	H	α-helix	trans	-57.2	-45.6	171.9	-73	169.2	11	0	0	111.9	D414 R415 K420 Q421 A422	D414-Q418 VanDerWaalsContact O-CG 3.28Å; D414-Q418 WeakPolarHBondContact O-CG 3.33Å; D414-Q418 PolarHBondContact O-N 3.18Å; R415-Q418 PolarHBondContact O-N 2.96Å; Q418-K420 VanDerWaalsContact C-N 3.32Å; Q418-K420 PolarHBondContact O-N 2.73Å; Q418-Q421 PolarHBondContact O-N 3.22Å; Q418-A422 VanDerWaalsContact O-CB 3.32Å; Q418-A422 WeakPolarHBondContact O-CB 3.4Å; Q418-A422 PolarHBondContact O-N 3.47Å
419	L	98.7	Very high	98.3	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-39	177.7	-68.7	167.6	0	0	0	111.5	L406 L410 R415 L416 E417 Y423 L428 V436	L406-L419 HydrophobicContact CD1-CD1 4.23Å; L410-L419 HydrophobicContact CD2-CD1 3.67Å; R415-L419 HydrophobicContact CG-CD1 4.3Å; R415-L419 VanDerWaalsContact O-CG 3.26Å; R415-L419 WeakPolarHBondContact O-CG 3.42Å; R415-L419 PolarHBondContact O-N 2.97Å; L416-L419 PolarHBondContact O-N 3.48Å; E417-L419 VanDerWaalsContact C-N 3.33Å; E417-L419 PolarHBondContact O-N 2.97Å; L419-Y423 VanDerWaalsContact O-CB 3.26Å; L419-Y423 WeakPolarHBondContact O-CB 3.33Å; L419-Y423 PolarHBondContact O-N 3.44Å; L419-L428 HydrophobicContact CD2-CD2 3.77Å; L419-V436 HydrophobicContact CD1-CG1 3.86Å; L419-V436 HydrophobicContact CD2-CG2 4.22Å
420	K	98.7	Very high	98.3	Very high	86 Å²	86	62.3 Å²	62.3	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-59.7	-50.7	175.4	-169	-175.2	178.2	-177.2	0	111	C397 F403 L416 E417 Q418 Y423 T424	C397-K420 HydrophobicContact CB-CG 4.43Å; F403-K420 HydrophobicContact CE1-CG 4.35Å; F403-K420 HydrophobicContact CE2-CB 3.65Å; F403-K420 HydrophobicContact CE2-CG 4.11Å; F403-K420 HydrophobicContact CZ-CB 3.58Å; F403-K420 HydrophobicContact CZ-CD 4.07Å; F403-K420 HydrophobicContact CZ-CG 3.66Å; L416-K420 PolarHBondContact O-N 3.14Å; E417-K420 WeakPolarHBondContact O-CB 3.38Å; E417-K420 PolarHBondContact O-N 3.14Å; E417-K420 WeakPolarHBondContact OE2-CD 3.45Å; Q418-K420 VanDerWaalsContact C-N 3.32Å; Q418-K420 PolarHBondContact O-N 2.73Å; K420-Y423 PolarHBondContact O-N 3.23Å; K420-T424 VanDerWaalsContact O-CB 3.25Å; K420-T424 WeakPolarHBondContact O-CB 3.45Å; K420-T424 PolarHBondContact O-N 2.88Å; K420-T424 PolarHBondContact O-OG1 2.81Å
421	Q	98.7	Very high	98.3	Very high	115 Å²	115	63.7 Å²	63.7	54%	0.537	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-45.3	-179.1	-68.7	174.1	6.2	0	0	111.7	E417 Q418 T424 S425	E417-Q421 WeakPolarHBondContact O-CG 3.42Å; E417-Q421 PolarHBondContact O-N 3.14Å; E417-Q421 WeakPolarHBondContact OE1-CG 3.46Å; E417-Q421 PolarHBondContact OE1-NE2 2.83Å; Q418-Q421 PolarHBondContact O-N 3.22Å; Q421-T424 PolarHBondContact O-N 3.42Å; Q421-S425 WeakPolarHBondContact O-CB 3.36Å; Q421-S425 PolarHBondContact O-N 2.86Å; Q421-S425 PolarHBondContact O-OG 2.93Å
422	A	98.7	Very high	98.4	Very high	17 Å²	17	61.5 Å²	61.5	14%	0.14	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-39.6	178.8	0	0	0	0	0	112.2	Q418 S425 G426 E427 L428	Q418-A422 VanDerWaalsContact O-CB 3.32Å; Q418-A422 WeakPolarHBondContact O-CB 3.4Å; Q418-A422 PolarHBondContact O-N 3.47Å; A422-S425 PolarHBondContact O-OG 2.9Å; A422-S425 VanDerWaalsContact O-OG 3.04Å; A422-G426 PolarHBondContact O-N 2.85Å; A422-E427 HydrophobicContact CB-CB 4.33Å; A422-E427 PolarHBondContact O-N 3.3Å; A422-L428 HydrophobicContact CB-CB 3.8Å; A422-L428 PolarHBondContact O-N 3.26Å
423	Y	98.8	Very high	98.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.5	-42.8	176.5	-165.2	-123.3	0	0	0	112.2	G383 H390 G395 D400 L419 K420 S425 G426 L428 T430 L433	G383-Y423 WeakPolarHBondContact CA-OH 3.39Å; G383-Y423 PolarHBondContact N-OH 3.2Å; H390-Y423 AromaticContact CE1-CD2 4Å; H390-Y423 AromaticContact CE1-CE2 3.44Å; H390-Y423 VanDerWaalsContact CE1-CE2 3.44Å; H390-Y423 WeakPolarHBondContact CE1-CE2 3.44Å; H390-Y423 AromaticContact CE1-CZ 3.94Å; H390-Y423 AromaticContact NE2-CD2 3.83Å; H390-Y423 AromaticContact NE2-CE2 3.6Å; G395-Y423 PolarHBondContact N-O 2.98Å; D400-Y423 HydrophobicContact CB-CE1 3.92Å; D400-Y423 WeakPolarHBondContact OD2-CE1 3.49Å; D400-Y423 PolarHBondContact OD2-OH 3.47Å; L419-Y423 VanDerWaalsContact O-CB 3.26Å; L419-Y423 WeakPolarHBondContact O-CB 3.33Å; L419-Y423 PolarHBondContact O-N 3.44Å; K420-Y423 PolarHBondContact O-N 3.23Å; Y423-S425 VanDerWaalsContact C-N 3.3Å; Y423-S425 PolarHBondContact O-N 3.47Å; Y423-G426 PolarHBondContact O-N 3.15Å; Y423-G426 VanDerWaalsContact O-N 3.17Å; Y423-L428 VanDerWaalsContact CD2-O 3.29Å; Y423-L428 WeakPolarHBondContact CD2-O 3.42Å; Y423-T430 PolarHBondContact OH-OG1 2.95Å; Y423-L433 HydrophobicContact CD1-CD2 3.95Å; Y423-L433 HydrophobicContact CD2-CB 4.42Å; Y423-L433 HydrophobicContact CD2-CD2 3.99Å; Y423-L433 HydrophobicContact CE1-CD2 3.77Å; Y423-L433 HydrophobicContact CE2-CB 4.43Å; Y423-L433 HydrophobicContact CE2-CD2 3.87Å; Y423-L433 HydrophobicContact CG-CD2 4.04Å
424	T	98.5	Very high	98.5	Very high	72 Å²	72	56 Å²	56	44%	0.442	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-31.3	179.9	-53.3	0	0	0	0	112.3	G394 K420 Q421	G394-T424 WeakPolarHBondContact CA-O 3.47Å; K420-T424 VanDerWaalsContact O-CB 3.25Å; K420-T424 WeakPolarHBondContact O-CB 3.45Å; K420-T424 PolarHBondContact O-N 2.88Å; K420-T424 PolarHBondContact O-OG1 2.81Å; Q421-T424 PolarHBondContact O-N 3.42Å
425	S	98.4	Very high	98.6	Very high	70 Å²	70	56.1 Å²	56.1	49%	0.49	29%	0.289	S	S	.	.	H	α-helix	trans	-81.5	-14.7	175.7	59.8	0	0	0	0	114	Q421 A422 Y423	Q421-S425 WeakPolarHBondContact O-CB 3.36Å; Q421-S425 PolarHBondContact O-N 2.86Å; Q421-S425 PolarHBondContact O-OG 2.93Å; A422-S425 PolarHBondContact O-OG 2.9Å; A422-S425 VanDerWaalsContact O-OG 3.04Å; Y423-S425 VanDerWaalsContact C-N 3.3Å; Y423-S425 PolarHBondContact O-N 3.47Å
426	G	98.2	Very high	98.6	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.021	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	5.1	-173.9	0	0	0	0	0	114.4	H390 R391 A422 Y423	H390-G426 VanDerWaalsContact O-CA 3.25Å; H390-G426 WeakPolarHBondContact O-CA 3.39Å; R391-G426 WeakPolarHBondContact CD-O 3.43Å; R391-G426 PolarHBondContact NH1-O 3.1Å; A422-G426 PolarHBondContact O-N 2.85Å; Y423-G426 PolarHBondContact O-N 3.15Å; Y423-G426 VanDerWaalsContact O-N 3.17Å
427	E	98.4	Very high	98.6	Very high	139 Å²	139	51.4 Å²	51.4	65%	0.65	27%	0.272	S	S	*	.	S	Bend	trans	-67.7	-40	173.3	-172.1	-170.6	157.1	0	0	112	R391 A422	R391-E427 VanDerWaalsContact NH1-CA 3.32Å; R391-E427 PolarHBondContact NH1-O 3.29Å; A422-E427 HydrophobicContact CB-CB 4.33Å; A422-E427 PolarHBondContact O-N 3.3Å
428	L	98.5	Very high	98.6	Very high	24 Å²	24	48 Å²	48	13%	0.126	26%	0.256	C	S	.	.	S	Bend	trans	-95.5	125	177.2	-173.2	73.4	0	0	0	109.5	H390 L419 A422 Y423 E432 L433	H390-L428 PolarHBondContact NE2-O 3.13Å; L419-L428 HydrophobicContact CD2-CD2 3.77Å; A422-L428 HydrophobicContact CB-CB 3.8Å; A422-L428 PolarHBondContact O-N 3.26Å; Y423-L428 VanDerWaalsContact CD2-O 3.29Å; Y423-L428 WeakPolarHBondContact CD2-O 3.42Å; L428-E432 HydrophobicContact CD1-CB 3.54Å; L428-E432 HydrophobicContact CG-CB 4.19Å; L428-L433 HydrophobicContact CD2-CB 3.95Å; L428-L433 HydrophobicContact CD2-CD1 3.99Å; L428-L433 HydrophobicContact CG-CB 4.49Å
429	L	98.6	Very high	98.6	Very high	38 Å²	38	48.3 Å²	48.3	20%	0.199	26%	0.258	C	S	.	.			trans	-80.4	155.9	175	-58.3	-178.8	0	0	0	111.4	I387 G431 E432 L433	I387-L429 HydrophobicContact CG2-CD2 4.27Å; L429-G431 VanDerWaalsContact C-N 3.25Å; L429-G431 PolarHBondContact O-N 3.2Å; L429-E432 HydrophobicContact CB-CG 4.32Å; L429-E432 WeakPolarHBondContact CB-OE2 3.15Å; L429-E432 PolarHBondContact N-OE2 3.29Å; L429-E432 WeakPolarHBondContact O-CB 3.28Å; L429-E432 PolarHBondContact O-N 2.81Å; L429-L433 PolarHBondContact O-N 3.14Å
430	T	98.6	Very high	98.6	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.153	27%	0.265	C	S	.	.	H	α-helix	trans	-54.4	-39.4	176.9	-55.7	0	0	0	0	113	S381 Y423 E432 L433 K434	S381-T430 VanDerWaalsContact OG-CG2 3.26Å; S381-T430 WeakPolarHBondContact OG-CG2 3.44Å; S381-T430 PolarHBondContact OG-OG1 2.98Å; Y423-T430 PolarHBondContact OH-OG1 2.95Å; T430-E432 VanDerWaalsContact C-N 3.26Å; T430-E432 PolarHBondContact O-N 3.07Å; T430-L433 PolarHBondContact O-N 3.47Å; T430-K434 HydrophobicContact CG2-CD 4.32Å; T430-K434 HydrophobicContact CG2-CG 4.43Å; T430-K434 WeakPolarHBondContact O-CB 3.26Å; T430-K434 WeakPolarHBondContact O-CG 3.46Å; T430-K434 PolarHBondContact O-N 3.12Å
431	G	98.3	Very high	98.6	Very high	53 Å²	53	45.3 Å²	45.3	55%	0.546	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-33.6	177.7	0	0	0	0	0	113.1	L429 K435	L429-G431 VanDerWaalsContact C-N 3.25Å; L429-G431 PolarHBondContact O-N 3.2Å; G431-K435 WeakPolarHBondContact O-CB 3.44Å; G431-K435 PolarHBondContact O-N 3.47Å; G431-K435 VanDerWaalsContact O-N 3.09Å
432	E	98.6	Very high	98.6	Very high	87 Å²	87	42.4 Å²	42.4	41%	0.407	23%	0.233	S	C	.	.	H	α-helix	trans	-76.9	-42	178.4	-60	172.6	127.7	0	0	110.8	L428 L429 T430 K434 K435 V436	L428-E432 HydrophobicContact CD1-CB 3.54Å; L428-E432 HydrophobicContact CG-CB 4.19Å; L429-E432 HydrophobicContact CB-CG 4.32Å; L429-E432 WeakPolarHBondContact CB-OE2 3.15Å; L429-E432 PolarHBondContact N-OE2 3.29Å; L429-E432 WeakPolarHBondContact O-CB 3.28Å; L429-E432 PolarHBondContact O-N 2.81Å; T430-E432 VanDerWaalsContact C-N 3.26Å; T430-E432 PolarHBondContact O-N 3.07Å; E432-K434 PolarHBondContact O-N 2.96Å; E432-K435 WeakPolarHBondContact O-CB 3.46Å; E432-K435 PolarHBondContact O-N 3.36Å; E432-K435 VanDerWaalsContact O-N 3.15Å; E432-V436 PolarHBondContact O-N 2.99Å; E432-V436 VanDerWaalsContact O-N 3.07Å
433	L	98.8	Very high	98.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-47.5	171.9	-179.6	67.6	0	0	0	111.6	D400 F403 L406 Y423 L428 L429 T430 K435 V436 L437	D400-L433 WeakPolarHBondContact OD1-CD2 3.31Å; F403-L433 HydrophobicContact CB-CD2 4.13Å; F403-L433 HydrophobicContact CD2-CD1 4.38Å; L406-L433 HydrophobicContact CD1-CD1 3.57Å; L406-L433 HydrophobicContact CD1-CG 4.45Å; Y423-L433 HydrophobicContact CD1-CD2 3.95Å; Y423-L433 HydrophobicContact CD2-CB 4.42Å; Y423-L433 HydrophobicContact CD2-CD2 3.99Å; Y423-L433 HydrophobicContact CE1-CD2 3.77Å; Y423-L433 HydrophobicContact CE2-CB 4.43Å; Y423-L433 HydrophobicContact CE2-CD2 3.87Å; Y423-L433 HydrophobicContact CG-CD2 4.04Å; L428-L433 HydrophobicContact CD2-CB 3.95Å; L428-L433 HydrophobicContact CD2-CD1 3.99Å; L428-L433 HydrophobicContact CG-CB 4.49Å; L429-L433 PolarHBondContact O-N 3.14Å; T430-L433 PolarHBondContact O-N 3.47Å; L433-K435 VanDerWaalsContact C-N 3.28Å; L433-K435 PolarHBondContact O-N 3.11Å; L433-V436 PolarHBondContact O-N 3.39Å; L433-L437 PolarHBondContact O-N 2.88Å; L433-L437 VanDerWaalsContact O-N 3.08Å
434	K	98.8	Very high	98.6	Very high	18 Å²	18	46.9 Å²	46.9	8%	0.078	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-38.2	175.5	-77.4	-173.2	178.3	-159.7	0	112.1	I375 N376 A379 S402 T430 E432 L437 I438	I375-K434 HydrophobicContact CG2-CB 3.95Å; I375-K434 HydrophobicContact CG2-CD 4.2Å; I375-K434 HydrophobicContact CG2-CG 3.93Å; I375-K434 WeakPolarHBondContact O-CE 3.09Å; I375-K434 PolarHBondContact O-NZ 3.47Å; N376-K434 PolarHBondContact O-NZ 3.01Å; N376-K434 VanDerWaalsContact O-NZ 3.15Å; A379-K434 WeakPolarHBondContact O-CE 3.43Å; A379-K434 PolarHBondContact O-NZ 3.1Å; S402-K434 WeakPolarHBondContact OG-CG 3.46Å; T430-K434 HydrophobicContact CG2-CD 4.32Å; T430-K434 HydrophobicContact CG2-CG 4.43Å; T430-K434 WeakPolarHBondContact O-CB 3.26Å; T430-K434 WeakPolarHBondContact O-CG 3.46Å; T430-K434 PolarHBondContact O-N 3.12Å; E432-K434 PolarHBondContact O-N 2.96Å; K434-L437 PolarHBondContact O-N 3.17Å; K434-I438 WeakPolarHBondContact O-CD1 3.37Å; K434-I438 WeakPolarHBondContact O-CG1 3.5Å; K434-I438 PolarHBondContact O-N 2.92Å
435	K	98.8	Very high	98.6	Very high	123 Å²	123	43.5 Å²	43.5	54%	0.535	24%	0.238	S	C	.	.	H	α-helix	trans	-61.4	-45.3	175.7	-178.7	-179.4	169.6	-173.2	0	111.5	G431 E432 L433 L437 I438 E439	G431-K435 WeakPolarHBondContact O-CB 3.44Å; G431-K435 PolarHBondContact O-N 3.47Å; G431-K435 VanDerWaalsContact O-N 3.09Å; E432-K435 WeakPolarHBondContact O-CB 3.46Å; E432-K435 PolarHBondContact O-N 3.36Å; E432-K435 VanDerWaalsContact O-N 3.15Å; L433-K435 VanDerWaalsContact C-N 3.28Å; L433-K435 PolarHBondContact O-N 3.11Å; K435-L437 VanDerWaalsContact C-N 3.31Å; K435-L437 PolarHBondContact O-N 3.27Å; K435-I438 WeakPolarHBondContact O-CB 3.33Å; K435-I438 PolarHBondContact O-N 3.29Å; K435-E439 WeakPolarHBondContact CE-OE1 3.32Å; K435-E439 IonicContact NZ-OE1 3.77Å; K435-E439 WeakPolarHBondContact O-CG 3.45Å; K435-E439 PolarHBondContact O-N 2.86Å
436	V	98.8	Very high	98.6	Very high	23 Å²	23	42.2 Å²	42.2	14%	0.139	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-41.9	175.7	179.1	0	0	0	0	111.2	L406 L419 E432 L433 E439 T440	L406-V436 HydrophobicContact CD1-CG1 4.44Å; L406-V436 HydrophobicContact CD2-CG1 4.06Å; L419-V436 HydrophobicContact CD1-CG1 3.86Å; L419-V436 HydrophobicContact CD2-CG2 4.22Å; E432-V436 PolarHBondContact O-N 2.99Å; E432-V436 VanDerWaalsContact O-N 3.07Å; L433-V436 PolarHBondContact O-N 3.39Å; V436-E439 PolarHBondContact O-N 3.34Å; V436-T440 WeakPolarHBondContact O-CB 3.49Å; V436-T440 PolarHBondContact O-N 3.03Å; V436-T440 PolarHBondContact O-OG1 3.02Å
437	L	98.8	Very high	98.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-43.3	175.2	176.5	63.4	0	0	0	112.4	I375 Y405 L406 L433 K434 K435 E439 T440 L441	I375-L437 HydrophobicContact CD1-CD2 4.19Å; I375-L437 HydrophobicContact CD1-CG 4.09Å; I375-L437 HydrophobicContact CG1-CD2 4.25Å; I375-L437 HydrophobicContact CG2-CD2 4.08Å; Y405-L437 HydrophobicContact CD2-CD1 4.43Å; Y405-L437 HydrophobicContact CD2-CD2 3.97Å; Y405-L437 HydrophobicContact CG-CD2 4.31Å; L406-L437 HydrophobicContact CD2-CB 4.21Å; L406-L437 HydrophobicContact CD2-CD1 4.13Å; L406-L437 HydrophobicContact CG-CB 4.23Å; L406-L437 HydrophobicContact CG-CD1 4.14Å; L433-L437 PolarHBondContact O-N 2.88Å; L433-L437 VanDerWaalsContact O-N 3.08Å; K434-L437 PolarHBondContact O-N 3.17Å; K435-L437 VanDerWaalsContact C-N 3.31Å; K435-L437 PolarHBondContact O-N 3.27Å; L437-E439 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 3.31Å; L437-T440 WeakPolarHBondContact O-CB 3.46Å; L437-T440 PolarHBondContact O-N 3.47Å; L437-T440 VanDerWaalsContact O-N 3.13Å; L437-L441 HydrophobicContact CD1-CD1 3.69Å; L437-L441 HydrophobicContact CD1-CD2 4.48Å; L437-L441 HydrophobicContact CD1-CG 3.72Å; L437-L441 HydrophobicContact CD2-CD1 4.44Å; L437-L441 HydrophobicContact CG-CD1 3.98Å; L437-L441 HydrophobicContact CG-CG 4.29Å; L437-L441 PolarHBondContact O-N 3.41Å
438	I	98.8	Very high	98.6	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.062	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-46.5	176.8	-69.6	158	0	0	0	110.2	K372 I375 K434 K435 T440 L441 Q442	K372-I438 HydrophobicContact CB-CD1 4.3Å; K372-I438 HydrophobicContact CB-CG2 4.2Å; K372-I438 HydrophobicContact CG-CD1 3.92Å; I375-I438 HydrophobicContact CB-CD1 4.42Å; I375-I438 HydrophobicContact CB-CG1 4.04Å; I375-I438 HydrophobicContact CD1-CB 4.41Å; I375-I438 HydrophobicContact CD1-CG1 3.56Å; I375-I438 HydrophobicContact CG1-CG1 4.42Å; I375-I438 HydrophobicContact CG2-CD1 4.22Å; I375-I438 HydrophobicContact CG2-CG1 3.97Å; K434-I438 WeakPolarHBondContact O-CD1 3.37Å; K434-I438 WeakPolarHBondContact O-CG1 3.5Å; K434-I438 PolarHBondContact O-N 2.92Å; K435-I438 WeakPolarHBondContact O-CB 3.33Å; K435-I438 PolarHBondContact O-N 3.29Å; I438-T440 PolarHBondContact O-N 3.16Å; I438-L441 PolarHBondContact O-N 2.99Å; I438-Q442 HydrophobicContact CG2-CG 4.04Å; I438-Q442 WeakPolarHBondContact O-CB 3.46Å; I438-Q442 VanDerWaalsContact O-CG 3.3Å; I438-Q442 WeakPolarHBondContact O-CG 3.2Å; I438-Q442 PolarHBondContact O-N 2.82Å
439	E	98.6	Very high	98.6	Very high	108 Å²	108	39.6 Å²	39.6	51%	0.505	22%	0.224	S	C	.	.	H	α-helix	trans	-65.7	-23.5	178.1	-71.3	170.3	178.3	0	0	112.6	K435 V436 L437 P443	K435-E439 WeakPolarHBondContact CE-OE1 3.32Å; K435-E439 IonicContact NZ-OE1 3.77Å; K435-E439 WeakPolarHBondContact O-CG 3.45Å; K435-E439 PolarHBondContact O-N 2.86Å; V436-E439 PolarHBondContact O-N 3.34Å; L437-E439 VanDerWaalsContact C-N 3.32Å; L437-E439 PolarHBondContact O-N 3.31Å; E439-P443 WeakPolarHBondContact O-CD 3.37Å; E439-P443 WeakPolarHBondContact O-CG 3.49Å
440	T	98.6	Very high	98.6	Very high	25 Å²	25	41.8 Å²	41.8	15%	0.153	23%	0.233	C	C	.	.	H	α-helix	trans	-81.6	-44.3	173.8	-55.7	0	0	0	0	111.9	F409 V436 L437 I438 P443	F409-T440 HydrophobicContact CB-CG2 3.85Å; V436-T440 WeakPolarHBondContact O-CB 3.49Å; V436-T440 PolarHBondContact O-N 3.03Å; V436-T440 PolarHBondContact O-OG1 3.02Å; L437-T440 WeakPolarHBondContact O-CB 3.46Å; L437-T440 PolarHBondContact O-N 3.47Å; L437-T440 VanDerWaalsContact O-N 3.13Å; I438-T440 PolarHBondContact O-N 3.16Å; T440-P443 WeakPolarHBondContact O-CG 3.48Å
441	L	98.5	Very high	98.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-81.9	-33.5	-173.3	-71.7	-176	0	0	0	114.3	I362 I371 I375 Y405 F409 L437 I438 L444 I445	I362-L441 HydrophobicContact CD1-CD1 3.76Å; I371-L441 HydrophobicContact CG2-CB 4.19Å; I375-L441 HydrophobicContact CD1-CD1 3.99Å; Y405-L441 HydrophobicContact CD2-CD1 4.15Å; F409-L441 HydrophobicContact CB-CD2 4.21Å; F409-L441 HydrophobicContact CD2-CD2 3.48Å; F409-L441 VanDerWaalsContact CD2-CD2 3.48Å; F409-L441 HydrophobicContact CE2-CD2 3.91Å; F409-L441 HydrophobicContact CG-CD2 3.88Å; L437-L441 HydrophobicContact CD1-CD1 3.69Å; L437-L441 HydrophobicContact CD1-CD2 4.48Å; L437-L441 HydrophobicContact CD1-CG 3.72Å; L437-L441 HydrophobicContact CD2-CD1 4.44Å; L437-L441 HydrophobicContact CG-CD1 3.98Å; L437-L441 HydrophobicContact CG-CG 4.29Å; L437-L441 PolarHBondContact O-N 3.41Å; I438-L441 PolarHBondContact O-N 2.99Å; L441-L444 HydrophobicContact CD2-CD2 3.91Å; L441-L444 PolarHBondContact O-N 3.38Å; L441-I445 WeakPolarHBondContact O-CG1 3.43Å; L441-I445 PolarHBondContact O-N 3.47Å
442	Q	98.7	Very high	98.6	Very high	54 Å²	54	46.3 Å²	46.3	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-57.3	-52.1	177.5	-76.5	-177.8	-13.4	0	0	113.1	P368 I371 I438 L444 I445 A446	P368-Q442 HydrophobicContact CB-CG 4.22Å; P368-Q442 PolarHBondContact O-NE2 3.31Å; I371-Q442 HydrophobicContact CB-CG 4.46Å; I371-Q442 HydrophobicContact CD1-CG 4.29Å; I371-Q442 HydrophobicContact CG2-CG 4.25Å; I438-Q442 HydrophobicContact CG2-CG 4.04Å; I438-Q442 WeakPolarHBondContact O-CB 3.46Å; I438-Q442 VanDerWaalsContact O-CG 3.3Å; I438-Q442 WeakPolarHBondContact O-CG 3.2Å; I438-Q442 PolarHBondContact O-N 2.82Å; Q442-L444 VanDerWaalsContact C-N 3.34Å; Q442-L444 PolarHBondContact O-N 3.09Å; Q442-I445 PolarHBondContact O-N 2.79Å; Q442-A446 WeakPolarHBondContact O-CB 3.41Å; Q442-A446 PolarHBondContact O-N 3.01Å
443	P	98.4	Very high	98.6	Very high	68 Å²	68	49.1 Å²	49.1	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-67.7	-33.4	178.3	26	-34.2	0	0	0	112.7	E439 T440 S447	E439-P443 WeakPolarHBondContact O-CD 3.37Å; E439-P443 WeakPolarHBondContact O-CG 3.49Å; T440-P443 WeakPolarHBondContact O-CG 3.48Å; P443-S447 VanDerWaalsContact O-CB 3.25Å; P443-S447 WeakPolarHBondContact O-CB 3.49Å; P443-S447 PolarHBondContact O-N 3.05Å; P443-S447 PolarHBondContact O-OG 3.47Å
444	L	98.2	Very high	98.6	Very high	44 Å²	44	55 Å²	55	23%	0.23	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-53.9	174.8	174.8	69.5	0	0	0	111.1	L177 F409 L441 Q442 S447 H448	L177-L444 HydrophobicContact CD1-CD2 4.4Å; F409-L444 HydrophobicContact CD1-CD2 3.42Å; F409-L444 VanDerWaalsContact CD1-CD2 3.42Å; F409-L444 HydrophobicContact CE1-CD2 3.61Å; F409-L444 HydrophobicContact CG-CD2 3.95Å; F409-L444 HydrophobicContact CZ-CD2 4.25Å; L441-L444 HydrophobicContact CD2-CD2 3.91Å; L441-L444 PolarHBondContact O-N 3.38Å; Q442-L444 VanDerWaalsContact C-N 3.34Å; Q442-L444 PolarHBondContact O-N 3.09Å; L444-S447 PolarHBondContact O-N 3.17Å; L444-H448 PolarHBondContact O-N 2.95Å
445	I	98.6	Very high	98.5	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-42.3	-178	-67.9	168	0	0	0	110.4	V174 I362 L364 I371 L441 Q442 S447 H448 Q449	V174-I445 HydrophobicContact CG1-CD1 3.84Å; V174-I445 HydrophobicContact CG1-CG1 4.15Å; I362-I445 HydrophobicContact CG2-CD1 3.62Å; L364-I445 WeakPolarHBondContact O-CG2 3.48Å; I371-I445 HydrophobicContact CD1-CB 4.02Å; I371-I445 HydrophobicContact CD1-CD1 3.5Å; I371-I445 VanDerWaalsContact CD1-CD1 3.5Å; I371-I445 HydrophobicContact CD1-CG1 4.34Å; I371-I445 HydrophobicContact CD1-CG2 4.11Å; I371-I445 HydrophobicContact CG1-CD1 3.88Å; L441-I445 WeakPolarHBondContact O-CG1 3.43Å; L441-I445 PolarHBondContact O-N 3.47Å; Q442-I445 PolarHBondContact O-N 2.79Å; I445-S447 VanDerWaalsContact C-N 3.31Å; I445-S447 PolarHBondContact O-N 3.13Å; I445-H448 PolarHBondContact O-N 3.31Å; I445-Q449 HydrophobicContact CG2-CG 4.22Å; I445-Q449 WeakPolarHBondContact O-CB 3.26Å; I445-Q449 VanDerWaalsContact O-CG 3.29Å; I445-Q449 WeakPolarHBondContact O-CG 3.49Å; I445-Q449 PolarHBondContact O-N 2.85Å
446	A	98.6	Very high	98.5	Very high	43 Å²	43	52.3 Å²	52.3	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-40.8	176.9	0	0	0	0	0	112.1	Q442 Q449 E450	Q442-A446 WeakPolarHBondContact O-CB 3.41Å; Q442-A446 PolarHBondContact O-N 3.01Å; A446-Q449 PolarHBondContact O-N 3.39Å; A446-E450 WeakPolarHBondContact O-CB 3.28Å; A446-E450 PolarHBondContact O-N 3.38Å
447	S	98.4	Very high	98.5	Very high	56 Å²	56	56.2 Å²	56.2	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-67.9	-37.8	177	-57.6	0	0	0	0	112.2	P443 L444 I445 R451	P443-S447 VanDerWaalsContact O-CB 3.25Å; P443-S447 WeakPolarHBondContact O-CB 3.49Å; P443-S447 PolarHBondContact O-N 3.05Å; P443-S447 PolarHBondContact O-OG 3.47Å; L444-S447 PolarHBondContact O-N 3.17Å; I445-S447 VanDerWaalsContact C-N 3.31Å; I445-S447 PolarHBondContact O-N 3.13Å; S447-R451 WeakPolarHBondContact O-CG 3.4Å; S447-R451 PolarHBondContact O-N 3.08Å; S447-R451 PolarHBondContact O-NH1 3.48Å
448	H	98.6	Very high	98.5	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-63.5	-48	172.7	174.5	-85.3	0	0	0	111.1	D224 L364 L444 I445 E450 R451 R452	D224-H448 PolarHBondContact O-NE2 2.9Å; D224-H448 IonicContact OD1-CE1 3.61Å; D224-H448 PolarHBondContact OD1-CE1 2.96Å; L364-H448 VanDerWaalsContact CD1-CE1 3.48Å; L364-H448 WeakPolarHBondContact CD1-CE1 3.3Å; L444-H448 PolarHBondContact O-N 2.95Å; I445-H448 PolarHBondContact O-N 3.31Å; H448-E450 VanDerWaalsContact C-N 3.29Å; H448-E450 PolarHBondContact O-N 3.42Å; H448-R451 PolarHBondContact O-N 2.9Å; H448-R452 WeakPolarHBondContact O-CB 3.37Å; H448-R452 PolarHBondContact O-N 3.28Å
449	Q	98.6	Very high	98.5	Very high	50 Å²	50	64.6 Å²	64.6	23%	0.234	32%	0.324	C	S	.	.	H	α-helix	trans	-57.6	-42	176.7	-72.4	171.5	-4.1	0	0	111.7	L364 D366 I445 A446 R452 K453	L364-Q449 VanDerWaalsContact O-CG 3.23Å; L364-Q449 WeakPolarHBondContact O-CG 3.22Å; L364-Q449 PolarHBondContact O-NE2 3.44Å; D366-Q449 PolarHBondContact O-NE2 2.88Å; I445-Q449 HydrophobicContact CG2-CG 4.22Å; I445-Q449 WeakPolarHBondContact O-CB 3.26Å; I445-Q449 VanDerWaalsContact O-CG 3.29Å; I445-Q449 WeakPolarHBondContact O-CG 3.49Å; I445-Q449 PolarHBondContact O-N 2.85Å; A446-Q449 PolarHBondContact O-N 3.39Å; Q449-R452 PolarHBondContact O-N 2.91Å; Q449-K453 WeakPolarHBondContact O-CG 3.5Å; Q449-K453 PolarHBondContact O-N 2.97Å
450	E	98.6	Very high	98.5	Very high	85 Å²	85	59.7 Å²	59.7	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-65.8	-45.6	178	-169.3	51.6	-139.1	0	0	111.9	A446 H448 R452 K453 Q454	A446-E450 WeakPolarHBondContact O-CB 3.28Å; A446-E450 PolarHBondContact O-N 3.38Å; H448-E450 VanDerWaalsContact C-N 3.29Å; H448-E450 PolarHBondContact O-N 3.42Å; E450-R452 VanDerWaalsContact C-N 3.31Å; E450-R452 PolarHBondContact O-N 3.38Å; E450-K453 PolarHBondContact O-N 2.74Å; E450-K453 IonicContact OE2-NZ 2.71Å; E450-K453 PolarHBondContact OE2-NZ 3.38Å; E450-Q454 PolarHBondContact O-N 3.01Å; E450-Q454 PolarHBondContact OE1-NE2 3.39Å; E450-Q454 VanDerWaalsContact OE1-NE2 3.16Å
451	R	98.6	Very high	98.5	Very high	111 Å²	111	65.8 Å²	65.8	42%	0.419	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-40.3	173.3	-71.2	-171.6	-59.6	-88.7	-0.6	112.1	A227 S447 H448 K453 Q454	A227-R451 HydrophobicContact CB-CB 4.19Å; A227-R451 PolarHBondContact O-NE 2.94Å; A227-R451 PolarHBondContact O-NH2 3.34Å; S447-R451 WeakPolarHBondContact O-CG 3.4Å; S447-R451 PolarHBondContact O-N 3.08Å; S447-R451 PolarHBondContact O-NH1 3.48Å; H448-R451 PolarHBondContact O-N 2.9Å; R451-K453 VanDerWaalsContact C-N 3.33Å; R451-K453 PolarHBondContact O-N 3.17Å; R451-Q454 WeakPolarHBondContact O-CB 3.33Å; R451-Q454 PolarHBondContact O-N 2.97Å; R451-Q454 VanDerWaalsContact O-N 3.12Å
452	R	98.4	Very high	98.5	Very high	61 Å²	61	70.1 Å²	70.1	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-37.9	178.1	-165.8	-167.2	-172.4	-82.5	0	112.3	E220 K223 D224 A227 H448 Q449 E450 Q454 V455	E220-R452 PolarHBondContact O-NH2 3.34Å; E220-R452 IonicContact OE2-CZ 2.62Å; E220-R452 IonicContact OE2-NH1 2.69Å; E220-R452 IonicContact OE2-NH2 3.75Å; E220-R452 PolarHBondContact OE2-NH2 2.95Å; K223-R452 HydrophobicContact CB-CG 4.39Å; D224-R452 WeakPolarHBondContact OD1-CD 3.45Å; D224-R452 IonicContact OD1-CZ 2.69Å; D224-R452 IonicContact OD1-NE 3.63Å; D224-R452 PolarHBondContact OD1-NE 2.86Å; A227-R452 HydrophobicContact CB-CB 3.71Å; A227-R452 HydrophobicContact CB-CG 4.26Å; H448-R452 WeakPolarHBondContact O-CB 3.37Å; H448-R452 PolarHBondContact O-N 3.28Å; Q449-R452 PolarHBondContact O-N 2.91Å; E450-R452 VanDerWaalsContact C-N 3.31Å; E450-R452 PolarHBondContact O-N 3.38Å; R452-Q454 PolarHBondContact O-N 3.37Å; R452-V455 VanDerWaalsContact O-CB 3.3Å; R452-V455 WeakPolarHBondContact O-CB 3.4Å; R452-V455 PolarHBondContact O-N 2.98Å
453	K	98.3	Very high	98.5	Very high	147 Å²	147	67.7 Å²	67.7	64%	0.639	34%	0.335	S	S	*	.	H	α-helix	trans	-62.7	-29.8	175.4	-71.2	171.6	-162.5	162.4	0	113	Q449 E450 R451 V455	Q449-K453 WeakPolarHBondContact O-CG 3.5Å; Q449-K453 PolarHBondContact O-N 2.97Å; E450-K453 PolarHBondContact O-N 2.74Å; E450-K453 IonicContact OE2-NZ 2.71Å; E450-K453 PolarHBondContact OE2-NZ 3.38Å; R451-K453 VanDerWaalsContact C-N 3.33Å; R451-K453 PolarHBondContact O-N 3.17Å; K453-V455 PolarHBondContact O-N 3Å
454	Q	98.3	Very high	98.5	Very high	122 Å²	122	65.7 Å²	65.7	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.1	176.4	-52.2	-56.8	-31.2	0	0	112.3	E450 R451 R452 T456 M459	E450-Q454 PolarHBondContact O-N 3.01Å; E450-Q454 PolarHBondContact OE1-NE2 3.39Å; E450-Q454 VanDerWaalsContact OE1-NE2 3.16Å; R451-Q454 WeakPolarHBondContact O-CB 3.33Å; R451-Q454 PolarHBondContact O-N 2.97Å; R451-Q454 VanDerWaalsContact O-N 3.12Å; R452-Q454 PolarHBondContact O-N 3.37Å; Q454-T456 PolarHBondContact O-N 3.44Å; Q454-M459 WeakPolarHBondContact O-CE 3.48Å
455	V	98.6	Very high	98.5	Very high	15 Å²	15	66.4 Å²	66.4	9%	0.091	33%	0.326	C	S	.	.			trans	-79.6	102.4	177.2	-174.9	0	0	0	0	110.9	K223 I226 R452 K453 M459 V460	K223-V455 HydrophobicContact CB-CG1 4.2Å; K223-V455 HydrophobicContact CG-CG1 3.92Å; I226-V455 HydrophobicContact CB-CG1 4.34Å; I226-V455 HydrophobicContact CB-CG2 4.22Å; I226-V455 HydrophobicContact CD1-CG1 4.14Å; I226-V455 HydrophobicContact CG2-CG1 4.12Å; I226-V455 HydrophobicContact CG2-CG2 3.76Å; R452-V455 VanDerWaalsContact O-CB 3.3Å; R452-V455 WeakPolarHBondContact O-CB 3.4Å; R452-V455 PolarHBondContact O-N 2.98Å; K453-V455 PolarHBondContact O-N 3Å; V455-M459 VanDerWaalsContact CA-CE 3.42Å; V455-M459 HydrophobicContact CB-CE 3.97Å; V455-M459 HydrophobicContact CG1-CE 4Å; V455-M459 HydrophobicContact CG2-CE 3.89Å; V455-V460 HydrophobicContact CG1-CG2 3.59Å
456	T	98.5	Very high	98.4	Very high	71 Å²	71	69 Å²	69	44%	0.436	34%	0.343	S	S	.	.			trans	-81.9	160	174.2	75.3	0	0	0	0	111.7	Q454 E458 M459 V460	Q454-T456 PolarHBondContact O-N 3.44Å; T456-E458 VanDerWaalsContact C-N 3.25Å; T456-E458 WeakPolarHBondContact CB-OE2 3.44Å; T456-E458 PolarHBondContact O-N 3.4Å; T456-E458 PolarHBondContact OG1-OE2 2.9Å; T456-M459 WeakPolarHBondContact O-CB 3.49Å; T456-M459 PolarHBondContact O-N 3.43Å; T456-M459 VanDerWaalsContact O-N 3.11Å; T456-M459 PolarHBondContact OG1-N 3.22Å; T456-V460 PolarHBondContact O-N 3.47Å
457	D	98.2	Very high	98.3	Very high	104 Å²	104	69.1 Å²	69.1	56%	0.556	34%	0.335	S	S	*	.	H	α-helix	trans	-64.6	-32	176.6	-65.7	-26.9	0	0	0	111.5	K223 M459 V460 K461	K223-D457 IonicContact NZ-OD1 2.68Å; K223-D457 PolarHBondContact NZ-OD1 2.99Å; D457-M459 VanDerWaalsContact C-N 3.33Å; D457-M459 PolarHBondContact O-N 3.05Å; D457-V460 PolarHBondContact O-N 2.96Å; D457-K461 VanDerWaalsContact O-CB 3.28Å; D457-K461 WeakPolarHBondContact O-CB 3.36Å; D457-K461 PolarHBondContact O-N 3.3Å
458	E	98.4	Very high	98.3	Very high	137 Å²	137	71.9 Å²	71.9	64%	0.64	34%	0.34	S	S	*	.	H	α-helix	trans	-62.6	-40.5	171.8	-66.5	71.1	-156.1	0	0	111.8	T456 K461 Q462	T456-E458 VanDerWaalsContact C-N 3.25Å; T456-E458 WeakPolarHBondContact CB-OE2 3.44Å; T456-E458 PolarHBondContact O-N 3.4Å; T456-E458 PolarHBondContact OG1-OE2 2.9Å; E458-K461 PolarHBondContact O-N 3.04Å; E458-Q462 WeakPolarHBondContact O-CB 3.5Å; E458-Q462 PolarHBondContact O-N 3.33Å
459	M	98.4	Very high	98.2	Very high	51 Å²	51	72 Å²	72	25%	0.251	34%	0.34	S	S	.	.	H	α-helix	trans	-66.5	-46.2	177.1	-178.8	156.9	54.3	0	0	110.6	I226 I232 Q454 V455 T456 D457 K461 Q462 F463	I226-M459 HydrophobicContact CG2-CE 4.09Å; I226-M459 HydrophobicContact CG2-CG 4.33Å; I226-M459 HydrophobicContact CG2-SD 4.15Å; I232-M459 HydrophobicContact CD1-CG 3.98Å; Q454-M459 WeakPolarHBondContact O-CE 3.48Å; V455-M459 VanDerWaalsContact CA-CE 3.42Å; V455-M459 HydrophobicContact CB-CE 3.97Å; V455-M459 HydrophobicContact CG1-CE 4Å; V455-M459 HydrophobicContact CG2-CE 3.89Å; T456-M459 WeakPolarHBondContact O-CB 3.49Å; T456-M459 PolarHBondContact O-N 3.43Å; T456-M459 VanDerWaalsContact O-N 3.11Å; T456-M459 PolarHBondContact OG1-N 3.22Å; D457-M459 VanDerWaalsContact C-N 3.33Å; D457-M459 PolarHBondContact O-N 3.05Å; M459-K461 VanDerWaalsContact C-N 3.32Å; M459-K461 PolarHBondContact O-N 3.28Å; M459-Q462 PolarHBondContact O-N 2.91Å; M459-Q462 VanDerWaalsContact O-N 3.13Å; M459-F463 HydrophobicContact CG-CD2 3.73Å; M459-F463 WeakPolarHBondContact O-CD2 3.49Å; M459-F463 HydrophobicContact CG-CE2 3.67Å; M459-F463 HydrophobicContact SD-CE2 4.03Å; M459-F463 PolarHBondContact O-N 3.47Å
460	V	98.7	Very high	98.1	Very high	6 Å²	6	73 Å²	73	4%	0.036	36%	0.357	C	S	.	.	H	α-helix	trans	-55.8	-50	174.4	178.5	0	0	0	0	110.5	I219 A222 K223 I226 V455 T456 D457 Q462 F463 M464	I219-V460 HydrophobicContact CG2-CG1 4.25Å; A222-V460 HydrophobicContact CB-CG1 4.21Å; K223-V460 HydrophobicContact CD-CG2 4.43Å; K223-V460 HydrophobicContact CG-CG2 3.56Å; I226-V460 HydrophobicContact CD1-CB 4.36Å; I226-V460 HydrophobicContact CD1-CG2 3.95Å; V455-V460 HydrophobicContact CG1-CG2 3.59Å; T456-V460 PolarHBondContact O-N 3.47Å; D457-V460 PolarHBondContact O-N 2.96Å; V460-Q462 VanDerWaalsContact C-N 3.29Å; V460-Q462 PolarHBondContact O-N 3.04Å; V460-F463 PolarHBondContact O-N 2.9Å; V460-M464 PolarHBondContact O-N 3.43Å; V460-M464 WeakPolarHBondContact O-CG 3.44Å; V460-M464 WeakPolarHBondContact O-CB 3.39Å; V460-M464 HydrophobicContact CG1-SD 3.7Å; V460-M464 HydrophobicContact CG1-CG 4.37Å
461	K	98.4	Very high	97.9	Very high	152 Å²	152	70.5 Å²	70.5	66%	0.661	35%	0.345	S	S	*	.	H	α-helix	trans	-57.1	-42.8	177.1	-177.1	177.5	-179.6	178	0	111.5	D457 E458 M459 M464 T465	D457-K461 VanDerWaalsContact O-CB 3.28Å; D457-K461 WeakPolarHBondContact O-CB 3.36Å; D457-K461 PolarHBondContact O-N 3.3Å; E458-K461 PolarHBondContact O-N 3.04Å; M459-K461 VanDerWaalsContact C-N 3.32Å; M459-K461 PolarHBondContact O-N 3.28Å; K461-M464 CarbonylContact O-C 3.56Å; K461-M464 PolarHBondContact O-N 3.1Å; K461-T465 WeakPolarHBondContact O-CB 3.35Å; K461-T465 PolarHBondContact O-N 3.1Å; K461-T465 PolarHBondContact O-OG1 3.44Å
462	Q	98.4	Very high	97.2	Very high	91 Å²	91	72.4 Å²	72.4	43%	0.425	36%	0.358	S	S	.	.	H	α-helix	trans	-65	-47.3	178.7	-177.4	177.9	-2	0	0	111.6	I232 E458 M459 V460 M464 T465 R467	I232-Q462 HydrophobicContact CD1-CB 4.03Å; I232-Q462 HydrophobicContact CD1-CG 3.73Å; I232-Q462 VanDerWaalsContact CD1-OE1 3.31Å; I232-Q462 HydrophobicContact CG1-CG 4.09Å; E458-Q462 WeakPolarHBondContact O-CB 3.5Å; E458-Q462 PolarHBondContact O-N 3.33Å; M459-Q462 PolarHBondContact O-N 2.91Å; M459-Q462 VanDerWaalsContact O-N 3.13Å; V460-Q462 VanDerWaalsContact C-N 3.29Å; V460-Q462 PolarHBondContact O-N 3.04Å; Q462-M464 PolarHBondContact O-N 3.3Å; Q462-T465 PolarHBondContact O-N 3.3Å; Q462-R467 PolarHBondContact O-NH1 3.34Å
463	F	98.8	Very high	96.5	Very high	3 Å²	3	72 Å²	72	1%	0.013	36%	0.358	C	S	.	.	H	α-helix	trans	-56.4	-39.3	173.8	-89.5	-87.2	0	0	0	111.6	I226 F230 I232 T235 I237 M459 V460 R467	I226-F463 HydrophobicContact CB-CE2 4.38Å; I226-F463 HydrophobicContact CD1-CB 4.03Å; I226-F463 HydrophobicContact CD1-CD2 3.56Å; I226-F463 HydrophobicContact CD1-CE2 4.16Å; I226-F463 HydrophobicContact CD1-CG 3.86Å; I226-F463 HydrophobicContact CG1-CB 4.41Å; I226-F463 HydrophobicContact CG1-CD1 4.2Å; I226-F463 HydrophobicContact CG1-CD2 3.67Å; I226-F463 HydrophobicContact CG1-CE1 4.36Å; I226-F463 HydrophobicContact CG1-CE2 3.87Å; I226-F463 HydrophobicContact CG1-CG 3.85Å; I226-F463 HydrophobicContact CG1-CZ 4.21Å; I226-F463 HydrophobicContact CG2-CD2 4.17Å; I226-F463 HydrophobicContact CG2-CE2 3.64Å; I226-F463 HydrophobicContact CG2-CZ 4.09Å; F230-F463 HydrophobicContact CB-CE1 4.28Å; I232-F463 HydrophobicContact CB-CD2 4.37Å; I232-F463 HydrophobicContact CB-CE1 4.16Å; I232-F463 HydrophobicContact CB-CE2 3.69Å; I232-F463 HydrophobicContact CB-CZ 3.56Å; I232-F463 HydrophobicContact CD1-CD2 3.71Å; I232-F463 HydrophobicContact CD1-CE2 3.57Å; I232-F463 HydrophobicContact CD1-CZ 4.34Å; I232-F463 HydrophobicContact CG1-CD1 4.41Å; I232-F463 HydrophobicContact CG1-CD2 3.7Å; I232-F463 HydrophobicContact CG1-CE1 4.26Å; I232-F463 HydrophobicContact CG1-CE2 3.5Å; I232-F463 HydrophobicContact CG1-CG 4.15Å; I232-F463 HydrophobicContact CG1-CZ 3.81Å; T235-F463 HydrophobicContact CG2-CD1 4.08Å; T235-F463 HydrophobicContact CG2-CE1 4.08Å; I237-F463 HydrophobicContact CD1-CB 4.2Å; I237-F463 HydrophobicContact CD1-CD1 3.99Å; I237-F463 HydrophobicContact CD1-CG 4.3Å; I237-F463 HydrophobicContact CG1-CB 4.31Å; I237-F463 HydrophobicContact CG1-CD1 4.16Å; I237-F463 PolarHBondContact N-O 2.76Å; I237-F463 VanDerWaalsContact N-O 3.13Å; M459-F463 HydrophobicContact CG-CD2 3.73Å; M459-F463 WeakPolarHBondContact O-CD2 3.49Å; M459-F463 HydrophobicContact CG-CE2 3.67Å; M459-F463 HydrophobicContact SD-CE2 4.03Å; M459-F463 PolarHBondContact O-N 3.47Å; V460-F463 PolarHBondContact O-N 2.9Å; F463-R467 PolarHBondContact O-NH1 3.26Å
464	M	98.7	Very high	96.4	Very high	26 Å²	26	68.2 Å²	68.2	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-88.9	-6.1	-175.4	-62.2	-176.9	72.9	0	0	116	L198 I219 A222 I237 V460 K461 Q462 P466	L198-M464 HydrophobicContact CD1-CE 4.18Å; I219-M464 HydrophobicContact CD1-CE 3.78Å; I219-M464 HydrophobicContact CD1-SD 3.64Å; A222-M464 HydrophobicContact CB-SD 3.91Å; I237-M464 HydrophobicContact CB-CG 4.05Å; I237-M464 HydrophobicContact CG2-CG 4.28Å; I237-M464 WeakPolarHBondContact O-CA 3.47Å; V460-M464 PolarHBondContact O-N 3.43Å; V460-M464 WeakPolarHBondContact O-CG 3.44Å; V460-M464 WeakPolarHBondContact O-CB 3.39Å; V460-M464 HydrophobicContact CG1-SD 3.7Å; V460-M464 HydrophobicContact CG1-CG 4.37Å; K461-M464 CarbonylContact O-C 3.56Å; K461-M464 PolarHBondContact O-N 3.1Å; Q462-M464 PolarHBondContact O-N 3.3Å; M464-P466 WeakPolarHBondContact O-CD 3.47Å
465	T	98.4	Very high	96.3	Very high	59 Å²	59	65.4 Å²	65.4	36%	0.362	33%	0.332	S	S	.	.	S	Bend	trans	-81	124.6	177	-64.6	0	0	0	0	109.8	K461 Q462 R467	K461-T465 WeakPolarHBondContact O-CB 3.35Å; K461-T465 PolarHBondContact O-N 3.1Å; K461-T465 PolarHBondContact O-OG1 3.44Å; Q462-T465 PolarHBondContact O-N 3.3Å; T465-R467 PolarHBondContact O-N 3.11Å; T465-R467 VanDerWaalsContact O-N 3.09Å; T465-R467 PolarHBondContact O-NH1 3.2Å
466	P	97.5	Very high	96.1	Very high	56 Å²	56	68.2 Å²	68.2	36%	0.364	35%	0.346	S	S	.	.			trans	-55.6	114.3	170.2	-26.1	36.3	0	0	0	110.5	F236 Y243 Q298 M464	F236-P466 HydrophobicContact CE2-CB 4.37Å; F236-P466 HydrophobicContact CE2-CG 4.1Å; F236-P466 HydrophobicContact CZ-CB 4.36Å; F236-P466 HydrophobicContact CZ-CG 4.02Å; Y243-P466 HydrophobicContact CD2-CG 3.91Å; Y243-P466 HydrophobicContact CE2-CB 4.19Å; Y243-P466 HydrophobicContact CE2-CG 3.85Å; Q298-P466 HydrophobicContact CG-CB 3.84Å; M464-P466 WeakPolarHBondContact O-CD 3.47Å
467	R	96.4	Very high	96	Very high	46 Å²	46	68 Å²	68	17%	0.174	34%	0.341	C	S	.	.			trans	-150.6	166.5	-178.7	70.4	-169.7	179	-64.5	-2.1	111.1	I232 T235 Q462 F463 T465	I232-R467 PolarHBondContact O-NH2 2.98Å; T235-R467 PolarHBondContact O-NH2 2.87Å; Q462-R467 PolarHBondContact O-NH1 3.34Å; F463-R467 PolarHBondContact O-NH1 3.26Å; T465-R467 PolarHBondContact O-N 3.11Å; T465-R467 VanDerWaalsContact O-N 3.09Å; T465-R467 PolarHBondContact O-NH1 3.2Å
468	K	96.7	Very high	95.9	Very high	114 Å²	114	65.8 Å²	65.8	50%	0.496	33%	0.327	S	S	.	.			trans	-66.5	130.1	166	-168.9	-178.4	-177.4	-178.4	0	109.3	Q298 F471 E472	Q298-K468 WeakPolarHBondContact O-CA 3.21Å; Q298-K468 PolarHBondContact O-N 3.47Å; K468-F471 WeakPolarHBondContact CE-O 3.47Å; K468-E472 PolarHBondContact NZ-OE2 3.12Å; K468-E472 IonicContact NZ-OE2 3.77Å; K468-E472 PolarHBondContact NZ-OE1 2.97Å; K468-E472 IonicContact NZ-OE1 2.86Å
469	L	97.4	Very high	95.7	Very high	5 Å²	5	61 Å²	61	3%	0.026	31%	0.306	C	S	.	.			trans	-83.5	164.4	169.8	-60.7	-178.7	0	0	0	109.6	P193 N233 K234 I299 F471	P193-L469 HydrophobicContact CB-CD1 3.81Å; N233-L469 CarbonylContact O-C 3.52Å; N233-L469 WeakPolarHBondContact O-CA 3.41Å; N233-L469 WeakPolarHBondContact O-CB 3.24Å; K234-L469 WeakPolarHBondContact O-CD1 3.49Å; I299-L469 HydrophobicContact CD1-CD1 4.08Å; I299-L469 HydrophobicContact CD1-CG 4.39Å; I299-L469 HydrophobicContact CG1-CD1 4.41Å; I299-L469 HydrophobicContact CG1-CG 4.29Å; I299-L469 HydrophobicContact CG2-CB 4.43Å; I299-L469 HydrophobicContact CG2-CD1 3.75Å; I299-L469 HydrophobicContact CG2-CG 4.02Å; L469-F471 HydrophobicContact CB-CD2 4.02Å; L469-F471 PolarHBondContact O-N 3.15Å
470	A	96.3	Very high	95.5	Very high	70 Å²	70	61.7 Å²	61.7	58%	0.579	31%	0.31	S	S	*	.	S	Bend	trans	-72.8	55	-177.1	0	0	0	0	0	113.2	N233	N233-A470 HydrophobicContact CB-CB 3.89Å; N233-A470 PolarHBondContact O-N 3.36Å
471	F	93.7	Very high	95.2	Very high	33 Å²	33	66 Å²	66	15%	0.145	33%	0.331	C	S	.	.			trans	-139.7	145.5	178.4	-64.4	-79.1	0	0	0	110	D191 P193 K234 K468 L469 F473	D191-F471 VanDerWaalsContact O-CE1 3.3Å; D191-F471 WeakPolarHBondContact O-CE1 3.35Å; P193-F471 HydrophobicContact CB-CD2 3.85Å; P193-F471 HydrophobicContact CB-CE2 3.78Å; P193-F471 HydrophobicContact CG-CD2 4.3Å; P193-F471 HydrophobicContact CG-CE2 4.32Å; P193-F471 VanDerWaalsContact N-CE2 3.3Å; K234-F471 HydrophobicContact CB-CE2 3.74Å; K234-F471 HydrophobicContact CB-CZ 4.19Å; K234-F471 HydrophobicContact CD-CE2 4.12Å; K234-F471 HydrophobicContact CD-CZ 3.77Å; K234-F471 HydrophobicContact CG-CE2 3.56Å; K234-F471 HydrophobicContact CG-CZ 3.76Å; K468-F471 WeakPolarHBondContact CE-O 3.47Å; L469-F471 HydrophobicContact CB-CD2 4.02Å; L469-F471 PolarHBondContact O-N 3.15Å; F471-F473 HydrophobicContact CB-CD2 4.36Å; F471-F473 HydrophobicContact CB-CE1 4.37Å; F471-F473 HydrophobicContact CB-CE2 3.59Å; F471-F473 HydrophobicContact CB-CZ 3.55Å; F471-F473 HydrophobicContact CD2-CZ 4.47Å; F471-F473 HydrophobicContact CG-CZ 4.1Å
472	E	85.4	Confident	95	Very high	151 Å²	151	58.8 Å²	58.8	71%	0.706	30%	0.304	S	S	*	.			trans	-106.5	122	167.7	-61.8	-58.9	151.5	0	0	107.6	K468	K468-E472 PolarHBondContact NZ-OE2 3.12Å; K468-E472 IonicContact NZ-OE2 3.77Å; K468-E472 PolarHBondContact NZ-OE1 2.97Å; K468-E472 IonicContact NZ-OE1 2.86Å
473	F	82	Confident	94.7	Very high	52 Å²	52	55.9 Å²	55.9	23%	0.228	29%	0.293	C	S	.	.			trans	-94.8	0	-175.4	-72.8	-73.6	0	0	0	113.1	P193 I299 F300 K303 I306 F471	P193-F473 HydrophobicContact CB-CZ 4.31Å; P193-F473 HydrophobicContact CG-CE1 4.21Å; P193-F473 HydrophobicContact CG-CZ 3.73Å; I299-F473 HydrophobicContact CG2-CE2 4.29Å; I299-F473 VanDerWaalsContact O-CD2 3.23Å; I299-F473 WeakPolarHBondContact O-CD2 3.32Å; I299-F473 VanDerWaalsContact O-CE2 3.25Å; I299-F473 WeakPolarHBondContact O-CE2 3.41Å; F300-F473 HydrophobicContact CD1-CD1 4.06Å; F300-F473 HydrophobicContact CD1-CD2 4.02Å; F300-F473 AromaticContact CD1-CE1 3.8Å; F300-F473 HydrophobicContact CD1-CE1 3.8Å; F300-F473 AromaticContact CD1-CE2 3.75Å; F300-F473 HydrophobicContact CD1-CE2 3.75Å; F300-F473 HydrophobicContact CD1-CG 4.18Å; F300-F473 AromaticContact CD1-CZ 3.67Å; F300-F473 HydrophobicContact CD1-CZ 3.67Å; F300-F473 AromaticContact CE1-CE1 3.97Å; F300-F473 HydrophobicContact CE1-CE1 3.97Å; F300-F473 HydrophobicContact CE1-CE2 4.16Å; F300-F473 AromaticContact CE1-CZ 3.73Å; F300-F473 HydrophobicContact CE1-CZ 3.73Å; K303-F473 HydrophobicContact CD-CB 4.06Å; K303-F473 WeakPolarHBondContact CE-O 3.43Å; K303-F473 WeakPolarHBondContact CE-OXT 3.02Å; K303-F473 PolarHBondContact NZ-O 3.03Å; K303-F473 PolarHBondContact NZ-OXT 3.29Å; I306-F473 HydrophobicContact CD1-CD1 4.25Å; F471-F473 HydrophobicContact CB-CD2 4.36Å; F471-F473 HydrophobicContact CB-CE1 4.37Å; F471-F473 HydrophobicContact CB-CE2 3.59Å; F471-F473 HydrophobicContact CB-CZ 3.55Å; F471-F473 HydrophobicContact CD2-CZ 4.47Å; F471-F473 HydrophobicContact CG-CZ 4.1Å

Retrieved 473 of 473 residues in 343.6 ms (Link to these results)

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