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ATP-dependent 6-phosphofructokinase

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis.

AlphaFold DB , UniProt , Accession G4VKA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 793 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	Very low	32	Very low	241 Å²	241	177 Å²	177	100%	1.187	80%	0.804	S	S	*	*				0	89.5	0	-72.8	-178.8	-154.1	0	0	107.2	C3	M1-C3 PolarHBondContact O-N 3.43Å
2	E	27.1	Very low	34.3	Very low	193 Å²	193	172.9 Å²	172.9	90%	0.902	79%	0.787	S	S	*	*			trans	-64.8	105.2	173.7	-79.7	177.4	149.3	0	0	107.9	R4	E2-R4 VanDerWaalsContact C-N 3.29Å; E2-R4 PolarHBondContact O-N 3.35Å
3	C	26.9	Very low	37.1	Very low	121 Å²	121	165.1 Å²	165.1	82%	0.818	75%	0.747	S	S	*	*			trans	-62.4	97.9	168.4	-155.1	0	0	0	0	105.8	M1 R5	M1-C3 PolarHBondContact O-N 3.43Å; C3-R5 PolarHBondContact O-N 2.69Å
4	R	29.3	Very low	40.1	Very low	218 Å²	218	159.2 Å²	159.2	82%	0.823	72%	0.724	S	S	*	*			trans	-56.3	92	168.5	-77.9	-175.4	178.3	-179.3	0.1	106.6	E2 F6	E2-R4 VanDerWaalsContact C-N 3.29Å; E2-R4 PolarHBondContact O-N 3.35Å; R4-F6 VanDerWaalsContact C-N 3.33Å; R4-F6 PolarHBondContact O-N 3.35Å
5	R	28.1	Very low	42.8	Very low	233 Å²	233	153.6 Å²	153.6	88%	0.879	71%	0.709	S	S	*	*			trans	-57.6	103.2	168.7	-91.4	-179.6	170.1	175.5	-2.3	105.5	C3 E7	C3-R5 PolarHBondContact O-N 2.69Å; R5-E7 PolarHBondContact O-N 3.37Å; R5-E7 VanDerWaalsContact O-N 3.14Å
6	F	35.4	Very low	45.1	Very low	175 Å²	175	144.4 Å²	144.4	77%	0.768	67%	0.669	S	S	*	*			trans	-36.1	120.4	167.5	-101.3	-99.7	0	0	0	109.5	R4 R8	R4-F6 VanDerWaalsContact C-N 3.33Å; R4-F6 PolarHBondContact O-N 3.35Å; F6-R8 HydrophobicContact CB-CG 4.4Å; F6-R8 PolarHBondContact O-N 2.91Å
7	E	28.4	Very low	47.2	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	65%	0.646	S	S	*	*			trans	-63	80.9	161.2	-77.7	-174.3	152.1	0	0	108.3	R5 R9 A10	R5-E7 PolarHBondContact O-N 3.37Å; R5-E7 VanDerWaalsContact O-N 3.14Å; E7-R9 PolarHBondContact O-N 2.94Å; E7-A10 HydrophobicContact CB-CB 4.46Å
8	R	33.3	Very low	49	Very low	222 Å²	222	133.9 Å²	133.9	84%	0.838	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	4	167.8	-81.7	-173.3	176.1	-176.5	0	112.6	F6	F6-R8 HydrophobicContact CB-CG 4.4Å; F6-R8 PolarHBondContact O-N 2.91Å
9	R	30.7	Very low	50.3	Low	249 Å²	249	127.6 Å²	127.6	94%	0.94	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-1.4	-172.4	-77.1	-173.9	173.8	-178.5	-2.2	115.3	E7	E7-R9 PolarHBondContact O-N 2.94Å
10	A	34.8	Very low	51.7	Low	53 Å²	53	125.9 Å²	125.9	44%	0.438	59%	0.586	S	S	.	*	S	Bend	trans	-105.9	6	-169.7	0	0	0	0	0	116.3	E7	E7-A10 HydrophobicContact CB-CB 4.46Å
11	T	45.5	Very low	52.9	Low	81 Å²	81	126.9 Å²	126.9	50%	0.497	59%	0.586	S	S	.	*			trans	-117.9	95.7	179.6	25.4	0	0	0	0	110.2	W13	T11-W13 VanDerWaalsContact CB-NE1 3.32Å; T11-W13 HydrophobicContact CG2-CZ2 4.42Å; T11-W13 PolarHBondContact O-N 3.42Å
12	E	59.6	Low	55.2	Low	128 Å²	128	115.9 Å²	115.9	60%	0.598	53%	0.532	S	S	*	.			trans	-64.8	70.2	164.8	-68.7	163.5	138.8	0	0	108.9	L14 K366	E12-L14 PolarHBondContact O-N 2.96Å; E12-K366 IonicContact OE2-NZ 3.92Å; E12-K366 PolarHBondContact OE2-NZ 3.5Å; E12-K366 VanDerWaalsContact OE2-NZ 3.08Å
13	W	70.7	Confident	57.9	Low	71 Å²	71	108.1 Å²	108.1	27%	0.269	50%	0.501	S	S	.	.			trans	-88.5	107.1	171.4	-69.9	16.9	0	0	0	105	T11 D355 V360 V362	T11-W13 VanDerWaalsContact CB-NE1 3.32Å; T11-W13 HydrophobicContact CG2-CZ2 4.42Å; T11-W13 PolarHBondContact O-N 3.42Å; W13-D355 HydrophobicContact CE3-CB 3.9Å; W13-D355 HydrophobicContact CZ3-CB 3.58Å; W13-V360 HydrophobicContact CE3-CG2 4.1Å; W13-V362 HydrophobicContact CD2-CG2 4.13Å; W13-V362 HydrophobicContact CG-CG2 4.25Å
14	L	78.9	Confident	60.6	Low	83 Å²	83	108.8 Å²	108.8	44%	0.435	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.3	176.8	-64.7	169.8	0	0	0	107.3	E12 L347 R361	E12-L14 PolarHBondContact O-N 2.96Å; L14-L347 HydrophobicContact CD1-CD2 4.12Å; L14-R361 HydrophobicContact CB-CB 4.22Å; L14-R361 PolarHBondContact N-O 2.85Å; L14-R361 VanDerWaalsContact N-O 3.07Å; L14-R361 PolarHBondContact O-N 2.82Å
15	P	80.7	Confident	63.3	Low	75 Å²	75	99.7 Å²	99.7	49%	0.487	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	143	174.7	26.3	-32.7	0	0	0	109.4
16	G	78.4	Confident	66.1	Low	7 Å²	7	92.7 Å²	92.7	7%	0.072	44%	0.438	C	S	.	.			trans	-63.9	174.3	170.8	0	0	0	0	0	112.4	E18 E333 A359	G16-E18 VanDerWaalsContact C-N 3.34Å; G16-E333 WeakPolarHBondContact CA-OE1 3.43Å; G16-A359 WeakPolarHBondContact CA-O 3.32Å; G16-A359 PolarHBondContact N-O 2.93Å
17	M	81.7	Confident	68.7	Low	56 Å²	56	85.2 Å²	85.2	28%	0.276	41%	0.405	S	S	.	.			trans	-97.9	19.6	-179.8	-61.6	-68.6	-75	0	0	112.2	G19 K20 E333 L336 R361	M17-G19 PolarHBondContact O-N 3.02Å; M17-K20 HydrophobicContact CB-CD 4.29Å; M17-K20 HydrophobicContact CE-CB 4.33Å; M17-K20 HydrophobicContact CE-CD 3.4Å; M17-K20 WeakPolarHBondContact O-CB 3.43Å; M17-K20 PolarHBondContact O-N 3.32Å; M17-K20 HydrophobicContact SD-CD 3.48Å; M17-K20 WeakPolarHBondContact SD-CD 3.5Å; M17-K20 PolarHBondContact SD-NZ 3.43Å; M17-E333 VanDerWaalsContact N-CD 3.31Å; M17-E333 PolarHBondContact N-OE1 2.87Å; M17-E333 PolarHBondContact N-OE2 3.27Å; M17-L336 HydrophobicContact CB-CD1 3.77Å; M17-R361 VanDerWaalsContact CG-NH2 3.34Å
18	E	78.9	Confident	71.7	Confident	44 Å²	44	82.7 Å²	82.7	21%	0.206	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	135.1	176.5	-64.4	-173.3	143.4	0	0	111.4	G16 K20 R329 A359	G16-E18 VanDerWaalsContact C-N 3.34Å; E18-K20 PolarHBondContact O-N 2.84Å; E18-R329 VanDerWaalsContact CD-NH2 3.35Å; E18-R329 IonicContact OE1-CZ 2.7Å; E18-R329 IonicContact OE1-NE 3.93Å; E18-R329 PolarHBondContact OE1-NE 3.09Å; E18-R329 IonicContact OE1-NH2 3.01Å; E18-R329 PolarHBondContact OE1-NH2 3.2Å; E18-R329 VanDerWaalsContact OE1-NH2 3.12Å; E18-R329 IonicContact OE2-CZ 3.19Å; E18-R329 IonicContact OE2-NE 3.22Å; E18-R329 IonicContact OE2-NH2 2.82Å; E18-R329 PolarHBondContact OE2-NH2 3.42Å; E18-A359 VanDerWaalsContact CD-CB 3.46Å; E18-A359 HydrophobicContact CG-CB 4.09Å; E18-A359 WeakPolarHBondContact OE1-CB 3.38Å; E18-A359 PolarHBondContact OE2-N 3.48Å
19	G	74.3	Confident	74.2	Confident	13 Å²	13	74.7 Å²	74.7	13%	0.134	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	-11.6	-175.4	0	0	0	0	0	115.5	M17 S766	M17-G19 PolarHBondContact O-N 3.02Å; G19-S766 VanDerWaalsContact CA-O 3.24Å; G19-S766 WeakPolarHBondContact CA-O 3.46Å; G19-S766 PolarHBondContact N-O 2.94Å
20	K	79.1	Confident	77.1	Confident	93 Å²	93	65.6 Å²	65.6	40%	0.404	36%	0.356	S	S	.	.	S	Bend	trans	-80.3	150.3	179.1	-63.4	-179.5	-178	174.6	0	111.6	M17 E18 V22	M17-K20 HydrophobicContact CB-CD 4.29Å; M17-K20 HydrophobicContact CE-CB 4.33Å; M17-K20 HydrophobicContact CE-CD 3.4Å; M17-K20 WeakPolarHBondContact O-CB 3.43Å; M17-K20 PolarHBondContact O-N 3.32Å; M17-K20 HydrophobicContact SD-CD 3.48Å; M17-K20 WeakPolarHBondContact SD-CD 3.5Å; M17-K20 PolarHBondContact SD-NZ 3.43Å; E18-K20 PolarHBondContact O-N 2.84Å; K20-V22 PolarHBondContact O-N 3.43Å
21	Y	76.3	Confident	80	Confident	147 Å²	147	63.3 Å²	63.3	58%	0.576	34%	0.336	S	S	*	.			trans	-64.8	131.2	176.3	-179.6	-103.8	0	0	0	111	A23 L780	Y21-A23 HydrophobicContact CE1-CB 3.78Å; Y21-L780 HydrophobicContact CD2-CB 4.5Å; Y21-L780 HydrophobicContact CD2-CD1 3.82Å; Y21-L780 HydrophobicContact CE2-CB 4.32Å; Y21-L780 HydrophobicContact CE2-CD1 3.65Å
22	V	81.4	Confident	82.5	Confident	10 Å²	10	59.5 Å²	59.5	6%	0.061	31%	0.313	C	S	.	.			trans	-119.3	114	173.8	-178.1	0	0	0	0	107.7	K20 M54 Y57 L336 I773 L780	K20-V22 PolarHBondContact O-N 3.43Å; V22-M54 HydrophobicContact CG1-SD 4.39Å; V22-Y57 HydrophobicContact CB-CE1 4.38Å; V22-Y57 HydrophobicContact CG1-CD1 4.37Å; V22-Y57 HydrophobicContact CG1-CE1 4.14Å; V22-Y57 WeakPolarHBondContact O-CE1 3.03Å; V22-Y57 PolarHBondContact O-OH 3.47Å; V22-L336 HydrophobicContact CG1-CD2 3.94Å; V22-L336 HydrophobicContact CG2-CD1 3.98Å; V22-L336 HydrophobicContact CG2-CD2 3.98Å; V22-I773 HydrophobicContact CB-CD1 4.24Å; V22-L780 WeakPolarHBondContact O-CD1 3.33Å
23	A	82.6	Confident	84.4	Confident	31 Å²	31	53.4 Å²	53.4	26%	0.256	28%	0.284	S	S	.	.			trans	-72.3	131.1	180	0	0	0	0	0	110.6	Y21 G25 Q26	Y21-A23 HydrophobicContact CE1-CB 3.78Å; A23-G25 PolarHBondContact O-N 2.93Å; A23-Q26 HydrophobicContact CB-CB 4.14Å; A23-Q26 WeakPolarHBondContact O-CB 3.29Å; A23-Q26 PolarHBondContact O-N 3.33Å
24	R	84.8	Confident	85.7	Confident	134 Å²	134	50 Å²	50	51%	0.506	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	135.7	175.9	-171.1	-178.5	177.2	-176	7.5	110.6	Q26 Y57 D778	R24-Q26 PolarHBondContact O-N 3Å; R24-Y57 WeakPolarHBondContact CA-O 3.36Å; R24-Y57 HydrophobicContact CB-CE1 4.29Å; R24-Y57 HydrophobicContact CB-CE2 4.06Å; R24-Y57 HydrophobicContact CG-CD2 4.23Å; R24-Y57 HydrophobicContact CG-CE2 4.04Å; R24-Y57 WeakPolarHBondContact CG-O 3.38Å; R24-D778 IonicContact CZ-OD1 3.8Å; R24-D778 IonicContact NH1-OD1 2.7Å; R24-D778 PolarHBondContact NH1-OD1 3.18Å; R24-D778 IonicContact NH1-OD2 3.68Å; R24-D778 PolarHBondContact NH1-OD2 3.08Å; R24-D778 IonicContact NH2-OD1 3Å
25	G	86.5	Confident	86.6	Confident	27 Å²	27	46 Å²	46	28%	0.278	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	9	176.6	0	0	0	0	0	115.4	A23 F27 T28 Y57 C58	A23-G25 PolarHBondContact O-N 2.93Å; G25-F27 PolarHBondContact O-N 3.34Å; G25-T28 PolarHBondContact O-N 2.74Å; G25-T28 PolarHBondContact O-OG1 3.28Å; G25-Y57 PolarHBondContact N-O 3Å; G25-C58 CarbonylContact C-O 3.47Å; G25-C58 VanDerWaalsContact CA-O 3.26Å; G25-C58 WeakPolarHBondContact CA-O 3.41Å
26	Q	86.8	Confident	87.4	Confident	87 Å²	87	42.5 Å²	42.5	41%	0.407	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.9	-176.5	-177	178.4	11.6	0	0	114.3	A23 R24 C58 R343	A23-Q26 HydrophobicContact CB-CB 4.14Å; A23-Q26 WeakPolarHBondContact O-CB 3.29Å; A23-Q26 PolarHBondContact O-N 3.33Å; R24-Q26 PolarHBondContact O-N 3Å; Q26-C58 PolarHBondContact N-O 3.45Å; Q26-C58 VanDerWaalsContact N-O 3.15Å; Q26-R343 VanDerWaalsContact NE2-NH2 3.19Å
27	F	89.4	Confident	88.2	Confident	17 Å²	17	42.6 Å²	42.6	8%	0.075	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	37.7	-173.5	-55.8	-80.1	0	0	0	111.3	G25 G29 E30 C58 M339	G25-F27 PolarHBondContact O-N 3.34Å; F27-G29 PolarHBondContact O-N 3.45Å; F27-E30 HydrophobicContact CB-CG 4.36Å; F27-E30 PolarHBondContact O-N 2.95Å; F27-C58 CarbonylContact C-O 3.55Å; F27-C58 WeakPolarHBondContact CA-O 3.28Å; F27-C58 HydrophobicContact CB-CB 4.45Å; F27-C58 HydrophobicContact CD2-CB 3.85Å; F27-C58 PolarHBondContact N-O 2.85Å; F27-M339 HydrophobicContact CB-CG 4.31Å; F27-M339 HydrophobicContact CB-SD 3.59Å; F27-M339 VanDerWaalsContact CB-SD 3.59Å; F27-M339 HydrophobicContact CD1-CB 3.79Å; F27-M339 HydrophobicContact CD1-CG 3.84Å; F27-M339 HydrophobicContact CD1-SD 3.69Å; F27-M339 HydrophobicContact CD2-CB 4.26Å; F27-M339 HydrophobicContact CD2-CG 3.85Å; F27-M339 HydrophobicContact CD2-SD 4.27Å; F27-M339 HydrophobicContact CE1-CB 3.47Å; F27-M339 VanDerWaalsContact CE1-CB 3.47Å; F27-M339 HydrophobicContact CE1-CG 4.01Å; F27-M339 HydrophobicContact CE1-SD 4.39Å; F27-M339 HydrophobicContact CE2-CB 3.99Å; F27-M339 HydrophobicContact CE2-CG 4.03Å; F27-M339 HydrophobicContact CG-CB 4.16Å; F27-M339 HydrophobicContact CG-CG 3.74Å; F27-M339 HydrophobicContact CG-SD 3.6Å; F27-M339 VanDerWaalsContact CG-SD 3.6Å; F27-M339 HydrophobicContact CZ-CB 3.58Å; F27-M339 HydrophobicContact CZ-CG 4.11Å
28	T	90.5	Very high	88.7	Confident	109 Å²	109	41.5 Å²	41.5	67%	0.669	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	127.1	178.4	-60.9	0	0	0	0	110.9	G25 G59	G25-T28 PolarHBondContact O-N 2.74Å; G25-T28 PolarHBondContact O-OG1 3.28Å; T28-G59 WeakPolarHBondContact CA-O 3.37Å
29	G	85.9	Confident	89.2	Confident	54 Å²	54	41.3 Å²	41.3	56%	0.557	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	103.1	-21.7	179.7	0	0	0	0	0	114.2	F27	F27-G29 PolarHBondContact O-N 3.45Å
30	E	92.6	Very high	90.2	Very high	58 Å²	58	43.4 Å²	43.4	27%	0.271	25%	0.249	S	C	.	.			trans	-69.1	144.7	176.8	-67.1	-52.7	132.1	0	0	111.9	F27 C60 R61 M339	F27-E30 HydrophobicContact CB-CG 4.36Å; F27-E30 PolarHBondContact O-N 2.95Å; E30-C60 HydrophobicContact CB-CB 4.49Å; E30-C60 CarbonylContact O-C 3.48Å; E30-C60 WeakPolarHBondContact O-CA 3.31Å; E30-C60 WeakPolarHBondContact O-CB 3.42Å; E30-R61 PolarHBondContact O-N 3.3Å; E30-M339 HydrophobicContact CB-CE 4.3Å; E30-M339 HydrophobicContact CB-SD 4.11Å; E30-M339 HydrophobicContact CG-SD 4.15Å
31	C	96.2	Very high	91	Very high	5 Å²	5	39 Å²	39	3%	0.034	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.2	179.7	-68.3	0	0	0	0	110.9	R61 F63 Q123 I124 N126	C31-R61 CarbonylContact C-O 3.56Å; C31-R61 WeakPolarHBondContact CA-O 3.48Å; C31-F63 HydrophobicContact CB-CE2 4.34Å; C31-Q123 VanDerWaalsContact CB-O 3.25Å; C31-Q123 WeakPolarHBondContact CB-O 3.44Å; C31-I124 HydrophobicContact CB-CG1 4.43Å; C31-N126 WeakPolarHBondContact O-CB 3.35Å; C31-N126 PolarHBondContact O-N 3.39Å; C31-N126 PolarHBondContact O-ND2 2.89Å
32	I	97.7	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.8	177.9	-58.1	174.4	0	0	0	108.6	V51 C60 R61 V62 F63 N126 V128 V335 L338 M339	I32-V51 HydrophobicContact CG2-CG1 4.19Å; I32-C60 HydrophobicContact CD1-CB 3.89Å; I32-C60 HydrophobicContact CG1-CB 4.17Å; I32-R61 PolarHBondContact N-O 3.49Å; I32-V62 CarbonylContact O-C 3.57Å; I32-V62 VanDerWaalsContact O-CA 3.23Å; I32-V62 WeakPolarHBondContact O-CA 3.5Å; I32-F63 PolarHBondContact O-N 2.92Å; I32-N126 CarbonylContact C-O 3.56Å; I32-N126 WeakPolarHBondContact CA-O 3.48Å; I32-N126 HydrophobicContact CB-CB 4.48Å; I32-N126 HydrophobicContact CG1-CB 4Å; I32-V128 HydrophobicContact CG2-CG2 4.21Å; I32-V335 HydrophobicContact CD1-CB 4.47Å; I32-V335 HydrophobicContact CD1-CG1 3.79Å; I32-V335 HydrophobicContact CD1-CG2 4.24Å; I32-L338 HydrophobicContact CG2-CD1 3.98Å; I32-M339 HydrophobicContact CD1-CE 3.9Å; I32-M339 HydrophobicContact CG1-CE 3.99Å
33	A	98.4	Very high	92.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.9	166.1	0	0	0	0	0	111.6	F63 I65 I124 N126 L127 V128	A33-F63 CarbonylContact C-O 3.55Å; A33-F63 VanDerWaalsContact CA-O 3.28Å; A33-F63 WeakPolarHBondContact CA-O 3.47Å; A33-F63 HydrophobicContact CB-CB 4.11Å; A33-I65 HydrophobicContact CB-CD1 3.58Å; A33-I65 HydrophobicContact CB-CG1 4.07Å; A33-I124 HydrophobicContact CB-CD1 4.04Å; A33-I124 HydrophobicContact CB-CG2 3.63Å; A33-N126 PolarHBondContact N-O 3.29Å; A33-L127 HydrophobicContact CB-CD1 3.94Å; A33-V128 PolarHBondContact O-N 3.28Å
34	V	98.6	Very high	93.5	Very high	0 Å²	0	30 Å²	30	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.9	174.7	62.8	0	0	0	0	110.4	V48 V51 F63 F64 I65 V128 I130	V34-V48 HydrophobicContact CG1-CG1 4.27Å; V34-V48 HydrophobicContact CG2-CG2 4.19Å; V34-V51 HydrophobicContact CB-CG1 3.97Å; V34-V51 HydrophobicContact CG1-CG1 4.45Å; V34-V51 HydrophobicContact CG2-CB 4.43Å; V34-V51 HydrophobicContact CG2-CG1 4.34Å; V34-V51 HydrophobicContact CG2-CG2 4.42Å; V34-F63 PolarHBondContact N-O 3.46Å; V34-F64 HydrophobicContact CG1-CD1 3.93Å; V34-F64 HydrophobicContact CG1-CE1 4.41Å; V34-I65 PolarHBondContact O-N 2.81Å; V34-V128 WeakPolarHBondContact CA-O 3.43Å; V34-V128 HydrophobicContact CB-CB 4.36Å; V34-V128 HydrophobicContact CG2-CB 4.18Å; V34-V128 HydrophobicContact CG2-CG1 4.33Å; V34-I130 HydrophobicContact CG2-CD1 3.66Å; V34-I130 HydrophobicContact CG2-CG1 4.24Å
35	L	98.1	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.4	174.2	77.6	80.3	0	0	0	110.6	I65 Y69 L72 L127 V128 V129 I130	L35-I65 HydrophobicContact CB-CB 3.73Å; L35-I65 HydrophobicContact CB-CD1 4.13Å; L35-I65 HydrophobicContact CB-CG2 3.98Å; L35-I65 HydrophobicContact CD2-CD1 4.08Å; L35-I65 HydrophobicContact CD2-CG2 4.41Å; L35-Y69 HydrophobicContact CD2-CD1 4.21Å; L35-Y69 HydrophobicContact CD2-CE1 4.11Å; L35-L72 HydrophobicContact CD2-CD2 4.27Å; L35-L127 HydrophobicContact CD2-CD1 4.17Å; L35-L127 HydrophobicContact CD2-CD2 4.45Å; L35-V128 PolarHBondContact N-O 2.91Å; L35-V129 HydrophobicContact CD1-CG1 3.93Å; L35-V129 HydrophobicContact CD1-CG2 4.48Å; L35-V129 HydrophobicContact CD2-CG2 4.35Å; L35-V129 HydrophobicContact CG-CG2 4.24Å; L35-I130 PolarHBondContact O-N 2.81Å
36	T	97.9	Very high	94.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.2	166.7	46.9	0	0	0	0	109.2	M44 V48 G68 T96 I98 G99 I130	T36-M44 HydrophobicContact CG2-CB 4.19Å; T36-M44 HydrophobicContact CG2-CG 4.48Å; T36-M44 HydrophobicContact CG2-SD 4.1Å; T36-V48 HydrophobicContact CG2-CG2 3.88Å; T36-G68 WeakPolarHBondContact O-CA 3.41Å; T36-G68 PolarHBondContact O-N 2.9Å; T36-T96 WeakPolarHBondContact CG2-OG1 3.4Å; T36-T96 WeakPolarHBondContact OG1-CB 3.21Å; T36-T96 WeakPolarHBondContact OG1-CG2 3.28Å; T36-T96 PolarHBondContact OG1-OG1 2.81Å; T36-I98 HydrophobicContact CG2-CD1 4.19Å; T36-I98 HydrophobicContact CG2-CG1 4.28Å; T36-I98 VanDerWaalsContact OG1-CG1 3.27Å; T36-I98 WeakPolarHBondContact OG1-CG1 3.29Å; T36-G99 PolarHBondContact OG1-O 3.13Å; T36-I130 CarbonylContact C-O 3.09Å; T36-I130 VanDerWaalsContact CA-O 3.27Å; T36-I130 WeakPolarHBondContact CA-O 3.33Å; T36-I130 HydrophobicContact CG2-CB 3.87Å; T36-I130 HydrophobicContact CG2-CD1 4.18Å; T36-I130 HydrophobicContact CG2-CG2 4.17Å
37	S	95	Very high	95.2	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.063	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143	-176.3	170	0	0	0	0	111.7	Y69 S100 I130 G131 S135	S37-Y69 VanDerWaalsContact OG-CD2 3.25Å; S37-Y69 WeakPolarHBondContact OG-CD2 3.34Å; S37-Y69 WeakPolarHBondContact OG-CE2 3.39Å; S37-S100 WeakPolarHBondContact CA-OG 3.16Å; S37-I130 PolarHBondContact N-O 3.41Å; S37-G131 WeakPolarHBondContact O-CA 3.35Å; S37-S135 VanDerWaalsContact CB-OG 3.27Å; S37-S135 WeakPolarHBondContact CB-OG 3.29Å; S37-S135 PolarHBondContact O-OG 3.5Å; S37-S135 PolarHBondContact OG-OG 3.22Å
38	G	91	Very high	95.6	Very high	34 Å²	34	17.6 Å²	17.6	35%	0.351	13%	0.127	S	C	.	.	S	Bend	trans	98.5	-157.2	-179.2	0	0	0	0	0	112.5	S100	G38-S100 PolarHBondContact N-OG 2.65Å; G38-S100 PolarHBondContact O-OG 3.33Å
39	G	91.3	Very high	96	Very high	39 Å²	39	12.7 Å²	12.7	40%	0.402	10%	0.097	S	C	.	.	S	Bend	trans	-67.4	137.2	172.3	0	0	0	0	0	110	M44	G39-M44 WeakPolarHBondContact O-CE 3.37Å
40	D	94.2	Very high	96.5	Very high	58 Å²	58	10.1 Å²	10.1	31%	0.31	7%	0.07	S	C	.	.			trans	-69.4	156	175.6	67.8	-48.2	0	0	0	111.3	M44 G95	D40-M44 HydrophobicContact CB-SD 4.49Å; D40-G95 WeakPolarHBondContact OD2-CA 3.28Å
41	A	95.9	Very high	96.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	6%	0.057	C	C	.	.			trans	-145.2	142.4	177.5	0	0	0	0	0	109.2	G43 M44 I179 I190	A41-G43 PolarHBondContact O-N 3.08Å; A41-M44 HydrophobicContact CB-CE 4.05Å; A41-M44 HydrophobicContact CB-CG 4.46Å; A41-M44 WeakPolarHBondContact O-CG 3.34Å; A41-M44 PolarHBondContact O-N 3.12Å; A41-I179 HydrophobicContact CB-CG2 4.04Å; A41-I190 WeakPolarHBondContact CB-O 3.38Å
42	Q	97.3	Very high	96.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	131.4	178.8	-50.3	89.4	-36.4	0	0	109.2	G191 Q314 R315 G316 P319	Q42-G191 WeakPolarHBondContact O-CA 3.38Å; Q42-G191 PolarHBondContact O-N 3.32Å; Q42-Q314 PolarHBondContact NE2-O 3.22Å; Q42-R315 VanDerWaalsContact CD-C 3.5Å; Q42-R315 WeakPolarHBondContact CG-O 3.35Å; Q42-R315 PolarHBondContact NE2-O 3.34Å; Q42-R315 PolarHBondContact OE1-O 2.77Å; Q42-G316 PolarHBondContact NE2-O 2.67Å; Q42-P319 HydrophobicContact CB-CB 3.88Å
43	G	97	Very high	96.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.5	-12.1	-177	0	0	0	0	0	114.2	A41 N45 A46 A47 I190	A41-G43 PolarHBondContact O-N 3.08Å; G43-N45 PolarHBondContact O-N 3.08Å; G43-A46 WeakPolarHBondContact O-CA 3.34Å; G43-A46 VanDerWaalsContact O-CB 3.24Å; G43-A46 WeakPolarHBondContact O-CB 3.22Å; G43-A46 PolarHBondContact O-N 3.14Å; G43-A47 PolarHBondContact O-N 3.23Å; G43-I190 VanDerWaalsContact C-CG2 3.43Å
44	M	98	Very high	96.6	Very high	0 Å²	0	8 Å²	8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-55.4	-39.3	171	-75.2	-175.4	173.5	0	0	112.1	T36 G39 D40 A41 A46 A47 V48 I130 G177	T36-M44 HydrophobicContact CG2-CB 4.19Å; T36-M44 HydrophobicContact CG2-CG 4.48Å; T36-M44 HydrophobicContact CG2-SD 4.1Å; G39-M44 WeakPolarHBondContact O-CE 3.37Å; D40-M44 HydrophobicContact CB-SD 4.49Å; A41-M44 HydrophobicContact CB-CE 4.05Å; A41-M44 HydrophobicContact CB-CG 4.46Å; A41-M44 WeakPolarHBondContact O-CG 3.34Å; A41-M44 PolarHBondContact O-N 3.12Å; M44-A46 VanDerWaalsContact C-N 3.27Å; M44-A46 PolarHBondContact O-N 3.35Å; M44-A47 PolarHBondContact O-N 2.71Å; M44-V48 WeakPolarHBondContact O-CG2 3.3Å; M44-V48 PolarHBondContact O-N 3.23Å; M44-I130 HydrophobicContact CG-CG2 3.97Å; M44-G177 VanDerWaalsContact CE-O 3.24Å; M44-G177 WeakPolarHBondContact CE-O 3.41Å
45	N	98.2	Very high	96.5	Very high	2 Å²	2	8 Å²	8	1%	0.011	6%	0.059	C	C	.	.	H	α-helix	trans	-61.3	-32.5	173.9	-72.9	-41.8	0	0	0	113.7	G43 R49 I90 L93 G94 G95 T96 K97	G43-N45 PolarHBondContact O-N 3.08Å; N45-R49 WeakPolarHBondContact O-CB 3.38Å; N45-R49 PolarHBondContact O-N 2.95Å; N45-I90 HydrophobicContact CB-CB 4.34Å; N45-I90 HydrophobicContact CB-CD1 4.23Å; N45-I90 HydrophobicContact CB-CG1 4.26Å; N45-I90 VanDerWaalsContact CB-O 3.22Å; N45-I90 WeakPolarHBondContact CB-O 3.5Å; N45-L93 PolarHBondContact ND2-O 3.38Å; N45-G94 PolarHBondContact ND2-O 3.34Å; N45-G94 VanDerWaalsContact ND2-O 3.09Å; N45-G95 PolarHBondContact ND2-O 3.37Å; N45-G95 VanDerWaalsContact ND2-O 3.17Å; N45-T96 WeakPolarHBondContact OD1-CA 3.37Å; N45-K97 WeakPolarHBondContact OD1-CB 3.46Å; N45-K97 PolarHBondContact OD1-N 2.76Å
46	A	98	Very high	96.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-67.3	-43	175.8	0	0	0	0	0	110.9	G43 M44 R49 A50 L91 R324	G43-A46 WeakPolarHBondContact O-CA 3.34Å; G43-A46 VanDerWaalsContact O-CB 3.24Å; G43-A46 WeakPolarHBondContact O-CB 3.22Å; G43-A46 PolarHBondContact O-N 3.14Å; M44-A46 VanDerWaalsContact C-N 3.27Å; M44-A46 PolarHBondContact O-N 3.35Å; A46-R49 PolarHBondContact O-N 3.34Å; A46-A50 WeakPolarHBondContact O-CB 3.3Å; A46-A50 PolarHBondContact O-N 3.21Å; A46-L91 HydrophobicContact CB-CD1 3.47Å; A46-L91 VanDerWaalsContact CB-CD1 3.47Å; A46-R324 WeakPolarHBondContact CB-O 3.4Å
47	A	98.2	Very high	96.1	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-48.9	174.4	0	0	0	0	0	112.5	G43 M44 R49 A50 V51 I130 L175 I190 G327	G43-A47 PolarHBondContact O-N 3.23Å; M44-A47 PolarHBondContact O-N 2.71Å; A47-R49 VanDerWaalsContact C-N 3.29Å; A47-R49 PolarHBondContact O-N 3.22Å; A47-A50 PolarHBondContact O-N 2.87Å; A47-A50 VanDerWaalsContact O-N 3.14Å; A47-V51 WeakPolarHBondContact O-CG2 3.1Å; A47-V51 PolarHBondContact O-N 3.09Å; A47-I130 HydrophobicContact CB-CD1 3.77Å; A47-L175 HydrophobicContact CB-CD1 3.98Å; A47-I190 HydrophobicContact CB-CD1 4.07Å; A47-G327 VanDerWaalsContact CA-O 3.22Å; A47-G327 WeakPolarHBondContact CA-O 3.34Å
48	V	98.5	Very high	96	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-56.1	-45.2	174.6	172.2	0	0	0	0	110.9	V34 T36 M44 A50 V51 V52 F64 I98 I130	V34-V48 HydrophobicContact CG1-CG1 4.27Å; V34-V48 HydrophobicContact CG2-CG2 4.19Å; T36-V48 HydrophobicContact CG2-CG2 3.88Å; M44-V48 WeakPolarHBondContact O-CG2 3.3Å; M44-V48 PolarHBondContact O-N 3.23Å; V48-A50 VanDerWaalsContact C-N 3.35Å; V48-A50 PolarHBondContact O-N 2.81Å; V48-V51 PolarHBondContact O-N 3.09Å; V48-V52 WeakPolarHBondContact O-CG2 3.32Å; V48-V52 PolarHBondContact O-N 2.88Å; V48-V52 VanDerWaalsContact O-N 3.09Å; V48-F64 HydrophobicContact CG1-CD1 4.21Å; V48-F64 HydrophobicContact CG1-CE1 3.66Å; V48-I98 HydrophobicContact CG2-CD1 4.02Å; V48-I98 HydrophobicContact CG2-CG1 4.46Å; V48-I130 HydrophobicContact CG2-CD1 3.63Å
49	R	97.9	Very high	96	Very high	7 Å²	7	10 Å²	10	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-58.5	-46	176.9	174.3	177.8	171.9	-83.1	2.2	111.9	N45 A46 A47 V52 R53 V87 I90 M774	N45-R49 WeakPolarHBondContact O-CB 3.38Å; N45-R49 PolarHBondContact O-N 2.95Å; A46-R49 PolarHBondContact O-N 3.34Å; A47-R49 VanDerWaalsContact C-N 3.29Å; A47-R49 PolarHBondContact O-N 3.22Å; R49-V52 PolarHBondContact O-N 3.4Å; R49-R53 HydrophobicContact CG-CG 4.44Å; R49-R53 WeakPolarHBondContact O-CB 3.31Å; R49-R53 WeakPolarHBondContact O-CG 3.39Å; R49-R53 PolarHBondContact O-N 2.92Å; R49-V87 HydrophobicContact CB-CB 4Å; R49-V87 HydrophobicContact CB-CG2 4.44Å; R49-V87 WeakPolarHBondContact CD-O 3.44Å; R49-V87 HydrophobicContact CG-CB 3.96Å; R49-V87 HydrophobicContact CG-CG2 3.97Å; R49-I90 HydrophobicContact CB-CD1 4.11Å; R49-I90 HydrophobicContact CB-CG1 4.17Å; R49-M774 PolarHBondContact NH2-O 3.23Å
50	A	97.6	Very high	96.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.3	-38.8	-177.9	0	0	0	0	0	112.6	A46 A47 V48 V52 R53 M54 S328 M774	A46-A50 WeakPolarHBondContact O-CB 3.3Å; A46-A50 PolarHBondContact O-N 3.21Å; A47-A50 PolarHBondContact O-N 2.87Å; A47-A50 VanDerWaalsContact O-N 3.14Å; V48-A50 VanDerWaalsContact C-N 3.35Å; V48-A50 PolarHBondContact O-N 2.81Å; A50-V52 PolarHBondContact O-N 3.21Å; A50-R53 PolarHBondContact O-N 3.47Å; A50-M54 WeakPolarHBondContact O-CB 3.19Å; A50-M54 PolarHBondContact O-N 2.91Å; A50-S328 WeakPolarHBondContact CB-O 3.4Å; A50-M774 HydrophobicContact CB-SD 3.99Å
51	V	98.1	Very high	96.4	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.4	-47.7	174.1	174.3	0	0	0	0	110.8	I32 V34 A47 V48 G55 V62 V128 G331 V335	I32-V51 HydrophobicContact CG2-CG1 4.19Å; V34-V51 HydrophobicContact CB-CG1 3.97Å; V34-V51 HydrophobicContact CG1-CG1 4.45Å; V34-V51 HydrophobicContact CG2-CB 4.43Å; V34-V51 HydrophobicContact CG2-CG1 4.34Å; V34-V51 HydrophobicContact CG2-CG2 4.42Å; A47-V51 WeakPolarHBondContact O-CG2 3.1Å; A47-V51 PolarHBondContact O-N 3.09Å; V48-V51 PolarHBondContact O-N 3.09Å; V51-G55 PolarHBondContact O-N 2.88Å; V51-V62 HydrophobicContact CG1-CG1 4.47Å; V51-V128 HydrophobicContact CG1-CB 4.37Å; V51-V128 HydrophobicContact CG1-CG2 3.89Å; V51-V128 HydrophobicContact CG2-CB 4.37Å; V51-V128 HydrophobicContact CG2-CG1 3.96Å; V51-V128 HydrophobicContact CG2-CG2 4.18Å; V51-G331 WeakPolarHBondContact CG2-O 3.31Å; V51-V335 HydrophobicContact CB-CG2 4.32Å; V51-V335 HydrophobicContact CG1-CG2 3.96Å; V51-V335 WeakPolarHBondContact O-CG2 3.48Å
52	V	97.5	Very high	96.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.4	-49.1	178.5	173.4	0	0	0	0	111.6	V48 R49 A50 I56 V62 F64 A82 V87	V48-V52 WeakPolarHBondContact O-CG2 3.32Å; V48-V52 PolarHBondContact O-N 2.88Å; V48-V52 VanDerWaalsContact O-N 3.09Å; R49-V52 PolarHBondContact O-N 3.4Å; A50-V52 PolarHBondContact O-N 3.21Å; V52-I56 HydrophobicContact CG1-CD1 3.68Å; V52-I56 HydrophobicContact CG1-CG1 4.48Å; V52-I56 WeakPolarHBondContact O-CB 3.29Å; V52-I56 VanDerWaalsContact O-CG1 3.26Å; V52-I56 WeakPolarHBondContact O-CG1 3.43Å; V52-I56 PolarHBondContact O-N 3.19Å; V52-V62 HydrophobicContact CB-CG1 4.43Å; V52-V62 HydrophobicContact CG2-CG1 3.88Å; V52-F64 HydrophobicContact CG2-CD1 4.36Å; V52-F64 HydrophobicContact CG2-CE1 3.51Å; V52-F64 HydrophobicContact CG2-CZ 3.95Å; V52-A82 HydrophobicContact CG1-CB 3.99Å; V52-A82 HydrophobicContact CG2-CB 3.98Å; V52-V87 HydrophobicContact CB-CG1 3.76Å; V52-V87 HydrophobicContact CB-CG2 4.07Å; V52-V87 HydrophobicContact CG1-CG1 3.94Å; V52-V87 HydrophobicContact CG1-CG2 3.88Å; V52-V87 HydrophobicContact CG2-CG1 3.75Å
53	R	95.6	Very high	96.5	Very high	14 Å²	14	10.6 Å²	10.6	5%	0.053	5%	0.052	C	C	.	.	H	α-helix	trans	-67.6	-43.4	-176.7	-72.6	-170.1	174	-155.4	-5.7	112.3	R49 A50 Y57 W84 V87 S88 M774	R49-R53 HydrophobicContact CG-CG 4.44Å; R49-R53 WeakPolarHBondContact O-CB 3.31Å; R49-R53 WeakPolarHBondContact O-CG 3.39Å; R49-R53 PolarHBondContact O-N 2.92Å; A50-R53 PolarHBondContact O-N 3.47Å; R53-Y57 VanDerWaalsContact O-CB 3.23Å; R53-Y57 WeakPolarHBondContact O-CB 3.32Å; R53-Y57 PolarHBondContact O-N 3.43Å; R53-W84 HydrophobicContact CB-CE3 4.2Å; R53-W84 HydrophobicContact CB-CH2 3.62Å; R53-W84 HydrophobicContact CB-CZ2 4.35Å; R53-W84 HydrophobicContact CB-CZ3 3.55Å; R53-W84 VanDerWaalsContact CD-CZ2 3.43Å; R53-W84 HydrophobicContact CG-CD2 4.11Å; R53-W84 HydrophobicContact CG-CE3 3.87Å; R53-W84 HydrophobicContact CG-CH2 3.59Å; R53-W84 HydrophobicContact CG-CZ2 3.83Å; R53-W84 HydrophobicContact CG-CZ3 3.63Å; R53-W84 WeakPolarHBondContact O-CZ3 3.49Å; R53-V87 HydrophobicContact CG-CG2 3.79Å; R53-S88 PolarHBondContact NH2-OG 3.19Å; R53-M774 HydrophobicContact CB-CE 3.72Å; R53-M774 HydrophobicContact CB-SD 3.81Å; R53-M774 VanDerWaalsContact CD-O 3.3Å; R53-M774 WeakPolarHBondContact CD-O 3.44Å; R53-M774 PolarHBondContact NH1-O 3.38Å
54	M	95.5	Very high	96.6	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.02	5%	0.054	C	C	.	.	H	α-helix	trans	-67	-43.4	177.5	-174.4	60.2	83.8	0	0	110.9	V22 A50 I56 Y57 C58 A332 V335 L770 I773 M774	V22-M54 HydrophobicContact CG1-SD 4.39Å; A50-M54 WeakPolarHBondContact O-CB 3.19Å; A50-M54 PolarHBondContact O-N 2.91Å; M54-I56 PolarHBondContact O-N 2.83Å; M54-Y57 PolarHBondContact O-N 3.41Å; M54-Y57 HydrophobicContact SD-CD1 4.38Å; M54-C58 WeakPolarHBondContact O-CB 3.36Å; M54-C58 PolarHBondContact O-N 3.46Å; M54-C58 PolarHBondContact O-SG 3.46Å; M54-C58 VanDerWaalsContact O-SG 3.35Å; M54-A332 HydrophobicContact CB-CB 4.34Å; M54-A332 HydrophobicContact CE-CB 3.6Å; M54-A332 HydrophobicContact CG-CB 4.37Å; M54-V335 HydrophobicContact CB-CB 4.13Å; M54-V335 HydrophobicContact CB-CG1 4.35Å; M54-V335 HydrophobicContact CB-CG2 4.06Å; M54-V335 HydrophobicContact CG-CB 3.76Å; M54-V335 HydrophobicContact CG-CG1 3.81Å; M54-V335 HydrophobicContact CG-CG2 4.26Å; M54-L770 HydrophobicContact CE-CD1 3.97Å; M54-I773 HydrophobicContact CE-CD1 3.9Å; M54-I773 HydrophobicContact CE-CG2 4Å; M54-I773 HydrophobicContact SD-CD1 4.33Å; M54-I773 HydrophobicContact SD-CG2 3.91Å; M54-M774 HydrophobicContact CB-CE 4.05Å; M54-M774 HydrophobicContact CE-CE 4.45Å
55	G	95.7	Very high	96.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.8	-49.8	176.8	0	0	0	0	0	112.4	V51 Y57 C58 G59 C60	V51-G55 PolarHBondContact O-N 2.88Å; G55-Y57 VanDerWaalsContact C-N 3.33Å; G55-Y57 PolarHBondContact O-N 3.31Å; G55-C58 CarbonylContact O-C 3.47Å; G55-C58 WeakPolarHBondContact O-CB 3.28Å; G55-C58 PolarHBondContact O-N 2.94Å; G55-G59 PolarHBondContact O-N 3.23Å; G55-G59 VanDerWaalsContact O-N 3.17Å; G55-C60 WeakPolarHBondContact O-CB 3.46Å; G55-C60 PolarHBondContact O-N 3.4Å
56	I	94.5	Very high	96.6	Very high	52 Å²	52	14.2 Å²	14.2	27%	0.267	7%	0.066	S	C	.	.	H	α-helix	trans	-62.4	-41.2	177.1	-67.8	170.7	0	0	0	111.2	V52 M54 C58 G59 V62 W84	V52-I56 HydrophobicContact CG1-CD1 3.68Å; V52-I56 HydrophobicContact CG1-CG1 4.48Å; V52-I56 WeakPolarHBondContact O-CB 3.29Å; V52-I56 VanDerWaalsContact O-CG1 3.26Å; V52-I56 WeakPolarHBondContact O-CG1 3.43Å; V52-I56 PolarHBondContact O-N 3.19Å; M54-I56 PolarHBondContact O-N 2.83Å; I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 PolarHBondContact O-N 3.35Å; I56-G59 PolarHBondContact O-N 3.38Å; I56-V62 HydrophobicContact CG1-CG2 4.18Å; I56-W84 HydrophobicContact CB-CE3 4.41Å; I56-W84 HydrophobicContact CD1-CB 4.42Å; I56-W84 HydrophobicContact CG2-CE3 4.2Å
57	Y	92.9	Very high	96.5	Very high	10 Å²	10	18 Å²	18	4%	0.039	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-41.4	177.2	178.4	-93.3	0	0	0	111.8	V22 R24 G25 R53 M54 G55 G59 I773 L780	V22-Y57 HydrophobicContact CB-CE1 4.38Å; V22-Y57 HydrophobicContact CG1-CD1 4.37Å; V22-Y57 HydrophobicContact CG1-CE1 4.14Å; V22-Y57 WeakPolarHBondContact O-CE1 3.03Å; V22-Y57 PolarHBondContact O-OH 3.47Å; R24-Y57 WeakPolarHBondContact CA-O 3.36Å; R24-Y57 HydrophobicContact CB-CE1 4.29Å; R24-Y57 HydrophobicContact CB-CE2 4.06Å; R24-Y57 HydrophobicContact CG-CD2 4.23Å; R24-Y57 HydrophobicContact CG-CE2 4.04Å; R24-Y57 WeakPolarHBondContact CG-O 3.38Å; G25-Y57 PolarHBondContact N-O 3Å; R53-Y57 VanDerWaalsContact O-CB 3.23Å; R53-Y57 WeakPolarHBondContact O-CB 3.32Å; R53-Y57 PolarHBondContact O-N 3.43Å; M54-Y57 PolarHBondContact O-N 3.41Å; M54-Y57 HydrophobicContact SD-CD1 4.38Å; G55-Y57 VanDerWaalsContact C-N 3.33Å; G55-Y57 PolarHBondContact O-N 3.31Å; Y57-G59 PolarHBondContact O-N 3.45Å; Y57-I773 HydrophobicContact CD1-CD1 4.38Å; Y57-I773 HydrophobicContact CD1-CG1 4.32Å; Y57-I773 HydrophobicContact CD1-CG2 3.76Å; Y57-I773 HydrophobicContact CD2-CG2 3.95Å; Y57-I773 HydrophobicContact CE1-CD1 4.03Å; Y57-I773 HydrophobicContact CE1-CG1 4Å; Y57-I773 HydrophobicContact CE1-CG2 4.28Å; Y57-I773 HydrophobicContact CE2-CG1 4.29Å; Y57-I773 HydrophobicContact CE2-CG2 4.46Å; Y57-I773 HydrophobicContact CG-CG2 3.58Å; Y57-L780 WeakPolarHBondContact OH-CD1 3.38Å
58	C	92.2	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.3	172.8	-76	0	0	0	0	113.9	G25 Q26 F27 M54 G55 I56	G25-C58 CarbonylContact C-O 3.47Å; G25-C58 VanDerWaalsContact CA-O 3.26Å; G25-C58 WeakPolarHBondContact CA-O 3.41Å; Q26-C58 PolarHBondContact N-O 3.45Å; Q26-C58 VanDerWaalsContact N-O 3.15Å; F27-C58 CarbonylContact C-O 3.55Å; F27-C58 WeakPolarHBondContact CA-O 3.28Å; F27-C58 HydrophobicContact CB-CB 4.45Å; F27-C58 HydrophobicContact CD2-CB 3.85Å; F27-C58 PolarHBondContact N-O 2.85Å; M54-C58 WeakPolarHBondContact O-CB 3.36Å; M54-C58 PolarHBondContact O-N 3.46Å; M54-C58 PolarHBondContact O-SG 3.46Å; M54-C58 VanDerWaalsContact O-SG 3.35Å; G55-C58 CarbonylContact O-C 3.47Å; G55-C58 WeakPolarHBondContact O-CB 3.28Å; G55-C58 PolarHBondContact O-N 2.94Å; I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 PolarHBondContact O-N 3.35Å
59	G	92.7	Very high	96.4	Very high	23 Å²	23	18.5 Å²	18.5	24%	0.237	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	1.5	-177.8	0	0	0	0	0	114.5	T28 G55 I56 Y57	T28-G59 WeakPolarHBondContact CA-O 3.37Å; G55-G59 PolarHBondContact O-N 3.23Å; G55-G59 VanDerWaalsContact O-N 3.17Å; I56-G59 PolarHBondContact O-N 3.38Å; Y57-G59 PolarHBondContact O-N 3.45Å
60	C	95.4	Very high	96.4	Very high	7 Å²	7	20 Å²	20	5%	0.047	9%	0.093	C	C	.	.			trans	-73.5	152.2	178.3	-48.3	0	0	0	0	111.3	E30 I32 G55 M339	E30-C60 HydrophobicContact CB-CB 4.49Å; E30-C60 CarbonylContact O-C 3.48Å; E30-C60 WeakPolarHBondContact O-CA 3.31Å; E30-C60 WeakPolarHBondContact O-CB 3.42Å; I32-C60 HydrophobicContact CD1-CB 3.89Å; I32-C60 HydrophobicContact CG1-CB 4.17Å; G55-C60 WeakPolarHBondContact O-CB 3.46Å; G55-C60 PolarHBondContact O-N 3.4Å; C60-M339 VanDerWaalsContact SG-SD 3.69Å
61	R	97.1	Very high	96.3	Very high	94 Å²	94	20 Å²	20	36%	0.355	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.6	163.9	-64.6	174	63.9	-152.5	2.2	108.4	E30 C31 I32 F63 E81	E30-R61 PolarHBondContact O-N 3.3Å; C31-R61 CarbonylContact C-O 3.56Å; C31-R61 WeakPolarHBondContact CA-O 3.48Å; I32-R61 PolarHBondContact N-O 3.49Å; R61-F63 HydrophobicContact CB-CE2 4.04Å; R61-E81 WeakPolarHBondContact CG-OE1 3.21Å; R61-E81 IonicContact CZ-OE1 3.75Å; R61-E81 IonicContact CZ-OE2 3.52Å; R61-E81 IonicContact NE-OE1 2.96Å; R61-E81 PolarHBondContact NE-OE1 2.94Å; R61-E81 IonicContact NE-OE2 3.67Å; R61-E81 IonicContact NH2-OE1 3.87Å; R61-E81 IonicContact NH2-OE2 2.71Å; R61-E81 PolarHBondContact NH2-OE2 3.33Å
62	V	98	Very high	96.3	Very high	1 Å²	1	20 Å²	20	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.6	-176.9	-168.7	0	0	0	0	110.1	I32 V51 V52 I56 A82	I32-V62 CarbonylContact O-C 3.57Å; I32-V62 VanDerWaalsContact O-CA 3.23Å; I32-V62 WeakPolarHBondContact O-CA 3.5Å; V51-V62 HydrophobicContact CG1-CG1 4.47Å; V52-V62 HydrophobicContact CB-CG1 4.43Å; V52-V62 HydrophobicContact CG2-CG1 3.88Å; I56-V62 HydrophobicContact CG1-CG2 4.18Å; V62-A82 WeakPolarHBondContact O-CB 3.19Å; V62-A82 PolarHBondContact O-N 3.45Å
63	F	98.5	Very high	96.3	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.035	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.1	-179.7	-67.1	-100	0	0	0	111.5	C31 I32 A33 V34 R61 I79 Q80 E81 I124	C31-F63 HydrophobicContact CB-CE2 4.34Å; I32-F63 PolarHBondContact O-N 2.92Å; A33-F63 CarbonylContact C-O 3.55Å; A33-F63 VanDerWaalsContact CA-O 3.28Å; A33-F63 WeakPolarHBondContact CA-O 3.47Å; A33-F63 HydrophobicContact CB-CB 4.11Å; V34-F63 PolarHBondContact N-O 3.46Å; R61-F63 HydrophobicContact CB-CE2 4.04Å; F63-I79 HydrophobicContact CB-CG2 4.31Å; F63-I79 HydrophobicContact CD1-CG2 4.07Å; F63-I79 HydrophobicContact CG-CG2 4.5Å; F63-Q80 CarbonylContact C-O 3.57Å; F63-Q80 VanDerWaalsContact CA-O 3.25Å; F63-Q80 WeakPolarHBondContact CA-O 3.37Å; F63-E81 HydrophobicContact CD1-CB 3.96Å; F63-E81 HydrophobicContact CE1-CB 3.72Å; F63-E81 HydrophobicContact CE1-CG 4.22Å; F63-E81 HydrophobicContact CZ-CB 4.25Å; F63-E81 HydrophobicContact CZ-CG 4.26Å; F63-I124 HydrophobicContact CB-CD1 4.13Å; F63-I124 HydrophobicContact CD1-CD1 4.45Å; F63-I124 HydrophobicContact CD2-CD1 4.13Å; F63-I124 HydrophobicContact CD2-CG1 4.02Å; F63-I124 HydrophobicContact CE2-CG1 4.33Å; F63-I124 HydrophobicContact CG-CD1 3.99Å; F63-I124 HydrophobicContact CG-CG1 4.4Å
64	F	98.5	Very high	96.4	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.022	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135	161.8	-61.4	-50.9	0	0	0	110.1	V34 V48 V52 I79 Q80 A82 D86 V87 I98	V34-F64 HydrophobicContact CG1-CD1 3.93Å; V34-F64 HydrophobicContact CG1-CE1 4.41Å; V48-F64 HydrophobicContact CG1-CD1 4.21Å; V48-F64 HydrophobicContact CG1-CE1 3.66Å; V52-F64 HydrophobicContact CG2-CD1 4.36Å; V52-F64 HydrophobicContact CG2-CE1 3.51Å; V52-F64 HydrophobicContact CG2-CZ 3.95Å; F64-I79 WeakPolarHBondContact O-CA 3.44Å; F64-Q80 PolarHBondContact N-O 2.97Å; F64-Q80 PolarHBondContact O-N 3.02Å; F64-A82 HydrophobicContact CD1-CB 4.25Å; F64-A82 HydrophobicContact CD2-CB 3.73Å; F64-A82 HydrophobicContact CE1-CB 3.95Å; F64-A82 HydrophobicContact CE2-CB 3.37Å; F64-A82 HydrophobicContact CG-CB 4.17Å; F64-A82 HydrophobicContact CZ-CB 3.5Å; F64-A82 VanDerWaalsContact CZ-CB 3.5Å; F64-D86 HydrophobicContact CE2-CB 3.75Å; F64-D86 HydrophobicContact CZ-CB 4.06Å; F64-V87 HydrophobicContact CE1-CG1 4Å; F64-V87 HydrophobicContact CZ-CG1 3.63Å; F64-I98 HydrophobicContact CB-CG2 3.96Å; F64-I98 HydrophobicContact CD1-CG2 3.55Å; F64-I98 HydrophobicContact CD2-CG2 4.47Å; F64-I98 HydrophobicContact CE1-CG2 4.1Å; F64-I98 HydrophobicContact CG-CG2 3.75Å
65	I	98.4	Very high	96.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	110.9	161.8	-62.9	159	0	0	0	106.7	A33 V34 L35 G68 L72 N78 I79 L127	A33-I65 HydrophobicContact CB-CD1 3.58Å; A33-I65 HydrophobicContact CB-CG1 4.07Å; V34-I65 PolarHBondContact O-N 2.81Å; L35-I65 HydrophobicContact CB-CB 3.73Å; L35-I65 HydrophobicContact CB-CD1 4.13Å; L35-I65 HydrophobicContact CB-CG2 3.98Å; L35-I65 HydrophobicContact CD2-CD1 4.08Å; L35-I65 HydrophobicContact CD2-CG2 4.41Å; I65-G68 WeakPolarHBondContact CG2-O 3.28Å; I65-L72 HydrophobicContact CD1-CD1 3.83Å; I65-L72 HydrophobicContact CG1-CD1 4.36Å; I65-L72 HydrophobicContact CG2-CB 3.85Å; I65-L72 HydrophobicContact CG2-CD1 4.44Å; I65-N78 CarbonylContact C-O 3.58Å; I65-N78 WeakPolarHBondContact CA-O 3.39Å; I65-I79 HydrophobicContact CG1-CG1 4.38Å; I65-L127 HydrophobicContact CD1-CD1 3.5Å; I65-L127 VanDerWaalsContact CD1-CD1 3.5Å
66	R	97.7	Very high	96.4	Very high	72 Å²	72	26.7 Å²	26.7	27%	0.272	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	154.1	-179.3	-66	-177.4	176.3	-93	1.3	111.5	G68 G71 N78 I98	R66-G68 PolarHBondContact O-N 2.93Å; R66-G68 VanDerWaalsContact O-N 3.1Å; R66-G71 WeakPolarHBondContact O-CA 3.31Å; R66-G71 PolarHBondContact O-N 3.02Å; R66-N78 HydrophobicContact CB-CB 4.45Å; R66-N78 PolarHBondContact N-O 3.35Å; R66-I98 CarbonylContact C-O 3.51Å; R66-I98 WeakPolarHBondContact CA-O 3.4Å
67	E	96.8	Very high	96.4	Very high	79 Å²	79	32.3 Å²	32.3	37%	0.369	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	30.1	175.2	-52.2	-48.7	134.8	0	0	114.3	Q70 I98 A101	E67-Q70 WeakPolarHBondContact O-CB 3.45Å; E67-Q70 PolarHBondContact O-N 2.94Å; E67-I98 PolarHBondContact N-O 2.57Å; E67-A101 HydrophobicContact CB-CB 3.97Å; E67-A101 WeakPolarHBondContact O-CB 3.38Å; E67-A101 PolarHBondContact O-N 3.16Å
68	G	96.6	Very high	96.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-137.7	176.7	0	0	0	0	0	113.6	T36 I65 R66 Q70 G71 L72	T36-G68 WeakPolarHBondContact O-CA 3.41Å; T36-G68 PolarHBondContact O-N 2.9Å; I65-G68 WeakPolarHBondContact CG2-O 3.28Å; R66-G68 PolarHBondContact O-N 2.93Å; R66-G68 VanDerWaalsContact O-N 3.1Å; G68-Q70 PolarHBondContact O-N 3.42Å; G68-G71 PolarHBondContact O-N 3.31Å; G68-L72 PolarHBondContact O-N 3.16Å
69	Y	97.4	Very high	96.9	Very high	13 Å²	13	34.3 Å²	34.3	5%	0.051	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-25.3	179.2	-73.1	-63.7	0	0	0	113.2	L35 S37 L72 V73 F106 S135 A139	L35-Y69 HydrophobicContact CD2-CD1 4.21Å; L35-Y69 HydrophobicContact CD2-CE1 4.11Å; S37-Y69 VanDerWaalsContact OG-CD2 3.25Å; S37-Y69 WeakPolarHBondContact OG-CD2 3.34Å; S37-Y69 WeakPolarHBondContact OG-CE2 3.39Å; Y69-L72 HydrophobicContact CD1-CD2 4.07Å; Y69-L72 HydrophobicContact CE1-CD2 4.45Å; Y69-L72 WeakPolarHBondContact O-CB 3.38Å; Y69-L72 PolarHBondContact O-N 3.47Å; Y69-V73 WeakPolarHBondContact O-CG2 3.39Å; Y69-V73 PolarHBondContact O-N 3.28Å; Y69-F106 AromaticContact CD1-CD1 3.61Å; Y69-F106 HydrophobicContact CD1-CD1 3.61Å; Y69-F106 AromaticContact CD1-CD2 3.97Å; Y69-F106 HydrophobicContact CD1-CD2 3.97Å; Y69-F106 AromaticContact CD1-CE1 3.41Å; Y69-F106 HydrophobicContact CD1-CE1 3.41Å; Y69-F106 VanDerWaalsContact CD1-CE1 3.41Å; Y69-F106 AromaticContact CD1-CE2 3.78Å; Y69-F106 HydrophobicContact CD1-CE2 3.78Å; Y69-F106 AromaticContact CD1-CG 3.88Å; Y69-F106 HydrophobicContact CD1-CG 3.88Å; Y69-F106 AromaticContact CD1-CZ 3.49Å; Y69-F106 HydrophobicContact CD1-CZ 3.49Å; Y69-F106 VanDerWaalsContact CD1-CZ 3.49Å; Y69-F106 HydrophobicContact CD2-CD1 4.3Å; Y69-F106 AromaticContact CE1-CD1 3.97Å; Y69-F106 HydrophobicContact CE1-CD1 3.97Å; Y69-F106 AromaticContact CE1-CE1 3.35Å; Y69-F106 HydrophobicContact CE1-CE1 3.35Å; Y69-F106 HydrophobicContact CE1-CE2 4.24Å; Y69-F106 AromaticContact CE1-CZ 3.5Å; Y69-F106 HydrophobicContact CE1-CZ 3.5Å; Y69-F106 HydrophobicContact CG-CB 4.49Å; Y69-F106 AromaticContact CG-CD1 3.8Å; Y69-F106 HydrophobicContact CG-CD1 3.8Å; Y69-F106 HydrophobicContact CG-CD2 4.43Å; Y69-F106 HydrophobicContact CG-CE1 4.07Å; Y69-F106 AromaticContact CG-CG 4Å; Y69-F106 HydrophobicContact CG-CG 4Å; Y69-F106 HydrophobicContact CG-CZ 4.47Å; Y69-F106 AromaticContact CZ-CE1 3.94Å; Y69-S135 PolarHBondContact OH-O 3.27Å; Y69-A139 WeakPolarHBondContact OH-CA 3.48Å; Y69-A139 WeakPolarHBondContact OH-CB 3.5Å; Y69-A139 PolarHBondContact OH-N 2.63Å; Y69-A139 VanDerWaalsContact OH-N 3.12Å
70	Q	96.8	Very high	97.1	Very high	39 Å²	39	36.7 Å²	36.7	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-48.9	178.8	-171.9	61.2	50.1	0	0	110.4	E67 G68 L72 V73 D74 A101 C103	E67-Q70 WeakPolarHBondContact O-CB 3.45Å; E67-Q70 PolarHBondContact O-N 2.94Å; G68-Q70 PolarHBondContact O-N 3.42Å; Q70-L72 PolarHBondContact O-N 3.43Å; Q70-V73 PolarHBondContact O-N 3Å; Q70-V73 VanDerWaalsContact O-N 3.09Å; Q70-D74 PolarHBondContact NE2-OD1 2.98Å; Q70-D74 WeakPolarHBondContact O-CB 3.37Å; Q70-D74 PolarHBondContact O-N 2.8Å; Q70-A101 HydrophobicContact CB-CB 4.02Å; Q70-C103 HydrophobicContact CB-CB 4.17Å; Q70-C103 PolarHBondContact OE1-SG 3.1Å
71	G	97.4	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-24.5	176.8	0	0	0	0	0	113.6	R66 G68 G75 N78	R66-G71 WeakPolarHBondContact O-CA 3.31Å; R66-G71 PolarHBondContact O-N 3.02Å; G68-G71 PolarHBondContact O-N 3.31Å; G71-G75 PolarHBondContact O-N 3.17Å; G71-N78 WeakPolarHBondContact O-CB 3.33Å
72	L	97.5	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-41.8	170	-171.8	57.8	0	0	0	112	L35 I65 G68 Y69 Q70 I79 F106 A115 N118 L119 F142	L35-L72 HydrophobicContact CD2-CD2 4.27Å; I65-L72 HydrophobicContact CD1-CD1 3.83Å; I65-L72 HydrophobicContact CG1-CD1 4.36Å; I65-L72 HydrophobicContact CG2-CB 3.85Å; I65-L72 HydrophobicContact CG2-CD1 4.44Å; G68-L72 PolarHBondContact O-N 3.16Å; Y69-L72 HydrophobicContact CD1-CD2 4.07Å; Y69-L72 HydrophobicContact CE1-CD2 4.45Å; Y69-L72 WeakPolarHBondContact O-CB 3.38Å; Y69-L72 PolarHBondContact O-N 3.47Å; Q70-L72 PolarHBondContact O-N 3.43Å; L72-I79 HydrophobicContact CD1-CD1 4.3Å; L72-F106 HydrophobicContact CD2-CE2 4.06Å; L72-F106 HydrophobicContact CD2-CZ 4.47Å; L72-A115 HydrophobicContact CD2-CB 3.93Å; L72-A115 HydrophobicContact CG-CB 3.67Å; L72-N118 PolarHBondContact O-ND2 2.56Å; L72-L119 HydrophobicContact CD1-CD1 4.29Å; L72-L119 HydrophobicContact CD1-CD2 3.68Å; L72-L119 HydrophobicContact CD1-CG 3.79Å; L72-F142 HydrophobicContact CD2-CE1 4.27Å
73	V	97.5	Very high	97	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-70.6	-43.9	176.6	174.2	0	0	0	0	111.4	Y69 Q70 D105 F106 K114 A115 N118	Y69-V73 WeakPolarHBondContact O-CG2 3.39Å; Y69-V73 PolarHBondContact O-N 3.28Å; Q70-V73 PolarHBondContact O-N 3Å; Q70-V73 VanDerWaalsContact O-N 3.09Å; V73-D105 HydrophobicContact CG1-CB 4.13Å; V73-F106 HydrophobicContact CG2-CB 4.18Å; V73-F106 HydrophobicContact CG2-CD2 3.78Å; V73-F106 HydrophobicContact CG2-CG 4.49Å; V73-K114 HydrophobicContact CG1-CB 4.16Å; V73-K114 HydrophobicContact CG1-CD 4Å; V73-A115 HydrophobicContact CG2-CB 4.39Å; V73-N118 PolarHBondContact O-ND2 3.27Å
74	D	97	Very high	96.6	Very high	88 Å²	88	40.4 Å²	40.4	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-68.6	-36.2	-177.3	-66.4	-14.1	0	0	0	112	Q70 N78	Q70-D74 PolarHBondContact NE2-OD1 2.98Å; Q70-D74 WeakPolarHBondContact O-CB 3.37Å; Q70-D74 PolarHBondContact O-N 2.8Å; D74-N78 VanDerWaalsContact CB-ND2 3.29Å; D74-N78 WeakPolarHBondContact CB-ND2 3.26Å
75	G	95.4	Very high	96.1	Very high	4 Å²	4	42.4 Å²	42.4	4%	0.041	23%	0.23	C	C	.	.			trans	65.3	-154.5	-179	0	0	0	0	0	113.4	G71 Q77 N78 N118	G71-G75 PolarHBondContact O-N 3.17Å; G75-Q77 PolarHBondContact O-N 3.18Å; G75-N78 WeakPolarHBondContact O-CB 3.46Å; G75-N78 PolarHBondContact O-N 2.73Å; G75-N78 VanDerWaalsContact O-N 3.12Å; G75-N118 VanDerWaalsContact CA-ND2 3.31Å; G75-N118 WeakPolarHBondContact CA-ND2 3.26Å; G75-N118 PolarHBondContact N-ND2 2.79Å
76	G	95.1	Very high	95.8	Very high	60 Å²	60	45.3 Å²	45.3	62%	0.619	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	58.1	-123.6	176.7	0	0	0	0	0	112.7	N78 I79	G76-N78 PolarHBondContact O-N 3.28Å; G76-N78 VanDerWaalsContact O-N 3.09Å; G76-I79 PolarHBondContact O-N 2.74Å; G76-I79 VanDerWaalsContact O-N 3.09Å
77	Q	95.1	Very high	95.6	Very high	170 Å²	170	41.9 Å²	41.9	79%	0.794	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-64.7	-13.1	-178.3	-66.4	-172.6	-5.4	0	0	113.9	G75 I79 Q80	G75-Q77 PolarHBondContact O-N 3.18Å; Q77-I79 VanDerWaalsContact C-N 3.31Å; Q77-Q80 WeakPolarHBondContact O-CG 3.34Å; Q77-Q80 PolarHBondContact O-NE2 3.25Å
78	N	97.5	Very high	95.2	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.219	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-79.5	-14.8	176.1	-67.7	-40.1	0	0	0	113	I65 R66 G71 D74 G75 G76	I65-N78 CarbonylContact C-O 3.58Å; I65-N78 WeakPolarHBondContact CA-O 3.39Å; R66-N78 HydrophobicContact CB-CB 4.45Å; R66-N78 PolarHBondContact N-O 3.35Å; G71-N78 WeakPolarHBondContact O-CB 3.33Å; D74-N78 VanDerWaalsContact CB-ND2 3.29Å; D74-N78 WeakPolarHBondContact CB-ND2 3.26Å; G75-N78 WeakPolarHBondContact O-CB 3.46Å; G75-N78 PolarHBondContact O-N 2.73Å; G75-N78 VanDerWaalsContact O-N 3.12Å; G76-N78 PolarHBondContact O-N 3.28Å; G76-N78 VanDerWaalsContact O-N 3.09Å
79	I	98.2	Very high	94.8	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	104.9	175.2	-55.3	-179.4	0	0	0	107.9	F63 F64 I65 L72 G76 Q77 N118 N122 I124	F63-I79 HydrophobicContact CB-CG2 4.31Å; F63-I79 HydrophobicContact CD1-CG2 4.07Å; F63-I79 HydrophobicContact CG-CG2 4.5Å; F64-I79 WeakPolarHBondContact O-CA 3.44Å; I65-I79 HydrophobicContact CG1-CG1 4.38Å; L72-I79 HydrophobicContact CD1-CD1 4.3Å; G76-I79 PolarHBondContact O-N 2.74Å; G76-I79 VanDerWaalsContact O-N 3.09Å; Q77-I79 VanDerWaalsContact C-N 3.31Å; I79-N118 HydrophobicContact CD1-CB 3.83Å; I79-N122 HydrophobicContact CG2-CB 4.47Å; I79-I124 HydrophobicContact CG2-CD1 3.83Å
80	Q	97.5	Very high	94.7	Very high	73 Å²	73	40.4 Å²	40.4	34%	0.341	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.8	-172.1	-63	179.1	-3.7	0	0	110.7	F63 F64 Q77 A82	F63-Q80 CarbonylContact C-O 3.57Å; F63-Q80 VanDerWaalsContact CA-O 3.25Å; F63-Q80 WeakPolarHBondContact CA-O 3.37Å; F64-Q80 PolarHBondContact N-O 2.97Å; F64-Q80 PolarHBondContact O-N 3.02Å; Q77-Q80 WeakPolarHBondContact O-CG 3.34Å; Q77-Q80 PolarHBondContact O-NE2 3.25Å; Q80-A82 PolarHBondContact O-N 3.25Å
81	E	97.4	Very high	94.6	Very high	97 Å²	97	38.7 Å²	38.7	45%	0.453	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	129.9	172.2	-166.6	161.4	-174.2	0	0	109.8	R61 F63	R61-E81 WeakPolarHBondContact CG-OE1 3.21Å; R61-E81 IonicContact CZ-OE1 3.75Å; R61-E81 IonicContact CZ-OE2 3.52Å; R61-E81 IonicContact NE-OE1 2.96Å; R61-E81 PolarHBondContact NE-OE1 2.94Å; R61-E81 IonicContact NE-OE2 3.67Å; R61-E81 IonicContact NH2-OE1 3.87Å; R61-E81 IonicContact NH2-OE2 2.71Å; R61-E81 PolarHBondContact NH2-OE2 3.33Å; F63-E81 HydrophobicContact CD1-CB 3.96Å; F63-E81 HydrophobicContact CE1-CB 3.72Å; F63-E81 HydrophobicContact CE1-CG 4.22Å; F63-E81 HydrophobicContact CZ-CB 4.25Å; F63-E81 HydrophobicContact CZ-CG 4.26Å
82	A	96.5	Very high	94.5	Very high	8 Å²	8	40 Å²	40	7%	0.066	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-94.5	135.5	-176.4	0	0	0	0	0	110.5	V52 V62 F64 Q80	V52-A82 HydrophobicContact CG1-CB 3.99Å; V52-A82 HydrophobicContact CG2-CB 3.98Å; V62-A82 WeakPolarHBondContact O-CB 3.19Å; V62-A82 PolarHBondContact O-N 3.45Å; F64-A82 HydrophobicContact CD1-CB 4.25Å; F64-A82 HydrophobicContact CD2-CB 3.73Å; F64-A82 HydrophobicContact CE1-CB 3.95Å; F64-A82 HydrophobicContact CE2-CB 3.37Å; F64-A82 HydrophobicContact CG-CB 4.17Å; F64-A82 HydrophobicContact CZ-CB 3.5Å; F64-A82 VanDerWaalsContact CZ-CB 3.5Å; Q80-A82 PolarHBondContact O-N 3.25Å
83	S	93.3	Very high	94.4	Very high	49 Å²	49	43.8 Å²	43.8	34%	0.343	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-98.3	165.8	169.2	74.7	0	0	0	0	111.8	A85 D86	S83-A85 PolarHBondContact O-N 3.48Å; S83-A85 PolarHBondContact OG-N 3.29Å; S83-D86 WeakPolarHBondContact CA-OD2 3.24Å; S83-D86 VanDerWaalsContact CB-OD2 3.31Å; S83-D86 WeakPolarHBondContact CB-OD2 3.23Å; S83-D86 PolarHBondContact N-OD2 2.92Å; S83-D86 PolarHBondContact O-N 2.7Å; S83-D86 VanDerWaalsContact O-N 3.15Å; S83-D86 PolarHBondContact OG-N 2.5Å; S83-D86 PolarHBondContact OG-OD2 2.82Å
84	W	90.2	Very high	94.2	Very high	35 Å²	35	45 Å²	45	13%	0.133	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.5	172.3	-172.5	-89.5	0	0	0	112.9	R53 I56 D86 S88 I773 M774 K776	R53-W84 HydrophobicContact CB-CE3 4.2Å; R53-W84 HydrophobicContact CB-CH2 3.62Å; R53-W84 HydrophobicContact CB-CZ2 4.35Å; R53-W84 HydrophobicContact CB-CZ3 3.55Å; R53-W84 VanDerWaalsContact CD-CZ2 3.43Å; R53-W84 HydrophobicContact CG-CD2 4.11Å; R53-W84 HydrophobicContact CG-CE3 3.87Å; R53-W84 HydrophobicContact CG-CH2 3.59Å; R53-W84 HydrophobicContact CG-CZ2 3.83Å; R53-W84 HydrophobicContact CG-CZ3 3.63Å; R53-W84 WeakPolarHBondContact O-CZ3 3.49Å; I56-W84 HydrophobicContact CB-CE3 4.41Å; I56-W84 HydrophobicContact CD1-CB 4.42Å; I56-W84 HydrophobicContact CG2-CE3 4.2Å; W84-D86 VanDerWaalsContact C-N 3.32Å; W84-S88 PolarHBondContact O-OG 3.17Å; W84-I773 VanDerWaalsContact CH2-O 3.31Å; W84-I773 WeakPolarHBondContact CH2-O 3.32Å; W84-M774 WeakPolarHBondContact CZ2-O 3.49Å; W84-K776 HydrophobicContact CD2-CB 4.47Å; W84-K776 HydrophobicContact CD2-CD 4.13Å; W84-K776 HydrophobicContact CE3-CD 4.49Å; W84-K776 HydrophobicContact CG-CD 4.42Å; W84-K776 HydrophobicContact CH2-CB 3.75Å; W84-K776 HydrophobicContact CH2-CG 4.31Å; W84-K776 HydrophobicContact CZ2-CB 3.46Å; W84-K776 VanDerWaalsContact CZ2-CB 3.46Å; W84-K776 HydrophobicContact CZ2-CG 4.28Å; W84-K776 HydrophobicContact CZ3-CB 4.36Å; W84-K776 HydrophobicContact CZ3-CG 4.44Å
85	A	88.1	Confident	94.1	Very high	47 Å²	47	41.3 Å²	41.3	39%	0.388	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-68.8	-32.6	-179.4	0	0	0	0	0	111.5	S83 V87 S88	S83-A85 PolarHBondContact O-N 3.48Å; S83-A85 PolarHBondContact OG-N 3.29Å; A85-V87 PolarHBondContact O-N 2.62Å; A85-S88 VanDerWaalsContact O-CB 3.23Å; A85-S88 WeakPolarHBondContact O-CB 3.46Å; A85-S88 PolarHBondContact O-N 3.22Å; A85-S88 PolarHBondContact O-OG 3.2Å
86	D	92	Very high	94.1	Very high	60 Å²	60	42.3 Å²	42.3	32%	0.321	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-64	-24.5	-177.2	-67.2	-48.1	0	0	0	113.7	F64 S83 W84 K97	F64-D86 HydrophobicContact CE2-CB 3.75Å; F64-D86 HydrophobicContact CZ-CB 4.06Å; S83-D86 WeakPolarHBondContact CA-OD2 3.24Å; S83-D86 VanDerWaalsContact CB-OD2 3.31Å; S83-D86 WeakPolarHBondContact CB-OD2 3.23Å; S83-D86 PolarHBondContact N-OD2 2.92Å; S83-D86 PolarHBondContact O-N 2.7Å; S83-D86 VanDerWaalsContact O-N 3.15Å; S83-D86 PolarHBondContact OG-N 2.5Å; S83-D86 PolarHBondContact OG-OD2 2.82Å; W84-D86 VanDerWaalsContact C-N 3.32Å; D86-K97 PolarHBondContact O-NZ 3.4Å
87	V	93.7	Very high	94.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-102.6	14.1	175.8	-61.3	0	0	0	0	113	R49 V52 R53 F64 A85 I90	R49-V87 HydrophobicContact CB-CB 4Å; R49-V87 HydrophobicContact CB-CG2 4.44Å; R49-V87 WeakPolarHBondContact CD-O 3.44Å; R49-V87 HydrophobicContact CG-CB 3.96Å; R49-V87 HydrophobicContact CG-CG2 3.97Å; V52-V87 HydrophobicContact CB-CG1 3.76Å; V52-V87 HydrophobicContact CB-CG2 4.07Å; V52-V87 HydrophobicContact CG1-CG1 3.94Å; V52-V87 HydrophobicContact CG1-CG2 3.88Å; V52-V87 HydrophobicContact CG2-CG1 3.75Å; R53-V87 HydrophobicContact CG-CG2 3.79Å; F64-V87 HydrophobicContact CE1-CG1 4Å; F64-V87 HydrophobicContact CZ-CG1 3.63Å; A85-V87 PolarHBondContact O-N 2.62Å; V87-I90 HydrophobicContact CB-CD1 3.94Å; V87-I90 HydrophobicContact CB-CG1 4.37Å; V87-I90 HydrophobicContact CG1-CD1 4.02Å; V87-I90 WeakPolarHBondContact O-CG1 3.49Å
88	S	89	Confident	94.3	Very high	33 Å²	33	35.4 Å²	35.4	23%	0.231	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	131.4	174.1	-63.9	0	0	0	0	110.7	R53 W84 A85 I90	R53-S88 PolarHBondContact NH2-OG 3.19Å; W84-S88 PolarHBondContact O-OG 3.17Å; A85-S88 VanDerWaalsContact O-CB 3.23Å; A85-S88 WeakPolarHBondContact O-CB 3.46Å; A85-S88 PolarHBondContact O-N 3.22Å; A85-S88 PolarHBondContact O-OG 3.2Å; S88-I90 VanDerWaalsContact C-N 3.34Å; S88-I90 PolarHBondContact O-N 3.18Å
89	G	87.9	Confident	94.2	Very high	22 Å²	22	34.1 Å²	34.1	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	14.8	174.5	0	0	0	0	0	116	Q92	G89-Q92 PolarHBondContact O-NE2 2.86Å; G89-Q92 PolarHBondContact O-OE1 3.01Å
90	I	94.7	Very high	93.9	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	21%	0.21	C	C	.	.			trans	-99.5	-11.5	179.6	71.3	166.6	0	0	0	112.7	N45 R49 V87 S88 Q92 L93 K97	N45-I90 HydrophobicContact CB-CB 4.34Å; N45-I90 HydrophobicContact CB-CD1 4.23Å; N45-I90 HydrophobicContact CB-CG1 4.26Å; N45-I90 VanDerWaalsContact CB-O 3.22Å; N45-I90 WeakPolarHBondContact CB-O 3.5Å; R49-I90 HydrophobicContact CB-CD1 4.11Å; R49-I90 HydrophobicContact CB-CG1 4.17Å; V87-I90 HydrophobicContact CB-CD1 3.94Å; V87-I90 HydrophobicContact CB-CG1 4.37Å; V87-I90 HydrophobicContact CG1-CD1 4.02Å; V87-I90 WeakPolarHBondContact O-CG1 3.49Å; S88-I90 VanDerWaalsContact C-N 3.34Å; S88-I90 PolarHBondContact O-N 3.18Å; I90-Q92 VanDerWaalsContact C-N 3.25Å; I90-Q92 PolarHBondContact O-N 2.74Å; I90-L93 HydrophobicContact CB-CD1 4.19Å; I90-L93 HydrophobicContact CG2-CD1 4.17Å; I90-L93 WeakPolarHBondContact O-CB 3.45Å; I90-L93 PolarHBondContact O-N 3.34Å; I90-K97 HydrophobicContact CD1-CD 4.36Å; I90-K97 HydrophobicContact CG2-CD 3.6Å
91	L	95	Very high	93.6	Very high	4 Å²	4	33 Å²	33	2%	0.021	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.6	-173.8	-171.3	63.5	0	0	0	112.9	A46 P319 R324 A608	A46-L91 HydrophobicContact CB-CD1 3.47Å; A46-L91 VanDerWaalsContact CB-CD1 3.47Å; L91-P319 WeakPolarHBondContact O-CG 3.25Å; L91-R324 HydrophobicContact CD1-CB 4.2Å; L91-R324 HydrophobicContact CD1-CG 4.47Å; L91-R324 HydrophobicContact CG-CB 4.43Å; L91-R324 HydrophobicContact CG-CG 4.38Å; L91-A608 WeakPolarHBondContact CD2-O 3.2Å
92	Q	94.8	Very high	93	Very high	27 Å²	27	39.9 Å²	39.9	13%	0.126	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.9	178.6	75	-74.3	-6.1	0	0	114.3	G89 I90 S318 P319 D575	G89-Q92 PolarHBondContact O-NE2 2.86Å; G89-Q92 PolarHBondContact O-OE1 3.01Å; I90-Q92 VanDerWaalsContact C-N 3.25Å; I90-Q92 PolarHBondContact O-N 2.74Å; Q92-S318 WeakPolarHBondContact O-CB 3.33Å; Q92-S318 PolarHBondContact O-OG 2.68Å; Q92-P319 WeakPolarHBondContact O-CD 3.3Å; Q92-D575 VanDerWaalsContact CB-OD1 3.3Å; Q92-D575 WeakPolarHBondContact CB-OD1 3.24Å; Q92-D575 WeakPolarHBondContact CB-OD2 3.12Å
93	L	95.8	Very high	92.7	Very high	80 Å²	80	40.2 Å²	40.2	42%	0.419	23%	0.228	S	C	.	.			trans	-82.3	134.9	-177.8	-58.6	-179.2	0	0	0	110.3	N45 I90	N45-L93 PolarHBondContact ND2-O 3.38Å; I90-L93 HydrophobicContact CB-CD1 4.19Å; I90-L93 HydrophobicContact CG2-CD1 4.17Å; I90-L93 WeakPolarHBondContact O-CB 3.45Å; I90-L93 PolarHBondContact O-N 3.34Å
94	G	94.1	Very high	92.5	Very high	30 Å²	30	44.4 Å²	44.4	31%	0.309	24%	0.244	S	C	.	.	S	Bend	trans	-68.3	172.7	166.8	0	0	0	0	0	112.7	N45 G317	N45-G94 PolarHBondContact ND2-O 3.34Å; N45-G94 VanDerWaalsContact ND2-O 3.09Å; G94-G317 WeakPolarHBondContact CA-O 3.49Å
95	G	94.9	Very high	92.7	Very high	10 Å²	10	44.8 Å²	44.8	10%	0.103	25%	0.249	C	C	.	.	S	Bend	trans	60.1	-144.3	-179.2	0	0	0	0	0	113.4	D40 N45	D40-G95 WeakPolarHBondContact OD2-CA 3.28Å; N45-G95 PolarHBondContact ND2-O 3.37Å; N45-G95 VanDerWaalsContact ND2-O 3.17Å
96	T	96.3	Very high	93	Very high	25 Å²	25	43.1 Å²	43.1	15%	0.153	23%	0.233	C	C	.	.			trans	-133.8	129.6	177.3	172.2	0	0	0	0	111.8	T36 N45 I98 G99	T36-T96 WeakPolarHBondContact CG2-OG1 3.4Å; T36-T96 WeakPolarHBondContact OG1-CB 3.21Å; T36-T96 WeakPolarHBondContact OG1-CG2 3.28Å; T36-T96 PolarHBondContact OG1-OG1 2.81Å; N45-T96 WeakPolarHBondContact OD1-CA 3.37Å; T96-I98 PolarHBondContact O-N 2.94Å; T96-I98 WeakPolarHBondContact OG1-CG1 3.04Å; T96-I98 PolarHBondContact OG1-N 2.79Å; T96-G99 WeakPolarHBondContact CG2-O 3.39Å; T96-G99 PolarHBondContact O-N 2.79Å
97	K	95.8	Very high	92.9	Very high	84 Å²	84	49.3 Å²	49.3	37%	0.365	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.7	177.8	179.8	179.4	-180	177.5	0	112	N45 D86 I90 G99	N45-K97 WeakPolarHBondContact OD1-CB 3.46Å; N45-K97 PolarHBondContact OD1-N 2.76Å; D86-K97 PolarHBondContact O-NZ 3.4Å; I90-K97 HydrophobicContact CD1-CD 4.36Å; I90-K97 HydrophobicContact CG2-CD 3.6Å; K97-G99 VanDerWaalsContact C-N 3.34Å
98	I	97.2	Very high	92.9	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	3.8	-176	61.5	173.8	0	0	0	112.3	T36 V48 F64 R66 E67 T96	T36-I98 HydrophobicContact CG2-CD1 4.19Å; T36-I98 HydrophobicContact CG2-CG1 4.28Å; T36-I98 VanDerWaalsContact OG1-CG1 3.27Å; T36-I98 WeakPolarHBondContact OG1-CG1 3.29Å; V48-I98 HydrophobicContact CG2-CD1 4.02Å; V48-I98 HydrophobicContact CG2-CG1 4.46Å; F64-I98 HydrophobicContact CB-CG2 3.96Å; F64-I98 HydrophobicContact CD1-CG2 3.55Å; F64-I98 HydrophobicContact CD2-CG2 4.47Å; F64-I98 HydrophobicContact CE1-CG2 4.1Å; F64-I98 HydrophobicContact CG-CG2 3.75Å; R66-I98 CarbonylContact C-O 3.51Å; R66-I98 WeakPolarHBondContact CA-O 3.4Å; E67-I98 PolarHBondContact N-O 2.57Å; T96-I98 PolarHBondContact O-N 2.94Å; T96-I98 WeakPolarHBondContact OG1-CG1 3.04Å; T96-I98 PolarHBondContact OG1-N 2.79Å
99	G	95.6	Very high	93.2	Very high	13 Å²	13	57.6 Å²	57.6	13%	0.134	28%	0.283	C	S	.	.			trans	74.1	169	178.8	0	0	0	0	0	113.2	T36 T96 K97	T36-G99 PolarHBondContact OG1-O 3.13Å; T96-G99 WeakPolarHBondContact CG2-O 3.39Å; T96-G99 PolarHBondContact O-N 2.79Å; K97-G99 VanDerWaalsContact C-N 3.34Å
100	S	93.2	Very high	93.6	Very high	33 Å²	33	61.7 Å²	61.7	23%	0.231	29%	0.292	C	S	.	.			trans	-156.8	106.9	178.3	-178.7	0	0	0	0	108.6	S37 G38	S37-S100 WeakPolarHBondContact CA-OG 3.16Å; G38-S100 PolarHBondContact N-OG 2.65Å; G38-S100 PolarHBondContact O-OG 3.33Å
101	A	89.7	Confident	93.7	Very high	29 Å²	29	61.4 Å²	61.4	24%	0.24	29%	0.291	C	S	.	.			trans	-107.2	149.1	177.1	0	0	0	0	0	111.1	E67 Q70 C103	E67-A101 HydrophobicContact CB-CB 3.97Å; E67-A101 WeakPolarHBondContact O-CB 3.38Å; E67-A101 PolarHBondContact O-N 3.16Å; Q70-A101 HydrophobicContact CB-CB 4.02Å; A101-C103 PolarHBondContact O-N 2.9Å
102	R	85.6	Confident	93.8	Very high	240 Å²	240	62.2 Å²	62.2	91%	0.906	29%	0.293	S	S	*	.			trans	-71.5	124.3	166.1	-64.6	-173.3	-154.2	167	6.4	108.2
103	C	90.7	Very high	93.9	Very high	16 Å²	16	62.2 Å²	62.2	11%	0.108	29%	0.294	C	S	.	.			trans	-104.6	112.5	176.6	-170.5	0	0	0	0	110.5	Q70 A101 F106	Q70-C103 HydrophobicContact CB-CB 4.17Å; Q70-C103 PolarHBondContact OE1-SG 3.1Å; A101-C103 PolarHBondContact O-N 2.9Å; C103-F106 HydrophobicContact CB-CB 4.09Å; C103-F106 VanDerWaalsContact SG-CB 3.53Å; C103-F106 PolarHBondContact SG-N 2.84Å
104	M	89.2	Confident	94	Very high	137 Å²	137	63.1 Å²	63.1	68%	0.675	30%	0.295	S	S	*	.	S	Bend	trans	-74.7	-42.3	172.4	-70	-91	-90.4	0	0	109.9	F106 R107	M104-F106 VanDerWaalsContact C-N 3.31Å; M104-F106 PolarHBondContact O-N 3.45Å; M104-R107 VanDerWaalsContact O-CB 3.26Å; M104-R107 WeakPolarHBondContact O-CB 3.48Å; M104-R107 PolarHBondContact O-N 3.06Å
105	D	92.5	Very high	94.1	Very high	42 Å²	42	61.7 Å²	61.7	23%	0.225	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.1	-40.7	-175.4	-59.3	-2.2	0	0	0	112.6	V73 R107 E108 Y110 G111	V73-D105 HydrophobicContact CG1-CB 4.13Å; D105-R107 PolarHBondContact O-N 3.36Å; D105-E108 WeakPolarHBondContact O-CB 3.46Å; D105-E108 PolarHBondContact O-N 3.15Å; D105-E108 VanDerWaalsContact O-O 3.05Å; D105-Y110 HydrophobicContact CB-CE2 4.13Å; D105-Y110 WeakPolarHBondContact CB-OH 3.38Å; D105-Y110 PolarHBondContact OD1-OH 2.91Å; D105-Y110 PolarHBondContact OD2-OH 3.39Å; D105-G111 WeakPolarHBondContact O-CA 3.27Å
106	F	94.6	Very high	94.3	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.057	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-68.5	-16.3	-178.9	-158.9	-99.2	0	0	0	113.7	Y69 L72 V73 C103 M104 E108 R112 A115 F142	Y69-F106 AromaticContact CD1-CD1 3.61Å; Y69-F106 HydrophobicContact CD1-CD1 3.61Å; Y69-F106 AromaticContact CD1-CD2 3.97Å; Y69-F106 HydrophobicContact CD1-CD2 3.97Å; Y69-F106 AromaticContact CD1-CE1 3.41Å; Y69-F106 HydrophobicContact CD1-CE1 3.41Å; Y69-F106 VanDerWaalsContact CD1-CE1 3.41Å; Y69-F106 AromaticContact CD1-CE2 3.78Å; Y69-F106 HydrophobicContact CD1-CE2 3.78Å; Y69-F106 AromaticContact CD1-CG 3.88Å; Y69-F106 HydrophobicContact CD1-CG 3.88Å; Y69-F106 AromaticContact CD1-CZ 3.49Å; Y69-F106 HydrophobicContact CD1-CZ 3.49Å; Y69-F106 VanDerWaalsContact CD1-CZ 3.49Å; Y69-F106 HydrophobicContact CD2-CD1 4.3Å; Y69-F106 AromaticContact CE1-CD1 3.97Å; Y69-F106 HydrophobicContact CE1-CD1 3.97Å; Y69-F106 AromaticContact CE1-CE1 3.35Å; Y69-F106 HydrophobicContact CE1-CE1 3.35Å; Y69-F106 HydrophobicContact CE1-CE2 4.24Å; Y69-F106 AromaticContact CE1-CZ 3.5Å; Y69-F106 HydrophobicContact CE1-CZ 3.5Å; Y69-F106 HydrophobicContact CG-CB 4.49Å; Y69-F106 AromaticContact CG-CD1 3.8Å; Y69-F106 HydrophobicContact CG-CD1 3.8Å; Y69-F106 HydrophobicContact CG-CD2 4.43Å; Y69-F106 HydrophobicContact CG-CE1 4.07Å; Y69-F106 AromaticContact CG-CG 4Å; Y69-F106 HydrophobicContact CG-CG 4Å; Y69-F106 HydrophobicContact CG-CZ 4.47Å; Y69-F106 AromaticContact CZ-CE1 3.94Å; L72-F106 HydrophobicContact CD2-CE2 4.06Å; L72-F106 HydrophobicContact CD2-CZ 4.47Å; V73-F106 HydrophobicContact CG2-CB 4.18Å; V73-F106 HydrophobicContact CG2-CD2 3.78Å; V73-F106 HydrophobicContact CG2-CG 4.49Å; C103-F106 HydrophobicContact CB-CB 4.09Å; C103-F106 VanDerWaalsContact SG-CB 3.53Å; C103-F106 PolarHBondContact SG-N 2.84Å; M104-F106 VanDerWaalsContact C-N 3.31Å; M104-F106 PolarHBondContact O-N 3.45Å; F106-E108 VanDerWaalsContact C-N 3.26Å; F106-R112 HydrophobicContact CD1-CG 4.23Å; F106-R112 HydrophobicContact CD2-CG 4.01Å; F106-R112 HydrophobicContact CE1-CG 4.18Å; F106-R112 HydrophobicContact CE2-CB 4.48Å; F106-R112 HydrophobicContact CE2-CG 3.96Å; F106-R112 HydrophobicContact CG-CG 4.15Å; F106-R112 HydrophobicContact CZ-CG 4.06Å; F106-R112 VanDerWaalsContact O-CG 3.31Å; F106-R112 WeakPolarHBondContact O-CG 3.34Å; F106-R112 PolarHBondContact O-NH1 3.39Å; F106-R112 VanDerWaalsContact O-NH1 3.14Å; F106-A115 HydrophobicContact CD2-CB 4.01Å; F106-A115 HydrophobicContact CE2-CB 3.54Å; F106-F142 HydrophobicContact CE1-CB 4.26Å; F106-F142 HydrophobicContact CE1-CG 4.43Å; F106-F142 HydrophobicContact CE2-CD2 4.15Å; F106-F142 HydrophobicContact CE2-CE2 4.15Å; F106-F142 HydrophobicContact CE2-CG 4.37Å; F106-F142 HydrophobicContact CE2-CZ 4.34Å; F106-F142 HydrophobicContact CZ-CB 3.89Å; F106-F142 AromaticContact CZ-CD1 3.92Å; F106-F142 HydrophobicContact CZ-CD1 3.92Å; F106-F142 AromaticContact CZ-CD2 3.73Å; F106-F142 HydrophobicContact CZ-CD2 3.73Å; F106-F142 HydrophobicContact CZ-CE1 4.31Å; F106-F142 HydrophobicContact CZ-CE2 4.15Å; F106-F142 AromaticContact CZ-CG 3.58Å; F106-F142 HydrophobicContact CZ-CG 3.58Å; F106-F142 HydrophobicContact CZ-CZ 4.41Å
107	R	90.7	Very high	94.3	Very high	190 Å²	190	61.2 Å²	61.2	72%	0.717	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-69.2	-30.3	170.3	-60.8	-175.8	171.7	-157.8	-4.8	111.5	M104 D105 R112	M104-R107 VanDerWaalsContact O-CB 3.26Å; M104-R107 WeakPolarHBondContact O-CB 3.48Å; M104-R107 PolarHBondContact O-N 3.06Å; D105-R107 PolarHBondContact O-N 3.36Å; R107-R112 VanDerWaalsContact C-NH1 3.29Å; R107-R112 PolarHBondContact O-NH1 2.74Å
108	E	94.4	Very high	94.4	Very high	117 Å²	117	58.2 Å²	58.2	55%	0.547	26%	0.262	S	S	.	.	S	Bend	trans	-89.7	150	176.7	-58.4	-57.2	148.2	0	0	110.9	D105 F106 Y110 G111 R112	D105-E108 WeakPolarHBondContact O-CB 3.46Å; D105-E108 PolarHBondContact O-N 3.15Å; D105-E108 VanDerWaalsContact O-O 3.05Å; F106-E108 VanDerWaalsContact C-N 3.26Å; E108-Y110 HydrophobicContact CB-CD1 3.4Å; E108-Y110 HydrophobicContact CB-CE1 3.53Å; E108-Y110 HydrophobicContact CG-CD1 4.21Å; E108-Y110 HydrophobicContact CG-CE1 3.93Å; E108-Y110 PolarHBondContact O-N 2.79Å; E108-G111 PolarHBondContact O-N 2.87Å; E108-R112 PolarHBondContact O-N 3.26Å; E108-R112 PolarHBondContact O-NH1 3.29Å
109	R	95.2	Very high	94.4	Very high	89 Å²	89	58.1 Å²	58.1	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-59.2	-35.1	-179.7	-172.5	177.6	174.8	104.6	-1.8	112.1	G111 R112 L113 S148 L149 E152	R109-G111 VanDerWaalsContact C-N 3.31Å; R109-G111 PolarHBondContact O-N 2.89Å; R109-R112 PolarHBondContact O-N 2.57Å; R109-L113 PolarHBondContact O-N 2.75Å; R109-S148 PolarHBondContact NH2-OG 3.47Å; R109-L149 HydrophobicContact CG-CD2 4.23Å; R109-E152 IonicContact CZ-OE2 3.91Å; R109-E152 IonicContact NE-OE2 3.96Å; R109-E152 PolarHBondContact NE-OE2 2.82Å; R109-E152 IonicContact NH2-OE2 2.87Å; R109-E152 PolarHBondContact NH2-OE2 3.01Å
110	Y	95.7	Very high	94.4	Very high	109 Å²	109	57.9 Å²	57.9	43%	0.427	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-36.7	-179.9	88.3	-93.8	0	0	0	112.6	D105 E108 L113 K114	D105-Y110 HydrophobicContact CB-CE2 4.13Å; D105-Y110 WeakPolarHBondContact CB-OH 3.38Å; D105-Y110 PolarHBondContact OD1-OH 2.91Å; D105-Y110 PolarHBondContact OD2-OH 3.39Å; E108-Y110 HydrophobicContact CB-CD1 3.4Å; E108-Y110 HydrophobicContact CB-CE1 3.53Å; E108-Y110 HydrophobicContact CG-CD1 4.21Å; E108-Y110 HydrophobicContact CG-CE1 3.93Å; E108-Y110 PolarHBondContact O-N 2.79Å; Y110-L113 WeakPolarHBondContact O-CB 3.25Å; Y110-L113 PolarHBondContact O-N 2.94Å; Y110-K114 PolarHBondContact O-N 3.09Å; Y110-K114 VanDerWaalsContact O-N 3.08Å
111	G	96.5	Very high	94.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-41.6	177.2	0	0	0	0	0	110.7	D105 E108 R109 L113 K114 A115	D105-G111 WeakPolarHBondContact O-CA 3.27Å; E108-G111 PolarHBondContact O-N 2.87Å; R109-G111 VanDerWaalsContact C-N 3.31Å; R109-G111 PolarHBondContact O-N 2.89Å; G111-L113 VanDerWaalsContact C-N 3.3Å; G111-L113 PolarHBondContact O-N 2.81Å; G111-K114 PolarHBondContact O-N 3.44Å; G111-A115 WeakPolarHBondContact O-CB 3.25Å; G111-A115 PolarHBondContact O-N 2.81Å
112	R	97.3	Very high	94.8	Very high	20 Å²	20	63.1 Å²	63.1	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-38.1	173.1	-63.2	-167.3	-64.7	-85.8	11.5	112.2	F106 R107 E108 R109 A115 A116 F142 E145 L149	F106-R112 HydrophobicContact CD1-CG 4.23Å; F106-R112 HydrophobicContact CD2-CG 4.01Å; F106-R112 HydrophobicContact CE1-CG 4.18Å; F106-R112 HydrophobicContact CE2-CB 4.48Å; F106-R112 HydrophobicContact CE2-CG 3.96Å; F106-R112 HydrophobicContact CG-CG 4.15Å; F106-R112 HydrophobicContact CZ-CG 4.06Å; F106-R112 VanDerWaalsContact O-CG 3.31Å; F106-R112 WeakPolarHBondContact O-CG 3.34Å; F106-R112 PolarHBondContact O-NH1 3.39Å; F106-R112 VanDerWaalsContact O-NH1 3.14Å; R107-R112 VanDerWaalsContact C-NH1 3.29Å; R107-R112 PolarHBondContact O-NH1 2.74Å; E108-R112 PolarHBondContact O-N 3.26Å; E108-R112 PolarHBondContact O-NH1 3.29Å; R109-R112 PolarHBondContact O-N 2.57Å; R112-A115 WeakPolarHBondContact O-CB 3.31Å; R112-A115 PolarHBondContact O-N 3.09Å; R112-A116 PolarHBondContact O-N 3.27Å; R112-F142 HydrophobicContact CB-CD2 3.99Å; R112-F142 HydrophobicContact CB-CE2 4.08Å; R112-F142 HydrophobicContact CG-CD2 4.21Å; R112-F142 WeakPolarHBondContact O-CE2 3.22Å; R112-E145 IonicContact CZ-OE1 2.87Å; R112-E145 IonicContact CZ-OE2 3.08Å; R112-E145 VanDerWaalsContact CZ-OE2 3.28Å; R112-E145 IonicContact NE-OE1 2.98Å; R112-E145 IonicContact NE-OE2 3.79Å; R112-E145 PolarHBondContact NE-OE2 3.39Å; R112-E145 IonicContact NH2-OE1 3.6Å; R112-E145 PolarHBondContact NH2-OE1 2.69Å; R112-E145 IonicContact NH2-OE2 2.81Å; R112-E145 PolarHBondContact NH2-OE2 2.96Å; R112-L149 HydrophobicContact CB-CD1 4.08Å; R112-L149 HydrophobicContact CB-CD2 4.35Å
113	L	97.2	Very high	95.2	Very high	27 Å²	27	56.5 Å²	56.5	14%	0.141	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-47.9	175	-162.5	80.7	0	0	0	111.7	R109 Y110 G111 A115 A116 E117 L149 E152 L153	R109-L113 PolarHBondContact O-N 2.75Å; Y110-L113 WeakPolarHBondContact O-CB 3.25Å; Y110-L113 PolarHBondContact O-N 2.94Å; G111-L113 VanDerWaalsContact C-N 3.3Å; G111-L113 PolarHBondContact O-N 2.81Å; L113-A115 PolarHBondContact O-N 3.12Å; L113-A116 PolarHBondContact O-N 2.61Å; L113-E117 PolarHBondContact O-N 2.92Å; L113-L149 HydrophobicContact CB-CD2 4.33Å; L113-L149 HydrophobicContact CD1-CB 4.28Å; L113-L149 HydrophobicContact CD1-CD2 3.87Å; L113-E152 HydrophobicContact CD1-CB 3.83Å; L113-E152 HydrophobicContact CD1-CG 3.82Å; L113-E152 HydrophobicContact CD2-CG 4.35Å; L113-L153 HydrophobicContact CD1-CD2 4.17Å; L113-L153 HydrophobicContact CD1-CG 3.86Å; L113-L153 HydrophobicContact CD2-CD2 4.26Å; L113-L153 HydrophobicContact CG-CD2 3.8Å; L113-L153 HydrophobicContact CG-CG 4.04Å
114	K	97.3	Very high	95.5	Very high	100 Å²	100	55.8 Å²	55.8	44%	0.435	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-43.2	174.7	-77.1	-177.1	175.9	-179.1	0	112.4	V73 Y110 G111 A116 E117 N118	V73-K114 HydrophobicContact CG1-CB 4.16Å; V73-K114 HydrophobicContact CG1-CD 4Å; Y110-K114 PolarHBondContact O-N 3.09Å; Y110-K114 VanDerWaalsContact O-N 3.08Å; G111-K114 PolarHBondContact O-N 3.44Å; K114-A116 PolarHBondContact O-N 2.83Å; K114-E117 WeakPolarHBondContact O-CB 3.23Å; K114-E117 PolarHBondContact O-N 3.22Å; K114-N118 VanDerWaalsContact O-CG 3.31Å; K114-N118 PolarHBondContact O-N 3.4Å; K114-N118 PolarHBondContact O-ND2 3.19Å
115	A	97.6	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-44.5	176.3	0	0	0	0	0	112.3	L72 V73 F106 G111 R112 L113 N118 L119 F142	L72-A115 HydrophobicContact CD2-CB 3.93Å; L72-A115 HydrophobicContact CG-CB 3.67Å; V73-A115 HydrophobicContact CG2-CB 4.39Å; F106-A115 HydrophobicContact CD2-CB 4.01Å; F106-A115 HydrophobicContact CE2-CB 3.54Å; G111-A115 WeakPolarHBondContact O-CB 3.25Å; G111-A115 PolarHBondContact O-N 2.81Å; R112-A115 WeakPolarHBondContact O-CB 3.31Å; R112-A115 PolarHBondContact O-N 3.09Å; L113-A115 PolarHBondContact O-N 3.12Å; A115-N118 PolarHBondContact O-N 2.76Å; A115-L119 WeakPolarHBondContact O-CG 3.42Å; A115-L119 PolarHBondContact O-N 3.14Å; A115-F142 HydrophobicContact CB-CE2 4.18Å; A115-F142 HydrophobicContact CB-CZ 3.86Å
116	A	97.6	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-42.6	176	0	0	0	0	0	111.7	R112 L113 K114 N118 L119 V120 F142 W146 L149 L153	R112-A116 PolarHBondContact O-N 3.27Å; L113-A116 PolarHBondContact O-N 2.61Å; K114-A116 PolarHBondContact O-N 2.83Å; A116-N118 VanDerWaalsContact C-N 3.32Å; A116-N118 PolarHBondContact O-N 3.45Å; A116-L119 PolarHBondContact O-N 2.92Å; A116-V120 WeakPolarHBondContact O-CG2 3.41Å; A116-V120 PolarHBondContact O-N 2.84Å; A116-F142 HydrophobicContact CB-CE2 4.22Å; A116-F142 HydrophobicContact CB-CZ 4.22Å; A116-W146 HydrophobicContact CB-CE3 4.12Å; A116-W146 HydrophobicContact CB-CH2 3.98Å; A116-W146 HydrophobicContact CB-CZ3 3.5Å; A116-W146 VanDerWaalsContact CB-CZ3 3.5Å; A116-L149 HydrophobicContact CB-CB 4.18Å; A116-L149 HydrophobicContact CB-CD1 4.29Å; A116-L153 HydrophobicContact CB-CD1 3.88Å
117	E	97.2	Very high	96	Very high	25 Å²	25	47.4 Å²	47.4	12%	0.117	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-46	174	-170.5	-174.5	159.1	0	0	111.5	L113 K114 V120 K121 L153 K158 I159	L113-E117 PolarHBondContact O-N 2.92Å; K114-E117 WeakPolarHBondContact O-CB 3.23Å; K114-E117 PolarHBondContact O-N 3.22Å; E117-V120 PolarHBondContact O-N 3.37Å; E117-K121 HydrophobicContact CG-CD 4.15Å; E117-K121 WeakPolarHBondContact O-CB 3.5Å; E117-K121 VanDerWaalsContact O-CG 3.28Å; E117-K121 WeakPolarHBondContact O-CG 3.36Å; E117-K121 PolarHBondContact O-N 2.73Å; E117-K121 VanDerWaalsContact OE1-CE 3.3Å; E117-K121 WeakPolarHBondContact OE1-CE 3.33Å; E117-K121 IonicContact OE1-NZ 3.38Å; E117-K121 PolarHBondContact OE1-NZ 3.12Å; E117-L153 HydrophobicContact CB-CD1 4.19Å; E117-L153 HydrophobicContact CB-CD2 3.87Å; E117-L153 HydrophobicContact CG-CD2 4.26Å; E117-K158 HydrophobicContact CG-CB 4.42Å; E117-I159 HydrophobicContact CG-CG2 4.45Å
118	N	97.6	Very high	96.4	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.112	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-39.6	-179.2	-70.6	-29.8	0	0	0	112.9	L72 V73 G75 I79 K114 A115 A116 N122	L72-N118 PolarHBondContact O-ND2 2.56Å; V73-N118 PolarHBondContact O-ND2 3.27Å; G75-N118 VanDerWaalsContact CA-ND2 3.31Å; G75-N118 WeakPolarHBondContact CA-ND2 3.26Å; G75-N118 PolarHBondContact N-ND2 2.79Å; I79-N118 HydrophobicContact CD1-CB 3.83Å; K114-N118 VanDerWaalsContact O-CG 3.31Å; K114-N118 PolarHBondContact O-N 3.4Å; K114-N118 PolarHBondContact O-ND2 3.19Å; A115-N118 PolarHBondContact O-N 2.76Å; A116-N118 VanDerWaalsContact C-N 3.32Å; A116-N118 PolarHBondContact O-N 3.45Å; N118-N122 PolarHBondContact O-N 3.5Å; N118-N122 PolarHBondContact O-ND2 3.26Å
119	L	97.3	Very high	96.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-47.5	175.5	-72.9	177.6	0	0	0	111.3	L72 A115 A116 K121 N122 Q123 I124 F142 W146 L170	L72-L119 HydrophobicContact CD1-CD1 4.29Å; L72-L119 HydrophobicContact CD1-CD2 3.68Å; L72-L119 HydrophobicContact CD1-CG 3.79Å; A115-L119 WeakPolarHBondContact O-CG 3.42Å; A115-L119 PolarHBondContact O-N 3.14Å; A116-L119 PolarHBondContact O-N 2.92Å; L119-K121 VanDerWaalsContact C-N 3.35Å; L119-K121 PolarHBondContact O-N 2.89Å; L119-N122 CarbonylContact O-C 3.16Å; L119-N122 PolarHBondContact O-N 2.89Å; L119-N122 VanDerWaalsContact O-N 3.13Å; L119-Q123 PolarHBondContact O-N 2.53Å; L119-I124 HydrophobicContact CB-CB 4.43Å; L119-I124 HydrophobicContact CD2-CB 3.78Å; L119-I124 HydrophobicContact CD2-CD1 4Å; L119-I124 HydrophobicContact CD2-CG2 3.67Å; L119-I124 PolarHBondContact O-N 2.9Å; L119-F142 HydrophobicContact CD1-CE1 3.69Å; L119-F142 HydrophobicContact CD1-CZ 4.03Å; L119-W146 HydrophobicContact CB-CH2 3.95Å; L119-W146 HydrophobicContact CD1-CH2 3.91Å; L119-W146 HydrophobicContact CD1-CZ3 3.96Å; L119-L170 HydrophobicContact CD1-CD1 4.1Å
120	V	96	Very high	96.7	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.042	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-43.2	178.4	170	0	0	0	0	111.4	A116 E117 N122 Q123 W146 L150 I159 F167	A116-V120 WeakPolarHBondContact O-CG2 3.41Å; A116-V120 PolarHBondContact O-N 2.84Å; E117-V120 PolarHBondContact O-N 3.37Å; V120-N122 PolarHBondContact O-N 3.26Å; V120-Q123 PolarHBondContact O-N 2.93Å; V120-W146 HydrophobicContact CG2-CH2 4.35Å; V120-W146 HydrophobicContact CG2-CZ2 4.12Å; V120-L150 HydrophobicContact CG2-CD2 3.68Å; V120-I159 HydrophobicContact CB-CG2 4.41Å; V120-I159 HydrophobicContact CG1-CB 4.35Å; V120-I159 HydrophobicContact CG1-CD1 4.41Å; V120-I159 HydrophobicContact CG1-CG2 3.92Å; V120-F167 HydrophobicContact CG1-CD2 3.89Å; V120-F167 HydrophobicContact CG2-CB 4.3Å
121	K	94.7	Very high	96.7	Very high	124 Å²	124	23.3 Å²	23.3	54%	0.539	11%	0.109	S	C	.	.	H	α-helix	trans	-59.9	-33.3	176.5	-79.6	173.2	169.9	176	0	113.3	E117 L119	E117-K121 HydrophobicContact CG-CD 4.15Å; E117-K121 WeakPolarHBondContact O-CB 3.5Å; E117-K121 VanDerWaalsContact O-CG 3.28Å; E117-K121 WeakPolarHBondContact O-CG 3.36Å; E117-K121 PolarHBondContact O-N 2.73Å; E117-K121 VanDerWaalsContact OE1-CE 3.3Å; E117-K121 WeakPolarHBondContact OE1-CE 3.33Å; E117-K121 IonicContact OE1-NZ 3.38Å; E117-K121 PolarHBondContact OE1-NZ 3.12Å; L119-K121 VanDerWaalsContact C-N 3.35Å; L119-K121 PolarHBondContact O-N 2.89Å
122	N	95	Very high	96.5	Very high	49 Å²	49	23.8 Å²	23.8	26%	0.262	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.7	176.9	-70.7	-76.7	0	0	0	113.2	I79 N118 L119 V120 I124	I79-N122 HydrophobicContact CG2-CB 4.47Å; N118-N122 PolarHBondContact O-N 3.5Å; N118-N122 PolarHBondContact O-ND2 3.26Å; L119-N122 CarbonylContact O-C 3.16Å; L119-N122 PolarHBondContact O-N 2.89Å; L119-N122 VanDerWaalsContact O-N 3.13Å; V120-N122 PolarHBondContact O-N 3.26Å; N122-I124 HydrophobicContact CB-CD1 3.57Å; N122-I124 HydrophobicContact CB-CG1 3.92Å; N122-I124 PolarHBondContact O-N 2.92Å
123	Q	95	Very high	96	Very high	101 Å²	101	25.2 Å²	25.2	47%	0.472	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	27.7	-179.4	-48.4	176.2	1.8	0	0	113.4	C31 L119 V120 F167	C31-Q123 VanDerWaalsContact CB-O 3.25Å; C31-Q123 WeakPolarHBondContact CB-O 3.44Å; L119-Q123 PolarHBondContact O-N 2.53Å; V120-Q123 PolarHBondContact O-N 2.93Å; Q123-F167 HydrophobicContact CB-CE1 3.79Å; Q123-F167 HydrophobicContact CB-CZ 3.67Å; Q123-F167 HydrophobicContact CG-CE1 4.31Å; Q123-F167 HydrophobicContact CG-CE2 4.37Å; Q123-F167 HydrophobicContact CG-CZ 3.67Å
124	I	96.2	Very high	95.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.			trans	-90.3	117	-177.9	-60.7	160.6	0	0	0	109.5	C31 A33 F63 I79 L119 N122	C31-I124 HydrophobicContact CB-CG1 4.43Å; A33-I124 HydrophobicContact CB-CD1 4.04Å; A33-I124 HydrophobicContact CB-CG2 3.63Å; F63-I124 HydrophobicContact CB-CD1 4.13Å; F63-I124 HydrophobicContact CD1-CD1 4.45Å; F63-I124 HydrophobicContact CD2-CD1 4.13Å; F63-I124 HydrophobicContact CD2-CG1 4.02Å; F63-I124 HydrophobicContact CE2-CG1 4.33Å; F63-I124 HydrophobicContact CG-CD1 3.99Å; F63-I124 HydrophobicContact CG-CG1 4.4Å; I79-I124 HydrophobicContact CG2-CD1 3.83Å; L119-I124 HydrophobicContact CB-CB 4.43Å; L119-I124 HydrophobicContact CD2-CB 3.78Å; L119-I124 HydrophobicContact CD2-CD1 4Å; L119-I124 HydrophobicContact CD2-CG2 3.67Å; L119-I124 PolarHBondContact O-N 2.9Å; N122-I124 HydrophobicContact CB-CD1 3.57Å; N122-I124 HydrophobicContact CB-CG1 3.92Å; N122-I124 PolarHBondContact O-N 2.92Å
125	T	93.8	Very high	95.4	Very high	16 Å²	16	21.7 Å²	21.7	10%	0.098	12%	0.121	C	C	.	.			trans	-113.6	-10.7	175.3	47.8	0	0	0	0	113.4	F167 L170 N171	T125-F167 HydrophobicContact CG2-CB 4.01Å; T125-F167 HydrophobicContact CG2-CD1 3.55Å; T125-F167 HydrophobicContact CG2-CG 4.24Å; T125-L170 WeakPolarHBondContact O-CA 3.3Å; T125-N171 PolarHBondContact O-N 3.11Å
126	N	96.8	Very high	95.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.6	-177.9	-58.7	-76	0	0	0	109.9	C31 I32 A33 N171 L338 M339	C31-N126 WeakPolarHBondContact O-CB 3.35Å; C31-N126 PolarHBondContact O-N 3.39Å; C31-N126 PolarHBondContact O-ND2 2.89Å; I32-N126 CarbonylContact C-O 3.56Å; I32-N126 WeakPolarHBondContact CA-O 3.48Å; I32-N126 HydrophobicContact CB-CB 4.48Å; I32-N126 HydrophobicContact CG1-CB 4Å; A33-N126 PolarHBondContact N-O 3.29Å; N126-N171 WeakPolarHBondContact OD1-CB 3.16Å; N126-N171 PolarHBondContact OD1-ND2 3.47Å; N126-L338 HydrophobicContact CB-CB 4.31Å; N126-L338 HydrophobicContact CB-CD1 4.05Å; N126-L338 HydrophobicContact CB-CD2 4.08Å; N126-L338 HydrophobicContact CB-CG 4.38Å; N126-M339 HydrophobicContact CB-CE 4.38Å
127	L	97.8	Very high	94.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.6	-174.5	-177.6	66.4	0	0	0	111.6	A33 L35 I65 V129 L170 N171 I172 V173	A33-L127 HydrophobicContact CB-CD1 3.94Å; L35-L127 HydrophobicContact CD2-CD1 4.17Å; L35-L127 HydrophobicContact CD2-CD2 4.45Å; I65-L127 HydrophobicContact CD1-CD1 3.5Å; I65-L127 VanDerWaalsContact CD1-CD1 3.5Å; L127-V129 HydrophobicContact CD2-CG2 3.89Å; L127-V129 HydrophobicContact CG-CG2 3.92Å; L127-L170 HydrophobicContact CB-CD1 4.34Å; L127-N171 PolarHBondContact N-O 3.11Å; L127-I172 HydrophobicContact CB-CG1 4.32Å; L127-I172 HydrophobicContact CD2-CD1 4.35Å; L127-I172 WeakPolarHBondContact O-CA 3.31Å; L127-V173 PolarHBondContact O-N 3.39Å
128	V	98.4	Very high	94.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.5	167.8	-175.2	0	0	0	0	109.2	I32 A33 V34 L35 V51 I130 V173 L175 A334 L338	I32-V128 HydrophobicContact CG2-CG2 4.21Å; A33-V128 PolarHBondContact O-N 3.28Å; V34-V128 WeakPolarHBondContact CA-O 3.43Å; V34-V128 HydrophobicContact CB-CB 4.36Å; V34-V128 HydrophobicContact CG2-CB 4.18Å; V34-V128 HydrophobicContact CG2-CG1 4.33Å; L35-V128 PolarHBondContact N-O 2.91Å; V51-V128 HydrophobicContact CG1-CB 4.37Å; V51-V128 HydrophobicContact CG1-CG2 3.89Å; V51-V128 HydrophobicContact CG2-CB 4.37Å; V51-V128 HydrophobicContact CG2-CG1 3.96Å; V51-V128 HydrophobicContact CG2-CG2 4.18Å; V128-I130 HydrophobicContact CG1-CG1 4.17Å; V128-V173 WeakPolarHBondContact CA-O 3.47Å; V128-L175 HydrophobicContact CG1-CD1 4.06Å; V128-L175 HydrophobicContact CG1-CG 4.11Å; V128-A334 HydrophobicContact CG1-CB 4.21Å; V128-A334 HydrophobicContact CG2-CB 4.25Å; V128-L338 HydrophobicContact CG2-CD1 3.37Å
129	V	98	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.9	176.2	179.4	0	0	0	0	109.3	L35 L127 L136 A139 I172 V173 G174 L175	L35-V129 HydrophobicContact CD1-CG1 3.93Å; L35-V129 HydrophobicContact CD1-CG2 4.48Å; L35-V129 HydrophobicContact CD2-CG2 4.35Å; L35-V129 HydrophobicContact CG-CG2 4.24Å; L127-V129 HydrophobicContact CD2-CG2 3.89Å; L127-V129 HydrophobicContact CG-CG2 3.92Å; V129-L136 HydrophobicContact CB-CD2 4.31Å; V129-L136 HydrophobicContact CG1-CD2 4.12Å; V129-A139 HydrophobicContact CB-CB 4.23Å; V129-A139 HydrophobicContact CG1-CB 4.32Å; V129-A139 HydrophobicContact CG2-CB 3.85Å; V129-I172 HydrophobicContact CG2-CG2 4.34Å; V129-V173 PolarHBondContact N-O 2.98Å; V129-G174 CarbonylContact O-C 3.56Å; V129-G174 WeakPolarHBondContact O-CA 3.48Å; V129-L175 PolarHBondContact O-N 3.29Å
130	I	97.9	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.2	176.1	-51.8	171.7	0	0	0	108.5	V34 L35 T36 S37 M44 A47 V48 V128 L175	V34-I130 HydrophobicContact CG2-CD1 3.66Å; V34-I130 HydrophobicContact CG2-CG1 4.24Å; L35-I130 PolarHBondContact O-N 2.81Å; T36-I130 CarbonylContact C-O 3.09Å; T36-I130 VanDerWaalsContact CA-O 3.27Å; T36-I130 WeakPolarHBondContact CA-O 3.33Å; T36-I130 HydrophobicContact CG2-CB 3.87Å; T36-I130 HydrophobicContact CG2-CD1 4.18Å; T36-I130 HydrophobicContact CG2-CG2 4.17Å; S37-I130 PolarHBondContact N-O 3.41Å; M44-I130 HydrophobicContact CG-CG2 3.97Å; A47-I130 HydrophobicContact CB-CD1 3.77Å; V48-I130 HydrophobicContact CG2-CD1 3.63Å; V128-I130 HydrophobicContact CG1-CG1 4.17Å; I130-L175 WeakPolarHBondContact CA-O 3.34Å; I130-L175 HydrophobicContact CB-CB 4.43Å; I130-L175 HydrophobicContact CD1-CD1 4.36Å; I130-L175 HydrophobicContact CG1-CB 4.06Å; I130-L175 HydrophobicContact CG1-CD1 4.02Å; I130-L175 HydrophobicContact CG1-CG 4.36Å; I130-L175 HydrophobicContact CG2-CB 4.33Å
131	G	95.2	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-171.2	179	0	0	0	0	0	114.6	S37 L175 V176 G177	S37-G131 WeakPolarHBondContact O-CA 3.35Å; G131-L175 PolarHBondContact N-O 3.02Å; G131-V176 WeakPolarHBondContact O-CA 3.5Å; G131-G177 CarbonylContact C-O 3.5Å; G131-G177 VanDerWaalsContact C-O 3.3Å; G131-G177 PolarHBondContact O-N 3.37Å
132	G	92.3	Very high	93.8	Very high	10 Å²	10	21.4 Å²	21.4	10%	0.103	13%	0.131	C	C	.	.			trans	-78.5	-174.6	175.8	0	0	0	0	0	113.9	G134 S135 L136 G177	G132-G134 VanDerWaalsContact C-N 3.34Å; G132-G134 PolarHBondContact O-N 3.23Å; G132-S135 WeakPolarHBondContact O-CB 3.24Å; G132-S135 PolarHBondContact O-N 3Å; G132-S135 VanDerWaalsContact O-N 3.09Å; G132-L136 PolarHBondContact O-N 2.88Å; G132-G177 PolarHBondContact N-O 2.84Å
133	D	87.2	Confident	93.6	Very high	49 Å²	49	21.9 Å²	21.9	26%	0.262	13%	0.129	S	C	.	.	H	α-helix	trans	-47	-48.5	178.3	71	-46.7	0	0	0	114.4	S135 L136 T137 F183 R224 T371	D133-S135 VanDerWaalsContact C-N 3.34Å; D133-S135 PolarHBondContact O-N 2.8Å; D133-L136 PolarHBondContact O-N 3.46Å; D133-T137 WeakPolarHBondContact O-CB 3.2Å; D133-T137 PolarHBondContact O-N 2.92Å; D133-T137 PolarHBondContact O-OG1 3.29Å; D133-F183 HydrophobicContact CB-CD2 4.08Å; D133-R224 IonicContact OD1-CZ 3.98Å; D133-R224 IonicContact OD1-NH1 2.7Å; D133-R224 PolarHBondContact OD1-NH1 3.42Å; D133-R224 IonicContact OD2-NH1 3.37Å; D133-T371 HydrophobicContact CB-CG2 4.34Å
134	G	87.6	Confident	93.5	Very high	46 Å²	46	20.8 Å²	20.8	47%	0.474	14%	0.137	S	C	.	.	H	α-helix	trans	-65.7	-37.4	-178.3	0	0	0	0	0	112.4	G132 G138	G132-G134 VanDerWaalsContact C-N 3.34Å; G132-G134 PolarHBondContact O-N 3.23Å; G134-G138 PolarHBondContact O-N 3.17Å
135	S	93.4	Very high	93.4	Very high	8 Å²	8	22.5 Å²	22.5	6%	0.056	15%	0.145	C	C	.	.	H	α-helix	trans	-66.6	-43.4	178.9	-62.9	0	0	0	0	111.4	S37 Y69 G132 D133 G138 A139	S37-S135 VanDerWaalsContact CB-OG 3.27Å; S37-S135 WeakPolarHBondContact CB-OG 3.29Å; S37-S135 PolarHBondContact O-OG 3.5Å; S37-S135 PolarHBondContact OG-OG 3.22Å; Y69-S135 PolarHBondContact OH-O 3.27Å; G132-S135 WeakPolarHBondContact O-CB 3.24Å; G132-S135 PolarHBondContact O-N 3Å; G132-S135 VanDerWaalsContact O-N 3.09Å; D133-S135 VanDerWaalsContact C-N 3.34Å; D133-S135 PolarHBondContact O-N 2.8Å; S135-G138 PolarHBondContact O-N 3.15Å; S135-A139 PolarHBondContact O-N 3.06Å
136	L	92.5	Very high	93.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-71.7	-35.1	179.1	-64.5	-174.5	0	0	0	112.4	V129 G132 D133 A139 N140 G174 V176 F183 V351 L364	V129-L136 HydrophobicContact CB-CD2 4.31Å; V129-L136 HydrophobicContact CG1-CD2 4.12Å; G132-L136 PolarHBondContact O-N 2.88Å; D133-L136 PolarHBondContact O-N 3.46Å; L136-A139 WeakPolarHBondContact O-CB 3.11Å; L136-A139 PolarHBondContact O-N 3.27Å; L136-N140 PolarHBondContact O-N 2.89Å; L136-G174 VanDerWaalsContact CD2-CA 3.47Å; L136-V176 HydrophobicContact CD1-CG2 3.8Å; L136-F183 HydrophobicContact CB-CE2 4.22Å; L136-F183 HydrophobicContact CB-CZ 4.4Å; L136-F183 HydrophobicContact CD1-CD2 4.31Å; L136-F183 HydrophobicContact CD1-CE1 4.07Å; L136-F183 HydrophobicContact CD1-CE2 3.75Å; L136-F183 HydrophobicContact CD1-CZ 3.6Å; L136-V351 HydrophobicContact CD1-CG2 4.2Å; L136-L364 HydrophobicContact CB-CD1 3.93Å
137	T	88.7	Confident	93.3	Very high	36 Å²	36	25.3 Å²	25.3	22%	0.221	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-46.2	170.9	-59.1	0	0	0	0	111.3	D133 A139 N140 L141 V368	D133-T137 WeakPolarHBondContact O-CB 3.2Å; D133-T137 PolarHBondContact O-N 2.92Å; D133-T137 PolarHBondContact O-OG1 3.29Å; T137-A139 VanDerWaalsContact C-N 3.3Å; T137-A139 PolarHBondContact O-N 2.87Å; T137-N140 PolarHBondContact O-N 2.89Å; T137-L141 PolarHBondContact O-N 3.32Å; T137-L141 VanDerWaalsContact O-N 3.11Å; T137-V368 HydrophobicContact CG2-CG1 4.15Å; T137-V368 WeakPolarHBondContact OG1-CG1 3.47Å
138	G	91.9	Very high	93.3	Very high	18 Å²	18	27.6 Å²	27.6	19%	0.186	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-38.3	175.8	0	0	0	0	0	112.5	G134 S135 L141 F142	G134-G138 PolarHBondContact O-N 3.17Å; S135-G138 PolarHBondContact O-N 3.15Å; G138-L141 PolarHBondContact O-N 2.89Å; G138-F142 WeakPolarHBondContact O-CB 3.5Å; G138-F142 PolarHBondContact O-N 3.43Å
139	A	93.6	Very high	93.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-46	177	0	0	0	0	0	111.2	Y69 V129 S135 L136 T137 L141 F142 R143 I172	Y69-A139 WeakPolarHBondContact OH-CA 3.48Å; Y69-A139 WeakPolarHBondContact OH-CB 3.5Å; Y69-A139 PolarHBondContact OH-N 2.63Å; Y69-A139 VanDerWaalsContact OH-N 3.12Å; V129-A139 HydrophobicContact CB-CB 4.23Å; V129-A139 HydrophobicContact CG1-CB 4.32Å; V129-A139 HydrophobicContact CG2-CB 3.85Å; S135-A139 PolarHBondContact O-N 3.06Å; L136-A139 WeakPolarHBondContact O-CB 3.11Å; L136-A139 PolarHBondContact O-N 3.27Å; T137-A139 VanDerWaalsContact C-N 3.3Å; T137-A139 PolarHBondContact O-N 2.87Å; A139-L141 PolarHBondContact O-N 2.82Å; A139-F142 PolarHBondContact O-N 3.26Å; A139-R143 PolarHBondContact O-N 2.87Å; A139-I172 HydrophobicContact CB-CD1 4.19Å; A139-I172 HydrophobicContact CB-CG2 3.92Å; A139-I172 WeakPolarHBondContact O-CD1 3.4Å
140	N	90.4	Very high	93.1	Very high	40 Å²	40	28 Å²	28	21%	0.214	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-46.5	177.4	-173.8	59.7	0	0	0	112.2	L136 T137 F142 R143 A144 L364 V365	L136-N140 PolarHBondContact O-N 2.89Å; T137-N140 PolarHBondContact O-N 2.89Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 PolarHBondContact O-N 3.49Å; N140-R143 PolarHBondContact O-N 2.9Å; N140-A144 WeakPolarHBondContact O-CB 3.1Å; N140-A144 PolarHBondContact O-N 2.83Å; N140-L364 HydrophobicContact CB-CD2 3.72Å; N140-L364 HydrophobicContact CB-CG 4.13Å; N140-V365 WeakPolarHBondContact OD1-CG2 2.94Å
141	L	92.1	Very high	93	Very high	76 Å²	76	34.1 Å²	34.1	40%	0.398	21%	0.212	S	C	.	.	H	α-helix	trans	-60.5	-43.7	176.8	-179.6	63.4	0	0	0	111.2	T137 G138 A139 R143 A144 E145	T137-L141 PolarHBondContact O-N 3.32Å; T137-L141 VanDerWaalsContact O-N 3.11Å; G138-L141 PolarHBondContact O-N 2.89Å; A139-L141 PolarHBondContact O-N 2.82Å; L141-R143 PolarHBondContact O-N 2.83Å; L141-A144 PolarHBondContact O-N 3.34Å; L141-E145 HydrophobicContact CD1-CG 4.11Å; L141-E145 WeakPolarHBondContact CD1-OE1 3.25Å; L141-E145 HydrophobicContact CG-CG 4.45Å; L141-E145 WeakPolarHBondContact O-CG 3.39Å; L141-E145 PolarHBondContact O-N 2.96Å
142	F	95.4	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-41.4	-179.2	-174.2	-130.5	0	0	0	112.8	L72 F106 R112 A115 A116 L119 G138 A139 N140 W146 L149 L170 I172	L72-F142 HydrophobicContact CD2-CE1 4.27Å; F106-F142 HydrophobicContact CE1-CB 4.26Å; F106-F142 HydrophobicContact CE1-CG 4.43Å; F106-F142 HydrophobicContact CE2-CD2 4.15Å; F106-F142 HydrophobicContact CE2-CE2 4.15Å; F106-F142 HydrophobicContact CE2-CG 4.37Å; F106-F142 HydrophobicContact CE2-CZ 4.34Å; F106-F142 HydrophobicContact CZ-CB 3.89Å; F106-F142 AromaticContact CZ-CD1 3.92Å; F106-F142 HydrophobicContact CZ-CD1 3.92Å; F106-F142 AromaticContact CZ-CD2 3.73Å; F106-F142 HydrophobicContact CZ-CD2 3.73Å; F106-F142 HydrophobicContact CZ-CE1 4.31Å; F106-F142 HydrophobicContact CZ-CE2 4.15Å; F106-F142 AromaticContact CZ-CG 3.58Å; F106-F142 HydrophobicContact CZ-CG 3.58Å; F106-F142 HydrophobicContact CZ-CZ 4.41Å; R112-F142 HydrophobicContact CB-CD2 3.99Å; R112-F142 HydrophobicContact CB-CE2 4.08Å; R112-F142 HydrophobicContact CG-CD2 4.21Å; R112-F142 WeakPolarHBondContact O-CE2 3.22Å; A115-F142 HydrophobicContact CB-CE2 4.18Å; A115-F142 HydrophobicContact CB-CZ 3.86Å; A116-F142 HydrophobicContact CB-CE2 4.22Å; A116-F142 HydrophobicContact CB-CZ 4.22Å; L119-F142 HydrophobicContact CD1-CE1 3.69Å; L119-F142 HydrophobicContact CD1-CZ 4.03Å; G138-F142 WeakPolarHBondContact O-CB 3.5Å; G138-F142 PolarHBondContact O-N 3.43Å; A139-F142 PolarHBondContact O-N 3.26Å; N140-F142 VanDerWaalsContact C-N 3.31Å; N140-F142 PolarHBondContact O-N 3.49Å; F142-W146 HydrophobicContact CE1-CE3 4.3Å; F142-W146 AromaticContact CE1-CZ3 3.91Å; F142-W146 HydrophobicContact CE1-CZ3 3.91Å; F142-W146 HydrophobicContact CE2-CE3 4.29Å; F142-W146 HydrophobicContact CE2-CZ3 4.16Å; F142-W146 HydrophobicContact CZ-CE3 4.04Å; F142-W146 AromaticContact CZ-CZ3 3.55Å; F142-W146 HydrophobicContact CZ-CZ3 3.55Å; F142-W146 PolarHBondContact O-N 2.99Å; F142-W146 VanDerWaalsContact O-N 3.16Å; F142-L149 HydrophobicContact CD2-CD1 3.83Å; F142-L149 HydrophobicContact CE2-CD1 3.69Å; F142-L170 HydrophobicContact CD1-CD2 3.6Å; F142-L170 HydrophobicContact CE1-CD2 3.66Å; F142-L170 HydrophobicContact CG-CD2 4.48Å; F142-I172 HydrophobicContact CD1-CD1 4.48Å
143	R	92.6	Very high	93.2	Very high	59 Å²	59	37.1 Å²	37.1	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-43.7	172.6	-179.8	175.7	-174.8	-123.6	13.1	112.3	A139 N140 L141 E145 W146 L170 I172 L347 S349	A139-R143 PolarHBondContact O-N 2.87Å; N140-R143 PolarHBondContact O-N 2.9Å; L141-R143 PolarHBondContact O-N 2.83Å; R143-E145 VanDerWaalsContact C-N 3.29Å; R143-E145 PolarHBondContact O-N 3.27Å; R143-W146 WeakPolarHBondContact O-CB 3.49Å; R143-W146 PolarHBondContact O-N 3.34Å; R143-L170 WeakPolarHBondContact CD-O 3.15Å; R143-L170 WeakPolarHBondContact CG-O 3.35Å; R143-L170 PolarHBondContact NE-O 2.97Å; R143-I172 HydrophobicContact CB-CD1 3.77Å; R143-I172 HydrophobicContact CB-CG1 4.19Å; R143-L347 PolarHBondContact NH2-O 2.74Å; R143-S349 WeakPolarHBondContact CD-OG 3.49Å; R143-S349 VanDerWaalsContact CZ-OG 3.26Å; R143-S349 PolarHBondContact NE-OG 2.97Å; R143-S349 PolarHBondContact NH1-OG 3.17Å
144	A	91.2	Very high	93.6	Very high	78 Å²	78	36.7 Å²	36.7	65%	0.645	22%	0.222	S	C	*	.	H	α-helix	trans	-63.8	-36.2	-179.7	0	0	0	0	0	112.2	N140 L141 W146	N140-A144 WeakPolarHBondContact O-CB 3.1Å; N140-A144 PolarHBondContact O-N 2.83Å; L141-A144 PolarHBondContact O-N 3.34Å; A144-W146 VanDerWaalsContact C-N 3.33Å
145	E	94.8	Very high	94	Very high	36 Å²	36	40.2 Å²	40.2	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-81.9	-8	177.5	-69.5	-175.1	-178.6	0	0	113.7	R112 L141 R143 S147 S148 L149	R112-E145 IonicContact CZ-OE1 2.87Å; R112-E145 IonicContact CZ-OE2 3.08Å; R112-E145 VanDerWaalsContact CZ-OE2 3.28Å; R112-E145 IonicContact NE-OE1 2.98Å; R112-E145 IonicContact NE-OE2 3.79Å; R112-E145 PolarHBondContact NE-OE2 3.39Å; R112-E145 IonicContact NH2-OE1 3.6Å; R112-E145 PolarHBondContact NH2-OE1 2.69Å; R112-E145 IonicContact NH2-OE2 2.81Å; R112-E145 PolarHBondContact NH2-OE2 2.96Å; L141-E145 HydrophobicContact CD1-CG 4.11Å; L141-E145 WeakPolarHBondContact CD1-OE1 3.25Å; L141-E145 HydrophobicContact CG-CG 4.45Å; L141-E145 WeakPolarHBondContact O-CG 3.39Å; L141-E145 PolarHBondContact O-N 2.96Å; R143-E145 VanDerWaalsContact C-N 3.29Å; R143-E145 PolarHBondContact O-N 3.27Å; E145-S147 PolarHBondContact O-N 3.42Å; E145-S148 WeakPolarHBondContact O-CB 3.23Å; E145-S148 PolarHBondContact O-N 2.82Å; E145-L149 HydrophobicContact CB-CD1 4.11Å; E145-L149 HydrophobicContact CB-CG 4.18Å; E145-L149 WeakPolarHBondContact O-CG 3.37Å; E145-L149 PolarHBondContact O-N 3.09Å
146	W	95.2	Very high	94	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-50.9	-53	-168.1	-172.5	-108.5	0	0	0	113.9	A116 L119 V120 F142 R143 A144 S148 L149 L150 F167 H168 L170	A116-W146 HydrophobicContact CB-CE3 4.12Å; A116-W146 HydrophobicContact CB-CH2 3.98Å; A116-W146 HydrophobicContact CB-CZ3 3.5Å; A116-W146 VanDerWaalsContact CB-CZ3 3.5Å; L119-W146 HydrophobicContact CB-CH2 3.95Å; L119-W146 HydrophobicContact CD1-CH2 3.91Å; L119-W146 HydrophobicContact CD1-CZ3 3.96Å; V120-W146 HydrophobicContact CG2-CH2 4.35Å; V120-W146 HydrophobicContact CG2-CZ2 4.12Å; F142-W146 HydrophobicContact CE1-CE3 4.3Å; F142-W146 AromaticContact CE1-CZ3 3.91Å; F142-W146 HydrophobicContact CE1-CZ3 3.91Å; F142-W146 HydrophobicContact CE2-CE3 4.29Å; F142-W146 HydrophobicContact CE2-CZ3 4.16Å; F142-W146 HydrophobicContact CZ-CE3 4.04Å; F142-W146 AromaticContact CZ-CZ3 3.55Å; F142-W146 HydrophobicContact CZ-CZ3 3.55Å; F142-W146 PolarHBondContact O-N 2.99Å; F142-W146 VanDerWaalsContact O-N 3.16Å; R143-W146 WeakPolarHBondContact O-CB 3.49Å; R143-W146 PolarHBondContact O-N 3.34Å; A144-W146 VanDerWaalsContact C-N 3.33Å; W146-S148 VanDerWaalsContact C-N 3.29Å; W146-S148 PolarHBondContact O-N 3.41Å; W146-L149 WeakPolarHBondContact O-CB 3.39Å; W146-L149 PolarHBondContact O-N 2.86Å; W146-L149 VanDerWaalsContact O-N 3.13Å; W146-L150 HydrophobicContact CZ2-CD2 4.21Å; W146-L150 WeakPolarHBondContact O-CG 3.43Å; W146-L150 PolarHBondContact O-N 3.12Å; W146-F167 PolarHBondContact NE1-O 2.93Å; W146-H168 VanDerWaalsContact CD1-O 3.31Å; W146-L170 HydrophobicContact CB-CB 4.37Å; W146-L170 HydrophobicContact CD2-CB 3.55Å; W146-L170 HydrophobicContact CD2-CD2 4.07Å; W146-L170 HydrophobicContact CD2-CG 4.35Å; W146-L170 HydrophobicContact CE3-CB 4Å; W146-L170 HydrophobicContact CE3-CD2 3.6Å; W146-L170 HydrophobicContact CE3-CG 4.31Å; W146-L170 HydrophobicContact CG-CB 3.71Å; W146-L170 HydrophobicContact CH2-CD1 4.35Å; W146-L170 HydrophobicContact CZ2-CB 4.28Å; W146-L170 HydrophobicContact CZ2-CD1 4.49Å; W146-L170 HydrophobicContact CZ3-CD1 4.45Å; W146-L170 HydrophobicContact CZ3-CD2 3.84Å
147	S	94.1	Very high	94	Very high	71 Å²	71	49.8 Å²	49.8	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-42.4	-179.7	-46.9	0	0	0	0	112	E145 L149 L150 E151	E145-S147 PolarHBondContact O-N 3.42Å; S147-L149 PolarHBondContact O-N 2.87Å; S147-L150 PolarHBondContact O-N 3.32Å; S147-E151 WeakPolarHBondContact O-CG 3.43Å; S147-E151 PolarHBondContact O-N 3.03Å
148	S	96.3	Very high	94.2	Very high	48 Å²	48	53.6 Å²	53.6	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-67.7	-35.8	178.9	-174.7	0	0	0	0	112.1	R109 E145 W146 E152	R109-S148 PolarHBondContact NH2-OG 3.47Å; E145-S148 WeakPolarHBondContact O-CB 3.23Å; E145-S148 PolarHBondContact O-N 2.82Å; W146-S148 VanDerWaalsContact C-N 3.29Å; W146-S148 PolarHBondContact O-N 3.41Å; S148-E152 PolarHBondContact O-N 3.48Å
149	L	96.9	Very high	94.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-40.6	174.8	-64.1	170.8	0	0	0	111.2	R109 R112 L113 A116 F142 E145 W146 S147 E152 L153	R109-L149 HydrophobicContact CG-CD2 4.23Å; R112-L149 HydrophobicContact CB-CD1 4.08Å; R112-L149 HydrophobicContact CB-CD2 4.35Å; L113-L149 HydrophobicContact CB-CD2 4.33Å; L113-L149 HydrophobicContact CD1-CB 4.28Å; L113-L149 HydrophobicContact CD1-CD2 3.87Å; A116-L149 HydrophobicContact CB-CB 4.18Å; A116-L149 HydrophobicContact CB-CD1 4.29Å; F142-L149 HydrophobicContact CD2-CD1 3.83Å; F142-L149 HydrophobicContact CE2-CD1 3.69Å; E145-L149 HydrophobicContact CB-CD1 4.11Å; E145-L149 HydrophobicContact CB-CG 4.18Å; E145-L149 WeakPolarHBondContact O-CG 3.37Å; E145-L149 PolarHBondContact O-N 3.09Å; W146-L149 WeakPolarHBondContact O-CB 3.39Å; W146-L149 PolarHBondContact O-N 2.86Å; W146-L149 VanDerWaalsContact O-N 3.13Å; S147-L149 PolarHBondContact O-N 2.87Å; L149-E152 PolarHBondContact O-N 3.15Å; L149-L153 WeakPolarHBondContact O-CB 3.28Å; L149-L153 VanDerWaalsContact O-CG 3.27Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.41Å
150	L	96	Very high	94.3	Very high	8 Å²	8	56.2 Å²	56.2	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-42.6	177.3	-67	-177.1	0	0	0	112.4	V120 W146 S147 E152 L153 V154 I159 A164 F167	V120-L150 HydrophobicContact CG2-CD2 3.68Å; W146-L150 HydrophobicContact CZ2-CD2 4.21Å; W146-L150 WeakPolarHBondContact O-CG 3.43Å; W146-L150 PolarHBondContact O-N 3.12Å; S147-L150 PolarHBondContact O-N 3.32Å; L150-E152 VanDerWaalsContact C-N 3.29Å; L150-E152 PolarHBondContact O-N 2.96Å; L150-L153 HydrophobicContact CD2-CD1 4.43Å; L150-L153 PolarHBondContact O-N 3.18Å; L150-V154 WeakPolarHBondContact O-CG2 3.3Å; L150-V154 PolarHBondContact O-N 3.31Å; L150-I159 HydrophobicContact CD2-CD1 3.74Å; L150-A164 HydrophobicContact CB-CB 4.46Å; L150-F167 WeakPolarHBondContact CD1-O 3.44Å
151	E	95.5	Very high	94.3	Very high	130 Å²	130	57.2 Å²	57.2	61%	0.607	33%	0.33	S	S	*	.	H	α-helix	trans	-57.6	-43.6	175.3	-73.9	170.5	-172.2	0	0	111.8	S147 V154 T155	S147-E151 WeakPolarHBondContact O-CG 3.43Å; S147-E151 PolarHBondContact O-N 3.03Å; E151-V154 PolarHBondContact O-N 2.91Å; E151-T155 WeakPolarHBondContact O-CB 3.22Å; E151-T155 PolarHBondContact O-N 2.76Å; E151-T155 PolarHBondContact O-OG1 2.7Å
152	E	96.3	Very high	94.4	Very high	72 Å²	72	61 Å²	61	34%	0.336	35%	0.346	S	S	.	.	H	α-helix	trans	-67	-39.6	177.4	-171.8	177.6	155.7	0	0	111.8	R109 L113 S148 L149 L150 T155 S156	R109-E152 IonicContact CZ-OE2 3.91Å; R109-E152 IonicContact NE-OE2 3.96Å; R109-E152 PolarHBondContact NE-OE2 2.82Å; R109-E152 IonicContact NH2-OE2 2.87Å; R109-E152 PolarHBondContact NH2-OE2 3.01Å; L113-E152 HydrophobicContact CD1-CB 3.83Å; L113-E152 HydrophobicContact CD1-CG 3.82Å; L113-E152 HydrophobicContact CD2-CG 4.35Å; S148-E152 PolarHBondContact O-N 3.48Å; L149-E152 PolarHBondContact O-N 3.15Å; L150-E152 VanDerWaalsContact C-N 3.29Å; L150-E152 PolarHBondContact O-N 2.96Å; E152-T155 PolarHBondContact O-N 3.33Å; E152-S156 WeakPolarHBondContact O-CB 3.13Å; E152-S156 PolarHBondContact O-N 2.92Å; E152-S156 PolarHBondContact O-OG 3Å
153	L	96	Very high	94.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-35.7	175.6	-74.1	170	0	0	0	113.1	L113 A116 E117 L149 L150 S156 N157 K158 I159	L113-L153 HydrophobicContact CD1-CD2 4.17Å; L113-L153 HydrophobicContact CD1-CG 3.86Å; L113-L153 HydrophobicContact CD2-CD2 4.26Å; L113-L153 HydrophobicContact CG-CD2 3.8Å; L113-L153 HydrophobicContact CG-CG 4.04Å; A116-L153 HydrophobicContact CB-CD1 3.88Å; E117-L153 HydrophobicContact CB-CD1 4.19Å; E117-L153 HydrophobicContact CB-CD2 3.87Å; E117-L153 HydrophobicContact CG-CD2 4.26Å; L149-L153 WeakPolarHBondContact O-CB 3.28Å; L149-L153 VanDerWaalsContact O-CG 3.27Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.41Å; L150-L153 HydrophobicContact CD2-CD1 4.43Å; L150-L153 PolarHBondContact O-N 3.18Å; L153-S156 WeakPolarHBondContact CA-OG 3.42Å; L153-S156 PolarHBondContact O-OG 3.23Å; L153-N157 PolarHBondContact O-N 3.01Å; L153-K158 HydrophobicContact CB-CB 4.4Å; L153-K158 HydrophobicContact CD2-CB 3.64Å; L153-K158 HydrophobicContact CD2-CG 4.08Å; L153-K158 PolarHBondContact O-N 3.39Å; L153-I159 HydrophobicContact CB-CD1 3.62Å; L153-I159 HydrophobicContact CB-CG1 3.72Å; L153-I159 HydrophobicContact CB-CG2 4.42Å; L153-I159 HydrophobicContact CD1-CD1 4.18Å; L153-I159 PolarHBondContact O-N 3.13Å
154	V	95.7	Very high	94.2	Very high	41 Å²	41	60.6 Å²	60.6	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-68.3	-46.9	173.5	172.2	0	0	0	0	110.1	L150 E151 S156 N157 I159 A161 A164	L150-V154 WeakPolarHBondContact O-CG2 3.3Å; L150-V154 PolarHBondContact O-N 3.31Å; E151-V154 PolarHBondContact O-N 2.91Å; V154-S156 PolarHBondContact O-N 3.35Å; V154-N157 PolarHBondContact O-N 2.86Å; V154-I159 HydrophobicContact CG2-CD1 4.17Å; V154-I159 HydrophobicContact CG2-CG1 3.84Å; V154-A161 HydrophobicContact CG1-CB 4.17Å; V154-A164 HydrophobicContact CG2-CB 3.4Å; V154-A164 VanDerWaalsContact CG2-CB 3.4Å
155	T	94.8	Very high	94.2	Very high	120 Å²	120	64.6 Å²	64.6	74%	0.736	36%	0.356	S	S	*	.	H	α-helix	trans	-62.7	-34.2	-179.2	-54.7	0	0	0	0	111.8	E151 E152 N157	E151-T155 WeakPolarHBondContact O-CB 3.22Å; E151-T155 PolarHBondContact O-N 2.76Å; E151-T155 PolarHBondContact O-OG1 2.7Å; E152-T155 PolarHBondContact O-N 3.33Å; T155-N157 VanDerWaalsContact C-N 3.3Å; T155-N157 PolarHBondContact O-N 3.01Å
156	S	93.3	Very high	94	Very high	57 Å²	57	69 Å²	69	40%	0.399	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	7.3	176.5	58.8	0	0	0	0	114.5	E152 L153 V154 K158	E152-S156 WeakPolarHBondContact O-CB 3.13Å; E152-S156 PolarHBondContact O-N 2.92Å; E152-S156 PolarHBondContact O-OG 3Å; L153-S156 WeakPolarHBondContact CA-OG 3.42Å; L153-S156 PolarHBondContact O-OG 3.23Å; V154-S156 PolarHBondContact O-N 3.35Å; S156-K158 PolarHBondContact O-N 3.43Å; S156-K158 WeakPolarHBondContact OG-CG 3.42Å
157	N	92.9	Very high	93.8	Very high	151 Å²	151	69.7 Å²	69.7	81%	0.807	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	29.8	-178.3	-68.3	-48.7	0	0	0	114.3	L153 V154 T155	L153-N157 PolarHBondContact O-N 3.01Å; V154-N157 PolarHBondContact O-N 2.86Å; T155-N157 VanDerWaalsContact C-N 3.3Å; T155-N157 PolarHBondContact O-N 3.01Å
158	K	93.1	Very high	93.6	Very high	117 Å²	117	71.9 Å²	71.9	51%	0.509	38%	0.382	S	S	.	.	S	Bend	trans	-84.1	-30.6	175.8	-68.5	-68.6	-174.7	172.1	0	112.5	E117 L153 S156	E117-K158 HydrophobicContact CG-CB 4.42Å; L153-K158 HydrophobicContact CB-CB 4.4Å; L153-K158 HydrophobicContact CD2-CB 3.64Å; L153-K158 HydrophobicContact CD2-CG 4.08Å; L153-K158 PolarHBondContact O-N 3.39Å; S156-K158 PolarHBondContact O-N 3.43Å; S156-K158 WeakPolarHBondContact OG-CG 3.42Å
159	I	93.7	Very high	93.2	Very high	18 Å²	18	71.8 Å²	71.8	9%	0.092	37%	0.374	C	S	.	.	S	Bend	trans	-133.8	157.4	174.2	69.6	-177.7	0	0	0	109.8	E117 V120 L150 L153 V154 A164	E117-I159 HydrophobicContact CG-CG2 4.45Å; V120-I159 HydrophobicContact CB-CG2 4.41Å; V120-I159 HydrophobicContact CG1-CB 4.35Å; V120-I159 HydrophobicContact CG1-CD1 4.41Å; V120-I159 HydrophobicContact CG1-CG2 3.92Å; L150-I159 HydrophobicContact CD2-CD1 3.74Å; L153-I159 HydrophobicContact CB-CD1 3.62Å; L153-I159 HydrophobicContact CB-CG1 3.72Å; L153-I159 HydrophobicContact CB-CG2 4.42Å; L153-I159 HydrophobicContact CD1-CD1 4.18Å; L153-I159 PolarHBondContact O-N 3.13Å; V154-I159 HydrophobicContact CG2-CD1 4.17Å; V154-I159 HydrophobicContact CG2-CG1 3.84Å; I159-A164 HydrophobicContact CD1-CB 3.93Å; I159-A164 HydrophobicContact CG1-CB 4.48Å
160	S	93.5	Very high	93.1	Very high	55 Å²	55	71.9 Å²	71.9	39%	0.385	38%	0.375	S	S	.	.			trans	-76.9	153.1	174.5	80.3	0	0	0	0	111.3	E162 S163 A164	S160-E162 PolarHBondContact O-N 3.21Å; S160-E162 PolarHBondContact OG-N 2.83Å; S160-S163 PolarHBondContact O-N 3.28Å; S160-S163 WeakPolarHBondContact OG-CB 3.43Å; S160-S163 PolarHBondContact OG-N 2.98Å; S160-S163 PolarHBondContact OG-OG 3.34Å; S160-A164 PolarHBondContact O-N 3.29Å
161	A	92.1	Very high	93	Very high	60 Å²	60	71.6 Å²	71.6	50%	0.496	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-27.8	173.8	0	0	0	0	0	112.7	V154 K165	V154-A161 HydrophobicContact CG1-CB 4.17Å; A161-K165 PolarHBondContact O-N 2.72Å; A161-K165 VanDerWaalsContact O-N 3.14Å
162	E	93.2	Very high	93	Very high	156 Å²	156	65.5 Å²	65.5	73%	0.729	35%	0.345	S	S	*	.	H	α-helix	trans	-71.2	-45.9	175.6	-170.7	170.2	-165	0	0	111.3	S160 A164 K165 Q166	S160-E162 PolarHBondContact O-N 3.21Å; S160-E162 PolarHBondContact OG-N 2.83Å; E162-A164 VanDerWaalsContact C-N 3.31Å; E162-A164 PolarHBondContact O-N 2.97Å; E162-K165 PolarHBondContact O-N 3.25Å; E162-K165 VanDerWaalsContact O-N 3.15Å; E162-Q166 WeakPolarHBondContact O-CB 3.41Å; E162-Q166 PolarHBondContact O-N 3.49Å
163	S	91.2	Very high	93	Very high	35 Å²	35	62.2 Å²	62.2	25%	0.245	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-41.9	173.5	-54.5	0	0	0	0	111.4	S160 K165 Q166 F167	S160-S163 PolarHBondContact O-N 3.28Å; S160-S163 WeakPolarHBondContact OG-CB 3.43Å; S160-S163 PolarHBondContact OG-N 2.98Å; S160-S163 PolarHBondContact OG-OG 3.34Å; S163-K165 VanDerWaalsContact C-N 3.3Å; S163-K165 PolarHBondContact O-N 3.17Å; S163-Q166 PolarHBondContact O-N 3.09Å; S163-F167 WeakPolarHBondContact O-CD2 3.37Å; S163-F167 PolarHBondContact O-N 3.34Å
164	A	91.7	Very high	93.1	Very high	15 Å²	15	62.2 Å²	62.2	12%	0.124	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-36	176.6	0	0	0	0	0	112.7	L150 V154 I159 S160 E162 H168	L150-A164 HydrophobicContact CB-CB 4.46Å; V154-A164 HydrophobicContact CG2-CB 3.4Å; V154-A164 VanDerWaalsContact CG2-CB 3.4Å; I159-A164 HydrophobicContact CD1-CB 3.93Å; I159-A164 HydrophobicContact CG1-CB 4.48Å; S160-A164 PolarHBondContact O-N 3.29Å; E162-A164 VanDerWaalsContact C-N 3.31Å; E162-A164 PolarHBondContact O-N 2.97Å; A164-H168 WeakPolarHBondContact O-CA 3.27Å; A164-H168 WeakPolarHBondContact O-CB 3.39Å; A164-H168 PolarHBondContact O-N 2.83Å; A164-H168 VanDerWaalsContact O-N 3.11Å
165	K	91.9	Very high	93.1	Very high	162 Å²	162	60.2 Å²	60.2	70%	0.704	32%	0.318	S	S	*	.	H	α-helix	trans	-71.1	-42.6	173.1	-79.1	-177.2	178.5	-179.1	0	112.4	A161 E162 S163 F167 H168	A161-K165 PolarHBondContact O-N 2.72Å; A161-K165 VanDerWaalsContact O-N 3.14Å; E162-K165 PolarHBondContact O-N 3.25Å; E162-K165 VanDerWaalsContact O-N 3.15Å; S163-K165 VanDerWaalsContact C-N 3.3Å; S163-K165 PolarHBondContact O-N 3.17Å; K165-F167 VanDerWaalsContact C-N 3.34Å; K165-F167 PolarHBondContact O-N 3.34Å; K165-H168 WeakPolarHBondContact O-CB 3.45Å; K165-H168 PolarHBondContact O-ND1 2.89Å
166	Q	90.1	Very high	93.2	Very high	130 Å²	130	54.7 Å²	54.7	61%	0.607	28%	0.284	S	S	*	.	H	α-helix	trans	-62.7	-43.3	179.8	-173.3	177.7	2.9	0	0	111.3	E162 S163	E162-Q166 WeakPolarHBondContact O-CB 3.41Å; E162-Q166 PolarHBondContact O-N 3.49Å; S163-Q166 PolarHBondContact O-N 3.09Å
167	F	91.6	Very high	93.3	Very high	17 Å²	17	52 Å²	52	8%	0.075	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	31.4	-176.9	-50.2	-62.8	0	0	0	112.5	V120 Q123 T125 W146 L150 S163 K165 R169	V120-F167 HydrophobicContact CG1-CD2 3.89Å; V120-F167 HydrophobicContact CG2-CB 4.3Å; Q123-F167 HydrophobicContact CB-CE1 3.79Å; Q123-F167 HydrophobicContact CB-CZ 3.67Å; Q123-F167 HydrophobicContact CG-CE1 4.31Å; Q123-F167 HydrophobicContact CG-CE2 4.37Å; Q123-F167 HydrophobicContact CG-CZ 3.67Å; T125-F167 HydrophobicContact CG2-CB 4.01Å; T125-F167 HydrophobicContact CG2-CD1 3.55Å; T125-F167 HydrophobicContact CG2-CG 4.24Å; W146-F167 PolarHBondContact NE1-O 2.93Å; L150-F167 WeakPolarHBondContact CD1-O 3.44Å; S163-F167 WeakPolarHBondContact O-CD2 3.37Å; S163-F167 PolarHBondContact O-N 3.34Å; K165-F167 VanDerWaalsContact C-N 3.34Å; K165-F167 PolarHBondContact O-N 3.34Å; F167-R169 PolarHBondContact O-N 3.03Å
168	H	90.2	Very high	93.5	Very high	118 Å²	118	45 Å²	45	55%	0.546	23%	0.228	S	C	.	.			trans	-62.7	-13.2	-174.2	69.7	-80.9	0	0	0	114.2	W146 A164 K165	W146-H168 VanDerWaalsContact CD1-O 3.31Å; A164-H168 WeakPolarHBondContact O-CA 3.27Å; A164-H168 WeakPolarHBondContact O-CB 3.39Å; A164-H168 PolarHBondContact O-N 2.83Å; A164-H168 VanDerWaalsContact O-N 3.11Å; K165-H168 WeakPolarHBondContact O-CB 3.45Å; K165-H168 PolarHBondContact O-ND1 2.89Å
169	R	88	Confident	93.6	Very high	45 Å²	45	39.4 Å²	39.4	17%	0.17	20%	0.204	C	C	.	.			trans	-125.7	137.3	-176.6	-167.1	171.2	178.4	-138.9	-3.7	111.2	F167 N171 A341 D344 P345	F167-R169 PolarHBondContact O-N 3.03Å; R169-N171 PolarHBondContact NE-OD1 3.02Å; R169-A341 PolarHBondContact NH1-O 2.7Å; R169-A341 PolarHBondContact NH2-O 3.13Å; R169-D344 PolarHBondContact NH2-O 3.45Å; R169-P345 VanDerWaalsContact CZ-CA 3.41Å; R169-P345 VanDerWaalsContact NH2-C 3.28Å; R169-P345 PolarHBondContact NH2-O 3.33Å
170	L	93.6	Very high	93.7	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.199	C	C	.	.			trans	-112.9	116.9	169.7	-176.3	69.7	0	0	0	109.2	L119 T125 L127 F142 R143 W146 I172	L119-L170 HydrophobicContact CD1-CD1 4.1Å; T125-L170 WeakPolarHBondContact O-CA 3.3Å; L127-L170 HydrophobicContact CB-CD1 4.34Å; F142-L170 HydrophobicContact CD1-CD2 3.6Å; F142-L170 HydrophobicContact CE1-CD2 3.66Å; F142-L170 HydrophobicContact CG-CD2 4.48Å; R143-L170 WeakPolarHBondContact CD-O 3.15Å; R143-L170 WeakPolarHBondContact CG-O 3.35Å; R143-L170 PolarHBondContact NE-O 2.97Å; W146-L170 HydrophobicContact CB-CB 4.37Å; W146-L170 HydrophobicContact CD2-CB 3.55Å; W146-L170 HydrophobicContact CD2-CD2 4.07Å; W146-L170 HydrophobicContact CD2-CG 4.35Å; W146-L170 HydrophobicContact CE3-CB 4Å; W146-L170 HydrophobicContact CE3-CD2 3.6Å; W146-L170 HydrophobicContact CE3-CG 4.31Å; W146-L170 HydrophobicContact CG-CB 3.71Å; W146-L170 HydrophobicContact CH2-CD1 4.35Å; W146-L170 HydrophobicContact CZ2-CB 4.28Å; W146-L170 HydrophobicContact CZ2-CD1 4.49Å; W146-L170 HydrophobicContact CZ3-CD1 4.45Å; W146-L170 HydrophobicContact CZ3-CD2 3.84Å; L170-I172 HydrophobicContact CD2-CD1 3.76Å; L170-I172 HydrophobicContact CD2-CG1 3.98Å; L170-I172 HydrophobicContact CG-CD1 4.27Å; L170-I172 HydrophobicContact CG-CG1 3.91Å
171	N	94.8	Very high	93.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.3	171.1	-57.6	-41	0	0	0	108.3	T125 N126 L127 R169 L338 A341 D342	T125-N171 PolarHBondContact O-N 3.11Å; N126-N171 WeakPolarHBondContact OD1-CB 3.16Å; N126-N171 PolarHBondContact OD1-ND2 3.47Å; L127-N171 PolarHBondContact N-O 3.11Å; R169-N171 PolarHBondContact NE-OD1 3.02Å; N171-L338 HydrophobicContact CB-CD2 3.73Å; N171-L338 WeakPolarHBondContact O-CD2 3.46Å; N171-A341 HydrophobicContact CB-CB 4.43Å; N171-D342 WeakPolarHBondContact ND2-CA 3.48Å; N171-D342 PolarHBondContact ND2-OD1 2.78Å
172	I	95.7	Very high	93.8	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.4	177.6	-60.4	-169.3	0	0	0	109.5	L127 V129 A139 F142 R143 L170 S349	L127-I172 HydrophobicContact CB-CG1 4.32Å; L127-I172 HydrophobicContact CD2-CD1 4.35Å; L127-I172 WeakPolarHBondContact O-CA 3.31Å; V129-I172 HydrophobicContact CG2-CG2 4.34Å; A139-I172 HydrophobicContact CB-CD1 4.19Å; A139-I172 HydrophobicContact CB-CG2 3.92Å; A139-I172 WeakPolarHBondContact O-CD1 3.4Å; F142-I172 HydrophobicContact CD1-CD1 4.48Å; R143-I172 HydrophobicContact CB-CD1 3.77Å; R143-I172 HydrophobicContact CB-CG1 4.19Å; L170-I172 HydrophobicContact CD2-CD1 3.76Å; L170-I172 HydrophobicContact CD2-CG1 3.98Å; L170-I172 HydrophobicContact CG-CD1 4.27Å; L170-I172 HydrophobicContact CG-CG1 3.91Å; I172-S349 WeakPolarHBondContact O-CB 3.24Å; I172-S349 PolarHBondContact O-OG 3.1Å
173	V	96.9	Very high	93.6	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.8	165.3	176.2	0	0	0	0	109.6	L127 V128 V129 A334 A337 L338 C350 I352	L127-V173 PolarHBondContact O-N 3.39Å; V128-V173 WeakPolarHBondContact CA-O 3.47Å; V129-V173 PolarHBondContact N-O 2.98Å; V173-A334 HydrophobicContact CB-CB 4.35Å; V173-A334 HydrophobicContact CG1-CB 3.69Å; V173-A337 HydrophobicContact CG2-CB 3.87Å; V173-L338 HydrophobicContact CB-CD2 4.24Å; V173-L338 HydrophobicContact CB-CG 4.12Å; V173-L338 HydrophobicContact CG2-CD2 3.72Å; V173-L338 HydrophobicContact CG2-CG 3.65Å; V173-C350 WeakPolarHBondContact CA-O 3.35Å; V173-I352 HydrophobicContact CG1-CD1 3.81Å; V173-I352 HydrophobicContact CG1-CG1 3.66Å
174	G	96.5	Very high	93.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.1	177.4	0	0	0	0	0	112.6	V129 L136 C350 V351 I352	V129-G174 CarbonylContact O-C 3.56Å; V129-G174 WeakPolarHBondContact O-CA 3.48Å; L136-G174 VanDerWaalsContact CD2-CA 3.47Å; G174-C350 PolarHBondContact N-O 2.67Å; G174-V351 CarbonylContact O-C 3.53Å; G174-V351 VanDerWaalsContact O-CA 3.24Å; G174-V351 WeakPolarHBondContact O-CA 3.43Å; G174-I352 PolarHBondContact O-N 2.96Å
175	L	97.4	Very high	93.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.4	165.5	-59	-173.3	0	0	0	109.1	A47 V128 V129 I130 G131 G177 M330 A334 I352	A47-L175 HydrophobicContact CB-CD1 3.98Å; V128-L175 HydrophobicContact CG1-CD1 4.06Å; V128-L175 HydrophobicContact CG1-CG 4.11Å; V129-L175 PolarHBondContact O-N 3.29Å; I130-L175 WeakPolarHBondContact CA-O 3.34Å; I130-L175 HydrophobicContact CB-CB 4.43Å; I130-L175 HydrophobicContact CD1-CD1 4.36Å; I130-L175 HydrophobicContact CG1-CB 4.06Å; I130-L175 HydrophobicContact CG1-CD1 4.02Å; I130-L175 HydrophobicContact CG1-CG 4.36Å; I130-L175 HydrophobicContact CG2-CB 4.33Å; G131-L175 PolarHBondContact N-O 3.02Å; L175-G177 PolarHBondContact O-N 3.27Å; L175-M330 HydrophobicContact CD1-CB 4.35Å; L175-M330 HydrophobicContact CD2-CB 3.86Å; L175-A334 HydrophobicContact CD1-CB 4.25Å; L175-A334 HydrophobicContact CD2-CB 3.99Å; L175-A334 HydrophobicContact CG-CB 4.31Å; L175-I352 HydrophobicContact CD2-CB 3.5Å; L175-I352 HydrophobicContact CD2-CG1 3.6Å
176	V	96.1	Very high	93	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.018	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	100	-177.4	-163	0	0	0	0	110.5	G131 L136 F183 T186 T189 I190 V351	G131-V176 WeakPolarHBondContact O-CA 3.5Å; L136-V176 HydrophobicContact CD1-CG2 3.8Å; V176-F183 HydrophobicContact CB-CB 4.48Å; V176-F183 HydrophobicContact CB-CD1 4.49Å; V176-F183 HydrophobicContact CG1-CB 3.58Å; V176-F183 HydrophobicContact CG1-CD1 4.36Å; V176-F183 HydrophobicContact CG1-CG 3.94Å; V176-F183 HydrophobicContact CG2-CB 4.17Å; V176-F183 HydrophobicContact CG2-CD1 3.37Å; V176-F183 HydrophobicContact CG2-CE1 3.79Å; V176-F183 HydrophobicContact CG2-CG 3.81Å; V176-T186 HydrophobicContact CG2-CG2 4.48Å; V176-T189 HydrophobicContact CB-CG2 3.86Å; V176-T189 HydrophobicContact CG1-CG2 3.35Å; V176-I190 PolarHBondContact O-N 3.49Å; V176-V351 HydrophobicContact CG2-CG1 3.67Å
177	G	96.1	Very high	93	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	99.9	170.9	0	0	0	0	0	110.2	M44 G131 G132 L175	M44-G177 VanDerWaalsContact CE-O 3.24Å; M44-G177 WeakPolarHBondContact CE-O 3.41Å; G131-G177 CarbonylContact C-O 3.5Å; G131-G177 VanDerWaalsContact C-O 3.3Å; G131-G177 PolarHBondContact O-N 3.37Å; G132-G177 PolarHBondContact N-O 2.84Å; L175-G177 PolarHBondContact O-N 3.27Å
178	S	95.5	Very high	93.1	Very high	5 Å²	5	14.4 Å²	14.4	4%	0.035	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	142.3	-178.9	-175.7	0	0	0	0	109.8	D180 T189 I190	S178-D180 VanDerWaalsContact C-N 3.32Å; S178-D180 PolarHBondContact OG-N 3.39Å; S178-D180 VanDerWaalsContact OG-N 3.16Å; S178-D180 PolarHBondContact OG-OD2 3.28Å; S178-T189 WeakPolarHBondContact O-CB 3.48Å; S178-T189 PolarHBondContact O-OG1 3.1Å; S178-I190 CarbonylContact C-O 3.57Å; S178-I190 PolarHBondContact N-O 2.86Å; S178-I190 VanDerWaalsContact O-O 3.08Å
179	I	97	Very high	93.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-79.2	-21	170.5	66.6	161.8	0	0	0	112	A41 N181 A195 M222 L229 Q314 R315	A41-I179 HydrophobicContact CB-CG2 4.04Å; I179-N181 VanDerWaalsContact C-N 3.28Å; I179-N181 PolarHBondContact O-N 3.26Å; I179-A195 HydrophobicContact CB-CB 3.72Å; I179-A195 HydrophobicContact CD1-CB 4.44Å; I179-A195 HydrophobicContact CG2-CB 3.93Å; I179-M222 HydrophobicContact CD1-CB 3.96Å; I179-M222 HydrophobicContact CD1-SD 4.12Å; I179-L229 HydrophobicContact CB-CD1 4.44Å; I179-L229 HydrophobicContact CD1-CD1 4.26Å; I179-L229 HydrophobicContact CG1-CD1 4.39Å; I179-L229 WeakPolarHBondContact O-CD1 3.35Å; I179-L229 WeakPolarHBondContact O-CD2 3.47Å; I179-L229 WeakPolarHBondContact O-CG 3.46Å; I179-Q314 HydrophobicContact CD1-CB 4.3Å; I179-R315 HydrophobicContact CD1-CG 3.65Å; I179-R315 HydrophobicContact CG1-CG 4.37Å; I179-R315 HydrophobicContact CG2-CG 4.41Å
180	D	95.1	Very high	93.8	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	4%	0.04	C	C	.	.	S	Bend	trans	-75.6	-19.3	-166.2	-56.3	-37.9	0	0	0	112.2	S178 D182 G223 R315	S178-D180 VanDerWaalsContact C-N 3.32Å; S178-D180 PolarHBondContact OG-N 3.39Å; S178-D180 VanDerWaalsContact OG-N 3.16Å; S178-D180 PolarHBondContact OG-OD2 3.28Å; D180-D182 HydrophobicContact CB-CB 4.12Å; D180-D182 PolarHBondContact O-N 3.31Å; D180-G223 VanDerWaalsContact OD1-CA 3.24Å; D180-G223 WeakPolarHBondContact OD1-CA 3.38Å; D180-R315 IonicContact OD1-NH2 2.67Å
181	N	94.7	Very high	94	Very high	15 Å²	15	6.6 Å²	6.6	8%	0.08	4%	0.039	C	C	.	.			trans	48.8	41.5	-171.9	-157.4	34	0	0	0	113.2	I179 D187 M188 T189 A192 Y228	I179-N181 VanDerWaalsContact C-N 3.28Å; I179-N181 PolarHBondContact O-N 3.26Å; N181-D187 PolarHBondContact ND2-O 3.29Å; N181-M188 WeakPolarHBondContact OD1-CA 3.38Å; N181-T189 VanDerWaalsContact CA-OG1 3.3Å; N181-T189 WeakPolarHBondContact CA-OG1 3.39Å; N181-T189 PolarHBondContact N-OG1 3.28Å; N181-T189 WeakPolarHBondContact OD1-CG2 3.27Å; N181-T189 PolarHBondContact OD1-N 2.86Å; N181-T189 PolarHBondContact OD1-OG1 3.22Å; N181-A192 HydrophobicContact CB-CB 3.94Å; N181-Y228 HydrophobicContact CB-CD1 3.54Å; N181-Y228 HydrophobicContact CB-CD2 4.41Å; N181-Y228 HydrophobicContact CB-CE1 4.02Å; N181-Y228 HydrophobicContact CB-CG 3.78Å; N181-Y228 WeakPolarHBondContact ND2-CD2 3.39Å; N181-Y228 WeakPolarHBondContact ND2-CE1 3.44Å; N181-Y228 WeakPolarHBondContact ND2-CE2 3.23Å
182	D	91.5	Very high	94.1	Very high	10 Å²	10	6.5 Å²	6.5	5%	0.053	4%	0.039	C	C	.	.			trans	-100.8	-5.2	-170.9	67.6	-23.6	0	0	0	114.1	D180 R224 C226 R390	D180-D182 HydrophobicContact CB-CB 4.12Å; D180-D182 PolarHBondContact O-N 3.31Å; D182-R224 IonicContact OD2-NH1 3.92Å; D182-R224 PolarHBondContact OD2-NH1 2.95Å; D182-C226 HydrophobicContact CB-CB 3.68Å; D182-R390 PolarHBondContact O-NH1 2.99Å
183	F	89.5	Confident	94.2	Very high	4 Å²	4	6.7 Å²	6.7	2%	0.018	4%	0.04	C	C	.	.			trans	-84.7	122.5	-178.8	-165.3	-98.7	0	0	0	111.7	D133 L136 V176 T189 V351 C367 V368	D133-F183 HydrophobicContact CB-CD2 4.08Å; L136-F183 HydrophobicContact CB-CE2 4.22Å; L136-F183 HydrophobicContact CB-CZ 4.4Å; L136-F183 HydrophobicContact CD1-CD2 4.31Å; L136-F183 HydrophobicContact CD1-CE1 4.07Å; L136-F183 HydrophobicContact CD1-CE2 3.75Å; L136-F183 HydrophobicContact CD1-CZ 3.6Å; V176-F183 HydrophobicContact CB-CB 4.48Å; V176-F183 HydrophobicContact CB-CD1 4.49Å; V176-F183 HydrophobicContact CG1-CB 3.58Å; V176-F183 HydrophobicContact CG1-CD1 4.36Å; V176-F183 HydrophobicContact CG1-CG 3.94Å; V176-F183 HydrophobicContact CG2-CB 4.17Å; V176-F183 HydrophobicContact CG2-CD1 3.37Å; V176-F183 HydrophobicContact CG2-CE1 3.79Å; V176-F183 HydrophobicContact CG2-CG 3.81Å; F183-T189 HydrophobicContact CB-CG2 4.35Å; F183-V351 HydrophobicContact CE1-CB 4.44Å; F183-V351 HydrophobicContact CE1-CG1 4.04Å; F183-V351 HydrophobicContact CE1-CG2 4.04Å; F183-V351 HydrophobicContact CZ-CG2 4.13Å; F183-C367 HydrophobicContact CD1-CB 4.35Å; F183-C367 HydrophobicContact CE1-CB 3.37Å; F183-C367 HydrophobicContact CZ-CB 3.53Å; F183-V368 HydrophobicContact CE2-CG2 4.34Å; F183-V368 HydrophobicContact CZ-CG2 4.34Å
184	C	88.5	Confident	94.3	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.014	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	137.1	-176.9	-64.3	0	0	0	0	111.8	C367 R370 T371 V374	C184-C367 VanDerWaalsContact O-CB 3.29Å; C184-C367 WeakPolarHBondContact O-CB 3.46Å; C184-C367 PolarHBondContact O-SG 3.34Å; C184-R370 HydrophobicContact CB-CB 3.86Å; C184-R370 HydrophobicContact CB-CG 3.65Å; C184-T371 WeakPolarHBondContact CB-OG1 3.35Å; C184-T371 PolarHBondContact N-OG1 2.97Å; C184-V374 VanDerWaalsContact SG-CG2 3.6Å
185	G	85.6	Confident	94.4	Very high	14 Å²	14	6.7 Å²	6.7	14%	0.144	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	11.4	178.7	0	0	0	0	0	114.8	S353	G185-S353 WeakPolarHBondContact O-CB 3.28Å; G185-S353 PolarHBondContact O-OG 2.9Å
186	T	89.7	Confident	94.4	Very high	14 Å²	14	6.9 Å²	6.9	9%	0.086	4%	0.041	C	C	.	.			trans	-133	144	163.5	-169.7	0	0	0	0	109.2	V176 M188 T189 L354	V176-T186 HydrophobicContact CG2-CG2 4.48Å; T186-M188 VanDerWaalsContact C-N 3.33Å; T186-M188 PolarHBondContact OG1-O 2.94Å; T186-T189 HydrophobicContact CG2-CG2 3.7Å; T186-L354 PolarHBondContact OG1-N 3.29Å; T186-L354 VanDerWaalsContact OG1-N 3.13Å
187	D	89	Confident	94.5	Very high	38 Å²	38	8.4 Å²	8.4	20%	0.203	5%	0.047	C	C	.	.	S	Bend	trans	-75.2	-26.8	174.3	-78.8	-32.9	0	0	0	112.3	N181 L354 G356 S393	N181-D187 PolarHBondContact ND2-O 3.29Å; D187-L354 PolarHBondContact N-O 2.59Å; D187-G356 PolarHBondContact OD2-N 3.37Å; D187-S393 WeakPolarHBondContact OD1-CB 3.21Å
188	M	93.4	Very high	94.6	Very high	25 Å²	25	11.7 Å²	11.7	12%	0.123	6%	0.06	C	C	.	.			trans	-146.8	134.8	179.4	-163.1	67.4	77.9	0	0	111.3	N181 T186 A192 Y228 F322 L326 L354	N181-M188 WeakPolarHBondContact OD1-CA 3.38Å; T186-M188 VanDerWaalsContact C-N 3.33Å; T186-M188 PolarHBondContact OG1-O 2.94Å; M188-A192 HydrophobicContact CG-CB 4.48Å; M188-A192 HydrophobicContact SD-CB 3.66Å; M188-Y228 WeakPolarHBondContact CE-OH 3.46Å; M188-Y228 HydrophobicContact SD-CE1 4.17Å; M188-F322 HydrophobicContact CB-CE1 4.28Å; M188-F322 HydrophobicContact CB-CZ 4.29Å; M188-F322 HydrophobicContact CG-CE1 3.63Å; M188-F322 HydrophobicContact CG-CZ 4.09Å; M188-L326 HydrophobicContact CG-CD2 4.43Å; M188-L354 HydrophobicContact CB-CD2 4.33Å
189	T	95.5	Very high	94.7	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	6%	0.058	C	C	.	.			trans	-93.9	150.7	170.7	55.6	0	0	0	0	111.2	V176 S178 N181 F183 T186 G191 A192	V176-T189 HydrophobicContact CB-CG2 3.86Å; V176-T189 HydrophobicContact CG1-CG2 3.35Å; S178-T189 WeakPolarHBondContact O-CB 3.48Å; S178-T189 PolarHBondContact O-OG1 3.1Å; N181-T189 VanDerWaalsContact CA-OG1 3.3Å; N181-T189 WeakPolarHBondContact CA-OG1 3.39Å; N181-T189 PolarHBondContact N-OG1 3.28Å; N181-T189 WeakPolarHBondContact OD1-CG2 3.27Å; N181-T189 PolarHBondContact OD1-N 2.86Å; N181-T189 PolarHBondContact OD1-OG1 3.22Å; F183-T189 HydrophobicContact CB-CG2 4.35Å; T186-T189 HydrophobicContact CG2-CG2 3.7Å; T189-G191 PolarHBondContact O-N 2.87Å; T189-G191 VanDerWaalsContact O-N 3.13Å; T189-A192 PolarHBondContact O-N 3Å
190	I	97.7	Very high	94.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	117.4	176.6	-59.3	165.1	0	0	0	108.7	A41 G43 A47 V176 S178 L326 M330	A41-I190 WeakPolarHBondContact CB-O 3.38Å; G43-I190 VanDerWaalsContact C-CG2 3.43Å; A47-I190 HydrophobicContact CB-CD1 4.07Å; V176-I190 PolarHBondContact O-N 3.49Å; S178-I190 CarbonylContact C-O 3.57Å; S178-I190 PolarHBondContact N-O 2.86Å; S178-I190 VanDerWaalsContact O-O 3.08Å; I190-L326 HydrophobicContact CG1-CD2 4.04Å; I190-L326 HydrophobicContact CG1-CG 4.16Å; I190-M330 HydrophobicContact CD1-CB 4.48Å; I190-M330 HydrophobicContact CD1-SD 3.79Å; I190-M330 HydrophobicContact CG1-SD 3.77Å
191	G	97.4	Very high	94.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.9	-12.6	177.5	0	0	0	0	0	114.9	Q42 T189 S194 A195 D323	Q42-G191 WeakPolarHBondContact O-CA 3.38Å; Q42-G191 PolarHBondContact O-N 3.32Å; T189-G191 PolarHBondContact O-N 2.87Å; T189-G191 VanDerWaalsContact O-N 3.13Å; G191-S194 PolarHBondContact O-N 2.91Å; G191-A195 WeakPolarHBondContact O-CB 3.32Å; G191-A195 PolarHBondContact O-N 3.26Å; G191-D323 WeakPolarHBondContact CA-OD2 3.38Å; G191-D323 PolarHBondContact N-OD1 3.22Å; G191-D323 PolarHBondContact N-OD2 2.86Å
192	A	97.4	Very high	94.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.8	-41.5	178.7	0	0	0	0	0	111.9	N181 M188 T189 A195 L196	N181-A192 HydrophobicContact CB-CB 3.94Å; M188-A192 HydrophobicContact CG-CB 4.48Å; M188-A192 HydrophobicContact SD-CB 3.66Å; T189-A192 PolarHBondContact O-N 3Å; A192-A195 PolarHBondContact O-N 3.15Å; A192-L196 WeakPolarHBondContact O-CG 3.42Å; A192-L196 PolarHBondContact O-N 3.48Å
193	D	97.8	Very high	95.1	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.032	9%	0.085	C	C	.	.	H	α-helix	trans	-66.2	-44.2	176.9	-179.2	71	0	0	0	111.6	A195 L196 H197 S320 F322	D193-A195 VanDerWaalsContact C-N 3.3Å; D193-A195 PolarHBondContact O-N 2.88Å; D193-L196 WeakPolarHBondContact O-CA 3.47Å; D193-L196 WeakPolarHBondContact O-CB 3.45Å; D193-L196 PolarHBondContact O-N 2.9Å; D193-L196 VanDerWaalsContact O-N 3.08Å; D193-H197 PolarHBondContact O-CD2 3.47Å; D193-H197 PolarHBondContact O-N 3.49Å; D193-H197 IonicContact OD2-CD2 3.73Å; D193-H197 IonicContact OD2-NE2 3.91Å; D193-S320 WeakPolarHBondContact OD2-CB 3.4Å; D193-S320 PolarHBondContact OD2-OG 3.13Å; D193-F322 HydrophobicContact CB-CD1 3.7Å; D193-F322 HydrophobicContact CB-CE1 4.37Å; D193-F322 HydrophobicContact CB-CG 4.45Å
194	S	98.5	Very high	95.4	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	9%	0.09	C	C	.	.	H	α-helix	trans	-59	-41.2	174.8	-62.6	0	0	0	0	112.3	G191 H197 R198 P319 S320 D323	G191-S194 PolarHBondContact O-N 2.91Å; S194-H197 WeakPolarHBondContact O-CB 3.32Å; S194-H197 PolarHBondContact O-N 3.42Å; S194-R198 WeakPolarHBondContact O-CG 3.27Å; S194-R198 PolarHBondContact O-N 2.76Å; S194-R198 VanDerWaalsContact O-N 3.13Å; S194-P319 WeakPolarHBondContact OG-CA 3.27Å; S194-S320 PolarHBondContact OG-N 3.44Å; S194-D323 WeakPolarHBondContact CB-OD2 3.42Å; S194-D323 PolarHBondContact N-OD2 3.39Å; S194-D323 PolarHBondContact OG-OD2 3.45Å
195	A	98.4	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-41.5	174.7	0	0	0	0	0	111.8	I179 G191 A192 D193 H197 R198 I199 L229 Q314	I179-A195 HydrophobicContact CB-CB 3.72Å; I179-A195 HydrophobicContact CD1-CB 4.44Å; I179-A195 HydrophobicContact CG2-CB 3.93Å; G191-A195 WeakPolarHBondContact O-CB 3.32Å; G191-A195 PolarHBondContact O-N 3.26Å; A192-A195 PolarHBondContact O-N 3.15Å; D193-A195 VanDerWaalsContact C-N 3.3Å; D193-A195 PolarHBondContact O-N 2.88Å; A195-H197 VanDerWaalsContact C-N 3.31Å; A195-H197 PolarHBondContact O-N 2.96Å; A195-R198 WeakPolarHBondContact O-CB 3.34Å; A195-R198 PolarHBondContact O-N 2.87Å; A195-R198 VanDerWaalsContact O-N 3.11Å; A195-I199 WeakPolarHBondContact O-CD1 3.32Å; A195-I199 VanDerWaalsContact O-CG1 3.29Å; A195-I199 WeakPolarHBondContact O-CG1 3.45Å; A195-I199 PolarHBondContact O-N 3.44Å; A195-L229 HydrophobicContact CB-CD1 4.15Å; A195-L229 HydrophobicContact CB-CD2 4.01Å; A195-Q314 WeakPolarHBondContact CA-O 3.38Å; A195-Q314 WeakPolarHBondContact CB-O 3.4Å
196	L	98.2	Very high	96.1	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-58.6	-41.8	172.7	-70.8	170.5	0	0	0	111.9	A192 D193 R198 I199 I200 Y228 L229 V232 A233 P691	A192-L196 WeakPolarHBondContact O-CG 3.42Å; A192-L196 PolarHBondContact O-N 3.48Å; D193-L196 WeakPolarHBondContact O-CA 3.47Å; D193-L196 WeakPolarHBondContact O-CB 3.45Å; D193-L196 PolarHBondContact O-N 2.9Å; D193-L196 VanDerWaalsContact O-N 3.08Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.32Å; L196-I199 HydrophobicContact CD2-CD1 4.4Å; L196-I199 PolarHBondContact O-N 3.4Å; L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 3.16Å; L196-Y228 HydrophobicContact CD1-CE1 4.25Å; L196-L229 HydrophobicContact CD2-CD2 3.81Å; L196-L229 HydrophobicContact CG-CD2 3.75Å; L196-V232 HydrophobicContact CD1-CB 4.2Å; L196-V232 HydrophobicContact CD1-CG1 3.69Å; L196-V232 HydrophobicContact CD2-CB 3.96Å; L196-V232 HydrophobicContact CD2-CG1 4.04Å; L196-A233 HydrophobicContact CD2-CB 4.25Å; L196-P691 HydrophobicContact CB-CB 3.94Å; L196-P691 HydrophobicContact CB-CG 4.09Å
197	H	98.2	Very high	96.2	Very high	34 Å²	34	21.4 Å²	21.4	16%	0.157	12%	0.118	C	C	.	.	H	α-helix	trans	-58	-42.6	174.3	-87.1	-97.5	0	0	0	111.9	D193 S194 A195 E201 P691	D193-H197 PolarHBondContact O-CD2 3.47Å; D193-H197 PolarHBondContact O-N 3.49Å; D193-H197 IonicContact OD2-CD2 3.73Å; D193-H197 IonicContact OD2-NE2 3.91Å; S194-H197 WeakPolarHBondContact O-CB 3.32Å; S194-H197 PolarHBondContact O-N 3.42Å; A195-H197 VanDerWaalsContact C-N 3.31Å; A195-H197 PolarHBondContact O-N 2.96Å; H197-E201 WeakPolarHBondContact O-CB 3.3Å; H197-E201 PolarHBondContact O-N 3.02Å; H197-P691 HydrophobicContact CB-CG 4.33Å; H197-P691 VanDerWaalsContact CE1-CD 3.47Å; H197-P691 WeakPolarHBondContact CE1-CD 3.45Å; H197-P691 WeakPolarHBondContact NE2-CD 3.42Å
198	R	98.1	Very high	96.3	Very high	70 Å²	70	23.5 Å²	23.5	26%	0.264	13%	0.132	S	C	.	.	H	α-helix	trans	-66.4	-40.5	177.6	-59.8	-62.4	90.3	-151	-5.4	112.1	S194 A195 L196 E201 A202 V313	S194-R198 WeakPolarHBondContact O-CG 3.27Å; S194-R198 PolarHBondContact O-N 2.76Å; S194-R198 VanDerWaalsContact O-N 3.13Å; A195-R198 WeakPolarHBondContact O-CB 3.34Å; A195-R198 PolarHBondContact O-N 2.87Å; A195-R198 VanDerWaalsContact O-N 3.11Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-R198 PolarHBondContact O-N 3.32Å; R198-E201 IonicContact CZ-OE2 3.71Å; R198-E201 VanDerWaalsContact NH1-CD 3.34Å; R198-E201 IonicContact NH1-OE1 3.45Å; R198-E201 PolarHBondContact NH1-OE1 3.37Å; R198-E201 IonicContact NH1-OE2 2.81Å; R198-E201 PolarHBondContact NH1-OE2 3.39Å; R198-E201 IonicContact NH2-OE2 3.34Å; R198-E201 PolarHBondContact NH2-OE2 3.21Å; R198-A202 WeakPolarHBondContact O-CB 3.3Å; R198-A202 PolarHBondContact O-N 3.34Å; R198-A202 VanDerWaalsContact O-N 3.1Å; R198-V313 VanDerWaalsContact CG-O 3.26Å; R198-V313 WeakPolarHBondContact CG-O 2.99Å
199	I	98.3	Very high	96.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-47	178	-64.1	157.6	0	0	0	110.5	A195 L196 A202 T203 V221 L229 A233 M275 L310 Q314	A195-I199 WeakPolarHBondContact O-CD1 3.32Å; A195-I199 VanDerWaalsContact O-CG1 3.29Å; A195-I199 WeakPolarHBondContact O-CG1 3.45Å; A195-I199 PolarHBondContact O-N 3.44Å; L196-I199 HydrophobicContact CD2-CD1 4.4Å; L196-I199 PolarHBondContact O-N 3.4Å; I199-A202 PolarHBondContact O-N 3.35Å; I199-T203 WeakPolarHBondContact O-CB 3.1Å; I199-T203 PolarHBondContact O-N 2.86Å; I199-T203 PolarHBondContact O-OG1 3.03Å; I199-V221 HydrophobicContact CD1-CG1 3.45Å; I199-V221 VanDerWaalsContact CD1-CG1 3.45Å; I199-V221 HydrophobicContact CG1-CG1 4.07Å; I199-V221 HydrophobicContact CG2-CG2 4.21Å; I199-L229 HydrophobicContact CD1-CB 3.92Å; I199-L229 HydrophobicContact CD1-CD1 4.25Å; I199-L229 HydrophobicContact CD1-CD2 4.19Å; I199-L229 HydrophobicContact CD1-CG 4.36Å; I199-A233 HydrophobicContact CB-CB 4.45Å; I199-A233 HydrophobicContact CG2-CB 3.57Å; I199-M275 HydrophobicContact CG2-CE 4.36Å; I199-L310 HydrophobicContact CB-CD1 4.27Å; I199-L310 HydrophobicContact CG1-CD1 4.06Å; I199-L310 HydrophobicContact CG2-CD1 4.1Å; I199-Q314 HydrophobicContact CG1-CG 3.93Å
200	I	97.6	Very high	96.1	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-67.6	-40.7	-179	-66.1	-56.4	0	0	0	111.6	L196 A202 T203 D204 A233 A236 C237 P691	L196-I200 WeakPolarHBondContact O-CG1 3.44Å; L196-I200 PolarHBondContact O-N 3.16Å; I200-A202 PolarHBondContact O-N 3.45Å; I200-T203 PolarHBondContact O-N 3.19Å; I200-D204 WeakPolarHBondContact O-CB 3.24Å; I200-D204 VanDerWaalsContact O-CG 3.28Å; I200-D204 PolarHBondContact O-N 3.21Å; I200-A233 HydrophobicContact CD1-CB 4.37Å; I200-A236 HydrophobicContact CD1-CB 3.78Å; I200-A236 HydrophobicContact CG1-CB 4.33Å; I200-C237 HydrophobicContact CD1-CB 3.91Å; I200-P691 HydrophobicContact CB-CG 4.18Å; I200-P691 HydrophobicContact CG1-CB 4.01Å; I200-P691 HydrophobicContact CG1-CG 3.87Å
201	E	96.5	Very high	95.7	Very high	104 Å²	104	29.7 Å²	29.7	49%	0.486	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-47.9	174.1	-177.5	-179.8	139.1	0	0	111.8	H197 R198 T203 D204 A205	H197-E201 WeakPolarHBondContact O-CB 3.3Å; H197-E201 PolarHBondContact O-N 3.02Å; R198-E201 IonicContact CZ-OE2 3.71Å; R198-E201 VanDerWaalsContact NH1-CD 3.34Å; R198-E201 IonicContact NH1-OE1 3.45Å; R198-E201 PolarHBondContact NH1-OE1 3.37Å; R198-E201 IonicContact NH1-OE2 2.81Å; R198-E201 PolarHBondContact NH1-OE2 3.39Å; R198-E201 IonicContact NH2-OE2 3.34Å; R198-E201 PolarHBondContact NH2-OE2 3.21Å; E201-T203 PolarHBondContact O-N 3.3Å; E201-D204 PolarHBondContact O-N 2.66Å; E201-A205 WeakPolarHBondContact O-CB 3.25Å; E201-A205 PolarHBondContact O-N 2.96Å
202	A	96.8	Very high	95.4	Very high	22 Å²	22	33.6 Å²	33.6	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-41.2	177.7	0	0	0	0	0	111.9	R198 I199 I200 A205 I206 L310	R198-A202 WeakPolarHBondContact O-CB 3.3Å; R198-A202 PolarHBondContact O-N 3.34Å; R198-A202 VanDerWaalsContact O-N 3.1Å; I199-A202 PolarHBondContact O-N 3.35Å; I200-A202 PolarHBondContact O-N 3.45Å; A202-A205 PolarHBondContact O-N 3Å; A202-I206 WeakPolarHBondContact O-CB 3.36Å; A202-I206 WeakPolarHBondContact O-CD1 3.18Å; A202-I206 WeakPolarHBondContact O-CG1 3.38Å; A202-I206 PolarHBondContact O-N 3.34Å; A202-L310 HydrophobicContact CB-CD1 4.3Å; A202-L310 HydrophobicContact CB-CD2 3.57Å
203	T	96.1	Very high	95.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-43.3	179.3	-56.1	0	0	0	0	111.6	I199 I200 E201 I206 S207 L219 C237 I273 M275	I199-T203 WeakPolarHBondContact O-CB 3.1Å; I199-T203 PolarHBondContact O-N 2.86Å; I199-T203 PolarHBondContact O-OG1 3.03Å; I200-T203 PolarHBondContact O-N 3.19Å; E201-T203 PolarHBondContact O-N 3.3Å; T203-I206 PolarHBondContact O-N 3.02Å; T203-S207 WeakPolarHBondContact O-CB 3.17Å; T203-S207 PolarHBondContact O-N 2.73Å; T203-S207 PolarHBondContact O-OG 3.14Å; T203-L219 HydrophobicContact CG2-CD1 3.88Å; T203-L219 WeakPolarHBondContact OG1-CD1 3.46Å; T203-C237 HydrophobicContact CG2-CB 3.71Å; T203-I273 HydrophobicContact CG2-CG2 4.28Å; T203-M275 HydrophobicContact CG2-CE 3.89Å; T203-M275 WeakPolarHBondContact OG1-CE 3.3Å
204	D	94.8	Very high	94.7	Very high	22 Å²	22	43.3 Å²	43.3	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-41.5	177.1	-69.4	-13.2	0	0	0	111	I200 E201 I206 S207 T208 R688 R694	I200-D204 WeakPolarHBondContact O-CB 3.24Å; I200-D204 VanDerWaalsContact O-CG 3.28Å; I200-D204 PolarHBondContact O-N 3.21Å; E201-D204 PolarHBondContact O-N 2.66Å; D204-I206 VanDerWaalsContact C-N 3.34Å; D204-I206 PolarHBondContact O-N 3.5Å; D204-S207 WeakPolarHBondContact O-CB 3.42Å; D204-S207 PolarHBondContact O-N 3.46Å; D204-T208 PolarHBondContact O-N 3.22Å; D204-R688 IonicContact OD2-NH1 2.76Å; D204-R694 IonicContact OD1-CZ 2.99Å; D204-R694 IonicContact OD1-NH1 2.73Å; D204-R694 PolarHBondContact OD1-NH1 3.48Å; D204-R694 IonicContact OD1-NH2 2.91Å; D204-R694 IonicContact OD2-CZ 3.03Å; D204-R694 IonicContact OD2-NH1 3.52Å; D204-R694 PolarHBondContact OD2-NH1 3.2Å; D204-R694 IonicContact OD2-NH2 2.9Å; D204-R694 PolarHBondContact OD2-NH2 2.88Å
205	A	94.6	Very high	94.5	Very high	57 Å²	57	45.8 Å²	45.8	47%	0.471	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-45.9	175.6	0	0	0	0	0	111.2	E201 A202 S207 T208	E201-A205 WeakPolarHBondContact O-CB 3.25Å; E201-A205 PolarHBondContact O-N 2.96Å; A202-A205 PolarHBondContact O-N 3Å; A205-S207 VanDerWaalsContact C-N 3.33Å; A205-S207 PolarHBondContact O-N 2.9Å; A205-T208 PolarHBondContact O-N 2.91Å; A205-T208 PolarHBondContact O-OG1 3.37Å
206	I	94.6	Very high	94.4	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.108	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-37.8	177.6	-70	166.7	0	0	0	111.5	A202 T203 D204 T208 T209 A210 F217 L219 T308	A202-I206 WeakPolarHBondContact O-CB 3.36Å; A202-I206 WeakPolarHBondContact O-CD1 3.18Å; A202-I206 WeakPolarHBondContact O-CG1 3.38Å; A202-I206 PolarHBondContact O-N 3.34Å; T203-I206 PolarHBondContact O-N 3.02Å; D204-I206 VanDerWaalsContact C-N 3.34Å; D204-I206 PolarHBondContact O-N 3.5Å; I206-T208 PolarHBondContact O-N 2.72Å; I206-T209 WeakPolarHBondContact O-CG2 3.5Å; I206-T209 PolarHBondContact O-N 3.42Å; I206-A210 VanDerWaalsContact O-CB 3.31Å; I206-A210 WeakPolarHBondContact O-CB 3.15Å; I206-A210 PolarHBondContact O-N 3.22Å; I206-F217 HydrophobicContact CG2-CB 3.88Å; I206-F217 HydrophobicContact CG2-CD1 3.34Å; I206-F217 HydrophobicContact CG2-CD2 3.84Å; I206-F217 HydrophobicContact CG2-CE1 3.7Å; I206-F217 HydrophobicContact CG2-CE2 4.17Å; I206-F217 HydrophobicContact CG2-CG 3.4Å; I206-F217 HydrophobicContact CG2-CZ 4.1Å; I206-L219 HydrophobicContact CD1-CD2 3.39Å; I206-L219 HydrophobicContact CG2-CD2 4.45Å; I206-T308 HydrophobicContact CD1-CG2 3.89Å
207	S	91.3	Very high	94.3	Very high	37 Å²	37	46.2 Å²	46.2	26%	0.259	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-34.4	-178.8	-65.2	0	0	0	0	112.4	T203 D204 A205 A210 H211	T203-S207 WeakPolarHBondContact O-CB 3.17Å; T203-S207 PolarHBondContact O-N 2.73Å; T203-S207 PolarHBondContact O-OG 3.14Å; D204-S207 WeakPolarHBondContact O-CB 3.42Å; D204-S207 PolarHBondContact O-N 3.46Å; A205-S207 VanDerWaalsContact C-N 3.33Å; A205-S207 PolarHBondContact O-N 2.9Å; S207-A210 PolarHBondContact O-N 3.08Å; S207-H211 VanDerWaalsContact O-CB 3.3Å; S207-H211 WeakPolarHBondContact O-CB 3.19Å; S207-H211 PolarHBondContact O-N 3.2Å
208	T	90.9	Very high	94.3	Very high	82 Å²	82	44.6 Å²	44.6	50%	0.503	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-45.8	177.7	66	0	0	0	0	113	D204 A205 I206 S212	D204-T208 PolarHBondContact O-N 3.22Å; A205-T208 PolarHBondContact O-N 2.91Å; A205-T208 PolarHBondContact O-OG1 3.37Å; I206-T208 PolarHBondContact O-N 2.72Å; T208-S212 PolarHBondContact O-N 2.97Å; T208-S212 PolarHBondContact O-OG 2.94Å
209	T	93.1	Very high	94.3	Very high	54 Å²	54	41.2 Å²	41.2	33%	0.331	23%	0.227	S	C	.	.	H	α-helix	trans	-73.4	-35.4	176.9	-174.9	0	0	0	0	111.7	I206 H211 S212 H213 F217	I206-T209 WeakPolarHBondContact O-CG2 3.5Å; I206-T209 PolarHBondContact O-N 3.42Å; T209-H211 VanDerWaalsContact C-N 3.31Å; T209-H211 PolarHBondContact O-N 3.3Å; T209-S212 PolarHBondContact O-N 3.07Å; T209-H213 PolarHBondContact O-CD2 2.72Å; T209-H213 PolarHBondContact O-N 3.48Å; T209-F217 HydrophobicContact CG2-CZ 4.06Å
210	A	91.1	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-41.6	175	0	0	0	0	0	111.7	I206 S207 S212 H213 Q214 R215 F217 V271	I206-A210 VanDerWaalsContact O-CB 3.31Å; I206-A210 WeakPolarHBondContact O-CB 3.15Å; I206-A210 PolarHBondContact O-N 3.22Å; S207-A210 PolarHBondContact O-N 3.08Å; A210-S212 VanDerWaalsContact C-N 3.34Å; A210-H213 PolarHBondContact O-N 2.96Å; A210-Q214 WeakPolarHBondContact O-CA 3.33Å; A210-Q214 PolarHBondContact O-N 3.14Å; A210-R215 PolarHBondContact O-N 3.44Å; A210-F217 HydrophobicContact CB-CD2 3.42Å; A210-F217 VanDerWaalsContact CB-CD2 3.42Å; A210-F217 HydrophobicContact CB-CE2 3.44Å; A210-F217 VanDerWaalsContact CB-CE2 3.44Å; A210-V271 HydrophobicContact CB-CB 4.35Å; A210-V271 HydrophobicContact CB-CG1 3.61Å; A210-V271 HydrophobicContact CB-CG2 3.92Å
211	H	89.9	Confident	94.4	Very high	103 Å²	103	43.7 Å²	43.7	48%	0.477	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-39.3	178.8	-176	-90.2	0	0	0	112.2	S207 T209 R270 V271	S207-H211 VanDerWaalsContact O-CB 3.3Å; S207-H211 WeakPolarHBondContact O-CB 3.19Å; S207-H211 PolarHBondContact O-N 3.2Å; T209-H211 VanDerWaalsContact C-N 3.31Å; T209-H211 PolarHBondContact O-N 3.3Å; H211-R270 WeakPolarHBondContact NE2-CD 3.5Å; H211-R270 PolarHBondContact O-NE 3.47Å; H211-R270 PolarHBondContact O-NH2 3.27Å; H211-V271 HydrophobicContact CB-CG2 3.64Å
212	S	91.6	Very high	94.5	Very high	82 Å²	82	39.5 Å²	39.5	57%	0.573	22%	0.219	S	C	*	.	H	α-helix	trans	-63	-43.5	179.5	-59.8	0	0	0	0	111.7	T208 T209 A210	T208-S212 PolarHBondContact O-N 2.97Å; T208-S212 PolarHBondContact O-OG 2.94Å; T209-S212 PolarHBondContact O-N 3.07Å; A210-S212 VanDerWaalsContact C-N 3.34Å
213	H	90.4	Very high	94.4	Very high	107 Å²	107	38.5 Å²	38.5	50%	0.495	21%	0.211	S	C	.	.	H	α-helix	trans	-99.3	4.4	-176.3	-66.3	-70	0	0	0	115.2	T209 A210 R215	T209-H213 PolarHBondContact O-CD2 2.72Å; T209-H213 PolarHBondContact O-N 3.48Å; A210-H213 PolarHBondContact O-N 2.96Å; H213-R215 VanDerWaalsContact C-N 3.33Å; H213-R215 HydrophobicContact CB-CG 3.68Å; H213-R215 PolarHBondContact CD2-NH1 3.42Å; H213-R215 PolarHBondContact O-N 3.22Å
214	Q	90.3	Very high	94.2	Very high	102 Å²	102	43.1 Å²	43.1	48%	0.477	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	46	-175.2	-52.6	-177.2	39.2	0	0	113	A210 R265 R270	A210-Q214 WeakPolarHBondContact O-CA 3.33Å; A210-Q214 PolarHBondContact O-N 3.14Å; Q214-R265 PolarHBondContact O-NH1 3.44Å; Q214-R270 CarbonylContact C-O 3.45Å; Q214-R270 WeakPolarHBondContact CA-O 3.35Å; Q214-R270 VanDerWaalsContact CD-NH1 3.27Å; Q214-R270 HydrophobicContact CG-CB 4.28Å; Q214-R270 HydrophobicContact CG-CG 4.39Å; Q214-R270 VanDerWaalsContact CG-NH2 3.26Å
215	R	93.4	Very high	94.1	Very high	54 Å²	54	48.3 Å²	48.3	20%	0.204	25%	0.252	C	S	.	.			trans	-96.3	162.1	-170.7	-76.4	177.7	175.3	153.2	4.5	113.7	A210 H213 F217 R265 N272 D304	A210-R215 PolarHBondContact O-N 3.44Å; H213-R215 VanDerWaalsContact C-N 3.33Å; H213-R215 HydrophobicContact CB-CG 3.68Å; H213-R215 PolarHBondContact CD2-NH1 3.42Å; H213-R215 PolarHBondContact O-N 3.22Å; R215-F217 HydrophobicContact CB-CD2 4.02Å; R215-F217 HydrophobicContact CB-CE2 3.66Å; R215-R265 PolarHBondContact O-NH2 2.86Å; R215-N272 PolarHBondContact O-N 3.01Å; R215-D304 WeakPolarHBondContact CA-O 3.41Å; R215-D304 WeakPolarHBondContact CB-O 3.35Å; R215-D304 HydrophobicContact CG-CB 4.1Å; R215-D304 IonicContact CZ-OD2 2.68Å; R215-D304 IonicContact NE-OD2 3.57Å; R215-D304 PolarHBondContact NE-OD2 3.37Å; R215-D304 IonicContact NH2-OD2 3.44Å; R215-D304 PolarHBondContact NH2-OD2 2.82Å
216	C	96.3	Very high	94.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.3	162.1	-178.7	0	0	0	0	109.1	N272 D304 T305 R306	C216-N272 CarbonylContact C-O 3.6Å; C216-N272 WeakPolarHBondContact CA-O 3.46Å; C216-N272 HydrophobicContact CB-CB 4.28Å; C216-D304 PolarHBondContact N-O 2.77Å; C216-T305 HydrophobicContact CB-CG2 4.11Å; C216-T305 CarbonylContact O-C 3.59Å; C216-T305 VanDerWaalsContact O-CA 3.27Å; C216-T305 WeakPolarHBondContact O-CA 3.44Å; C216-R306 PolarHBondContact O-N 3.11Å
217	F	97.3	Very high	94.3	Very high	14 Å²	14	44.7 Å²	44.7	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.8	174.2	-81.9	-98.5	0	0	0	110.3	I206 T209 A210 R215 L219 N272 I273 I274 R306	I206-F217 HydrophobicContact CG2-CB 3.88Å; I206-F217 HydrophobicContact CG2-CD1 3.34Å; I206-F217 HydrophobicContact CG2-CD2 3.84Å; I206-F217 HydrophobicContact CG2-CE1 3.7Å; I206-F217 HydrophobicContact CG2-CE2 4.17Å; I206-F217 HydrophobicContact CG2-CG 3.4Å; I206-F217 HydrophobicContact CG2-CZ 4.1Å; T209-F217 HydrophobicContact CG2-CZ 4.06Å; A210-F217 HydrophobicContact CB-CD2 3.42Å; A210-F217 VanDerWaalsContact CB-CD2 3.42Å; A210-F217 HydrophobicContact CB-CE2 3.44Å; A210-F217 VanDerWaalsContact CB-CE2 3.44Å; R215-F217 HydrophobicContact CB-CD2 4.02Å; R215-F217 HydrophobicContact CB-CE2 3.66Å; F217-L219 HydrophobicContact CB-CD2 4.42Å; F217-N272 PolarHBondContact N-O 3.27Å; F217-I273 HydrophobicContact CB-CD1 3.99Å; F217-I273 WeakPolarHBondContact O-CA 3.03Å; F217-I274 PolarHBondContact O-N 3.41Å; F217-R306 WeakPolarHBondContact CA-O 3.36Å; F217-R306 HydrophobicContact CD1-CB 3.88Å; F217-R306 HydrophobicContact CE1-CB 3.68Å; F217-R306 HydrophobicContact CE1-CG 4.33Å; F217-R306 HydrophobicContact CZ-CB 4.17Å; F217-R306 HydrophobicContact CZ-CG 4.38Å
218	I	98.2	Very high	94.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.9	172.4	-58.6	162.3	0	0	0	106.7	I274 V276 C290 V293 K294 I297 T305 R306 I307 T308	I218-I274 CarbonylContact C-O 3.44Å; I218-I274 WeakPolarHBondContact CA-O 3.12Å; I218-I274 HydrophobicContact CG1-CB 4.23Å; I218-I274 HydrophobicContact CG1-CD1 4.32Å; I218-V276 HydrophobicContact CG2-CG2 3.6Å; I218-C290 HydrophobicContact CG2-CB 3.91Å; I218-V293 HydrophobicContact CD1-CB 4.02Å; I218-V293 HydrophobicContact CD1-CG1 3.78Å; I218-V293 HydrophobicContact CG1-CG1 4.2Å; I218-K294 VanDerWaalsContact CD1-CA 3.45Å; I218-K294 HydrophobicContact CD1-CB 3.64Å; I218-K294 VanDerWaalsContact CD1-N 3.32Å; I218-I297 HydrophobicContact CD1-CD1 4.29Å; I218-T305 HydrophobicContact CD1-CG2 3.62Å; I218-T305 HydrophobicContact CG1-CG2 4.05Å; I218-R306 PolarHBondContact N-O 3.49Å; I218-I307 HydrophobicContact CB-CG1 4.25Å; I218-I307 HydrophobicContact CD1-CG1 4.34Å; I218-I307 CarbonylContact O-C 3.44Å; I218-I307 WeakPolarHBondContact O-CA 3.33Å; I218-T308 PolarHBondContact O-N 2.9Å
219	L	98.1	Very high	94.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.9	-176.2	-57	-178.3	0	0	0	109.1	T203 I206 F217 I273 I274 M275 V276 T308	T203-L219 HydrophobicContact CG2-CD1 3.88Å; T203-L219 WeakPolarHBondContact OG1-CD1 3.46Å; I206-L219 HydrophobicContact CD1-CD2 3.39Å; I206-L219 HydrophobicContact CG2-CD2 4.45Å; F217-L219 HydrophobicContact CB-CD2 4.42Å; L219-I273 HydrophobicContact CD1-CG2 3.87Å; L219-I273 HydrophobicContact CG-CG2 4.41Å; L219-I274 PolarHBondContact N-O 3.27Å; L219-M275 HydrophobicContact CB-SD 3.71Å; L219-M275 HydrophobicContact CD1-CE 3.66Å; L219-M275 HydrophobicContact CD1-SD 3.97Å; L219-M275 HydrophobicContact CG-SD 4.37Å; L219-V276 PolarHBondContact O-N 2.85Å; L219-T308 WeakPolarHBondContact CA-O 3.33Å
220	E	98.6	Very high	95.1	Very high	54 Å²	54	37 Å²	37	25%	0.252	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.4	173.5	-160.9	175.9	107.7	0	0	109.8	V276 C290 T308 V309 L310	E220-V276 WeakPolarHBondContact CA-O 3.46Å; E220-C290 PolarHBondContact OE2-SG 3.03Å; E220-T308 PolarHBondContact N-O 3.05Å; E220-V309 HydrophobicContact CB-CB 4.28Å; E220-V309 HydrophobicContact CB-CG1 4.22Å; E220-V309 HydrophobicContact CB-CG2 4Å; E220-L310 PolarHBondContact O-N 3.3Å
221	V	98.3	Very high	95.4	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.3	-173.3	179.8	0	0	0	0	109.1	I199 L229 A230 M275 V276 A277 E278 L310	I199-V221 HydrophobicContact CD1-CG1 3.45Å; I199-V221 VanDerWaalsContact CD1-CG1 3.45Å; I199-V221 HydrophobicContact CG1-CG1 4.07Å; I199-V221 HydrophobicContact CG2-CG2 4.21Å; V221-L229 HydrophobicContact CG1-CB 3.79Å; V221-A230 HydrophobicContact CB-CB 4.3Å; V221-A230 HydrophobicContact CG1-CB 4.4Å; V221-M275 HydrophobicContact CG2-SD 3.73Å; V221-V276 PolarHBondContact N-O 3.39Å; V221-A277 CarbonylContact O-C 3.53Å; V221-E278 PolarHBondContact O-N 3.14Å; V221-L310 HydrophobicContact CG2-CD1 4.46Å
222	M	98.2	Very high	95.7	Very high	17 Å²	17	32.4 Å²	32.4	8%	0.084	15%	0.154	C	C	.	.			trans	-69.4	168.5	177.2	-75.3	-176.8	105.4	0	0	111.3	I179 L229 E278 Q314 R315	I179-M222 HydrophobicContact CD1-CB 3.96Å; I179-M222 HydrophobicContact CD1-SD 4.12Å; M222-L229 WeakPolarHBondContact O-CD1 3.36Å; M222-E278 WeakPolarHBondContact CA-OE1 3.36Å; M222-Q314 VanDerWaalsContact CG-NE2 3.34Å; M222-Q314 HydrophobicContact SD-CB 4.36Å; M222-R315 HydrophobicContact SD-CG 4.41Å
223	G	95.2	Very high	96	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	13%	0.127	C	C	.	.			trans	154.8	2.8	178.5	0	0	0	0	0	113.4	D180 H225 C226 E278	D180-G223 VanDerWaalsContact OD1-CA 3.24Å; D180-G223 WeakPolarHBondContact OD1-CA 3.38Å; G223-H225 PolarHBondContact O-N 3.27Å; G223-C226 CarbonylContact C-O 3.5Å; G223-C226 WeakPolarHBondContact CA-O 3.31Å; G223-C226 WeakPolarHBondContact O-CA 3.42Å; G223-C226 WeakPolarHBondContact O-CB 3.46Å; G223-C226 PolarHBondContact O-N 2.9Å; G223-E278 PolarHBondContact N-OE1 3.45Å
224	R	92.8	Very high	96.2	Very high	98 Å²	98	23.5 Å²	23.5	37%	0.37	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	-96.4	-173.9	-174.7	-166.1	-73	163.2	-12.3	111.7	D133 D182 E278 G279	D133-R224 IonicContact OD1-CZ 3.98Å; D133-R224 IonicContact OD1-NH1 2.7Å; D133-R224 PolarHBondContact OD1-NH1 3.42Å; D133-R224 IonicContact OD2-NH1 3.37Å; D182-R224 IonicContact OD2-NH1 3.92Å; D182-R224 PolarHBondContact OD2-NH1 2.95Å; R224-E278 VanDerWaalsContact CA-OE1 3.26Å; R224-E278 WeakPolarHBondContact CA-OE1 3.37Å; R224-E278 PolarHBondContact N-OE1 3Å; R224-G279 VanDerWaalsContact O-CA 3.24Å; R224-G279 WeakPolarHBondContact O-CA 3.24Å; R224-G279 PolarHBondContact O-N 3.08Å
225	H	92.3	Very high	96.3	Very high	131 Å²	131	19 Å²	19	61%	0.606	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.1	18.1	178	-58.8	-49.5	0	0	0	111.1	G223 P245 R390	G223-H225 PolarHBondContact O-N 3.27Å; H225-P245 WeakPolarHBondContact O-CG 3.34Å; H225-R390 PolarHBondContact O-NH2 3.27Å
226	C	95.5	Very high	96.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	7%	0.073	C	C	.	.			trans	-119.4	130.9	176.6	-168.1	0	0	0	0	111.5	D182 G223 Y228 E246 R390	D182-C226 HydrophobicContact CB-CB 3.68Å; G223-C226 CarbonylContact C-O 3.5Å; G223-C226 WeakPolarHBondContact CA-O 3.31Å; G223-C226 WeakPolarHBondContact O-CA 3.42Å; G223-C226 WeakPolarHBondContact O-CB 3.46Å; G223-C226 PolarHBondContact O-N 2.9Å; C226-Y228 VanDerWaalsContact C-N 3.32Å; C226-Y228 PolarHBondContact SG-N 3.34Å; C226-E246 VanDerWaalsContact CA-OE1 3.22Å; C226-E246 WeakPolarHBondContact CA-OE1 3.36Å; C226-E246 PolarHBondContact SG-OE1 2.93Å; C226-R390 VanDerWaalsContact SG-CZ 3.56Å
227	G	96.8	Very high	96.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.08	C	C	.	.			trans	-85.4	5.7	176.4	0	0	0	0	0	114.9	L229 A230 L231 I244 E246	G227-L229 PolarHBondContact O-N 2.92Å; G227-A230 PolarHBondContact O-N 3.06Å; G227-L231 WeakPolarHBondContact O-CB 3.42Å; G227-L231 PolarHBondContact O-N 2.84Å; G227-I244 WeakPolarHBondContact O-CG2 3.4Å; G227-E246 WeakPolarHBondContact CA-OE2 3.39Å; G227-E246 PolarHBondContact N-OE1 3.2Å; G227-E246 PolarHBondContact N-OE2 3.2Å
228	Y	97.1	Very high	95.7	Very high	11 Å²	11	18.6 Å²	18.6	4%	0.043	9%	0.085	C	C	.	.	H	α-helix	trans	-56	-50.9	-171.4	179.7	-91.8	0	0	0	112.4	N181 M188 L196 C226 L231 V232 F394	N181-Y228 HydrophobicContact CB-CD1 3.54Å; N181-Y228 HydrophobicContact CB-CD2 4.41Å; N181-Y228 HydrophobicContact CB-CE1 4.02Å; N181-Y228 HydrophobicContact CB-CG 3.78Å; N181-Y228 WeakPolarHBondContact ND2-CD2 3.39Å; N181-Y228 WeakPolarHBondContact ND2-CE1 3.44Å; N181-Y228 WeakPolarHBondContact ND2-CE2 3.23Å; M188-Y228 WeakPolarHBondContact CE-OH 3.46Å; M188-Y228 HydrophobicContact SD-CE1 4.17Å; L196-Y228 HydrophobicContact CD1-CE1 4.25Å; C226-Y228 VanDerWaalsContact C-N 3.32Å; C226-Y228 PolarHBondContact SG-N 3.34Å; Y228-L231 PolarHBondContact O-N 2.82Å; Y228-V232 HydrophobicContact CD1-CG2 4.36Å; Y228-V232 HydrophobicContact CD2-CG2 4.24Å; Y228-V232 HydrophobicContact CE1-CG2 3.99Å; Y228-V232 HydrophobicContact CE2-CG2 3.88Å; Y228-V232 HydrophobicContact CG-CG2 4.47Å; Y228-V232 WeakPolarHBondContact O-CG2 3.43Å; Y228-V232 PolarHBondContact O-N 3.04Å; Y228-F394 HydrophobicContact CD2-CD2 4.02Å
229	L	98	Very high	95.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-49.6	179.7	-71.2	-179.9	0	0	0	111.5	I179 A195 L196 I199 V221 M222 G227 L231 A233	I179-L229 HydrophobicContact CB-CD1 4.44Å; I179-L229 HydrophobicContact CD1-CD1 4.26Å; I179-L229 HydrophobicContact CG1-CD1 4.39Å; I179-L229 WeakPolarHBondContact O-CD1 3.35Å; I179-L229 WeakPolarHBondContact O-CD2 3.47Å; I179-L229 WeakPolarHBondContact O-CG 3.46Å; A195-L229 HydrophobicContact CB-CD1 4.15Å; A195-L229 HydrophobicContact CB-CD2 4.01Å; L196-L229 HydrophobicContact CD2-CD2 3.81Å; L196-L229 HydrophobicContact CG-CD2 3.75Å; I199-L229 HydrophobicContact CD1-CB 3.92Å; I199-L229 HydrophobicContact CD1-CD1 4.25Å; I199-L229 HydrophobicContact CD1-CD2 4.19Å; I199-L229 HydrophobicContact CD1-CG 4.36Å; V221-L229 HydrophobicContact CG1-CB 3.79Å; M222-L229 WeakPolarHBondContact O-CD1 3.36Å; G227-L229 PolarHBondContact O-N 2.92Å; L229-L231 VanDerWaalsContact C-N 3.34Å; L229-L231 PolarHBondContact O-N 2.9Å; L229-A233 WeakPolarHBondContact O-CB 3.27Å; L229-A233 PolarHBondContact O-N 3.25Å
230	A	97.9	Very high	95.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.1	-41	179	0	0	0	0	0	112.1	V221 G227 S234 V242 I244 A277	V221-A230 HydrophobicContact CB-CB 4.3Å; V221-A230 HydrophobicContact CG1-CB 4.4Å; G227-A230 PolarHBondContact O-N 3.06Å; A230-S234 WeakPolarHBondContact O-CB 3.47Å; A230-S234 PolarHBondContact O-N 2.72Å; A230-S234 PolarHBondContact O-OG 2.79Å; A230-V242 HydrophobicContact CB-CG2 3.89Å; A230-I244 HydrophobicContact CB-CG2 4.04Å; A230-A277 HydrophobicContact CB-CB 3.89Å
231	L	97.3	Very high	95	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-52.1	179	174.1	61.6	0	0	0	111.8	G227 Y228 L229 S234 M235 I244 F394 N397 L398 Y401	G227-L231 WeakPolarHBondContact O-CB 3.42Å; G227-L231 PolarHBondContact O-N 2.84Å; Y228-L231 PolarHBondContact O-N 2.82Å; L229-L231 VanDerWaalsContact C-N 3.34Å; L229-L231 PolarHBondContact O-N 2.9Å; L231-S234 WeakPolarHBondContact O-CB 3.47Å; L231-S234 PolarHBondContact O-N 2.73Å; L231-M235 PolarHBondContact O-N 2.92Å; L231-M235 VanDerWaalsContact O-N 3.13Å; L231-I244 HydrophobicContact CB-CG2 4.44Å; L231-F394 HydrophobicContact CD2-CE1 4.22Å; L231-F394 HydrophobicContact CD2-CE2 4.29Å; L231-F394 HydrophobicContact CD2-CZ 4.05Å; L231-N397 HydrophobicContact CD2-CB 3.75Å; L231-N397 HydrophobicContact CG-CB 4.18Å; L231-L398 HydrophobicContact CD1-CD1 4.26Å; L231-L398 HydrophobicContact CD2-CB 4.16Å; L231-L398 HydrophobicContact CD2-CD1 4.43Å; L231-Y401 VanDerWaalsContact CD1-CB 3.47Å; L231-Y401 HydrophobicContact CD1-CD1 4.15Å; L231-Y401 HydrophobicContact CD1-CD2 4.44Å; L231-Y401 HydrophobicContact CD1-CG 3.75Å
232	V	96.5	Very high	95	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-70	-40.4	-178.1	178	0	0	0	0	110.8	L196 Y228 S234 M235 A236	L196-V232 HydrophobicContact CD1-CB 4.2Å; L196-V232 HydrophobicContact CD1-CG1 3.69Å; L196-V232 HydrophobicContact CD2-CB 3.96Å; L196-V232 HydrophobicContact CD2-CG1 4.04Å; Y228-V232 HydrophobicContact CD1-CG2 4.36Å; Y228-V232 HydrophobicContact CD2-CG2 4.24Å; Y228-V232 HydrophobicContact CE1-CG2 3.99Å; Y228-V232 HydrophobicContact CE2-CG2 3.88Å; Y228-V232 HydrophobicContact CG-CG2 4.47Å; Y228-V232 WeakPolarHBondContact O-CG2 3.43Å; Y228-V232 PolarHBondContact O-N 3.04Å; V232-S234 VanDerWaalsContact C-N 3.31Å; V232-S234 PolarHBondContact O-N 3.36Å; V232-M235 PolarHBondContact O-N 3.27Å; V232-A236 WeakPolarHBondContact O-CB 3.35Å; V232-A236 PolarHBondContact O-N 3.28Å
233	A	97.2	Very high	94.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-43.3	173.6	0	0	0	0	0	111.3	L196 I199 I200 L229 M235 A236 C237 M275	L196-A233 HydrophobicContact CD2-CB 4.25Å; I199-A233 HydrophobicContact CB-CB 4.45Å; I199-A233 HydrophobicContact CG2-CB 3.57Å; I200-A233 HydrophobicContact CD1-CB 4.37Å; L229-A233 WeakPolarHBondContact O-CB 3.27Å; L229-A233 PolarHBondContact O-N 3.25Å; A233-M235 VanDerWaalsContact C-N 3.31Å; A233-M235 PolarHBondContact O-N 3Å; A233-A236 CarbonylContact O-C 3.55Å; A233-A236 PolarHBondContact O-N 3.3Å; A233-A236 VanDerWaalsContact O-N 3.1Å; A233-C237 WeakPolarHBondContact O-CB 3.47Å; A233-C237 PolarHBondContact O-N 2.92Å; A233-C237 PolarHBondContact O-SG 3.48Å; A233-M275 HydrophobicContact CB-CE 4.38Å
234	S	95.4	Very high	95.1	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-59.6	-40.4	177	-64.8	0	0	0	0	112.7	A230 L231 V232 E238 A239 V242 M275	A230-S234 WeakPolarHBondContact O-CB 3.47Å; A230-S234 PolarHBondContact O-N 2.72Å; A230-S234 PolarHBondContact O-OG 2.79Å; L231-S234 WeakPolarHBondContact O-CB 3.47Å; L231-S234 PolarHBondContact O-N 2.73Å; V232-S234 VanDerWaalsContact C-N 3.31Å; V232-S234 PolarHBondContact O-N 3.36Å; S234-E238 WeakPolarHBondContact O-CA 3.44Å; S234-E238 PolarHBondContact O-N 3.22Å; S234-A239 PolarHBondContact O-N 3.38Å; S234-V242 WeakPolarHBondContact OG-CB 3.34Å; S234-V242 WeakPolarHBondContact OG-CG2 3.14Å; S234-M275 VanDerWaalsContact OG-CB 3.25Å; S234-M275 WeakPolarHBondContact OG-CB 3.35Å; S234-M275 VanDerWaalsContact OG-CG 3.3Å; S234-M275 WeakPolarHBondContact OG-CG 3.24Å
235	M	92.6	Very high	95.3	Very high	7 Å²	7	14.2 Å²	14.2	3%	0.034	7%	0.07	C	C	.	.	H	α-helix	trans	-66.8	-41.5	174.1	-69.8	176.7	52.1	0	0	112	L231 V232 A233 N397 T400 K699	L231-M235 PolarHBondContact O-N 2.92Å; L231-M235 VanDerWaalsContact O-N 3.13Å; V232-M235 PolarHBondContact O-N 3.27Å; A233-M235 VanDerWaalsContact C-N 3.31Å; A233-M235 PolarHBondContact O-N 3Å; M235-N397 HydrophobicContact SD-CB 4.16Å; M235-N397 VanDerWaalsContact SD-O 3.39Å; M235-T400 HydrophobicContact CE-CG2 3.55Å; M235-T400 HydrophobicContact SD-CG2 4.47Å; M235-K699 HydrophobicContact CE-CD 4.42Å; M235-K699 HydrophobicContact CE-CG 3.89Å
236	A	94.4	Very high	95.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-77.4	-20	-177.3	0	0	0	0	0	114	I200 V232 A233 V480 R694	I200-A236 HydrophobicContact CD1-CB 3.78Å; I200-A236 HydrophobicContact CG1-CB 4.33Å; V232-A236 WeakPolarHBondContact O-CB 3.35Å; V232-A236 PolarHBondContact O-N 3.28Å; A233-A236 CarbonylContact O-C 3.55Å; A233-A236 PolarHBondContact O-N 3.3Å; A233-A236 VanDerWaalsContact O-N 3.1Å; A236-V480 WeakPolarHBondContact O-CG1 3.35Å; A236-R694 HydrophobicContact CB-CB 3.88Å; A236-R694 WeakPolarHBondContact O-CD 3.33Å
237	C	92.2	Very high	95.5	Very high	21 Å²	21	10.8 Å²	10.8	14%	0.142	6%	0.055	C	C	.	.	H	α-helix	trans	-112.7	0.3	176.9	78.2	0	0	0	0	114.1	I200 T203 A233 M275	I200-C237 HydrophobicContact CD1-CB 3.91Å; T203-C237 HydrophobicContact CG2-CB 3.71Å; A233-C237 WeakPolarHBondContact O-CB 3.47Å; A233-C237 PolarHBondContact O-N 2.92Å; A233-C237 PolarHBondContact O-SG 3.48Å; C237-M275 WeakPolarHBondContact SG-CE 3.09Å
238	E	87	Confident	95.5	Very high	39 Å²	39	11 Å²	11	18%	0.182	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	46.4	-173.3	-46.2	172.1	-162.9	0	0	114	S234 D240 R440 V480	S234-E238 WeakPolarHBondContact O-CA 3.44Å; S234-E238 PolarHBondContact O-N 3.22Å; E238-D240 PolarHBondContact O-N 3.4Å; E238-R440 VanDerWaalsContact CD-CD 3.45Å; E238-R440 VanDerWaalsContact CG-NH2 3.32Å; E238-R440 WeakPolarHBondContact OE1-CD 3.1Å; E238-R440 IonicContact OE1-CZ 3.06Å; E238-R440 IonicContact OE1-NE 2.71Å; E238-R440 PolarHBondContact OE1-NE 2.91Å; E238-R440 IonicContact OE1-NH2 2.71Å; E238-R440 IonicContact OE2-CZ 2.93Å; E238-R440 IonicContact OE2-NE 2.7Å; E238-R440 PolarHBondContact OE2-NE 2.98Å; E238-R440 IonicContact OE2-NH2 2.61Å; E238-R440 PolarHBondContact OE2-NH2 2.97Å; E238-V480 HydrophobicContact CG-CB 3.84Å; E238-V480 HydrophobicContact CG-CG1 4.31Å; E238-V480 HydrophobicContact CG-CG2 3.66Å; E238-V480 WeakPolarHBondContact OE1-CB 3.38Å; E238-V480 WeakPolarHBondContact OE1-CG2 3.26Å; E238-V480 PolarHBondContact OE1-N 2.81Å
239	A	92.5	Very high	95.4	Very high	13 Å²	13	11.2 Å²	11.2	11%	0.107	6%	0.059	C	C	.	.			trans	-56.4	137.4	174.6	0	0	0	0	0	110.4	S234 W241 I273 M275	S234-A239 PolarHBondContact O-N 3.38Å; A239-W241 PolarHBondContact O-N 3.28Å; A239-I273 CarbonylContact C-O 3.58Å; A239-I273 HydrophobicContact CB-CG2 4.29Å; A239-M275 HydrophobicContact CB-CB 4.38Å; A239-M275 HydrophobicContact CB-CG 3.69Å
240	D	92.8	Very high	95.1	Very high	14 Å²	14	13.5 Å²	13.5	8%	0.075	7%	0.073	C	C	.	.	S	Bend	trans	-64.7	-28.5	176.9	-63.1	-95.3	0	0	0	111.6	E238 L261 N264 Q269 N272 I273	E238-D240 PolarHBondContact O-N 3.4Å; D240-L261 HydrophobicContact CB-CD2 3.88Å; D240-N264 PolarHBondContact OD1-ND2 2.72Å; D240-Q269 PolarHBondContact OD1-NE2 3.22Å; D240-Q269 PolarHBondContact OD2-NE2 3.04Å; D240-N272 PolarHBondContact OD1-ND2 3.31Å; D240-N272 WeakPolarHBondContact OD2-CA 3.49Å; D240-N272 WeakPolarHBondContact OD2-CB 3.41Å; D240-N272 PolarHBondContact OD2-ND2 3.03Å; D240-I273 PolarHBondContact N-O 3.03Å; D240-I273 PolarHBondContact OD2-N 3.43Å
241	W	95.5	Very high	94.8	Very high	43 Å²	43	20.1 Å²	20.1	16%	0.163	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	149	177.7	-154.3	-86.6	0	0	0	111.6	A239 F243 K256 L257 K260 I274 M275	A239-W241 PolarHBondContact O-N 3.28Å; W241-F243 AromaticContact CD1-CD2 3.77Å; W241-F243 AromaticContact CD1-CE2 3.4Å; W241-F243 AromaticContact CD1-CZ 3.62Å; W241-F243 HydrophobicContact CG-CE2 4.33Å; W241-F243 AromaticContact NE1-CE1 3.88Å; W241-F243 AromaticContact NE1-CE2 3.95Å; W241-F243 AromaticContact NE1-CZ 3.68Å; W241-K256 HydrophobicContact CH2-CB 3.96Å; W241-L257 HydrophobicContact CB-CD1 3.71Å; W241-L257 HydrophobicContact CD2-CD1 3.92Å; W241-L257 HydrophobicContact CE3-CD1 4.1Å; W241-L257 HydrophobicContact CG-CD1 3.77Å; W241-K260 HydrophobicContact CZ3-CB 4.39Å; W241-I274 HydrophobicContact CB-CG1 4.41Å; W241-I274 HydrophobicContact CB-CG2 4.35Å; W241-I274 WeakPolarHBondContact O-CA 3.34Å; W241-M275 PolarHBondContact O-N 3.46Å
242	V	97	Very high	94.7	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140	170.3	80	0	0	0	0	110.5	A230 S234 I244 M275 Y401	A230-V242 HydrophobicContact CB-CG2 3.89Å; S234-V242 WeakPolarHBondContact OG-CB 3.34Å; S234-V242 WeakPolarHBondContact OG-CG2 3.14Å; V242-I244 HydrophobicContact CG1-CG2 4.39Å; V242-I244 HydrophobicContact CG2-CG2 3.79Å; V242-M275 CarbonylContact C-O 3.59Å; V242-M275 VanDerWaalsContact CA-O 3.27Å; V242-M275 WeakPolarHBondContact CA-O 3.44Å; V242-M275 HydrophobicContact CB-CB 4.42Å; V242-M275 HydrophobicContact CG2-CB 3.86Å; V242-Y401 HydrophobicContact CB-CE2 4.17Å; V242-Y401 HydrophobicContact CG1-CD1 4.01Å; V242-Y401 HydrophobicContact CG1-CD2 4.33Å; V242-Y401 HydrophobicContact CG1-CE1 3.4Å; V242-Y401 HydrophobicContact CG1-CE2 3.75Å; V242-Y401 HydrophobicContact CG1-CG 4.45Å; V242-Y401 WeakPolarHBondContact CG1-OH 3.38Å; V242-Y401 PolarHBondContact N-OH 3.28Å
243	F	98	Very high	94.6	Very high	3 Å²	3	23.8 Å²	23.8	1%	0.013	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.3	166	-66	-90.6	0	0	0	109.1	W241 P249 W253 L257 I274 M275 V276 A277 A280 I288 V293	W241-F243 AromaticContact CD1-CD2 3.77Å; W241-F243 AromaticContact CD1-CE2 3.4Å; W241-F243 AromaticContact CD1-CZ 3.62Å; W241-F243 HydrophobicContact CG-CE2 4.33Å; W241-F243 AromaticContact NE1-CE1 3.88Å; W241-F243 AromaticContact NE1-CE2 3.95Å; W241-F243 AromaticContact NE1-CZ 3.68Å; F243-P249 HydrophobicContact CD1-CG 4.05Å; F243-P249 HydrophobicContact CE1-CB 4.44Å; F243-P249 HydrophobicContact CE1-CG 3.98Å; F243-W253 HydrophobicContact CE1-CD2 4.06Å; F243-W253 AromaticContact CE1-CE3 3.68Å; F243-W253 HydrophobicContact CE1-CE3 3.68Å; F243-W253 HydrophobicContact CE1-CH2 4.47Å; F243-W253 AromaticContact CE1-CZ3 3.91Å; F243-W253 HydrophobicContact CE1-CZ3 3.91Å; F243-W253 HydrophobicContact CZ-CD2 4.4Å; F243-W253 AromaticContact CZ-CE3 3.57Å; F243-W253 HydrophobicContact CZ-CE3 3.57Å; F243-W253 HydrophobicContact CZ-CH2 4.35Å; F243-W253 AromaticContact CZ-CZ3 3.54Å; F243-W253 HydrophobicContact CZ-CZ3 3.54Å; F243-L257 HydrophobicContact CE2-CD2 4.45Å; F243-L257 HydrophobicContact CZ-CD2 4.21Å; F243-I274 HydrophobicContact CD2-CG2 4.03Å; F243-I274 HydrophobicContact CE2-CG2 3.86Å; F243-M275 PolarHBondContact N-O 2.89Å; F243-V276 HydrophobicContact CB-CG1 4.37Å; F243-V276 HydrophobicContact CD2-CG2 3.96Å; F243-A277 WeakPolarHBondContact O-CB 3.47Å; F243-A277 PolarHBondContact O-N 3.35Å; F243-A280 HydrophobicContact CB-CB 3.83Å; F243-I288 HydrophobicContact CD1-CD1 3.86Å; F243-I288 HydrophobicContact CD1-CG2 3.94Å; F243-I288 HydrophobicContact CE1-CD1 4.15Å; F243-I288 HydrophobicContact CE1-CG2 4.14Å; F243-I288 HydrophobicContact CG-CG2 4.34Å; F243-V293 HydrophobicContact CD2-CG2 4.4Å; F243-V293 HydrophobicContact CE2-CG1 4.26Å; F243-V293 HydrophobicContact CE2-CG2 3.9Å; F243-V293 HydrophobicContact CZ-CG2 4.12Å
244	I	97.8	Very high	94.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-130.1	147.9	178.3	56.4	170.1	0	0	0	110.7	G227 A230 L231 V242 E246 M247 A277 F394 L398	G227-I244 WeakPolarHBondContact O-CG2 3.4Å; A230-I244 HydrophobicContact CB-CG2 4.04Å; L231-I244 HydrophobicContact CB-CG2 4.44Å; V242-I244 HydrophobicContact CG1-CG2 4.39Å; V242-I244 HydrophobicContact CG2-CG2 3.79Å; I244-E246 VanDerWaalsContact C-N 3.32Å; I244-E246 PolarHBondContact O-N 3.48Å; I244-M247 HydrophobicContact CD1-CB 3.91Å; I244-M247 HydrophobicContact CG1-CB 3.91Å; I244-M247 CarbonylContact O-C 3.05Å; I244-M247 PolarHBondContact O-N 3Å; I244-A277 HydrophobicContact CG2-CB 4.46Å; I244-F394 HydrophobicContact CD1-CZ 4.38Å; I244-L398 HydrophobicContact CD1-CD1 3.74Å
245	P	97.4	Very high	94.5	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.019	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-37.7	177.9	15.5	-22.9	0	0	0	113.1	H225 M247 P248 G279 I281 M378	H225-P245 WeakPolarHBondContact O-CG 3.34Å; P245-M247 PolarHBondContact O-N 2.64Å; P245-P248 WeakPolarHBondContact O-CD 3.35Å; P245-P248 VanDerWaalsContact O-CG 3.25Å; P245-P248 WeakPolarHBondContact O-CG 3.4Å; P245-G279 WeakPolarHBondContact CB-O 3.46Å; P245-I281 HydrophobicContact CB-CG1 4.37Å; P245-M378 HydrophobicContact CB-CE 3.69Å; P245-M378 WeakPolarHBondContact O-CE 3.35Å
246	E	96.5	Very high	94.6	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.014	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.3	-176	-64.9	88.8	168	0	0	114.1	C226 G227 I244 V387 R390 F394	C226-E246 VanDerWaalsContact CA-OE1 3.22Å; C226-E246 WeakPolarHBondContact CA-OE1 3.36Å; C226-E246 PolarHBondContact SG-OE1 2.93Å; G227-E246 WeakPolarHBondContact CA-OE2 3.39Å; G227-E246 PolarHBondContact N-OE1 3.2Å; G227-E246 PolarHBondContact N-OE2 3.2Å; I244-E246 VanDerWaalsContact C-N 3.32Å; I244-E246 PolarHBondContact O-N 3.48Å; E246-V387 HydrophobicContact CB-CG2 3.81Å; E246-V387 WeakPolarHBondContact O-CG2 3.29Å; E246-R390 HydrophobicContact CG-CG 4.39Å; E246-R390 IonicContact OE1-CZ 3.76Å; E246-R390 IonicContact OE1-NE 3.96Å; E246-R390 PolarHBondContact OE1-NE 3.44Å; E246-R390 IonicContact OE1-NH2 2.88Å; E246-R390 PolarHBondContact OE1-NH2 2.7Å; E246-F394 HydrophobicContact CB-CE1 3.8Å; E246-F394 HydrophobicContact CB-CZ 3.83Å; E246-F394 HydrophobicContact CG-CE1 3.99Å; E246-F394 HydrophobicContact CG-CZ 3.73Å
247	M	95.9	Very high	94.6	Very high	56 Å²	56	39.4 Å²	39.4	28%	0.276	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-138.3	73.6	174.9	-171.7	-167.5	62.9	0	0	109.5	I244 P245 L398 Y401 I402	I244-M247 HydrophobicContact CD1-CB 3.91Å; I244-M247 HydrophobicContact CG1-CB 3.91Å; I244-M247 CarbonylContact O-C 3.05Å; I244-M247 PolarHBondContact O-N 3Å; P245-M247 PolarHBondContact O-N 2.64Å; M247-L398 HydrophobicContact CB-CD1 4.16Å; M247-L398 HydrophobicContact CB-CD2 4.49Å; M247-L398 HydrophobicContact CE-CD1 4.26Å; M247-L398 HydrophobicContact SD-CD1 3.82Å; M247-Y401 HydrophobicContact CE-CD1 4.34Å; M247-Y401 HydrophobicContact CE-CE1 3.99Å; M247-I402 HydrophobicContact SD-CD1 3.64Å; M247-I402 HydrophobicContact SD-CG1 3.71Å
248	P	96.1	Very high	94.8	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.032	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-60.1	136.9	176.8	-24.8	38.6	0	0	0	109.9	P245 I281 R283 F383	P245-P248 WeakPolarHBondContact O-CD 3.35Å; P245-P248 VanDerWaalsContact O-CG 3.25Å; P245-P248 WeakPolarHBondContact O-CG 3.4Å; P248-I281 WeakPolarHBondContact CB-O 3.22Å; P248-I281 HydrophobicContact CG-CD1 4.49Å; P248-I281 HydrophobicContact CG-CG1 4.12Å; P248-R283 HydrophobicContact CB-CG 4.03Å; P248-F383 HydrophobicContact CB-CE2 4.39Å; P248-F383 HydrophobicContact CB-CZ 4.42Å; P248-F383 HydrophobicContact CG-CD1 3.7Å; P248-F383 HydrophobicContact CG-CD2 3.94Å; P248-F383 HydrophobicContact CG-CE1 3.55Å; P248-F383 HydrophobicContact CG-CE2 3.78Å; P248-F383 HydrophobicContact CG-CG 3.91Å; P248-F383 HydrophobicContact CG-CZ 3.58Å
249	P	94.8	Very high	95.1	Very high	16 Å²	16	40.1 Å²	40.1	10%	0.104	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-70.3	158.7	-173.7	37.1	-41.5	0	0	0	110.3	F243 W253 I281 R283 I288	F243-P249 HydrophobicContact CD1-CG 4.05Å; F243-P249 HydrophobicContact CE1-CB 4.44Å; F243-P249 HydrophobicContact CE1-CG 3.98Å; P249-W253 HydrophobicContact CB-CB 3.59Å; P249-W253 HydrophobicContact CB-CG 4.02Å; P249-W253 HydrophobicContact CG-CB 4.02Å; P249-W253 HydrophobicContact CG-CD2 4.47Å; P249-W253 HydrophobicContact CG-CG 3.87Å; P249-I281 WeakPolarHBondContact CD-O 3.36Å; P249-R283 WeakPolarHBondContact O-CG 3.35Å; P249-I288 HydrophobicContact CG-CD1 3.53Å
250	T	93.5	Very high	95	Very high	47 Å²	47	40.2 Å²	40.2	29%	0.288	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-67.4	162.8	176.9	49	0	0	0	0	111.4	D252 W253 K256	T250-D252 WeakPolarHBondContact CB-OD1 3.17Å; T250-D252 PolarHBondContact O-N 3.29Å; T250-D252 VanDerWaalsContact O-N 3.11Å; T250-D252 PolarHBondContact OG1-OD1 3.02Å; T250-W253 WeakPolarHBondContact O-CB 3.14Å; T250-W253 VanDerWaalsContact O-CD1 3.25Å; T250-W253 PolarHBondContact O-N 3.28Å; T250-K256 PolarHBondContact OG1-NZ 3.09Å
251	D	91.2	Very high	95.1	Very high	140 Å²	140	39.6 Å²	39.6	75%	0.749	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.5	-174.6	-60.8	-24.1	0	0	0	113.3	W253	D251-W253 PolarHBondContact O-N 3.22Å
252	D	94	Very high	95	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	20.6	175.9	67.9	-24.9	0	0	0	113.9	T250 R254 E255 K256	T250-D252 WeakPolarHBondContact CB-OD1 3.17Å; T250-D252 PolarHBondContact O-N 3.29Å; T250-D252 VanDerWaalsContact O-N 3.11Å; T250-D252 PolarHBondContact OG1-OD1 3.02Å; D252-R254 PolarHBondContact O-N 3.48Å; D252-E255 WeakPolarHBondContact CA-OE2 3.37Å; D252-E255 PolarHBondContact O-N 3.32Å; D252-K256 WeakPolarHBondContact O-CG 3.33Å; D252-K256 PolarHBondContact O-N 3.43Å; D252-K256 VanDerWaalsContact O-N 3.07Å; D252-K256 IonicContact OD1-NZ 2.76Å; D252-K256 PolarHBondContact OD1-NZ 3.08Å; D252-K256 WeakPolarHBondContact OD2-CE 3.28Å; D252-K256 IonicContact OD2-NZ 3.12Å; D252-K256 PolarHBondContact OD2-NZ 2.74Å
253	W	94.6	Very high	94.6	Very high	17 Å²	17	44.2 Å²	44.2	6%	0.064	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-28.6	-177.5	72.4	-95.4	0	0	0	113.2	F243 P249 T250 D251 K256 L257 I292 V293 L296	F243-W253 HydrophobicContact CE1-CD2 4.06Å; F243-W253 AromaticContact CE1-CE3 3.68Å; F243-W253 HydrophobicContact CE1-CE3 3.68Å; F243-W253 HydrophobicContact CE1-CH2 4.47Å; F243-W253 AromaticContact CE1-CZ3 3.91Å; F243-W253 HydrophobicContact CE1-CZ3 3.91Å; F243-W253 HydrophobicContact CZ-CD2 4.4Å; F243-W253 AromaticContact CZ-CE3 3.57Å; F243-W253 HydrophobicContact CZ-CE3 3.57Å; F243-W253 HydrophobicContact CZ-CH2 4.35Å; F243-W253 AromaticContact CZ-CZ3 3.54Å; F243-W253 HydrophobicContact CZ-CZ3 3.54Å; P249-W253 HydrophobicContact CB-CB 3.59Å; P249-W253 HydrophobicContact CB-CG 4.02Å; P249-W253 HydrophobicContact CG-CB 4.02Å; P249-W253 HydrophobicContact CG-CD2 4.47Å; P249-W253 HydrophobicContact CG-CG 3.87Å; T250-W253 WeakPolarHBondContact O-CB 3.14Å; T250-W253 VanDerWaalsContact O-CD1 3.25Å; T250-W253 PolarHBondContact O-N 3.28Å; D251-W253 PolarHBondContact O-N 3.22Å; W253-K256 PolarHBondContact O-N 2.93Å; W253-L257 HydrophobicContact CE3-CB 4.43Å; W253-L257 HydrophobicContact CE3-CD2 4.31Å; W253-L257 HydrophobicContact CZ3-CD2 3.92Å; W253-L257 VanDerWaalsContact O-CB 3.23Å; W253-L257 WeakPolarHBondContact O-CB 3.28Å; W253-L257 PolarHBondContact O-N 2.93Å; W253-I292 HydrophobicContact CH2-CG2 4.22Å; W253-I292 HydrophobicContact CZ2-CG2 4.26Å; W253-V293 HydrophobicContact CH2-CG2 4.22Å; W253-V293 HydrophobicContact CZ3-CG2 4.41Å; W253-L296 HydrophobicContact CE3-CD2 4.28Å; W253-L296 HydrophobicContact CH2-CD2 3.89Å; W253-L296 HydrophobicContact CZ3-CD2 3.53Å
254	R	96	Very high	94.1	Very high	129 Å²	129	45 Å²	45	49%	0.487	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-48.5	-179.1	-64.6	-176.4	172.3	179	-0.9	109.9	D252 C258 L296	D252-R254 PolarHBondContact O-N 3.48Å; R254-C258 WeakPolarHBondContact O-CB 3.49Å; R254-C258 PolarHBondContact O-N 3.23Å; R254-C258 PolarHBondContact O-SG 3.49Å; R254-C258 VanDerWaalsContact O-SG 3.32Å; R254-L296 HydrophobicContact CB-CD1 3.91Å; R254-L296 HydrophobicContact CB-CD2 3.85Å; R254-L296 HydrophobicContact CG-CD1 4.23Å; R254-L296 HydrophobicContact CG-CD2 3.94Å
255	E	95.9	Very high	93.7	Very high	123 Å²	123	47.3 Å²	47.3	58%	0.575	22%	0.221	S	C	*	.	H	α-helix	trans	-64.6	-45.4	176.8	-62.7	80.3	-178.1	0	0	110.8	D252 C258 H259	D252-E255 WeakPolarHBondContact CA-OE2 3.37Å; D252-E255 PolarHBondContact O-N 3.32Å; E255-C258 PolarHBondContact O-N 3.33Å; E255-H259 VanDerWaalsContact O-CB 3.25Å; E255-H259 WeakPolarHBondContact O-CB 3.35Å; E255-H259 PolarHBondContact O-N 2.81Å
256	K	93.9	Very high	93.3	Very high	85 Å²	85	53.2 Å²	53.2	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-46	178.5	-77.1	171.5	166.9	150.3	0	112.6	W241 T250 D252 W253 H259 K260	W241-K256 HydrophobicContact CH2-CB 3.96Å; T250-K256 PolarHBondContact OG1-NZ 3.09Å; D252-K256 WeakPolarHBondContact O-CG 3.33Å; D252-K256 PolarHBondContact O-N 3.43Å; D252-K256 VanDerWaalsContact O-N 3.07Å; D252-K256 IonicContact OD1-NZ 2.76Å; D252-K256 PolarHBondContact OD1-NZ 3.08Å; D252-K256 WeakPolarHBondContact OD2-CE 3.28Å; D252-K256 IonicContact OD2-NZ 3.12Å; D252-K256 PolarHBondContact OD2-NZ 2.74Å; W253-K256 PolarHBondContact O-N 2.93Å; K256-H259 PolarHBondContact O-N 3.29Å; K256-K260 WeakPolarHBondContact O-CB 3.25Å; K256-K260 PolarHBondContact O-N 3.46Å
257	L	94.8	Very high	92.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-51.1	176.6	176.7	63.4	0	0	0	110.2	W241 F243 W253 H259 K260 L261 I274 V293 L296 I297	W241-L257 HydrophobicContact CB-CD1 3.71Å; W241-L257 HydrophobicContact CD2-CD1 3.92Å; W241-L257 HydrophobicContact CE3-CD1 4.1Å; W241-L257 HydrophobicContact CG-CD1 3.77Å; F243-L257 HydrophobicContact CE2-CD2 4.45Å; F243-L257 HydrophobicContact CZ-CD2 4.21Å; W253-L257 HydrophobicContact CE3-CB 4.43Å; W253-L257 HydrophobicContact CE3-CD2 4.31Å; W253-L257 HydrophobicContact CZ3-CD2 3.92Å; W253-L257 VanDerWaalsContact O-CB 3.23Å; W253-L257 WeakPolarHBondContact O-CB 3.28Å; W253-L257 PolarHBondContact O-N 2.93Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 3.41Å; L257-K260 PolarHBondContact O-N 2.84Å; L257-L261 HydrophobicContact CD1-CD1 3.89Å; L257-L261 HydrophobicContact CD1-CD2 4.36Å; L257-L261 HydrophobicContact CD1-CG 3.95Å; L257-L261 HydrophobicContact CG-CD1 3.97Å; L257-L261 HydrophobicContact CG-CG 4.36Å; L257-L261 VanDerWaalsContact O-CG 3.31Å; L257-L261 WeakPolarHBondContact O-CG 3.24Å; L257-L261 PolarHBondContact O-N 3.04Å; L257-I274 HydrophobicContact CD1-CD1 4.1Å; L257-I274 HydrophobicContact CD2-CD1 4.32Å; L257-V293 HydrophobicContact CD2-CG1 4.04Å; L257-L296 HydrophobicContact CD2-CD2 4.17Å; L257-I297 HydrophobicContact CD2-CD1 4.42Å; L257-I297 HydrophobicContact CD2-CG1 4.46Å
258	C	95.5	Very high	92.2	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-41.1	-179.7	-73.9	0	0	0	0	112.1	R254 E255 R262 L301	R254-C258 WeakPolarHBondContact O-CB 3.49Å; R254-C258 PolarHBondContact O-N 3.23Å; R254-C258 PolarHBondContact O-SG 3.49Å; R254-C258 VanDerWaalsContact O-SG 3.32Å; E255-C258 PolarHBondContact O-N 3.33Å; C258-R262 VanDerWaalsContact O-CB 3.23Å; C258-R262 WeakPolarHBondContact O-CB 3.34Å; C258-R262 PolarHBondContact O-N 2.95Å; C258-L301 HydrophobicContact CB-CD1 4.37Å; C258-L301 HydrophobicContact CB-CD2 4.19Å; C258-L301 HydrophobicContact CB-CG 4.3Å
259	H	93.5	Very high	91.8	Very high	69 Å²	69	57.2 Å²	57.2	32%	0.319	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-50.1	174.8	-177.4	68.2	0	0	0	111.5	E255 K256 L257 L261 R262 M263	E255-H259 VanDerWaalsContact O-CB 3.25Å; E255-H259 WeakPolarHBondContact O-CB 3.35Å; E255-H259 PolarHBondContact O-N 2.81Å; K256-H259 PolarHBondContact O-N 3.29Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 3.41Å; H259-L261 PolarHBondContact O-N 3.1Å; H259-R262 PolarHBondContact O-N 3.4Å; H259-M263 WeakPolarHBondContact O-CB 3.47Å; H259-M263 WeakPolarHBondContact O-CG 3.49Å; H259-M263 PolarHBondContact O-N 3.23Å
260	K	91.3	Very high	91.5	Very high	16 Å²	16	60.4 Å²	60.4	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-48.4	-179.2	-174.3	68.1	177.7	-159.8	0	111.9	W241 K256 L257 M263 N264 S405 I407	W241-K260 HydrophobicContact CZ3-CB 4.39Å; K256-K260 WeakPolarHBondContact O-CB 3.25Å; K256-K260 PolarHBondContact O-N 3.46Å; L257-K260 PolarHBondContact O-N 2.84Å; K260-M263 PolarHBondContact O-N 2.71Å; K260-N264 WeakPolarHBondContact O-CB 3.32Å; K260-N264 VanDerWaalsContact O-CG 3.28Å; K260-N264 PolarHBondContact O-N 3.05Å; K260-S405 PolarHBondContact NZ-O 3.46Å; K260-I407 PolarHBondContact NZ-O 3.44Å
261	L	93.5	Very high	91.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.5	-42.7	179.9	-63.8	178.7	0	0	0	111.4	D240 L257 H259 N264 R265 N272 I274 I297 L301	D240-L261 HydrophobicContact CB-CD2 3.88Å; L257-L261 HydrophobicContact CD1-CD1 3.89Å; L257-L261 HydrophobicContact CD1-CD2 4.36Å; L257-L261 HydrophobicContact CD1-CG 3.95Å; L257-L261 HydrophobicContact CG-CD1 3.97Å; L257-L261 HydrophobicContact CG-CG 4.36Å; L257-L261 VanDerWaalsContact O-CG 3.31Å; L257-L261 WeakPolarHBondContact O-CG 3.24Å; L257-L261 PolarHBondContact O-N 3.04Å; H259-L261 PolarHBondContact O-N 3.1Å; L261-N264 PolarHBondContact O-N 3.08Å; L261-R265 WeakPolarHBondContact O-CB 3.4Å; L261-R265 WeakPolarHBondContact O-CG 3.48Å; L261-R265 PolarHBondContact O-N 3.13Å; L261-N272 HydrophobicContact CD2-CB 3.78Å; L261-I274 HydrophobicContact CD1-CD1 4.1Å; L261-I297 HydrophobicContact CD1-CD1 3.87Å; L261-I297 HydrophobicContact CD1-CG1 3.9Å; L261-I297 HydrophobicContact CD1-CG2 4.48Å; L261-L301 HydrophobicContact CB-CD1 3.66Å; L261-L301 HydrophobicContact CD1-CD1 3.93Å; L261-L301 HydrophobicContact CG-CD1 4.44Å
262	R	93	Very high	91.6	Very high	105 Å²	105	52.6 Å²	52.6	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-49	176.3	-171.8	-174.9	-58.5	134.4	3.1	111.3	C258 H259 N264 R265 E266 L301	C258-R262 VanDerWaalsContact O-CB 3.23Å; C258-R262 WeakPolarHBondContact O-CB 3.34Å; C258-R262 PolarHBondContact O-N 2.95Å; H259-R262 PolarHBondContact O-N 3.4Å; R262-N264 PolarHBondContact O-N 3.03Å; R262-R265 WeakPolarHBondContact O-CB 3.4Å; R262-R265 PolarHBondContact O-N 3.36Å; R262-E266 WeakPolarHBondContact CD-OE1 3.23Å; R262-E266 HydrophobicContact CG-CG 4.47Å; R262-E266 VanDerWaalsContact CG-OE1 3.28Å; R262-E266 WeakPolarHBondContact CG-OE1 3.31Å; R262-E266 WeakPolarHBondContact O-CG 3.47Å; R262-E266 PolarHBondContact O-N 3.47Å; R262-L301 HydrophobicContact CB-CD2 4.13Å
263	M	88.5	Confident	91.6	Very high	39 Å²	39	49.9 Å²	49.9	19%	0.192	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-48.3	175.6	-72	-66	97.7	0	0	111.3	H259 K260 R265 E266 H267	H259-M263 WeakPolarHBondContact O-CB 3.47Å; H259-M263 WeakPolarHBondContact O-CG 3.49Å; H259-M263 PolarHBondContact O-N 3.23Å; K260-M263 PolarHBondContact O-N 2.71Å; M263-R265 VanDerWaalsContact C-N 3.29Å; M263-R265 PolarHBondContact O-N 3.43Å; M263-E266 WeakPolarHBondContact CE-OE2 3.34Å; M263-E266 PolarHBondContact O-N 3Å; M263-H267 PolarHBondContact O-N 3.43Å; M263-H267 PolarHBondContact O-ND1 3.2Å
264	N	88.4	Confident	91.8	Very high	20 Å²	20	49.1 Å²	49.1	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-42.2	179	-73.5	-4.8	0	0	0	111.7	D240 K260 L261 R262 H267 G268 Q269	D240-N264 PolarHBondContact OD1-ND2 2.72Å; K260-N264 WeakPolarHBondContact O-CB 3.32Å; K260-N264 VanDerWaalsContact O-CG 3.28Å; K260-N264 PolarHBondContact O-N 3.05Å; L261-N264 PolarHBondContact O-N 3.08Å; R262-N264 PolarHBondContact O-N 3.03Å; N264-H267 CarbonylContact O-C 3.55Å; N264-H267 PolarHBondContact O-N 3.23Å; N264-G268 PolarHBondContact O-N 3.35Å; N264-Q269 HydrophobicContact CB-CB 4.12Å; N264-Q269 WeakPolarHBondContact O-CB 3.45Å; N264-Q269 PolarHBondContact O-N 3.24Å
265	R	89.6	Confident	91.9	Very high	48 Å²	48	43 Å²	43	18%	0.181	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-45.2	177.5	-69.7	-81.2	160.4	145.8	-2.4	112.7	Q214 R215 L261 R262 M263 H267 G268 Q269 R270 N272 L303	Q214-R265 PolarHBondContact O-NH1 3.44Å; R215-R265 PolarHBondContact O-NH2 2.86Å; L261-R265 WeakPolarHBondContact O-CB 3.4Å; L261-R265 WeakPolarHBondContact O-CG 3.48Å; L261-R265 PolarHBondContact O-N 3.13Å; R262-R265 WeakPolarHBondContact O-CB 3.4Å; R262-R265 PolarHBondContact O-N 3.36Å; M263-R265 VanDerWaalsContact C-N 3.29Å; M263-R265 PolarHBondContact O-N 3.43Å; R265-H267 PolarHBondContact O-N 3.04Å; R265-G268 WeakPolarHBondContact O-CA 3.27Å; R265-G268 PolarHBondContact O-N 3.4Å; R265-Q269 VanDerWaalsContact CD-O 3.28Å; R265-Q269 WeakPolarHBondContact CD-O 3.36Å; R265-Q269 PolarHBondContact NE-O 3.47Å; R265-R270 PolarHBondContact NH1-O 3.38Å; R265-R270 PolarHBondContact NH2-O 3.28Å; R265-N272 PolarHBondContact NE-OD1 3.17Å; R265-N272 VanDerWaalsContact NH2-N 3.18Å; R265-N272 PolarHBondContact NH2-OD1 3.38Å; R265-L303 HydrophobicContact CG-CD1 4.3Å
266	E	88.6	Confident	92	Very high	128 Å²	128	37.2 Å²	37.2	60%	0.598	18%	0.177	S	C	*	.	H	α-helix	trans	-61.2	-34.2	176.7	-73.9	175	-165.2	0	0	111.8	R262 M263 G268	R262-E266 WeakPolarHBondContact CD-OE1 3.23Å; R262-E266 HydrophobicContact CG-CG 4.47Å; R262-E266 VanDerWaalsContact CG-OE1 3.28Å; R262-E266 WeakPolarHBondContact CG-OE1 3.31Å; R262-E266 WeakPolarHBondContact O-CG 3.47Å; R262-E266 PolarHBondContact O-N 3.47Å; M263-E266 WeakPolarHBondContact CE-OE2 3.34Å; M263-E266 PolarHBondContact O-N 3Å; E266-G268 PolarHBondContact O-N 2.84Å
267	H	83.9	Confident	92.2	Very high	78 Å²	78	33.2 Å²	33.2	36%	0.361	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	18.8	172.4	-63.6	87.8	0	0	0	113.1	M263 N264 R265 Q409 R477	M263-H267 PolarHBondContact O-N 3.43Å; M263-H267 PolarHBondContact O-ND1 3.2Å; N264-H267 CarbonylContact O-C 3.55Å; N264-H267 PolarHBondContact O-N 3.23Å; R265-H267 PolarHBondContact O-N 3.04Å; H267-Q409 PolarHBondContact CD2-OE1 3.15Å; H267-R477 PolarHBondContact O-NH1 2.99Å; H267-R477 PolarHBondContact O-NH2 3.34Å
268	G	85.1	Confident	92.3	Very high	43 Å²	43	37 Å²	37	44%	0.443	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	10.8	172	0	0	0	0	0	115.5	N264 R265 E266 R270 R477	N264-G268 PolarHBondContact O-N 3.35Å; R265-G268 WeakPolarHBondContact O-CA 3.27Å; R265-G268 PolarHBondContact O-N 3.4Å; E266-G268 PolarHBondContact O-N 2.84Å; G268-R270 PolarHBondContact O-N 2.91Å; G268-R477 PolarHBondContact O-NH1 2.93Å
269	Q	87.5	Confident	92.3	Very high	26 Å²	26	37.3 Å²	37.3	12%	0.121	18%	0.182	C	C	.	.			trans	-70.5	116.8	177.3	-169.5	172.8	-34.9	0	0	110	D240 N264 R265 V271 N272	D240-Q269 PolarHBondContact OD1-NE2 3.22Å; D240-Q269 PolarHBondContact OD2-NE2 3.04Å; N264-Q269 HydrophobicContact CB-CB 4.12Å; N264-Q269 WeakPolarHBondContact O-CB 3.45Å; N264-Q269 PolarHBondContact O-N 3.24Å; R265-Q269 VanDerWaalsContact CD-O 3.28Å; R265-Q269 WeakPolarHBondContact CD-O 3.36Å; R265-Q269 PolarHBondContact NE-O 3.47Å; Q269-V271 WeakPolarHBondContact CG-O 3.49Å; Q269-V271 PolarHBondContact NE2-O 2.86Å; Q269-N272 PolarHBondContact NE2-ND2 3.2Å
270	R	89.7	Confident	92.5	Very high	84 Å²	84	34.2 Å²	34.2	32%	0.317	17%	0.168	S	C	.	.			trans	-81	-30	-176.6	-64.9	173.9	59.2	80.8	3.2	113.1	H211 Q214 R265 G268	H211-R270 WeakPolarHBondContact NE2-CD 3.5Å; H211-R270 PolarHBondContact O-NE 3.47Å; H211-R270 PolarHBondContact O-NH2 3.27Å; Q214-R270 CarbonylContact C-O 3.45Å; Q214-R270 WeakPolarHBondContact CA-O 3.35Å; Q214-R270 VanDerWaalsContact CD-NH1 3.27Å; Q214-R270 HydrophobicContact CG-CB 4.28Å; Q214-R270 HydrophobicContact CG-CG 4.39Å; Q214-R270 VanDerWaalsContact CG-NH2 3.26Å; R265-R270 PolarHBondContact NH1-O 3.38Å; R265-R270 PolarHBondContact NH2-O 3.28Å; G268-R270 PolarHBondContact O-N 2.91Å
271	V	91.9	Very high	92.8	Very high	23 Å²	23	34.8 Å²	34.8	14%	0.139	17%	0.172	C	C	.	.			trans	-113.8	134.6	-174.5	179.8	0	0	0	0	109.4	A210 H211 Q269 I273	A210-V271 HydrophobicContact CB-CB 4.35Å; A210-V271 HydrophobicContact CB-CG1 3.61Å; A210-V271 HydrophobicContact CB-CG2 3.92Å; H211-V271 HydrophobicContact CB-CG2 3.64Å; Q269-V271 WeakPolarHBondContact CG-O 3.49Å; Q269-V271 PolarHBondContact NE2-O 2.86Å; V271-I273 HydrophobicContact CG1-CD1 3.78Å; V271-I273 HydrophobicContact CG1-CG1 3.97Å
272	N	94.2	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.3	159.5	-62	111.5	0	0	0	110.9	R215 C216 F217 D240 L261 R265 Q269	R215-N272 PolarHBondContact O-N 3.01Å; C216-N272 CarbonylContact C-O 3.6Å; C216-N272 WeakPolarHBondContact CA-O 3.46Å; C216-N272 HydrophobicContact CB-CB 4.28Å; F217-N272 PolarHBondContact N-O 3.27Å; D240-N272 PolarHBondContact OD1-ND2 3.31Å; D240-N272 WeakPolarHBondContact OD2-CA 3.49Å; D240-N272 WeakPolarHBondContact OD2-CB 3.41Å; D240-N272 PolarHBondContact OD2-ND2 3.03Å; L261-N272 HydrophobicContact CD2-CB 3.78Å; R265-N272 PolarHBondContact NE-OD1 3.17Å; R265-N272 VanDerWaalsContact NH2-N 3.18Å; R265-N272 PolarHBondContact NH2-OD1 3.38Å; Q269-N272 PolarHBondContact NE2-ND2 3.2Å
273	I	95.1	Very high	92.9	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.046	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.1	174.8	-57.7	-58.8	0	0	0	108	T203 F217 L219 A239 D240 V271 M275	T203-I273 HydrophobicContact CG2-CG2 4.28Å; F217-I273 HydrophobicContact CB-CD1 3.99Å; F217-I273 WeakPolarHBondContact O-CA 3.03Å; L219-I273 HydrophobicContact CD1-CG2 3.87Å; L219-I273 HydrophobicContact CG-CG2 4.41Å; A239-I273 CarbonylContact C-O 3.58Å; A239-I273 HydrophobicContact CB-CG2 4.29Å; D240-I273 PolarHBondContact N-O 3.03Å; D240-I273 PolarHBondContact OD2-N 3.43Å; V271-I273 HydrophobicContact CG1-CD1 3.78Å; V271-I273 HydrophobicContact CG1-CG1 3.97Å; I273-M275 HydrophobicContact CG2-CE 4.04Å
274	I	97.3	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.8	173.5	-60.8	171.1	0	0	0	107.6	F217 I218 L219 W241 F243 L257 L261 V276 V293 I297	F217-I274 PolarHBondContact O-N 3.41Å; I218-I274 CarbonylContact C-O 3.44Å; I218-I274 WeakPolarHBondContact CA-O 3.12Å; I218-I274 HydrophobicContact CG1-CB 4.23Å; I218-I274 HydrophobicContact CG1-CD1 4.32Å; L219-I274 PolarHBondContact N-O 3.27Å; W241-I274 HydrophobicContact CB-CG1 4.41Å; W241-I274 HydrophobicContact CB-CG2 4.35Å; W241-I274 WeakPolarHBondContact O-CA 3.34Å; F243-I274 HydrophobicContact CD2-CG2 4.03Å; F243-I274 HydrophobicContact CE2-CG2 3.86Å; L257-I274 HydrophobicContact CD1-CD1 4.1Å; L257-I274 HydrophobicContact CD2-CD1 4.32Å; L261-I274 HydrophobicContact CD1-CD1 4.1Å; I274-V276 HydrophobicContact CG2-CG2 4.18Å; I274-V293 HydrophobicContact CD1-CG1 4.06Å; I274-V293 HydrophobicContact CG2-CG1 4.27Å; I274-I297 HydrophobicContact CD1-CD1 3.22Å
275	M	97.8	Very high	93.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.5	177.1	-70	-69.1	-173.6	0	0	109.5	I199 T203 L219 V221 A233 S234 C237 A239 W241 V242 F243 I273	I199-M275 HydrophobicContact CG2-CE 4.36Å; T203-M275 HydrophobicContact CG2-CE 3.89Å; T203-M275 WeakPolarHBondContact OG1-CE 3.3Å; L219-M275 HydrophobicContact CB-SD 3.71Å; L219-M275 HydrophobicContact CD1-CE 3.66Å; L219-M275 HydrophobicContact CD1-SD 3.97Å; L219-M275 HydrophobicContact CG-SD 4.37Å; V221-M275 HydrophobicContact CG2-SD 3.73Å; A233-M275 HydrophobicContact CB-CE 4.38Å; S234-M275 VanDerWaalsContact OG-CB 3.25Å; S234-M275 WeakPolarHBondContact OG-CB 3.35Å; S234-M275 VanDerWaalsContact OG-CG 3.3Å; S234-M275 WeakPolarHBondContact OG-CG 3.24Å; C237-M275 WeakPolarHBondContact SG-CE 3.09Å; A239-M275 HydrophobicContact CB-CB 4.38Å; A239-M275 HydrophobicContact CB-CG 3.69Å; W241-M275 PolarHBondContact O-N 3.46Å; V242-M275 CarbonylContact C-O 3.59Å; V242-M275 VanDerWaalsContact CA-O 3.27Å; V242-M275 WeakPolarHBondContact CA-O 3.44Å; V242-M275 HydrophobicContact CB-CB 4.42Å; V242-M275 HydrophobicContact CG2-CB 3.86Å; F243-M275 PolarHBondContact N-O 2.89Å; I273-M275 HydrophobicContact CG2-CE 4.04Å
276	V	98.4	Very high	93.4	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115	177.9	-176.6	0	0	0	0	107.8	I218 L219 E220 V221 F243 I274 A280	I218-V276 HydrophobicContact CG2-CG2 3.6Å; L219-V276 PolarHBondContact O-N 2.85Å; E220-V276 WeakPolarHBondContact CA-O 3.46Å; V221-V276 PolarHBondContact N-O 3.39Å; F243-V276 HydrophobicContact CB-CG1 4.37Å; F243-V276 HydrophobicContact CD2-CG2 3.96Å; I274-V276 HydrophobicContact CG2-CG2 4.18Å; V276-A280 HydrophobicContact CG1-CB 3.96Å
277	A	98.5	Very high	93.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	142.1	170.1	0	0	0	0	0	109.7	V221 A230 F243 I244 G279 A280	V221-A277 CarbonylContact O-C 3.53Å; A230-A277 HydrophobicContact CB-CB 3.89Å; F243-A277 WeakPolarHBondContact O-CB 3.47Å; F243-A277 PolarHBondContact O-N 3.35Å; I244-A277 HydrophobicContact CG2-CB 4.46Å; A277-G279 PolarHBondContact O-N 3.42Å; A277-G279 VanDerWaalsContact O-N 3.07Å; A277-A280 WeakPolarHBondContact O-CB 3.49Å; A277-A280 PolarHBondContact O-N 3.35Å
278	E	96.9	Very high	94.4	Very high	81 Å²	81	39.9 Å²	39.9	38%	0.379	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.1	178.3	69.5	-175.7	159.8	0	0	113.1	V221 M222 G223 R224	V221-E278 PolarHBondContact O-N 3.14Å; M222-E278 WeakPolarHBondContact CA-OE1 3.36Å; G223-E278 PolarHBondContact N-OE1 3.45Å; R224-E278 VanDerWaalsContact CA-OE1 3.26Å; R224-E278 WeakPolarHBondContact CA-OE1 3.37Å; R224-E278 PolarHBondContact N-OE1 3Å
279	G	96.5	Very high	95	Very high	12 Å²	12	40.9 Å²	40.9	12%	0.124	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	14.5	174.7	0	0	0	0	0	115.5	R224 P245 A277 I281	R224-G279 VanDerWaalsContact O-CA 3.24Å; R224-G279 WeakPolarHBondContact O-CA 3.24Å; R224-G279 PolarHBondContact O-N 3.08Å; P245-G279 WeakPolarHBondContact CB-O 3.46Å; A277-G279 PolarHBondContact O-N 3.42Å; A277-G279 VanDerWaalsContact O-N 3.07Å; G279-I281 PolarHBondContact O-N 2.96Å
280	A	97.6	Very high	95.5	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.033	21%	0.212	C	C	.	.			trans	-62.1	133.1	-176.7	0	0	0	0	0	112.8	F243 V276 A277 P287 I288	F243-A280 HydrophobicContact CB-CB 3.83Å; V276-A280 HydrophobicContact CG1-CB 3.96Å; A277-A280 WeakPolarHBondContact O-CB 3.49Å; A277-A280 PolarHBondContact O-N 3.35Å; A280-P287 WeakPolarHBondContact O-CA 3.42Å; A280-I288 HydrophobicContact CB-CB 4.37Å; A280-I288 PolarHBondContact O-N 3.25Å
281	I	96.9	Very high	95.9	Very high	28 Å²	28	39.6 Å²	39.6	14%	0.144	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-135.7	160.8	-179.4	57.5	174.9	0	0	0	111.4	P245 P248 P249 G279 K286 I288 M378 F383	P245-I281 HydrophobicContact CB-CG1 4.37Å; P248-I281 WeakPolarHBondContact CB-O 3.22Å; P248-I281 HydrophobicContact CG-CD1 4.49Å; P248-I281 HydrophobicContact CG-CG1 4.12Å; P249-I281 WeakPolarHBondContact CD-O 3.36Å; G279-I281 PolarHBondContact O-N 2.96Å; I281-K286 CarbonylContact C-O 3.56Å; I281-K286 WeakPolarHBondContact CA-O 3.33Å; I281-I288 WeakPolarHBondContact O-CD1 3.34Å; I281-M378 HydrophobicContact CD1-CE 3.76Å; I281-F383 HydrophobicContact CD1-CE1 4.13Å
282	D	95.2	Very high	96.1	Very high	40 Å²	40	41.6 Å²	41.6	21%	0.214	22%	0.224	C	C	.	.			trans	-87.9	178.2	166.3	72.4	13.8	0	0	0	111.9	A284 C285 K286 I288	D282-A284 PolarHBondContact O-N 2.99Å; D282-A284 VanDerWaalsContact OD1-CA 3.29Å; D282-A284 WeakPolarHBondContact OD1-CA 3.44Å; D282-A284 WeakPolarHBondContact OD1-CB 3.38Å; D282-A284 PolarHBondContact OD1-N 2.99Å; D282-C285 WeakPolarHBondContact O-CA 3.36Å; D282-C285 PolarHBondContact O-N 3.47Å; D282-C285 PolarHBondContact OD1-N 3.23Å; D282-K286 PolarHBondContact N-O 3.43Å; D282-K286 WeakPolarHBondContact OD1-CB 3.36Å; D282-K286 PolarHBondContact OD1-N 2.94Å; D282-I288 HydrophobicContact CB-CD1 4.04Å; D282-I288 HydrophobicContact CB-CG1 4.18Å
283	R	93.5	Very high	96.3	Very high	134 Å²	134	41.6 Å²	41.6	51%	0.506	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.6	179	-73.2	-179.9	173.4	-125.1	-6.3	114.1	P248 P249 F383	P248-R283 HydrophobicContact CB-CG 4.03Å; P249-R283 WeakPolarHBondContact O-CG 3.35Å; R283-F383 HydrophobicContact CG-CE2 4.48Å
284	A	91.5	Very high	96.4	Very high	68 Å²	68	43.9 Å²	43.9	56%	0.562	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	12.5	171.3	0	0	0	0	0	111.7	D282 K286	D282-A284 PolarHBondContact O-N 2.99Å; D282-A284 VanDerWaalsContact OD1-CA 3.29Å; D282-A284 WeakPolarHBondContact OD1-CA 3.44Å; D282-A284 WeakPolarHBondContact OD1-CB 3.38Å; D282-A284 PolarHBondContact OD1-N 2.99Å; A284-K286 HydrophobicContact CB-CG 4.47Å; A284-K286 PolarHBondContact O-N 3.01Å
285	C	91.2	Very high	96.4	Very high	46 Å²	46	48 Å²	48	31%	0.311	26%	0.255	S	S	.	.	S	Bend	trans	60.3	27.1	178.9	-69.4	0	0	0	0	112.3	D282 C381	D282-C285 WeakPolarHBondContact O-CA 3.36Å; D282-C285 PolarHBondContact O-N 3.47Å; D282-C285 PolarHBondContact OD1-N 3.23Å; C285-C381 WeakPolarHBondContact CB-SG 3.19Å; C285-C381 WeakPolarHBondContact SG-CB 3.49Å; C285-C381 CovalentContact SG-SG 2.1Å; C285-C381 PolarHBondContact SG-SG 3.31Å
286	K	94.8	Very high	96.4	Very high	136 Å²	136	49 Å²	49	59%	0.591	26%	0.26	S	S	*	.			trans	-91.9	142.5	171.9	-63.1	178.9	179.2	175.2	0	111.2	I281 D282 A284 I288	I281-K286 CarbonylContact C-O 3.56Å; I281-K286 WeakPolarHBondContact CA-O 3.33Å; D282-K286 PolarHBondContact N-O 3.43Å; D282-K286 WeakPolarHBondContact OD1-CB 3.36Å; D282-K286 PolarHBondContact OD1-N 2.94Å; A284-K286 HydrophobicContact CB-CG 4.47Å; A284-K286 PolarHBondContact O-N 3.01Å; K286-I288 PolarHBondContact O-N 2.75Å
287	P	96.7	Very high	96.3	Very high	91 Å²	91	48.9 Å²	48.9	59%	0.591	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-61.9	134.2	179.9	-22.9	33.4	0	0	0	113.6	A280 T289	A280-P287 WeakPolarHBondContact O-CA 3.42Å; P287-T289 HydrophobicContact CB-CG2 4.47Å
288	I	97	Very high	96.2	Very high	9 Å²	9	52 Å²	52	5%	0.046	28%	0.278	C	S	.	.			trans	-99.4	102.8	166.9	-61.4	177.3	0	0	0	107.6	F243 P249 A280 I281 D282 K286 V293	F243-I288 HydrophobicContact CD1-CD1 3.86Å; F243-I288 HydrophobicContact CD1-CG2 3.94Å; F243-I288 HydrophobicContact CE1-CD1 4.15Å; F243-I288 HydrophobicContact CE1-CG2 4.14Å; F243-I288 HydrophobicContact CG-CG2 4.34Å; P249-I288 HydrophobicContact CG-CD1 3.53Å; A280-I288 HydrophobicContact CB-CB 4.37Å; A280-I288 PolarHBondContact O-N 3.25Å; I281-I288 WeakPolarHBondContact O-CD1 3.34Å; D282-I288 HydrophobicContact CB-CD1 4.04Å; D282-I288 HydrophobicContact CB-CG1 4.18Å; K286-I288 PolarHBondContact O-N 2.75Å; I288-V293 HydrophobicContact CG2-CG2 3.87Å
289	T	96.9	Very high	96.2	Very high	65 Å²	65	51.7 Å²	51.7	40%	0.399	29%	0.285	S	S	.	.			trans	-89.7	156.8	-179.2	69.7	0	0	0	0	112.1	P287 E291 I292 V293	P287-T289 HydrophobicContact CB-CG2 4.47Å; T289-E291 PolarHBondContact O-N 3.48Å; T289-I292 PolarHBondContact O-N 2.83Å; T289-I292 VanDerWaalsContact O-N 3.11Å; T289-I292 WeakPolarHBondContact OG1-CG1 3.1Å; T289-I292 PolarHBondContact OG1-N 3.16Å; T289-V293 PolarHBondContact O-N 3.11Å
290	C	97.5	Very high	96.2	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.027	31%	0.306	C	S	.	.	H	α-helix	trans	-55	-34.1	173.8	-65.2	0	0	0	0	112.9	I218 E220 V293 K294 I307	I218-C290 HydrophobicContact CG2-CB 3.91Å; E220-C290 PolarHBondContact OE2-SG 3.03Å; C290-V293 PolarHBondContact O-N 3.16Å; C290-K294 WeakPolarHBondContact O-CB 3.28Å; C290-K294 PolarHBondContact O-N 2.89Å; C290-I307 HydrophobicContact CB-CD1 3.8Å; C290-I307 HydrophobicContact CB-CG1 3.97Å; C290-I307 HydrophobicContact CB-CG2 3.71Å
291	E	97.9	Very high	96	Very high	79 Å²	79	57.8 Å²	57.8	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-70.5	-36.2	179.3	-162.3	63.1	-154.9	0	0	112.2	T289 V293 K294 N295 I307	T289-E291 PolarHBondContact O-N 3.48Å; E291-V293 VanDerWaalsContact C-N 3.34Å; E291-K294 PolarHBondContact O-N 3.49Å; E291-K294 IonicContact OE1-NZ 2.98Å; E291-K294 PolarHBondContact OE1-NZ 2.98Å; E291-K294 IonicContact OE2-NZ 2.72Å; E291-K294 PolarHBondContact OE2-NZ 2.92Å; E291-N295 WeakPolarHBondContact O-CB 3.42Å; E291-N295 PolarHBondContact O-N 3.34Å; E291-N295 PolarHBondContact O-ND2 2.88Å; E291-N295 PolarHBondContact OE1-OD1 3.29Å; E291-I307 HydrophobicContact CB-CD1 4.46Å; E291-I307 WeakPolarHBondContact OE2-CD1 3.09Å
292	I	97.1	Very high	95.8	Very high	65 Å²	65	64.7 Å²	64.7	33%	0.333	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-47.2	173.6	-67.9	169.1	0	0	0	109.9	W253 T289 N295 L296	W253-I292 HydrophobicContact CH2-CG2 4.22Å; W253-I292 HydrophobicContact CZ2-CG2 4.26Å; T289-I292 PolarHBondContact O-N 2.83Å; T289-I292 VanDerWaalsContact O-N 3.11Å; T289-I292 WeakPolarHBondContact OG1-CG1 3.1Å; T289-I292 PolarHBondContact OG1-N 3.16Å; I292-N295 PolarHBondContact O-N 3.37Å; I292-L296 PolarHBondContact O-N 3.15Å; I292-L296 VanDerWaalsContact O-N 3.13Å
293	V	97.5	Very high	95.7	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-43.2	-179.9	-180	0	0	0	0	111.1	I218 F243 W253 L257 I274 I288 T289 C290 E291 L296 I297	I218-V293 HydrophobicContact CD1-CB 4.02Å; I218-V293 HydrophobicContact CD1-CG1 3.78Å; I218-V293 HydrophobicContact CG1-CG1 4.2Å; F243-V293 HydrophobicContact CD2-CG2 4.4Å; F243-V293 HydrophobicContact CE2-CG1 4.26Å; F243-V293 HydrophobicContact CE2-CG2 3.9Å; F243-V293 HydrophobicContact CZ-CG2 4.12Å; W253-V293 HydrophobicContact CH2-CG2 4.22Å; W253-V293 HydrophobicContact CZ3-CG2 4.41Å; L257-V293 HydrophobicContact CD2-CG1 4.04Å; I274-V293 HydrophobicContact CD1-CG1 4.06Å; I274-V293 HydrophobicContact CG2-CG1 4.27Å; I288-V293 HydrophobicContact CG2-CG2 3.87Å; T289-V293 PolarHBondContact O-N 3.11Å; C290-V293 PolarHBondContact O-N 3.16Å; E291-V293 VanDerWaalsContact C-N 3.34Å; V293-L296 PolarHBondContact O-N 3.35Å; V293-I297 HydrophobicContact CG1-CD1 3.85Å; V293-I297 VanDerWaalsContact O-CG1 3.31Å; V293-I297 WeakPolarHBondContact O-CG1 3.21Å; V293-I297 PolarHBondContact O-N 2.86Å; V293-I297 VanDerWaalsContact O-N 3.11Å
294	K	98	Very high	95.8	Very high	56 Å²	56	61 Å²	61	24%	0.243	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-50.1	176.7	176.8	-175.4	154.6	-144.8	0	111.7	I218 C290 E291 L296 I297 V298 T305 I307	I218-K294 VanDerWaalsContact CD1-CA 3.45Å; I218-K294 HydrophobicContact CD1-CB 3.64Å; I218-K294 VanDerWaalsContact CD1-N 3.32Å; C290-K294 WeakPolarHBondContact O-CB 3.28Å; C290-K294 PolarHBondContact O-N 2.89Å; E291-K294 PolarHBondContact O-N 3.49Å; E291-K294 IonicContact OE1-NZ 2.98Å; E291-K294 PolarHBondContact OE1-NZ 2.98Å; E291-K294 IonicContact OE2-NZ 2.72Å; E291-K294 PolarHBondContact OE2-NZ 2.92Å; K294-L296 VanDerWaalsContact C-N 3.28Å; K294-L296 PolarHBondContact O-N 3.42Å; K294-I297 PolarHBondContact O-N 2.92Å; K294-V298 HydrophobicContact CG-CG2 4.3Å; K294-V298 WeakPolarHBondContact O-CG2 3.45Å; K294-V298 PolarHBondContact O-N 3.01Å; K294-T305 HydrophobicContact CB-CG2 4.36Å; K294-T305 HydrophobicContact CG-CG2 4.07Å; K294-I307 HydrophobicContact CB-CD1 3.93Å; K294-I307 HydrophobicContact CB-CG1 4.18Å; K294-I307 HydrophobicContact CD-CD1 3.53Å; K294-I307 HydrophobicContact CD-CG1 3.88Å; K294-I307 HydrophobicContact CG-CD1 4.37Å
295	N	97.7	Very high	96.1	Very high	88 Å²	88	57.8 Å²	57.8	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-41.9	-177.6	-74.2	-23.1	0	0	0	111.1	E291 I292 V298 S299	E291-N295 WeakPolarHBondContact O-CB 3.42Å; E291-N295 PolarHBondContact O-N 3.34Å; E291-N295 PolarHBondContact O-ND2 2.88Å; E291-N295 PolarHBondContact OE1-OD1 3.29Å; I292-N295 PolarHBondContact O-N 3.37Å; N295-V298 PolarHBondContact O-N 2.95Å; N295-S299 WeakPolarHBondContact O-CB 3.2Å; N295-S299 PolarHBondContact O-N 3.05Å; N295-S299 PolarHBondContact O-OG 2.53Å; N295-S299 VanDerWaalsContact O-OG 3.05Å
296	L	97.1	Very high	96.4	Very high	20 Å²	20	60.4 Å²	60.4	11%	0.105	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-50.1	173.8	175.2	71.3	0	0	0	112.2	W253 R254 L257 I292 V293 K294 V298 S299 E300	W253-L296 HydrophobicContact CE3-CD2 4.28Å; W253-L296 HydrophobicContact CH2-CD2 3.89Å; W253-L296 HydrophobicContact CZ3-CD2 3.53Å; R254-L296 HydrophobicContact CB-CD1 3.91Å; R254-L296 HydrophobicContact CB-CD2 3.85Å; R254-L296 HydrophobicContact CG-CD1 4.23Å; R254-L296 HydrophobicContact CG-CD2 3.94Å; L257-L296 HydrophobicContact CD2-CD2 4.17Å; I292-L296 PolarHBondContact O-N 3.15Å; I292-L296 VanDerWaalsContact O-N 3.13Å; V293-L296 PolarHBondContact O-N 3.35Å; K294-L296 VanDerWaalsContact C-N 3.28Å; K294-L296 PolarHBondContact O-N 3.42Å; L296-V298 VanDerWaalsContact C-N 3.35Å; L296-V298 PolarHBondContact O-N 2.99Å; L296-S299 PolarHBondContact O-N 3.17Å; L296-S299 PolarHBondContact O-OG 3.13Å; L296-E300 HydrophobicContact CD1-CG 3.71Å; L296-E300 VanDerWaalsContact O-CB 3.3Å; L296-E300 WeakPolarHBondContact O-CB 3.33Å; L296-E300 WeakPolarHBondContact O-CG 3.46Å; L296-E300 PolarHBondContact O-N 3.32Å
297	I	96.9	Very high	96.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-39.7	-176.5	-65.9	166.6	0	0	0	111	I218 L257 L261 I274 V293 K294 L301 Q302 L303 T305	I218-I297 HydrophobicContact CD1-CD1 4.29Å; L257-I297 HydrophobicContact CD2-CD1 4.42Å; L257-I297 HydrophobicContact CD2-CG1 4.46Å; L261-I297 HydrophobicContact CD1-CD1 3.87Å; L261-I297 HydrophobicContact CD1-CG1 3.9Å; L261-I297 HydrophobicContact CD1-CG2 4.48Å; I274-I297 HydrophobicContact CD1-CD1 3.22Å; V293-I297 HydrophobicContact CG1-CD1 3.85Å; V293-I297 VanDerWaalsContact O-CG1 3.31Å; V293-I297 WeakPolarHBondContact O-CG1 3.21Å; V293-I297 PolarHBondContact O-N 2.86Å; V293-I297 VanDerWaalsContact O-N 3.11Å; K294-I297 PolarHBondContact O-N 2.92Å; I297-L301 HydrophobicContact CG2-CD1 4.45Å; I297-L301 CarbonylContact O-C 3.56Å; I297-L301 WeakPolarHBondContact O-CA 3.44Å; I297-L301 WeakPolarHBondContact O-CB 3.39Å; I297-L301 PolarHBondContact O-N 3.32Å; I297-Q302 PolarHBondContact O-N 2.93Å; I297-L303 HydrophobicContact CG2-CB 3.93Å; I297-L303 HydrophobicContact CG2-CD1 4.18Å; I297-L303 HydrophobicContact CG2-CG 4.45Å; I297-T305 VanDerWaalsContact CG2-OG1 3.24Å; I297-T305 WeakPolarHBondContact CG2-OG1 3.19Å
298	V	96.9	Very high	96.6	Very high	65 Å²	65	54 Å²	54	39%	0.394	28%	0.277	S	S	.	.	H	α-helix	trans	-68.1	-43.8	178	173.6	0	0	0	0	110.9	K294 N295 L296 Q302	K294-V298 HydrophobicContact CG-CG2 4.3Å; K294-V298 WeakPolarHBondContact O-CG2 3.45Å; K294-V298 PolarHBondContact O-N 3.01Å; N295-V298 PolarHBondContact O-N 2.95Å; L296-V298 VanDerWaalsContact C-N 3.35Å; L296-V298 PolarHBondContact O-N 2.99Å; V298-Q302 VanDerWaalsContact O-CA 3.25Å; V298-Q302 WeakPolarHBondContact O-CA 3.18Å; V298-Q302 PolarHBondContact O-N 2.57Å; V298-Q302 VanDerWaalsContact O-N 3.14Å
299	S	96.2	Very high	96.6	Very high	76 Å²	76	57.4 Å²	57.4	53%	0.531	30%	0.299	S	S	.	.	H	α-helix	trans	-71.4	-45.1	-178.2	66.2	0	0	0	0	112.7	N295 L296	N295-S299 WeakPolarHBondContact O-CB 3.2Å; N295-S299 PolarHBondContact O-N 3.05Å; N295-S299 PolarHBondContact O-OG 2.53Å; N295-S299 VanDerWaalsContact O-OG 3.05Å; L296-S299 PolarHBondContact O-N 3.17Å; L296-S299 PolarHBondContact O-OG 3.13Å
300	E	95.7	Very high	96.6	Very high	118 Å²	118	55.1 Å²	55.1	55%	0.551	28%	0.284	S	S	*	.	H	α-helix	trans	-88.6	-31.1	-171.8	-63.6	-58.1	137.7	0	0	113.8	L296	L296-E300 HydrophobicContact CD1-CG 3.71Å; L296-E300 VanDerWaalsContact O-CB 3.3Å; L296-E300 WeakPolarHBondContact O-CB 3.33Å; L296-E300 WeakPolarHBondContact O-CG 3.46Å; L296-E300 PolarHBondContact O-N 3.32Å
301	L	93.9	Very high	96.5	Very high	26 Å²	26	55.9 Å²	55.9	14%	0.136	29%	0.292	C	S	.	.	H	α-helix	trans	-117.1	-9.7	-175.3	-58.1	178.5	0	0	0	113.9	C258 L261 R262 I297 L303	C258-L301 HydrophobicContact CB-CD1 4.37Å; C258-L301 HydrophobicContact CB-CD2 4.19Å; C258-L301 HydrophobicContact CB-CG 4.3Å; L261-L301 HydrophobicContact CB-CD1 3.66Å; L261-L301 HydrophobicContact CD1-CD1 3.93Å; L261-L301 HydrophobicContact CG-CD1 4.44Å; R262-L301 HydrophobicContact CB-CD2 4.13Å; I297-L301 HydrophobicContact CG2-CD1 4.45Å; I297-L301 CarbonylContact O-C 3.56Å; I297-L301 WeakPolarHBondContact O-CA 3.44Å; I297-L301 WeakPolarHBondContact O-CB 3.39Å; I297-L301 PolarHBondContact O-N 3.32Å; L301-L303 HydrophobicContact CB-CD1 4.11Å; L301-L303 HydrophobicContact CB-CG 3.84Å; L301-L303 HydrophobicContact CD1-CD1 4.03Å; L301-L303 PolarHBondContact O-N 3.35Å; L301-L303 VanDerWaalsContact O-N 3.08Å
302	Q	93.6	Very high	96.4	Very high	173 Å²	173	58.8 Å²	58.8	81%	0.808	31%	0.305	S	S	*	.			trans	54.3	28	-178.7	-57.4	175.6	5.2	0	0	113.4	I297 V298	I297-Q302 PolarHBondContact O-N 2.93Å; V298-Q302 VanDerWaalsContact O-CA 3.25Å; V298-Q302 WeakPolarHBondContact O-CA 3.18Å; V298-Q302 PolarHBondContact O-N 2.57Å; V298-Q302 VanDerWaalsContact O-N 3.14Å
303	L	93.2	Very high	96.4	Very high	31 Å²	31	59.7 Å²	59.7	16%	0.162	31%	0.314	C	S	.	.			trans	-83.1	136.3	177.5	-61.4	178.5	0	0	0	110.6	R265 I297 L301 T305	R265-L303 HydrophobicContact CG-CD1 4.3Å; I297-L303 HydrophobicContact CG2-CB 3.93Å; I297-L303 HydrophobicContact CG2-CD1 4.18Å; I297-L303 HydrophobicContact CG2-CG 4.45Å; L301-L303 HydrophobicContact CB-CD1 4.11Å; L301-L303 HydrophobicContact CB-CG 3.84Å; L301-L303 HydrophobicContact CD1-CD1 4.03Å; L301-L303 PolarHBondContact O-N 3.35Å; L301-L303 VanDerWaalsContact O-N 3.08Å; L303-T305 PolarHBondContact O-N 3.32Å; L303-T305 PolarHBondContact O-OG1 2.94Å
304	D	95	Very high	96.4	Very high	64 Å²	64	59.8 Å²	59.8	34%	0.342	31%	0.314	S	S	.	.			trans	-65.5	103.7	173.5	-170.5	22.9	0	0	0	110	R215 C216 R306	R215-D304 WeakPolarHBondContact CA-O 3.41Å; R215-D304 WeakPolarHBondContact CB-O 3.35Å; R215-D304 HydrophobicContact CG-CB 4.1Å; R215-D304 IonicContact CZ-OD2 2.68Å; R215-D304 IonicContact NE-OD2 3.57Å; R215-D304 PolarHBondContact NE-OD2 3.37Å; R215-D304 IonicContact NH2-OD2 3.44Å; R215-D304 PolarHBondContact NH2-OD2 2.82Å; C216-D304 PolarHBondContact N-O 2.77Å; D304-R306 IonicContact OD1-CZ 3.94Å; D304-R306 IonicContact OD1-NH1 3.31Å; D304-R306 PolarHBondContact OD1-NH1 2.89Å; D304-R306 IonicContact OD1-NH2 3.76Å; D304-R306 PolarHBondContact OD1-NH2 3.12Å; D304-R306 IonicContact OD2-NH2 2.79Å; D304-R306 PolarHBondContact OD2-NH2 2.75Å
305	T	96.8	Very high	96.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.5	-168.3	-54.9	0	0	0	0	111.4	C216 I218 K294 I297 L303	C216-T305 HydrophobicContact CB-CG2 4.11Å; C216-T305 CarbonylContact O-C 3.59Å; C216-T305 VanDerWaalsContact O-CA 3.27Å; C216-T305 WeakPolarHBondContact O-CA 3.44Å; I218-T305 HydrophobicContact CD1-CG2 3.62Å; I218-T305 HydrophobicContact CG1-CG2 4.05Å; K294-T305 HydrophobicContact CB-CG2 4.36Å; K294-T305 HydrophobicContact CG-CG2 4.07Å; I297-T305 VanDerWaalsContact CG2-OG1 3.24Å; I297-T305 WeakPolarHBondContact CG2-OG1 3.19Å; L303-T305 PolarHBondContact O-N 3.32Å; L303-T305 PolarHBondContact O-OG1 2.94Å
306	R	97.5	Very high	96.1	Very high	102 Å²	102	56 Å²	56	39%	0.385	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.9	178.9	-65.5	-67.1	176	-78.6	-11.5	110.9	C216 F217 I218 D304	C216-R306 PolarHBondContact O-N 3.11Å; F217-R306 WeakPolarHBondContact CA-O 3.36Å; F217-R306 HydrophobicContact CD1-CB 3.88Å; F217-R306 HydrophobicContact CE1-CB 3.68Å; F217-R306 HydrophobicContact CE1-CG 4.33Å; F217-R306 HydrophobicContact CZ-CB 4.17Å; F217-R306 HydrophobicContact CZ-CG 4.38Å; I218-R306 PolarHBondContact N-O 3.49Å; D304-R306 IonicContact OD1-CZ 3.94Å; D304-R306 IonicContact OD1-NH1 3.31Å; D304-R306 PolarHBondContact OD1-NH1 2.89Å; D304-R306 IonicContact OD1-NH2 3.76Å; D304-R306 PolarHBondContact OD1-NH2 3.12Å; D304-R306 IonicContact OD2-NH2 2.79Å; D304-R306 PolarHBondContact OD2-NH2 2.75Å
307	I	98.1	Very high	95.9	Very high	49 Å²	49	57 Å²	57	25%	0.251	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.6	172.1	-63.9	165.3	0	0	0	107.8	I218 C290 E291 K294 V309	I218-I307 HydrophobicContact CB-CG1 4.25Å; I218-I307 HydrophobicContact CD1-CG1 4.34Å; I218-I307 CarbonylContact O-C 3.44Å; I218-I307 WeakPolarHBondContact O-CA 3.33Å; C290-I307 HydrophobicContact CB-CD1 3.8Å; C290-I307 HydrophobicContact CB-CG1 3.97Å; C290-I307 HydrophobicContact CB-CG2 3.71Å; E291-I307 HydrophobicContact CB-CD1 4.46Å; E291-I307 WeakPolarHBondContact OE2-CD1 3.09Å; K294-I307 HydrophobicContact CB-CD1 3.93Å; K294-I307 HydrophobicContact CB-CG1 4.18Å; K294-I307 HydrophobicContact CD-CD1 3.53Å; K294-I307 HydrophobicContact CD-CG1 3.88Å; K294-I307 HydrophobicContact CG-CD1 4.37Å; I307-V309 HydrophobicContact CG2-CG2 4.16Å
308	T	97.8	Very high	95.9	Very high	42 Å²	42	60.4 Å²	60.4	26%	0.258	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.6	167.5	-52.8	0	0	0	0	108.6	I206 I218 L219 E220 L310	I206-T308 HydrophobicContact CD1-CG2 3.89Å; I218-T308 PolarHBondContact O-N 2.9Å; L219-T308 WeakPolarHBondContact CA-O 3.33Å; E220-T308 PolarHBondContact N-O 3.05Å; T308-L310 HydrophobicContact CG2-CD2 4.12Å
309	V	97.8	Very high	95.9	Very high	82 Å²	82	57.5 Å²	57.5	50%	0.497	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	109.2	170.6	-178.5	0	0	0	0	107.2	E220 I307 G311	E220-V309 HydrophobicContact CB-CB 4.28Å; E220-V309 HydrophobicContact CB-CG1 4.22Å; E220-V309 HydrophobicContact CB-CG2 4Å; I307-V309 HydrophobicContact CG2-CG2 4.16Å; V309-G311 VanDerWaalsContact C-N 3.29Å; V309-G311 PolarHBondContact O-N 2.98Å
310	L	96.8	Very high	96	Very high	17 Å²	17	54.1 Å²	54.1	9%	0.089	30%	0.299	C	S	.	.			trans	-64.8	-39.2	-178.1	-61.9	-174.2	0	0	0	110.8	I199 A202 E220 V221 T308 V313 Q314	I199-L310 HydrophobicContact CB-CD1 4.27Å; I199-L310 HydrophobicContact CG1-CD1 4.06Å; I199-L310 HydrophobicContact CG2-CD1 4.1Å; A202-L310 HydrophobicContact CB-CD1 4.3Å; A202-L310 HydrophobicContact CB-CD2 3.57Å; E220-L310 PolarHBondContact O-N 3.3Å; V221-L310 HydrophobicContact CG2-CD1 4.46Å; T308-L310 HydrophobicContact CG2-CD2 4.12Å; L310-V313 HydrophobicContact CB-CG2 4.1Å; L310-V313 VanDerWaalsContact O-CG2 3.23Å; L310-V313 WeakPolarHBondContact O-CG2 3.18Å; L310-Q314 HydrophobicContact CB-CG 4.11Å; L310-Q314 HydrophobicContact CD1-CG 4.4Å
311	G	95.8	Very high	96.2	Very high	19 Å²	19	48.5 Å²	48.5	20%	0.196	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	58.4	-142.9	178.7	0	0	0	0	0	112.5	V309 V313 Q314	V309-G311 VanDerWaalsContact C-N 3.29Å; V309-G311 PolarHBondContact O-N 2.98Å; G311-V313 PolarHBondContact O-N 3.49Å; G311-V313 VanDerWaalsContact O-N 3.1Å; G311-Q314 WeakPolarHBondContact O-CB 3.38Å; G311-Q314 WeakPolarHBondContact O-CG 3.36Å; G311-Q314 PolarHBondContact O-N 3.13Å; G311-Q314 PolarHBondContact O-NE2 3.32Å
312	H	95.6	Very high	96.4	Very high	141 Å²	141	49.5 Å²	49.5	65%	0.653	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-71.7	-4.7	-167.7	-66.2	83.2	0	0	0	115.3	Q314 R315 G316	H312-Q314 PolarHBondContact O-N 2.94Å; H312-Q314 VanDerWaalsContact O-N 3.09Å; H312-R315 PolarHBondContact O-N 2.95Å; H312-G316 PolarHBondContact O-N 3.38Å
313	V	96.5	Very high	96.6	Very high	84 Å²	84	41.3 Å²	41.3	51%	0.509	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-58.1	-22.7	168.9	-53.9	0	0	0	0	111.6	R198 L310 G311	R198-V313 VanDerWaalsContact CG-O 3.26Å; R198-V313 WeakPolarHBondContact CG-O 2.99Å; L310-V313 HydrophobicContact CB-CG2 4.1Å; L310-V313 VanDerWaalsContact O-CG2 3.23Å; L310-V313 WeakPolarHBondContact O-CG2 3.18Å; G311-V313 PolarHBondContact O-N 3.49Å; G311-V313 VanDerWaalsContact O-N 3.1Å
314	Q	97.9	Very high	96.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-73.3	-23.9	175.7	-63.5	170	88.7	0	0	113.7	Q42 I179 A195 I199 M222 L310 G311 H312	Q42-Q314 PolarHBondContact NE2-O 3.22Å; I179-Q314 HydrophobicContact CD1-CB 4.3Å; A195-Q314 WeakPolarHBondContact CA-O 3.38Å; A195-Q314 WeakPolarHBondContact CB-O 3.4Å; I199-Q314 HydrophobicContact CG1-CG 3.93Å; M222-Q314 VanDerWaalsContact CG-NE2 3.34Å; M222-Q314 HydrophobicContact SD-CB 4.36Å; L310-Q314 HydrophobicContact CB-CG 4.11Å; L310-Q314 HydrophobicContact CD1-CG 4.4Å; G311-Q314 WeakPolarHBondContact O-CB 3.38Å; G311-Q314 WeakPolarHBondContact O-CG 3.36Å; G311-Q314 PolarHBondContact O-N 3.13Å; G311-Q314 PolarHBondContact O-NE2 3.32Å; H312-Q314 PolarHBondContact O-N 2.94Å; H312-Q314 VanDerWaalsContact O-N 3.09Å
315	R	95.3	Very high	96.9	Very high	34 Å²	34	37.4 Å²	37.4	13%	0.128	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-24	175.5	-66.3	-172	-170	-88.7	-8.7	113.1	Q42 I179 D180 M222 H312	Q42-R315 VanDerWaalsContact CD-C 3.5Å; Q42-R315 WeakPolarHBondContact CG-O 3.35Å; Q42-R315 PolarHBondContact NE2-O 3.34Å; Q42-R315 PolarHBondContact OE1-O 2.77Å; I179-R315 HydrophobicContact CD1-CG 3.65Å; I179-R315 HydrophobicContact CG1-CG 4.37Å; I179-R315 HydrophobicContact CG2-CG 4.41Å; D180-R315 IonicContact OD1-NH2 2.67Å; M222-R315 HydrophobicContact SD-CG 4.41Å; H312-R315 PolarHBondContact O-N 2.95Å
316	G	92.8	Very high	96.9	Very high	30 Å²	30	37.5 Å²	37.5	31%	0.309	22%	0.217	S	C	.	.			trans	-87	176.3	-177.9	0	0	0	0	0	114.5	Q42 H312	Q42-G316 PolarHBondContact NE2-O 2.67Å; H312-G316 PolarHBondContact O-N 3.38Å
317	G	94.3	Very high	96.9	Very high	42 Å²	42	32.6 Å²	32.6	43%	0.433	20%	0.199	S	C	.	.	S	Bend	trans	93	174.3	177.9	0	0	0	0	0	113.8	G94	G94-G317 WeakPolarHBondContact CA-O 3.49Å
318	S	96.1	Very high	96.9	Very high	71 Å²	71	30.3 Å²	30.3	50%	0.497	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-72.3	144.1	175.8	-56.2	0	0	0	0	110.2	Q92	Q92-S318 WeakPolarHBondContact O-CB 3.33Å; Q92-S318 PolarHBondContact O-OG 2.68Å
319	P	98.1	Very high	96.8	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.026	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-65	146.6	174.9	24.3	-29.8	0	0	0	111.5	Q42 L91 Q92 S194 D323 R324	Q42-P319 HydrophobicContact CB-CB 3.88Å; L91-P319 WeakPolarHBondContact O-CG 3.25Å; Q92-P319 WeakPolarHBondContact O-CD 3.3Å; S194-P319 WeakPolarHBondContact OG-CA 3.27Å; P319-D323 HydrophobicContact CB-CB 4.2Å; P319-R324 HydrophobicContact CB-CG 3.94Å; P319-R324 HydrophobicContact CG-CG 3.66Å; P319-R324 PolarHBondContact O-NE 3.09Å; P319-R324 PolarHBondContact O-NH2 3.24Å; P319-R324 VanDerWaalsContact O-NH2 3.08Å
320	S	98.4	Very high	96.7	Very high	6 Å²	6	25 Å²	25	4%	0.042	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-59.6	161.6	167.9	71.3	0	0	0	0	110.6	D193 S194 F322 D323 R324	D193-S320 WeakPolarHBondContact OD2-CB 3.4Å; D193-S320 PolarHBondContact OD2-OG 3.13Å; S194-S320 PolarHBondContact OG-N 3.44Å; S320-F322 PolarHBondContact O-N 2.83Å; S320-D323 PolarHBondContact O-N 2.77Å; S320-D323 PolarHBondContact OG-N 3.22Å; S320-D323 VanDerWaalsContact OG-N 3.15Å; S320-R324 VanDerWaalsContact O-CG 3.31Å; S320-R324 WeakPolarHBondContact O-CG 3.48Å; S320-R324 PolarHBondContact O-N 2.9Å; S320-R324 VanDerWaalsContact O-N 3.13Å
321	A	98.3	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-39.7	176.3	0	0	0	0	0	111.5	R324 I325 L567 N568 T571 A608	A321-R324 PolarHBondContact O-N 3.38Å; A321-I325 WeakPolarHBondContact O-CD1 3.48Å; A321-I325 WeakPolarHBondContact O-CG1 3.26Å; A321-I325 PolarHBondContact O-N 2.74Å; A321-L567 HydrophobicContact CB-CD1 4.25Å; A321-L567 HydrophobicContact CB-CD2 4.06Å; A321-L567 HydrophobicContact CB-CG 3.58Å; A321-N568 PolarHBondContact N-OD1 3.07Å; A321-T571 HydrophobicContact CB-CG2 4.3Å; A321-T571 WeakPolarHBondContact CB-OG1 3.21Å; A321-A608 HydrophobicContact CB-CB 4.15Å
322	F	97.7	Very high	96.7	Very high	47 Å²	47	23.5 Å²	23.5	21%	0.206	14%	0.141	C	C	.	.	H	α-helix	trans	-57.7	-50.8	175.5	178	-90.3	0	0	0	111.9	M188 D193 S320 R324 I325 L326 L354	M188-F322 HydrophobicContact CB-CE1 4.28Å; M188-F322 HydrophobicContact CB-CZ 4.29Å; M188-F322 HydrophobicContact CG-CE1 3.63Å; M188-F322 HydrophobicContact CG-CZ 4.09Å; D193-F322 HydrophobicContact CB-CD1 3.7Å; D193-F322 HydrophobicContact CB-CE1 4.37Å; D193-F322 HydrophobicContact CB-CG 4.45Å; S320-F322 PolarHBondContact O-N 2.83Å; F322-R324 VanDerWaalsContact C-N 3.29Å; F322-R324 PolarHBondContact O-N 3.03Å; F322-I325 PolarHBondContact O-N 3.1Å; F322-I325 VanDerWaalsContact O-N 3.16Å; F322-L326 HydrophobicContact CD1-CB 4.48Å; F322-L326 HydrophobicContact CE1-CB 4.14Å; F322-L326 HydrophobicContact CE1-CD2 3.67Å; F322-L326 HydrophobicContact CE1-CG 4.38Å; F322-L326 HydrophobicContact CZ-CB 4.47Å; F322-L326 HydrophobicContact CZ-CD1 4.46Å; F322-L326 HydrophobicContact CZ-CD2 4.15Å; F322-L326 VanDerWaalsContact O-CB 3.28Å; F322-L326 WeakPolarHBondContact O-CB 3.42Å; F322-L326 PolarHBondContact O-N 3.19Å; F322-L354 HydrophobicContact CE2-CD2 4.48Å; F322-L354 HydrophobicContact CZ-CD2 3.93Å
323	D	98.2	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.1	-28.8	-179	-83	-41.6	0	0	0	113.3	G191 S194 P319 S320 G327	G191-D323 WeakPolarHBondContact CA-OD2 3.38Å; G191-D323 PolarHBondContact N-OD1 3.22Å; G191-D323 PolarHBondContact N-OD2 2.86Å; S194-D323 WeakPolarHBondContact CB-OD2 3.42Å; S194-D323 PolarHBondContact N-OD2 3.39Å; S194-D323 PolarHBondContact OG-OD2 3.45Å; P319-D323 HydrophobicContact CB-CB 4.2Å; S320-D323 PolarHBondContact O-N 2.77Å; S320-D323 PolarHBondContact OG-N 3.22Å; S320-D323 VanDerWaalsContact OG-N 3.15Å; D323-G327 PolarHBondContact O-N 3.37Å
324	R	98.3	Very high	96.8	Very high	6 Å²	6	13 Å²	13	2%	0.023	9%	0.087	C	C	.	.	H	α-helix	trans	-66.3	-45.6	171.6	-66.2	175.2	-158.3	-151.6	-0.3	111.6	A46 L91 P319 S320 A321 F322 S328 D575 A608	A46-R324 WeakPolarHBondContact CB-O 3.4Å; L91-R324 HydrophobicContact CD1-CB 4.2Å; L91-R324 HydrophobicContact CD1-CG 4.47Å; L91-R324 HydrophobicContact CG-CB 4.43Å; L91-R324 HydrophobicContact CG-CG 4.38Å; P319-R324 HydrophobicContact CB-CG 3.94Å; P319-R324 HydrophobicContact CG-CG 3.66Å; P319-R324 PolarHBondContact O-NE 3.09Å; P319-R324 PolarHBondContact O-NH2 3.24Å; P319-R324 VanDerWaalsContact O-NH2 3.08Å; S320-R324 VanDerWaalsContact O-CG 3.31Å; S320-R324 WeakPolarHBondContact O-CG 3.48Å; S320-R324 PolarHBondContact O-N 2.9Å; S320-R324 VanDerWaalsContact O-N 3.13Å; A321-R324 PolarHBondContact O-N 3.38Å; F322-R324 VanDerWaalsContact C-N 3.29Å; F322-R324 PolarHBondContact O-N 3.03Å; R324-S328 WeakPolarHBondContact O-CB 3.24Å; R324-S328 PolarHBondContact O-N 2.99Å; R324-S328 PolarHBondContact O-OG 3.04Å; R324-D575 IonicContact CZ-OD2 3.39Å; R324-D575 VanDerWaalsContact NH1-CG 3.3Å; R324-D575 IonicContact NH1-OD1 3.45Å; R324-D575 PolarHBondContact NH1-OD1 2.67Å; R324-D575 IonicContact NH1-OD2 2.76Å; R324-D575 PolarHBondContact NH1-OD2 3.22Å; R324-D575 IonicContact NH2-OD2 3.26Å; R324-D575 PolarHBondContact NH2-OD2 3.11Å; R324-A608 HydrophobicContact CB-CB 4.35Å; R324-A608 WeakPolarHBondContact CD-O 3.3Å
325	I	97.5	Very high	96.7	Very high	7 Å²	7	12.9 Å²	12.9	4%	0.036	9%	0.087	C	C	.	.	H	α-helix	trans	-67.8	-47.9	178.8	-70.7	155.4	0	0	0	109.8	A321 F322 G327 S328 R329 L567 M604 L607 A608	A321-I325 WeakPolarHBondContact O-CD1 3.48Å; A321-I325 WeakPolarHBondContact O-CG1 3.26Å; A321-I325 PolarHBondContact O-N 2.74Å; F322-I325 PolarHBondContact O-N 3.1Å; F322-I325 VanDerWaalsContact O-N 3.16Å; I325-G327 PolarHBondContact O-N 3.17Å; I325-S328 WeakPolarHBondContact O-CB 3.27Å; I325-S328 PolarHBondContact O-N 2.97Å; I325-S328 VanDerWaalsContact O-N 3.11Å; I325-R329 HydrophobicContact CG2-CG 4.18Å; I325-R329 WeakPolarHBondContact O-CB 3.44Å; I325-R329 VanDerWaalsContact O-CG 3.27Å; I325-R329 WeakPolarHBondContact O-CG 3.25Å; I325-R329 PolarHBondContact O-N 3.42Å; I325-L567 HydrophobicContact CD1-CD2 3.81Å; I325-M604 HydrophobicContact CD1-CB 4.29Å; I325-M604 HydrophobicContact CD1-CE 3.69Å; I325-M604 HydrophobicContact CG1-CE 4.33Å; I325-M604 HydrophobicContact CG2-CE 3.85Å; I325-L607 HydrophobicContact CG1-CB 4.49Å; I325-L607 HydrophobicContact CG1-CD2 4.28Å; I325-L607 HydrophobicContact CG1-CG 4.33Å; I325-L607 HydrophobicContact CG2-CD2 4Å; I325-A608 HydrophobicContact CD1-CB 3.96Å; I325-A608 HydrophobicContact CG1-CB 3.91Å
326	L	97	Very high	96.6	Very high	3 Å²	3	12 Å²	12	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-57.5	-51.5	179.1	-176.8	65.2	0	0	0	110.9	M188 I190 F322 S328 R329 M330 L354	M188-L326 HydrophobicContact CG-CD2 4.43Å; I190-L326 HydrophobicContact CG1-CD2 4.04Å; I190-L326 HydrophobicContact CG1-CG 4.16Å; F322-L326 HydrophobicContact CD1-CB 4.48Å; F322-L326 HydrophobicContact CE1-CB 4.14Å; F322-L326 HydrophobicContact CE1-CD2 3.67Å; F322-L326 HydrophobicContact CE1-CG 4.38Å; F322-L326 HydrophobicContact CZ-CB 4.47Å; F322-L326 HydrophobicContact CZ-CD1 4.46Å; F322-L326 HydrophobicContact CZ-CD2 4.15Å; F322-L326 VanDerWaalsContact O-CB 3.28Å; F322-L326 WeakPolarHBondContact O-CB 3.42Å; F322-L326 PolarHBondContact O-N 3.19Å; L326-S328 VanDerWaalsContact C-N 3.27Å; L326-S328 PolarHBondContact O-N 2.99Å; L326-R329 PolarHBondContact O-N 3.14Å; L326-M330 HydrophobicContact CD1-CE 3.56Å; L326-M330 HydrophobicContact CD1-CG 4.18Å; L326-M330 HydrophobicContact CD1-SD 3.88Å; L326-M330 HydrophobicContact CD2-CE 4.32Å; L326-M330 HydrophobicContact CD2-SD 4.33Å; L326-M330 HydrophobicContact CG-CE 4.04Å; L326-M330 HydrophobicContact CG-CG 4.43Å; L326-M330 HydrophobicContact CG-SD 3.8Å; L326-M330 WeakPolarHBondContact O-CB 3.31Å; L326-M330 WeakPolarHBondContact O-CG 3.42Å; L326-M330 PolarHBondContact O-N 3.38Å; L326-L354 HydrophobicContact CD1-CB 4.3Å; L326-L354 HydrophobicContact CD1-CD1 4.17Å; L326-L354 HydrophobicContact CD1-CD2 4.11Å; L326-L354 HydrophobicContact CD1-CG 4.44Å
327	G	96.9	Very high	96.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.9	-40.6	175.9	0	0	0	0	0	111.9	A47 D323 I325 G331	A47-G327 VanDerWaalsContact CA-O 3.22Å; A47-G327 WeakPolarHBondContact CA-O 3.34Å; D323-G327 PolarHBondContact O-N 3.37Å; I325-G327 PolarHBondContact O-N 3.17Å; G327-G331 PolarHBondContact O-N 3.24Å
328	S	96.9	Very high	96.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.8	-43.3	178.5	-59.6	0	0	0	0	112.9	A50 R324 I325 L326 A332	A50-S328 WeakPolarHBondContact CB-O 3.4Å; R324-S328 WeakPolarHBondContact O-CB 3.24Å; R324-S328 PolarHBondContact O-N 2.99Å; R324-S328 PolarHBondContact O-OG 3.04Å; I325-S328 WeakPolarHBondContact O-CB 3.27Å; I325-S328 PolarHBondContact O-N 2.97Å; I325-S328 VanDerWaalsContact O-N 3.11Å; L326-S328 VanDerWaalsContact C-N 3.27Å; L326-S328 PolarHBondContact O-N 2.99Å; S328-A332 WeakPolarHBondContact O-CB 3.23Å; S328-A332 PolarHBondContact O-N 3.22Å; S328-A332 VanDerWaalsContact O-N 3.16Å
329	R	96	Very high	96.5	Very high	9 Å²	9	5.3 Å²	5.3	3%	0.034	3%	0.026	C	C	.	.	H	α-helix	trans	-62.9	-52.8	176.5	-70.1	169.7	69.4	178.8	7.1	110.8	E18 I325 L326 G331 A332 E333 N357 L767 L770	E18-R329 VanDerWaalsContact CD-NH2 3.35Å; E18-R329 IonicContact OE1-CZ 2.7Å; E18-R329 IonicContact OE1-NE 3.93Å; E18-R329 PolarHBondContact OE1-NE 3.09Å; E18-R329 IonicContact OE1-NH2 3.01Å; E18-R329 PolarHBondContact OE1-NH2 3.2Å; E18-R329 VanDerWaalsContact OE1-NH2 3.12Å; E18-R329 IonicContact OE2-CZ 3.19Å; E18-R329 IonicContact OE2-NE 3.22Å; E18-R329 IonicContact OE2-NH2 2.82Å; E18-R329 PolarHBondContact OE2-NH2 3.42Å; I325-R329 HydrophobicContact CG2-CG 4.18Å; I325-R329 WeakPolarHBondContact O-CB 3.44Å; I325-R329 VanDerWaalsContact O-CG 3.27Å; I325-R329 WeakPolarHBondContact O-CG 3.25Å; I325-R329 PolarHBondContact O-N 3.42Å; L326-R329 PolarHBondContact O-N 3.14Å; R329-G331 PolarHBondContact O-N 3.27Å; R329-A332 PolarHBondContact O-N 3.37Å; R329-E333 WeakPolarHBondContact O-CB 3.48Å; R329-E333 PolarHBondContact O-N 2.73Å; R329-N357 PolarHBondContact NH1-O 2.89Å; R329-N357 PolarHBondContact NH1-OD1 2.83Å; R329-N357 PolarHBondContact NH2-O 3.26Å; R329-L767 HydrophobicContact CG-CD2 4.12Å; R329-L770 HydrophobicContact CG-CD2 4.01Å
330	M	96.5	Very high	96.1	Very high	4 Å²	4	7.2 Å²	7.2	2%	0.02	4%	0.036	C	C	.	.	H	α-helix	trans	-63.4	-42.4	-179	-73.8	-179.3	164	0	0	112.5	L175 I190 L326 E333 A334 I352 L354	L175-M330 HydrophobicContact CD1-CB 4.35Å; L175-M330 HydrophobicContact CD2-CB 3.86Å; I190-M330 HydrophobicContact CD1-CB 4.48Å; I190-M330 HydrophobicContact CD1-SD 3.79Å; I190-M330 HydrophobicContact CG1-SD 3.77Å; L326-M330 HydrophobicContact CD1-CE 3.56Å; L326-M330 HydrophobicContact CD1-CG 4.18Å; L326-M330 HydrophobicContact CD1-SD 3.88Å; L326-M330 HydrophobicContact CD2-CE 4.32Å; L326-M330 HydrophobicContact CD2-SD 4.33Å; L326-M330 HydrophobicContact CG-CE 4.04Å; L326-M330 HydrophobicContact CG-CG 4.43Å; L326-M330 HydrophobicContact CG-SD 3.8Å; L326-M330 WeakPolarHBondContact O-CB 3.31Å; L326-M330 WeakPolarHBondContact O-CG 3.42Å; L326-M330 PolarHBondContact O-N 3.38Å; M330-E333 PolarHBondContact O-N 3.25Å; M330-A334 WeakPolarHBondContact O-CB 3.45Å; M330-A334 PolarHBondContact O-N 3.28Å; M330-I352 HydrophobicContact CB-CB 4.47Å; M330-I352 HydrophobicContact CB-CG2 4.21Å; M330-I352 HydrophobicContact CG-CB 4.47Å; M330-I352 HydrophobicContact CG-CG2 3.99Å; M330-L354 HydrophobicContact CE-CB 4.15Å
331	G	97.1	Very high	95.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-64.8	-39.8	178.9	0	0	0	0	0	113.3	V51 G327 R329 V335	V51-G331 WeakPolarHBondContact CG2-O 3.31Å; G327-G331 PolarHBondContact O-N 3.24Å; R329-G331 PolarHBondContact O-N 3.27Å; G331-V335 PolarHBondContact O-N 2.79Å
332	A	95.9	Very high	95	Very high	4 Å²	4	9.9 Å²	9.9	3%	0.033	5%	0.051	C	C	.	.	H	α-helix	trans	-66.5	-47.7	175	0	0	0	0	0	111.7	M54 S328 R329 A334 V335 L336 L770	M54-A332 HydrophobicContact CB-CB 4.34Å; M54-A332 HydrophobicContact CE-CB 3.6Å; M54-A332 HydrophobicContact CG-CB 4.37Å; S328-A332 WeakPolarHBondContact O-CB 3.23Å; S328-A332 PolarHBondContact O-N 3.22Å; S328-A332 VanDerWaalsContact O-N 3.16Å; R329-A332 PolarHBondContact O-N 3.37Å; A332-A334 VanDerWaalsContact C-N 3.26Å; A332-A334 PolarHBondContact O-N 2.72Å; A332-V335 PolarHBondContact O-N 2.98Å; A332-L336 PolarHBondContact O-N 2.82Å; A332-L770 HydrophobicContact CB-CD1 3.4Å; A332-L770 VanDerWaalsContact CB-CD1 3.4Å
333	E	96	Very high	94.4	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.019	7%	0.067	C	C	.	.	H	α-helix	trans	-63.2	-33.1	178.3	-174.1	59.9	-150.6	0	0	112	G16 M17 R329 M330 V335 L336 A337 I352 R361	G16-E333 WeakPolarHBondContact CA-OE1 3.43Å; M17-E333 VanDerWaalsContact N-CD 3.31Å; M17-E333 PolarHBondContact N-OE1 2.87Å; M17-E333 PolarHBondContact N-OE2 3.27Å; R329-E333 WeakPolarHBondContact O-CB 3.48Å; R329-E333 PolarHBondContact O-N 2.73Å; M330-E333 PolarHBondContact O-N 3.25Å; E333-V335 VanDerWaalsContact C-N 3.3Å; E333-V335 PolarHBondContact O-N 3.29Å; E333-L336 PolarHBondContact O-N 3.19Å; E333-A337 WeakPolarHBondContact O-CB 3.47Å; E333-A337 PolarHBondContact O-N 3.39Å; E333-I352 HydrophobicContact CB-CG1 4.49Å; E333-I352 HydrophobicContact CB-CG2 3.97Å; E333-I352 HydrophobicContact CG-CD1 3.95Å; E333-I352 HydrophobicContact CG-CG1 4.38Å; E333-I352 HydrophobicContact CG-CG2 3.89Å; E333-R361 IonicContact OE1-CZ 2.81Å; E333-R361 IonicContact OE1-NE 3.48Å; E333-R361 PolarHBondContact OE1-NE 3.19Å; E333-R361 IonicContact OE1-NH2 3.31Å; E333-R361 PolarHBondContact OE1-NH2 3.35Å
334	A	96.8	Very high	93.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62	-37	176.9	0	0	0	0	0	112.8	V128 V173 L175 M330 A332 L338 I352	V128-A334 HydrophobicContact CG1-CB 4.21Å; V128-A334 HydrophobicContact CG2-CB 4.25Å; V173-A334 HydrophobicContact CB-CB 4.35Å; V173-A334 HydrophobicContact CG1-CB 3.69Å; L175-A334 HydrophobicContact CD1-CB 4.25Å; L175-A334 HydrophobicContact CD2-CB 3.99Å; L175-A334 HydrophobicContact CG-CB 4.31Å; M330-A334 WeakPolarHBondContact O-CB 3.45Å; M330-A334 PolarHBondContact O-N 3.28Å; A332-A334 VanDerWaalsContact C-N 3.26Å; A332-A334 PolarHBondContact O-N 2.72Å; A334-L338 WeakPolarHBondContact O-CG 3.26Å; A334-L338 PolarHBondContact O-N 2.84Å; A334-I352 HydrophobicContact CB-CG1 3.99Å
335	V	96	Very high	92.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.8	-48.4	174.4	171	0	0	0	0	110.2	I32 V51 M54 G331 A332 E333 A337 L338 M339	I32-V335 HydrophobicContact CD1-CB 4.47Å; I32-V335 HydrophobicContact CD1-CG1 3.79Å; I32-V335 HydrophobicContact CD1-CG2 4.24Å; V51-V335 HydrophobicContact CB-CG2 4.32Å; V51-V335 HydrophobicContact CG1-CG2 3.96Å; V51-V335 WeakPolarHBondContact O-CG2 3.48Å; M54-V335 HydrophobicContact CB-CB 4.13Å; M54-V335 HydrophobicContact CB-CG1 4.35Å; M54-V335 HydrophobicContact CB-CG2 4.06Å; M54-V335 HydrophobicContact CG-CB 3.76Å; M54-V335 HydrophobicContact CG-CG1 3.81Å; M54-V335 HydrophobicContact CG-CG2 4.26Å; G331-V335 PolarHBondContact O-N 2.79Å; A332-V335 PolarHBondContact O-N 2.98Å; E333-V335 VanDerWaalsContact C-N 3.3Å; E333-V335 PolarHBondContact O-N 3.29Å; V335-A337 VanDerWaalsContact C-N 3.3Å; V335-A337 PolarHBondContact O-N 2.67Å; V335-L338 PolarHBondContact O-N 3.26Å; V335-M339 HydrophobicContact CG1-CG 4.48Å; V335-M339 VanDerWaalsContact O-CG 3.3Å; V335-M339 WeakPolarHBondContact O-CG 3.29Å; V335-M339 PolarHBondContact O-N 2.88Å
336	L	94.1	Very high	92.2	Very high	16 Å²	16	27.9 Å²	27.9	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-41.1	179.3	-58.8	179.5	0	0	0	111.4	M17 V22 A332 E333 L338 M339 D340	M17-L336 HydrophobicContact CB-CD1 3.77Å; V22-L336 HydrophobicContact CG1-CD2 3.94Å; V22-L336 HydrophobicContact CG2-CD1 3.98Å; V22-L336 HydrophobicContact CG2-CD2 3.98Å; A332-L336 PolarHBondContact O-N 2.82Å; E333-L336 PolarHBondContact O-N 3.19Å; L336-L338 PolarHBondContact O-N 3.4Å; L336-M339 PolarHBondContact O-N 3.37Å; L336-D340 VanDerWaalsContact O-CG 3.3Å; L336-D340 PolarHBondContact O-N 3.25Å
337	A	94.2	Very high	91.6	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-38.2	176.3	0	0	0	0	0	113.1	V173 E333 V335 A341 I352	V173-A337 HydrophobicContact CG2-CB 3.87Å; E333-A337 WeakPolarHBondContact O-CB 3.47Å; E333-A337 PolarHBondContact O-N 3.39Å; V335-A337 VanDerWaalsContact C-N 3.3Å; V335-A337 PolarHBondContact O-N 2.67Å; A337-A341 VanDerWaalsContact O-CB 3.28Å; A337-A341 WeakPolarHBondContact O-CB 3.47Å; A337-A341 PolarHBondContact O-N 3.46Å; A337-I352 HydrophobicContact CB-CD1 3.94Å
338	L	94.3	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-43.6	173.4	-77.4	168.8	0	0	0	111.5	I32 N126 V128 N171 V173 A334 V335 L336 A341 D342	I32-L338 HydrophobicContact CG2-CD1 3.98Å; N126-L338 HydrophobicContact CB-CB 4.31Å; N126-L338 HydrophobicContact CB-CD1 4.05Å; N126-L338 HydrophobicContact CB-CD2 4.08Å; N126-L338 HydrophobicContact CB-CG 4.38Å; V128-L338 HydrophobicContact CG2-CD1 3.37Å; N171-L338 HydrophobicContact CB-CD2 3.73Å; N171-L338 WeakPolarHBondContact O-CD2 3.46Å; V173-L338 HydrophobicContact CB-CD2 4.24Å; V173-L338 HydrophobicContact CB-CG 4.12Å; V173-L338 HydrophobicContact CG2-CD2 3.72Å; V173-L338 HydrophobicContact CG2-CG 3.65Å; A334-L338 WeakPolarHBondContact O-CG 3.26Å; A334-L338 PolarHBondContact O-N 2.84Å; V335-L338 PolarHBondContact O-N 3.26Å; L336-L338 PolarHBondContact O-N 3.4Å; L338-A341 PolarHBondContact O-N 3.2Å; L338-D342 WeakPolarHBondContact O-CB 3.48Å; L338-D342 PolarHBondContact O-N 2.93Å
339	M	91.9	Very high	90.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.8	-35.8	-179.1	-65.2	-56.6	92.1	0	0	112.9	F27 E30 I32 C60 N126 V335 L336 D342 R343	F27-M339 HydrophobicContact CB-CG 4.31Å; F27-M339 HydrophobicContact CB-SD 3.59Å; F27-M339 VanDerWaalsContact CB-SD 3.59Å; F27-M339 HydrophobicContact CD1-CB 3.79Å; F27-M339 HydrophobicContact CD1-CG 3.84Å; F27-M339 HydrophobicContact CD1-SD 3.69Å; F27-M339 HydrophobicContact CD2-CB 4.26Å; F27-M339 HydrophobicContact CD2-CG 3.85Å; F27-M339 HydrophobicContact CD2-SD 4.27Å; F27-M339 HydrophobicContact CE1-CB 3.47Å; F27-M339 VanDerWaalsContact CE1-CB 3.47Å; F27-M339 HydrophobicContact CE1-CG 4.01Å; F27-M339 HydrophobicContact CE1-SD 4.39Å; F27-M339 HydrophobicContact CE2-CB 3.99Å; F27-M339 HydrophobicContact CE2-CG 4.03Å; F27-M339 HydrophobicContact CG-CB 4.16Å; F27-M339 HydrophobicContact CG-CG 3.74Å; F27-M339 HydrophobicContact CG-SD 3.6Å; F27-M339 VanDerWaalsContact CG-SD 3.6Å; F27-M339 HydrophobicContact CZ-CB 3.58Å; F27-M339 HydrophobicContact CZ-CG 4.11Å; E30-M339 HydrophobicContact CB-CE 4.3Å; E30-M339 HydrophobicContact CB-SD 4.11Å; E30-M339 HydrophobicContact CG-SD 4.15Å; I32-M339 HydrophobicContact CD1-CE 3.9Å; I32-M339 HydrophobicContact CG1-CE 3.99Å; C60-M339 VanDerWaalsContact SG-SD 3.69Å; N126-M339 HydrophobicContact CB-CE 4.38Å; V335-M339 HydrophobicContact CG1-CG 4.48Å; V335-M339 VanDerWaalsContact O-CG 3.3Å; V335-M339 WeakPolarHBondContact O-CG 3.29Å; V335-M339 PolarHBondContact O-N 2.88Å; L336-M339 PolarHBondContact O-N 3.37Å; M339-D342 PolarHBondContact O-N 2.7Å; M339-R343 PolarHBondContact O-N 3.45Å
340	D	90.6	Very high	90.5	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-42.4	171.5	-68.6	-25.8	0	0	0	111.1	L336 D342 R343 D344 R361	L336-D340 VanDerWaalsContact O-CG 3.3Å; L336-D340 PolarHBondContact O-N 3.25Å; D340-D342 VanDerWaalsContact C-N 3.28Å; D340-D342 PolarHBondContact O-N 2.83Å; D340-R343 PolarHBondContact O-N 2.76Å; D340-D344 PolarHBondContact O-N 3.12Å; D340-R361 IonicContact OD2-CZ 2.78Å; D340-R361 VanDerWaalsContact OD2-CZ 3.27Å; D340-R361 IonicContact OD2-NH1 3.32Å; D340-R361 PolarHBondContact OD2-NH1 2.97Å; D340-R361 IonicContact OD2-NH2 2.64Å; D340-R361 PolarHBondContact OD2-NH2 2.67Å
341	A	88.8	Confident	90.4	Very high	8 Å²	8	32.9 Å²	32.9	7%	0.066	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-35.8	176.2	0	0	0	0	0	111.8	R169 N171 A337 L338 R343 D344 L347	R169-A341 PolarHBondContact NH1-O 2.7Å; R169-A341 PolarHBondContact NH2-O 3.13Å; N171-A341 HydrophobicContact CB-CB 4.43Å; A337-A341 VanDerWaalsContact O-CB 3.28Å; A337-A341 WeakPolarHBondContact O-CB 3.47Å; A337-A341 PolarHBondContact O-N 3.46Å; L338-A341 PolarHBondContact O-N 3.2Å; A341-R343 VanDerWaalsContact C-N 3.35Å; A341-D344 CarbonylContact O-C 3.53Å; A341-D344 PolarHBondContact O-N 3.21Å; A341-L347 HydrophobicContact CB-CB 4.46Å
342	D	83.8	Confident	90.4	Very high	55 Å²	55	32.9 Å²	32.9	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-64.2	-40.5	176.9	-163.7	62.4	0	0	0	112	N171 L338 M339 D340	N171-D342 WeakPolarHBondContact ND2-CA 3.48Å; N171-D342 PolarHBondContact ND2-OD1 2.78Å; L338-D342 WeakPolarHBondContact O-CB 3.48Å; L338-D342 PolarHBondContact O-N 2.93Å; M339-D342 PolarHBondContact O-N 2.7Å; D340-D342 VanDerWaalsContact C-N 3.28Å; D340-D342 PolarHBondContact O-N 2.83Å
343	R	85.3	Confident	90.2	Very high	140 Å²	140	32.7 Å²	32.7	53%	0.528	18%	0.175	S	C	.	.	H	α-helix	trans	-72.3	-33.3	176.2	-70.7	179.6	175.2	165.7	3.3	114.3	Q26 M339 D340 A341 P345	Q26-R343 VanDerWaalsContact NE2-NH2 3.19Å; M339-R343 PolarHBondContact O-N 3.45Å; D340-R343 PolarHBondContact O-N 2.76Å; A341-R343 VanDerWaalsContact C-N 3.35Å; R343-P345 WeakPolarHBondContact O-CD 3.48Å
344	D	86.5	Confident	89.9	Confident	65 Å²	65	32.9 Å²	32.9	35%	0.348	18%	0.176	S	C	.	.			trans	-114.3	104.4	179.2	-174	-5.1	0	0	0	111.9	R169 D340 A341 N346 L347	R169-D344 PolarHBondContact NH2-O 3.45Å; D340-D344 PolarHBondContact O-N 3.12Å; A341-D344 CarbonylContact O-C 3.53Å; A341-D344 PolarHBondContact O-N 3.21Å; D344-N346 PolarHBondContact O-N 2.7Å; D344-N346 VanDerWaalsContact O-N 3.1Å; D344-N346 WeakPolarHBondContact OD1-CB 3.17Å; D344-N346 PolarHBondContact OD1-N 2.75Å; D344-L347 HydrophobicContact CB-CB 4.4Å; D344-L347 HydrophobicContact CB-CD1 3.62Å; D344-L347 PolarHBondContact O-N 3.38Å; D344-L347 VanDerWaalsContact O-N 3.17Å
345	P	77.1	Confident	89.4	Confident	90 Å²	90	34.5 Å²	34.5	58%	0.584	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-33.2	173.8	-30.8	38.2	0	0	0	115.6	R169 R343 L347	R169-P345 VanDerWaalsContact CZ-CA 3.41Å; R169-P345 VanDerWaalsContact NH2-C 3.28Å; R169-P345 PolarHBondContact NH2-O 3.33Å; R343-P345 WeakPolarHBondContact O-CD 3.48Å; P345-L347 VanDerWaalsContact C-N 3.33Å
346	N	83.6	Confident	88.9	Confident	143 Å²	143	35.3 Å²	35.3	77%	0.765	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.4	-172.2	-58.3	-50.2	0	0	0	113	D344 P348	D344-N346 PolarHBondContact O-N 2.7Å; D344-N346 VanDerWaalsContact O-N 3.1Å; D344-N346 WeakPolarHBondContact OD1-CB 3.17Å; D344-N346 PolarHBondContact OD1-N 2.75Å; N346-P348 WeakPolarHBondContact O-CD 3.25Å
347	L	84.3	Confident	88.4	Confident	35 Å²	35	35.2 Å²	35.2	18%	0.183	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-68.4	122.4	-179.5	-110.7	134.3	0	0	0	110.6	L14 R143 A341 D344 P345	L14-L347 HydrophobicContact CD1-CD2 4.12Å; R143-L347 PolarHBondContact NH2-O 2.74Å; A341-L347 HydrophobicContact CB-CB 4.46Å; D344-L347 HydrophobicContact CB-CB 4.4Å; D344-L347 HydrophobicContact CB-CD1 3.62Å; D344-L347 PolarHBondContact O-N 3.38Å; D344-L347 VanDerWaalsContact O-N 3.17Å; P345-L347 VanDerWaalsContact C-N 3.33Å
348	P	83.9	Confident	88	Confident	68 Å²	68	38.3 Å²	38.3	44%	0.442	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-71	156	177.1	30.2	-34.3	0	0	0	110.3	N346 C350	N346-P348 WeakPolarHBondContact O-CD 3.25Å; P348-C350 PolarHBondContact O-N 3.01Å
349	S	89.6	Confident	87.8	Confident	7 Å²	7	38.4 Å²	38.4	5%	0.049	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-56.9	136.4	166.7	-87.6	0	0	0	0	109.6	R143 I172 L364	R143-S349 WeakPolarHBondContact CD-OG 3.49Å; R143-S349 VanDerWaalsContact CZ-OG 3.26Å; R143-S349 PolarHBondContact NE-OG 2.97Å; R143-S349 PolarHBondContact NH1-OG 3.17Å; I172-S349 WeakPolarHBondContact O-CB 3.24Å; I172-S349 PolarHBondContact O-OG 3.1Å; S349-L364 WeakPolarHBondContact O-CB 3.38Å; S349-L364 PolarHBondContact O-N 2.95Å
350	C	93.9	Very high	87.8	Confident	11 Å²	11	38.7 Å²	38.7	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	162.2	-179.7	64.4	0	0	0	0	111.3	V173 G174 P348 R361 V362	V173-C350 WeakPolarHBondContact CA-O 3.35Å; G174-C350 PolarHBondContact N-O 2.67Å; P348-C350 PolarHBondContact O-N 3.01Å; C350-R361 HydrophobicContact CB-CB 4.08Å; C350-V362 CarbonylContact C-O 3.6Å; C350-V362 WeakPolarHBondContact CA-O 3.5Å; C350-V362 WeakPolarHBondContact CB-O 3.03Å
351	V	95.2	Very high	88	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.3	162.7	176.8	0	0	0	0	106.4	L136 G174 V176 F183 V362 L364	L136-V351 HydrophobicContact CD1-CG2 4.2Å; G174-V351 CarbonylContact O-C 3.53Å; G174-V351 VanDerWaalsContact O-CA 3.24Å; G174-V351 WeakPolarHBondContact O-CA 3.43Å; V176-V351 HydrophobicContact CG2-CG1 3.67Å; F183-V351 HydrophobicContact CE1-CB 4.44Å; F183-V351 HydrophobicContact CE1-CG1 4.04Å; F183-V351 HydrophobicContact CE1-CG2 4.04Å; F183-V351 HydrophobicContact CZ-CG2 4.13Å; V351-V362 PolarHBondContact N-O 2.91Å; V351-V362 PolarHBondContact O-N 2.84Å; V351-L364 HydrophobicContact CG2-CB 4.07Å; V351-L364 HydrophobicContact CG2-CD1 3.31Å; V351-L364 HydrophobicContact CG2-CG 4.27Å
352	I	96	Very high	88.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.3	168.3	-45.6	-53.3	0	0	0	107.6	V173 G174 L175 M330 E333 A334 A337 R361	V173-I352 HydrophobicContact CG1-CD1 3.81Å; V173-I352 HydrophobicContact CG1-CG1 3.66Å; G174-I352 PolarHBondContact O-N 2.96Å; L175-I352 HydrophobicContact CD2-CB 3.5Å; L175-I352 HydrophobicContact CD2-CG1 3.6Å; M330-I352 HydrophobicContact CB-CB 4.47Å; M330-I352 HydrophobicContact CB-CG2 4.21Å; M330-I352 HydrophobicContact CG-CB 4.47Å; M330-I352 HydrophobicContact CG-CG2 3.99Å; E333-I352 HydrophobicContact CB-CG1 4.49Å; E333-I352 HydrophobicContact CB-CG2 3.97Å; E333-I352 HydrophobicContact CG-CD1 3.95Å; E333-I352 HydrophobicContact CG-CG1 4.38Å; E333-I352 HydrophobicContact CG-CG2 3.89Å; A334-I352 HydrophobicContact CB-CG1 3.99Å; A337-I352 HydrophobicContact CB-CD1 3.94Å; I352-R361 HydrophobicContact CD1-CB 4.48Å; I352-R361 HydrophobicContact CD1-CG 3.88Å
353	S	92.7	Very high	88.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	169.6	-175.4	-68.3	0	0	0	0	110.7	G185 A359 V360	G185-S353 WeakPolarHBondContact O-CB 3.28Å; G185-S353 PolarHBondContact O-OG 2.9Å; S353-A359 WeakPolarHBondContact O-CA 3.21Å; S353-V360 PolarHBondContact N-O 3.14Å; S353-V360 PolarHBondContact O-N 2.52Å
354	L	89.6	Confident	88.8	Confident	8 Å²	8	28.7 Å²	28.7	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	169.9	-167.2	73.6	0	0	0	109.5	T186 D187 M188 F322 L326 M330 G356	T186-L354 PolarHBondContact OG1-N 3.29Å; T186-L354 VanDerWaalsContact OG1-N 3.13Å; D187-L354 PolarHBondContact N-O 2.59Å; M188-L354 HydrophobicContact CB-CD2 4.33Å; F322-L354 HydrophobicContact CE2-CD2 4.48Å; F322-L354 HydrophobicContact CZ-CD2 3.93Å; L326-L354 HydrophobicContact CD1-CB 4.3Å; L326-L354 HydrophobicContact CD1-CD1 4.17Å; L326-L354 HydrophobicContact CD1-CD2 4.11Å; L326-L354 HydrophobicContact CD1-CG 4.44Å; M330-L354 HydrophobicContact CE-CB 4.15Å; L354-G356 WeakPolarHBondContact CD2-O 3.3Å; L354-G356 WeakPolarHBondContact CG-O 3.29Å
355	D	86.8	Confident	88.9	Confident	34 Å²	34	28.7 Å²	28.7	18%	0.182	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	105.8	167	-174.1	21	0	0	0	108.9	W13 N357 Q358 V360 R738	W13-D355 HydrophobicContact CE3-CB 3.9Å; W13-D355 HydrophobicContact CZ3-CB 3.58Å; D355-N357 PolarHBondContact O-N 3.22Å; D355-Q358 PolarHBondContact N-O 3.21Å; D355-Q358 PolarHBondContact O-N 2.91Å; D355-V360 HydrophobicContact CB-CG1 4.06Å; D355-V360 HydrophobicContact CB-CG2 3.97Å; D355-R738 VanDerWaalsContact OD1-CD 3.26Å; D355-R738 WeakPolarHBondContact OD1-CD 3.17Å; D355-R738 IonicContact OD1-CZ 2.74Å; D355-R738 IonicContact OD1-NE 3.27Å; D355-R738 IonicContact OD1-NH1 2.67Å; D355-R738 PolarHBondContact OD1-NH1 3.45Å; D355-R738 IonicContact OD2-NH1 2.99Å; D355-R738 PolarHBondContact OD2-NH1 2.96Å
356	G	85	Confident	89.5	Confident	17 Å²	17	29 Å²	29	18%	0.175	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-104	-167.4	0	0	0	0	0	111.5	D187 L354 R737	D187-G356 PolarHBondContact OD2-N 3.37Å; L354-G356 WeakPolarHBondContact CD2-O 3.3Å; L354-G356 WeakPolarHBondContact CG-O 3.29Å; G356-R737 WeakPolarHBondContact CA-O 3.44Å
357	N	84.1	Confident	89.7	Confident	13 Å²	13	22.4 Å²	22.4	7%	0.07	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	12.9	179	-167.7	26.3	0	0	0	113	R329 D355 F559 W763	R329-N357 PolarHBondContact NH1-O 2.89Å; R329-N357 PolarHBondContact NH1-OD1 2.83Å; R329-N357 PolarHBondContact NH2-O 3.26Å; D355-N357 PolarHBondContact O-N 3.22Å; N357-F559 HydrophobicContact CB-CE2 4.12Å; N357-F559 HydrophobicContact CB-CZ 4.3Å; N357-F559 WeakPolarHBondContact ND2-CZ 3.4Å; N357-W763 WeakPolarHBondContact ND2-CH2 3.47Å; N357-W763 WeakPolarHBondContact ND2-CZ2 3.36Å; N357-W763 WeakPolarHBondContact ND2-CZ3 3.26Å
358	Q	85.5	Confident	89.9	Confident	68 Å²	68	20.9 Å²	20.9	32%	0.318	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135	-178.8	-171.7	172.6	13	0	0	111	D355 V360	D355-Q358 PolarHBondContact N-O 3.21Å; D355-Q358 PolarHBondContact O-N 2.91Å; Q358-V360 HydrophobicContact CG-CG1 4.49Å
359	A	89.3	Confident	90.2	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.3	169.5	0	0	0	0	0	110.1	G16 E18 S353	G16-A359 WeakPolarHBondContact CA-O 3.32Å; G16-A359 PolarHBondContact N-O 2.93Å; E18-A359 VanDerWaalsContact CD-CB 3.46Å; E18-A359 HydrophobicContact CG-CB 4.09Å; E18-A359 WeakPolarHBondContact OE1-CB 3.38Å; E18-A359 PolarHBondContact OE2-N 3.48Å; S353-A359 WeakPolarHBondContact O-CA 3.21Å
360	V	92.1	Very high	90.3	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.036	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.8	-179.5	-64	0	0	0	0	110.6	W13 S353 D355 Q358 V362	W13-V360 HydrophobicContact CE3-CG2 4.1Å; S353-V360 PolarHBondContact N-O 3.14Å; S353-V360 PolarHBondContact O-N 2.52Å; D355-V360 HydrophobicContact CB-CG1 4.06Å; D355-V360 HydrophobicContact CB-CG2 3.97Å; Q358-V360 HydrophobicContact CG-CG1 4.49Å; V360-V362 HydrophobicContact CG2-CG2 3.97Å
361	R	94	Very high	90.1	Very high	14 Å²	14	24.7 Å²	24.7	5%	0.053	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.1	173.4	-49.3	177.7	-177	178.2	-0.9	108.6	L14 M17 E333 D340 C350 I352	L14-R361 HydrophobicContact CB-CB 4.22Å; L14-R361 PolarHBondContact N-O 2.85Å; L14-R361 VanDerWaalsContact N-O 3.07Å; L14-R361 PolarHBondContact O-N 2.82Å; M17-R361 VanDerWaalsContact CG-NH2 3.34Å; E333-R361 IonicContact OE1-CZ 2.81Å; E333-R361 IonicContact OE1-NE 3.48Å; E333-R361 PolarHBondContact OE1-NE 3.19Å; E333-R361 IonicContact OE1-NH2 3.31Å; E333-R361 PolarHBondContact OE1-NH2 3.35Å; D340-R361 IonicContact OD2-CZ 2.78Å; D340-R361 VanDerWaalsContact OD2-CZ 3.27Å; D340-R361 IonicContact OD2-NH1 3.32Å; D340-R361 PolarHBondContact OD2-NH1 2.97Å; D340-R361 IonicContact OD2-NH2 2.64Å; D340-R361 PolarHBondContact OD2-NH2 2.67Å; C350-R361 HydrophobicContact CB-CB 4.08Å; I352-R361 HydrophobicContact CD1-CB 4.48Å; I352-R361 HydrophobicContact CD1-CG 3.88Å
362	V	92.5	Very high	89.8	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.03	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.4	-179.1	-170	0	0	0	0	109.4	W13 C350 V351 V360 L364 C367	W13-V362 HydrophobicContact CD2-CG2 4.13Å; W13-V362 HydrophobicContact CG-CG2 4.25Å; C350-V362 CarbonylContact C-O 3.6Å; C350-V362 WeakPolarHBondContact CA-O 3.5Å; C350-V362 WeakPolarHBondContact CB-O 3.03Å; V351-V362 PolarHBondContact N-O 2.91Å; V351-V362 PolarHBondContact O-N 2.84Å; V360-V362 HydrophobicContact CG2-CG2 3.97Å; V362-L364 PolarHBondContact O-N 2.82Å; V362-C367 WeakPolarHBondContact CG1-SG 3.24Å
363	P	92.2	Very high	89.7	Confident	16 Å²	16	34.8 Å²	34.8	10%	0.104	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	124.2	179.4	-27.5	35.9	0	0	0	112.5	V365 K366 C367	P363-V365 VanDerWaalsContact C-N 3.31Å; P363-V365 PolarHBondContact O-N 3.24Å; P363-K366 HydrophobicContact CB-CB 4.32Å; P363-K366 HydrophobicContact CB-CD 4.09Å; P363-K366 HydrophobicContact CB-CG 4.13Å; P363-K366 HydrophobicContact CG-CD 4.12Å; P363-K366 PolarHBondContact O-N 3.26Å; P363-K366 VanDerWaalsContact O-N 3.15Å; P363-C367 PolarHBondContact O-N 2.83Å
364	L	90.1	Very high	89.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.4	-44.5	-174.7	172.1	63.2	0	0	0	112.1	L136 N140 S349 V351 V362 K366 C367 V368	L136-L364 HydrophobicContact CB-CD1 3.93Å; N140-L364 HydrophobicContact CB-CD2 3.72Å; N140-L364 HydrophobicContact CB-CG 4.13Å; S349-L364 WeakPolarHBondContact O-CB 3.38Å; S349-L364 PolarHBondContact O-N 2.95Å; V351-L364 HydrophobicContact CG2-CB 4.07Å; V351-L364 HydrophobicContact CG2-CD1 3.31Å; V351-L364 HydrophobicContact CG2-CG 4.27Å; V362-L364 PolarHBondContact O-N 2.82Å; L364-K366 PolarHBondContact O-N 3.18Å; L364-C367 PolarHBondContact O-N 3.2Å; L364-V368 HydrophobicContact CD1-CG2 4.05Å; L364-V368 WeakPolarHBondContact O-CG2 3.4Å; L364-V368 PolarHBondContact O-N 3.43Å
365	V	88.9	Confident	89.9	Confident	66 Å²	66	36.8 Å²	36.8	40%	0.4	19%	0.186	S	C	.	.	H	α-helix	trans	-58.9	-47.4	180	-178.7	0	0	0	0	111	N140 P363 C367 V368 D369	N140-V365 WeakPolarHBondContact OD1-CG2 2.94Å; P363-V365 VanDerWaalsContact C-N 3.31Å; P363-V365 PolarHBondContact O-N 3.24Å; V365-C367 VanDerWaalsContact C-N 3.33Å; V365-C367 PolarHBondContact O-N 3.36Å; V365-V368 PolarHBondContact O-N 3.41Å; V365-D369 WeakPolarHBondContact CG1-OD2 3.46Å; V365-D369 WeakPolarHBondContact O-CB 3.35Å; V365-D369 VanDerWaalsContact O-CG 3.28Å; V365-D369 PolarHBondContact O-N 2.96Å
366	K	89.5	Confident	90.3	Very high	96 Å²	96	41 Å²	41	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-61.8	-41.1	-179.6	-68.1	-177.7	-179.4	169.9	0	111.6	E12 P363 L364 R370	E12-K366 IonicContact OE2-NZ 3.92Å; E12-K366 PolarHBondContact OE2-NZ 3.5Å; E12-K366 VanDerWaalsContact OE2-NZ 3.08Å; P363-K366 HydrophobicContact CB-CB 4.32Å; P363-K366 HydrophobicContact CB-CD 4.09Å; P363-K366 HydrophobicContact CB-CG 4.13Å; P363-K366 HydrophobicContact CG-CD 4.12Å; P363-K366 PolarHBondContact O-N 3.26Å; P363-K366 VanDerWaalsContact O-N 3.15Å; L364-K366 PolarHBondContact O-N 3.18Å; K366-R370 VanDerWaalsContact O-CB 3.3Å; K366-R370 WeakPolarHBondContact O-CB 3.33Å; K366-R370 PolarHBondContact O-N 2.71Å
367	C	89.3	Confident	90.8	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-44.5	176.9	-72.3	0	0	0	0	112.7	F183 C184 V362 P363 L364 V365 T371	F183-C367 HydrophobicContact CD1-CB 4.35Å; F183-C367 HydrophobicContact CE1-CB 3.37Å; F183-C367 HydrophobicContact CZ-CB 3.53Å; C184-C367 VanDerWaalsContact O-CB 3.29Å; C184-C367 WeakPolarHBondContact O-CB 3.46Å; C184-C367 PolarHBondContact O-SG 3.34Å; V362-C367 WeakPolarHBondContact CG1-SG 3.24Å; P363-C367 PolarHBondContact O-N 2.83Å; L364-C367 PolarHBondContact O-N 3.2Å; V365-C367 VanDerWaalsContact C-N 3.33Å; V365-C367 PolarHBondContact O-N 3.36Å; C367-T371 WeakPolarHBondContact O-CB 3.41Å; C367-T371 PolarHBondContact O-N 3.13Å; C367-T371 PolarHBondContact O-OG1 3.4Å
368	V	87.5	Confident	91.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-45.8	178.3	170.8	0	0	0	0	110.6	T137 F183 L364 V365 T371 R372	T137-V368 HydrophobicContact CG2-CG1 4.15Å; T137-V368 WeakPolarHBondContact OG1-CG1 3.47Å; F183-V368 HydrophobicContact CE2-CG2 4.34Å; F183-V368 HydrophobicContact CZ-CG2 4.34Å; L364-V368 HydrophobicContact CD1-CG2 4.05Å; L364-V368 WeakPolarHBondContact O-CG2 3.4Å; L364-V368 PolarHBondContact O-N 3.43Å; V365-V368 PolarHBondContact O-N 3.41Å; V368-T371 PolarHBondContact O-N 2.97Å; V368-R372 WeakPolarHBondContact O-CG 3.48Å; V368-R372 PolarHBondContact O-N 3.23Å
369	D	90.2	Very high	91.6	Very high	67 Å²	67	46.1 Å²	46.1	36%	0.358	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-44.7	179.5	-70	-20.9	0	0	0	111.5	V365 T371 R372 Q373	V365-D369 WeakPolarHBondContact CG1-OD2 3.46Å; V365-D369 WeakPolarHBondContact O-CB 3.35Å; V365-D369 VanDerWaalsContact O-CG 3.28Å; V365-D369 PolarHBondContact O-N 2.96Å; D369-T371 VanDerWaalsContact C-N 3.3Å; D369-T371 PolarHBondContact O-N 2.91Å; D369-R372 WeakPolarHBondContact O-CB 3.49Å; D369-R372 PolarHBondContact O-N 3.45Å; D369-R372 IonicContact OD1-NH1 3.12Å; D369-Q373 WeakPolarHBondContact O-CG 3.43Å; D369-Q373 PolarHBondContact O-N 3.08Å
370	R	91.2	Very high	91.9	Very high	81 Å²	81	49.8 Å²	49.8	31%	0.306	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-38.4	175.7	-170	173.9	172.9	159	6.1	112.1	C184 K366 Q373 V374 E388 L389	C184-R370 HydrophobicContact CB-CB 3.86Å; C184-R370 HydrophobicContact CB-CG 3.65Å; K366-R370 VanDerWaalsContact O-CB 3.3Å; K366-R370 WeakPolarHBondContact O-CB 3.33Å; K366-R370 PolarHBondContact O-N 2.71Å; R370-Q373 PolarHBondContact O-N 3.34Å; R370-V374 PolarHBondContact O-N 3.05Å; R370-E388 PolarHBondContact NH2-O 3.19Å; R370-L389 HydrophobicContact CG-CD2 3.94Å; R370-L389 VanDerWaalsContact CZ-O 3.29Å; R370-L389 PolarHBondContact NE-O 3.38Å; R370-L389 PolarHBondContact NH2-O 2.95Å
371	T	89.6	Confident	92	Very high	18 Å²	18	51.8 Å²	51.8	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-37.5	176.8	-54.9	0	0	0	0	111.7	D133 C184 C367 V368 D369 V374 A375	D133-T371 HydrophobicContact CB-CG2 4.34Å; C184-T371 WeakPolarHBondContact CB-OG1 3.35Å; C184-T371 PolarHBondContact N-OG1 2.97Å; C367-T371 WeakPolarHBondContact O-CB 3.41Å; C367-T371 PolarHBondContact O-N 3.13Å; C367-T371 PolarHBondContact O-OG1 3.4Å; V368-T371 PolarHBondContact O-N 2.97Å; D369-T371 VanDerWaalsContact C-N 3.3Å; D369-T371 PolarHBondContact O-N 2.91Å; T371-V374 WeakPolarHBondContact O-CB 3.44Å; T371-V374 PolarHBondContact O-N 2.64Å; T371-A375 PolarHBondContact O-N 3.26Å
372	R	89.7	Confident	92.1	Very high	128 Å²	128	54.8 Å²	54.8	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-42	173.3	-72	172.2	177.1	177.2	-4.8	112.1	V368 D369 V374 A375 E376	V368-R372 WeakPolarHBondContact O-CG 3.48Å; V368-R372 PolarHBondContact O-N 3.23Å; D369-R372 WeakPolarHBondContact O-CB 3.49Å; D369-R372 PolarHBondContact O-N 3.45Å; D369-R372 IonicContact OD1-NH1 3.12Å; R372-V374 PolarHBondContact O-N 3.31Å; R372-A375 WeakPolarHBondContact O-CB 3.36Å; R372-A375 PolarHBondContact O-N 3.04Å; R372-E376 PolarHBondContact O-N 3.17Å
373	Q	94	Very high	92.3	Very high	83 Å²	83	55.8 Å²	55.8	39%	0.388	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-34.2	176.7	-70.7	167.9	23.1	0	0	112.1	D369 R370 A375 E376 A377 L389	D369-Q373 WeakPolarHBondContact O-CG 3.43Å; D369-Q373 PolarHBondContact O-N 3.08Å; R370-Q373 PolarHBondContact O-N 3.34Å; Q373-A375 PolarHBondContact O-N 3.45Å; Q373-E376 PolarHBondContact O-N 3.01Å; Q373-A377 WeakPolarHBondContact O-CB 3.33Å; Q373-A377 PolarHBondContact O-N 3.34Å; Q373-L389 HydrophobicContact CB-CD1 3.71Å; Q373-L389 HydrophobicContact CB-CD2 4.28Å
374	V	93.5	Very high	92.4	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-47.6	172.9	176.2	0	0	0	0	110.5	C184 R370 T371 R372 E376 A377 M378 A386 L389	C184-V374 VanDerWaalsContact SG-CG2 3.6Å; R370-V374 PolarHBondContact O-N 3.05Å; T371-V374 WeakPolarHBondContact O-CB 3.44Å; T371-V374 PolarHBondContact O-N 2.64Å; R372-V374 PolarHBondContact O-N 3.31Å; V374-E376 VanDerWaalsContact C-N 3.27Å; V374-E376 PolarHBondContact O-N 3.45Å; V374-A377 PolarHBondContact O-N 3Å; V374-M378 HydrophobicContact CG1-CG 4.21Å; V374-M378 WeakPolarHBondContact O-CB 3.49Å; V374-M378 WeakPolarHBondContact O-CG 3.5Å; V374-M378 PolarHBondContact O-N 3.2Å; V374-A386 HydrophobicContact CG1-CB 4.49Å; V374-L389 HydrophobicContact CG2-CB 3.48Å; V374-L389 VanDerWaalsContact CG2-CB 3.48Å; V374-L389 HydrophobicContact CG2-CD1 4.17Å; V374-L389 HydrophobicContact CG2-CG 4.47Å
375	A	92.1	Very high	92.7	Very high	48 Å²	48	65 Å²	65	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-64	-34	179.6	0	0	0	0	0	112.3	T371 R372 Q373 K379	T371-A375 PolarHBondContact O-N 3.26Å; R372-A375 WeakPolarHBondContact O-CB 3.36Å; R372-A375 PolarHBondContact O-N 3.04Å; Q373-A375 PolarHBondContact O-N 3.45Å; A375-K379 VanDerWaalsContact O-CG 3.27Å; A375-K379 WeakPolarHBondContact O-CG 3.48Å; A375-K379 PolarHBondContact O-N 3.4Å; A375-K379 VanDerWaalsContact O-N 3.13Å
376	E	95.5	Very high	93	Very high	122 Å²	122	61.9 Å²	61.9	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-68.7	-48.1	174.8	-69	169.9	177.2	0	0	111.7	R372 Q373 V374 M378 K379 A380	R372-E376 PolarHBondContact O-N 3.17Å; Q373-E376 PolarHBondContact O-N 3.01Å; V374-E376 VanDerWaalsContact C-N 3.27Å; V374-E376 PolarHBondContact O-N 3.45Å; E376-M378 VanDerWaalsContact C-N 3.33Å; E376-M378 PolarHBondContact O-N 3.21Å; E376-K379 PolarHBondContact O-N 2.96Å; E376-K379 VanDerWaalsContact O-N 3.15Å; E376-A380 PolarHBondContact O-N 3.02Å
377	A	95.8	Very high	93.2	Very high	6 Å²	6	58.1 Å²	58.1	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-45	176.4	0	0	0	0	0	111.4	Q373 V374 K379 A380 C381 D382 A386 L389	Q373-A377 WeakPolarHBondContact O-CB 3.33Å; Q373-A377 PolarHBondContact O-N 3.34Å; V374-A377 PolarHBondContact O-N 3Å; A377-K379 VanDerWaalsContact C-N 3.34Å; A377-K379 PolarHBondContact O-N 2.93Å; A377-A380 CarbonylContact O-C 3.5Å; A377-A380 PolarHBondContact O-N 3.16Å; A377-C381 PolarHBondContact O-N 3.45Å; A377-C381 VanDerWaalsContact O-N 3.16Å; A377-D382 PolarHBondContact O-N 3.11Å; A377-A386 HydrophobicContact CB-CB 4.05Å; A377-L389 HydrophobicContact CB-CD1 4.34Å
378	M	94.2	Very high	93.5	Very high	26 Å²	26	62.5 Å²	62.5	13%	0.128	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-39.3	175.5	-72.8	-61.9	-54.6	0	0	112.8	P245 I281 V374 E376 C381 F383 A386	P245-M378 HydrophobicContact CB-CE 3.69Å; P245-M378 WeakPolarHBondContact O-CE 3.35Å; I281-M378 HydrophobicContact CD1-CE 3.76Å; V374-M378 HydrophobicContact CG1-CG 4.21Å; V374-M378 WeakPolarHBondContact O-CB 3.49Å; V374-M378 WeakPolarHBondContact O-CG 3.5Å; V374-M378 PolarHBondContact O-N 3.2Å; E376-M378 VanDerWaalsContact C-N 3.33Å; E376-M378 PolarHBondContact O-N 3.21Å; M378-C381 PolarHBondContact O-N 3.44Å; M378-F383 HydrophobicContact CE-CD1 4.15Å; M378-F383 HydrophobicContact CE-CE1 4.18Å; M378-F383 HydrophobicContact SD-CD1 4.03Å; M378-A386 HydrophobicContact CG-CB 3.93Å; M378-A386 HydrophobicContact SD-CB 3.62Å
379	K	93	Very high	93.7	Very high	174 Å²	174	62.9 Å²	62.9	76%	0.757	32%	0.321	S	S	*	.	H	α-helix	trans	-70.8	-33.7	176	-76.8	172.3	-176.1	176.3	0	113	A375 E376 A377 C381	A375-K379 VanDerWaalsContact O-CG 3.27Å; A375-K379 WeakPolarHBondContact O-CG 3.48Å; A375-K379 PolarHBondContact O-N 3.4Å; A375-K379 VanDerWaalsContact O-N 3.13Å; E376-K379 PolarHBondContact O-N 2.96Å; E376-K379 VanDerWaalsContact O-N 3.15Å; A377-K379 VanDerWaalsContact C-N 3.34Å; A377-K379 PolarHBondContact O-N 2.93Å; K379-C381 PolarHBondContact O-N 3.43Å
380	A	95	Very high	93.8	Very high	78 Å²	78	61.3 Å²	61.3	65%	0.645	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-1.4	173.4	0	0	0	0	0	112.7	E376 A377 D382	E376-A380 PolarHBondContact O-N 3.02Å; A377-A380 CarbonylContact O-C 3.5Å; A377-A380 PolarHBondContact O-N 3.16Å; A380-D382 PolarHBondContact O-N 3.02Å
381	C	94.6	Very high	93.7	Very high	48 Å²	48	58 Å²	58	32%	0.324	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	32.1	-171.4	-48.9	0	0	0	0	111.9	C285 A377 M378 K379 F383	C285-C381 WeakPolarHBondContact CB-SG 3.19Å; C285-C381 WeakPolarHBondContact SG-CB 3.49Å; C285-C381 CovalentContact SG-SG 2.1Å; C285-C381 PolarHBondContact SG-SG 3.31Å; A377-C381 PolarHBondContact O-N 3.45Å; A377-C381 VanDerWaalsContact O-N 3.16Å; M378-C381 PolarHBondContact O-N 3.44Å; K379-C381 PolarHBondContact O-N 3.43Å; C381-F383 HydrophobicContact CB-CE1 4.15Å; C381-F383 HydrophobicContact CB-CE2 3.91Å; C381-F383 HydrophobicContact CB-CZ 3.47Å; C381-F383 VanDerWaalsContact CB-CZ 3.47Å; C381-F383 WeakPolarHBondContact O-CD2 3.38Å; C381-F383 WeakPolarHBondContact O-CE2 3.43Å; C381-F383 PolarHBondContact O-N 3.26Å
382	D	95.9	Very high	93.5	Very high	77 Å²	77	60.4 Å²	60.4	41%	0.412	32%	0.316	S	S	.	.			trans	-93.2	77	171.4	-174.7	-1.6	0	0	0	110.1	A377 A380 H385 A386	A377-D382 PolarHBondContact O-N 3.11Å; A380-D382 PolarHBondContact O-N 3.02Å; D382-H385 WeakPolarHBondContact OD1-CB 3.48Å; D382-H385 PolarHBondContact OD1-N 2.99Å; D382-H385 WeakPolarHBondContact OD2-CB 3.47Å; D382-A386 PolarHBondContact O-N 2.92Å
383	F	95.7	Very high	93.3	Very high	27 Å²	27	55.9 Å²	55.9	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-71.7	-33.2	-171.6	-50.5	-61.4	0	0	0	113.2	P248 I281 R283 M378 C381 H385 A386 V387	P248-F383 HydrophobicContact CB-CE2 4.39Å; P248-F383 HydrophobicContact CB-CZ 4.42Å; P248-F383 HydrophobicContact CG-CD1 3.7Å; P248-F383 HydrophobicContact CG-CD2 3.94Å; P248-F383 HydrophobicContact CG-CE1 3.55Å; P248-F383 HydrophobicContact CG-CE2 3.78Å; P248-F383 HydrophobicContact CG-CG 3.91Å; P248-F383 HydrophobicContact CG-CZ 3.58Å; I281-F383 HydrophobicContact CD1-CE1 4.13Å; R283-F383 HydrophobicContact CG-CE2 4.48Å; M378-F383 HydrophobicContact CE-CD1 4.15Å; M378-F383 HydrophobicContact CE-CE1 4.18Å; M378-F383 HydrophobicContact SD-CD1 4.03Å; C381-F383 HydrophobicContact CB-CE1 4.15Å; C381-F383 HydrophobicContact CB-CE2 3.91Å; C381-F383 HydrophobicContact CB-CZ 3.47Å; C381-F383 VanDerWaalsContact CB-CZ 3.47Å; C381-F383 WeakPolarHBondContact O-CD2 3.38Å; C381-F383 WeakPolarHBondContact O-CE2 3.43Å; C381-F383 PolarHBondContact O-N 3.26Å; F383-H385 VanDerWaalsContact C-N 3.35Å; F383-H385 PolarHBondContact O-N 2.86Å; F383-A386 WeakPolarHBondContact O-CB 3.35Å; F383-A386 PolarHBondContact O-N 3.24Å; F383-V387 WeakPolarHBondContact O-CG2 3.48Å; F383-V387 PolarHBondContact O-N 2.95Å
384	D	95.2	Very high	93.2	Very high	140 Å²	140	52.3 Å²	52.3	75%	0.749	29%	0.288	S	S	*	.	H	α-helix	trans	-64.7	-42.5	179.4	-71.6	-27.3	0	0	0	110.6	V387 E388	D384-V387 PolarHBondContact O-N 3.1Å; D384-E388 PolarHBondContact O-N 3.11Å
385	H	95.5	Very high	93.1	Very high	70 Å²	70	55.2 Å²	55.2	32%	0.324	30%	0.302	S	S	.	.	H	α-helix	trans	-68.7	-37.5	174.9	-168.1	50.6	0	0	0	112.2	D382 F383 V387 E388 L389	D382-H385 WeakPolarHBondContact OD1-CB 3.48Å; D382-H385 PolarHBondContact OD1-N 2.99Å; D382-H385 WeakPolarHBondContact OD2-CB 3.47Å; F383-H385 VanDerWaalsContact C-N 3.35Å; F383-H385 PolarHBondContact O-N 2.86Å; H385-V387 VanDerWaalsContact C-N 3.31Å; H385-V387 PolarHBondContact O-N 3.25Å; H385-E388 IonicContact CE1-OE2 3.73Å; H385-E388 IonicContact ND1-OE2 3.34Å; H385-E388 PolarHBondContact ND1-OE2 3.44Å; H385-E388 WeakPolarHBondContact O-CB 3.45Å; H385-E388 PolarHBondContact O-N 3.16Å; H385-L389 WeakPolarHBondContact O-CB 3.48Å; H385-L389 VanDerWaalsContact O-CG 3.27Å; H385-L389 WeakPolarHBondContact O-CG 3.5Å; H385-L389 PolarHBondContact O-N 3.5Å
386	A	95.2	Very high	93	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.7	-43.2	173.8	0	0	0	0	0	112	V374 A377 M378 D382 F383 L389 R390	V374-A386 HydrophobicContact CG1-CB 4.49Å; A377-A386 HydrophobicContact CB-CB 4.05Å; M378-A386 HydrophobicContact CG-CB 3.93Å; M378-A386 HydrophobicContact SD-CB 3.62Å; D382-A386 PolarHBondContact O-N 2.92Å; F383-A386 WeakPolarHBondContact O-CB 3.35Å; F383-A386 PolarHBondContact O-N 3.24Å; A386-L389 PolarHBondContact O-N 3.41Å; A386-R390 WeakPolarHBondContact O-CG 3.38Å; A386-R390 PolarHBondContact O-N 2.93Å
387	V	95.2	Very high	92.8	Very high	17 Å²	17	51.1 Å²	51.1	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-42.6	175.4	166.7	0	0	0	0	111.8	E246 F383 D384 H385 L389 R390 G391 F394 M395 L398	E246-V387 HydrophobicContact CB-CG2 3.81Å; E246-V387 WeakPolarHBondContact O-CG2 3.29Å; F383-V387 WeakPolarHBondContact O-CG2 3.48Å; F383-V387 PolarHBondContact O-N 2.95Å; D384-V387 PolarHBondContact O-N 3.1Å; H385-V387 VanDerWaalsContact C-N 3.31Å; H385-V387 PolarHBondContact O-N 3.25Å; V387-L389 VanDerWaalsContact C-N 3.33Å; V387-L389 PolarHBondContact O-N 3.38Å; V387-R390 PolarHBondContact O-N 3.4Å; V387-G391 PolarHBondContact O-N 3Å; V387-F394 HydrophobicContact CG2-CE1 4.43Å; V387-M395 HydrophobicContact CG1-CG 3.59Å; V387-M395 HydrophobicContact CG1-SD 4.44Å; V387-L398 HydrophobicContact CG1-CD2 4.02Å; V387-L398 HydrophobicContact CG2-CD2 3.89Å
388	E	94.1	Very high	92.7	Very high	96 Å²	96	51.4 Å²	51.4	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-60.6	-43.7	175	-177.8	-178.8	-162.6	0	0	111.6	R370 D384 H385 R390 G391	R370-E388 PolarHBondContact NH2-O 3.19Å; D384-E388 PolarHBondContact O-N 3.11Å; H385-E388 IonicContact CE1-OE2 3.73Å; H385-E388 IonicContact ND1-OE2 3.34Å; H385-E388 PolarHBondContact ND1-OE2 3.44Å; H385-E388 WeakPolarHBondContact O-CB 3.45Å; H385-E388 PolarHBondContact O-N 3.16Å; E388-R390 PolarHBondContact O-N 3.09Å; E388-G391 PolarHBondContact O-N 2.96Å; E388-G391 VanDerWaalsContact O-N 3.15Å
389	L	92.7	Very high	92.6	Very high	11 Å²	11	53 Å²	53	6%	0.058	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-36.9	179.5	-72.2	169.7	0	0	0	112.3	R370 Q373 V374 A377 H385 A386 V387 G391	R370-L389 HydrophobicContact CG-CD2 3.94Å; R370-L389 VanDerWaalsContact CZ-O 3.29Å; R370-L389 PolarHBondContact NE-O 3.38Å; R370-L389 PolarHBondContact NH2-O 2.95Å; Q373-L389 HydrophobicContact CB-CD1 3.71Å; Q373-L389 HydrophobicContact CB-CD2 4.28Å; V374-L389 HydrophobicContact CG2-CB 3.48Å; V374-L389 VanDerWaalsContact CG2-CB 3.48Å; V374-L389 HydrophobicContact CG2-CD1 4.17Å; V374-L389 HydrophobicContact CG2-CG 4.47Å; A377-L389 HydrophobicContact CB-CD1 4.34Å; H385-L389 WeakPolarHBondContact O-CB 3.48Å; H385-L389 VanDerWaalsContact O-CG 3.27Å; H385-L389 WeakPolarHBondContact O-CG 3.5Å; H385-L389 PolarHBondContact O-N 3.5Å; A386-L389 PolarHBondContact O-N 3.41Å; V387-L389 VanDerWaalsContact C-N 3.33Å; V387-L389 PolarHBondContact O-N 3.38Å; L389-G391 PolarHBondContact O-N 2.84Å
390	R	91.2	Very high	92.4	Very high	34 Å²	34	45.3 Å²	45.3	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-31.4	172.9	-70.5	-70.6	-168.6	-151.6	-2	112.8	D182 H225 C226 E246 A386 V387 E388 F394	D182-R390 PolarHBondContact O-NH1 2.99Å; H225-R390 PolarHBondContact O-NH2 3.27Å; C226-R390 VanDerWaalsContact SG-CZ 3.56Å; E246-R390 HydrophobicContact CG-CG 4.39Å; E246-R390 IonicContact OE1-CZ 3.76Å; E246-R390 IonicContact OE1-NE 3.96Å; E246-R390 PolarHBondContact OE1-NE 3.44Å; E246-R390 IonicContact OE1-NH2 2.88Å; E246-R390 PolarHBondContact OE1-NH2 2.7Å; A386-R390 WeakPolarHBondContact O-CG 3.38Å; A386-R390 PolarHBondContact O-N 2.93Å; V387-R390 PolarHBondContact O-N 3.4Å; E388-R390 PolarHBondContact O-N 3.09Å; R390-F394 HydrophobicContact CB-CB 3.78Å; R390-F394 HydrophobicContact CB-CD1 4.22Å; R390-F394 HydrophobicContact CB-CD2 4.31Å; R390-F394 HydrophobicContact CB-CG 3.85Å; R390-F394 HydrophobicContact CG-CD1 4.48Å; R390-F394 HydrophobicContact CG-CD2 4.4Å; R390-F394 HydrophobicContact CG-CG 4.29Å
391	G	88.8	Confident	92.2	Very high	12 Å²	12	42.1 Å²	42.1	12%	0.124	23%	0.234	C	C	.	.			trans	102.3	179.1	172.2	0	0	0	0	0	115	V387 E388 L389 S393 F394 M395	V387-G391 PolarHBondContact O-N 3Å; E388-G391 PolarHBondContact O-N 2.96Å; E388-G391 VanDerWaalsContact O-N 3.15Å; L389-G391 PolarHBondContact O-N 2.84Å; G391-S393 PolarHBondContact O-N 3.21Å; G391-F394 PolarHBondContact O-N 2.72Å; G391-M395 WeakPolarHBondContact O-CG 3.46Å; G391-M395 PolarHBondContact O-N 3.41Å; G391-M395 VanDerWaalsContact O-N 3.08Å
392	T	86.1	Confident	92	Very high	68 Å²	68	42.2 Å²	42.2	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-65.8	-37.1	-165.2	-50.8	0	0	0	0	113.6	M395 N396	T392-M395 PolarHBondContact O-N 3.42Å; T392-N396 WeakPolarHBondContact O-CB 3.35Å; T392-N396 PolarHBondContact O-N 2.85Å; T392-N396 PolarHBondContact O-ND2 3.34Å
393	S	85.8	Confident	91.6	Very high	34 Å²	34	41.2 Å²	41.2	24%	0.238	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-48.9	176.2	178.3	0	0	0	0	111.5	D187 G391 N396 N397	D187-S393 WeakPolarHBondContact OD1-CB 3.21Å; G391-S393 PolarHBondContact O-N 3.21Å; S393-N396 PolarHBondContact O-N 3.47Å; S393-N397 PolarHBondContact O-N 3.46Å; S393-N397 VanDerWaalsContact O-N 3.09Å; S393-N397 PolarHBondContact O-ND2 3.27Å
394	F	91.7	Very high	91	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-47.8	177.3	-166.3	-80.4	0	0	0	111.5	Y228 L231 I244 E246 V387 R390 G391 N396 N397 L398	Y228-F394 HydrophobicContact CD2-CD2 4.02Å; L231-F394 HydrophobicContact CD2-CE1 4.22Å; L231-F394 HydrophobicContact CD2-CE2 4.29Å; L231-F394 HydrophobicContact CD2-CZ 4.05Å; I244-F394 HydrophobicContact CD1-CZ 4.38Å; E246-F394 HydrophobicContact CB-CE1 3.8Å; E246-F394 HydrophobicContact CB-CZ 3.83Å; E246-F394 HydrophobicContact CG-CE1 3.99Å; E246-F394 HydrophobicContact CG-CZ 3.73Å; V387-F394 HydrophobicContact CG2-CE1 4.43Å; R390-F394 HydrophobicContact CB-CB 3.78Å; R390-F394 HydrophobicContact CB-CD1 4.22Å; R390-F394 HydrophobicContact CB-CD2 4.31Å; R390-F394 HydrophobicContact CB-CG 3.85Å; R390-F394 HydrophobicContact CG-CD1 4.48Å; R390-F394 HydrophobicContact CG-CD2 4.4Å; R390-F394 HydrophobicContact CG-CG 4.29Å; G391-F394 PolarHBondContact O-N 2.72Å; F394-N396 VanDerWaalsContact C-N 3.31Å; F394-N396 PolarHBondContact O-N 3.35Å; F394-N397 PolarHBondContact O-N 3.03Å; F394-L398 HydrophobicContact CE1-CD2 4.39Å; F394-L398 WeakPolarHBondContact O-CB 3.44Å; F394-L398 PolarHBondContact O-N 2.75Å
395	M	92	Very high	90.5	Very high	63 Å²	63	36 Å²	36	31%	0.31	20%	0.199	S	C	.	.	H	α-helix	trans	-56.5	-43.3	177.4	-72.6	-167.8	-70.9	0	0	112.6	V387 G391 T392 L398 A399	V387-M395 HydrophobicContact CG1-CG 3.59Å; V387-M395 HydrophobicContact CG1-SD 4.44Å; G391-M395 WeakPolarHBondContact O-CG 3.46Å; G391-M395 PolarHBondContact O-N 3.41Å; G391-M395 VanDerWaalsContact O-N 3.08Å; T392-M395 PolarHBondContact O-N 3.42Å; M395-L398 PolarHBondContact O-N 3.49Å; M395-A399 VanDerWaalsContact O-CB 3.32Å; M395-A399 WeakPolarHBondContact O-CB 3.31Å; M395-A399 PolarHBondContact O-N 3.39Å
396	N	89.1	Confident	89.7	Confident	83 Å²	83	40.2 Å²	40.2	44%	0.444	22%	0.216	S	C	.	.	H	α-helix	trans	-66.2	-40.8	179.4	-74.6	-21.2	0	0	0	112.1	T392 S393 F394 T400	T392-N396 WeakPolarHBondContact O-CB 3.35Å; T392-N396 PolarHBondContact O-N 2.85Å; T392-N396 PolarHBondContact O-ND2 3.34Å; S393-N396 PolarHBondContact O-N 3.47Å; F394-N396 VanDerWaalsContact C-N 3.31Å; F394-N396 PolarHBondContact O-N 3.35Å; N396-T400 WeakPolarHBondContact O-CB 3.47Å; N396-T400 PolarHBondContact O-N 2.93Å; N396-T400 PolarHBondContact O-OG1 2.92Å
397	N	91.9	Very high	88.7	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-46.1	173.7	-70.2	-28.4	0	0	0	110.7	L231 M235 S393 F394 T400 Y401 K699	L231-N397 HydrophobicContact CD2-CB 3.75Å; L231-N397 HydrophobicContact CG-CB 4.18Å; M235-N397 HydrophobicContact SD-CB 4.16Å; M235-N397 VanDerWaalsContact SD-O 3.39Å; S393-N397 PolarHBondContact O-N 3.46Å; S393-N397 VanDerWaalsContact O-N 3.09Å; S393-N397 PolarHBondContact O-ND2 3.27Å; F394-N397 PolarHBondContact O-N 3.03Å; N397-T400 PolarHBondContact O-N 3.46Å; N397-Y401 WeakPolarHBondContact O-CB 3.49Å; N397-Y401 PolarHBondContact O-N 2.79Å; N397-K699 WeakPolarHBondContact OD1-CE 3.39Å; N397-K699 PolarHBondContact OD1-NZ 3.33Å
398	L	93.7	Very high	87.7	Confident	13 Å²	13	44.6 Å²	44.6	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-47.1	-179.1	-174.3	61.8	0	0	0	111.5	L231 I244 M247 V387 F394 M395 T400 Y401 I402	L231-L398 HydrophobicContact CD1-CD1 4.26Å; L231-L398 HydrophobicContact CD2-CB 4.16Å; L231-L398 HydrophobicContact CD2-CD1 4.43Å; I244-L398 HydrophobicContact CD1-CD1 3.74Å; M247-L398 HydrophobicContact CB-CD1 4.16Å; M247-L398 HydrophobicContact CB-CD2 4.49Å; M247-L398 HydrophobicContact CE-CD1 4.26Å; M247-L398 HydrophobicContact SD-CD1 3.82Å; V387-L398 HydrophobicContact CG1-CD2 4.02Å; V387-L398 HydrophobicContact CG2-CD2 3.89Å; F394-L398 HydrophobicContact CE1-CD2 4.39Å; F394-L398 WeakPolarHBondContact O-CB 3.44Å; F394-L398 PolarHBondContact O-N 2.75Å; M395-L398 PolarHBondContact O-N 3.49Å; L398-T400 VanDerWaalsContact C-N 3.29Å; L398-T400 PolarHBondContact O-N 2.7Å; L398-Y401 PolarHBondContact O-N 3Å; L398-I402 HydrophobicContact CD1-CD1 4.23Å; L398-I402 HydrophobicContact CD1-CG1 4.38Å; L398-I402 HydrophobicContact CG-CD1 3.88Å; L398-I402 HydrophobicContact CG-CG1 4.45Å; L398-I402 WeakPolarHBondContact O-CB 3.26Å; L398-I402 VanDerWaalsContact O-CG1 3.27Å; L398-I402 WeakPolarHBondContact O-CG1 3.15Å; L398-I402 PolarHBondContact O-N 2.88Å
399	A	91.6	Very high	86.6	Confident	58 Å²	58	43.3 Å²	43.3	48%	0.479	23%	0.23	S	C	.	.	H	α-helix	trans	-59.6	-41.4	176.3	0	0	0	0	0	111.8	M395 K403	M395-A399 VanDerWaalsContact O-CB 3.32Å; M395-A399 WeakPolarHBondContact O-CB 3.31Å; M395-A399 PolarHBondContact O-N 3.39Å; A399-K403 WeakPolarHBondContact O-CB 3.45Å; A399-K403 PolarHBondContact O-N 3.41Å
400	T	88.5	Confident	85.4	Confident	14 Å²	14	44.1 Å²	44.1	9%	0.086	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-47.5	176.3	-56.4	0	0	0	0	110.8	M235 N396 N397 L398 K403 L404 K699	M235-T400 HydrophobicContact CE-CG2 3.55Å; M235-T400 HydrophobicContact SD-CG2 4.47Å; N396-T400 WeakPolarHBondContact O-CB 3.47Å; N396-T400 PolarHBondContact O-N 2.93Å; N396-T400 PolarHBondContact O-OG1 2.92Å; N397-T400 PolarHBondContact O-N 3.46Å; L398-T400 VanDerWaalsContact C-N 3.29Å; L398-T400 PolarHBondContact O-N 2.7Å; T400-K403 PolarHBondContact O-N 3.18Å; T400-L404 HydrophobicContact CG2-CD1 3.82Å; T400-L404 HydrophobicContact CG2-CG 4.38Å; T400-L404 WeakPolarHBondContact O-CB 3.38Å; T400-L404 VanDerWaalsContact O-CG 3.23Å; T400-L404 WeakPolarHBondContact O-CG 3.38Å; T400-L404 PolarHBondContact O-N 2.88Å; T400-K699 HydrophobicContact CG2-CG 4.2Å
401	Y	92.3	Very high	84	Confident	11 Å²	11	51.6 Å²	51.6	4%	0.043	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-48.5	176.6	170.4	-97.9	0	0	0	112.1	L231 V242 M247 N397 L398 K403 L404 S405	L231-Y401 VanDerWaalsContact CD1-CB 3.47Å; L231-Y401 HydrophobicContact CD1-CD1 4.15Å; L231-Y401 HydrophobicContact CD1-CD2 4.44Å; L231-Y401 HydrophobicContact CD1-CG 3.75Å; V242-Y401 HydrophobicContact CB-CE2 4.17Å; V242-Y401 HydrophobicContact CG1-CD1 4.01Å; V242-Y401 HydrophobicContact CG1-CD2 4.33Å; V242-Y401 HydrophobicContact CG1-CE1 3.4Å; V242-Y401 HydrophobicContact CG1-CE2 3.75Å; V242-Y401 HydrophobicContact CG1-CG 4.45Å; V242-Y401 WeakPolarHBondContact CG1-OH 3.38Å; V242-Y401 PolarHBondContact N-OH 3.28Å; M247-Y401 HydrophobicContact CE-CD1 4.34Å; M247-Y401 HydrophobicContact CE-CE1 3.99Å; N397-Y401 WeakPolarHBondContact O-CB 3.49Å; N397-Y401 PolarHBondContact O-N 2.79Å; L398-Y401 PolarHBondContact O-N 3Å; Y401-K403 VanDerWaalsContact C-N 3.27Å; Y401-K403 PolarHBondContact O-N 3.48Å; Y401-L404 CarbonylContact O-C 3.58Å; Y401-L404 PolarHBondContact O-N 3.46Å; Y401-L404 VanDerWaalsContact O-N 3.08Å; Y401-S405 WeakPolarHBondContact O-CB 3.44Å; Y401-S405 PolarHBondContact O-N 3.3Å; Y401-S405 PolarHBondContact O-OG 3.26Å
402	I	90.5	Very high	82.4	Confident	49 Å²	49	59.4 Å²	59.4	25%	0.251	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-41.8	178.9	-68.9	168.4	0	0	0	110.7	M247 L398 L404 S405 K406	M247-I402 HydrophobicContact SD-CD1 3.64Å; M247-I402 HydrophobicContact SD-CG1 3.71Å; L398-I402 HydrophobicContact CD1-CD1 4.23Å; L398-I402 HydrophobicContact CD1-CG1 4.38Å; L398-I402 HydrophobicContact CG-CD1 3.88Å; L398-I402 HydrophobicContact CG-CG1 4.45Å; L398-I402 WeakPolarHBondContact O-CB 3.26Å; L398-I402 VanDerWaalsContact O-CG1 3.27Å; L398-I402 WeakPolarHBondContact O-CG1 3.15Å; L398-I402 PolarHBondContact O-N 2.88Å; I402-L404 VanDerWaalsContact C-N 3.35Å; I402-S405 PolarHBondContact O-OG 2.75Å; I402-K406 HydrophobicContact CG2-CD 4.15Å; I402-K406 VanDerWaalsContact O-CG 3.29Å; I402-K406 WeakPolarHBondContact O-CG 3.13Å; I402-K406 PolarHBondContact O-N 2.82Å
403	K	86.2	Confident	80.4	Confident	56 Å²	56	60.4 Å²	60.4	24%	0.243	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-45.4	176.2	-175.7	-178.7	174.3	-166.5	0	110.8	A399 T400 Y401 I407 L445 S702 D706	A399-K403 WeakPolarHBondContact O-CB 3.45Å; A399-K403 PolarHBondContact O-N 3.41Å; T400-K403 PolarHBondContact O-N 3.18Å; Y401-K403 VanDerWaalsContact C-N 3.27Å; Y401-K403 PolarHBondContact O-N 3.48Å; K403-I407 VanDerWaalsContact O-CG1 3.28Å; K403-I407 WeakPolarHBondContact O-CG1 3.33Å; K403-L445 HydrophobicContact CG-CD2 4.47Å; K403-S702 WeakPolarHBondContact CD-OG 3.49Å; K403-S702 PolarHBondContact NZ-O 3.21Å; K403-S702 PolarHBondContact NZ-OG 3.4Å; K403-D706 IonicContact NZ-OD1 2.67Å; K403-D706 PolarHBondContact NZ-OD1 3.22Å; K403-D706 IonicContact NZ-OD2 3.01Å; K403-D706 PolarHBondContact NZ-OD2 3.29Å
404	L	84.5	Confident	78.6	Confident	28 Å²	28	63 Å²	63	15%	0.147	32%	0.321	C	S	.	.	H	α-helix	trans	-72.9	-34.7	-177.6	-66.1	171.9	0	0	0	113.8	T400 Y401 I402 I407 L445 T698	T400-L404 HydrophobicContact CG2-CD1 3.82Å; T400-L404 HydrophobicContact CG2-CG 4.38Å; T400-L404 WeakPolarHBondContact O-CB 3.38Å; T400-L404 VanDerWaalsContact O-CG 3.23Å; T400-L404 WeakPolarHBondContact O-CG 3.38Å; T400-L404 PolarHBondContact O-N 2.88Å; Y401-L404 CarbonylContact O-C 3.58Å; Y401-L404 PolarHBondContact O-N 3.46Å; Y401-L404 VanDerWaalsContact O-N 3.08Å; I402-L404 VanDerWaalsContact C-N 3.35Å; L404-I407 HydrophobicContact CB-CD1 4.34Å; L404-I407 HydrophobicContact CD2-CD1 3.66Å; L404-I407 WeakPolarHBondContact O-CB 3.42Å; L404-I407 VanDerWaalsContact O-CG1 3.26Å; L404-I407 WeakPolarHBondContact O-CG1 3.4Å; L404-I407 PolarHBondContact O-N 2.99Å; L404-L445 HydrophobicContact CD2-CD1 4.04Å; L404-L445 HydrophobicContact CD2-CG 4.38Å; L404-T698 HydrophobicContact CD1-CG2 3.28Å
405	S	83	Confident	76.6	Confident	31 Å²	31	67.5 Å²	67.5	22%	0.217	34%	0.343	C	S	.	.	H	α-helix	trans	-72	-31.3	-178.2	64.9	0	0	0	0	112.4	K260 Y401 I402 I407	K260-S405 PolarHBondContact NZ-O 3.46Å; Y401-S405 WeakPolarHBondContact O-CB 3.44Å; Y401-S405 PolarHBondContact O-N 3.3Å; Y401-S405 PolarHBondContact O-OG 3.26Å; I402-S405 PolarHBondContact O-OG 2.75Å; S405-I407 PolarHBondContact O-N 2.91Å
406	K	79.9	Confident	74.2	Confident	157 Å²	157	69.1 Å²	69.1	68%	0.683	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.5	174.4	-70.4	176	-179.6	178	0	113.9	I402 E408	I402-K406 HydrophobicContact CG2-CD 4.15Å; I402-K406 VanDerWaalsContact O-CG 3.29Å; I402-K406 WeakPolarHBondContact O-CG 3.13Å; I402-K406 PolarHBondContact O-N 2.82Å; K406-E408 PolarHBondContact O-N 3.47Å
407	I	74.6	Confident	72.2	Confident	17 Å²	17	69 Å²	69	9%	0.087	37%	0.366	C	S	.	.			trans	-71.1	118.3	-179.3	-50.6	174.9	0	0	0	108.7	K260 K403 L404 S405 R444 L445 T448 W473	K260-I407 PolarHBondContact NZ-O 3.44Å; K403-I407 VanDerWaalsContact O-CG1 3.28Å; K403-I407 WeakPolarHBondContact O-CG1 3.33Å; L404-I407 HydrophobicContact CB-CD1 4.34Å; L404-I407 HydrophobicContact CD2-CD1 3.66Å; L404-I407 WeakPolarHBondContact O-CB 3.42Å; L404-I407 VanDerWaalsContact O-CG1 3.26Å; L404-I407 WeakPolarHBondContact O-CG1 3.4Å; L404-I407 PolarHBondContact O-N 2.99Å; S405-I407 PolarHBondContact O-N 2.91Å; I407-R444 HydrophobicContact CG2-CB 4.48Å; I407-L445 HydrophobicContact CD1-CD2 3.31Å; I407-L445 HydrophobicContact CD1-CG 3.61Å; I407-L445 HydrophobicContact CG1-CD2 3.92Å; I407-T448 HydrophobicContact CB-CG2 4.47Å; I407-T448 HydrophobicContact CG2-CG2 3.26Å; I407-W473 HydrophobicContact CB-CH2 4.16Å; I407-W473 HydrophobicContact CG2-CH2 3.28Å; I407-W473 HydrophobicContact CG2-CZ3 3.49Å; I407-W473 VanDerWaalsContact CG2-CZ3 3.49Å
408	E	73.1	Confident	70.1	Confident	92 Å²	92	78.1 Å²	78.1	43%	0.43	41%	0.409	S	S	.	.			trans	-120.4	149.1	170.5	-67.6	-178.8	173.8	0	0	108.5	K406 P410 T448	K406-E408 PolarHBondContact O-N 3.47Å; E408-P410 WeakPolarHBondContact O-CD 3.31Å; E408-T448 VanDerWaalsContact O-CG2 3.26Å; E408-T448 WeakPolarHBondContact O-CG2 3.3Å
409	Q	71	Confident	68.3	Low	70 Å²	70	80.5 Å²	80.5	33%	0.327	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-60.9	123.7	173	-174.1	171.3	-9.6	0	0	108.1	H267 R411 W473	H267-Q409 PolarHBondContact CD2-OE1 3.15Å; Q409-R411 PolarHBondContact O-N 3Å; Q409-W473 HydrophobicContact CB-CD2 4.06Å; Q409-W473 HydrophobicContact CB-CE3 4.29Å; Q409-W473 HydrophobicContact CB-CG 4.36Å; Q409-W473 HydrophobicContact CG-CB 4.43Å; Q409-W473 HydrophobicContact CG-CD2 4.35Å; Q409-W473 HydrophobicContact CG-CG 4.3Å
410	P	67.7	Low	67.7	Low	27 Å²	27	82.9 Å²	82.9	18%	0.175	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-58.1	136.8	179.4	-22.6	32.6	0	0	0	110.2	E408 Q412 I447 T448	E408-P410 WeakPolarHBondContact O-CD 3.31Å; P410-Q412 PolarHBondContact O-N 3.38Å; P410-I447 HydrophobicContact CG-CG2 4.22Å; P410-T448 HydrophobicContact CG-CG2 4.31Å
411	R	62.2	Low	67.9	Low	191 Å²	191	82.6 Å²	82.6	72%	0.721	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-59.4	139.9	170.1	-67.4	-177.4	-178.7	170.4	2.1	108.3	Q409 S413 V414	Q409-R411 PolarHBondContact O-N 3Å; R411-S413 PolarHBondContact O-N 3.32Å; R411-V414 PolarHBondContact O-N 2.81Å
412	Q	55.4	Low	68.1	Low	176 Å²	176	85.4 Å²	85.4	82%	0.822	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-29.1	-177.3	-78.8	-180	-15.7	0	0	113.7	P410 V414 M415	P410-Q412 PolarHBondContact O-N 3.38Å; Q412-V414 PolarHBondContact O-N 3.38Å; Q412-M415 PolarHBondContact O-N 3.31Å
413	S	43.3	Very low	68.4	Low	89 Å²	89	83 Å²	83	62%	0.622	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-16	177.1	62.7	0	0	0	0	115.6	R411 S416	R411-S413 PolarHBondContact O-N 3.32Å; S413-S416 PolarHBondContact O-OG 3Å
414	V	48.5	Very low	68.9	Low	89 Å²	89	80.4 Å²	80.4	54%	0.539	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-26.2	175.7	-173.5	0	0	0	0	110.9	R411 Q412 S416 S417	R411-V414 PolarHBondContact O-N 2.81Å; Q412-V414 PolarHBondContact O-N 3.38Å; V414-S416 PolarHBondContact O-N 3.09Å; V414-S416 VanDerWaalsContact O-N 3.13Å; V414-S417 PolarHBondContact O-N 3.33Å; V414-S417 PolarHBondContact O-OG 2.75Å
415	M	48.5	Very low	69.6	Low	103 Å²	103	79 Å²	79	51%	0.507	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11	178.4	-65	-175.2	68.4	0	0	113.5	Q412 S417	Q412-M415 PolarHBondContact O-N 3.31Å; M415-S417 VanDerWaalsContact C-N 3.34Å
416	S	43.5	Very low	70.3	Confident	96 Å²	96	77.6 Å²	77.6	67%	0.671	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	3.1	176.5	47.7	0	0	0	0	114.7	S413 V414 E418	S413-S416 PolarHBondContact O-OG 3Å; V414-S416 PolarHBondContact O-N 3.09Å; V414-S416 VanDerWaalsContact O-N 3.13Å; S416-E418 PolarHBondContact O-N 2.94Å
417	S	45.2	Very low	71.2	Confident	81 Å²	81	70.1 Å²	70.1	57%	0.566	36%	0.362	S	S	*	.	S	Bend	trans	-79.6	101.4	176.8	62.6	0	0	0	0	112	V414 M415 N419	V414-S417 PolarHBondContact O-N 3.33Å; V414-S417 PolarHBondContact O-OG 2.75Å; M415-S417 VanDerWaalsContact C-N 3.34Å; S417-N419 VanDerWaalsContact C-N 3.26Å; S417-N419 PolarHBondContact O-N 2.89Å
418	E	49.6	Very low	72.3	Confident	192 Å²	192	69.3 Å²	69.3	90%	0.897	36%	0.357	S	S	*	.	S	Bend	trans	37.6	-25	151.5	-65.5	-175.5	165.2	0	0	123.1	S416	S416-E418 PolarHBondContact O-N 2.94Å
419	N	55.6	Low	73.4	Confident	64 Å²	64	65.1 Å²	65.1	34%	0.342	34%	0.338	S	S	.	.			trans	-118.2	92.3	-179.1	-90.7	-17.5	0	0	0	111.9	S417 L421 S720	S417-N419 VanDerWaalsContact C-N 3.26Å; S417-N419 PolarHBondContact O-N 2.89Å; N419-L421 HydrophobicContact CB-CD1 4.13Å; N419-L421 HydrophobicContact CB-CG 4.08Å; N419-L421 PolarHBondContact O-N 2.76Å; N419-S720 PolarHBondContact OD1-OG 2.99Å
420	N	77.8	Confident	74.6	Confident	108 Å²	108	63.1 Å²	63.1	58%	0.578	33%	0.334	S	S	*	.			trans	-76.9	40.3	177.5	-149.7	2.3	0	0	0	111.6	K452	N420-K452 WeakPolarHBondContact OD1-CD 3.36Å; N420-K452 WeakPolarHBondContact OD1-CE 3.32Å; N420-K452 PolarHBondContact OD1-NZ 3.2Å
421	L	92.8	Very high	75.9	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.042	34%	0.338	C	S	.	.			trans	-71.8	142.9	-174.6	-64.3	174.1	0	0	0	110.4	N419 Y451 K452 S512 I712 I716 S720 V722	N419-L421 HydrophobicContact CB-CD1 4.13Å; N419-L421 HydrophobicContact CB-CG 4.08Å; N419-L421 PolarHBondContact O-N 2.76Å; L421-Y451 HydrophobicContact CB-CD1 3.87Å; L421-Y451 HydrophobicContact CB-CE1 3.99Å; L421-Y451 HydrophobicContact CD1-CE1 4.15Å; L421-K452 PolarHBondContact O-N 3.3Å; L421-S512 WeakPolarHBondContact CD2-OG 3.41Å; L421-I712 HydrophobicContact CD1-CG2 3.85Å; L421-I716 HydrophobicContact CD1-CD1 3.75Å; L421-I716 HydrophobicContact CD1-CG1 4.23Å; L421-S720 VanDerWaalsContact CD2-O 3.27Å; L421-S720 WeakPolarHBondContact CD2-O 3.34Å; L421-V722 HydrophobicContact CD2-CG2 4.38Å
422	R	96	Very high	77.6	Confident	69 Å²	69	54.7 Å²	54.7	26%	0.26	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133	-172.5	-63.3	171.2	-179.6	-165.3	-3.9	110.4	K452 I454 L509 L511 S512	R422-K452 CarbonylContact C-O 3.59Å; R422-K452 VanDerWaalsContact CA-O 3.27Å; R422-K452 WeakPolarHBondContact CA-O 3.33Å; R422-K452 HydrophobicContact CG-CB 4.07Å; R422-I454 HydrophobicContact CB-CG1 4.18Å; R422-L509 WeakPolarHBondContact CD-O 3.32Å; R422-L509 PolarHBondContact NH1-O 3.05Å; R422-L511 HydrophobicContact CB-CD2 4.46Å; R422-S512 PolarHBondContact N-OG 3.19Å; R422-S512 WeakPolarHBondContact O-CB 3.43Å; R422-S512 PolarHBondContact O-N 3.17Å
423	I	97.3	Very high	79.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.9	174.7	-55.8	179.1	0	0	0	108.7	F442 Y451 K452 V453 I454 G513 I705 L708 I712	I423-F442 HydrophobicContact CB-CE1 4.47Å; I423-F442 HydrophobicContact CG2-CE1 3.83Å; I423-F442 HydrophobicContact CG2-CZ 3.76Å; I423-Y451 HydrophobicContact CD1-CD1 3.67Å; I423-Y451 HydrophobicContact CD1-CD2 3.71Å; I423-Y451 HydrophobicContact CD1-CE1 4.02Å; I423-Y451 HydrophobicContact CD1-CE2 4.07Å; I423-Y451 HydrophobicContact CD1-CG 3.5Å; I423-Y451 VanDerWaalsContact CD1-CG 3.5Å; I423-Y451 HydrophobicContact CG1-CD1 3.86Å; I423-Y451 HydrophobicContact CG1-CE1 4.44Å; I423-Y451 HydrophobicContact CG1-CG 4Å; I423-K452 PolarHBondContact N-O 2.94Å; I423-V453 WeakPolarHBondContact O-CA 3.41Å; I423-I454 PolarHBondContact O-N 3.23Å; I423-G513 WeakPolarHBondContact CA-O 3.47Å; I423-I705 HydrophobicContact CD1-CD1 3.85Å; I423-L708 HydrophobicContact CG2-CD1 4.19Å; I423-I712 HydrophobicContact CD1-CD1 3.75Å; I423-I712 HydrophobicContact CG1-CD1 3.99Å
424	G	98	Very high	82.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	145.4	175.5	0	0	0	0	0	111.6	I454 G513 L514 L515	G424-I454 CarbonylContact C-O 3.59Å; G424-I454 WeakPolarHBondContact CA-O 3.08Å; G424-G513 PolarHBondContact N-O 2.73Å; G424-L514 CarbonylContact O-C 3.5Å; G424-L514 WeakPolarHBondContact O-CA 3.34Å; G424-L515 PolarHBondContact O-N 3.11Å
425	I	98.3	Very high	84.4	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.5	168.3	-52.2	176.8	0	0	0	108.3	I439 F442 V453 I454 I456 L487 L515 I517	I425-I439 HydrophobicContact CD1-CG2 4.37Å; I425-I439 HydrophobicContact CG2-CG1 4.19Å; I425-F442 HydrophobicContact CD1-CD1 3.42Å; I425-F442 VanDerWaalsContact CD1-CD1 3.42Å; I425-F442 HydrophobicContact CD1-CE1 3.95Å; I425-F442 HydrophobicContact CD1-CG 4.27Å; I425-F442 HydrophobicContact CG1-CD1 3.96Å; I425-F442 HydrophobicContact CG1-CE1 3.99Å; I425-V453 HydrophobicContact CD1-CG1 3.38Å; I425-V453 HydrophobicContact CG1-CG1 3.93Å; I425-I454 PolarHBondContact N-O 2.78Å; I425-I456 WeakPolarHBondContact O-CB 3.45Å; I425-I456 PolarHBondContact O-N 3.2Å; I425-L487 HydrophobicContact CG2-CD1 4.32Å; I425-L515 WeakPolarHBondContact CA-O 3.49Å; I425-L515 HydrophobicContact CG1-CB 4.31Å; I425-L515 HydrophobicContact CG1-CD2 4.48Å; I425-L515 HydrophobicContact CG2-CB 4.48Å; I425-L515 HydrophobicContact CG2-CD2 4.2Å; I425-I517 HydrophobicContact CG2-CD1 4Å
426	V	98.3	Very high	86.8	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.5	178.4	64.4	0	0	0	0	111.2	V428 I456 F460 L514 L515 I516 I517	V426-V428 HydrophobicContact CG1-CG2 4.43Å; V426-V428 HydrophobicContact CG2-CG2 4.15Å; V426-I456 HydrophobicContact CB-CB 3.9Å; V426-I456 HydrophobicContact CB-CD1 4.1Å; V426-I456 HydrophobicContact CB-CG2 4.19Å; V426-I456 HydrophobicContact CG2-CB 3.99Å; V426-I456 HydrophobicContact CG2-CG2 3.76Å; V426-F460 HydrophobicContact CG1-CE2 4.46Å; V426-F460 HydrophobicContact CG1-CZ 4.07Å; V426-L514 HydrophobicContact CG1-CD1 4.19Å; V426-L515 PolarHBondContact N-O 2.94Å; V426-I516 HydrophobicContact CG1-CB 4.26Å; V426-I516 HydrophobicContact CG1-CD1 4.41Å; V426-I516 HydrophobicContact CG1-CG1 3.84Å; V426-I516 HydrophobicContact CG1-CG2 4.16Å; V426-I516 WeakPolarHBondContact O-CA 3.29Å; V426-I517 PolarHBondContact O-N 3.07Å
427	N	98.3	Very high	89.3	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.3	172.1	-62.7	-21.4	0	0	0	110.3	I435 I439 G459 S485 G488 I517	N427-I435 VanDerWaalsContact ND2-CG2 3.32Å; N427-I435 WeakPolarHBondContact ND2-CG2 3.4Å; N427-I439 WeakPolarHBondContact ND2-CD1 3.35Å; N427-G459 WeakPolarHBondContact O-CA 3.43Å; N427-S485 PolarHBondContact ND2-OG 3.36Å; N427-G488 WeakPolarHBondContact CB-O 3.06Å; N427-I517 CarbonylContact C-O 3.38Å; N427-I517 VanDerWaalsContact CA-O 3.25Å; N427-I517 WeakPolarHBondContact CA-O 3.45Å
428	V	98.2	Very high	91.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.6	-178.6	-175.1	0	0	0	0	110.7	V426 F460 R490 I516 I517 G518 G519 E521 A522	V426-V428 HydrophobicContact CG1-CG2 4.43Å; V426-V428 HydrophobicContact CG2-CG2 4.15Å; V428-F460 HydrophobicContact CG2-CD2 3.93Å; V428-F460 HydrophobicContact CG2-CE2 3.74Å; V428-R490 CarbonylContact C-O 3.5Å; V428-R490 WeakPolarHBondContact CA-O 3.4Å; V428-I516 HydrophobicContact CB-CG2 4.47Å; V428-I516 HydrophobicContact CG2-CG2 4.02Å; V428-I517 PolarHBondContact N-O 3.02Å; V428-G518 WeakPolarHBondContact O-CA 3.43Å; V428-G519 PolarHBondContact O-N 3.47Å; V428-E521 HydrophobicContact CG1-CB 3.91Å; V428-A522 HydrophobicContact CB-CB 3.98Å; V428-A522 HydrophobicContact CG1-CB 4.5Å
429	G	96.7	Very high	94	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.031	9%	0.085	C	C	.	.	S	Bend	trans	104.4	-158.2	-179.2	0	0	0	0	0	113.2	T489 R490	G429-T489 PolarHBondContact N-OG1 2.86Å; G429-T489 VanDerWaalsContact O-CG2 3.29Å; G429-T489 WeakPolarHBondContact O-CG2 3.37Å; G429-T489 PolarHBondContact O-OG1 3.28Å; G429-R490 PolarHBondContact N-O 3.02Å
430	A	95.6	Very high	95.9	Very high	29 Å²	29	13.5 Å²	13.5	24%	0.24	7%	0.073	C	C	.	.	S	Bend	trans	-74.1	150.6	175.5	0	0	0	0	0	111.2
431	P	95.6	Very high	96.6	Very high	39 Å²	39	8.4 Å²	8.4	25%	0.253	5%	0.045	S	C	.	.			trans	-64.8	144.7	173.9	28.6	-34.5	0	0	0	110.7	T489	P431-T489 HydrophobicContact CB-CG2 4.23Å
432	A	96.5	Very high	96.8	Very high	1 Å²	1	8 Å²	8	1%	0.008	4%	0.043	C	C	.	.			trans	-143.8	144.7	177.5	0	0	0	0	0	110	I435 A548	A432-I435 HydrophobicContact CB-CD1 4.07Å; A432-I435 HydrophobicContact CB-CG1 4.43Å; A432-I435 WeakPolarHBondContact O-CD1 3.39Å; A432-I435 VanDerWaalsContact O-CG1 3.27Å; A432-I435 WeakPolarHBondContact O-CG1 3.29Å; A432-A548 HydrophobicContact CB-CB 4.38Å
433	C	96.9	Very high	96.7	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.007	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	142.7	174.1	-86.8	0	0	0	0	111.5	L561 G562 T565 Q685 P689	C433-L561 CarbonylContact O-C 3.49Å; C433-G562 VanDerWaalsContact O-CA 3.3Å; C433-G562 WeakPolarHBondContact O-CA 3.48Å; C433-G562 PolarHBondContact O-N 2.79Å; C433-T565 HydrophobicContact CB-CG2 3.87Å; C433-T565 WeakPolarHBondContact CB-OG1 3.4Å; C433-Q685 PolarHBondContact SG-O 2.82Å; C433-P689 HydrophobicContact CB-CB 3.73Å
434	G	96.5	Very high	96.5	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.01	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	-17.9	-177.7	0	0	0	0	0	115.2	N436 A437 V438	G434-N436 VanDerWaalsContact C-N 3.34Å; G434-N436 PolarHBondContact O-N 3.4Å; G434-A437 WeakPolarHBondContact O-CB 3.44Å; G434-A437 PolarHBondContact O-N 3.38Å; G434-A437 VanDerWaalsContact O-N 3.12Å; G434-V438 PolarHBondContact O-N 2.81Å; G434-V438 VanDerWaalsContact O-N 3.16Å
435	I	97.7	Very high	96.2	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-56.1	-47.7	176.6	-68.3	176.3	0	0	0	111.3	N427 A432 A437 V438 I439 I517 A548	N427-I435 VanDerWaalsContact ND2-CG2 3.32Å; N427-I435 WeakPolarHBondContact ND2-CG2 3.4Å; A432-I435 HydrophobicContact CB-CD1 4.07Å; A432-I435 HydrophobicContact CB-CG1 4.43Å; A432-I435 WeakPolarHBondContact O-CD1 3.39Å; A432-I435 VanDerWaalsContact O-CG1 3.27Å; A432-I435 WeakPolarHBondContact O-CG1 3.29Å; I435-A437 VanDerWaalsContact C-N 3.26Å; I435-A437 PolarHBondContact O-N 3.35Å; I435-V438 WeakPolarHBondContact O-CB 3.32Å; I435-V438 PolarHBondContact O-N 3.38Å; I435-V438 VanDerWaalsContact O-N 3.1Å; I435-I439 HydrophobicContact CG2-CD1 3.85Å; I435-I439 HydrophobicContact CG2-CG1 4.47Å; I435-I439 WeakPolarHBondContact O-CG1 3.36Å; I435-I439 PolarHBondContact O-N 3.43Å; I435-I517 HydrophobicContact CB-CG2 4.37Å; I435-I517 HydrophobicContact CG1-CG2 3.9Å; I435-I517 HydrophobicContact CG2-CG2 4.12Å; I435-A548 HydrophobicContact CD1-CB 3.96Å; I435-A548 HydrophobicContact CG1-CB 3.62Å
436	N	97.3	Very high	95.9	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.9	-30.6	-179.4	-62.6	-37.8	0	0	0	112.6	G434 R440 W479 M482 G483 G484 M486	G434-N436 VanDerWaalsContact C-N 3.34Å; G434-N436 PolarHBondContact O-N 3.4Å; N436-R440 WeakPolarHBondContact O-CB 3.38Å; N436-R440 PolarHBondContact O-N 2.9Å; N436-W479 HydrophobicContact CB-CB 4.09Å; N436-W479 HydrophobicContact CB-CE3 4.39Å; N436-W479 WeakPolarHBondContact CB-O 3.44Å; N436-M482 PolarHBondContact ND2-O 3.39Å; N436-G483 PolarHBondContact ND2-O 2.94Å; N436-G484 PolarHBondContact ND2-O 2.7Å; N436-M486 WeakPolarHBondContact OD1-CG 3.24Å; N436-M486 PolarHBondContact OD1-N 2.78Å
437	A	96.1	Very high	95.6	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-66.4	-39.5	173.5	0	0	0	0	0	111.6	G434 I435 G441 V480	G434-A437 WeakPolarHBondContact O-CB 3.44Å; G434-A437 PolarHBondContact O-N 3.38Å; G434-A437 VanDerWaalsContact O-N 3.12Å; I435-A437 VanDerWaalsContact C-N 3.26Å; I435-A437 PolarHBondContact O-N 3.35Å; A437-G441 PolarHBondContact O-N 2.85Å; A437-V480 HydrophobicContact CB-CB 4.25Å; A437-V480 HydrophobicContact CB-CG1 4.18Å; A437-V480 HydrophobicContact CB-CG2 3.86Å
438	V	97.3	Very high	95.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.8	-54.2	173.5	-179.2	0	0	0	0	110.5	G434 I435 R440 G441 F442 L515 I517 V546 L561 G697 A701	G434-V438 PolarHBondContact O-N 2.81Å; G434-V438 VanDerWaalsContact O-N 3.16Å; I435-V438 WeakPolarHBondContact O-CB 3.32Å; I435-V438 PolarHBondContact O-N 3.38Å; I435-V438 VanDerWaalsContact O-N 3.1Å; V438-R440 VanDerWaalsContact C-N 3.28Å; V438-R440 PolarHBondContact O-N 3.06Å; V438-G441 PolarHBondContact O-N 2.82Å; V438-F442 WeakPolarHBondContact O-CB 3.39Å; V438-F442 PolarHBondContact O-N 2.93Å; V438-L515 HydrophobicContact CG1-CD2 4.07Å; V438-I517 HydrophobicContact CB-CD1 3.89Å; V438-I517 HydrophobicContact CG1-CD1 3.56Å; V438-I517 HydrophobicContact CG1-CG1 4.1Å; V438-V546 HydrophobicContact CG1-CG2 4.26Å; V438-V546 HydrophobicContact CG2-CG1 4.03Å; V438-L561 HydrophobicContact CG2-CD1 3.26Å; V438-G697 WeakPolarHBondContact CG2-O 3.27Å; V438-A701 HydrophobicContact CG1-CB 4.31Å; V438-A701 VanDerWaalsContact O-CB 3.3Å; V438-A701 WeakPolarHBondContact O-CB 3.44Å
439	I	97.4	Very high	94.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.6	-46.5	-176.1	-63.5	164.6	0	0	0	110.3	I425 N427 I435 T443 I471 V476 W479 L487 I517	I425-I439 HydrophobicContact CD1-CG2 4.37Å; I425-I439 HydrophobicContact CG2-CG1 4.19Å; N427-I439 WeakPolarHBondContact ND2-CD1 3.35Å; I435-I439 HydrophobicContact CG2-CD1 3.85Å; I435-I439 HydrophobicContact CG2-CG1 4.47Å; I435-I439 WeakPolarHBondContact O-CG1 3.36Å; I435-I439 PolarHBondContact O-N 3.43Å; I439-T443 WeakPolarHBondContact O-CB 3.17Å; I439-T443 PolarHBondContact O-N 2.74Å; I439-T443 PolarHBondContact O-OG1 2.97Å; I439-I471 HydrophobicContact CG2-CD1 4.16Å; I439-V476 HydrophobicContact CG2-CG1 4.28Å; I439-W479 HydrophobicContact CB-CE3 4.33Å; I439-W479 HydrophobicContact CB-CZ3 4.3Å; I439-W479 HydrophobicContact CD1-CZ3 4.27Å; I439-W479 HydrophobicContact CG2-CE3 4.13Å; I439-W479 HydrophobicContact CG2-CZ3 3.74Å; I439-L487 HydrophobicContact CD1-CD1 3.86Å; I439-L487 HydrophobicContact CD1-CG 4.14Å; I439-L487 HydrophobicContact CG1-CD1 4.43Å; I439-L487 HydrophobicContact CG2-CD1 4.36Å; I439-I517 HydrophobicContact CD1-CD1 4.46Å; I439-I517 HydrophobicContact CG1-CD1 3.62Å
440	R	95.1	Very high	94.3	Very high	22 Å²	22	14.7 Å²	14.7	8%	0.083	9%	0.09	C	C	.	.	H	α-helix	trans	-62.1	-53.9	178.2	179.4	-146	172.2	-103.5	21.5	112.1	E238 N436 V438 F442 T443 R444 V476 W479 V480	E238-R440 VanDerWaalsContact CD-CD 3.45Å; E238-R440 VanDerWaalsContact CG-NH2 3.32Å; E238-R440 WeakPolarHBondContact OE1-CD 3.1Å; E238-R440 IonicContact OE1-CZ 3.06Å; E238-R440 IonicContact OE1-NE 2.71Å; E238-R440 PolarHBondContact OE1-NE 2.91Å; E238-R440 IonicContact OE1-NH2 2.71Å; E238-R440 IonicContact OE2-CZ 2.93Å; E238-R440 IonicContact OE2-NE 2.7Å; E238-R440 PolarHBondContact OE2-NE 2.98Å; E238-R440 IonicContact OE2-NH2 2.61Å; E238-R440 PolarHBondContact OE2-NH2 2.97Å; N436-R440 WeakPolarHBondContact O-CB 3.38Å; N436-R440 PolarHBondContact O-N 2.9Å; V438-R440 VanDerWaalsContact C-N 3.28Å; V438-R440 PolarHBondContact O-N 3.06Å; R440-F442 PolarHBondContact O-N 2.73Å; R440-T443 PolarHBondContact O-N 2.77Å; R440-R444 PolarHBondContact O-N 3Å; R440-V476 HydrophobicContact CB-CB 3.89Å; R440-V476 HydrophobicContact CB-CG2 4.19Å; R440-V476 HydrophobicContact CG-CB 3.86Å; R440-V476 HydrophobicContact CG-CG2 3.71Å; R440-V476 WeakPolarHBondContact CG-O 3.39Å; R440-W479 HydrophobicContact CB-CB 4.21Å; R440-V480 VanDerWaalsContact CD-CG2 3.47Å
441	G	93.4	Very high	94.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57	-41	-177.5	0	0	0	0	0	111.4	A437 V438 L445	A437-G441 PolarHBondContact O-N 2.85Å; V438-G441 PolarHBondContact O-N 2.82Å; G441-L445 WeakPolarHBondContact O-CB 3.13Å; G441-L445 WeakPolarHBondContact O-CG 3.32Å; G441-L445 PolarHBondContact O-N 2.92Å
442	F	95.8	Very high	94.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-70.1	-46.7	-178.6	-173.8	-84.9	0	0	0	110.7	I423 I425 V438 R440 R444 L445 G446 L515 A701 A704 I705 L708	I423-F442 HydrophobicContact CB-CE1 4.47Å; I423-F442 HydrophobicContact CG2-CE1 3.83Å; I423-F442 HydrophobicContact CG2-CZ 3.76Å; I425-F442 HydrophobicContact CD1-CD1 3.42Å; I425-F442 VanDerWaalsContact CD1-CD1 3.42Å; I425-F442 HydrophobicContact CD1-CE1 3.95Å; I425-F442 HydrophobicContact CD1-CG 4.27Å; I425-F442 HydrophobicContact CG1-CD1 3.96Å; I425-F442 HydrophobicContact CG1-CE1 3.99Å; V438-F442 WeakPolarHBondContact O-CB 3.39Å; V438-F442 PolarHBondContact O-N 2.93Å; R440-F442 PolarHBondContact O-N 2.73Å; F442-R444 PolarHBondContact O-N 3.27Å; F442-L445 PolarHBondContact O-N 3.11Å; F442-G446 PolarHBondContact O-N 2.9Å; F442-L515 HydrophobicContact CB-CD2 4.14Å; F442-L515 HydrophobicContact CD1-CD2 4.14Å; F442-L515 HydrophobicContact CD2-CD2 3.56Å; F442-L515 HydrophobicContact CE1-CD2 4.42Å; F442-L515 HydrophobicContact CE2-CB 4.29Å; F442-L515 HydrophobicContact CE2-CD2 3.88Å; F442-L515 HydrophobicContact CE2-CG 4.48Å; F442-L515 HydrophobicContact CG-CD2 3.67Å; F442-L515 HydrophobicContact CZ-CB 4.13Å; F442-L515 HydrophobicContact CZ-CD2 4.29Å; F442-A701 HydrophobicContact CB-CB 4.21Å; F442-A704 HydrophobicContact CD2-CB 3.93Å; F442-A704 HydrophobicContact CE2-CB 3.96Å; F442-I705 HydrophobicContact CD2-CB 3.72Å; F442-I705 HydrophobicContact CD2-CD1 4.4Å; F442-I705 HydrophobicContact CE1-CD1 3.99Å; F442-I705 HydrophobicContact CE2-CB 3.65Å; F442-I705 HydrophobicContact CE2-CD1 3.8Å; F442-I705 HydrophobicContact CE2-CG1 4.3Å; F442-I705 HydrophobicContact CG-CB 4.47Å; F442-I705 HydrophobicContact CZ-CB 4.34Å; F442-I705 HydrophobicContact CZ-CD1 3.57Å; F442-L708 HydrophobicContact CE2-CD1 3.75Å; F442-L708 HydrophobicContact CZ-CD1 3.58Å
443	T	95.1	Very high	94.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-50.2	-179.2	-61.1	0	0	0	0	111	I439 R440 L445 G446 I447 V453 I471 V476	I439-T443 WeakPolarHBondContact O-CB 3.17Å; I439-T443 PolarHBondContact O-N 2.74Å; I439-T443 PolarHBondContact O-OG1 2.97Å; R440-T443 PolarHBondContact O-N 2.77Å; T443-L445 PolarHBondContact O-N 3.32Å; T443-G446 PolarHBondContact O-N 3.07Å; T443-I447 HydrophobicContact CG2-CD1 3.83Å; T443-I447 VanDerWaalsContact O-CG1 3.29Å; T443-I447 WeakPolarHBondContact O-CG1 3.38Å; T443-I447 PolarHBondContact O-N 2.84Å; T443-V453 HydrophobicContact CG2-CB 4.22Å; T443-V453 HydrophobicContact CG2-CG1 4.21Å; T443-V453 HydrophobicContact CG2-CG2 4.35Å; T443-I471 HydrophobicContact CG2-CB 4.12Å; T443-I471 HydrophobicContact CG2-CG2 3.78Å; T443-V476 HydrophobicContact CG2-CG1 4.31Å; T443-V476 HydrophobicContact CG2-CG2 4.35Å
444	R	92.1	Very high	94.2	Very high	21 Å²	21	15.2 Å²	15.2	8%	0.079	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-43.7	-178.6	-70.9	-169.8	176.9	-176	5	112.3	I407 R440 F442 T448 W473 V476	I407-R444 HydrophobicContact CG2-CB 4.48Å; R440-R444 PolarHBondContact O-N 3Å; F442-R444 PolarHBondContact O-N 3.27Å; R444-T448 PolarHBondContact O-N 3.13Å; R444-T448 VanDerWaalsContact O-N 3.16Å; R444-T448 PolarHBondContact O-OG1 2.86Å; R444-W473 HydrophobicContact CB-CE3 4.04Å; R444-W473 HydrophobicContact CB-CH2 4.2Å; R444-W473 HydrophobicContact CB-CZ3 3.76Å; R444-W473 HydrophobicContact CG-CD2 4.09Å; R444-W473 HydrophobicContact CG-CE3 3.86Å; R444-W473 HydrophobicContact CG-CH2 4.28Å; R444-W473 HydrophobicContact CG-CZ2 4.45Å; R444-W473 HydrophobicContact CG-CZ3 3.97Å; R444-V476 HydrophobicContact CG-CG2 4.21Å
445	L	91.9	Very high	94.3	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-67	-39.9	176.6	-78	169.2	0	0	0	112.4	K403 L404 I407 G441 F442 T443 T448 K449 I705	K403-L445 HydrophobicContact CG-CD2 4.47Å; L404-L445 HydrophobicContact CD2-CD1 4.04Å; L404-L445 HydrophobicContact CD2-CG 4.38Å; I407-L445 HydrophobicContact CD1-CD2 3.31Å; I407-L445 HydrophobicContact CD1-CG 3.61Å; I407-L445 HydrophobicContact CG1-CD2 3.92Å; G441-L445 WeakPolarHBondContact O-CB 3.13Å; G441-L445 WeakPolarHBondContact O-CG 3.32Å; G441-L445 PolarHBondContact O-N 2.92Å; F442-L445 PolarHBondContact O-N 3.11Å; T443-L445 PolarHBondContact O-N 3.32Å; L445-T448 WeakPolarHBondContact CA-OG1 3.45Å; L445-T448 PolarHBondContact O-N 2.75Å; L445-T448 PolarHBondContact O-OG1 3.2Å; L445-K449 PolarHBondContact O-N 2.94Å; L445-K449 VanDerWaalsContact O-N 3.09Å; L445-I705 HydrophobicContact CB-CB 4.43Å; L445-I705 HydrophobicContact CB-CG1 4.31Å; L445-I705 HydrophobicContact CB-CG2 3.63Å; L445-I705 HydrophobicContact CD1-CG2 3.73Å; L445-I705 HydrophobicContact CG-CG2 4.28Å
446	G	93.1	Very high	94.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.8	-47.1	177.1	0	0	0	0	0	111.8	F442 T443 T448 K449 G450 Y451	F442-G446 PolarHBondContact O-N 2.9Å; T443-G446 PolarHBondContact O-N 3.07Å; G446-T448 VanDerWaalsContact C-N 3.32Å; G446-T448 PolarHBondContact O-N 2.89Å; G446-K449 CarbonylContact O-C 3.52Å; G446-K449 PolarHBondContact O-N 3Å; G446-K449 VanDerWaalsContact O-N 3.08Å; G446-G450 PolarHBondContact O-N 3.46Å; G446-Y451 PolarHBondContact O-N 3.34Å
447	I	91.8	Very high	94.3	Very high	18 Å²	18	17 Å²	17	9%	0.092	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-42.8	175.4	-67.7	167.9	0	0	0	110.9	P410 T443 K449 G450 V453 W473	P410-I447 HydrophobicContact CG-CG2 4.22Å; T443-I447 HydrophobicContact CG2-CD1 3.83Å; T443-I447 VanDerWaalsContact O-CG1 3.29Å; T443-I447 WeakPolarHBondContact O-CG1 3.38Å; T443-I447 PolarHBondContact O-N 2.84Å; I447-K449 PolarHBondContact O-N 3.37Å; I447-G450 PolarHBondContact O-N 2.99Å; I447-V453 HydrophobicContact CG1-CG2 4.37Å; I447-W473 HydrophobicContact CD1-CB 4.22Å
448	T	88.3	Confident	94.3	Very high	52 Å²	52	19.9 Å²	19.9	32%	0.319	10%	0.104	S	C	.	.	H	α-helix	trans	-66	-24.5	177.3	52.1	0	0	0	0	114.8	I407 E408 P410 R444 L445 G446 G450 W473	I407-T448 HydrophobicContact CB-CG2 4.47Å; I407-T448 HydrophobicContact CG2-CG2 3.26Å; E408-T448 VanDerWaalsContact O-CG2 3.26Å; E408-T448 WeakPolarHBondContact O-CG2 3.3Å; P410-T448 HydrophobicContact CG-CG2 4.31Å; R444-T448 PolarHBondContact O-N 3.13Å; R444-T448 VanDerWaalsContact O-N 3.16Å; R444-T448 PolarHBondContact O-OG1 2.86Å; L445-T448 WeakPolarHBondContact CA-OG1 3.45Å; L445-T448 PolarHBondContact O-N 2.75Å; L445-T448 PolarHBondContact O-OG1 3.2Å; G446-T448 VanDerWaalsContact C-N 3.32Å; G446-T448 PolarHBondContact O-N 2.89Å; T448-G450 VanDerWaalsContact C-N 3.28Å; T448-W473 HydrophobicContact CG2-CZ3 4.11Å
449	K	88.4	Confident	94.3	Very high	76 Å²	76	19.9 Å²	19.9	33%	0.33	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.2	173.3	-71.6	172.8	171.8	-73.3	0	112.7	L445 G446 I447 Y451 I705 D706 D709	L445-K449 PolarHBondContact O-N 2.94Å; L445-K449 VanDerWaalsContact O-N 3.09Å; G446-K449 CarbonylContact O-C 3.52Å; G446-K449 PolarHBondContact O-N 3Å; G446-K449 VanDerWaalsContact O-N 3.08Å; I447-K449 PolarHBondContact O-N 3.37Å; K449-Y451 HydrophobicContact CB-CD2 3.73Å; K449-Y451 HydrophobicContact CB-CE2 3.71Å; K449-Y451 HydrophobicContact CD-CE2 4.36Å; K449-I705 HydrophobicContact CD-CG1 3.9Å; K449-D706 WeakPolarHBondContact CE-OD1 3.27Å; K449-D706 IonicContact NZ-OD1 2.75Å; K449-D709 HydrophobicContact CD-CB 3.95Å; K449-D709 IonicContact NZ-OD2 2.7Å; K449-D709 PolarHBondContact NZ-OD2 2.89Å
450	G	88.9	Confident	94.3	Very high	42 Å²	42	19.9 Å²	19.9	43%	0.433	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	4.3	177.6	0	0	0	0	0	114.9	G446 I447 T448	G446-G450 PolarHBondContact O-N 3.46Å; I447-G450 PolarHBondContact O-N 2.99Å; T448-G450 VanDerWaalsContact C-N 3.28Å
451	Y	92.8	Very high	94.4	Very high	12 Å²	12	19.7 Å²	19.7	5%	0.047	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-80.5	143.6	179.2	-61.6	-70.9	0	0	0	112.2	L421 I423 G446 K449 I705 D709 I712	L421-Y451 HydrophobicContact CB-CD1 3.87Å; L421-Y451 HydrophobicContact CB-CE1 3.99Å; L421-Y451 HydrophobicContact CD1-CE1 4.15Å; I423-Y451 HydrophobicContact CD1-CD1 3.67Å; I423-Y451 HydrophobicContact CD1-CD2 3.71Å; I423-Y451 HydrophobicContact CD1-CE1 4.02Å; I423-Y451 HydrophobicContact CD1-CE2 4.07Å; I423-Y451 HydrophobicContact CD1-CG 3.5Å; I423-Y451 VanDerWaalsContact CD1-CG 3.5Å; I423-Y451 HydrophobicContact CG1-CD1 3.86Å; I423-Y451 HydrophobicContact CG1-CE1 4.44Å; I423-Y451 HydrophobicContact CG1-CG 4Å; G446-Y451 PolarHBondContact O-N 3.34Å; K449-Y451 HydrophobicContact CB-CD2 3.73Å; K449-Y451 HydrophobicContact CB-CE2 3.71Å; K449-Y451 HydrophobicContact CD-CE2 4.36Å; Y451-I705 HydrophobicContact CD2-CD1 4.26Å; Y451-D709 HydrophobicContact CE2-CB 4.16Å; Y451-D709 VanDerWaalsContact CE2-OD1 3.3Å; Y451-D709 WeakPolarHBondContact CE2-OD1 3.16Å; Y451-D709 PolarHBondContact OH-OD1 3.43Å; Y451-I712 HydrophobicContact CE1-CD1 4.02Å; Y451-I712 HydrophobicContact CE1-CG2 4.08Å
452	K	95	Very high	94.5	Very high	57 Å²	57	19.8 Å²	19.8	25%	0.248	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.8	161.9	-71	-174.3	176.4	179.6	0	109.8	N420 L421 R422 I423	N420-K452 WeakPolarHBondContact OD1-CD 3.36Å; N420-K452 WeakPolarHBondContact OD1-CE 3.32Å; N420-K452 PolarHBondContact OD1-NZ 3.2Å; L421-K452 PolarHBondContact O-N 3.3Å; R422-K452 CarbonylContact C-O 3.59Å; R422-K452 VanDerWaalsContact CA-O 3.27Å; R422-K452 WeakPolarHBondContact CA-O 3.33Å; R422-K452 HydrophobicContact CG-CB 4.07Å; I423-K452 PolarHBondContact N-O 2.94Å
453	V	96.5	Very high	94.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.4	-175.2	-179.6	0	0	0	0	108.9	I423 I425 T443 I447 E470 I471	I423-V453 WeakPolarHBondContact O-CA 3.41Å; I425-V453 HydrophobicContact CD1-CG1 3.38Å; I425-V453 HydrophobicContact CG1-CG1 3.93Å; T443-V453 HydrophobicContact CG2-CB 4.22Å; T443-V453 HydrophobicContact CG2-CG1 4.21Å; T443-V453 HydrophobicContact CG2-CG2 4.35Å; I447-V453 HydrophobicContact CG1-CG2 4.37Å; V453-E470 CarbonylContact O-C 3.56Å; V453-E470 WeakPolarHBondContact O-CA 3.39Å; V453-I471 HydrophobicContact CG1-CB 4.44Å; V453-I471 HydrophobicContact CG1-CD1 4.4Å; V453-I471 PolarHBondContact O-N 3.47Å
454	I	98.1	Very high	94.7	Very high	11 Å²	11	21.7 Å²	21.7	6%	0.056	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.4	-178.2	-51.9	-57.6	0	0	0	108.9	R422 I423 G424 I425 A468 S469 E470 L509 L511	R422-I454 HydrophobicContact CB-CG1 4.18Å; I423-I454 PolarHBondContact O-N 3.23Å; G424-I454 CarbonylContact C-O 3.59Å; G424-I454 WeakPolarHBondContact CA-O 3.08Å; I425-I454 PolarHBondContact N-O 2.78Å; I454-A468 HydrophobicContact CG2-CB 3.98Å; I454-S469 CarbonylContact C-O 3.59Å; I454-E470 HydrophobicContact CD1-CB 4.15Å; I454-E470 HydrophobicContact CD1-CG 4.3Å; I454-L509 HydrophobicContact CG2-CD1 4.37Å; I454-L511 HydrophobicContact CB-CD2 4.39Å; I454-L511 HydrophobicContact CG1-CD2 4.35Å
455	G	98	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.3	171.9	0	0	0	0	0	110.3	A468 S469	G455-A468 CarbonylContact O-C 3.6Å; G455-A468 VanDerWaalsContact O-CA 3.23Å; G455-A468 WeakPolarHBondContact O-CA 3.32Å; G455-S469 PolarHBondContact N-O 3.21Å; G455-S469 PolarHBondContact O-N 2.87Å
456	I	98.3	Very high	95	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	-93	111	173.2	-62	170.8	0	0	0	107	I425 V426 G459 L463 A468 L514	I425-I456 WeakPolarHBondContact O-CB 3.45Å; I425-I456 PolarHBondContact O-N 3.2Å; V426-I456 HydrophobicContact CB-CB 3.9Å; V426-I456 HydrophobicContact CB-CD1 4.1Å; V426-I456 HydrophobicContact CB-CG2 4.19Å; V426-I456 HydrophobicContact CG2-CB 3.99Å; V426-I456 HydrophobicContact CG2-CG2 3.76Å; I456-G459 WeakPolarHBondContact CG2-O 3.19Å; I456-L463 HydrophobicContact CD1-CD1 3.98Å; I456-L463 HydrophobicContact CD1-CD2 4.39Å; I456-L463 HydrophobicContact CG1-CD1 4.09Å; I456-L463 HydrophobicContact CG2-CB 3.64Å; I456-L463 HydrophobicContact CG2-CD1 4.19Å; I456-L463 HydrophobicContact CG2-CG 4.4Å; I456-A468 HydrophobicContact CG1-CB 4.41Å; I456-L514 HydrophobicContact CD1-CD1 4.17Å
457	H	97.3	Very high	95.2	Very high	41 Å²	41	34 Å²	34	19%	0.19	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	149.5	-176.4	-60.3	-78.3	0	0	0	110.7	G459 G462 D467 S469 L487	H457-G459 PolarHBondContact O-N 2.85Å; H457-G459 VanDerWaalsContact O-N 3.11Å; H457-G462 VanDerWaalsContact O-CA 3.26Å; H457-G462 WeakPolarHBondContact O-CA 3.47Å; H457-D467 HydrophobicContact CB-CB 4.4Å; H457-D467 IonicContact CD2-OD1 2.95Å; H457-D467 PolarHBondContact CD2-OD1 3.33Å; H457-D467 IonicContact CG-OD1 3.16Å; H457-D467 PolarHBondContact N-O 2.96Å; H457-S469 PolarHBondContact NE2-OG 2.84Å; H457-L487 CarbonylContact C-O 3.46Å; H457-L487 WeakPolarHBondContact CA-O 2.99Å; H457-L487 VanDerWaalsContact CE1-CD2 3.49Å; H457-L487 WeakPolarHBondContact CE1-CD2 3.12Å
458	E	96.7	Very high	95.5	Very high	60 Å²	60	34.4 Å²	34.4	28%	0.28	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	33.7	171.9	-60.3	-66.1	141.5	0	0	114.1	G462 L487 G488 R490	E458-G462 PolarHBondContact O-N 3.02Å; E458-L487 PolarHBondContact N-O 3.3Å; E458-G488 WeakPolarHBondContact OE1-CA 3.41Å; E458-R490 HydrophobicContact CB-CG 4.35Å; E458-R490 WeakPolarHBondContact O-CG 3.38Å; E458-R490 IonicContact OE2-CZ 3.5Å; E458-R490 IonicContact OE2-NE 3.48Å; E458-R490 PolarHBondContact OE2-NE 3.35Å; E458-R490 IonicContact OE2-NH2 2.69Å; E458-R490 PolarHBondContact OE2-NH2 3.11Å
459	G	96.5	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	67.1	-159.5	178	0	0	0	0	0	114	N427 I456 H457 S461 G462 L463	N427-G459 WeakPolarHBondContact O-CA 3.43Å; I456-G459 WeakPolarHBondContact CG2-O 3.19Å; H457-G459 PolarHBondContact O-N 2.85Å; H457-G459 VanDerWaalsContact O-N 3.11Å; G459-S461 PolarHBondContact O-N 3.38Å; G459-G462 PolarHBondContact O-N 3.17Å; G459-L463 PolarHBondContact O-N 2.81Å
460	F	97.6	Very high	96.3	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-23.8	177.4	-71.1	-70.1	0	0	0	113.3	V426 V428 L463 V464 P494 L497 V502 F506 I516 C525 L529	V426-F460 HydrophobicContact CG1-CE2 4.46Å; V426-F460 HydrophobicContact CG1-CZ 4.07Å; V428-F460 HydrophobicContact CG2-CD2 3.93Å; V428-F460 HydrophobicContact CG2-CE2 3.74Å; F460-L463 HydrophobicContact CD1-CD2 3.91Å; F460-L463 HydrophobicContact CE1-CD2 4.35Å; F460-L463 WeakPolarHBondContact O-CB 3.41Å; F460-L463 PolarHBondContact O-N 3.45Å; F460-V464 WeakPolarHBondContact O-CG2 3.3Å; F460-V464 PolarHBondContact O-N 3.29Å; F460-P494 HydrophobicContact CD1-CG 4.42Å; F460-P494 HydrophobicContact CD2-CG 4.02Å; F460-P494 HydrophobicContact CE1-CG 4.43Å; F460-P494 HydrophobicContact CE2-CG 4.03Å; F460-P494 HydrophobicContact CG-CG 4.24Å; F460-P494 HydrophobicContact CZ-CG 4.25Å; F460-L497 VanDerWaalsContact C-CD1 3.41Å; F460-L497 HydrophobicContact CB-CD1 3.67Å; F460-V502 HydrophobicContact CD1-CG1 4Å; F460-V502 HydrophobicContact CE1-CG1 4.2Å; F460-F506 HydrophobicContact CE1-CE2 4.24Å; F460-F506 HydrophobicContact CE1-CZ 4.3Å; F460-I516 HydrophobicContact CE2-CD1 4.3Å; F460-I516 HydrophobicContact CZ-CD1 3.87Å; F460-C525 HydrophobicContact CD2-CB 4.35Å; F460-C525 HydrophobicContact CE2-CB 3.63Å; F460-C525 HydrophobicContact CZ-CB 4.44Å; F460-L529 HydrophobicContact CE1-CD1 4.35Å; F460-L529 HydrophobicContact CZ-CD1 3.87Å
461	S	96.7	Very high	96.6	Very high	17 Å²	17	32.8 Å²	32.8	12%	0.119	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-44.3	174.6	-168.4	0	0	0	0	111.5	G459 K465 D492	G459-S461 PolarHBondContact O-N 3.38Å; S461-K465 WeakPolarHBondContact O-CG 3.47Å; S461-K465 PolarHBondContact O-N 3.43Å; S461-D492 WeakPolarHBondContact CB-OD2 3.43Å
462	G	96.6	Very high	96.5	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-68	-38.4	173.5	0	0	0	0	0	112.3	H457 E458 G459 V464 K465 G466 D467	H457-G462 VanDerWaalsContact O-CA 3.26Å; H457-G462 WeakPolarHBondContact O-CA 3.47Å; E458-G462 PolarHBondContact O-N 3.02Å; G459-G462 PolarHBondContact O-N 3.17Å; G462-V464 PolarHBondContact O-N 3.47Å; G462-K465 CarbonylContact O-C 3.47Å; G462-K465 WeakPolarHBondContact O-CA 3.49Å; G462-K465 WeakPolarHBondContact O-CB 3.06Å; G462-K465 PolarHBondContact O-N 2.86Å; G462-G466 PolarHBondContact O-N 3.29Å; G462-D467 WeakPolarHBondContact O-CB 3.45Å; G462-D467 PolarHBondContact O-N 3.34Å
463	L	97.3	Very high	96.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-53.9	-51.2	174.4	-176.3	64.3	0	0	0	112.5	I456 G459 F460 K465 G466 V502 K505 F506 L509	I456-L463 HydrophobicContact CD1-CD1 3.98Å; I456-L463 HydrophobicContact CD1-CD2 4.39Å; I456-L463 HydrophobicContact CG1-CD1 4.09Å; I456-L463 HydrophobicContact CG2-CB 3.64Å; I456-L463 HydrophobicContact CG2-CD1 4.19Å; I456-L463 HydrophobicContact CG2-CG 4.4Å; G459-L463 PolarHBondContact O-N 2.81Å; F460-L463 HydrophobicContact CD1-CD2 3.91Å; F460-L463 HydrophobicContact CE1-CD2 4.35Å; F460-L463 WeakPolarHBondContact O-CB 3.41Å; F460-L463 PolarHBondContact O-N 3.45Å; L463-K465 PolarHBondContact O-N 3.38Å; L463-G466 PolarHBondContact O-N 3.31Å; L463-V502 HydrophobicContact CD2-CG1 4.05Å; L463-K505 HydrophobicContact CD1-CB 3.93Å; L463-K505 HydrophobicContact CD2-CB 4.25Å; L463-K505 HydrophobicContact CG-CB 3.8Å; L463-K505 HydrophobicContact CG-CG 4.35Å; L463-K505 WeakPolarHBondContact O-CG 3.49Å; L463-F506 HydrophobicContact CD2-CD2 3.86Å; L463-F506 HydrophobicContact CD2-CE2 3.54Å; L463-L509 HydrophobicContact CD1-CD1 3.54Å
464	V	96.9	Very high	95.9	Very high	38 Å²	38	36.2 Å²	36.2	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-32	-179.6	172.1	0	0	0	0	111.2	F460 G462 G466 L497 K501 V502	F460-V464 WeakPolarHBondContact O-CG2 3.3Å; F460-V464 PolarHBondContact O-N 3.29Å; G462-V464 PolarHBondContact O-N 3.47Å; V464-G466 VanDerWaalsContact C-N 3.26Å; V464-G466 PolarHBondContact O-N 3.43Å; V464-L497 HydrophobicContact CG2-CB 4.36Å; V464-L497 HydrophobicContact CG2-CD1 4.45Å; V464-K501 HydrophobicContact CG1-CB 4.1Å; V464-K501 HydrophobicContact CG1-CD 4.05Å; V464-K501 HydrophobicContact CG2-CB 4.18Å; V464-V502 HydrophobicContact CG2-CG2 3.84Å
465	K	96.3	Very high	95.6	Very high	164 Å²	164	39.6 Å²	39.6	71%	0.713	22%	0.222	S	C	*	.	H	α-helix	trans	-78.7	-5.5	174.7	-65.6	171.2	-170.2	171.1	0	113.8	S461 G462 L463	S461-K465 WeakPolarHBondContact O-CG 3.47Å; S461-K465 PolarHBondContact O-N 3.43Å; G462-K465 CarbonylContact O-C 3.47Å; G462-K465 WeakPolarHBondContact O-CA 3.49Å; G462-K465 WeakPolarHBondContact O-CB 3.06Å; G462-K465 PolarHBondContact O-N 2.86Å; L463-K465 PolarHBondContact O-N 3.38Å
466	G	94.7	Very high	95.3	Very high	40 Å²	40	39.6 Å²	39.6	41%	0.412	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	17.7	-177.7	0	0	0	0	0	114.3	G462 L463 V464 A468	G462-G466 PolarHBondContact O-N 3.29Å; L463-G466 PolarHBondContact O-N 3.31Å; V464-G466 VanDerWaalsContact C-N 3.26Å; V464-G466 PolarHBondContact O-N 3.43Å; G466-A468 VanDerWaalsContact C-N 3.34Å; G466-A468 PolarHBondContact O-N 3.45Å; G466-A468 VanDerWaalsContact O-N 3.12Å
467	D	96.7	Very high	94.8	Very high	79 Å²	79	43.1 Å²	43.1	42%	0.422	24%	0.236	S	C	.	.			trans	-85.7	76	178.4	-164.3	8.5	0	0	0	110.8	H457 G462	H457-D467 HydrophobicContact CB-CB 4.4Å; H457-D467 IonicContact CD2-OD1 2.95Å; H457-D467 PolarHBondContact CD2-OD1 3.33Å; H457-D467 IonicContact CG-OD1 3.16Å; H457-D467 PolarHBondContact N-O 2.96Å; G462-D467 WeakPolarHBondContact O-CB 3.45Å; G462-D467 PolarHBondContact O-N 3.34Å
468	A	97.2	Very high	94.4	Very high	27 Å²	27	43.1 Å²	43.1	22%	0.223	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	134.1	176.3	0	0	0	0	0	110.3	I454 G455 I456 G466 L509	I454-A468 HydrophobicContact CG2-CB 3.98Å; G455-A468 CarbonylContact O-C 3.6Å; G455-A468 VanDerWaalsContact O-CA 3.23Å; G455-A468 WeakPolarHBondContact O-CA 3.32Å; I456-A468 HydrophobicContact CG1-CB 4.41Å; G466-A468 VanDerWaalsContact C-N 3.34Å; G466-A468 PolarHBondContact O-N 3.45Å; G466-A468 VanDerWaalsContact O-N 3.12Å; A468-L509 HydrophobicContact CB-CD1 3.9Å; A468-L509 HydrophobicContact CB-CD2 4.29Å
469	S	96.7	Very high	94.2	Very high	55 Å²	55	41.5 Å²	41.5	39%	0.385	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	151.8	-177.6	69.1	0	0	0	0	112.2	I454 G455 H457 I471	I454-S469 CarbonylContact C-O 3.59Å; G455-S469 PolarHBondContact N-O 3.21Å; G455-S469 PolarHBondContact O-N 2.87Å; H457-S469 PolarHBondContact NE2-OG 2.84Å; S469-I471 PolarHBondContact O-N 2.81Å
470	E	96.6	Very high	94	Very high	75 Å²	75	41.5 Å²	41.5	35%	0.35	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.2	172.8	-166.2	177.2	147.1	0	0	109.9	V453 I454 Q472	V453-E470 CarbonylContact O-C 3.56Å; V453-E470 WeakPolarHBondContact O-CA 3.39Å; I454-E470 HydrophobicContact CD1-CB 4.15Å; I454-E470 HydrophobicContact CD1-CG 4.3Å; E470-Q472 VanDerWaalsContact CG-NE2 3.34Å; E470-Q472 PolarHBondContact OE1-NE2 2.91Å
471	I	95.9	Very high	93.8	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.036	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-93.5	117.8	175.4	-51.8	179	0	0	0	108.3	I439 T443 V453 S469 D475 V476 L487	I439-I471 HydrophobicContact CG2-CD1 4.16Å; T443-I471 HydrophobicContact CG2-CB 4.12Å; T443-I471 HydrophobicContact CG2-CG2 3.78Å; V453-I471 HydrophobicContact CG1-CB 4.44Å; V453-I471 HydrophobicContact CG1-CD1 4.4Å; V453-I471 PolarHBondContact O-N 3.47Å; S469-I471 PolarHBondContact O-N 2.81Å; I471-D475 HydrophobicContact CG2-CB 4.05Å; I471-V476 HydrophobicContact CG2-CG1 3.48Å; I471-V476 VanDerWaalsContact CG2-CG1 3.48Å; I471-L487 HydrophobicContact CD1-CD1 4.16Å; I471-L487 HydrophobicContact CD1-CD2 4.01Å
472	Q	91.9	Very high	93.7	Very high	77 Å²	77	44.7 Å²	44.7	36%	0.36	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-86.7	163.9	176.8	-58.9	-61.3	-47.3	0	0	111.7	E470 A474 D475	E470-Q472 VanDerWaalsContact CG-NE2 3.34Å; E470-Q472 PolarHBondContact OE1-NE2 2.91Å; Q472-A474 PolarHBondContact O-N 2.87Å; Q472-D475 WeakPolarHBondContact CA-OD2 3.42Å; Q472-D475 WeakPolarHBondContact CB-OD2 3.4Å; Q472-D475 PolarHBondContact N-OD2 2.74Å; Q472-D475 PolarHBondContact O-N 2.89Å; Q472-D475 VanDerWaalsContact O-N 3.11Å
473	W	88.9	Confident	93.5	Very high	14 Å²	14	45.4 Å²	45.4	5%	0.053	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-39.6	178	-180	-83.3	0	0	0	113.8	I407 Q409 R444 I447 T448	I407-W473 HydrophobicContact CB-CH2 4.16Å; I407-W473 HydrophobicContact CG2-CH2 3.28Å; I407-W473 HydrophobicContact CG2-CZ3 3.49Å; I407-W473 VanDerWaalsContact CG2-CZ3 3.49Å; Q409-W473 HydrophobicContact CB-CD2 4.06Å; Q409-W473 HydrophobicContact CB-CE3 4.29Å; Q409-W473 HydrophobicContact CB-CG 4.36Å; Q409-W473 HydrophobicContact CG-CB 4.43Å; Q409-W473 HydrophobicContact CG-CD2 4.35Å; Q409-W473 HydrophobicContact CG-CG 4.3Å; R444-W473 HydrophobicContact CB-CE3 4.04Å; R444-W473 HydrophobicContact CB-CH2 4.2Å; R444-W473 HydrophobicContact CB-CZ3 3.76Å; R444-W473 HydrophobicContact CG-CD2 4.09Å; R444-W473 HydrophobicContact CG-CE3 3.86Å; R444-W473 HydrophobicContact CG-CH2 4.28Å; R444-W473 HydrophobicContact CG-CZ2 4.45Å; R444-W473 HydrophobicContact CG-CZ3 3.97Å; I447-W473 HydrophobicContact CD1-CB 4.22Å; T448-W473 HydrophobicContact CG2-CZ3 4.11Å
474	A	88.4	Confident	93.4	Very high	50 Å²	50	46.8 Å²	46.8	41%	0.413	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-26.9	-177.3	0	0	0	0	0	113.2	Q472 V476 R477	Q472-A474 PolarHBondContact O-N 2.87Å; A474-V476 VanDerWaalsContact C-N 3.31Å; A474-V476 PolarHBondContact O-N 2.95Å; A474-R477 VanDerWaalsContact O-CB 3.26Å; A474-R477 WeakPolarHBondContact O-CB 3.3Å; A474-R477 PolarHBondContact O-N 3.17Å
475	D	91.9	Very high	93.3	Very high	83 Å²	83	46.2 Å²	46.2	44%	0.444	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.1	-172.4	-59.9	-21.9	0	0	0	111.8	I471 Q472 R477 W479	I471-D475 HydrophobicContact CG2-CB 4.05Å; Q472-D475 WeakPolarHBondContact CA-OD2 3.42Å; Q472-D475 WeakPolarHBondContact CB-OD2 3.4Å; Q472-D475 PolarHBondContact N-OD2 2.74Å; Q472-D475 PolarHBondContact O-N 2.89Å; Q472-D475 VanDerWaalsContact O-N 3.11Å; D475-R477 VanDerWaalsContact C-N 3.29Å; D475-R477 PolarHBondContact O-N 2.65Å; D475-W479 PolarHBondContact O-NE1 2.87Å
476	V	92.9	Very high	93.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	10.2	-178.9	-62.8	0	0	0	0	113.8	I439 R440 T443 R444 I471 A474 G478 W479	I439-V476 HydrophobicContact CG2-CG1 4.28Å; R440-V476 HydrophobicContact CB-CB 3.89Å; R440-V476 HydrophobicContact CB-CG2 4.19Å; R440-V476 HydrophobicContact CG-CB 3.86Å; R440-V476 HydrophobicContact CG-CG2 3.71Å; R440-V476 WeakPolarHBondContact CG-O 3.39Å; T443-V476 HydrophobicContact CG2-CG1 4.31Å; T443-V476 HydrophobicContact CG2-CG2 4.35Å; R444-V476 HydrophobicContact CG-CG2 4.21Å; I471-V476 HydrophobicContact CG2-CG1 3.48Å; I471-V476 VanDerWaalsContact CG2-CG1 3.48Å; A474-V476 VanDerWaalsContact C-N 3.31Å; A474-V476 PolarHBondContact O-N 2.95Å; V476-G478 PolarHBondContact O-N 2.86Å; V476-W479 VanDerWaalsContact C-CD1 3.45Å; V476-W479 HydrophobicContact CB-CD2 4.22Å; V476-W479 HydrophobicContact CB-CE3 4.41Å; V476-W479 HydrophobicContact CB-CG 4.33Å; V476-W479 HydrophobicContact CG1-CD2 4.23Å; V476-W479 HydrophobicContact CG1-CE3 4.04Å; V476-W479 HydrophobicContact CG1-CH2 4.41Å; V476-W479 HydrophobicContact CG1-CZ3 4.13Å; V476-W479 WeakPolarHBondContact O-CB 3.48Å; V476-W479 PolarHBondContact O-N 2.85Å
477	R	87.8	Confident	93.3	Very high	73 Å²	73	41 Å²	41	28%	0.275	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	129.3	-177.8	-177.6	178.1	-76	151.9	-1.4	110.8	H267 G268 A474 D475 W479	H267-R477 PolarHBondContact O-NH1 2.99Å; H267-R477 PolarHBondContact O-NH2 3.34Å; G268-R477 PolarHBondContact O-NH1 2.93Å; A474-R477 VanDerWaalsContact O-CB 3.26Å; A474-R477 WeakPolarHBondContact O-CB 3.3Å; A474-R477 PolarHBondContact O-N 3.17Å; D475-R477 VanDerWaalsContact C-N 3.29Å; D475-R477 PolarHBondContact O-N 2.65Å; R477-W479 PolarHBondContact O-N 2.95Å
478	G	87.9	Confident	93.3	Very high	41 Å²	41	37.8 Å²	37.8	42%	0.423	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	3.5	178.9	0	0	0	0	0	114.5	V476 V480	V476-G478 PolarHBondContact O-N 2.86Å; G478-V480 VanDerWaalsContact C-N 3.32Å; G478-V480 PolarHBondContact O-N 3.47Å
479	W	93.4	Very high	93.2	Very high	26 Å²	26	37.5 Å²	37.5	10%	0.098	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-69	-23.7	-176.7	-78.8	36.3	0	0	0	114	N436 I439 R440 D475 V476 R477 G481 M482 M486	N436-W479 HydrophobicContact CB-CB 4.09Å; N436-W479 HydrophobicContact CB-CE3 4.39Å; N436-W479 WeakPolarHBondContact CB-O 3.44Å; I439-W479 HydrophobicContact CB-CE3 4.33Å; I439-W479 HydrophobicContact CB-CZ3 4.3Å; I439-W479 HydrophobicContact CD1-CZ3 4.27Å; I439-W479 HydrophobicContact CG2-CE3 4.13Å; I439-W479 HydrophobicContact CG2-CZ3 3.74Å; R440-W479 HydrophobicContact CB-CB 4.21Å; D475-W479 PolarHBondContact O-NE1 2.87Å; V476-W479 VanDerWaalsContact C-CD1 3.45Å; V476-W479 HydrophobicContact CB-CD2 4.22Å; V476-W479 HydrophobicContact CB-CE3 4.41Å; V476-W479 HydrophobicContact CB-CG 4.33Å; V476-W479 HydrophobicContact CG1-CD2 4.23Å; V476-W479 HydrophobicContact CG1-CE3 4.04Å; V476-W479 HydrophobicContact CG1-CH2 4.41Å; V476-W479 HydrophobicContact CG1-CZ3 4.13Å; V476-W479 WeakPolarHBondContact O-CB 3.48Å; V476-W479 PolarHBondContact O-N 2.85Å; R477-W479 PolarHBondContact O-N 2.95Å; W479-G481 VanDerWaalsContact C-N 3.27Å; W479-G481 PolarHBondContact O-N 2.85Å; W479-M482 HydrophobicContact CB-CE 4.07Å; W479-M482 HydrophobicContact CD2-CE 4.27Å; W479-M482 HydrophobicContact CG-CE 3.53Å; W479-M482 PolarHBondContact O-N 2.9Å; W479-M482 VanDerWaalsContact O-N 3.17Å; W479-M486 HydrophobicContact CD2-CB 3.92Å; W479-M486 HydrophobicContact CD2-CG 3.78Å; W479-M486 HydrophobicContact CE3-CB 3.74Å; W479-M486 HydrophobicContact CE3-CG 3.98Å; W479-M486 HydrophobicContact CG-CG 4.36Å; W479-M486 HydrophobicContact CH2-CB 3.31Å; W479-M486 HydrophobicContact CH2-CG 4.23Å; W479-M486 HydrophobicContact CZ2-CB 3.49Å; W479-M486 VanDerWaalsContact CZ2-CB 3.49Å; W479-M486 HydrophobicContact CZ2-CE 4.39Å; W479-M486 HydrophobicContact CZ2-CG 4.02Å; W479-M486 HydrophobicContact CZ3-CB 3.43Å; W479-M486 VanDerWaalsContact CZ3-CB 3.43Å; W479-M486 HydrophobicContact CZ3-CG 4.2Å
480	V	92.5	Very high	93.2	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-61.7	-34.9	179.8	167.9	0	0	0	0	112.5	A236 E238 A437 R440 G478 M482 P689 R694	A236-V480 WeakPolarHBondContact O-CG1 3.35Å; E238-V480 HydrophobicContact CG-CB 3.84Å; E238-V480 HydrophobicContact CG-CG1 4.31Å; E238-V480 HydrophobicContact CG-CG2 3.66Å; E238-V480 WeakPolarHBondContact OE1-CB 3.38Å; E238-V480 WeakPolarHBondContact OE1-CG2 3.26Å; E238-V480 PolarHBondContact OE1-N 2.81Å; A437-V480 HydrophobicContact CB-CB 4.25Å; A437-V480 HydrophobicContact CB-CG1 4.18Å; A437-V480 HydrophobicContact CB-CG2 3.86Å; R440-V480 VanDerWaalsContact CD-CG2 3.47Å; G478-V480 VanDerWaalsContact C-N 3.32Å; G478-V480 PolarHBondContact O-N 3.47Å; V480-M482 VanDerWaalsContact C-N 3.34Å; V480-P689 WeakPolarHBondContact O-CG 3.41Å; V480-R694 HydrophobicContact CG1-CB 3.89Å; V480-R694 HydrophobicContact CG1-CG 4.01Å; V480-R694 WeakPolarHBondContact O-CG 3.49Å
481	G	92.3	Very high	93.1	Very high	20 Å²	20	44.1 Å²	44.1	21%	0.206	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-84.5	-1.6	179.6	0	0	0	0	0	115.1	W479 P689	W479-G481 VanDerWaalsContact C-N 3.27Å; W479-G481 PolarHBondContact O-N 2.85Å; G481-P689 WeakPolarHBondContact O-CD 3.33Å
482	M	94	Very high	93.1	Very high	65 Å²	65	47 Å²	47	32%	0.32	26%	0.256	S	S	.	.			trans	-97.8	131.6	-175.4	-65.1	-162.7	-73.7	0	0	111.8	N436 W479 V480 M486	N436-M482 PolarHBondContact ND2-O 3.39Å; W479-M482 HydrophobicContact CB-CE 4.07Å; W479-M482 HydrophobicContact CD2-CE 4.27Å; W479-M482 HydrophobicContact CG-CE 3.53Å; W479-M482 PolarHBondContact O-N 2.9Å; W479-M482 VanDerWaalsContact O-N 3.17Å; V480-M482 VanDerWaalsContact C-N 3.34Å; M482-M486 HydrophobicContact CE-CE 4.05Å; M482-M486 HydrophobicContact CE-CG 3.85Å; M482-M486 HydrophobicContact CE-SD 3.8Å; M482-M486 HydrophobicContact SD-SD 4.09Å
483	G	94.1	Very high	93.2	Very high	18 Å²	18	44.8 Å²	44.8	19%	0.186	25%	0.247	C	C	.	.			trans	-75.9	-174.4	166.4	0	0	0	0	0	113	N436 D687	N436-G483 PolarHBondContact ND2-O 2.94Å; G483-D687 WeakPolarHBondContact CA-O 3.43Å; G483-D687 PolarHBondContact N-O 3.42Å
484	G	93.4	Very high	93.6	Very high	30 Å²	30	44.1 Å²	44.1	31%	0.309	25%	0.245	S	C	.	.	S	Bend	trans	67.2	-152.4	-178.7	0	0	0	0	0	113.8	N436	N436-G484 PolarHBondContact ND2-O 2.7Å
485	S	95.2	Very high	94	Very high	26 Å²	26	45.5 Å²	45.5	18%	0.182	25%	0.245	C	C	.	.			trans	-135.3	112.2	179	176.1	0	0	0	0	110.3	N427 L487 G488	N427-S485 PolarHBondContact ND2-OG 3.36Å; S485-L487 VanDerWaalsContact C-N 3.31Å; S485-L487 PolarHBondContact O-N 3.22Å; S485-G488 PolarHBondContact O-N 2.64Å; S485-G488 VanDerWaalsContact O-N 3.11Å; S485-G488 VanDerWaalsContact OG-C 3.24Å; S485-G488 PolarHBondContact OG-N 3.32Å; S485-G488 PolarHBondContact OG-O 2.81Å
486	M	95.5	Very high	94.1	Very high	89 Å²	89	44.8 Å²	44.8	44%	0.438	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.2	179.7	-66	-57.1	-63.5	0	0	113.8	N436 W479 M482 G488	N436-M486 WeakPolarHBondContact OD1-CG 3.24Å; N436-M486 PolarHBondContact OD1-N 2.78Å; W479-M486 HydrophobicContact CD2-CB 3.92Å; W479-M486 HydrophobicContact CD2-CG 3.78Å; W479-M486 HydrophobicContact CE3-CB 3.74Å; W479-M486 HydrophobicContact CE3-CG 3.98Å; W479-M486 HydrophobicContact CG-CG 4.36Å; W479-M486 HydrophobicContact CH2-CB 3.31Å; W479-M486 HydrophobicContact CH2-CG 4.23Å; W479-M486 HydrophobicContact CZ2-CB 3.49Å; W479-M486 VanDerWaalsContact CZ2-CB 3.49Å; W479-M486 HydrophobicContact CZ2-CE 4.39Å; W479-M486 HydrophobicContact CZ2-CG 4.02Å; W479-M486 HydrophobicContact CZ3-CB 3.43Å; W479-M486 VanDerWaalsContact CZ3-CB 3.43Å; W479-M486 HydrophobicContact CZ3-CG 4.2Å; M482-M486 HydrophobicContact CE-CE 4.05Å; M482-M486 HydrophobicContact CE-CG 3.85Å; M482-M486 HydrophobicContact CE-SD 3.8Å; M482-M486 HydrophobicContact SD-SD 4.09Å; M486-G488 VanDerWaalsContact C-N 3.32Å
487	L	95.9	Very high	94.2	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.026	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0	170.3	-68.3	178.3	0	0	0	112.5	I425 I439 H457 E458 I471 S485	I425-L487 HydrophobicContact CG2-CD1 4.32Å; I439-L487 HydrophobicContact CD1-CD1 3.86Å; I439-L487 HydrophobicContact CD1-CG 4.14Å; I439-L487 HydrophobicContact CG1-CD1 4.43Å; I439-L487 HydrophobicContact CG2-CD1 4.36Å; H457-L487 CarbonylContact C-O 3.46Å; H457-L487 WeakPolarHBondContact CA-O 2.99Å; H457-L487 VanDerWaalsContact CE1-CD2 3.49Å; H457-L487 WeakPolarHBondContact CE1-CD2 3.12Å; E458-L487 PolarHBondContact N-O 3.3Å; I471-L487 HydrophobicContact CD1-CD1 4.16Å; I471-L487 HydrophobicContact CD1-CD2 4.01Å; S485-L487 VanDerWaalsContact C-N 3.31Å; S485-L487 PolarHBondContact O-N 3.22Å
488	G	96.2	Very high	94.6	Very high	12 Å²	12	44 Å²	44	12%	0.124	26%	0.262	C	S	.	.			trans	70.6	170.3	-166.5	0	0	0	0	0	112.1	N427 E458 S485 M486	N427-G488 WeakPolarHBondContact CB-O 3.06Å; E458-G488 WeakPolarHBondContact OE1-CA 3.41Å; S485-G488 PolarHBondContact O-N 2.64Å; S485-G488 VanDerWaalsContact O-N 3.11Å; S485-G488 VanDerWaalsContact OG-C 3.24Å; S485-G488 PolarHBondContact OG-N 3.32Å; S485-G488 PolarHBondContact OG-O 2.81Å; M486-G488 VanDerWaalsContact C-N 3.32Å
489	T	96.5	Very high	95	Very high	21 Å²	21	43.1 Å²	43.1	13%	0.129	25%	0.248	C	C	.	.			trans	-158.2	142.9	178.5	-176.6	0	0	0	0	110	G429 P431	G429-T489 PolarHBondContact N-OG1 2.86Å; G429-T489 VanDerWaalsContact O-CG2 3.29Å; G429-T489 WeakPolarHBondContact O-CG2 3.37Å; G429-T489 PolarHBondContact O-OG1 3.28Å; P431-T489 HydrophobicContact CB-CG2 4.23Å
490	R	95.7	Very high	95.2	Very high	127 Å²	127	45.6 Å²	45.6	48%	0.479	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-136.4	162.8	178.4	-63.7	-65.3	173.5	-160	-2.9	110.2	V428 G429 E458	V428-R490 CarbonylContact C-O 3.5Å; V428-R490 WeakPolarHBondContact CA-O 3.4Å; G429-R490 PolarHBondContact N-O 3.02Å; E458-R490 HydrophobicContact CB-CG 4.35Å; E458-R490 WeakPolarHBondContact O-CG 3.38Å; E458-R490 IonicContact OE2-CZ 3.5Å; E458-R490 IonicContact OE2-NE 3.48Å; E458-R490 PolarHBondContact OE2-NE 3.35Å; E458-R490 IonicContact OE2-NH2 2.69Å; E458-R490 PolarHBondContact OE2-NH2 3.11Å
491	R	95.3	Very high	95.4	Very high	141 Å²	141	50.7 Å²	50.7	53%	0.532	29%	0.285	S	S	.	.			trans	-95.1	-4.6	179.8	-65.8	-177.1	-176.5	-128.7	12.7	113.7	T493 E521	R491-T493 PolarHBondContact O-N 3.32Å; R491-E521 HydrophobicContact CB-CG 4.12Å; R491-E521 HydrophobicContact CG-CG 4.32Å; R491-E521 IonicContact CZ-OE1 2.7Å; R491-E521 IonicContact NE-OE1 3.36Å; R491-E521 IonicContact NH1-OE1 3.07Å; R491-E521 PolarHBondContact NH1-OE1 2.85Å
492	D	94.8	Very high	95.7	Very high	68 Å²	68	49.8 Å²	49.8	36%	0.364	28%	0.275	S	S	.	.			trans	-64.5	131.8	-176.9	-54.1	-62.4	0	0	0	111.1	S461 L497	S461-D492 WeakPolarHBondContact CB-OD2 3.43Å; D492-L497 HydrophobicContact CB-CD1 3.8Å; D492-L497 HydrophobicContact CB-CD2 4.08Å; D492-L497 HydrophobicContact CB-CG 3.97Å
493	T	95.5	Very high	95.8	Very high	30 Å²	30	46.7 Å²	46.7	18%	0.184	26%	0.26	C	S	.	.			trans	-94.2	155.1	178.6	74.8	0	0	0	0	112	R491 N495 G496 L497 E528	R491-T493 PolarHBondContact O-N 3.32Å; T493-N495 VanDerWaalsContact C-N 3.33Å; T493-N495 PolarHBondContact O-N 3.02Å; T493-G496 PolarHBondContact O-N 2.71Å; T493-G496 VanDerWaalsContact O-N 3.11Å; T493-G496 PolarHBondContact OG1-N 3.29Å; T493-L497 PolarHBondContact O-N 3.36Å; T493-L497 VanDerWaalsContact O-N 3.12Å; T493-E528 WeakPolarHBondContact CB-OE1 3.48Å; T493-E528 VanDerWaalsContact CB-OE2 3.28Å; T493-E528 WeakPolarHBondContact CB-OE2 3.46Å; T493-E528 PolarHBondContact OG1-OE1 3.21Å; T493-E528 PolarHBondContact OG1-OE2 3.38Å
494	P	96.8	Very high	96	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-48.8	-47.2	175.2	-30.3	33.5	0	0	0	114.6	F460 L497 G498 I499 V502 C525 E528 L529	F460-P494 HydrophobicContact CD1-CG 4.42Å; F460-P494 HydrophobicContact CD2-CG 4.02Å; F460-P494 HydrophobicContact CE1-CG 4.43Å; F460-P494 HydrophobicContact CE2-CG 4.03Å; F460-P494 HydrophobicContact CG-CG 4.24Å; F460-P494 HydrophobicContact CZ-CG 4.25Å; P494-L497 PolarHBondContact O-N 3.22Å; P494-G498 CarbonylContact O-C 3.54Å; P494-G498 PolarHBondContact O-N 3.25Å; P494-I499 HydrophobicContact CB-CG1 4.41Å; P494-I499 PolarHBondContact O-N 3.04Å; P494-I499 VanDerWaalsContact O-N 3.11Å; P494-V502 HydrophobicContact CB-CG2 4.24Å; P494-C525 WeakPolarHBondContact CD-SG 3.36Å; P494-C525 HydrophobicContact CG-CB 4.18Å; P494-E528 HydrophobicContact CB-CB 4.46Å; P494-E528 WeakPolarHBondContact CD-OE2 3.43Å; P494-E528 VanDerWaalsContact N-OE2 3.16Å; P494-L529 HydrophobicContact CB-CD2 4.27Å; P494-L529 HydrophobicContact CG-CD2 4.02Å; P494-L529 HydrophobicContact CG-CG 4.08Å
495	N	95.5	Very high	96.2	Very high	79 Å²	79	48.7 Å²	48.7	42%	0.422	27%	0.265	S	S	.	.	H	α-helix	trans	-66.2	-39.3	178.4	-76.2	-23.5	0	0	0	111.8	T493 L497 G498 E528	T493-N495 VanDerWaalsContact C-N 3.33Å; T493-N495 PolarHBondContact O-N 3.02Å; N495-L497 PolarHBondContact O-N 3.33Å; N495-G498 PolarHBondContact O-N 3.16Å; N495-E528 HydrophobicContact CB-CG 4.44Å; N495-E528 WeakPolarHBondContact CB-OE2 3.35Å; N495-E528 PolarHBondContact N-OE2 2.76Å; N495-E528 VanDerWaalsContact ND2-CD 3.29Å; N495-E528 VanDerWaalsContact ND2-CG 3.25Å; N495-E528 WeakPolarHBondContact ND2-CG 3.27Å
496	G	95.1	Very high	96.3	Very high	68 Å²	68	47.7 Å²	47.7	70%	0.701	26%	0.257	S	S	*	.	H	α-helix	trans	-62.1	-30.4	177	0	0	0	0	0	113.5	T493	T493-G496 PolarHBondContact O-N 2.71Å; T493-G496 VanDerWaalsContact O-N 3.11Å; T493-G496 PolarHBondContact OG1-N 3.29Å
497	L	95.4	Very high	96.3	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.209	27%	0.266	C	S	.	.	H	α-helix	trans	-91.8	-18.1	179	-65.4	170	0	0	0	113.8	F460 V464 D492 T493 P494 N495 K501	F460-L497 VanDerWaalsContact C-CD1 3.41Å; F460-L497 HydrophobicContact CB-CD1 3.67Å; V464-L497 HydrophobicContact CG2-CB 4.36Å; V464-L497 HydrophobicContact CG2-CD1 4.45Å; D492-L497 HydrophobicContact CB-CD1 3.8Å; D492-L497 HydrophobicContact CB-CD2 4.08Å; D492-L497 HydrophobicContact CB-CG 3.97Å; T493-L497 PolarHBondContact O-N 3.36Å; T493-L497 VanDerWaalsContact O-N 3.12Å; P494-L497 PolarHBondContact O-N 3.22Å; N495-L497 PolarHBondContact O-N 3.33Å; L497-K501 PolarHBondContact O-NZ 3.12Å
498	G	95.5	Very high	96.3	Very high	16 Å²	16	55.7 Å²	55.7	17%	0.165	29%	0.291	C	S	.	.			trans	100.4	102	-167.8	0	0	0	0	0	110.7	P494 N495 D500 K501 V502	P494-G498 CarbonylContact O-C 3.54Å; P494-G498 PolarHBondContact O-N 3.25Å; N495-G498 PolarHBondContact O-N 3.16Å; G498-D500 WeakPolarHBondContact CA-OD1 3.11Å; G498-D500 PolarHBondContact O-N 3.21Å; G498-K501 WeakPolarHBondContact O-CB 3.45Å; G498-K501 PolarHBondContact O-N 3.01Å; G498-V502 PolarHBondContact O-N 3.25Å
499	I	96.7	Very high	96.3	Very high	23 Å²	23	56.4 Å²	56.4	12%	0.118	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-27.9	-177.2	-167.5	166.5	0	0	0	112.4	P494 K501 V502 A503 E528 Y536 L539	P494-I499 HydrophobicContact CB-CG1 4.41Å; P494-I499 PolarHBondContact O-N 3.04Å; P494-I499 VanDerWaalsContact O-N 3.11Å; I499-K501 VanDerWaalsContact C-N 3.33Å; I499-K501 PolarHBondContact O-N 3.34Å; I499-V502 PolarHBondContact O-N 3.05Å; I499-A503 VanDerWaalsContact O-CB 3.28Å; I499-A503 WeakPolarHBondContact O-CB 3.36Å; I499-A503 PolarHBondContact O-N 2.88Å; I499-E528 WeakPolarHBondContact CD1-O 3.44Å; I499-Y536 HydrophobicContact CG2-CD2 4.45Å; I499-Y536 HydrophobicContact CG2-CE2 3.67Å; I499-L539 HydrophobicContact CD1-CD1 4.12Å; I499-L539 HydrophobicContact CG1-CD1 4.14Å
500	D	97	Very high	96.2	Very high	79 Å²	79	62.7 Å²	62.7	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-40.9	172.5	62.1	-49.8	0	0	0	112.1	G498 A504 Y536	G498-D500 WeakPolarHBondContact CA-OD1 3.11Å; G498-D500 PolarHBondContact O-N 3.21Å; D500-A504 WeakPolarHBondContact O-CB 3.27Å; D500-A504 PolarHBondContact O-N 3.34Å; D500-Y536 HydrophobicContact CB-CE1 3.97Å; D500-Y536 WeakPolarHBondContact CB-OH 3.44Å
501	K	97.3	Very high	96.2	Very high	108 Å²	108	57.2 Å²	57.2	47%	0.47	30%	0.298	S	S	.	.	H	α-helix	trans	-70.9	-39.4	177.6	-58.3	178.2	-169.6	160	0	111.4	V464 L497 G498 I499 A504 K505	V464-K501 HydrophobicContact CG1-CB 4.1Å; V464-K501 HydrophobicContact CG1-CD 4.05Å; V464-K501 HydrophobicContact CG2-CB 4.18Å; L497-K501 PolarHBondContact O-NZ 3.12Å; G498-K501 WeakPolarHBondContact O-CB 3.45Å; G498-K501 PolarHBondContact O-N 3.01Å; I499-K501 VanDerWaalsContact C-N 3.33Å; I499-K501 PolarHBondContact O-N 3.34Å; K501-A504 PolarHBondContact O-N 3.47Å; K501-K505 WeakPolarHBondContact O-CG 3.25Å; K501-K505 PolarHBondContact O-N 3.32Å; K501-K505 VanDerWaalsContact O-N 3.13Å
502	V	97.6	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.2	-49.2	175.2	174.5	0	0	0	0	110	F460 L463 V464 P494 G498 I499 A504 K505 F506 L529	F460-V502 HydrophobicContact CD1-CG1 4Å; F460-V502 HydrophobicContact CE1-CG1 4.2Å; L463-V502 HydrophobicContact CD2-CG1 4.05Å; V464-V502 HydrophobicContact CG2-CG2 3.84Å; P494-V502 HydrophobicContact CB-CG2 4.24Å; G498-V502 PolarHBondContact O-N 3.25Å; I499-V502 PolarHBondContact O-N 3.05Å; V502-A504 PolarHBondContact O-N 3.49Å; V502-K505 WeakPolarHBondContact O-CB 3.18Å; V502-K505 PolarHBondContact O-N 3.49Å; V502-K505 VanDerWaalsContact O-N 3.11Å; V502-F506 HydrophobicContact CG1-CD2 4.06Å; V502-F506 HydrophobicContact CG1-CE2 3.66Å; V502-F506 HydrophobicContact CG1-CZ 4.43Å; V502-F506 VanDerWaalsContact O-CD2 3.23Å; V502-F506 WeakPolarHBondContact O-CD2 3.4Å; V502-F506 PolarHBondContact O-N 3.33Å; V502-L529 HydrophobicContact CG1-CD2 4.11Å
503	A	97.4	Very high	96.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-46.2	176.6	0	0	0	0	0	111.9	I499 K505 F506 K507 Y536 E538 L539	I499-A503 VanDerWaalsContact O-CB 3.28Å; I499-A503 WeakPolarHBondContact O-CB 3.36Å; I499-A503 PolarHBondContact O-N 2.88Å; A503-K505 PolarHBondContact O-N 3.38Å; A503-F506 WeakPolarHBondContact O-CB 3.49Å; A503-F506 PolarHBondContact O-N 3.29Å; A503-K507 PolarHBondContact O-N 3.35Å; A503-Y536 HydrophobicContact CB-CD1 3.71Å; A503-Y536 HydrophobicContact CB-CD2 4.48Å; A503-Y536 HydrophobicContact CB-CE1 4.48Å; A503-Y536 HydrophobicContact CB-CG 3.72Å; A503-E538 HydrophobicContact CB-CG 3.7Å; A503-E538 WeakPolarHBondContact CB-OE1 3.35Å; A503-E538 WeakPolarHBondContact O-CG 3.38Å; A503-L539 HydrophobicContact CB-CD1 4.49Å; A503-L539 HydrophobicContact CB-CD2 4.19Å; A503-L539 HydrophobicContact CB-CG 4.24Å
504	A	97.4	Very high	96.5	Very high	52 Å²	52	46.3 Å²	46.3	43%	0.43	25%	0.25	S	C	.	.	H	α-helix	trans	-54.6	-39.3	175.1	0	0	0	0	0	112.5	D500 K501 V502 K507 E508	D500-A504 WeakPolarHBondContact O-CB 3.27Å; D500-A504 PolarHBondContact O-N 3.34Å; K501-A504 PolarHBondContact O-N 3.47Å; V502-A504 PolarHBondContact O-N 3.49Å; A504-K507 PolarHBondContact O-N 3.39Å; A504-E508 WeakPolarHBondContact O-CB 3.41Å; A504-E508 PolarHBondContact O-N 3.13Å
505	K	97.5	Very high	96.6	Very high	39 Å²	39	46.3 Å²	46.3	17%	0.17	25%	0.25	C	C	.	.	H	α-helix	trans	-72	-34.7	176.2	-70.7	-67.9	-178.8	-167.4	0	113.8	L463 K501 V502 A503 K507 E508 L509	L463-K505 HydrophobicContact CD1-CB 3.93Å; L463-K505 HydrophobicContact CD2-CB 4.25Å; L463-K505 HydrophobicContact CG-CB 3.8Å; L463-K505 HydrophobicContact CG-CG 4.35Å; L463-K505 WeakPolarHBondContact O-CG 3.49Å; K501-K505 WeakPolarHBondContact O-CG 3.25Å; K501-K505 PolarHBondContact O-N 3.32Å; K501-K505 VanDerWaalsContact O-N 3.13Å; V502-K505 WeakPolarHBondContact O-CB 3.18Å; V502-K505 PolarHBondContact O-N 3.49Å; V502-K505 VanDerWaalsContact O-N 3.11Å; A503-K505 PolarHBondContact O-N 3.38Å; K505-K507 VanDerWaalsContact C-N 3.27Å; K505-K507 PolarHBondContact O-N 3.1Å; K505-E508 WeakPolarHBondContact CD-OE2 3.38Å; K505-E508 WeakPolarHBondContact CE-OE2 3.49Å; K505-E508 VanDerWaalsContact NZ-CD 3.29Å; K505-E508 IonicContact NZ-OE1 2.75Å; K505-E508 PolarHBondContact NZ-OE1 3.42Å; K505-E508 VanDerWaalsContact NZ-OE1 3.12Å; K505-E508 IonicContact NZ-OE2 3.56Å; K505-E508 PolarHBondContact NZ-OE2 2.86Å; K505-E508 PolarHBondContact O-N 3.3Å; K505-L509 WeakPolarHBondContact O-CB 3.28Å; K505-L509 WeakPolarHBondContact O-CG 3.33Å; K505-L509 PolarHBondContact O-N 3.03Å
506	F	97.1	Very high	96.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-59.9	-42.8	172.5	-84.4	-135	0	0	0	110.8	F460 L463 V502 A503 K510 L511 L514 L529 L539 I541 M543	F460-F506 HydrophobicContact CE1-CE2 4.24Å; F460-F506 HydrophobicContact CE1-CZ 4.3Å; L463-F506 HydrophobicContact CD2-CD2 3.86Å; L463-F506 HydrophobicContact CD2-CE2 3.54Å; V502-F506 HydrophobicContact CG1-CD2 4.06Å; V502-F506 HydrophobicContact CG1-CE2 3.66Å; V502-F506 HydrophobicContact CG1-CZ 4.43Å; V502-F506 VanDerWaalsContact O-CD2 3.23Å; V502-F506 WeakPolarHBondContact O-CD2 3.4Å; V502-F506 PolarHBondContact O-N 3.33Å; A503-F506 WeakPolarHBondContact O-CB 3.49Å; A503-F506 PolarHBondContact O-N 3.29Å; F506-K510 PolarHBondContact O-N 3.05Å; F506-L511 HydrophobicContact CD1-CD1 4.13Å; F506-L511 HydrophobicContact CD2-CD1 4.12Å; F506-L511 HydrophobicContact CE1-CD1 4.35Å; F506-L511 HydrophobicContact CE2-CD1 4.35Å; F506-L511 HydrophobicContact CG-CD1 4.02Å; F506-L511 HydrophobicContact CZ-CD1 4.47Å; F506-L511 PolarHBondContact O-N 3.22Å; F506-L511 VanDerWaalsContact O-N 3.15Å; F506-L514 HydrophobicContact CE1-CD2 3.97Å; F506-L514 HydrophobicContact CZ-CD1 4.35Å; F506-L514 HydrophobicContact CZ-CD2 3.67Å; F506-L529 HydrophobicContact CZ-CD1 4.47Å; F506-L529 HydrophobicContact CZ-CD2 4.34Å; F506-L539 HydrophobicContact CD1-CD2 3.76Å; F506-L539 HydrophobicContact CE1-CD2 4Å; F506-L539 HydrophobicContact CG-CD2 4.07Å; F506-L539 HydrophobicContact CZ-CD2 4.49Å; F506-I541 HydrophobicContact CD1-CD1 3.82Å; F506-I541 HydrophobicContact CE1-CD1 3.97Å; F506-M543 HydrophobicContact CE1-CE 4.12Å
507	K	95.5	Very high	96.9	Very high	145 Å²	145	39.3 Å²	39.3	63%	0.63	20%	0.196	S	C	*	.	H	α-helix	trans	-66	-44.6	175.5	-173.7	177.2	-178.2	175.3	0	112.4	A503 A504 K505 K510 E538	A503-K507 PolarHBondContact O-N 3.35Å; A504-K507 PolarHBondContact O-N 3.39Å; K505-K507 VanDerWaalsContact C-N 3.27Å; K505-K507 PolarHBondContact O-N 3.1Å; K507-K510 PolarHBondContact O-N 3.33Å; K507-E538 HydrophobicContact CB-CB 4.18Å
508	E	96.2	Very high	97	Very high	118 Å²	118	37.4 Å²	37.4	55%	0.551	19%	0.186	S	C	*	.	H	α-helix	trans	-59.2	-47.2	177.2	-175.6	-176.3	138.9	0	0	111.7	A504 K505 K510	A504-E508 WeakPolarHBondContact O-CB 3.41Å; A504-E508 PolarHBondContact O-N 3.13Å; K505-E508 WeakPolarHBondContact CD-OE2 3.38Å; K505-E508 WeakPolarHBondContact CE-OE2 3.49Å; K505-E508 VanDerWaalsContact NZ-CD 3.29Å; K505-E508 IonicContact NZ-OE1 2.75Å; K505-E508 PolarHBondContact NZ-OE1 3.42Å; K505-E508 VanDerWaalsContact NZ-OE1 3.12Å; K505-E508 IonicContact NZ-OE2 3.56Å; K505-E508 PolarHBondContact NZ-OE2 2.86Å; K505-E508 PolarHBondContact O-N 3.3Å; E508-K510 PolarHBondContact O-N 3.04Å
509	L	95.7	Very high	97.1	Very high	27 Å²	27	36.8 Å²	36.8	14%	0.141	18%	0.18	C	C	.	.	H	α-helix	trans	-75.4	-13.5	179.4	-67.9	176.4	0	0	0	113.2	R422 I454 L463 A468 K505 L511	R422-L509 WeakPolarHBondContact CD-O 3.32Å; R422-L509 PolarHBondContact NH1-O 3.05Å; I454-L509 HydrophobicContact CG2-CD1 4.37Å; L463-L509 HydrophobicContact CD1-CD1 3.54Å; A468-L509 HydrophobicContact CB-CD1 3.9Å; A468-L509 HydrophobicContact CB-CD2 4.29Å; K505-L509 WeakPolarHBondContact O-CB 3.28Å; K505-L509 WeakPolarHBondContact O-CG 3.33Å; K505-L509 PolarHBondContact O-N 3.03Å; L509-L511 HydrophobicContact CB-CD2 3.87Å; L509-L511 HydrophobicContact CB-CG 3.93Å
510	K	95.1	Very high	97.2	Very high	152 Å²	152	35.7 Å²	35.7	66%	0.661	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	48.2	-175.3	-56.8	-178.3	178.6	-175.1	0	112.1	F506 K507 E508	F506-K510 PolarHBondContact O-N 3.05Å; K507-K510 PolarHBondContact O-N 3.33Å; E508-K510 PolarHBondContact O-N 3.04Å
511	L	96.3	Very high	97.2	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.8	179.1	-58.8	-176.1	0	0	0	110.4	R422 I454 F506 L509 I541	R422-L511 HydrophobicContact CB-CD2 4.46Å; I454-L511 HydrophobicContact CB-CD2 4.39Å; I454-L511 HydrophobicContact CG1-CD2 4.35Å; F506-L511 HydrophobicContact CD1-CD1 4.13Å; F506-L511 HydrophobicContact CD2-CD1 4.12Å; F506-L511 HydrophobicContact CE1-CD1 4.35Å; F506-L511 HydrophobicContact CE2-CD1 4.35Å; F506-L511 HydrophobicContact CG-CD1 4.02Å; F506-L511 HydrophobicContact CZ-CD1 4.47Å; F506-L511 PolarHBondContact O-N 3.22Å; F506-L511 VanDerWaalsContact O-N 3.15Å; L509-L511 HydrophobicContact CB-CD2 3.87Å; L509-L511 HydrophobicContact CB-CG 3.93Å; L511-I541 HydrophobicContact CB-CD1 3.91Å
512	S	96.4	Very high	97.2	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.063	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-15.3	177.6	-47.6	0	0	0	0	112.1	L421 R422 P542	L421-S512 WeakPolarHBondContact CD2-OG 3.41Å; R422-S512 PolarHBondContact N-OG 3.19Å; R422-S512 WeakPolarHBondContact O-CB 3.43Å; R422-S512 PolarHBondContact O-N 3.17Å; S512-P542 WeakPolarHBondContact O-CD 3.29Å
513	G	97.2	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	166.6	172.1	0	0	0	0	0	110.7	I423 G424 P542	I423-G513 WeakPolarHBondContact CA-O 3.47Å; G424-G513 PolarHBondContact N-O 2.73Å; G513-P542 CarbonylContact C-O 3.47Å; G513-P542 VanDerWaalsContact CA-O 3.24Å; G513-P542 WeakPolarHBondContact CA-O 3.24Å
514	L	98.3	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.8	-179.7	-175.3	71.1	0	0	0	111.4	G424 V426 I456 F506 I516 L529 I541 P542 M543 A544	G424-L514 CarbonylContact O-C 3.5Å; G424-L514 WeakPolarHBondContact O-CA 3.34Å; V426-L514 HydrophobicContact CG1-CD1 4.19Å; I456-L514 HydrophobicContact CD1-CD1 4.17Å; F506-L514 HydrophobicContact CE1-CD2 3.97Å; F506-L514 HydrophobicContact CZ-CD1 4.35Å; F506-L514 HydrophobicContact CZ-CD2 3.67Å; L514-I516 HydrophobicContact CD2-CD1 3.68Å; L514-I516 HydrophobicContact CD2-CG1 3.63Å; L514-I516 HydrophobicContact CG-CD1 4.48Å; L514-I516 HydrophobicContact CG-CG1 3.88Å; L514-L529 HydrophobicContact CD2-CD1 3.9Å; L514-I541 HydrophobicContact CB-CD1 4.47Å; L514-P542 PolarHBondContact N-O 3.25Å; L514-M543 HydrophobicContact CB-CB 4.47Å; L514-M543 HydrophobicContact CB-CG 4.06Å; L514-M543 HydrophobicContact CD2-CG 4.48Å; L514-M543 HydrophobicContact CD2-SD 4.21Å; L514-M543 CarbonylContact O-C 3.59Å; L514-M543 VanDerWaalsContact O-CA 3.32Å; L514-M543 WeakPolarHBondContact O-CA 3.3Å; L514-A544 PolarHBondContact O-N 2.85Å
515	L	98.6	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.9	164	179.7	66.2	0	0	0	109.3	G424 I425 V426 V438 F442 I517 A544 V546 A704 L708	G424-L515 PolarHBondContact O-N 3.11Å; I425-L515 WeakPolarHBondContact CA-O 3.49Å; I425-L515 HydrophobicContact CG1-CB 4.31Å; I425-L515 HydrophobicContact CG1-CD2 4.48Å; I425-L515 HydrophobicContact CG2-CB 4.48Å; I425-L515 HydrophobicContact CG2-CD2 4.2Å; V426-L515 PolarHBondContact N-O 2.94Å; V438-L515 HydrophobicContact CG1-CD2 4.07Å; F442-L515 HydrophobicContact CB-CD2 4.14Å; F442-L515 HydrophobicContact CD1-CD2 4.14Å; F442-L515 HydrophobicContact CD2-CD2 3.56Å; F442-L515 HydrophobicContact CE1-CD2 4.42Å; F442-L515 HydrophobicContact CE2-CB 4.29Å; F442-L515 HydrophobicContact CE2-CD2 3.88Å; F442-L515 HydrophobicContact CE2-CG 4.48Å; F442-L515 HydrophobicContact CG-CD2 3.67Å; F442-L515 HydrophobicContact CZ-CB 4.13Å; F442-L515 HydrophobicContact CZ-CD2 4.29Å; L515-I517 HydrophobicContact CD2-CD1 4.01Å; L515-I517 HydrophobicContact CD2-CG1 4.09Å; L515-I517 HydrophobicContact CG-CD1 4.44Å; L515-I517 HydrophobicContact CG-CG1 4.01Å; L515-A544 WeakPolarHBondContact CA-O 3.45Å; L515-A544 HydrophobicContact CD1-CB 4.14Å; L515-V546 HydrophobicContact CD1-CG2 3.96Å; L515-A704 HydrophobicContact CD1-CB 3.9Å; L515-L708 HydrophobicContact CB-CD1 4.45Å
516	I	98.4	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.8	171.1	-50.6	-165.9	0	0	0	108.7	V426 V428 F460 L514 A522 M526 L529 A544 M545 V546	V426-I516 HydrophobicContact CG1-CB 4.26Å; V426-I516 HydrophobicContact CG1-CD1 4.41Å; V426-I516 HydrophobicContact CG1-CG1 3.84Å; V426-I516 HydrophobicContact CG1-CG2 4.16Å; V426-I516 WeakPolarHBondContact O-CA 3.29Å; V428-I516 HydrophobicContact CB-CG2 4.47Å; V428-I516 HydrophobicContact CG2-CG2 4.02Å; F460-I516 HydrophobicContact CE2-CD1 4.3Å; F460-I516 HydrophobicContact CZ-CD1 3.87Å; L514-I516 HydrophobicContact CD2-CD1 3.68Å; L514-I516 HydrophobicContact CD2-CG1 3.63Å; L514-I516 HydrophobicContact CG-CD1 4.48Å; L514-I516 HydrophobicContact CG-CG1 3.88Å; I516-A522 HydrophobicContact CG2-CB 3.65Å; I516-M526 HydrophobicContact CB-SD 4.43Å; I516-M526 HydrophobicContact CD1-CG 3.86Å; I516-M526 HydrophobicContact CD1-SD 3.56Å; I516-M526 VanDerWaalsContact CD1-SD 3.56Å; I516-M526 HydrophobicContact CG1-CG 4.48Å; I516-M526 HydrophobicContact CG1-SD 3.93Å; I516-L529 HydrophobicContact CD1-CD1 3.81Å; I516-A544 PolarHBondContact N-O 2.91Å; I516-M545 CarbonylContact O-C 3.59Å; I516-M545 VanDerWaalsContact O-CA 3.24Å; I516-M545 WeakPolarHBondContact O-CA 3.4Å; I516-V546 PolarHBondContact O-N 3.36Å
517	I	98.6	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.5	176.7	-49.6	166.1	0	0	0	108	I425 V426 N427 V428 I435 V438 I439 L515 V546 A548	I425-I517 HydrophobicContact CG2-CD1 4Å; V426-I517 PolarHBondContact O-N 3.07Å; N427-I517 CarbonylContact C-O 3.38Å; N427-I517 VanDerWaalsContact CA-O 3.25Å; N427-I517 WeakPolarHBondContact CA-O 3.45Å; V428-I517 PolarHBondContact N-O 3.02Å; I435-I517 HydrophobicContact CB-CG2 4.37Å; I435-I517 HydrophobicContact CG1-CG2 3.9Å; I435-I517 HydrophobicContact CG2-CG2 4.12Å; V438-I517 HydrophobicContact CB-CD1 3.89Å; V438-I517 HydrophobicContact CG1-CD1 3.56Å; V438-I517 HydrophobicContact CG1-CG1 4.1Å; I439-I517 HydrophobicContact CD1-CD1 4.46Å; I439-I517 HydrophobicContact CG1-CD1 3.62Å; L515-I517 HydrophobicContact CD2-CD1 4.01Å; L515-I517 HydrophobicContact CD2-CG1 4.09Å; L515-I517 HydrophobicContact CG-CD1 4.44Å; L515-I517 HydrophobicContact CG-CG1 4.01Å; I517-V546 WeakPolarHBondContact CA-O 3.05Å; I517-V546 HydrophobicContact CG1-CB 4.4Å; I517-V546 HydrophobicContact CG2-CB 4.37Å; I517-V546 HydrophobicContact CG2-CG1 4.47Å; I517-A548 HydrophobicContact CG2-CB 3.78Å
518	G	98	Very high	97.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-175.8	-177.9	0	0	0	0	0	116.8	V428 M545 V546 P547 A548	V428-G518 WeakPolarHBondContact O-CA 3.43Å; G518-M545 WeakPolarHBondContact O-CE 2.9Å; G518-V546 PolarHBondContact N-O 2.98Å; G518-P547 CarbonylContact O-C 3.6Å; G518-P547 WeakPolarHBondContact O-CA 3.5Å; G518-A548 CarbonylContact C-O 3.41Å; G518-A548 PolarHBondContact O-N 3.17Å
519	G	97.4	Very high	97.1	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.031	7%	0.07	C	C	.	.	S	Bend	trans	-83.7	-148.5	-177	0	0	0	0	0	112.7	V428 E521 A522 Y523 M545 A548	V428-G519 PolarHBondContact O-N 3.47Å; G519-E521 VanDerWaalsContact C-N 3.3Å; G519-E521 PolarHBondContact O-N 2.77Å; G519-A522 WeakPolarHBondContact O-CB 3.4Å; G519-A522 PolarHBondContact O-N 2.94Å; G519-A522 VanDerWaalsContact O-N 3.09Å; G519-Y523 PolarHBondContact O-N 2.96Å; G519-M545 WeakPolarHBondContact O-CE 3.39Å; G519-A548 WeakPolarHBondContact CA-O 3.26Å; G519-A548 PolarHBondContact N-O 3Å
520	F	97.4	Very high	97.2	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	7%	0.067	C	C	.	.	H	α-helix	trans	-68.3	-28.7	-178.8	-168.4	-72.8	0	0	0	112.4	A522 Y523 E524 N553 T752 F754 R757	F520-A522 VanDerWaalsContact C-N 3.28Å; F520-A522 PolarHBondContact O-N 3.31Å; F520-Y523 HydrophobicContact CE2-CD1 4.32Å; F520-Y523 HydrophobicContact CZ-CD1 4.31Å; F520-Y523 WeakPolarHBondContact O-CB 3.25Å; F520-Y523 PolarHBondContact O-N 3.49Å; F520-Y523 VanDerWaalsContact O-N 3.15Å; F520-E524 HydrophobicContact CD1-CG 3.91Å; F520-E524 HydrophobicContact CE1-CG 3.81Å; F520-E524 PolarHBondContact O-N 3.07Å; F520-N553 WeakPolarHBondContact CD2-O 3.43Å; F520-T752 HydrophobicContact CE2-CG2 3.53Å; F520-T752 HydrophobicContact CZ-CG2 3.42Å; F520-T752 VanDerWaalsContact CZ-CG2 3.42Å; F520-F754 AromaticContact CE1-CD1 3.98Å; F520-F754 HydrophobicContact CE1-CD1 3.98Å; F520-F754 HydrophobicContact CE1-CE1 4.39Å; F520-F754 AromaticContact CZ-CD1 3.92Å; F520-F754 HydrophobicContact CZ-CD1 3.92Å; F520-F754 HydrophobicContact CZ-CE1 4.25Å; F520-R757 HydrophobicContact CB-CB 4.47Å; F520-R757 VanDerWaalsContact CB-NH2 3.35Å; F520-R757 HydrophobicContact CD1-CB 3.77Å; F520-R757 HydrophobicContact CD1-CG 3.86Å; F520-R757 HydrophobicContact CD2-CB 3.92Å; F520-R757 HydrophobicContact CE1-CB 3.85Å; F520-R757 HydrophobicContact CE1-CG 3.79Å; F520-R757 VanDerWaalsContact CE2-C 3.46Å; F520-R757 HydrophobicContact CE2-CB 4.01Å; F520-R757 HydrophobicContact CG-CB 3.8Å; F520-R757 HydrophobicContact CG-CG 4.39Å; F520-R757 HydrophobicContact CZ-CB 3.97Å; F520-R757 HydrophobicContact CZ-CG 4.29Å
521	E	97	Very high	97.1	Very high	17 Å²	17	11.6 Å²	11.6	8%	0.079	6%	0.058	C	C	.	.	H	α-helix	trans	-61.2	-36.3	170.4	-70	88.2	177.7	0	0	111.9	V428 R491 G519 Y523 E524 C525 R757	V428-E521 HydrophobicContact CG1-CB 3.91Å; R491-E521 HydrophobicContact CB-CG 4.12Å; R491-E521 HydrophobicContact CG-CG 4.32Å; R491-E521 IonicContact CZ-OE1 2.7Å; R491-E521 IonicContact NE-OE1 3.36Å; R491-E521 IonicContact NH1-OE1 3.07Å; R491-E521 PolarHBondContact NH1-OE1 2.85Å; G519-E521 VanDerWaalsContact C-N 3.3Å; G519-E521 PolarHBondContact O-N 2.77Å; E521-Y523 VanDerWaalsContact C-N 3.32Å; E521-Y523 PolarHBondContact O-N 3.48Å; E521-E524 PolarHBondContact O-N 3Å; E521-C525 WeakPolarHBondContact O-CB 3.43Å; E521-C525 PolarHBondContact O-N 2.88Å; E521-C525 PolarHBondContact O-SG 3.02Å; E521-R757 VanDerWaalsContact N-NH2 3.19Å; E521-R757 IonicContact OE1-CZ 2.79Å; E521-R757 VanDerWaalsContact OE1-CZ 3.31Å; E521-R757 IonicContact OE1-NH1 3.62Å; E521-R757 PolarHBondContact OE1-NH1 2.8Å; E521-R757 IonicContact OE1-NH2 2.73Å; E521-R757 PolarHBondContact OE1-NH2 3Å; E521-R757 IonicContact OE2-CZ 2.61Å; E521-R757 IonicContact OE2-NH1 3.69Å; E521-R757 IonicContact OE2-NH2 3.49Å; E521-R757 PolarHBondContact OE2-NH2 2.99Å
522	A	97.7	Very high	97.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.3	-37.2	175.2	0	0	0	0	0	112	V428 I516 G519 F520 C525 M526 M545	V428-A522 HydrophobicContact CB-CB 3.98Å; V428-A522 HydrophobicContact CG1-CB 4.5Å; I516-A522 HydrophobicContact CG2-CB 3.65Å; G519-A522 WeakPolarHBondContact O-CB 3.4Å; G519-A522 PolarHBondContact O-N 2.94Å; G519-A522 VanDerWaalsContact O-N 3.09Å; F520-A522 VanDerWaalsContact C-N 3.28Å; F520-A522 PolarHBondContact O-N 3.31Å; A522-C525 PolarHBondContact O-N 3.03Å; A522-M526 PolarHBondContact O-N 3.32Å; A522-M545 HydrophobicContact CB-CE 3.72Å; A522-M545 HydrophobicContact CB-SD 4.35Å
523	Y	97.6	Very high	97	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.7	-45.4	174.9	175.8	-118.6	0	0	0	111.4	G519 F520 E521 C525 M526 I527 M545 P555 I745 L748 R749 T752 F754	G519-Y523 PolarHBondContact O-N 2.96Å; F520-Y523 HydrophobicContact CE2-CD1 4.32Å; F520-Y523 HydrophobicContact CZ-CD1 4.31Å; F520-Y523 WeakPolarHBondContact O-CB 3.25Å; F520-Y523 PolarHBondContact O-N 3.49Å; F520-Y523 VanDerWaalsContact O-N 3.15Å; E521-Y523 VanDerWaalsContact C-N 3.32Å; E521-Y523 PolarHBondContact O-N 3.48Å; Y523-C525 PolarHBondContact O-N 3.1Å; Y523-M526 WeakPolarHBondContact O-CB 3.46Å; Y523-M526 PolarHBondContact O-N 3.13Å; Y523-I527 HydrophobicContact CD1-CD1 4.09Å; Y523-I527 HydrophobicContact CD2-CD1 4.49Å; Y523-I527 HydrophobicContact CE1-CD1 3.57Å; Y523-I527 HydrophobicContact CE2-CD1 4.03Å; Y523-I527 HydrophobicContact CE2-CG1 4.43Å; Y523-I527 PolarHBondContact O-N 3.35Å; Y523-I527 VanDerWaalsContact O-N 3.1Å; Y523-M545 VanDerWaalsContact CA-SD 3.55Å; Y523-M545 HydrophobicContact CD2-SD 4.39Å; Y523-P555 HydrophobicContact CD1-CG 4.06Å; Y523-P555 HydrophobicContact CE1-CG 3.8Å; Y523-P555 HydrophobicContact CE2-CG 4.28Å; Y523-P555 HydrophobicContact CG-CG 4.42Å; Y523-I745 HydrophobicContact CD2-CD1 3.89Å; Y523-I745 HydrophobicContact CD2-CG2 4.33Å; Y523-I745 HydrophobicContact CE2-CD1 4.04Å; Y523-I745 HydrophobicContact CE2-CG2 3.88Å; Y523-I745 PolarHBondContact OH-O 2.79Å; Y523-L748 HydrophobicContact CE2-CB 4.07Å; Y523-L748 HydrophobicContact CE2-CD1 4.33Å; Y523-L748 WeakPolarHBondContact OH-CB 3.41Å; Y523-R749 WeakPolarHBondContact OH-CA 3.15Å; Y523-R749 PolarHBondContact OH-N 3.39Å; Y523-T752 HydrophobicContact CE1-CG2 4Å; Y523-F754 HydrophobicContact CD1-CE1 4.4Å; Y523-F754 AromaticContact CE1-CE1 3.9Å; Y523-F754 HydrophobicContact CE1-CE1 3.9Å; Y523-F754 AromaticContact CE1-CZ 3.84Å; Y523-F754 HydrophobicContact CE1-CZ 3.84Å
524	E	96.8	Very high	96.7	Very high	49 Å²	49	20.2 Å²	20.2	23%	0.229	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-42.5	173.3	-69.3	174.8	138.1	0	0	111.5	F520 E521 M526 I527 E528 F754	F520-E524 HydrophobicContact CD1-CG 3.91Å; F520-E524 HydrophobicContact CE1-CG 3.81Å; F520-E524 PolarHBondContact O-N 3.07Å; E521-E524 PolarHBondContact O-N 3Å; E524-M526 VanDerWaalsContact C-N 3.34Å; E524-M526 PolarHBondContact O-N 2.81Å; E524-I527 WeakPolarHBondContact O-CA 3.08Å; E524-I527 VanDerWaalsContact O-CB 3.24Å; E524-I527 WeakPolarHBondContact O-CB 3.36Å; E524-I527 PolarHBondContact O-N 3.08Å; E524-I527 VanDerWaalsContact O-N 3.13Å; E524-E528 WeakPolarHBondContact O-CG 3.19Å; E524-E528 PolarHBondContact O-N 2.97Å; E524-F754 HydrophobicContact CG-CE1 4.49Å
525	C	97.2	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-42.8	176.1	-67.3	0	0	0	0	112.4	F460 P494 E521 A522 Y523 I527 E528 L529	F460-C525 HydrophobicContact CD2-CB 4.35Å; F460-C525 HydrophobicContact CE2-CB 3.63Å; F460-C525 HydrophobicContact CZ-CB 4.44Å; P494-C525 WeakPolarHBondContact CD-SG 3.36Å; P494-C525 HydrophobicContact CG-CB 4.18Å; E521-C525 WeakPolarHBondContact O-CB 3.43Å; E521-C525 PolarHBondContact O-N 2.88Å; E521-C525 PolarHBondContact O-SG 3.02Å; A522-C525 PolarHBondContact O-N 3.03Å; Y523-C525 PolarHBondContact O-N 3.1Å; C525-I527 VanDerWaalsContact C-N 3.29Å; C525-I527 PolarHBondContact O-N 3.16Å; C525-E528 PolarHBondContact O-N 2.85Å; C525-L529 WeakPolarHBondContact O-CB 3.39Å; C525-L529 WeakPolarHBondContact O-CG 3.21Å; C525-L529 PolarHBondContact O-N 3Å
526	M	96.5	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.4	-42.6	175.1	-78	-71.4	-68.6	0	0	111.6	I516 A522 Y523 E524 L529 V530 M543 M545 C730 I745	I516-M526 HydrophobicContact CB-SD 4.43Å; I516-M526 HydrophobicContact CD1-CG 3.86Å; I516-M526 HydrophobicContact CD1-SD 3.56Å; I516-M526 VanDerWaalsContact CD1-SD 3.56Å; I516-M526 HydrophobicContact CG1-CG 4.48Å; I516-M526 HydrophobicContact CG1-SD 3.93Å; A522-M526 PolarHBondContact O-N 3.32Å; Y523-M526 WeakPolarHBondContact O-CB 3.46Å; Y523-M526 PolarHBondContact O-N 3.13Å; E524-M526 VanDerWaalsContact C-N 3.34Å; E524-M526 PolarHBondContact O-N 2.81Å; M526-L529 PolarHBondContact O-N 3.15Å; M526-V530 VanDerWaalsContact O-CG2 3.28Å; M526-V530 WeakPolarHBondContact O-CG2 3.43Å; M526-V530 PolarHBondContact O-N 3.12Å; M526-M543 HydrophobicContact CE-CB 3.58Å; M526-M543 HydrophobicContact SD-CB 3.79Å; M526-M543 HydrophobicContact SD-SD 4.37Å; M526-M545 HydrophobicContact CE-CB 4.49Å; M526-M545 HydrophobicContact CG-CB 4.06Å; M526-M545 HydrophobicContact CG-CG 4.47Å; M526-M545 HydrophobicContact CG-SD 4.23Å; M526-M545 HydrophobicContact SD-CB 4.48Å; M526-C730 HydrophobicContact CE-CB 3.9Å; M526-I745 HydrophobicContact CB-CD1 4.12Å; M526-I745 HydrophobicContact CB-CG1 4.28Å; M526-I745 HydrophobicContact CB-CG2 3.97Å; M526-I745 HydrophobicContact CE-CD1 4.2Å; M526-I745 HydrophobicContact CE-CG1 3.74Å; M526-I745 HydrophobicContact CG-CD1 4.3Å
527	I	96.5	Very high	96.2	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-57.4	-51.9	175.5	-82.3	171.5	0	0	0	110.8	Y523 E524 C525 L529 V530 E531 I745 R749 F754	Y523-I527 HydrophobicContact CD1-CD1 4.09Å; Y523-I527 HydrophobicContact CD2-CD1 4.49Å; Y523-I527 HydrophobicContact CE1-CD1 3.57Å; Y523-I527 HydrophobicContact CE2-CD1 4.03Å; Y523-I527 HydrophobicContact CE2-CG1 4.43Å; Y523-I527 PolarHBondContact O-N 3.35Å; Y523-I527 VanDerWaalsContact O-N 3.1Å; E524-I527 WeakPolarHBondContact O-CA 3.08Å; E524-I527 VanDerWaalsContact O-CB 3.24Å; E524-I527 WeakPolarHBondContact O-CB 3.36Å; E524-I527 PolarHBondContact O-N 3.08Å; E524-I527 VanDerWaalsContact O-N 3.13Å; C525-I527 VanDerWaalsContact C-N 3.29Å; C525-I527 PolarHBondContact O-N 3.16Å; I527-L529 VanDerWaalsContact C-N 3.34Å; I527-L529 PolarHBondContact O-N 3.04Å; I527-V530 PolarHBondContact O-N 3.07Å; I527-E531 WeakPolarHBondContact O-CG 3.49Å; I527-E531 PolarHBondContact O-N 3.36Å; I527-I745 HydrophobicContact CG1-CG2 3.7Å; I527-R749 HydrophobicContact CD1-CG 3.81Å; I527-R749 HydrophobicContact CG1-CG 4.32Å; I527-R749 VanDerWaalsContact CG2-CZ 3.42Å; I527-R749 PolarHBondContact O-NH2 3.48Å; I527-F754 HydrophobicContact CD1-CE1 3.71Å; I527-F754 HydrophobicContact CD1-CZ 3.65Å
528	E	96.4	Very high	96	Very high	26 Å²	26	36.9 Å²	36.9	12%	0.121	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-40.6	-178.9	-65.7	-177.5	172.6	0	0	111.6	T493 P494 N495 I499 E524 C525 V530 E531 G532	T493-E528 WeakPolarHBondContact CB-OE1 3.48Å; T493-E528 VanDerWaalsContact CB-OE2 3.28Å; T493-E528 WeakPolarHBondContact CB-OE2 3.46Å; T493-E528 PolarHBondContact OG1-OE1 3.21Å; T493-E528 PolarHBondContact OG1-OE2 3.38Å; P494-E528 HydrophobicContact CB-CB 4.46Å; P494-E528 WeakPolarHBondContact CD-OE2 3.43Å; P494-E528 VanDerWaalsContact N-OE2 3.16Å; N495-E528 HydrophobicContact CB-CG 4.44Å; N495-E528 WeakPolarHBondContact CB-OE2 3.35Å; N495-E528 PolarHBondContact N-OE2 2.76Å; N495-E528 VanDerWaalsContact ND2-CD 3.29Å; N495-E528 VanDerWaalsContact ND2-CG 3.25Å; N495-E528 WeakPolarHBondContact ND2-CG 3.27Å; I499-E528 WeakPolarHBondContact CD1-O 3.44Å; E524-E528 WeakPolarHBondContact O-CG 3.19Å; E524-E528 PolarHBondContact O-N 2.97Å; C525-E528 PolarHBondContact O-N 2.85Å; E528-V530 VanDerWaalsContact C-N 3.35Å; E528-V530 PolarHBondContact O-N 2.96Å; E528-E531 PolarHBondContact O-N 2.69Å; E528-G532 PolarHBondContact O-N 3.28Å
529	L	96.9	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-38	176.9	-69.2	172.1	0	0	0	112.2	F460 P494 V502 F506 L514 I516 C525 M526 I527 G532 L539 M543	F460-L529 HydrophobicContact CE1-CD1 4.35Å; F460-L529 HydrophobicContact CZ-CD1 3.87Å; P494-L529 HydrophobicContact CB-CD2 4.27Å; P494-L529 HydrophobicContact CG-CD2 4.02Å; P494-L529 HydrophobicContact CG-CG 4.08Å; V502-L529 HydrophobicContact CG1-CD2 4.11Å; F506-L529 HydrophobicContact CZ-CD1 4.47Å; F506-L529 HydrophobicContact CZ-CD2 4.34Å; L514-L529 HydrophobicContact CD2-CD1 3.9Å; I516-L529 HydrophobicContact CD1-CD1 3.81Å; C525-L529 WeakPolarHBondContact O-CB 3.39Å; C525-L529 WeakPolarHBondContact O-CG 3.21Å; C525-L529 PolarHBondContact O-N 3Å; M526-L529 PolarHBondContact O-N 3.15Å; I527-L529 VanDerWaalsContact C-N 3.34Å; I527-L529 PolarHBondContact O-N 3.04Å; L529-G532 PolarHBondContact O-N 3.34Å; L529-L539 HydrophobicContact CD2-CD1 4.3Å; L529-L539 HydrophobicContact CD2-CD2 3.97Å; L529-M543 HydrophobicContact CB-CE 4.26Å; L529-M543 HydrophobicContact CB-SD 3.98Å; L529-M543 HydrophobicContact CD1-CE 4.49Å; L529-M543 HydrophobicContact CD1-SD 3.95Å
530	V	95.8	Very high	95.9	Very high	14 Å²	14	36.8 Å²	36.8	9%	0.085	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-44.5	175.7	171.6	0	0	0	0	111	M526 I527 E528 G532 R533 H727 C730 M746	M526-V530 VanDerWaalsContact O-CG2 3.28Å; M526-V530 WeakPolarHBondContact O-CG2 3.43Å; M526-V530 PolarHBondContact O-N 3.12Å; I527-V530 PolarHBondContact O-N 3.07Å; E528-V530 VanDerWaalsContact C-N 3.35Å; E528-V530 PolarHBondContact O-N 2.96Å; V530-G532 VanDerWaalsContact C-N 3.27Å; V530-G532 PolarHBondContact O-N 3.42Å; V530-R533 VanDerWaalsContact O-CB 3.28Å; V530-R533 WeakPolarHBondContact O-CB 3.26Å; V530-R533 WeakPolarHBondContact O-CG 3.41Å; V530-R533 PolarHBondContact O-N 2.93Å; V530-H727 HydrophobicContact CG1-CB 3.82Å; V530-C730 HydrophobicContact CG2-CB 3.74Å; V530-C730 WeakPolarHBondContact CG2-SG 3.42Å; V530-M746 HydrophobicContact CB-SD 4.14Å; V530-M746 HydrophobicContact CG1-CE 4.43Å; V530-M746 HydrophobicContact CG1-CG 3.92Å; V530-M746 HydrophobicContact CG1-SD 3.71Å
531	E	94.6	Very high	95.9	Very high	98 Å²	98	37 Å²	37	46%	0.458	18%	0.178	S	C	.	.	H	α-helix	trans	-64.2	-33.8	176.8	-71.3	175.8	170	0	0	112.4	I527 E528 R533 R749	I527-E531 WeakPolarHBondContact O-CG 3.49Å; I527-E531 PolarHBondContact O-N 3.36Å; E528-E531 PolarHBondContact O-N 2.69Å; E531-R533 PolarHBondContact O-N 3.1Å; E531-R749 VanDerWaalsContact CD-NH2 3.26Å; E531-R749 IonicContact OE1-CZ 2.68Å; E531-R749 IonicContact OE1-NH1 3.21Å; E531-R749 PolarHBondContact OE1-NH1 2.89Å; E531-R749 IonicContact OE1-NH2 3.92Å; E531-R749 PolarHBondContact OE1-NH2 3.41Å
532	G	95.1	Very high	95.9	Very high	6 Å²	6	36.2 Å²	36.2	6%	0.062	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-18.7	176.3	0	0	0	0	0	114.6	E528 L529 V530 E534 K535 Y536	E528-G532 PolarHBondContact O-N 3.28Å; L529-G532 PolarHBondContact O-N 3.34Å; V530-G532 VanDerWaalsContact C-N 3.27Å; V530-G532 PolarHBondContact O-N 3.42Å; G532-E534 PolarHBondContact O-N 3.38Å; G532-K535 PolarHBondContact O-N 3.35Å; G532-Y536 WeakPolarHBondContact O-CD2 3.37Å; G532-Y536 PolarHBondContact O-N 2.87Å
533	R	95.1	Very high	95.9	Very high	15 Å²	15	36.2 Å²	36.2	6%	0.057	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.4	-174.5	-71.2	177.8	174.9	-150.3	-10.3	114.5	V530 E531 K535 L539 I541 T724 G726 C730	V530-R533 VanDerWaalsContact O-CB 3.28Å; V530-R533 WeakPolarHBondContact O-CB 3.26Å; V530-R533 WeakPolarHBondContact O-CG 3.41Å; V530-R533 PolarHBondContact O-N 2.93Å; E531-R533 PolarHBondContact O-N 3.1Å; R533-K535 VanDerWaalsContact C-N 3.25Å; R533-K535 PolarHBondContact O-N 3.43Å; R533-L539 HydrophobicContact CG-CB 4.07Å; R533-L539 PolarHBondContact NE-O 2.98Å; R533-L539 PolarHBondContact NH2-O 3.38Å; R533-I541 PolarHBondContact NH2-O 3.23Å; R533-T724 PolarHBondContact NH1-O 3.45Å; R533-G726 PolarHBondContact NH1-O 2.94Å; R533-C730 VanDerWaalsContact CZ-SG 3.53Å; R533-C730 PolarHBondContact NH2-SG 3.39Å
534	E	91.5	Very high	95.9	Very high	182 Å²	182	36.2 Å²	36.2	85%	0.85	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.5	178.3	-169.6	-178.4	-179.7	0	0	111.7	G532	G532-E534 PolarHBondContact O-N 3.38Å
535	K	94.9	Very high	96	Very high	163 Å²	163	33.9 Å²	33.9	71%	0.709	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-30.1	-176.3	-66.6	178	-177.4	172.4	0	113.2	G532 R533	G532-K535 PolarHBondContact O-N 3.35Å; R533-K535 VanDerWaalsContact C-N 3.25Å; R533-K535 PolarHBondContact O-N 3.43Å
536	Y	96.3	Very high	96.1	Very high	58 Å²	58	33.9 Å²	33.9	23%	0.227	16%	0.163	C	C	.	.			trans	-124.1	93.3	-171.7	-56.1	-75	0	0	0	110.4	I499 D500 A503 G532 E538 L539	I499-Y536 HydrophobicContact CG2-CD2 4.45Å; I499-Y536 HydrophobicContact CG2-CE2 3.67Å; D500-Y536 HydrophobicContact CB-CE1 3.97Å; D500-Y536 WeakPolarHBondContact CB-OH 3.44Å; A503-Y536 HydrophobicContact CB-CD1 3.71Å; A503-Y536 HydrophobicContact CB-CD2 4.48Å; A503-Y536 HydrophobicContact CB-CE1 4.48Å; A503-Y536 HydrophobicContact CB-CG 3.72Å; G532-Y536 WeakPolarHBondContact O-CD2 3.37Å; G532-Y536 PolarHBondContact O-N 2.87Å; Y536-E538 PolarHBondContact O-N 3.01Å; Y536-E538 VanDerWaalsContact O-N 3.13Å; Y536-L539 HydrophobicContact CD2-CD1 4.31Å; Y536-L539 HydrophobicContact CG-CD1 4.48Å; Y536-L539 WeakPolarHBondContact O-CB 3.37Å; Y536-L539 PolarHBondContact O-N 2.74Å
537	P	93.9	Very high	96.1	Very high	77 Å²	77	33.9 Å²	33.9	50%	0.5	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-57.2	-26.9	-179.2	-27.1	35.4	0	0	0	114.6	L539 C540	P537-L539 PolarHBondContact O-N 3.24Å; P537-C540 WeakPolarHBondContact O-CB 3.41Å; P537-C540 PolarHBondContact O-N 2.96Å
538	E	94.1	Very high	96.2	Very high	51 Å²	51	33.2 Å²	33.2	24%	0.238	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-63	-18.3	173.3	53.1	-96.2	-145.7	0	0	114.4	A503 K507 Y536 C540	A503-E538 HydrophobicContact CB-CG 3.7Å; A503-E538 WeakPolarHBondContact CB-OE1 3.35Å; A503-E538 WeakPolarHBondContact O-CG 3.38Å; K507-E538 HydrophobicContact CB-CB 4.18Å; Y536-E538 PolarHBondContact O-N 3.01Å; Y536-E538 VanDerWaalsContact O-N 3.13Å; E538-C540 VanDerWaalsContact C-N 3.33Å
539	L	96.5	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-85.6	-7.7	172.6	-57.2	-176.3	0	0	0	112.3	I499 A503 F506 L529 R533 Y536 P537 I541 M543	I499-L539 HydrophobicContact CD1-CD1 4.12Å; I499-L539 HydrophobicContact CG1-CD1 4.14Å; A503-L539 HydrophobicContact CB-CD1 4.49Å; A503-L539 HydrophobicContact CB-CD2 4.19Å; A503-L539 HydrophobicContact CB-CG 4.24Å; F506-L539 HydrophobicContact CD1-CD2 3.76Å; F506-L539 HydrophobicContact CE1-CD2 4Å; F506-L539 HydrophobicContact CG-CD2 4.07Å; F506-L539 HydrophobicContact CZ-CD2 4.49Å; L529-L539 HydrophobicContact CD2-CD1 4.3Å; L529-L539 HydrophobicContact CD2-CD2 3.97Å; R533-L539 HydrophobicContact CG-CB 4.07Å; R533-L539 PolarHBondContact NE-O 2.98Å; R533-L539 PolarHBondContact NH2-O 3.38Å; Y536-L539 HydrophobicContact CD2-CD1 4.31Å; Y536-L539 HydrophobicContact CG-CD1 4.48Å; Y536-L539 WeakPolarHBondContact O-CB 3.37Å; Y536-L539 PolarHBondContact O-N 2.74Å; P537-L539 PolarHBondContact O-N 3.24Å; L539-I541 PolarHBondContact O-N 2.9Å; L539-M543 HydrophobicContact CB-CE 4.48Å; L539-M543 WeakPolarHBondContact O-CE 2.98Å
540	C	96.5	Very high	96.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	16%	0.16	C	C	.	.			trans	-78.8	53.8	178.2	-61.2	0	0	0	0	111.6	P537 E538 Y723 T724	P537-C540 WeakPolarHBondContact O-CB 3.41Å; P537-C540 PolarHBondContact O-N 2.96Å; E538-C540 VanDerWaalsContact C-N 3.33Å; C540-Y723 HydrophobicContact CB-CD2 3.57Å; C540-Y723 HydrophobicContact CB-CE2 3.48Å; C540-Y723 VanDerWaalsContact CB-CE2 3.48Å; C540-Y723 HydrophobicContact CB-CG 4.37Å; C540-Y723 CarbonylContact O-C 3.54Å; C540-Y723 VanDerWaalsContact O-CA 3.31Å; C540-Y723 WeakPolarHBondContact O-CA 3.3Å; C540-T724 CarbonylContact C-O 3.56Å; C540-T724 PolarHBondContact O-N 2.84Å; C540-T724 PolarHBondContact O-OG1 3.47Å
541	I	96.4	Very high	96.4	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	16%	0.162	C	C	.	.	S	Bend	trans	-119.1	154.4	176	60.4	176.2	0	0	0	110.4	F506 L511 L514 R533 L539 M543 T724	F506-I541 HydrophobicContact CD1-CD1 3.82Å; F506-I541 HydrophobicContact CE1-CD1 3.97Å; L511-I541 HydrophobicContact CB-CD1 3.91Å; L514-I541 HydrophobicContact CB-CD1 4.47Å; R533-I541 PolarHBondContact NH2-O 3.23Å; L539-I541 PolarHBondContact O-N 2.9Å; I541-M543 HydrophobicContact CD1-CE 4.49Å; I541-M543 HydrophobicContact CG1-CE 3.78Å; I541-M543 HydrophobicContact CG1-CG 4.42Å; I541-M543 WeakPolarHBondContact O-CG 3.34Å; I541-M543 PolarHBondContact O-N 3.24Å; I541-T724 WeakPolarHBondContact CA-OG1 3.43Å
542	P	97.6	Very high	96.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.142	C	C	.	.			trans	-58.2	133.8	174	-26	35.2	0	0	0	112	S512 G513 L514 W707 L708 Q711 I712 V722 T724 C729	S512-P542 WeakPolarHBondContact O-CD 3.29Å; G513-P542 CarbonylContact C-O 3.47Å; G513-P542 VanDerWaalsContact CA-O 3.24Å; G513-P542 WeakPolarHBondContact CA-O 3.24Å; L514-P542 PolarHBondContact N-O 3.25Å; P542-W707 HydrophobicContact CB-CZ3 4.31Å; P542-L708 HydrophobicContact CB-CD2 3.76Å; P542-L708 WeakPolarHBondContact O-CD2 3.42Å; P542-Q711 HydrophobicContact CB-CB 3.68Å; P542-Q711 HydrophobicContact CG-CB 3.7Å; P542-I712 HydrophobicContact CG-CG1 4.08Å; P542-V722 HydrophobicContact CG-CG1 4.02Å; P542-T724 WeakPolarHBondContact CD-OG1 3.32Å; P542-T724 HydrophobicContact CG-CG2 3.93Å; P542-C729 WeakPolarHBondContact CA-O 3.33Å
543	M	98.2	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.5	178.7	-52.7	-177.9	-175.6	0	0	110.8	F506 L514 M526 L529 L539 I541 W707 C729 C730 T731	F506-M543 HydrophobicContact CE1-CE 4.12Å; L514-M543 HydrophobicContact CB-CB 4.47Å; L514-M543 HydrophobicContact CB-CG 4.06Å; L514-M543 HydrophobicContact CD2-CG 4.48Å; L514-M543 HydrophobicContact CD2-SD 4.21Å; L514-M543 CarbonylContact O-C 3.59Å; L514-M543 VanDerWaalsContact O-CA 3.32Å; L514-M543 WeakPolarHBondContact O-CA 3.3Å; M526-M543 HydrophobicContact CE-CB 3.58Å; M526-M543 HydrophobicContact SD-CB 3.79Å; M526-M543 HydrophobicContact SD-SD 4.37Å; L529-M543 HydrophobicContact CB-CE 4.26Å; L529-M543 HydrophobicContact CB-SD 3.98Å; L529-M543 HydrophobicContact CD1-CE 4.49Å; L529-M543 HydrophobicContact CD1-SD 3.95Å; L539-M543 HydrophobicContact CB-CE 4.48Å; L539-M543 WeakPolarHBondContact O-CE 2.98Å; I541-M543 HydrophobicContact CD1-CE 4.49Å; I541-M543 HydrophobicContact CG1-CE 3.78Å; I541-M543 HydrophobicContact CG1-CG 4.42Å; I541-M543 WeakPolarHBondContact O-CG 3.34Å; I541-M543 PolarHBondContact O-N 3.24Å; M543-W707 WeakPolarHBondContact O-CZ3 3.47Å; M543-C729 PolarHBondContact N-O 2.7Å; M543-C730 VanDerWaalsContact O-CA 3.31Å; M543-C730 WeakPolarHBondContact O-CA 3.23Å; M543-T731 PolarHBondContact O-N 2.98Å
544	A	98.1	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.3	173.7	0	0	0	0	0	109.9	L514 L515 I516 W707 L708 T731 I733	L514-A544 PolarHBondContact O-N 2.85Å; L515-A544 WeakPolarHBondContact CA-O 3.45Å; L515-A544 HydrophobicContact CD1-CB 4.14Å; I516-A544 PolarHBondContact N-O 2.91Å; A544-W707 HydrophobicContact CB-CE3 4.08Å; A544-W707 HydrophobicContact CB-CZ3 4.18Å; A544-L708 HydrophobicContact CB-CD1 4.16Å; A544-L708 HydrophobicContact CB-CD2 4.3Å; A544-L708 HydrophobicContact CB-CG 4.06Å; A544-T731 CarbonylContact C-O 3.3Å; A544-T731 WeakPolarHBondContact CA-O 3.47Å; A544-T731 HydrophobicContact CB-CG2 4.27Å; A544-I733 HydrophobicContact CB-CD1 4.08Å
545	M	98	Very high	97	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.6	173.9	-178.6	-178.6	166.4	0	0	110.7	I516 G518 G519 A522 Y523 M526 V554 T731 L732 I733 I745	I516-M545 CarbonylContact O-C 3.59Å; I516-M545 VanDerWaalsContact O-CA 3.24Å; I516-M545 WeakPolarHBondContact O-CA 3.4Å; G518-M545 WeakPolarHBondContact O-CE 2.9Å; G519-M545 WeakPolarHBondContact O-CE 3.39Å; A522-M545 HydrophobicContact CB-CE 3.72Å; A522-M545 HydrophobicContact CB-SD 4.35Å; Y523-M545 VanDerWaalsContact CA-SD 3.55Å; Y523-M545 HydrophobicContact CD2-SD 4.39Å; M526-M545 HydrophobicContact CE-CB 4.49Å; M526-M545 HydrophobicContact CG-CB 4.06Å; M526-M545 HydrophobicContact CG-CG 4.47Å; M526-M545 HydrophobicContact CG-SD 4.23Å; M526-M545 HydrophobicContact SD-CB 4.48Å; M545-V554 HydrophobicContact CE-CG1 3.84Å; M545-T731 PolarHBondContact N-O 3.28Å; M545-L732 HydrophobicContact CE-CD1 4.22Å; M545-L732 HydrophobicContact CG-CD1 4.5Å; M545-L732 HydrophobicContact SD-CD1 3.87Å; M545-I733 PolarHBondContact O-N 3.07Å; M545-I745 HydrophobicContact CB-CD1 4.35Å; M545-I745 HydrophobicContact SD-CD1 4.28Å
546	V	98.5	Very high	96.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118	167.4	175.8	0	0	0	0	109	V438 L515 I516 I517 G518 A548 L561 F700 A704	V438-V546 HydrophobicContact CG1-CG2 4.26Å; V438-V546 HydrophobicContact CG2-CG1 4.03Å; L515-V546 HydrophobicContact CD1-CG2 3.96Å; I516-V546 PolarHBondContact O-N 3.36Å; I517-V546 WeakPolarHBondContact CA-O 3.05Å; I517-V546 HydrophobicContact CG1-CB 4.4Å; I517-V546 HydrophobicContact CG2-CB 4.37Å; I517-V546 HydrophobicContact CG2-CG1 4.47Å; G518-V546 PolarHBondContact N-O 2.98Å; V546-A548 PolarHBondContact O-N 2.81Å; V546-L561 HydrophobicContact CG1-CD1 3.62Å; V546-L561 HydrophobicContact CG1-CG 4.47Å; V546-F700 HydrophobicContact CG1-CB 4Å; V546-F700 HydrophobicContact CG1-CD2 3.6Å; V546-F700 HydrophobicContact CG1-CE2 4.4Å; V546-F700 HydrophobicContact CG1-CG 4.18Å; V546-F700 HydrophobicContact CG2-CB 4.13Å; V546-A704 HydrophobicContact CG2-CB 4.48Å
547	P	98.2	Very high	96.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.5	-179.2	28.2	-32.8	0	0	0	110.9	G518 V554 T557 L561 L732 I733	G518-P547 CarbonylContact O-C 3.6Å; G518-P547 WeakPolarHBondContact O-CA 3.5Å; P547-V554 HydrophobicContact CB-CB 3.99Å; P547-V554 HydrophobicContact CB-CG1 3.97Å; P547-V554 HydrophobicContact CB-CG2 4.29Å; P547-T557 HydrophobicContact CB-CG2 3.94Å; P547-T557 HydrophobicContact CG-CG2 3.61Å; P547-L561 PolarHBondContact O-N 2.79Å; P547-L732 HydrophobicContact CG-CD2 4.29Å; P547-I733 WeakPolarHBondContact CD-O 2.9Å
548	A	98.3	Very high	96.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-141.1	105.7	-179.7	0	0	0	0	0	110.9	A432 I435 I517 G518 G519 V546 L561	A432-A548 HydrophobicContact CB-CB 4.38Å; I435-A548 HydrophobicContact CD1-CB 3.96Å; I435-A548 HydrophobicContact CG1-CB 3.62Å; I517-A548 HydrophobicContact CG2-CB 3.78Å; G518-A548 CarbonylContact C-O 3.41Å; G518-A548 PolarHBondContact O-N 3.17Å; G519-A548 WeakPolarHBondContact CA-O 3.26Å; G519-A548 PolarHBondContact N-O 3Å; V546-A548 PolarHBondContact O-N 2.81Å; A548-L561 CarbonylContact C-O 3.59Å; A548-L561 WeakPolarHBondContact CA-O 3.42Å; A548-L561 HydrophobicContact CB-CB 3.92Å; A548-L561 HydrophobicContact CB-CD1 4.49Å
549	T	98	Very high	97	Very high	14 Å²	14	7.8 Å²	7.8	9%	0.086	5%	0.047	C	C	.	.			trans	-164.8	146.2	178.8	174.3	0	0	0	0	108.8	S551 N553 V554 S560 L561	T549-S551 PolarHBondContact O-N 2.92Å; T549-S551 PolarHBondContact OG1-N 3.35Å; T549-N553 WeakPolarHBondContact CG2-OD1 3.41Å; T549-V554 HydrophobicContact CG2-CG2 3.82Å; T549-S560 VanDerWaalsContact CG2-OG 3.31Å; T549-S560 WeakPolarHBondContact CG2-OG 3.47Å; T549-S560 PolarHBondContact O-OG 3.13Å; T549-L561 CarbonylContact C-O 3.54Å; T549-L561 PolarHBondContact N-O 3.37Å; T549-L561 VanDerWaalsContact O-O 3.12Å
550	I	98	Very high	97.1	Very high	9 Å²	9	7.8 Å²	7.8	5%	0.046	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.9	173.6	64.6	169.5	0	0	0	112.1	N552 A566 M594 L601 Q684 Q685	I550-N552 VanDerWaalsContact C-N 3.29Å; I550-N552 PolarHBondContact O-N 3.33Å; I550-A566 HydrophobicContact CB-CB 3.67Å; I550-A566 HydrophobicContact CG2-CB 3.79Å; I550-M594 HydrophobicContact CD1-CB 4.1Å; I550-M594 HydrophobicContact CD1-CE 4.42Å; I550-M594 HydrophobicContact CD1-SD 4.11Å; I550-L601 HydrophobicContact CB-CD1 4.35Å; I550-L601 HydrophobicContact CD1-CD1 4.26Å; I550-L601 HydrophobicContact CG1-CD1 4.23Å; I550-L601 WeakPolarHBondContact O-CD1 3.31Å; I550-L601 WeakPolarHBondContact O-CD2 3.5Å; I550-L601 WeakPolarHBondContact O-CG 3.41Å; I550-Q684 HydrophobicContact CD1-CB 4.17Å; I550-Q685 HydrophobicContact CD1-CG 4.29Å; I550-Q685 HydrophobicContact CG2-CG 4.45Å
551	S	98	Very high	97.1	Very high	18 Å²	18	7.7 Å²	7.7	13%	0.126	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20	-172.8	-51.9	0	0	0	0	113.8	T549 N553 G595 C598	T549-S551 PolarHBondContact O-N 2.92Å; T549-S551 PolarHBondContact OG1-N 3.35Å; S551-N553 VanDerWaalsContact C-N 3.27Å; S551-N553 PolarHBondContact O-N 2.63Å; S551-G595 WeakPolarHBondContact OG-CA 3.36Å; S551-C598 PolarHBondContact O-SG 2.93Å
552	N	97.8	Very high	97.2	Very high	6 Å²	6	7.4 Å²	7.4	3%	0.032	5%	0.045	C	C	.	.			trans	56.3	37.1	-171.6	-156.8	33.9	0	0	0	114.6	I550 D558 F559 S560 C563 Y600	I550-N552 VanDerWaalsContact C-N 3.29Å; I550-N552 PolarHBondContact O-N 3.33Å; N552-D558 PolarHBondContact ND2-O 2.83Å; N552-D558 PolarHBondContact OD1-O 3.21Å; N552-F559 VanDerWaalsContact OD1-CA 3.29Å; N552-F559 WeakPolarHBondContact OD1-CA 3.32Å; N552-S560 VanDerWaalsContact CA-OG 3.29Å; N552-S560 WeakPolarHBondContact CA-OG 3.42Å; N552-S560 PolarHBondContact OD1-N 2.95Å; N552-S560 PolarHBondContact OD1-OG 3.35Å; N552-C563 HydrophobicContact CB-CB 3.99Å; N552-Y600 HydrophobicContact CB-CD1 3.64Å; N552-Y600 HydrophobicContact CB-CD2 4.25Å; N552-Y600 HydrophobicContact CB-CE1 4.04Å; N552-Y600 HydrophobicContact CB-CG 3.78Å; N552-Y600 WeakPolarHBondContact ND2-CE2 3.49Å
553	N	97.3	Very high	97.2	Very high	16 Å²	16	7.4 Å²	7.4	9%	0.086	5%	0.045	C	C	.	.			trans	-103.9	14.1	-172.3	74.7	-47	0	0	0	114.4	F520 T549 S551 C598 R757 L758	F520-N553 WeakPolarHBondContact CD2-O 3.43Å; T549-N553 WeakPolarHBondContact CG2-OD1 3.41Å; S551-N553 VanDerWaalsContact C-N 3.27Å; S551-N553 PolarHBondContact O-N 2.63Å; N553-C598 HydrophobicContact CB-CB 3.81Å; N553-R757 PolarHBondContact ND2-O 2.9Å; N553-L758 HydrophobicContact CB-CD2 4.33Å
554	V	96.9	Very high	97.2	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	5%	0.048	C	C	.	.			trans	-94	128.2	-179.2	-175.4	0	0	0	0	109.7	M545 P547 T549 L732	M545-V554 HydrophobicContact CE-CG1 3.84Å; P547-V554 HydrophobicContact CB-CB 3.99Å; P547-V554 HydrophobicContact CB-CG1 3.97Å; P547-V554 HydrophobicContact CB-CG2 4.29Å; T549-V554 HydrophobicContact CG2-CG2 3.82Å; V554-L732 HydrophobicContact CG1-CD1 3.66Å
555	P	95.7	Very high	97.2	Very high	3 Å²	3	8 Å²	8	2%	0.019	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	153.3	179.6	30.1	-39.1	0	0	0	112.5	Y523 L732 L748 T752 P759	Y523-P555 HydrophobicContact CD1-CG 4.06Å; Y523-P555 HydrophobicContact CE1-CG 3.8Å; Y523-P555 HydrophobicContact CE2-CG 4.28Å; Y523-P555 HydrophobicContact CG-CG 4.42Å; P555-L732 WeakPolarHBondContact O-CD1 3.1Å; P555-L748 HydrophobicContact CB-CB 4.5Å; P555-L748 HydrophobicContact CB-CD2 4.43Å; P555-L748 HydrophobicContact CG-CB 4.45Å; P555-T752 HydrophobicContact CG-CG2 4.49Å; P555-T752 WeakPolarHBondContact CG-OG1 3.36Å; P555-P759 HydrophobicContact CB-CB 4.28Å
556	G	93.9	Very high	97.3	Very high	19 Å²	19	8 Å²	8	20%	0.196	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	3.1	174.6	0	0	0	0	0	115.8	T741	G556-T741 PolarHBondContact O-OG1 3.28Å
557	T	95.3	Very high	97.3	Very high	16 Å²	16	8.2 Å²	8.2	10%	0.098	5%	0.05	C	C	.	.			trans	-139.8	146.4	172.5	-165.2	0	0	0	0	110.9	P547 F559 G734 I735	P547-T557 HydrophobicContact CB-CG2 3.94Å; P547-T557 HydrophobicContact CG-CG2 3.61Å; T557-F559 VanDerWaalsContact C-N 3.34Å; T557-F559 WeakPolarHBondContact CG2-O 3.46Å; T557-F559 PolarHBondContact OG1-N 2.97Å; T557-F559 PolarHBondContact OG1-O 2.9Å; T557-G734 WeakPolarHBondContact OG1-CA 3.42Å; T557-I735 PolarHBondContact OG1-N 2.9Å; T557-I735 PolarHBondContact OG1-O 3.5Å
558	D	94.4	Very high	97.3	Very high	23 Å²	23	9.5 Å²	9.5	12%	0.123	6%	0.056	C	C	.	.	S	Bend	trans	-78.7	-23.8	170.2	-71.7	-11.3	0	0	0	111.7	N552 I735 R737 W763	N552-D558 PolarHBondContact ND2-O 2.83Å; N552-D558 PolarHBondContact OD1-O 3.21Å; D558-I735 WeakPolarHBondContact CB-O 3.26Å; D558-I735 PolarHBondContact N-O 2.82Å; D558-R737 PolarHBondContact OD2-N 2.99Å; D558-W763 PolarHBondContact O-NE1 3.48Å
559	F	96	Very high	97.2	Very high	30 Å²	30	12.5 Å²	12.5	13%	0.132	7%	0.071	C	C	.	.			trans	-140.1	121.4	-176.8	-58	-78.4	0	0	0	111	N357 N552 T557 F692 L696 W763	N357-F559 HydrophobicContact CB-CE2 4.12Å; N357-F559 HydrophobicContact CB-CZ 4.3Å; N357-F559 WeakPolarHBondContact ND2-CZ 3.4Å; N552-F559 VanDerWaalsContact OD1-CA 3.29Å; N552-F559 WeakPolarHBondContact OD1-CA 3.32Å; T557-F559 VanDerWaalsContact C-N 3.34Å; T557-F559 WeakPolarHBondContact CG2-O 3.46Å; T557-F559 PolarHBondContact OG1-N 2.97Å; T557-F559 PolarHBondContact OG1-O 2.9Å; F559-F692 HydrophobicContact CB-CE1 4.34Å; F559-F692 HydrophobicContact CB-CZ 4.37Å; F559-F692 HydrophobicContact CD2-CZ 4.49Å; F559-F692 HydrophobicContact CG-CE1 4.48Å; F559-F692 HydrophobicContact CG-CZ 4.24Å; F559-L696 HydrophobicContact CB-CD2 4.47Å; F559-W763 HydrophobicContact CE1-CH2 4.32Å; F559-W763 AromaticContact CE1-CZ2 3.64Å; F559-W763 HydrophobicContact CE1-CZ2 3.64Å; F559-W763 HydrophobicContact CZ-CH2 4.27Å; F559-W763 AromaticContact CZ-CZ2 3.74Å; F559-W763 HydrophobicContact CZ-CZ2 3.74Å
560	S	97.5	Very high	97.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.			trans	-92.1	151.2	164.3	59.9	0	0	0	0	111.1	T549 N552 G562 C563	T549-S560 VanDerWaalsContact CG2-OG 3.31Å; T549-S560 WeakPolarHBondContact CG2-OG 3.47Å; T549-S560 PolarHBondContact O-OG 3.13Å; N552-S560 VanDerWaalsContact CA-OG 3.29Å; N552-S560 WeakPolarHBondContact CA-OG 3.42Å; N552-S560 PolarHBondContact OD1-N 2.95Å; N552-S560 PolarHBondContact OD1-OG 3.35Å; S560-G562 PolarHBondContact O-N 3.29Å; S560-C563 PolarHBondContact O-N 3.49Å; S560-C563 PolarHBondContact O-SG 2.81Å
561	L	98.2	Very high	97.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-60	134.8	174.7	-66.4	170.6	0	0	0	111.3	C433 V438 V546 P547 A548 T549 L696 F700	C433-L561 CarbonylContact O-C 3.49Å; V438-L561 HydrophobicContact CG2-CD1 3.26Å; V546-L561 HydrophobicContact CG1-CD1 3.62Å; V546-L561 HydrophobicContact CG1-CG 4.47Å; P547-L561 PolarHBondContact O-N 2.79Å; A548-L561 CarbonylContact C-O 3.59Å; A548-L561 WeakPolarHBondContact CA-O 3.42Å; A548-L561 HydrophobicContact CB-CB 3.92Å; A548-L561 HydrophobicContact CB-CD1 4.49Å; T549-L561 CarbonylContact C-O 3.54Å; T549-L561 PolarHBondContact N-O 3.37Å; T549-L561 VanDerWaalsContact O-O 3.12Å; L561-L696 HydrophobicContact CD2-CB 3.83Å; L561-L696 HydrophobicContact CD2-CD2 3.87Å; L561-L696 HydrophobicContact CD2-CG 3.7Å; L561-F700 HydrophobicContact CD1-CD2 4.33Å; L561-F700 HydrophobicContact CD2-CD2 4.42Å; L561-F700 HydrophobicContact CG-CD2 4.28Å
562	G	97.8	Very high	97.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	-14	177.2	0	0	0	0	0	113.8	C433 S560 D564 A566 D693	C433-G562 VanDerWaalsContact O-CA 3.3Å; C433-G562 WeakPolarHBondContact O-CA 3.48Å; C433-G562 PolarHBondContact O-N 2.79Å; S560-G562 PolarHBondContact O-N 3.29Å; G562-D564 VanDerWaalsContact C-N 3.35Å; G562-A566 WeakPolarHBondContact O-CB 3.21Å; G562-A566 PolarHBondContact O-N 3.33Å; G562-D693 WeakPolarHBondContact CA-OD2 3.38Å; G562-D693 PolarHBondContact N-OD1 2.83Å; G562-D693 PolarHBondContact N-OD2 2.95Å
563	C	97.7	Very high	97.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.3	-35.5	-179.3	75.3	0	0	0	0	112	N552 S560 L567 Y600	N552-C563 HydrophobicContact CB-CB 3.99Å; S560-C563 PolarHBondContact O-N 3.49Å; S560-C563 PolarHBondContact O-SG 2.81Å; C563-L567 VanDerWaalsContact O-CB 3.24Å; C563-L567 WeakPolarHBondContact O-CB 3.22Å; C563-L567 PolarHBondContact O-N 3.2Å; C563-Y600 HydrophobicContact CB-CE1 3.85Å
564	D	98.3	Very high	97.1	Very high	11 Å²	11	12.9 Å²	12.9	6%	0.059	8%	0.075	C	C	.	.	H	α-helix	trans	-72.9	-41.1	177.4	178	72	0	0	0	111.9	G562 A566 L567 N568 S690 F692	G562-D564 VanDerWaalsContact C-N 3.35Å; D564-A566 VanDerWaalsContact C-N 3.33Å; D564-A566 PolarHBondContact O-N 3.48Å; D564-L567 PolarHBondContact O-N 2.92Å; D564-N568 PolarHBondContact O-N 2.85Å; D564-N568 PolarHBondContact O-ND2 2.92Å; D564-N568 PolarHBondContact OD1-ND2 2.94Å; D564-N568 PolarHBondContact OD2-ND2 3.47Å; D564-S690 WeakPolarHBondContact OD2-CB 3.34Å; D564-S690 PolarHBondContact OD2-OG 3.43Å; D564-F692 HydrophobicContact CB-CB 4.29Å; D564-F692 HydrophobicContact CB-CD1 3.63Å; D564-F692 HydrophobicContact CB-CE1 4.38Å; D564-F692 HydrophobicContact CB-CG 4.28Å
565	T	98.6	Very high	97	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-58.2	-48.2	171.9	-57.4	0	0	0	0	110.6	C433 L567 N568 E569 P689 S690 D693	C433-T565 HydrophobicContact CB-CG2 3.87Å; C433-T565 WeakPolarHBondContact CB-OG1 3.4Å; T565-L567 VanDerWaalsContact C-N 3.35Å; T565-L567 PolarHBondContact O-N 2.75Å; T565-N568 PolarHBondContact O-N 2.91Å; T565-E569 WeakPolarHBondContact O-CG 3.5Å; T565-E569 PolarHBondContact O-N 2.72Å; T565-P689 WeakPolarHBondContact OG1-CA 3.32Å; T565-S690 PolarHBondContact OG1-N 3.06Å; T565-D693 VanDerWaalsContact CB-OD2 3.29Å; T565-D693 WeakPolarHBondContact CB-OD2 3.49Å; T565-D693 PolarHBondContact N-OD2 3.46Å; T565-D693 PolarHBondContact OG1-OD2 3.31Å
566	A	98.4	Very high	96.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-43.7	178.6	0	0	0	0	0	112.8	I550 G562 D564 N568 E569 I570 L601 Q684	I550-A566 HydrophobicContact CB-CB 3.67Å; I550-A566 HydrophobicContact CG2-CB 3.79Å; G562-A566 WeakPolarHBondContact O-CB 3.21Å; G562-A566 PolarHBondContact O-N 3.33Å; D564-A566 VanDerWaalsContact C-N 3.33Å; D564-A566 PolarHBondContact O-N 3.48Å; A566-N568 VanDerWaalsContact C-N 3.32Å; A566-N568 PolarHBondContact O-N 3.34Å; A566-E569 PolarHBondContact O-N 2.84Å; A566-I570 VanDerWaalsContact O-CG1 3.24Å; A566-I570 WeakPolarHBondContact O-CG1 3.36Å; A566-I570 PolarHBondContact O-N 2.86Å; A566-L601 HydrophobicContact CB-CD2 3.95Å; A566-Q684 WeakPolarHBondContact CA-O 3.4Å; A566-Q684 WeakPolarHBondContact CB-O 3.31Å
567	L	98.3	Very high	96.8	Very high	4 Å²	4	20 Å²	20	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-40.9	177.5	177.6	57.9	0	0	0	111.9	A321 I325 C563 D564 T565 T571 M604 S605	A321-L567 HydrophobicContact CB-CD1 4.25Å; A321-L567 HydrophobicContact CB-CD2 4.06Å; A321-L567 HydrophobicContact CB-CG 3.58Å; I325-L567 HydrophobicContact CD1-CD2 3.81Å; C563-L567 VanDerWaalsContact O-CB 3.24Å; C563-L567 WeakPolarHBondContact O-CB 3.22Å; C563-L567 PolarHBondContact O-N 3.2Å; D564-L567 PolarHBondContact O-N 2.92Å; T565-L567 VanDerWaalsContact C-N 3.35Å; T565-L567 PolarHBondContact O-N 2.75Å; L567-T571 VanDerWaalsContact O-CB 3.25Å; L567-T571 WeakPolarHBondContact O-CB 3.48Å; L567-T571 PolarHBondContact O-N 3.41Å; L567-T571 PolarHBondContact O-OG1 3.27Å; L567-M604 HydrophobicContact CD1-CB 3.73Å; L567-M604 HydrophobicContact CD2-CB 4.1Å; L567-S605 VanDerWaalsContact CD1-OG 3.3Å; L567-S605 WeakPolarHBondContact CD1-OG 3.32Å
568	N	98.4	Very high	96.5	Very high	27 Å²	27	19.6 Å²	19.6	14%	0.144	10%	0.099	C	C	.	.	H	α-helix	trans	-66.9	-41.5	174.8	-82.3	-72.3	0	0	0	112.5	A321 D564 T565 A566 T571 S572	A321-N568 PolarHBondContact N-OD1 3.07Å; D564-N568 PolarHBondContact O-N 2.85Å; D564-N568 PolarHBondContact O-ND2 2.92Å; D564-N568 PolarHBondContact OD1-ND2 2.94Å; D564-N568 PolarHBondContact OD2-ND2 3.47Å; T565-N568 PolarHBondContact O-N 2.91Å; A566-N568 VanDerWaalsContact C-N 3.32Å; A566-N568 PolarHBondContact O-N 3.34Å; N568-T571 PolarHBondContact O-N 3.11Å; N568-S572 WeakPolarHBondContact O-CB 3.3Å; N568-S572 PolarHBondContact O-N 2.96Å
569	E	97.8	Very high	96.2	Very high	63 Å²	63	24.6 Å²	24.6	29%	0.294	12%	0.122	S	C	.	.	H	α-helix	trans	-61.9	-48.6	175.9	-72.4	-59.5	157.2	0	0	111.9	T565 A566 T571 S572 V573	T565-E569 WeakPolarHBondContact O-CG 3.5Å; T565-E569 PolarHBondContact O-N 2.72Å; A566-E569 PolarHBondContact O-N 2.84Å; E569-T571 VanDerWaalsContact C-N 3.33Å; E569-T571 PolarHBondContact O-N 3.19Å; E569-S572 PolarHBondContact O-N 3Å; E569-V573 WeakPolarHBondContact O-CG2 3.25Å; E569-V573 PolarHBondContact O-N 2.93Å
570	I	98.2	Very high	95.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-50.3	176.1	-63.2	161.7	0	0	0	109.2	A566 S572 V573 L574 T593 L601 S605 L680 Q684	A566-I570 VanDerWaalsContact O-CG1 3.24Å; A566-I570 WeakPolarHBondContact O-CG1 3.36Å; A566-I570 PolarHBondContact O-N 2.86Å; I570-S572 VanDerWaalsContact C-N 3.3Å; I570-S572 PolarHBondContact O-N 2.9Å; I570-V573 PolarHBondContact O-N 3.43Å; I570-V573 VanDerWaalsContact O-N 3.07Å; I570-L574 HydrophobicContact CG2-CD1 4.12Å; I570-L574 HydrophobicContact CG2-CG 4.11Å; I570-L574 VanDerWaalsContact O-CG 3.29Å; I570-L574 WeakPolarHBondContact O-CG 3.49Å; I570-L574 PolarHBondContact O-N 2.91Å; I570-T593 HydrophobicContact CD1-CG2 4.2Å; I570-T593 HydrophobicContact CG2-CG2 4.14Å; I570-L601 HydrophobicContact CD1-CB 3.93Å; I570-L601 HydrophobicContact CD1-CD1 4.2Å; I570-L601 HydrophobicContact CD1-CD2 3.98Å; I570-L601 HydrophobicContact CD1-CG 4.26Å; I570-S605 VanDerWaalsContact CG2-CB 3.42Å; I570-S605 VanDerWaalsContact CG2-OG 3.27Å; I570-S605 WeakPolarHBondContact CG2-OG 3.23Å; I570-L680 HydrophobicContact CB-CD1 4.23Å; I570-L680 HydrophobicContact CG1-CD1 3.93Å; I570-L680 HydrophobicContact CG2-CD1 3.78Å; I570-Q684 HydrophobicContact CD1-CG 4.19Å; I570-Q684 HydrophobicContact CG1-CB 4.42Å; I570-Q684 HydrophobicContact CG1-CG 3.71Å
571	T	97.7	Very high	95.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-57.5	-42	-179.3	-61.5	0	0	0	0	112.2	A321 L567 N568 E569 L574 D575 A608	A321-T571 HydrophobicContact CB-CG2 4.3Å; A321-T571 WeakPolarHBondContact CB-OG1 3.21Å; L567-T571 VanDerWaalsContact O-CB 3.25Å; L567-T571 WeakPolarHBondContact O-CB 3.48Å; L567-T571 PolarHBondContact O-N 3.41Å; L567-T571 PolarHBondContact O-OG1 3.27Å; N568-T571 PolarHBondContact O-N 3.11Å; E569-T571 VanDerWaalsContact C-N 3.33Å; E569-T571 PolarHBondContact O-N 3.19Å; T571-L574 PolarHBondContact O-N 3.49Å; T571-D575 PolarHBondContact O-N 3.39Å; T571-A608 HydrophobicContact CG2-CB 4.19Å
572	S	96.6	Very high	94.1	Very high	46 Å²	46	30.9 Å²	30.9	32%	0.322	16%	0.161	S	C	.	.	H	α-helix	trans	-63.2	-42.5	175.2	180	0	0	0	0	112.2	N568 E569 I570 D575 K576	N568-S572 WeakPolarHBondContact O-CB 3.3Å; N568-S572 PolarHBondContact O-N 2.96Å; E569-S572 PolarHBondContact O-N 3Å; I570-S572 VanDerWaalsContact C-N 3.3Å; I570-S572 PolarHBondContact O-N 2.9Å; S572-D575 PolarHBondContact O-N 2.74Å; S572-K576 WeakPolarHBondContact O-CG 3.47Å; S572-K576 PolarHBondContact O-N 2.94Å
573	V	96.6	Very high	93.1	Very high	24 Å²	24	34.3 Å²	34.3	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-41.5	175.2	177.6	0	0	0	0	111.3	E569 I570 D575 K576 I577 L680	E569-V573 WeakPolarHBondContact O-CG2 3.25Å; E569-V573 PolarHBondContact O-N 2.93Å; I570-V573 PolarHBondContact O-N 3.43Å; I570-V573 VanDerWaalsContact O-N 3.07Å; V573-D575 VanDerWaalsContact C-N 3.25Å; V573-D575 PolarHBondContact O-N 3.18Å; V573-K576 WeakPolarHBondContact O-CB 3.4Å; V573-K576 PolarHBondContact O-N 3.38Å; V573-K576 VanDerWaalsContact O-N 3.12Å; V573-I577 HydrophobicContact CG1-CD1 3.76Å; V573-I577 HydrophobicContact CG1-CG1 4.18Å; V573-I577 WeakPolarHBondContact O-CG1 3.2Å; V573-I577 PolarHBondContact O-N 3.36Å; V573-L680 HydrophobicContact CB-CD2 4.23Å; V573-L680 HydrophobicContact CG1-CD2 3.47Å; V573-L680 VanDerWaalsContact CG1-CD2 3.47Å
574	L	96	Very high	91.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-38.6	175.4	-66.1	-178.2	0	0	0	111.5	I570 T571 I577 K578 V591 S605 L645 L647	I570-L574 HydrophobicContact CG2-CD1 4.12Å; I570-L574 HydrophobicContact CG2-CG 4.11Å; I570-L574 VanDerWaalsContact O-CG 3.29Å; I570-L574 WeakPolarHBondContact O-CG 3.49Å; I570-L574 PolarHBondContact O-N 2.91Å; T571-L574 PolarHBondContact O-N 3.49Å; L574-I577 PolarHBondContact O-N 3.47Å; L574-K578 WeakPolarHBondContact O-CB 3.33Å; L574-K578 WeakPolarHBondContact O-CE 3.36Å; L574-K578 VanDerWaalsContact O-CG 3.24Å; L574-K578 WeakPolarHBondContact O-CG 3.18Å; L574-K578 PolarHBondContact O-N 3.22Å; L574-V591 HydrophobicContact CD2-CB 4.18Å; L574-V591 HydrophobicContact CD2-CG1 3.97Å; L574-V591 HydrophobicContact CD2-CG2 3.94Å; L574-S605 WeakPolarHBondContact CD1-O 3.24Å; L574-L645 HydrophobicContact CB-CD2 4.43Å; L574-L645 HydrophobicContact CD1-CD2 4.27Å; L574-L645 HydrophobicContact CD2-CD1 3.94Å; L574-L645 HydrophobicContact CD2-CD2 4.07Å; L574-L645 HydrophobicContact CG-CD2 4.49Å; L574-L647 HydrophobicContact CD1-CD1 4.21Å; L574-L647 HydrophobicContact CD1-CD2 4.21Å; L574-L647 HydrophobicContact CD2-CD1 4.24Å
575	D	94.8	Very high	90.6	Very high	26 Å²	26	44.7 Å²	44.7	14%	0.139	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-42.8	175.1	-68.9	-21.7	0	0	0	112.5	Q92 R324 T571 S572 V573 K578 Q579	Q92-D575 VanDerWaalsContact CB-OD1 3.3Å; Q92-D575 WeakPolarHBondContact CB-OD1 3.24Å; Q92-D575 WeakPolarHBondContact CB-OD2 3.12Å; R324-D575 IonicContact CZ-OD2 3.39Å; R324-D575 VanDerWaalsContact NH1-CG 3.3Å; R324-D575 IonicContact NH1-OD1 3.45Å; R324-D575 PolarHBondContact NH1-OD1 2.67Å; R324-D575 IonicContact NH1-OD2 2.76Å; R324-D575 PolarHBondContact NH1-OD2 3.22Å; R324-D575 IonicContact NH2-OD2 3.26Å; R324-D575 PolarHBondContact NH2-OD2 3.11Å; T571-D575 PolarHBondContact O-N 3.39Å; S572-D575 PolarHBondContact O-N 2.74Å; V573-D575 VanDerWaalsContact C-N 3.25Å; V573-D575 PolarHBondContact O-N 3.18Å; D575-K578 PolarHBondContact O-N 3.05Å; D575-K578 WeakPolarHBondContact OD1-CE 3.35Å; D575-K578 IonicContact OD1-NZ 2.82Å; D575-K578 PolarHBondContact OD1-NZ 3.24Å; D575-Q579 WeakPolarHBondContact O-CB 3.33Å; D575-Q579 PolarHBondContact O-N 3.45Å
576	K	93.7	Very high	90	Very high	135 Å²	135	49.2 Å²	49.2	59%	0.587	26%	0.263	S	S	*	.	H	α-helix	trans	-64	-43.4	175.8	-64.8	167.9	-171.1	170.1	0	111.8	S572 V573 Q579 S580	S572-K576 WeakPolarHBondContact O-CG 3.47Å; S572-K576 PolarHBondContact O-N 2.94Å; V573-K576 WeakPolarHBondContact O-CB 3.4Å; V573-K576 PolarHBondContact O-N 3.38Å; V573-K576 VanDerWaalsContact O-N 3.12Å; K576-Q579 PolarHBondContact O-N 3.47Å; K576-S580 PolarHBondContact O-N 3.26Å
577	I	91.8	Very high	89.6	Confident	12 Å²	12	51.4 Å²	51.4	6%	0.062	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-47.3	176.1	-69.8	172.4	0	0	0	110.4	V573 L574 Q579 S580 A581 F589 V591 N678	V573-I577 HydrophobicContact CG1-CD1 3.76Å; V573-I577 HydrophobicContact CG1-CG1 4.18Å; V573-I577 WeakPolarHBondContact O-CG1 3.2Å; V573-I577 PolarHBondContact O-N 3.36Å; L574-I577 PolarHBondContact O-N 3.47Å; I577-Q579 VanDerWaalsContact C-N 3.27Å; I577-Q579 PolarHBondContact O-N 3.48Å; I577-S580 WeakPolarHBondContact O-CB 3.36Å; I577-S580 PolarHBondContact O-N 3.31Å; I577-S580 VanDerWaalsContact O-N 3.1Å; I577-A581 PolarHBondContact O-N 2.93Å; I577-F589 HydrophobicContact CG2-CB 3.74Å; I577-F589 HydrophobicContact CG2-CD1 3.51Å; I577-F589 HydrophobicContact CG2-CD2 3.45Å; I577-F589 VanDerWaalsContact CG2-CD2 3.45Å; I577-F589 HydrophobicContact CG2-CE1 3.87Å; I577-F589 HydrophobicContact CG2-CE2 3.82Å; I577-F589 HydrophobicContact CG2-CG 3.26Å; I577-F589 HydrophobicContact CG2-CZ 4.01Å; I577-V591 HydrophobicContact CD1-CG2 3.92Å; I577-N678 HydrophobicContact CD1-CB 4.15Å
578	K	89.4	Confident	89.4	Confident	7 Å²	7	51.2 Å²	51.2	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-37.9	176	-84.3	-178.6	-58.7	178.8	0	112.3	L574 D575 A581 L582 G609 L645	L574-K578 WeakPolarHBondContact O-CB 3.33Å; L574-K578 WeakPolarHBondContact O-CE 3.36Å; L574-K578 VanDerWaalsContact O-CG 3.24Å; L574-K578 WeakPolarHBondContact O-CG 3.18Å; L574-K578 PolarHBondContact O-N 3.22Å; D575-K578 PolarHBondContact O-N 3.05Å; D575-K578 WeakPolarHBondContact OD1-CE 3.35Å; D575-K578 IonicContact OD1-NZ 2.82Å; D575-K578 PolarHBondContact OD1-NZ 3.24Å; K578-A581 PolarHBondContact O-N 3.4Å; K578-L582 WeakPolarHBondContact O-CG 3.24Å; K578-L582 PolarHBondContact O-N 3.11Å; K578-L582 VanDerWaalsContact O-N 3.16Å; K578-G609 PolarHBondContact NZ-O 2.85Å; K578-L645 HydrophobicContact CD-CD2 4.3Å; K578-L645 HydrophobicContact CG-CD2 4.43Å
579	Q	87.7	Confident	89.2	Confident	128 Å²	128	50.6 Å²	50.6	60%	0.598	27%	0.266	S	S	*	.	H	α-helix	trans	-67.7	-40.9	175.5	-172.8	64.2	12.9	0	0	111.5	D575 K576 I577 A581 L582 G583	D575-Q579 WeakPolarHBondContact O-CB 3.33Å; D575-Q579 PolarHBondContact O-N 3.45Å; K576-Q579 PolarHBondContact O-N 3.47Å; I577-Q579 VanDerWaalsContact C-N 3.27Å; I577-Q579 PolarHBondContact O-N 3.48Å; Q579-A581 VanDerWaalsContact C-N 3.33Å; Q579-A581 PolarHBondContact O-N 3.44Å; Q579-L582 PolarHBondContact O-N 3.37Å; Q579-G583 PolarHBondContact O-N 3.13Å
580	S	87.5	Confident	89.2	Confident	64 Å²	64	47.6 Å²	47.6	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-43.1	172.9	-174.9	0	0	0	0	111.9	K576 I577 L582 G583 T584	K576-S580 PolarHBondContact O-N 3.26Å; I577-S580 WeakPolarHBondContact O-CB 3.36Å; I577-S580 PolarHBondContact O-N 3.31Å; I577-S580 VanDerWaalsContact O-N 3.1Å; S580-L582 VanDerWaalsContact C-N 3.25Å; S580-L582 PolarHBondContact O-N 3.28Å; S580-G583 PolarHBondContact O-N 3.46Å; S580-G583 VanDerWaalsContact O-N 3.14Å; S580-T584 PolarHBondContact O-N 3.48Å; S580-T584 PolarHBondContact O-OG1 3.27Å; S580-T584 VanDerWaalsContact O-OG1 3.08Å
581	A	83.6	Confident	89.2	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-28.7	176	0	0	0	0	0	113.2	I577 K578 Q579 F589 R643	I577-A581 PolarHBondContact O-N 2.93Å; K578-A581 PolarHBondContact O-N 3.4Å; Q579-A581 VanDerWaalsContact C-N 3.33Å; Q579-A581 PolarHBondContact O-N 3.44Å; A581-F589 HydrophobicContact CB-CD2 4.07Å; A581-F589 HydrophobicContact CB-CE2 3.71Å; A581-R643 HydrophobicContact CB-CB 3.95Å
582	L	78.1	Confident	89.2	Confident	95 Å²	95	49.1 Å²	49.1	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-74.6	-30.5	176.3	-74	168.8	0	0	0	112.3	K578 Q579 S580	K578-L582 WeakPolarHBondContact O-CG 3.24Å; K578-L582 PolarHBondContact O-N 3.11Å; K578-L582 VanDerWaalsContact O-N 3.16Å; Q579-L582 PolarHBondContact O-N 3.37Å; S580-L582 VanDerWaalsContact C-N 3.25Å; S580-L582 PolarHBondContact O-N 3.28Å
583	G	75.1	Confident	89.3	Confident	72 Å²	72	47 Å²	47	74%	0.742	24%	0.244	S	C	*	.	H	α-helix	trans	-73.8	-24.8	177.6	0	0	0	0	0	113.9	Q579 S580	Q579-G583 PolarHBondContact O-N 3.13Å; S580-G583 PolarHBondContact O-N 3.46Å; S580-G583 VanDerWaalsContact O-N 3.14Å
584	T	72	Confident	89.4	Confident	52 Å²	52	47.4 Å²	47.4	32%	0.319	25%	0.245	S	C	.	.	S	Bend	trans	-109.1	120.4	176.4	21.5	0	0	0	0	109.5	S580 R586 R587	S580-T584 PolarHBondContact O-N 3.48Å; S580-T584 PolarHBondContact O-OG1 3.27Å; S580-T584 VanDerWaalsContact O-OG1 3.08Å; T584-R586 PolarHBondContact O-N 2.99Å; T584-R586 VanDerWaalsContact O-N 3.12Å; T584-R587 PolarHBondContact OG1-NH1 3.33Å; T584-R587 VanDerWaalsContact OG1-NH1 3.08Å
585	K	71.7	Confident	89.4	Confident	178 Å²	178	47.4 Å²	47.4	77%	0.774	25%	0.245	S	C	*	.	S	Bend	trans	-60.8	121.2	-177.4	-65.1	-176.6	-176.7	177.6	0	109.8
586	R	86.5	Confident	89.5	Confident	96 Å²	96	47 Å²	47	36%	0.362	25%	0.247	S	C	.	.	S	Bend	trans	68.7	81.4	168.6	-53.4	-176.2	177.9	177.8	-11.4	115	T584 I637 K642 I672 F673 D674	T584-R586 PolarHBondContact O-N 2.99Å; T584-R586 VanDerWaalsContact O-N 3.12Å; R586-I637 HydrophobicContact CB-CG2 3.78Å; R586-I637 HydrophobicContact CG-CG2 3.73Å; R586-K642 VanDerWaalsContact CA-O 3.22Å; R586-K642 WeakPolarHBondContact CA-O 3.45Å; R586-K642 PolarHBondContact N-O 3.41Å; R586-I672 VanDerWaalsContact CB-O 3.29Å; R586-I672 WeakPolarHBondContact CB-O 3.41Å; R586-I672 WeakPolarHBondContact CD-O 3.42Å; R586-F673 HydrophobicContact CB-CB 4.32Å; R586-F673 WeakPolarHBondContact O-CA 3.33Å; R586-D674 PolarHBondContact O-N 2.94Å; R586-D674 VanDerWaalsContact O-N 3.13Å
587	R	90.8	Very high	89.6	Confident	47 Å²	47	44.6 Å²	44.6	18%	0.177	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.5	179.1	-174.2	167.8	-77.9	165.7	-4.6	113.8	T584 F589 K642 R643 G644 D674 R676	T584-R587 PolarHBondContact OG1-NH1 3.33Å; T584-R587 VanDerWaalsContact OG1-NH1 3.08Å; R587-F589 HydrophobicContact CB-CE2 4.47Å; R587-F589 VanDerWaalsContact CD-CE2 3.44Å; R587-F589 HydrophobicContact CG-CD2 4.08Å; R587-F589 HydrophobicContact CG-CE2 3.68Å; R587-F589 HydrophobicContact CG-CZ 4.24Å; R587-K642 PolarHBondContact N-O 3.24Å; R587-R643 CarbonylContact O-C 3.58Å; R587-R643 VanDerWaalsContact O-CA 3.28Å; R587-R643 WeakPolarHBondContact O-CA 3.42Å; R587-G644 PolarHBondContact O-N 3.5Å; R587-D674 CarbonylContact C-O 3.6Å; R587-D674 WeakPolarHBondContact CA-O 3.46Å; R587-D674 IonicContact CZ-OD2 3.84Å; R587-D674 IonicContact NE-OD2 3.14Å; R587-D674 PolarHBondContact NE-OD2 3.04Å; R587-D674 IonicContact NH2-OD2 2.7Å; R587-D674 PolarHBondContact NH2-OD2 2.71Å; R587-R676 HydrophobicContact CG-CG 4.43Å
588	V	93.2	Very high	89.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137	171.5	179.6	0	0	0	0	109.6	L633 I637 G644 V646 Y665 F673 D674 C675 R676	V588-L633 HydrophobicContact CG1-CD1 3.99Å; V588-L633 HydrophobicContact CG2-CD1 4.32Å; V588-I637 HydrophobicContact CG2-CD1 3.59Å; V588-G644 WeakPolarHBondContact CA-O 3.38Å; V588-V646 HydrophobicContact CG1-CG2 4.36Å; V588-Y665 HydrophobicContact CG1-CD2 4.26Å; V588-F673 HydrophobicContact CB-CD2 3.96Å; V588-F673 HydrophobicContact CB-CE2 4.02Å; V588-F673 HydrophobicContact CG2-CB 4.35Å; V588-F673 HydrophobicContact CG2-CD1 4.14Å; V588-F673 HydrophobicContact CG2-CD2 3.37Å; V588-F673 HydrophobicContact CG2-CE1 4.23Å; V588-F673 HydrophobicContact CG2-CE2 3.53Å; V588-F673 HydrophobicContact CG2-CG 3.71Å; V588-F673 HydrophobicContact CG2-CZ 3.97Å; V588-D674 PolarHBondContact N-O 3.27Å; V588-C675 CarbonylContact O-C 3.55Å; V588-C675 WeakPolarHBondContact O-CA 3.44Å; V588-R676 PolarHBondContact O-N 3.18Å
589	F	95.2	Very high	90.3	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.5	172.6	-78.2	-89.9	0	0	0	110.9	I577 A581 R587 V591 G644 L645 V646 R676 N678	I577-F589 HydrophobicContact CG2-CB 3.74Å; I577-F589 HydrophobicContact CG2-CD1 3.51Å; I577-F589 HydrophobicContact CG2-CD2 3.45Å; I577-F589 VanDerWaalsContact CG2-CD2 3.45Å; I577-F589 HydrophobicContact CG2-CE1 3.87Å; I577-F589 HydrophobicContact CG2-CE2 3.82Å; I577-F589 HydrophobicContact CG2-CG 3.26Å; I577-F589 HydrophobicContact CG2-CZ 4.01Å; A581-F589 HydrophobicContact CB-CD2 4.07Å; A581-F589 HydrophobicContact CB-CE2 3.71Å; R587-F589 HydrophobicContact CB-CE2 4.47Å; R587-F589 VanDerWaalsContact CD-CE2 3.44Å; R587-F589 HydrophobicContact CG-CD2 4.08Å; R587-F589 HydrophobicContact CG-CE2 3.68Å; R587-F589 HydrophobicContact CG-CZ 4.24Å; F589-V591 HydrophobicContact CB-CG2 4.25Å; F589-G644 PolarHBondContact N-O 3.43Å; F589-L645 HydrophobicContact CB-CD1 4.19Å; F589-V646 PolarHBondContact O-N 3.37Å; F589-R676 CarbonylContact C-O 3.56Å; F589-R676 WeakPolarHBondContact CA-O 3.38Å; F589-R676 HydrophobicContact CD1-CB 3.66Å; F589-R676 HydrophobicContact CE1-CB 3.57Å; F589-R676 HydrophobicContact CE1-CG 4.14Å; F589-R676 HydrophobicContact CG-CB 4.46Å; F589-R676 HydrophobicContact CZ-CB 4.31Å; F589-R676 HydrophobicContact CZ-CG 4.46Å; F589-N678 WeakPolarHBondContact CD1-OD1 3.4Å; F589-N678 WeakPolarHBondContact CE1-OD1 3.4Å
590	V	97	Very high	90.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.5	165.3	-178.4	0	0	0	0	107.1	V646 I661 R676 C677 N678	V590-V646 CarbonylContact C-O 3.2Å; V590-V646 WeakPolarHBondContact CA-O 3.36Å; V590-V646 HydrophobicContact CG2-CB 4.48Å; V590-I661 HydrophobicContact CG1-CB 4.46Å; V590-I661 HydrophobicContact CG1-CG2 4.22Å; V590-I661 HydrophobicContact CG2-CG2 3.88Å; V590-R676 PolarHBondContact N-O 3.11Å; V590-C677 CarbonylContact O-C 3.51Å; V590-C677 WeakPolarHBondContact O-CA 3.47Å; V590-N678 PolarHBondContact O-N 3.01Å
591	V	97.9	Very high	91.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.2	-175.8	-176.6	0	0	0	0	109.5	L574 I577 F589 L645 V646 L647 R648 N678 L680	L574-V591 HydrophobicContact CD2-CB 4.18Å; L574-V591 HydrophobicContact CD2-CG1 3.97Å; L574-V591 HydrophobicContact CD2-CG2 3.94Å; I577-V591 HydrophobicContact CD1-CG2 3.92Å; F589-V591 HydrophobicContact CB-CG2 4.25Å; V591-L645 HydrophobicContact CG2-CD1 3.71Å; V591-V646 PolarHBondContact N-O 2.95Å; V591-L647 HydrophobicContact CB-CG 4.42Å; V591-L647 CarbonylContact O-C 3.59Å; V591-L647 WeakPolarHBondContact O-CA 3.48Å; V591-R648 PolarHBondContact O-N 3.01Å; V591-N678 CarbonylContact C-O 3.59Å; V591-N678 WeakPolarHBondContact CA-O 3.42Å; V591-N678 HydrophobicContact CG2-CB 4.43Å; V591-L680 HydrophobicContact CG1-CD1 3.77Å; V591-L680 HydrophobicContact CG1-CD2 3.85Å; V591-L680 HydrophobicContact CG1-CG 3.67Å
592	E	98.5	Very high	92	Very high	35 Å²	35	34.6 Å²	34.6	16%	0.164	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	123	176.2	-168.7	175.7	103.4	0	0	110.8	R648 E650 S658 N678 V679 L680	E592-R648 CarbonylContact C-O 3.56Å; E592-R648 VanDerWaalsContact CA-O 3.27Å; E592-R648 WeakPolarHBondContact CA-O 3.34Å; E592-R648 IonicContact OE2-NH1 3.45Å; E592-R648 PolarHBondContact OE2-NH1 3.38Å; E592-E650 HydrophobicContact CG-CB 4.29Å; E592-S658 WeakPolarHBondContact CB-OG 3.31Å; E592-S658 WeakPolarHBondContact OE2-CB 3.45Å; E592-S658 PolarHBondContact OE2-OG 2.99Å; E592-N678 PolarHBondContact N-O 3.43Å; E592-V679 HydrophobicContact CB-CB 4.43Å; E592-V679 HydrophobicContact CB-CG1 4.37Å; E592-V679 HydrophobicContact CB-CG2 4.11Å; E592-L680 WeakPolarHBondContact O-CG 3.49Å; E592-L680 PolarHBondContact O-N 2.91Å
593	T	98.3	Very high	92.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	151.7	172	64	0	0	0	0	110.6	I570 A602 L647 R648 E650 L680	I570-T593 HydrophobicContact CD1-CG2 4.2Å; I570-T593 HydrophobicContact CG2-CG2 4.14Å; T593-A602 WeakPolarHBondContact OG1-CB 3.24Å; T593-A602 PolarHBondContact OG1-N 3.43Å; T593-L647 HydrophobicContact CG2-CD2 3.93Å; T593-R648 PolarHBondContact N-O 2.79Å; T593-E650 PolarHBondContact O-N 2.87Å; T593-L680 HydrophobicContact CG2-CD1 4.45Å
594	M	97.8	Very high	94	Very high	32 Å²	32	27 Å²	27	16%	0.158	12%	0.123	C	C	.	.			trans	-70.7	178.4	166	-76	173.3	86.2	0	0	109.8	I550 Q684	I550-M594 HydrophobicContact CD1-CB 4.1Å; I550-M594 HydrophobicContact CD1-CE 4.42Å; I550-M594 HydrophobicContact CD1-SD 4.11Å; M594-Q684 VanDerWaalsContact N-NE2 3.14Å
595	G	96.5	Very high	95.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	11%	0.108	C	C	.	.			trans	144	-6.6	177.4	0	0	0	0	0	112.9	S551 Y597 C598 E650	S551-G595 WeakPolarHBondContact OG-CA 3.36Å; G595-Y597 PolarHBondContact O-N 3.26Å; G595-C598 VanDerWaalsContact O-CB 3.31Å; G595-C598 WeakPolarHBondContact O-CB 3.49Å; G595-C598 PolarHBondContact O-N 2.89Å; G595-E650 PolarHBondContact N-OE1 3.34Å; G595-E650 VanDerWaalsContact N-OE1 3.13Å
596	G	96.4	Very high	96.4	Very high	17 Å²	17	16 Å²	16	18%	0.175	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-126.7	-165	0	0	0	0	0	109.6	C598 E650 Y651	G596-C598 VanDerWaalsContact C-N 3.29Å; G596-E650 WeakPolarHBondContact CA-OE1 3.45Å; G596-E650 PolarHBondContact N-OE1 2.97Å; G596-Y651 VanDerWaalsContact CA-CD2 3.45Å; G596-Y651 WeakPolarHBondContact O-CB 3.28Å; G596-Y651 PolarHBondContact O-N 2.87Å
597	Y	97.3	Very high	96.9	Very high	84 Å²	84	11.6 Å²	11.6	33%	0.329	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.8	171.9	-66.9	-78.9	0	0	0	113.1	G595 F617 Y651 H756	G595-Y597 PolarHBondContact O-N 3.26Å; Y597-F617 HydrophobicContact CD1-CB 4.27Å; Y597-F617 HydrophobicContact CD1-CD1 4.07Å; Y597-F617 AromaticContact CD1-CD2 3.56Å; Y597-F617 HydrophobicContact CD1-CD2 3.56Å; Y597-F617 HydrophobicContact CD1-CE1 4.3Å; Y597-F617 AromaticContact CD1-CE2 3.82Å; Y597-F617 HydrophobicContact CD1-CE2 3.82Å; Y597-F617 AromaticContact CD1-CG 3.69Å; Y597-F617 HydrophobicContact CD1-CG 3.69Å; Y597-F617 HydrophobicContact CD1-CZ 4.18Å; Y597-F617 HydrophobicContact CE1-CD2 4.09Å; Y597-F617 HydrophobicContact CE1-CE2 4.08Å; Y597-F617 HydrophobicContact CG-CD1 4.45Å; Y597-F617 HydrophobicContact CG-CG 4.42Å; Y597-F617 WeakPolarHBondContact O-CB 3.36Å; Y597-Y651 HydrophobicContact CD1-CD2 4.44Å; Y597-Y651 AromaticContact CD2-CD2 3.88Å; Y597-Y651 HydrophobicContact CD2-CD2 3.88Å; Y597-Y651 HydrophobicContact CE1-CD2 4.4Å; Y597-Y651 HydrophobicContact CE1-CG 4.39Å; Y597-Y651 AromaticContact CE2-CD2 3.83Å; Y597-Y651 HydrophobicContact CE2-CD2 3.83Å; Y597-Y651 HydrophobicContact CE2-CE2 4.49Å; Y597-Y651 HydrophobicContact CG-CD2 4.2Å; Y597-H756 HydrophobicContact CD2-CB 4.05Å; Y597-H756 WeakPolarHBondContact CD2-O 3.41Å; Y597-H756 HydrophobicContact CG-CB 4Å
598	C	97.8	Very high	97.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.			trans	-86.5	118.4	-179.8	-171.5	0	0	0	0	110.7	S551 N553 G595 G596 Y600 E618 L758 E762	S551-C598 PolarHBondContact O-SG 2.93Å; N553-C598 HydrophobicContact CB-CB 3.81Å; G595-C598 VanDerWaalsContact O-CB 3.31Å; G595-C598 WeakPolarHBondContact O-CB 3.49Å; G595-C598 PolarHBondContact O-N 2.89Å; G596-C598 VanDerWaalsContact C-N 3.29Å; C598-Y600 PolarHBondContact O-N 3.37Å; C598-E618 VanDerWaalsContact CA-OE1 3.28Å; C598-E618 WeakPolarHBondContact CA-OE1 3.22Å; C598-L758 HydrophobicContact CB-CD2 3.48Å; C598-L758 VanDerWaalsContact CB-CD2 3.48Å; C598-E762 PolarHBondContact SG-OE1 3.26Å
599	G	97.7	Very high	97.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.047	C	C	.	.			trans	-78.3	2.8	179.3	0	0	0	0	0	115	L601 A602 T603 E618	G599-L601 PolarHBondContact O-N 3.45Å; G599-A602 PolarHBondContact O-N 2.83Å; G599-T603 VanDerWaalsContact O-CB 3.32Å; G599-T603 WeakPolarHBondContact O-CB 3.48Å; G599-T603 PolarHBondContact O-N 2.8Å; G599-T603 PolarHBondContact O-OG1 3.43Å; G599-E618 WeakPolarHBondContact CA-OE2 3.46Å; G599-E618 PolarHBondContact N-OE1 3.43Å; G599-E618 PolarHBondContact N-OE2 2.68Å
600	Y	98.2	Very high	97.3	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.016	5%	0.054	C	C	.	.	H	α-helix	trans	-52.5	-55.5	-177.7	173.5	-98.9	0	0	0	111.9	N552 C563 C598 A602 T603 M604 W763 W764	N552-Y600 HydrophobicContact CB-CD1 3.64Å; N552-Y600 HydrophobicContact CB-CD2 4.25Å; N552-Y600 HydrophobicContact CB-CE1 4.04Å; N552-Y600 HydrophobicContact CB-CG 3.78Å; N552-Y600 WeakPolarHBondContact ND2-CE2 3.49Å; C563-Y600 HydrophobicContact CB-CE1 3.85Å; C598-Y600 PolarHBondContact O-N 3.37Å; Y600-A602 PolarHBondContact O-N 3.16Å; Y600-T603 PolarHBondContact O-N 3.37Å; Y600-M604 HydrophobicContact CD2-CG 3.67Å; Y600-M604 HydrophobicContact CE1-CG 4.4Å; Y600-M604 HydrophobicContact CE2-CG 3.49Å; Y600-M604 VanDerWaalsContact CE2-CG 3.49Å; Y600-M604 HydrophobicContact CE2-SD 4.38Å; Y600-M604 HydrophobicContact CG-CG 4.24Å; Y600-M604 WeakPolarHBondContact O-CB 3.28Å; Y600-M604 VanDerWaalsContact O-CG 3.23Å; Y600-M604 WeakPolarHBondContact O-CG 3.39Å; Y600-M604 PolarHBondContact O-N 3.39Å; Y600-W763 AromaticContact CE2-CZ2 3.93Å; Y600-W763 HydrophobicContact CE2-CZ2 3.93Å; Y600-W764 HydrophobicContact CD2-CB 4.11Å; Y600-W764 AromaticContact CD2-CD1 3.5Å; Y600-W764 VanDerWaalsContact CD2-CD1 3.5Å; Y600-W764 HydrophobicContact CD2-CD2 4.2Å; Y600-W764 AromaticContact CD2-CG 3.66Å; Y600-W764 HydrophobicContact CD2-CG 3.66Å; Y600-W764 AromaticContact CD2-NE1 3.89Å; Y600-W764 HydrophobicContact CE2-CB 4.49Å; Y600-W764 HydrophobicContact CE2-CG 4.46Å; Y600-W764 VanDerWaalsContact N-CZ2 3.33Å
601	L	98.3	Very high	97.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.5	-43.9	-176.6	-70.4	179.4	0	0	0	111.7	I550 A566 I570 G599 S605	I550-L601 HydrophobicContact CB-CD1 4.35Å; I550-L601 HydrophobicContact CD1-CD1 4.26Å; I550-L601 HydrophobicContact CG1-CD1 4.23Å; I550-L601 WeakPolarHBondContact O-CD1 3.31Å; I550-L601 WeakPolarHBondContact O-CD2 3.5Å; I550-L601 WeakPolarHBondContact O-CG 3.41Å; A566-L601 HydrophobicContact CB-CD2 3.95Å; I570-L601 HydrophobicContact CD1-CB 3.93Å; I570-L601 HydrophobicContact CD1-CD1 4.2Å; I570-L601 HydrophobicContact CD1-CD2 3.98Å; I570-L601 HydrophobicContact CD1-CG 4.26Å; G599-L601 PolarHBondContact O-N 3.45Å; L601-S605 WeakPolarHBondContact O-CB 3.38Å; L601-S605 PolarHBondContact O-N 3.37Å; L601-S605 PolarHBondContact O-OG 2.87Å
602	A	97.8	Very high	96.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.6	-47.1	177.1	0	0	0	0	0	111.6	T593 G599 Y600 A606 I616 L647 A649	T593-A602 WeakPolarHBondContact OG1-CB 3.24Å; T593-A602 PolarHBondContact OG1-N 3.43Å; G599-A602 PolarHBondContact O-N 2.83Å; Y600-A602 PolarHBondContact O-N 3.16Å; A602-A606 WeakPolarHBondContact O-CB 3.42Å; A602-A606 PolarHBondContact O-N 2.91Å; A602-I616 HydrophobicContact CB-CG2 3.81Å; A602-L647 WeakPolarHBondContact O-CD2 3.17Å; A602-A649 HydrophobicContact CB-CB 4.03Å
603	T	97.5	Very high	96.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-70.7	-50.9	-176.3	-63.4	0	0	0	0	112	G599 Y600 S605 A606 L607 W764 R768	G599-T603 VanDerWaalsContact O-CB 3.32Å; G599-T603 WeakPolarHBondContact O-CB 3.48Å; G599-T603 PolarHBondContact O-N 2.8Å; G599-T603 PolarHBondContact O-OG1 3.43Å; Y600-T603 PolarHBondContact O-N 3.37Å; T603-S605 VanDerWaalsContact C-N 3.34Å; T603-S605 PolarHBondContact O-N 2.88Å; T603-A606 WeakPolarHBondContact O-CB 3.2Å; T603-A606 PolarHBondContact O-N 2.86Å; T603-L607 PolarHBondContact O-N 3.36Å; T603-W764 HydrophobicContact CG2-CE3 4.02Å; T603-W764 HydrophobicContact CG2-CZ3 4.3Å; T603-W764 WeakPolarHBondContact OG1-CZ3 3.43Å; T603-R768 VanDerWaalsContact CG2-CD 3.46Å; T603-R768 HydrophobicContact CG2-CG 4.17Å; T603-R768 WeakPolarHBondContact OG1-CD 3.16Å; T603-R768 PolarHBondContact OG1-NH1 3.33Å
604	M	97.7	Very high	96.6	Very high	5 Å²	5	8.9 Å²	8.9	3%	0.025	5%	0.051	C	C	.	.	H	α-helix	trans	-67	-39.3	-177.6	-61.2	-54.4	-67.1	0	0	111	I325 L567 Y600 A606 L607 A608 W763 W764 L767	I325-M604 HydrophobicContact CD1-CB 4.29Å; I325-M604 HydrophobicContact CD1-CE 3.69Å; I325-M604 HydrophobicContact CG1-CE 4.33Å; I325-M604 HydrophobicContact CG2-CE 3.85Å; L567-M604 HydrophobicContact CD1-CB 3.73Å; L567-M604 HydrophobicContact CD2-CB 4.1Å; Y600-M604 HydrophobicContact CD2-CG 3.67Å; Y600-M604 HydrophobicContact CE1-CG 4.4Å; Y600-M604 HydrophobicContact CE2-CG 3.49Å; Y600-M604 VanDerWaalsContact CE2-CG 3.49Å; Y600-M604 HydrophobicContact CE2-SD 4.38Å; Y600-M604 HydrophobicContact CG-CG 4.24Å; Y600-M604 WeakPolarHBondContact O-CB 3.28Å; Y600-M604 VanDerWaalsContact O-CG 3.23Å; Y600-M604 WeakPolarHBondContact O-CG 3.39Å; Y600-M604 PolarHBondContact O-N 3.39Å; M604-A606 VanDerWaalsContact C-N 3.33Å; M604-A606 PolarHBondContact O-N 2.97Å; M604-L607 PolarHBondContact O-N 3.12Å; M604-A608 WeakPolarHBondContact O-CB 3.36Å; M604-A608 PolarHBondContact O-N 2.93Å; M604-W763 HydrophobicContact CE-CH2 3.94Å; M604-W763 HydrophobicContact SD-CH2 4.42Å; M604-W764 HydrophobicContact SD-CB 3.93Å; M604-L767 HydrophobicContact CE-CD1 3.82Å; M604-L767 HydrophobicContact SD-CD1 3.85Å
605	S	97.7	Very high	96.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-69.9	-30.9	175.7	-55.7	0	0	0	0	112.4	L567 I570 L574 L601 T603 G609	L567-S605 VanDerWaalsContact CD1-OG 3.3Å; L567-S605 WeakPolarHBondContact CD1-OG 3.32Å; I570-S605 VanDerWaalsContact CG2-CB 3.42Å; I570-S605 VanDerWaalsContact CG2-OG 3.27Å; I570-S605 WeakPolarHBondContact CG2-OG 3.23Å; L574-S605 WeakPolarHBondContact CD1-O 3.24Å; L601-S605 WeakPolarHBondContact O-CB 3.38Å; L601-S605 PolarHBondContact O-N 3.37Å; L601-S605 PolarHBondContact O-OG 2.87Å; T603-S605 VanDerWaalsContact C-N 3.34Å; T603-S605 PolarHBondContact O-N 2.88Å; S605-G609 VanDerWaalsContact O-CA 3.3Å; S605-G609 WeakPolarHBondContact O-CA 3.42Å; S605-G609 PolarHBondContact O-N 2.97Å
606	A	97	Very high	96.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.8	-43.2	173.5	0	0	0	0	0	111	A602 T603 M604 G610 A611 A614 L647 M771	A602-A606 WeakPolarHBondContact O-CB 3.42Å; A602-A606 PolarHBondContact O-N 2.91Å; T603-A606 WeakPolarHBondContact O-CB 3.2Å; T603-A606 PolarHBondContact O-N 2.86Å; M604-A606 VanDerWaalsContact C-N 3.33Å; M604-A606 PolarHBondContact O-N 2.97Å; A606-G610 WeakPolarHBondContact O-CA 3.2Å; A606-G610 PolarHBondContact O-N 2.92Å; A606-A611 HydrophobicContact CB-CB 3.75Å; A606-A611 PolarHBondContact O-N 2.83Å; A606-A614 HydrophobicContact CB-CB 3.61Å; A606-L647 HydrophobicContact CB-CB 4.48Å; A606-L647 HydrophobicContact CB-CD1 4.29Å; A606-L647 HydrophobicContact CB-CD2 4.23Å; A606-M771 HydrophobicContact CB-CG 4.3Å; A606-M771 HydrophobicContact CB-SD 3.54Å; A606-M771 VanDerWaalsContact CB-SD 3.54Å
607	L	96.4	Very high	96.6	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.021	5%	0.049	C	C	.	.	H	α-helix	trans	-64.8	-47.8	174.9	-173.2	60.7	0	0	0	111.8	I325 T603 M604 G609 G610 L767 L770 M771	I325-L607 HydrophobicContact CG1-CB 4.49Å; I325-L607 HydrophobicContact CG1-CD2 4.28Å; I325-L607 HydrophobicContact CG1-CG 4.33Å; I325-L607 HydrophobicContact CG2-CD2 4Å; T603-L607 PolarHBondContact O-N 3.36Å; M604-L607 PolarHBondContact O-N 3.12Å; L607-G609 VanDerWaalsContact C-N 3.34Å; L607-G609 PolarHBondContact O-N 2.96Å; L607-G610 PolarHBondContact O-N 2.79Å; L607-L767 HydrophobicContact CD2-CB 4.48Å; L607-L767 HydrophobicContact CD2-CD1 4.38Å; L607-L770 HydrophobicContact CD1-CG 4.36Å; L607-L770 HydrophobicContact CD2-CD2 4.47Å; L607-M771 HydrophobicContact CD1-CB 4.48Å
608	A	97.4	Very high	96.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68.3	-30.5	178	0	0	0	0	0	113.5	L91 A321 R324 I325 T571 M604	L91-A608 WeakPolarHBondContact CD2-O 3.2Å; A321-A608 HydrophobicContact CB-CB 4.15Å; R324-A608 HydrophobicContact CB-CB 4.35Å; R324-A608 WeakPolarHBondContact CD-O 3.3Å; I325-A608 HydrophobicContact CD1-CB 3.96Å; I325-A608 HydrophobicContact CG1-CB 3.91Å; T571-A608 HydrophobicContact CG2-CB 4.19Å; M604-A608 WeakPolarHBondContact O-CB 3.36Å; M604-A608 PolarHBondContact O-N 2.93Å
609	G	95.5	Very high	96.3	Very high	1 Å²	1	9 Å²	9	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-84.4	-20.9	179.1	0	0	0	0	0	113.4	K578 S605 L607	K578-G609 PolarHBondContact NZ-O 2.85Å; S605-G609 VanDerWaalsContact O-CA 3.3Å; S605-G609 WeakPolarHBondContact O-CA 3.42Å; S605-G609 PolarHBondContact O-N 2.97Å; L607-G609 VanDerWaalsContact C-N 3.34Å; L607-G609 PolarHBondContact O-N 2.96Å
610	G	93.9	Very high	96	Very high	20 Å²	20	14 Å²	14	21%	0.206	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	44.9	-171.7	0	0	0	0	0	111.6	A606 L607	A606-G610 WeakPolarHBondContact O-CA 3.2Å; A606-G610 PolarHBondContact O-N 2.92Å; L607-G610 PolarHBondContact O-N 2.79Å
611	A	94.4	Very high	95.8	Very high	3 Å²	3	14.3 Å²	14.3	3%	0.025	8%	0.083	C	C	.	.			trans	-71.4	158.6	175.5	0	0	0	0	0	111.6	A606 L645 L647	A606-A611 HydrophobicContact CB-CB 3.75Å; A606-A611 PolarHBondContact O-N 2.83Å; A611-L645 HydrophobicContact CB-CB 4.36Å; A611-L645 HydrophobicContact CB-CD2 3.96Å; A611-L645 HydrophobicContact CB-CG 3.93Å; A611-L647 HydrophobicContact CB-CD1 3.51Å
612	D	92.6	Very high	95.6	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.032	10%	0.102	C	C	.	.	S	Bend	trans	-85.4	-41.4	-179.7	-62.2	-58.7	0	0	0	111	L633 K636 G644 L645 A775 H777	D612-L633 HydrophobicContact CB-CD2 3.85Å; D612-L633 WeakPolarHBondContact OD2-CD2 3.36Å; D612-K636 IonicContact OD1-NZ 2.71Å; D612-K636 PolarHBondContact OD1-NZ 3.28Å; D612-K636 IonicContact OD2-NZ 3.28Å; D612-K636 PolarHBondContact OD2-NZ 3.39Å; D612-G644 VanDerWaalsContact OD2-CA 3.28Å; D612-G644 WeakPolarHBondContact OD2-CA 3.25Å; D612-L645 WeakPolarHBondContact CB-O 3.43Å; D612-L645 PolarHBondContact N-O 2.93Å; D612-L645 PolarHBondContact OD2-N 2.78Å; D612-A775 VanDerWaalsContact O-CB 3.25Å; D612-A775 WeakPolarHBondContact O-CB 3.44Å; D612-H777 PolarHBondContact O-CD2 2.6Å; D612-H777 PolarHBondContact O-NE2 3.49Å
613	A	94.2	Very high	95.4	Very high	5 Å²	5	21 Å²	21	4%	0.041	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.3	175.8	0	0	0	0	0	111.1	V646 L647	A613-V646 HydrophobicContact CB-CG1 4.26Å; A613-V646 HydrophobicContact CB-CG2 4.41Å; A613-V646 WeakPolarHBondContact O-CA 3.35Å; A613-L647 PolarHBondContact O-N 3.39Å
614	A	96.2	Very high	95.2	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.025	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	119.9	171.1	0	0	0	0	0	110.5	A606 L647 R768 M771	A606-A614 HydrophobicContact CB-CB 3.61Å; A614-L647 CarbonylContact C-O 3.57Å; A614-L647 VanDerWaalsContact CA-O 3.25Å; A614-L647 WeakPolarHBondContact CA-O 3.35Å; A614-L647 HydrophobicContact CB-CB 4.22Å; A614-R768 VanDerWaalsContact O-CZ 3.31Å; A614-R768 PolarHBondContact O-NH1 2.92Å; A614-R768 PolarHBondContact O-NH2 2.8Å; A614-M771 HydrophobicContact CB-CE 3.92Å; A614-M771 HydrophobicContact CB-SD 3.61Å
615	Y	97.4	Very high	95	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.1	178.3	-54.7	-60.3	0	0	0	111	F621 L626 D629 V646 L647 R648 A649 A652 I661 Y665	Y615-F621 HydrophobicContact CD1-CB 4.32Å; Y615-F621 HydrophobicContact CD1-CD1 4.06Å; Y615-F621 AromaticContact CD1-CD2 3.77Å; Y615-F621 HydrophobicContact CD1-CD2 3.77Å; Y615-F621 HydrophobicContact CD1-CE1 4.35Å; Y615-F621 HydrophobicContact CD1-CE2 4.04Å; Y615-F621 AromaticContact CD1-CG 3.77Å; Y615-F621 HydrophobicContact CD1-CG 3.77Å; Y615-F621 HydrophobicContact CD1-CZ 4.33Å; Y615-F621 HydrophobicContact CE1-CD2 4.26Å; Y615-F621 HydrophobicContact CE1-CG 4.48Å; Y615-F621 HydrophobicContact CG-CD1 4.42Å; Y615-F621 HydrophobicContact CG-CD2 4.27Å; Y615-F621 HydrophobicContact CG-CE1 4.26Å; Y615-F621 HydrophobicContact CG-CE2 4.06Å; Y615-F621 HydrophobicContact CG-CG 4.44Å; Y615-F621 HydrophobicContact CG-CZ 4.06Å; Y615-L626 HydrophobicContact CD1-CD2 4.33Å; Y615-L626 HydrophobicContact CD2-CD2 4.38Å; Y615-L626 HydrophobicContact CE1-CD2 3.68Å; Y615-L626 HydrophobicContact CE2-CD2 3.67Å; Y615-D629 VanDerWaalsContact CE1-OD2 3.31Å; Y615-D629 WeakPolarHBondContact CE1-OD2 3.48Å; Y615-D629 VanDerWaalsContact CZ-OD2 3.28Å; Y615-D629 WeakPolarHBondContact OH-CB 3.34Å; Y615-D629 PolarHBondContact OH-OD2 2.76Å; Y615-V646 HydrophobicContact CD2-CG1 3.96Å; Y615-V646 HydrophobicContact CE2-CG1 3.42Å; Y615-V646 VanDerWaalsContact CE2-CG1 3.42Å; Y615-L647 PolarHBondContact N-O 3.27Å; Y615-R648 HydrophobicContact CD2-CB 4.43Å; Y615-R648 WeakPolarHBondContact O-CA 3.21Å; Y615-A649 PolarHBondContact O-N 3.38Å; Y615-A652 WeakPolarHBondContact O-CB 3.15Å; Y615-I661 HydrophobicContact CD2-CD1 3.79Å; Y615-I661 HydrophobicContact CE2-CD1 4.07Å; Y615-I661 HydrophobicContact CE2-CG2 4.41Å; Y615-Y665 PolarHBondContact OH-OH 3.19Å
616	I	97.3	Very high	94.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.			trans	-135.6	170.4	-177	64.5	174.6	0	0	0	109.7	A602 E618 E619 W764 L765	A602-I616 HydrophobicContact CB-CG2 3.81Å; I616-E618 WeakPolarHBondContact CB-OE2 3.42Å; I616-E618 HydrophobicContact CD1-CB 4.14Å; I616-E619 HydrophobicContact CD1-CB 4.12Å; I616-E619 HydrophobicContact CG1-CB 3.8Å; I616-W764 HydrophobicContact CD1-CH2 4.07Å; I616-W764 HydrophobicContact CD1-CZ3 3.85Å; I616-L765 HydrophobicContact CD1-CD2 3.98Å
617	F	96.8	Very high	94.6	Very high	61 Å²	61	32.1 Å²	32.1	27%	0.268	17%	0.169	S	C	.	.	S	Bend	trans	-79.2	-36.9	-178.6	170	-104.1	0	0	0	111.5	Y597 E619 H756 L758	Y597-F617 HydrophobicContact CD1-CB 4.27Å; Y597-F617 HydrophobicContact CD1-CD1 4.07Å; Y597-F617 AromaticContact CD1-CD2 3.56Å; Y597-F617 HydrophobicContact CD1-CD2 3.56Å; Y597-F617 HydrophobicContact CD1-CE1 4.3Å; Y597-F617 AromaticContact CD1-CE2 3.82Å; Y597-F617 HydrophobicContact CD1-CE2 3.82Å; Y597-F617 AromaticContact CD1-CG 3.69Å; Y597-F617 HydrophobicContact CD1-CG 3.69Å; Y597-F617 HydrophobicContact CD1-CZ 4.18Å; Y597-F617 HydrophobicContact CE1-CD2 4.09Å; Y597-F617 HydrophobicContact CE1-CE2 4.08Å; Y597-F617 HydrophobicContact CG-CD1 4.45Å; Y597-F617 HydrophobicContact CG-CG 4.42Å; Y597-F617 WeakPolarHBondContact O-CB 3.36Å; F617-E619 PolarHBondContact O-N 3.43Å; F617-H756 HydrophobicContact CE1-CB 4.1Å; F617-H756 AromaticContact CE1-CD2 3.91Å; F617-H756 AromaticContact CE1-CG 3.76Å; F617-H756 HydrophobicContact CZ-CB 4.47Å; F617-H756 AromaticContact CZ-CD2 3.39Å; F617-H756 WeakPolarHBondContact CZ-CD2 3.08Å; F617-H756 AromaticContact CZ-CE1 3.85Å; F617-H756 AromaticContact CZ-CG 3.69Å; F617-H756 AromaticContact CZ-ND1 3.96Å; F617-H756 AromaticContact CZ-NE2 3.53Å; F617-L758 HydrophobicContact CD1-CD1 3.89Å; F617-L758 HydrophobicContact CE1-CD1 4.04Å
618	E	95.6	Very high	94.4	Very high	45 Å²	45	36.1 Å²	36.1	21%	0.21	19%	0.188	C	C	.	.	S	Bend	trans	-67.3	-20.1	-176.7	-57	90.2	154.3	0	0	113.1	C598 G599 I616 P620 W764 L765	C598-E618 VanDerWaalsContact CA-OE1 3.28Å; C598-E618 WeakPolarHBondContact CA-OE1 3.22Å; G599-E618 WeakPolarHBondContact CA-OE2 3.46Å; G599-E618 PolarHBondContact N-OE1 3.43Å; G599-E618 PolarHBondContact N-OE2 2.68Å; I616-E618 WeakPolarHBondContact CB-OE2 3.42Å; I616-E618 HydrophobicContact CD1-CB 4.14Å; E618-P620 WeakPolarHBondContact O-CD 3.33Å; E618-W764 HydrophobicContact CG-CH2 4.3Å; E618-W764 VanDerWaalsContact OE1-CH2 3.28Å; E618-W764 WeakPolarHBondContact OE1-CH2 3.35Å; E618-W764 WeakPolarHBondContact OE1-CZ2 3.38Å; E618-L765 HydrophobicContact CB-CD1 4.46Å; E618-L765 HydrophobicContact CB-CD2 3.92Å; E618-L765 HydrophobicContact CG-CD2 4.47Å
619	E	92.3	Very high	94.2	Very high	24 Å²	24	36.4 Å²	36.4	11%	0.112	19%	0.189	C	C	.	.	S	Bend	trans	-119.5	89.4	175.6	-170.4	-178.3	123.7	0	0	108.5	I616 F617 F621 R768 R772 Y781	I616-E619 HydrophobicContact CD1-CB 4.12Å; I616-E619 HydrophobicContact CG1-CB 3.8Å; F617-E619 PolarHBondContact O-N 3.43Å; E619-F621 PolarHBondContact O-N 3.29Å; E619-R768 IonicContact OE1-CZ 3.65Å; E619-R768 IonicContact OE1-NH2 2.62Å; E619-R768 PolarHBondContact OE1-NH2 2.75Å; E619-R768 IonicContact OE2-CZ 3.48Å; E619-R768 IonicContact OE2-NE 3.4Å; E619-R768 PolarHBondContact OE2-NE 3.4Å; E619-R768 IonicContact OE2-NH2 3.29Å; E619-R768 PolarHBondContact OE2-NH2 3.25Å; E619-R772 IonicContact OE1-CZ 3.58Å; E619-R772 IonicContact OE1-NE 2.8Å; E619-R772 PolarHBondContact OE1-NE 2.9Å; E619-R772 IonicContact OE1-NH2 3.63Å; E619-R772 PolarHBondContact OE1-NH2 2.7Å; E619-Y781 HydrophobicContact CG-CD1 3.52Å; E619-Y781 HydrophobicContact CG-CE1 3.68Å; E619-Y781 HydrophobicContact CG-CG 4.29Å
620	P	91.8	Very high	94	Very high	106 Å²	106	36.5 Å²	36.5	69%	0.688	19%	0.19	S	C	*	.			trans	-57.2	134.6	178.7	-24.3	33.7	0	0	0	111	E618	E618-P620 WeakPolarHBondContact O-CD 3.33Å
621	F	94	Very high	93.9	Very high	10 Å²	10	39.8 Å²	39.8	4%	0.044	21%	0.206	C	C	.	.			trans	-127.9	151.1	-180	61.9	-79.8	0	0	0	110.6	Y615 E619 D625 L626 A652 N653 Y656	Y615-F621 HydrophobicContact CD1-CB 4.32Å; Y615-F621 HydrophobicContact CD1-CD1 4.06Å; Y615-F621 AromaticContact CD1-CD2 3.77Å; Y615-F621 HydrophobicContact CD1-CD2 3.77Å; Y615-F621 HydrophobicContact CD1-CE1 4.35Å; Y615-F621 HydrophobicContact CD1-CE2 4.04Å; Y615-F621 AromaticContact CD1-CG 3.77Å; Y615-F621 HydrophobicContact CD1-CG 3.77Å; Y615-F621 HydrophobicContact CD1-CZ 4.33Å; Y615-F621 HydrophobicContact CE1-CD2 4.26Å; Y615-F621 HydrophobicContact CE1-CG 4.48Å; Y615-F621 HydrophobicContact CG-CD1 4.42Å; Y615-F621 HydrophobicContact CG-CD2 4.27Å; Y615-F621 HydrophobicContact CG-CE1 4.26Å; Y615-F621 HydrophobicContact CG-CE2 4.06Å; Y615-F621 HydrophobicContact CG-CG 4.44Å; Y615-F621 HydrophobicContact CG-CZ 4.06Å; E619-F621 PolarHBondContact O-N 3.29Å; F621-D625 HydrophobicContact CB-CB 4.21Å; F621-L626 HydrophobicContact CD2-CD2 3.93Å; F621-L626 HydrophobicContact CD2-CG 4.2Å; F621-L626 HydrophobicContact CE2-CD2 4.04Å; F621-L626 HydrophobicContact CE2-CG 4.47Å; F621-A652 HydrophobicContact CE1-CB 3.98Å; F621-A652 HydrophobicContact CZ-CB 4.35Å; F621-N653 HydrophobicContact CE1-CB 3.85Å; F621-N653 HydrophobicContact CE2-CB 4.37Å; F621-N653 HydrophobicContact CZ-CB 3.52Å; F621-Y656 HydrophobicContact CD2-CD2 4.03Å; F621-Y656 AromaticContact CE2-CD2 3.62Å; F621-Y656 HydrophobicContact CE2-CD2 3.62Å; F621-Y656 HydrophobicContact CE2-CG 4.1Å; F621-Y656 HydrophobicContact CZ-CD2 4.25Å
622	T	94.1	Very high	93.6	Very high	67 Å²	67	41.3 Å²	41.3	41%	0.411	21%	0.212	S	C	.	.			trans	-115.6	177.5	-175.4	70.2	0	0	0	0	111	D624 D625 L626	T622-D624 PolarHBondContact O-N 2.88Å; T622-D624 PolarHBondContact OG1-N 3.31Å; T622-D625 WeakPolarHBondContact CB-OD2 3.49Å; T622-D625 PolarHBondContact N-OD2 2.74Å; T622-D625 PolarHBondContact O-N 3.12Å; T622-D625 PolarHBondContact OG1-OD2 2.86Å; T622-L626 PolarHBondContact O-N 3.02Å
623	I	94.4	Very high	93.6	Very high	74 Å²	74	41.1 Å²	41.1	38%	0.379	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-27.3	173.6	-165.6	60.8	0	0	0	112.2	L626 R627 F660 L664	I623-L626 HydrophobicContact CD1-CD1 4.18Å; I623-R627 WeakPolarHBondContact O-CB 3.5Å; I623-R627 PolarHBondContact O-N 3.34Å; I623-F660 HydrophobicContact CD1-CE1 4.28Å; I623-F660 HydrophobicContact CD1-CZ 4.25Å; I623-L664 HydrophobicContact CD1-CD2 3.81Å
624	D	93	Very high	93.4	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	23%	0.225	S	C	.	.	H	α-helix	trans	-68	-40.4	177.6	-70.9	-52.4	0	0	0	110.9	T622 R627 E628	T622-D624 PolarHBondContact O-N 2.88Å; T622-D624 PolarHBondContact OG1-N 3.31Å; D624-R627 WeakPolarHBondContact O-CB 3.44Å; D624-R627 PolarHBondContact O-N 3.09Å; D624-R627 IonicContact OD1-CZ 2.75Å; D624-R627 IonicContact OD1-NH1 3.5Å; D624-R627 PolarHBondContact OD1-NH1 3.08Å; D624-R627 IonicContact OD1-NH2 2.74Å; D624-R627 PolarHBondContact OD1-NH2 3.21Å; D624-E628 WeakPolarHBondContact O-CG 3.23Å; D624-E628 PolarHBondContact O-N 3.29Å
625	D	92.9	Very high	92.9	Very high	22 Å²	22	48 Å²	48	12%	0.118	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-46.2	175.2	-57.1	-71.2	0	0	0	111.5	F621 T622 R627 E628 D629 Y781	F621-D625 HydrophobicContact CB-CB 4.21Å; T622-D625 WeakPolarHBondContact CB-OD2 3.49Å; T622-D625 PolarHBondContact N-OD2 2.74Å; T622-D625 PolarHBondContact O-N 3.12Å; T622-D625 PolarHBondContact OG1-OD2 2.86Å; D625-R627 VanDerWaalsContact C-N 3.26Å; D625-R627 PolarHBondContact O-N 3.35Å; D625-E628 PolarHBondContact O-N 3.04Å; D625-D629 VanDerWaalsContact O-CG 3.27Å; D625-D629 PolarHBondContact O-N 3.26Å; D625-Y781 PolarHBondContact OD1-OH 3.36Å; D625-Y781 PolarHBondContact OD2-OH 3.35Å
626	L	94.3	Very high	92.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-41	174.7	-63.8	-178.5	0	0	0	111.3	Y615 F621 T622 I623 D629 V630 Y656 F660 I661 L664 Y665	Y615-L626 HydrophobicContact CD1-CD2 4.33Å; Y615-L626 HydrophobicContact CD2-CD2 4.38Å; Y615-L626 HydrophobicContact CE1-CD2 3.68Å; Y615-L626 HydrophobicContact CE2-CD2 3.67Å; F621-L626 HydrophobicContact CD2-CD2 3.93Å; F621-L626 HydrophobicContact CD2-CG 4.2Å; F621-L626 HydrophobicContact CE2-CD2 4.04Å; F621-L626 HydrophobicContact CE2-CG 4.47Å; T622-L626 PolarHBondContact O-N 3.02Å; I623-L626 HydrophobicContact CD1-CD1 4.18Å; L626-D629 PolarHBondContact O-N 3.35Å; L626-V630 WeakPolarHBondContact O-CG2 3.37Å; L626-V630 PolarHBondContact O-N 3.38Å; L626-Y656 HydrophobicContact CD1-CD1 4.43Å; L626-Y656 HydrophobicContact CD1-CG 4.24Å; L626-F660 HydrophobicContact CD1-CE1 4.12Å; L626-I661 HydrophobicContact CD1-CG1 4.37Å; L626-I661 HydrophobicContact CD2-CD1 4.41Å; L626-I661 HydrophobicContact CD2-CG1 4.33Å; L626-L664 HydrophobicContact CB-CD2 3.87Å; L626-L664 HydrophobicContact CD1-CD2 3.97Å; L626-Y665 HydrophobicContact CB-CE1 4.41Å; L626-Y665 PolarHBondContact O-OH 2.91Å
627	R	92.3	Very high	91.9	Very high	141 Å²	141	49.6 Å²	49.6	53%	0.532	26%	0.256	S	S	.	.	H	α-helix	trans	-65	-45	177.2	-175.6	-174.2	65.9	-150.5	-11.3	111.3	I623 D624 D625 D629 V630 V631	I623-R627 WeakPolarHBondContact O-CB 3.5Å; I623-R627 PolarHBondContact O-N 3.34Å; D624-R627 WeakPolarHBondContact O-CB 3.44Å; D624-R627 PolarHBondContact O-N 3.09Å; D624-R627 IonicContact OD1-CZ 2.75Å; D624-R627 IonicContact OD1-NH1 3.5Å; D624-R627 PolarHBondContact OD1-NH1 3.08Å; D624-R627 IonicContact OD1-NH2 2.74Å; D624-R627 PolarHBondContact OD1-NH2 3.21Å; D625-R627 VanDerWaalsContact C-N 3.26Å; D625-R627 PolarHBondContact O-N 3.35Å; R627-D629 VanDerWaalsContact C-N 3.31Å; R627-D629 PolarHBondContact O-N 3.38Å; R627-V630 PolarHBondContact O-N 3.11Å; R627-V631 WeakPolarHBondContact O-CG2 3.22Å; R627-V631 PolarHBondContact O-N 3.38Å
628	E	91.7	Very high	91.1	Very high	88 Å²	88	51.4 Å²	51.4	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-58.5	-44.6	176.3	-76.9	-174.8	-174.7	0	0	111.5	D624 D625 V630 V631 H632 S779	D624-E628 WeakPolarHBondContact O-CG 3.23Å; D624-E628 PolarHBondContact O-N 3.29Å; D625-E628 PolarHBondContact O-N 3.04Å; E628-V630 PolarHBondContact O-N 3.18Å; E628-V631 PolarHBondContact O-N 2.85Å; E628-H632 WeakPolarHBondContact O-CB 3.45Å; E628-H632 PolarHBondContact O-N 3.26Å; E628-S779 PolarHBondContact OE2-OG 3.19Å
629	D	92.6	Very high	90.1	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.032	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-38.7	179.2	-69	-18.8	0	0	0	111.9	Y615 D625 L626 R627 H632 L633 Y665 H777	Y615-D629 VanDerWaalsContact CE1-OD2 3.31Å; Y615-D629 WeakPolarHBondContact CE1-OD2 3.48Å; Y615-D629 VanDerWaalsContact CZ-OD2 3.28Å; Y615-D629 WeakPolarHBondContact OH-CB 3.34Å; Y615-D629 PolarHBondContact OH-OD2 2.76Å; D625-D629 VanDerWaalsContact O-CG 3.27Å; D625-D629 PolarHBondContact O-N 3.26Å; L626-D629 PolarHBondContact O-N 3.35Å; R627-D629 VanDerWaalsContact C-N 3.31Å; R627-D629 PolarHBondContact O-N 3.38Å; D629-H632 PolarHBondContact O-N 3.21Å; D629-L633 WeakPolarHBondContact O-CB 3.43Å; D629-L633 VanDerWaalsContact O-CG 3.29Å; D629-L633 WeakPolarHBondContact O-CG 3.46Å; D629-L633 PolarHBondContact O-N 2.8Å; D629-Y665 VanDerWaalsContact CB-OH 3.28Å; D629-Y665 WeakPolarHBondContact CB-OH 3.3Å; D629-H777 IonicContact OD1-CE1 3.23Å; D629-H777 PolarHBondContact OD1-CE1 2.8Å; D629-H777 IonicContact OD1-ND1 3.17Å; D629-H777 PolarHBondContact OD1-ND1 3.02Å; D629-H777 IonicContact OD1-NE2 3.73Å
630	V	92.3	Very high	89.2	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-45.7	172.2	173.3	0	0	0	0	111.4	L626 R627 E628 H632 L633 R634 Y665 E668 F673	L626-V630 WeakPolarHBondContact O-CG2 3.37Å; L626-V630 PolarHBondContact O-N 3.38Å; R627-V630 PolarHBondContact O-N 3.11Å; E628-V630 PolarHBondContact O-N 3.18Å; V630-H632 VanDerWaalsContact C-N 3.28Å; V630-H632 PolarHBondContact O-N 2.71Å; V630-L633 PolarHBondContact O-N 3.04Å; V630-R634 HydrophobicContact CG1-CG 4.2Å; V630-R634 VanDerWaalsContact O-CG 3.31Å; V630-R634 WeakPolarHBondContact O-CG 3.33Å; V630-R634 PolarHBondContact O-N 3.24Å; V630-Y665 HydrophobicContact CG2-CD1 3.32Å; V630-Y665 HydrophobicContact CG2-CD2 3.83Å; V630-Y665 HydrophobicContact CG2-CE1 3.22Å; V630-Y665 HydrophobicContact CG2-CE2 3.76Å; V630-Y665 HydrophobicContact CG2-CG 3.61Å; V630-Y665 VanDerWaalsContact CG2-CZ 3.44Å; V630-E668 HydrophobicContact CG1-CB 3.64Å; V630-F673 HydrophobicContact CG1-CZ 4.4Å
631	V	91.3	Very high	88.1	Confident	89 Å²	89	55.6 Å²	55.6	54%	0.539	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-43.3	178.4	169.3	0	0	0	0	110.3	R627 E628 R634 A635	R627-V631 WeakPolarHBondContact O-CG2 3.22Å; R627-V631 PolarHBondContact O-N 3.38Å; E628-V631 PolarHBondContact O-N 2.85Å; V631-R634 PolarHBondContact O-N 3.32Å; V631-A635 PolarHBondContact O-N 2.88Å
632	H	89.4	Confident	87.3	Confident	35 Å²	35	60 Å²	60	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-48.9	174	176.5	78.8	0	0	0	111.7	E628 D629 V630 R634 A635 K636 A775 K776 H777	E628-H632 WeakPolarHBondContact O-CB 3.45Å; E628-H632 PolarHBondContact O-N 3.26Å; D629-H632 PolarHBondContact O-N 3.21Å; V630-H632 VanDerWaalsContact C-N 3.28Å; V630-H632 PolarHBondContact O-N 2.71Å; H632-R634 PolarHBondContact O-N 3.38Å; H632-A635 PolarHBondContact O-N 2.97Å; H632-K636 VanDerWaalsContact O-CB 3.32Å; H632-K636 WeakPolarHBondContact O-CB 3.36Å; H632-K636 PolarHBondContact O-N 3.2Å; H632-A775 PolarHBondContact CE1-O 3.45Å; H632-A775 PolarHBondContact NE2-O 3.26Å; H632-K776 PolarHBondContact CE1-O 2.87Å; H632-K776 PolarHBondContact ND1-O 3.15Å; H632-H777 AromaticContact CD2-NE2 3.68Å; H632-H777 AromaticContact CG-CE1 3.84Å; H632-H777 AromaticContact CG-NE2 3.93Å
633	L	90.8	Very high	87	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-39.3	178.1	-76.2	170.8	0	0	0	112.8	V588 D612 D629 V630 K636 I637 V646 Y665 F673	V588-L633 HydrophobicContact CG1-CD1 3.99Å; V588-L633 HydrophobicContact CG2-CD1 4.32Å; D612-L633 HydrophobicContact CB-CD2 3.85Å; D612-L633 WeakPolarHBondContact OD2-CD2 3.36Å; D629-L633 WeakPolarHBondContact O-CB 3.43Å; D629-L633 VanDerWaalsContact O-CG 3.29Å; D629-L633 WeakPolarHBondContact O-CG 3.46Å; D629-L633 PolarHBondContact O-N 2.8Å; V630-L633 PolarHBondContact O-N 3.04Å; L633-K636 PolarHBondContact O-N 3.49Å; L633-I637 WeakPolarHBondContact O-CB 3.42Å; L633-I637 VanDerWaalsContact O-CG1 3.3Å; L633-I637 WeakPolarHBondContact O-CG1 3.01Å; L633-I637 PolarHBondContact O-N 3.48Å; L633-V646 HydrophobicContact CD1-CG2 4Å; L633-Y665 HydrophobicContact CD1-CD2 3.93Å; L633-Y665 HydrophobicContact CD1-CE2 3.58Å; L633-F673 HydrophobicContact CB-CE1 4.17Å; L633-F673 HydrophobicContact CB-CZ 4.46Å
634	R	90.4	Very high	86.8	Confident	88 Å²	88	55.1 Å²	55.1	33%	0.332	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-51.2	175	-72.6	176.5	70.1	150.6	1.3	110.4	V630 V631 H632 K636 I637 D638 E668 I672 F673	V630-R634 HydrophobicContact CG1-CG 4.2Å; V630-R634 VanDerWaalsContact O-CG 3.31Å; V630-R634 WeakPolarHBondContact O-CG 3.33Å; V630-R634 PolarHBondContact O-N 3.24Å; V631-R634 PolarHBondContact O-N 3.32Å; H632-R634 PolarHBondContact O-N 3.38Å; R634-K636 VanDerWaalsContact C-N 3.34Å; R634-K636 PolarHBondContact O-N 3.01Å; R634-I637 PolarHBondContact O-N 3.03Å; R634-D638 WeakPolarHBondContact O-CB 3.05Å; R634-D638 PolarHBondContact O-N 3.34Å; R634-E668 WeakPolarHBondContact CD-O 3.33Å; R634-E668 PolarHBondContact NH1-O 3.22Å; R634-I672 HydrophobicContact CB-CD1 4.03Å; R634-I672 HydrophobicContact CG-CD1 4.07Å; R634-F673 HydrophobicContact CG-CD1 4.42Å; R634-F673 HydrophobicContact CG-CE1 3.68Å
635	A	87.3	Confident	86.9	Confident	64 Å²	64	51.9 Å²	51.9	53%	0.529	26%	0.261	S	S	.	.	H	α-helix	trans	-60.8	-43.1	178.8	0	0	0	0	0	112.2	V631 H632 I637 D639	V631-A635 PolarHBondContact O-N 2.88Å; H632-A635 PolarHBondContact O-N 2.97Å; A635-I637 PolarHBondContact O-N 2.85Å; A635-D639 PolarHBondContact O-N 3.03Å
636	K	86.3	Confident	87	Confident	38 Å²	38	50.9 Å²	50.9	17%	0.165	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-41.9	178.4	174.8	-176.1	166.4	-166.1	0	112.9	D612 H632 L633 R634 V641 R643	D612-K636 IonicContact OD1-NZ 2.71Å; D612-K636 PolarHBondContact OD1-NZ 3.28Å; D612-K636 IonicContact OD2-NZ 3.28Å; D612-K636 PolarHBondContact OD2-NZ 3.39Å; H632-K636 VanDerWaalsContact O-CB 3.32Å; H632-K636 WeakPolarHBondContact O-CB 3.36Å; H632-K636 PolarHBondContact O-N 3.2Å; L633-K636 PolarHBondContact O-N 3.49Å; R634-K636 VanDerWaalsContact C-N 3.34Å; R634-K636 PolarHBondContact O-N 3.01Å; K636-V641 HydrophobicContact CG-CB 3.9Å; K636-V641 HydrophobicContact CG-CG1 4.35Å; K636-V641 HydrophobicContact CG-CG2 4.44Å; K636-V641 PolarHBondContact O-N 3.28Å; K636-R643 WeakPolarHBondContact CE-O 3.2Å; K636-R643 PolarHBondContact NZ-O 2.91Å; K636-R643 VanDerWaalsContact NZ-O 3.16Å
637	I	85.7	Confident	87.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-77.8	-30.3	-177.2	-69.2	171.2	0	0	0	112.1	R586 V588 L633 R634 A635 V641 I672 F673	R586-I637 HydrophobicContact CB-CG2 3.78Å; R586-I637 HydrophobicContact CG-CG2 3.73Å; V588-I637 HydrophobicContact CG2-CD1 3.59Å; L633-I637 WeakPolarHBondContact O-CB 3.42Å; L633-I637 VanDerWaalsContact O-CG1 3.3Å; L633-I637 WeakPolarHBondContact O-CG1 3.01Å; L633-I637 PolarHBondContact O-N 3.48Å; R634-I637 PolarHBondContact O-N 3.03Å; A635-I637 PolarHBondContact O-N 2.85Å; I637-V641 WeakPolarHBondContact CA-O 3.46Å; I637-V641 WeakPolarHBondContact CG1-O 3.27Å; I637-I672 HydrophobicContact CB-CG2 4.27Å; I637-I672 HydrophobicContact CG2-CG2 4Å; I637-F673 HydrophobicContact CD1-CB 3.74Å; I637-F673 HydrophobicContact CD1-CD1 3.57Å; I637-F673 HydrophobicContact CD1-CE1 4.33Å; I637-F673 HydrophobicContact CD1-CG 3.79Å; I637-F673 HydrophobicContact CG2-CB 4.32Å
638	D	81.5	Confident	87.4	Confident	100 Å²	100	44.7 Å²	44.7	54%	0.535	23%	0.232	S	C	.	.	H	α-helix	trans	-70.7	-34.7	178.5	-159.5	43.7	0	0	0	112.7	R634	R634-D638 WeakPolarHBondContact O-CB 3.05Å; R634-D638 PolarHBondContact O-N 3.34Å
639	D	74.5	Confident	87.7	Confident	114 Å²	114	40.5 Å²	40.5	61%	0.61	21%	0.212	S	C	*	.	H	α-helix	trans	-65.6	-78.4	177.5	-175.5	14.6	0	0	0	111.7	A635	A635-D639 PolarHBondContact O-N 3.03Å
640	N	72.4	Confident	87.9	Confident	122 Å²	122	42.2 Å²	42.2	65%	0.652	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-156.4	-8	179.2	-91.5	-52.8	0	0	0	115.3	K642	N640-K642 PolarHBondContact O-N 2.96Å
641	V	70	Confident	88.1	Confident	27 Å²	27	47.7 Å²	47.7	16%	0.164	24%	0.241	C	C	.	.			trans	-92.4	97.4	-176	-174.3	0	0	0	0	110	K636 I637 R643	K636-V641 HydrophobicContact CG-CB 3.9Å; K636-V641 HydrophobicContact CG-CG1 4.35Å; K636-V641 HydrophobicContact CG-CG2 4.44Å; K636-V641 PolarHBondContact O-N 3.28Å; I637-V641 WeakPolarHBondContact CA-O 3.46Å; I637-V641 WeakPolarHBondContact CG1-O 3.27Å; V641-R643 HydrophobicContact CG1-CG 4.49Å; V641-R643 PolarHBondContact O-N 3.19Å
642	K	76.5	Confident	88.4	Confident	103 Å²	103	43.7 Å²	43.7	45%	0.448	22%	0.218	S	C	.	.			trans	-72.2	14.8	-170.7	-61.6	177.7	-177.9	167.3	0	116.4	R586 R587 N640	R586-K642 VanDerWaalsContact CA-O 3.22Å; R586-K642 WeakPolarHBondContact CA-O 3.45Å; R586-K642 PolarHBondContact N-O 3.41Å; R587-K642 PolarHBondContact N-O 3.24Å; N640-K642 PolarHBondContact O-N 2.96Å
643	R	87.4	Confident	88.7	Confident	33 Å²	33	44 Å²	44	13%	0.125	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.3	-177.1	71	-178.5	-168.5	-174.7	5.8	113	A581 R587 K636 V641	A581-R643 HydrophobicContact CB-CB 3.95Å; R587-R643 CarbonylContact O-C 3.58Å; R587-R643 VanDerWaalsContact O-CA 3.28Å; R587-R643 WeakPolarHBondContact O-CA 3.42Å; K636-R643 WeakPolarHBondContact CE-O 3.2Å; K636-R643 PolarHBondContact NZ-O 2.91Å; K636-R643 VanDerWaalsContact NZ-O 3.16Å; V641-R643 HydrophobicContact CG1-CG 4.49Å; V641-R643 PolarHBondContact O-N 3.19Å
644	G	90.8	Very high	88.9	Confident	4 Å²	4	51.9 Å²	51.9	4%	0.041	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.5	166.8	0	0	0	0	0	111.7	R587 V588 F589 D612	R587-G644 PolarHBondContact O-N 3.5Å; V588-G644 WeakPolarHBondContact CA-O 3.38Å; F589-G644 PolarHBondContact N-O 3.43Å; D612-G644 VanDerWaalsContact OD2-CA 3.28Å; D612-G644 WeakPolarHBondContact OD2-CA 3.25Å
645	L	94	Very high	89.2	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.8	176.2	177.5	65.7	0	0	0	109.5	L574 K578 F589 V591 A611 D612 L647	L574-L645 HydrophobicContact CB-CD2 4.43Å; L574-L645 HydrophobicContact CD1-CD2 4.27Å; L574-L645 HydrophobicContact CD2-CD1 3.94Å; L574-L645 HydrophobicContact CD2-CD2 4.07Å; L574-L645 HydrophobicContact CG-CD2 4.49Å; K578-L645 HydrophobicContact CD-CD2 4.3Å; K578-L645 HydrophobicContact CG-CD2 4.43Å; F589-L645 HydrophobicContact CB-CD1 4.19Å; V591-L645 HydrophobicContact CG2-CD1 3.71Å; A611-L645 HydrophobicContact CB-CB 4.36Å; A611-L645 HydrophobicContact CB-CD2 3.96Å; A611-L645 HydrophobicContact CB-CG 3.93Å; D612-L645 WeakPolarHBondContact CB-O 3.43Å; D612-L645 PolarHBondContact N-O 2.93Å; D612-L645 PolarHBondContact OD2-N 2.78Å; L645-L647 HydrophobicContact CD1-CD1 4.26Å; L645-L647 HydrophobicContact CD2-CD1 4.13Å; L645-L647 HydrophobicContact CG-CD1 3.9Å
646	V	96	Very high	89.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.8	-179.9	177.1	0	0	0	0	107.7	V588 F589 V590 V591 A613 Y615 L633 Y665	V588-V646 HydrophobicContact CG1-CG2 4.36Å; F589-V646 PolarHBondContact O-N 3.37Å; V590-V646 CarbonylContact C-O 3.2Å; V590-V646 WeakPolarHBondContact CA-O 3.36Å; V590-V646 HydrophobicContact CG2-CB 4.48Å; V591-V646 PolarHBondContact N-O 2.95Å; A613-V646 HydrophobicContact CB-CG1 4.26Å; A613-V646 HydrophobicContact CB-CG2 4.41Å; A613-V646 WeakPolarHBondContact O-CA 3.35Å; Y615-V646 HydrophobicContact CD2-CG1 3.96Å; Y615-V646 HydrophobicContact CE2-CG1 3.42Å; Y615-V646 VanDerWaalsContact CE2-CG1 3.42Å; L633-V646 HydrophobicContact CD1-CG2 4Å; V646-Y665 HydrophobicContact CG2-CE2 3.99Å
647	L	97.5	Very high	90.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	150.1	172.9	-82.2	76.8	0	0	0	110.4	L574 V591 T593 A602 A606 A611 A613 A614 Y615 L645	L574-L647 HydrophobicContact CD1-CD1 4.21Å; L574-L647 HydrophobicContact CD1-CD2 4.21Å; L574-L647 HydrophobicContact CD2-CD1 4.24Å; V591-L647 HydrophobicContact CB-CG 4.42Å; V591-L647 CarbonylContact O-C 3.59Å; V591-L647 WeakPolarHBondContact O-CA 3.48Å; T593-L647 HydrophobicContact CG2-CD2 3.93Å; A602-L647 WeakPolarHBondContact O-CD2 3.17Å; A606-L647 HydrophobicContact CB-CB 4.48Å; A606-L647 HydrophobicContact CB-CD1 4.29Å; A606-L647 HydrophobicContact CB-CD2 4.23Å; A611-L647 HydrophobicContact CB-CD1 3.51Å; A613-L647 PolarHBondContact O-N 3.39Å; A614-L647 CarbonylContact C-O 3.57Å; A614-L647 VanDerWaalsContact CA-O 3.25Å; A614-L647 WeakPolarHBondContact CA-O 3.35Å; A614-L647 HydrophobicContact CB-CB 4.22Å; Y615-L647 PolarHBondContact N-O 3.27Å; L645-L647 HydrophobicContact CD1-CD1 4.26Å; L645-L647 HydrophobicContact CD2-CD1 4.13Å; L645-L647 HydrophobicContact CG-CD1 3.9Å
648	R	97.8	Very high	90.6	Very high	11 Å²	11	56.2 Å²	56.2	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	127.1	173.9	-175.2	-136.9	174.5	-136.9	-13.8	108.9	V591 E592 T593 Y615 E650 A652 N653 Y656 S658 I661	V591-R648 PolarHBondContact O-N 3.01Å; E592-R648 CarbonylContact C-O 3.56Å; E592-R648 VanDerWaalsContact CA-O 3.27Å; E592-R648 WeakPolarHBondContact CA-O 3.34Å; E592-R648 IonicContact OE2-NH1 3.45Å; E592-R648 PolarHBondContact OE2-NH1 3.38Å; T593-R648 PolarHBondContact N-O 2.79Å; Y615-R648 HydrophobicContact CD2-CB 4.43Å; Y615-R648 WeakPolarHBondContact O-CA 3.21Å; R648-E650 PolarHBondContact NH1-O 2.72Å; R648-E650 PolarHBondContact NH2-O 2.82Å; R648-A652 HydrophobicContact CG-CB 4.11Å; R648-N653 PolarHBondContact NH2-O 3.13Å; R648-Y656 PolarHBondContact NE-O 3.36Å; R648-Y656 VanDerWaalsContact NE-O 3.14Å; R648-S658 WeakPolarHBondContact CD-OG 3.27Å; R648-S658 PolarHBondContact NH1-OG 3.29Å; R648-I661 HydrophobicContact CG-CD1 4.2Å
649	A	97.9	Very high	91.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	143.6	167.9	0	0	0	0	0	110.3	A602 Y615 Y651 A652	A602-A649 HydrophobicContact CB-CB 4.03Å; Y615-A649 PolarHBondContact O-N 3.38Å; A649-Y651 VanDerWaalsContact C-N 3.26Å; A649-Y651 PolarHBondContact O-N 3.43Å; A649-Y651 VanDerWaalsContact O-N 3.15Å; A649-A652 HydrophobicContact CB-CB 4.21Å; A649-A652 VanDerWaalsContact O-CB 3.23Å; A649-A652 WeakPolarHBondContact O-CB 3.48Å; A649-A652 PolarHBondContact O-N 3.25Å
650	E	95.8	Very high	92.3	Very high	43 Å²	43	53.7 Å²	53.7	20%	0.201	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.2	-174.7	63.9	-170.4	160.6	0	0	114.1	E592 T593 G595 G596 R648	E592-E650 HydrophobicContact CG-CB 4.29Å; T593-E650 PolarHBondContact O-N 2.87Å; G595-E650 PolarHBondContact N-OE1 3.34Å; G595-E650 VanDerWaalsContact N-OE1 3.13Å; G596-E650 WeakPolarHBondContact CA-OE1 3.45Å; G596-E650 PolarHBondContact N-OE1 2.97Å; R648-E650 PolarHBondContact NH1-O 2.72Å; R648-E650 PolarHBondContact NH2-O 2.82Å
651	Y	97	Very high	93.5	Very high	118 Å²	118	47.9 Å²	47.9	46%	0.463	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	21.8	177.4	-53.6	-27	0	0	0	114.2	G596 Y597 A649 N653	G596-Y651 VanDerWaalsContact CA-CD2 3.45Å; G596-Y651 WeakPolarHBondContact O-CB 3.28Å; G596-Y651 PolarHBondContact O-N 2.87Å; Y597-Y651 HydrophobicContact CD1-CD2 4.44Å; Y597-Y651 AromaticContact CD2-CD2 3.88Å; Y597-Y651 HydrophobicContact CD2-CD2 3.88Å; Y597-Y651 HydrophobicContact CE1-CD2 4.4Å; Y597-Y651 HydrophobicContact CE1-CG 4.39Å; Y597-Y651 AromaticContact CE2-CD2 3.83Å; Y597-Y651 HydrophobicContact CE2-CD2 3.83Å; Y597-Y651 HydrophobicContact CE2-CE2 4.49Å; Y597-Y651 HydrophobicContact CG-CD2 4.2Å; A649-Y651 VanDerWaalsContact C-N 3.26Å; A649-Y651 PolarHBondContact O-N 3.43Å; A649-Y651 VanDerWaalsContact O-N 3.15Å; Y651-N653 PolarHBondContact O-N 3.39Å
652	A	97	Very high	94.8	Very high	6 Å²	6	48.2 Å²	48.2	5%	0.05	21%	0.213	C	C	.	.	S	Bend	trans	-54.2	-40.9	178.1	0	0	0	0	0	112.7	Y615 F621 R648 A649	Y615-A652 WeakPolarHBondContact O-CB 3.15Å; F621-A652 HydrophobicContact CE1-CB 3.98Å; F621-A652 HydrophobicContact CZ-CB 4.35Å; R648-A652 HydrophobicContact CG-CB 4.11Å; A649-A652 HydrophobicContact CB-CB 4.21Å; A649-A652 VanDerWaalsContact O-CB 3.23Å; A649-A652 WeakPolarHBondContact O-CB 3.48Å; A649-A652 PolarHBondContact O-N 3.25Å
653	N	96.8	Very high	95.7	Very high	40 Å²	40	48.5 Å²	48.5	21%	0.214	22%	0.217	C	C	.	.			trans	-154.2	142.7	172.9	-170.3	-71	0	0	0	109.8	F621 R648 Y651 Y655 Y656	F621-N653 HydrophobicContact CE1-CB 3.85Å; F621-N653 HydrophobicContact CE2-CB 4.37Å; F621-N653 HydrophobicContact CZ-CB 3.52Å; R648-N653 PolarHBondContact NH2-O 3.13Å; Y651-N653 PolarHBondContact O-N 3.39Å; N653-Y655 PolarHBondContact OD1-N 2.91Å; N653-Y656 HydrophobicContact CB-CD2 4.17Å; N653-Y656 HydrophobicContact CB-CG 4.48Å; N653-Y656 PolarHBondContact OD1-N 3.37Å
654	K	95	Very high	96.1	Very high	168 Å²	168	48.7 Å²	48.7	73%	0.73	22%	0.22	S	C	*	.	S	Bend	trans	-67.6	-36.3	-179.4	-177	176.7	179	-178.5	0	113.5
655	Y	95.9	Very high	96.3	Very high	168 Å²	168	48.5 Å²	48.5	66%	0.659	22%	0.218	S	C	*	.	S	Bend	trans	-102.3	-36.5	-173.1	-56.1	-66.7	0	0	0	112.2	N653 T657	N653-Y655 PolarHBondContact OD1-N 2.91Å; Y655-T657 PolarHBondContact O-N 3.35Å
656	Y	96.1	Very high	96.3	Very high	58 Å²	58	49.6 Å²	49.6	23%	0.227	23%	0.228	C	C	.	.	S	Bend	trans	-82.7	73.2	173.8	-49.7	-40.6	0	0	0	110.1	F621 L626 R648 N653 F660	F621-Y656 HydrophobicContact CD2-CD2 4.03Å; F621-Y656 AromaticContact CE2-CD2 3.62Å; F621-Y656 HydrophobicContact CE2-CD2 3.62Å; F621-Y656 HydrophobicContact CE2-CG 4.1Å; F621-Y656 HydrophobicContact CZ-CD2 4.25Å; L626-Y656 HydrophobicContact CD1-CD1 4.43Å; L626-Y656 HydrophobicContact CD1-CG 4.24Å; R648-Y656 PolarHBondContact NE-O 3.36Å; R648-Y656 VanDerWaalsContact NE-O 3.14Å; N653-Y656 HydrophobicContact CB-CD2 4.17Å; N653-Y656 HydrophobicContact CB-CG 4.48Å; N653-Y656 PolarHBondContact OD1-N 3.37Å; Y656-F660 AromaticContact CD1-CD1 3.84Å; Y656-F660 HydrophobicContact CD1-CD1 3.84Å; Y656-F660 AromaticContact CD1-CE1 3.6Å; Y656-F660 HydrophobicContact CD1-CE1 3.6Å; Y656-F660 HydrophobicContact CD1-CZ 4.27Å; Y656-F660 HydrophobicContact CE1-CE1 4.15Å; Y656-F660 HydrophobicContact CE1-CZ 4.48Å; Y656-F660 HydrophobicContact CG-CD1 4.5Å; Y656-F660 HydrophobicContact CG-CE1 4.5Å
657	T	96.3	Very high	96.3	Very high	54 Å²	54	54.9 Å²	54.9	33%	0.331	25%	0.253	S	S	.	.			trans	-72.4	163	177.3	67.2	0	0	0	0	111.3	Y655 E659 F660 I661	Y655-T657 PolarHBondContact O-N 3.35Å; T657-E659 PolarHBondContact O-N 3.42Å; T657-F660 WeakPolarHBondContact O-CB 3.5Å; T657-F660 PolarHBondContact O-N 2.67Å; T657-F660 VanDerWaalsContact O-N 3.09Å; T657-F660 PolarHBondContact OG1-N 3.32Å; T657-F660 VanDerWaalsContact OG1-N 3.09Å; T657-I661 WeakPolarHBondContact O-CG1 3.46Å; T657-I661 PolarHBondContact O-N 3.2Å
658	S	96.2	Very high	96.1	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-35.7	174	-56.1	0	0	0	0	112.1	E592 R648 H662 C677	E592-S658 WeakPolarHBondContact CB-OG 3.31Å; E592-S658 WeakPolarHBondContact OE2-CB 3.45Å; E592-S658 PolarHBondContact OE2-OG 2.99Å; R648-S658 WeakPolarHBondContact CD-OG 3.27Å; R648-S658 PolarHBondContact NH1-OG 3.29Å; S658-H662 WeakPolarHBondContact O-CB 3.33Å; S658-H662 PolarHBondContact O-N 2.94Å; S658-C677 VanDerWaalsContact CB-SG 3.59Å
659	E	96	Very high	95.7	Very high	88 Å²	88	58.7 Å²	58.7	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-68.4	-42.6	175.3	-175.6	56.3	-152.2	0	0	112	T657 H662 Q663	T657-E659 PolarHBondContact O-N 3.42Å; E659-H662 WeakPolarHBondContact O-CB 3.42Å; E659-H662 PolarHBondContact O-N 2.91Å; E659-H662 IonicContact OE1-ND1 3.28Å; E659-H662 PolarHBondContact OE1-ND1 3.47Å; E659-H662 IonicContact OE2-ND1 2.89Å; E659-H662 PolarHBondContact OE2-ND1 3.08Å; E659-Q663 VanDerWaalsContact O-CG 3.3Å; E659-Q663 WeakPolarHBondContact O-CG 3.25Å; E659-Q663 PolarHBondContact O-N 3.25Å; E659-Q663 PolarHBondContact OE1-NE2 2.93Å
660	F	96.7	Very high	95	Very high	74 Å²	74	64.5 Å²	64.5	33%	0.325	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-48.9	175	175.2	-92.5	0	0	0	111.5	I623 L626 Y656 T657 H662 Q663 L664	I623-F660 HydrophobicContact CD1-CE1 4.28Å; I623-F660 HydrophobicContact CD1-CZ 4.25Å; L626-F660 HydrophobicContact CD1-CE1 4.12Å; Y656-F660 AromaticContact CD1-CD1 3.84Å; Y656-F660 HydrophobicContact CD1-CD1 3.84Å; Y656-F660 AromaticContact CD1-CE1 3.6Å; Y656-F660 HydrophobicContact CD1-CE1 3.6Å; Y656-F660 HydrophobicContact CD1-CZ 4.27Å; Y656-F660 HydrophobicContact CE1-CE1 4.15Å; Y656-F660 HydrophobicContact CE1-CZ 4.48Å; Y656-F660 HydrophobicContact CG-CD1 4.5Å; Y656-F660 HydrophobicContact CG-CE1 4.5Å; T657-F660 WeakPolarHBondContact O-CB 3.5Å; T657-F660 PolarHBondContact O-N 2.67Å; T657-F660 VanDerWaalsContact O-N 3.09Å; T657-F660 PolarHBondContact OG1-N 3.32Å; T657-F660 VanDerWaalsContact OG1-N 3.09Å; F660-H662 VanDerWaalsContact C-N 3.31Å; F660-H662 PolarHBondContact O-N 3.45Å; F660-Q663 PolarHBondContact O-N 3.01Å; F660-L664 HydrophobicContact CE1-CD2 4.19Å; F660-L664 WeakPolarHBondContact O-CB 3.48Å; F660-L664 PolarHBondContact O-N 3.2Å
661	I	97	Very high	94.4	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-43.6	179	-63.6	169.6	0	0	0	109.8	V590 Y615 L626 R648 T657 Q663 L664 Y665	V590-I661 HydrophobicContact CG1-CB 4.46Å; V590-I661 HydrophobicContact CG1-CG2 4.22Å; V590-I661 HydrophobicContact CG2-CG2 3.88Å; Y615-I661 HydrophobicContact CD2-CD1 3.79Å; Y615-I661 HydrophobicContact CE2-CD1 4.07Å; Y615-I661 HydrophobicContact CE2-CG2 4.41Å; L626-I661 HydrophobicContact CD1-CG1 4.37Å; L626-I661 HydrophobicContact CD2-CD1 4.41Å; L626-I661 HydrophobicContact CD2-CG1 4.33Å; R648-I661 HydrophobicContact CG-CD1 4.2Å; T657-I661 WeakPolarHBondContact O-CG1 3.46Å; T657-I661 PolarHBondContact O-N 3.2Å; I661-Q663 PolarHBondContact O-N 3.43Å; I661-L664 PolarHBondContact O-N 3.05Å; I661-Y665 HydrophobicContact CG2-CD1 3.79Å; I661-Y665 HydrophobicContact CG2-CE1 3.66Å; I661-Y665 HydrophobicContact CG2-CG 4.31Å; I661-Y665 VanDerWaalsContact O-CB 3.31Å; I661-Y665 WeakPolarHBondContact O-CB 3.2Å; I661-Y665 WeakPolarHBondContact O-CD1 3.42Å; I661-Y665 PolarHBondContact O-N 2.92Å
662	H	96	Very high	94	Very high	33 Å²	33	62.2 Å²	62.2	15%	0.153	31%	0.314	C	S	.	.	H	α-helix	trans	-55.9	-49.5	174	159.1	-127.7	0	0	0	112.2	S658 E659 F660 Y665 A666 C675 C677	S658-H662 WeakPolarHBondContact O-CB 3.33Å; S658-H662 PolarHBondContact O-N 2.94Å; E659-H662 WeakPolarHBondContact O-CB 3.42Å; E659-H662 PolarHBondContact O-N 2.91Å; E659-H662 IonicContact OE1-ND1 3.28Å; E659-H662 PolarHBondContact OE1-ND1 3.47Å; E659-H662 IonicContact OE2-ND1 2.89Å; E659-H662 PolarHBondContact OE2-ND1 3.08Å; F660-H662 VanDerWaalsContact C-N 3.31Å; F660-H662 PolarHBondContact O-N 3.45Å; H662-Y665 PolarHBondContact O-N 3.05Å; H662-A666 WeakPolarHBondContact O-CB 3.35Å; H662-A666 PolarHBondContact O-N 3.26Å; H662-C675 PolarHBondContact CD2-O 3.11Å; H662-C675 PolarHBondContact NE2-O 3.14Å; H662-C677 HydrophobicContact CB-CB 3.93Å
663	Q	96.3	Very high	93.7	Very high	110 Å²	110	62.6 Å²	62.6	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-43.8	-179.9	-71.8	176.4	6.2	0	0	112.1	E659 F660 I661 Y665 A666 Q667	E659-Q663 VanDerWaalsContact O-CG 3.3Å; E659-Q663 WeakPolarHBondContact O-CG 3.25Å; E659-Q663 PolarHBondContact O-N 3.25Å; E659-Q663 PolarHBondContact OE1-NE2 2.93Å; F660-Q663 PolarHBondContact O-N 3.01Å; I661-Q663 PolarHBondContact O-N 3.43Å; Q663-Y665 PolarHBondContact O-N 2.91Å; Q663-A666 PolarHBondContact O-N 3.47Å; Q663-Q667 WeakPolarHBondContact O-CB 3.31Å; Q663-Q667 PolarHBondContact O-N 3.48Å
664	L	95.9	Very high	93.5	Very high	37 Å²	37	63.1 Å²	63.1	19%	0.194	32%	0.317	C	S	.	.	H	α-helix	trans	-58	-50	175.2	176.5	65.3	0	0	0	110.7	I623 L626 F660 I661 A666 Q667 E668	I623-L664 HydrophobicContact CD1-CD2 3.81Å; L626-L664 HydrophobicContact CB-CD2 3.87Å; L626-L664 HydrophobicContact CD1-CD2 3.97Å; F660-L664 HydrophobicContact CE1-CD2 4.19Å; F660-L664 WeakPolarHBondContact O-CB 3.48Å; F660-L664 PolarHBondContact O-N 3.2Å; I661-L664 PolarHBondContact O-N 3.05Å; L664-A666 PolarHBondContact O-N 3.13Å; L664-Q667 PolarHBondContact O-N 3.22Å; L664-E668 HydrophobicContact CD1-CG 3.91Å; L664-E668 HydrophobicContact CG-CG 4.5Å; L664-E668 WeakPolarHBondContact O-CB 3.28Å; L664-E668 WeakPolarHBondContact O-CG 3.34Å; L664-E668 PolarHBondContact O-N 3.06Å
665	Y	95.8	Very high	93.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-70.3	-34.9	-176.3	-79.2	42.3	0	0	0	111.2	V588 Y615 L626 D629 V630 L633 V646 I661 H662 Q663 G669 F673	V588-Y665 HydrophobicContact CG1-CD2 4.26Å; Y615-Y665 PolarHBondContact OH-OH 3.19Å; L626-Y665 HydrophobicContact CB-CE1 4.41Å; L626-Y665 PolarHBondContact O-OH 2.91Å; D629-Y665 VanDerWaalsContact CB-OH 3.28Å; D629-Y665 WeakPolarHBondContact CB-OH 3.3Å; V630-Y665 HydrophobicContact CG2-CD1 3.32Å; V630-Y665 HydrophobicContact CG2-CD2 3.83Å; V630-Y665 HydrophobicContact CG2-CE1 3.22Å; V630-Y665 HydrophobicContact CG2-CE2 3.76Å; V630-Y665 HydrophobicContact CG2-CG 3.61Å; V630-Y665 VanDerWaalsContact CG2-CZ 3.44Å; L633-Y665 HydrophobicContact CD1-CD2 3.93Å; L633-Y665 HydrophobicContact CD1-CE2 3.58Å; V646-Y665 HydrophobicContact CG2-CE2 3.99Å; I661-Y665 HydrophobicContact CG2-CD1 3.79Å; I661-Y665 HydrophobicContact CG2-CE1 3.66Å; I661-Y665 HydrophobicContact CG2-CG 4.31Å; I661-Y665 VanDerWaalsContact O-CB 3.31Å; I661-Y665 WeakPolarHBondContact O-CB 3.2Å; I661-Y665 WeakPolarHBondContact O-CD1 3.42Å; I661-Y665 PolarHBondContact O-N 2.92Å; H662-Y665 PolarHBondContact O-N 3.05Å; Q663-Y665 PolarHBondContact O-N 2.91Å; Y665-G669 WeakPolarHBondContact O-CA 3.42Å; Y665-G669 PolarHBondContact O-N 3.15Å; Y665-F673 VanDerWaalsContact O-CE2 3.28Å; Y665-F673 WeakPolarHBondContact O-CE2 3.35Å
666	A	93.9	Very high	93.3	Very high	31 Å²	31	52 Å²	52	26%	0.256	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-42.1	173.7	0	0	0	0	0	111.6	H662 Q663 L664 Q670 C675	H662-A666 WeakPolarHBondContact O-CB 3.35Å; H662-A666 PolarHBondContact O-N 3.26Å; Q663-A666 PolarHBondContact O-N 3.47Å; L664-A666 PolarHBondContact O-N 3.13Å; A666-Q670 WeakPolarHBondContact O-CG 3.28Å; A666-C675 HydrophobicContact CB-CB 3.95Å
667	Q	95.2	Very high	93.3	Very high	111 Å²	111	51 Å²	51	52%	0.519	27%	0.271	S	S	.	.	H	α-helix	trans	-71.2	-49.8	180	-178.5	57.4	30.3	0	0	111.6	Q663 L664 G669 Q670	Q663-Q667 WeakPolarHBondContact O-CB 3.31Å; Q663-Q667 PolarHBondContact O-N 3.48Å; L664-Q667 PolarHBondContact O-N 3.22Å; Q667-G669 VanDerWaalsContact C-N 3.29Å; Q667-G669 PolarHBondContact O-N 3.41Å; Q667-Q670 WeakPolarHBondContact O-CB 3.48Å; Q667-Q670 WeakPolarHBondContact O-CG 3.36Å; Q667-Q670 PolarHBondContact O-N 3.43Å
668	E	92.9	Very high	93.2	Very high	90 Å²	90	51.1 Å²	51.1	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-73.9	-21.2	-179.1	-66.8	-59.1	141.4	0	0	112.6	V630 R634 L664 Q670	V630-E668 HydrophobicContact CG1-CB 3.64Å; R634-E668 WeakPolarHBondContact CD-O 3.33Å; R634-E668 PolarHBondContact NH1-O 3.22Å; L664-E668 HydrophobicContact CD1-CG 3.91Å; L664-E668 HydrophobicContact CG-CG 4.5Å; L664-E668 WeakPolarHBondContact O-CB 3.28Å; L664-E668 WeakPolarHBondContact O-CG 3.34Å; L664-E668 PolarHBondContact O-N 3.06Å; E668-Q670 VanDerWaalsContact C-N 3.34Å
669	G	89.7	Confident	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.5	175.3	0	0	0	0	0	114.7	Y665 Q667 G671 I672 F673	Y665-G669 WeakPolarHBondContact O-CA 3.42Å; Y665-G669 PolarHBondContact O-N 3.15Å; Q667-G669 VanDerWaalsContact C-N 3.29Å; Q667-G669 PolarHBondContact O-N 3.41Å; G669-G671 PolarHBondContact O-N 3.46Å; G669-I672 WeakPolarHBondContact O-CA 3.36Å; G669-I672 PolarHBondContact O-N 2.86Å; G669-F673 CarbonylContact C-O 3.56Å; G669-F673 PolarHBondContact O-N 2.92Å
670	Q	82.9	Confident	93.3	Very high	123 Å²	123	51.4 Å²	51.4	58%	0.575	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	131.4	-172.1	-80	-173.7	3.2	0	0	112.9	A666 Q667 E668 I672	A666-Q670 WeakPolarHBondContact O-CG 3.28Å; Q667-Q670 WeakPolarHBondContact O-CB 3.48Å; Q667-Q670 WeakPolarHBondContact O-CG 3.36Å; Q667-Q670 PolarHBondContact O-N 3.43Å; E668-Q670 VanDerWaalsContact C-N 3.34Å; Q670-I672 PolarHBondContact O-N 3.03Å
671	G	84.7	Confident	93.2	Very high	81 Å²	81	48.9 Å²	48.9	84%	0.835	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-16.6	-176.5	0	0	0	0	0	114.9	G669	G669-G671 PolarHBondContact O-N 3.46Å
672	I	88.6	Confident	93.2	Very high	31 Å²	31	55.4 Å²	55.4	16%	0.159	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-51.3	-179.6	-54.8	-177.9	0	0	0	111.1	R586 R634 I637 G669 Q670	R586-I672 VanDerWaalsContact CB-O 3.29Å; R586-I672 WeakPolarHBondContact CB-O 3.41Å; R586-I672 WeakPolarHBondContact CD-O 3.42Å; R634-I672 HydrophobicContact CB-CD1 4.03Å; R634-I672 HydrophobicContact CG-CD1 4.07Å; I637-I672 HydrophobicContact CB-CG2 4.27Å; I637-I672 HydrophobicContact CG2-CG2 4Å; G669-I672 WeakPolarHBondContact O-CA 3.36Å; G669-I672 PolarHBondContact O-N 2.86Å; Q670-I672 PolarHBondContact O-N 3.03Å
673	F	90.8	Very high	93.1	Very high	14 Å²	14	59.3 Å²	59.3	6%	0.061	32%	0.321	C	S	.	.			trans	-146.2	158.3	179.6	63.8	-104.3	0	0	0	113.4	R586 V588 V630 L633 R634 I637 Y665 G669	R586-F673 HydrophobicContact CB-CB 4.32Å; R586-F673 WeakPolarHBondContact O-CA 3.33Å; V588-F673 HydrophobicContact CB-CD2 3.96Å; V588-F673 HydrophobicContact CB-CE2 4.02Å; V588-F673 HydrophobicContact CG2-CB 4.35Å; V588-F673 HydrophobicContact CG2-CD1 4.14Å; V588-F673 HydrophobicContact CG2-CD2 3.37Å; V588-F673 HydrophobicContact CG2-CE1 4.23Å; V588-F673 HydrophobicContact CG2-CE2 3.53Å; V588-F673 HydrophobicContact CG2-CG 3.71Å; V588-F673 HydrophobicContact CG2-CZ 3.97Å; V630-F673 HydrophobicContact CG1-CZ 4.4Å; L633-F673 HydrophobicContact CB-CE1 4.17Å; L633-F673 HydrophobicContact CB-CZ 4.46Å; R634-F673 HydrophobicContact CG-CD1 4.42Å; R634-F673 HydrophobicContact CG-CE1 3.68Å; I637-F673 HydrophobicContact CD1-CB 3.74Å; I637-F673 HydrophobicContact CD1-CD1 3.57Å; I637-F673 HydrophobicContact CD1-CE1 4.33Å; I637-F673 HydrophobicContact CD1-CG 3.79Å; I637-F673 HydrophobicContact CG2-CB 4.32Å; Y665-F673 VanDerWaalsContact O-CE2 3.28Å; Y665-F673 WeakPolarHBondContact O-CE2 3.35Å; G669-F673 CarbonylContact C-O 3.56Å; G669-F673 PolarHBondContact O-N 2.92Å
674	D	91	Very high	93.1	Very high	51 Å²	51	54.2 Å²	54.2	27%	0.273	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	148.8	168.9	-179.1	27.4	0	0	0	110.1	R586 R587 V588 R676	R586-D674 PolarHBondContact O-N 2.94Å; R586-D674 VanDerWaalsContact O-N 3.13Å; R587-D674 CarbonylContact C-O 3.6Å; R587-D674 WeakPolarHBondContact CA-O 3.46Å; R587-D674 IonicContact CZ-OD2 3.84Å; R587-D674 IonicContact NE-OD2 3.14Å; R587-D674 PolarHBondContact NE-OD2 3.04Å; R587-D674 IonicContact NH2-OD2 2.7Å; R587-D674 PolarHBondContact NH2-OD2 2.71Å; V588-D674 PolarHBondContact N-O 3.27Å; D674-R676 IonicContact OD1-CZ 3.47Å; D674-R676 IonicContact OD1-NH1 3.65Å; D674-R676 IonicContact OD1-NH2 3.28Å; D674-R676 PolarHBondContact OD1-NH2 3.44Å; D674-R676 IonicContact OD2-CZ 3.24Å; D674-R676 VanDerWaalsContact OD2-CZ 3.24Å; D674-R676 IonicContact OD2-NE 3.39Å; D674-R676 PolarHBondContact OD2-NE 2.95Å; D674-R676 IonicContact OD2-NH2 2.74Å; D674-R676 PolarHBondContact OD2-NH2 3.03Å
675	C	93.6	Very high	93.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	143.7	177.5	-165.1	0	0	0	0	111	V588 H662 A666	V588-C675 CarbonylContact O-C 3.55Å; V588-C675 WeakPolarHBondContact O-CA 3.44Å; H662-C675 PolarHBondContact CD2-O 3.11Å; H662-C675 PolarHBondContact NE2-O 3.14Å; A666-C675 HydrophobicContact CB-CB 3.95Å
676	R	93.9	Very high	93.1	Very high	103 Å²	103	55.4 Å²	55.4	39%	0.389	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.1	176.1	-66.1	-66	169.3	-129.7	-4.5	110.8	R587 V588 F589 V590 D674	R587-R676 HydrophobicContact CG-CG 4.43Å; V588-R676 PolarHBondContact O-N 3.18Å; F589-R676 CarbonylContact C-O 3.56Å; F589-R676 WeakPolarHBondContact CA-O 3.38Å; F589-R676 HydrophobicContact CD1-CB 3.66Å; F589-R676 HydrophobicContact CE1-CB 3.57Å; F589-R676 HydrophobicContact CE1-CG 4.14Å; F589-R676 HydrophobicContact CG-CB 4.46Å; F589-R676 HydrophobicContact CZ-CB 4.31Å; F589-R676 HydrophobicContact CZ-CG 4.46Å; V590-R676 PolarHBondContact N-O 3.11Å; D674-R676 IonicContact OD1-CZ 3.47Å; D674-R676 IonicContact OD1-NH1 3.65Å; D674-R676 IonicContact OD1-NH2 3.28Å; D674-R676 PolarHBondContact OD1-NH2 3.44Å; D674-R676 IonicContact OD2-CZ 3.24Å; D674-R676 VanDerWaalsContact OD2-CZ 3.24Å; D674-R676 IonicContact OD2-NE 3.39Å; D674-R676 PolarHBondContact OD2-NE 2.95Å; D674-R676 IonicContact OD2-NH2 2.74Å; D674-R676 PolarHBondContact OD2-NH2 3.03Å
677	C	94.9	Very high	93	Very high	38 Å²	38	59.6 Å²	59.6	26%	0.257	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.7	175.5	-172.6	0	0	0	0	110.9	V590 S658 H662	V590-C677 CarbonylContact O-C 3.51Å; V590-C677 WeakPolarHBondContact O-CA 3.47Å; S658-C677 VanDerWaalsContact CB-SG 3.59Å; H662-C677 HydrophobicContact CB-CB 3.93Å
678	N	95.5	Very high	93	Very high	56 Å²	56	59.7 Å²	59.7	30%	0.299	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	113.9	176.2	-82.4	68	0	0	0	110.1	I577 F589 V590 V591 E592	I577-N678 HydrophobicContact CD1-CB 4.15Å; F589-N678 WeakPolarHBondContact CD1-OD1 3.4Å; F589-N678 WeakPolarHBondContact CE1-OD1 3.4Å; V590-N678 PolarHBondContact O-N 3.01Å; V591-N678 CarbonylContact C-O 3.59Å; V591-N678 WeakPolarHBondContact CA-O 3.42Å; V591-N678 HydrophobicContact CG2-CB 4.43Å; E592-N678 PolarHBondContact N-O 3.43Å
679	V	96.7	Very high	93.2	Very high	89 Å²	89	55.6 Å²	55.6	54%	0.539	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.1	171	-178	0	0	0	0	108.5	E592	E592-V679 HydrophobicContact CB-CB 4.43Å; E592-V679 HydrophobicContact CB-CG1 4.37Å; E592-V679 HydrophobicContact CB-CG2 4.11Å
680	L	96.7	Very high	93.6	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.042	31%	0.305	C	S	.	.			trans	-70.4	-35.5	-175.1	-60.6	-173.5	0	0	0	112.5	I570 V573 V591 E592 T593 M683 Q684	I570-L680 HydrophobicContact CB-CD1 4.23Å; I570-L680 HydrophobicContact CG1-CD1 3.93Å; I570-L680 HydrophobicContact CG2-CD1 3.78Å; V573-L680 HydrophobicContact CB-CD2 4.23Å; V573-L680 HydrophobicContact CG1-CD2 3.47Å; V573-L680 VanDerWaalsContact CG1-CD2 3.47Å; V591-L680 HydrophobicContact CG1-CD1 3.77Å; V591-L680 HydrophobicContact CG1-CD2 3.85Å; V591-L680 HydrophobicContact CG1-CG 3.67Å; E592-L680 WeakPolarHBondContact O-CG 3.49Å; E592-L680 PolarHBondContact O-N 2.91Å; T593-L680 HydrophobicContact CG2-CD1 4.45Å; L680-M683 VanDerWaalsContact O-CE 3.24Å; L680-M683 WeakPolarHBondContact O-CE 3.23Å; L680-Q684 HydrophobicContact CB-CG 3.84Å; L680-Q684 HydrophobicContact CD1-CG 4.24Å
681	G	95.6	Very high	94.3	Very high	21 Å²	21	50.2 Å²	50.2	22%	0.216	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	56.5	-143.6	179.6	0	0	0	0	0	112.9	M683 Q684	G681-M683 PolarHBondContact O-N 3.31Å; G681-M683 VanDerWaalsContact O-N 3.14Å; G681-Q684 WeakPolarHBondContact O-CG 3.38Å; G681-Q684 PolarHBondContact O-N 3.05Å; G681-Q684 PolarHBondContact O-NE2 3.12Å
682	H	95.8	Very high	94.8	Very high	136 Å²	136	49.4 Å²	49.4	63%	0.63	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-69.5	-10.6	-169	-68.3	81.5	0	0	0	115.2	Q684 Q685	H682-Q684 PolarHBondContact O-N 3.41Å; H682-Q684 VanDerWaalsContact O-N 3.08Å; H682-Q685 PolarHBondContact O-N 2.95Å
683	M	94.3	Very high	95.3	Very high	116 Å²	116	47.9 Å²	47.9	57%	0.571	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-57.2	-25.2	172.8	-65.2	-173.6	-68.2	0	0	112	L680 G681 Q685 G686	L680-M683 VanDerWaalsContact O-CE 3.24Å; L680-M683 WeakPolarHBondContact O-CE 3.23Å; G681-M683 PolarHBondContact O-N 3.31Å; G681-M683 VanDerWaalsContact O-N 3.14Å; M683-Q685 PolarHBondContact O-N 3.03Å; M683-G686 PolarHBondContact O-N 2.94Å
684	Q	97.4	Very high	95.6	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.014	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-65.1	-15.6	176.9	-62.7	173.8	88.3	0	0	113.7	I550 A566 I570 M594 L680 G681 H682 G686	I550-Q684 HydrophobicContact CD1-CB 4.17Å; A566-Q684 WeakPolarHBondContact CA-O 3.4Å; A566-Q684 WeakPolarHBondContact CB-O 3.31Å; I570-Q684 HydrophobicContact CD1-CG 4.19Å; I570-Q684 HydrophobicContact CG1-CB 4.42Å; I570-Q684 HydrophobicContact CG1-CG 3.71Å; M594-Q684 VanDerWaalsContact N-NE2 3.14Å; L680-Q684 HydrophobicContact CB-CG 3.84Å; L680-Q684 HydrophobicContact CD1-CG 4.24Å; G681-Q684 WeakPolarHBondContact O-CG 3.38Å; G681-Q684 PolarHBondContact O-N 3.05Å; G681-Q684 PolarHBondContact O-NE2 3.12Å; H682-Q684 PolarHBondContact O-N 3.41Å; H682-Q684 VanDerWaalsContact O-N 3.08Å; Q684-G686 PolarHBondContact O-N 2.91Å
685	Q	96.2	Very high	95.8	Very high	39 Å²	39	45.3 Å²	45.3	18%	0.182	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-74.1	-17.6	175.6	-69.6	178.1	-12.9	0	0	113.1	C433 I550 H682 M683	C433-Q685 PolarHBondContact SG-O 2.82Å; I550-Q685 HydrophobicContact CD1-CG 4.29Å; I550-Q685 HydrophobicContact CG2-CG 4.45Å; H682-Q685 PolarHBondContact O-N 2.95Å; M683-Q685 PolarHBondContact O-N 3.03Å
686	G	94.2	Very high	95.8	Very high	22 Å²	22	45.5 Å²	45.5	23%	0.227	23%	0.232	C	C	.	.			trans	74.7	159.5	-177.4	0	0	0	0	0	114.1	M683 Q684	M683-G686 PolarHBondContact O-N 2.94Å; Q684-G686 PolarHBondContact O-N 2.91Å
687	D	92.2	Very high	95.9	Very high	120 Å²	120	40.6 Å²	40.6	64%	0.642	21%	0.214	S	C	*	.	S	Bend	trans	-92.1	-58.7	171.8	172.3	33.4	0	0	0	110.1	G483	G483-D687 WeakPolarHBondContact CA-O 3.43Å; G483-D687 PolarHBondContact N-O 3.42Å
688	R	94.6	Very high	95.9	Very high	113 Å²	113	38.9 Å²	38.9	43%	0.426	20%	0.202	S	C	.	.	S	Bend	trans	-110.9	135.4	179.8	-64.8	-174.3	-173.5	177	-0.1	110.8	D204	D204-R688 IonicContact OD2-NH1 2.76Å
689	P	97.3	Very high	95.8	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.019	20%	0.2	C	C	.	.			trans	-63.1	142.1	178.9	23.3	-29.8	0	0	0	111.2	C433 V480 G481 T565 D693 R694	C433-P689 HydrophobicContact CB-CB 3.73Å; V480-P689 WeakPolarHBondContact O-CG 3.41Å; G481-P689 WeakPolarHBondContact O-CD 3.33Å; T565-P689 WeakPolarHBondContact OG1-CA 3.32Å; P689-D693 HydrophobicContact CB-CB 4.29Å; P689-R694 HydrophobicContact CB-CG 3.77Å; P689-R694 HydrophobicContact CG-CG 3.62Å; P689-R694 PolarHBondContact O-NE 2.75Å; P689-R694 PolarHBondContact O-NH2 3.25Å
690	S	98	Very high	95.7	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.049	17%	0.174	C	C	.	.			trans	-61.9	159.7	172.1	70.6	0	0	0	0	111.8	D564 T565 F692 D693 R694	D564-S690 WeakPolarHBondContact OD2-CB 3.34Å; D564-S690 PolarHBondContact OD2-OG 3.43Å; T565-S690 PolarHBondContact OG1-N 3.06Å; S690-F692 PolarHBondContact O-N 2.85Å; S690-D693 PolarHBondContact O-N 3.13Å; S690-D693 PolarHBondContact OG-N 2.97Å; S690-D693 VanDerWaalsContact OG-N 3.14Å; S690-R694 VanDerWaalsContact O-CG 3.3Å; S690-R694 WeakPolarHBondContact O-CG 3.46Å; S690-R694 PolarHBondContact O-N 3.31Å
691	P	97.5	Very high	95.7	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.019	17%	0.172	C	C	.	.	H	α-helix	trans	-53.9	-38.2	174	-21.1	30.9	0	0	0	112.6	L196 H197 I200 S695	L196-P691 HydrophobicContact CB-CB 3.94Å; L196-P691 HydrophobicContact CB-CG 4.09Å; H197-P691 HydrophobicContact CB-CG 4.33Å; H197-P691 VanDerWaalsContact CE1-CD 3.47Å; H197-P691 WeakPolarHBondContact CE1-CD 3.45Å; H197-P691 WeakPolarHBondContact NE2-CD 3.42Å; I200-P691 HydrophobicContact CB-CG 4.18Å; I200-P691 HydrophobicContact CG1-CB 4.01Å; I200-P691 HydrophobicContact CG1-CG 3.87Å; P691-S695 VanDerWaalsContact O-CB 3.24Å; P691-S695 WeakPolarHBondContact O-CB 3.4Å; P691-S695 PolarHBondContact O-N 2.61Å
692	F	96.6	Very high	95.6	Very high	64 Å²	64	33.6 Å²	33.6	28%	0.281	16%	0.164	S	C	.	.	H	α-helix	trans	-61.4	-54.2	175.4	-177.9	-97.6	0	0	0	111.7	F559 D564 S690 R694 S695 L696	F559-F692 HydrophobicContact CB-CE1 4.34Å; F559-F692 HydrophobicContact CB-CZ 4.37Å; F559-F692 HydrophobicContact CD2-CZ 4.49Å; F559-F692 HydrophobicContact CG-CE1 4.48Å; F559-F692 HydrophobicContact CG-CZ 4.24Å; D564-F692 HydrophobicContact CB-CB 4.29Å; D564-F692 HydrophobicContact CB-CD1 3.63Å; D564-F692 HydrophobicContact CB-CE1 4.38Å; D564-F692 HydrophobicContact CB-CG 4.28Å; S690-F692 PolarHBondContact O-N 2.85Å; F692-R694 VanDerWaalsContact C-N 3.3Å; F692-R694 PolarHBondContact O-N 2.78Å; F692-S695 PolarHBondContact O-N 3.41Å; F692-L696 HydrophobicContact CD1-CD2 4.45Å; F692-L696 HydrophobicContact CE1-CB 4.47Å; F692-L696 HydrophobicContact CE1-CD2 3.63Å; F692-L696 HydrophobicContact CZ-CD2 3.91Å; F692-L696 WeakPolarHBondContact O-CB 3.35Å; F692-L696 PolarHBondContact O-N 3.49Å
693	D	97.8	Very high	95.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-34	-178.6	-78.1	-39.5	0	0	0	112.5	G562 T565 P689 S690 G697	G562-D693 WeakPolarHBondContact CA-OD2 3.38Å; G562-D693 PolarHBondContact N-OD1 2.83Å; G562-D693 PolarHBondContact N-OD2 2.95Å; T565-D693 VanDerWaalsContact CB-OD2 3.29Å; T565-D693 WeakPolarHBondContact CB-OD2 3.49Å; T565-D693 PolarHBondContact N-OD2 3.46Å; T565-D693 PolarHBondContact OG1-OD2 3.31Å; P689-D693 HydrophobicContact CB-CB 4.29Å; S690-D693 PolarHBondContact O-N 3.13Å; S690-D693 PolarHBondContact OG-N 2.97Å; S690-D693 VanDerWaalsContact OG-N 3.14Å; D693-G697 PolarHBondContact O-N 3.01Å
694	R	97.1	Very high	95.6	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-48.8	173.1	-66.1	-174.1	-158.5	-159.3	0.7	112.1	D204 A236 V480 P689 S690 F692 T698	D204-R694 IonicContact OD1-CZ 2.99Å; D204-R694 IonicContact OD1-NH1 2.73Å; D204-R694 PolarHBondContact OD1-NH1 3.48Å; D204-R694 IonicContact OD1-NH2 2.91Å; D204-R694 IonicContact OD2-CZ 3.03Å; D204-R694 IonicContact OD2-NH1 3.52Å; D204-R694 PolarHBondContact OD2-NH1 3.2Å; D204-R694 IonicContact OD2-NH2 2.9Å; D204-R694 PolarHBondContact OD2-NH2 2.88Å; A236-R694 HydrophobicContact CB-CB 3.88Å; A236-R694 WeakPolarHBondContact O-CD 3.33Å; V480-R694 HydrophobicContact CG1-CB 3.89Å; V480-R694 HydrophobicContact CG1-CG 4.01Å; V480-R694 WeakPolarHBondContact O-CG 3.49Å; P689-R694 HydrophobicContact CB-CG 3.77Å; P689-R694 HydrophobicContact CG-CG 3.62Å; P689-R694 PolarHBondContact O-NE 2.75Å; P689-R694 PolarHBondContact O-NH2 3.25Å; S690-R694 VanDerWaalsContact O-CG 3.3Å; S690-R694 WeakPolarHBondContact O-CG 3.46Å; S690-R694 PolarHBondContact O-N 3.31Å; F692-R694 VanDerWaalsContact C-N 3.3Å; F692-R694 PolarHBondContact O-N 2.78Å; R694-T698 WeakPolarHBondContact O-CB 3.4Å; R694-T698 PolarHBondContact O-N 3.31Å; R694-T698 VanDerWaalsContact O-N 3.07Å; R694-T698 PolarHBondContact O-OG1 3.41Å
695	S	94.9	Very high	95.5	Very high	6 Å²	6	25 Å²	25	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-67.4	-44.2	-178.7	-175.5	0	0	0	0	111.3	P691 F692 T698 K699	P691-S695 VanDerWaalsContact O-CB 3.24Å; P691-S695 WeakPolarHBondContact O-CB 3.4Å; P691-S695 PolarHBondContact O-N 2.61Å; F692-S695 PolarHBondContact O-N 3.41Å; S695-T698 PolarHBondContact O-N 3.01Å; S695-K699 VanDerWaalsContact O-CG 3.3Å; S695-K699 WeakPolarHBondContact O-CG 3.37Å; S695-K699 PolarHBondContact O-N 2.68Å
696	L	94.9	Very high	95.4	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-47.1	177.4	-176.6	58.1	0	0	0	111	F559 L561 F692 T698 K699 F700 I735	F559-L696 HydrophobicContact CB-CD2 4.47Å; L561-L696 HydrophobicContact CD2-CB 3.83Å; L561-L696 HydrophobicContact CD2-CD2 3.87Å; L561-L696 HydrophobicContact CD2-CG 3.7Å; F692-L696 HydrophobicContact CD1-CD2 4.45Å; F692-L696 HydrophobicContact CE1-CB 4.47Å; F692-L696 HydrophobicContact CE1-CD2 3.63Å; F692-L696 HydrophobicContact CZ-CD2 3.91Å; F692-L696 WeakPolarHBondContact O-CB 3.35Å; F692-L696 PolarHBondContact O-N 3.49Å; L696-T698 VanDerWaalsContact C-N 3.29Å; L696-T698 PolarHBondContact O-N 3.39Å; L696-K699 PolarHBondContact O-N 3.16Å; L696-K699 VanDerWaalsContact O-N 3.13Å; L696-F700 HydrophobicContact CD1-CD1 4.13Å; L696-F700 HydrophobicContact CD1-CD2 4.03Å; L696-F700 HydrophobicContact CD1-CE1 3.77Å; L696-F700 HydrophobicContact CD1-CE2 3.65Å; L696-F700 HydrophobicContact CD1-CG 4.28Å; L696-F700 HydrophobicContact CD1-CZ 3.53Å; L696-F700 HydrophobicContact CD2-CE2 3.88Å; L696-F700 HydrophobicContact CD2-CZ 4.28Å; L696-F700 HydrophobicContact CG-CD2 3.88Å; L696-F700 HydrophobicContact CG-CE2 3.62Å; L696-F700 HydrophobicContact CG-CG 4.5Å; L696-F700 HydrophobicContact CG-CZ 4.04Å; L696-F700 PolarHBondContact O-N 3.08Å; L696-I735 HydrophobicContact CD1-CD1 3.27Å; L696-I735 HydrophobicContact CD1-CG1 4.23Å
697	G	95.9	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-43.3	177.4	0	0	0	0	0	111.8	V438 D693 K699 F700 A701	V438-G697 WeakPolarHBondContact CG2-O 3.27Å; D693-G697 PolarHBondContact O-N 3.01Å; G697-K699 PolarHBondContact O-N 2.97Å; G697-F700 PolarHBondContact O-N 3.38Å; G697-A701 WeakPolarHBondContact O-CB 3.29Å; G697-A701 PolarHBondContact O-N 3.22Å
698	T	94	Very high	95.8	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-41.1	175.9	-62.5	0	0	0	0	112.8	L404 R694 S695 L696 A701 S702	L404-T698 HydrophobicContact CD1-CG2 3.28Å; R694-T698 WeakPolarHBondContact O-CB 3.4Å; R694-T698 PolarHBondContact O-N 3.31Å; R694-T698 VanDerWaalsContact O-N 3.07Å; R694-T698 PolarHBondContact O-OG1 3.41Å; S695-T698 PolarHBondContact O-N 3.01Å; L696-T698 VanDerWaalsContact C-N 3.29Å; L696-T698 PolarHBondContact O-N 3.39Å; T698-A701 WeakPolarHBondContact O-CB 3.28Å; T698-S702 PolarHBondContact O-N 2.89Å
699	K	93.3	Very high	95.8	Very high	57 Å²	57	16 Å²	16	25%	0.248	8%	0.076	C	C	.	.	H	α-helix	trans	-66.6	-48	176.4	-72.5	168.5	-176	179	0	111.6	M235 N397 T400 S695 L696 G697 A701 S702 K703	M235-K699 HydrophobicContact CE-CD 4.42Å; M235-K699 HydrophobicContact CE-CG 3.89Å; N397-K699 WeakPolarHBondContact OD1-CE 3.39Å; N397-K699 PolarHBondContact OD1-NZ 3.33Å; T400-K699 HydrophobicContact CG2-CG 4.2Å; S695-K699 VanDerWaalsContact O-CG 3.3Å; S695-K699 WeakPolarHBondContact O-CG 3.37Å; S695-K699 PolarHBondContact O-N 2.68Å; L696-K699 PolarHBondContact O-N 3.16Å; L696-K699 VanDerWaalsContact O-N 3.13Å; G697-K699 PolarHBondContact O-N 2.97Å; K699-A701 VanDerWaalsContact C-N 3.27Å; K699-A701 PolarHBondContact O-N 3.49Å; K699-S702 WeakPolarHBondContact O-CB 3.4Å; K699-S702 PolarHBondContact O-N 3.32Å; K699-S702 VanDerWaalsContact O-N 3.12Å; K699-K703 WeakPolarHBondContact O-CG 3.37Å; K699-K703 PolarHBondContact O-N 3.04Å
700	F	95.9	Very high	95.7	Very high	1 Å²	1	22 Å²	22	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-60.6	-38.5	177.4	-75.4	-19.3	0	0	0	112.1	V546 L561 L696 G697 S702 K703 A704 I733 I735	V546-F700 HydrophobicContact CG1-CB 4Å; V546-F700 HydrophobicContact CG1-CD2 3.6Å; V546-F700 HydrophobicContact CG1-CE2 4.4Å; V546-F700 HydrophobicContact CG1-CG 4.18Å; V546-F700 HydrophobicContact CG2-CB 4.13Å; L561-F700 HydrophobicContact CD1-CD2 4.33Å; L561-F700 HydrophobicContact CD2-CD2 4.42Å; L561-F700 HydrophobicContact CG-CD2 4.28Å; L696-F700 HydrophobicContact CD1-CD1 4.13Å; L696-F700 HydrophobicContact CD1-CD2 4.03Å; L696-F700 HydrophobicContact CD1-CE1 3.77Å; L696-F700 HydrophobicContact CD1-CE2 3.65Å; L696-F700 HydrophobicContact CD1-CG 4.28Å; L696-F700 HydrophobicContact CD1-CZ 3.53Å; L696-F700 HydrophobicContact CD2-CE2 3.88Å; L696-F700 HydrophobicContact CD2-CZ 4.28Å; L696-F700 HydrophobicContact CG-CD2 3.88Å; L696-F700 HydrophobicContact CG-CE2 3.62Å; L696-F700 HydrophobicContact CG-CG 4.5Å; L696-F700 HydrophobicContact CG-CZ 4.04Å; L696-F700 PolarHBondContact O-N 3.08Å; G697-F700 PolarHBondContact O-N 3.38Å; F700-S702 VanDerWaalsContact C-N 3.31Å; F700-S702 PolarHBondContact O-N 2.85Å; F700-K703 PolarHBondContact O-N 2.85Å; F700-A704 WeakPolarHBondContact O-CB 3.39Å; F700-A704 PolarHBondContact O-N 3.04Å; F700-I733 HydrophobicContact CD1-CG2 3.78Å; F700-I733 HydrophobicContact CE1-CG2 4.1Å; F700-I733 HydrophobicContact CG-CG2 4.44Å; F700-I735 HydrophobicContact CE1-CD1 4.15Å; F700-I735 HydrophobicContact CE1-CG1 3.72Å; F700-I735 HydrophobicContact CZ-CD1 4.24Å; F700-I735 HydrophobicContact CZ-CG1 3.84Å
701	A	95.4	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-55.6	-48	172.8	0	0	0	0	0	112.4	V438 F442 G697 T698 K699 K703 A704 I705	V438-A701 HydrophobicContact CG1-CB 4.31Å; V438-A701 VanDerWaalsContact O-CB 3.3Å; V438-A701 WeakPolarHBondContact O-CB 3.44Å; F442-A701 HydrophobicContact CB-CB 4.21Å; G697-A701 WeakPolarHBondContact O-CB 3.29Å; G697-A701 PolarHBondContact O-N 3.22Å; T698-A701 WeakPolarHBondContact O-CB 3.28Å; K699-A701 VanDerWaalsContact C-N 3.27Å; K699-A701 PolarHBondContact O-N 3.49Å; A701-K703 VanDerWaalsContact C-N 3.35Å; A701-K703 PolarHBondContact O-N 2.73Å; A701-A704 PolarHBondContact O-N 3.36Å; A701-I705 WeakPolarHBondContact O-CG2 3.26Å; A701-I705 PolarHBondContact O-N 2.86Å; A701-I705 VanDerWaalsContact O-N 3.13Å
702	S	93.3	Very high	95.4	Very high	5 Å²	5	23.4 Å²	23.4	4%	0.035	11%	0.109	C	C	.	.	H	α-helix	trans	-64.7	-38.3	-179.6	-178.4	0	0	0	0	112.8	K403 T698 K699 F700 I705 D706	K403-S702 WeakPolarHBondContact CD-OG 3.49Å; K403-S702 PolarHBondContact NZ-O 3.21Å; K403-S702 PolarHBondContact NZ-OG 3.4Å; T698-S702 PolarHBondContact O-N 2.89Å; K699-S702 WeakPolarHBondContact O-CB 3.4Å; K699-S702 PolarHBondContact O-N 3.32Å; K699-S702 VanDerWaalsContact O-N 3.12Å; F700-S702 VanDerWaalsContact C-N 3.31Å; F700-S702 PolarHBondContact O-N 2.85Å; S702-I705 WeakPolarHBondContact O-CG2 3.32Å; S702-D706 VanDerWaalsContact O-CG 3.3Å; S702-D706 PolarHBondContact O-N 2.78Å
703	K	94.7	Very high	95.2	Very high	75 Å²	75	24.5 Å²	24.5	33%	0.326	12%	0.118	S	C	.	.	H	α-helix	trans	-73.1	-41.4	177.3	-65.1	-67.2	179.5	-175.9	0	111.9	K699 F700 A701 D706 W707 I733 T740 Y742	K699-K703 WeakPolarHBondContact O-CG 3.37Å; K699-K703 PolarHBondContact O-N 3.04Å; F700-K703 PolarHBondContact O-N 2.85Å; A701-K703 VanDerWaalsContact C-N 3.35Å; A701-K703 PolarHBondContact O-N 2.73Å; K703-D706 PolarHBondContact O-N 3.38Å; K703-W707 WeakPolarHBondContact O-CB 3.5Å; K703-W707 PolarHBondContact O-N 3.29Å; K703-I733 HydrophobicContact CB-CG2 4.26Å; K703-T740 HydrophobicContact CG-CG2 4.26Å; K703-Y742 WeakPolarHBondContact CD-OH 3.31Å
704	A	96.9	Very high	95	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-46.3	179.7	0	0	0	0	0	112.4	F442 L515 V546 F700 A701 L708 I733	F442-A704 HydrophobicContact CD2-CB 3.93Å; F442-A704 HydrophobicContact CE2-CB 3.96Å; L515-A704 HydrophobicContact CD1-CB 3.9Å; V546-A704 HydrophobicContact CG2-CB 4.48Å; F700-A704 WeakPolarHBondContact O-CB 3.39Å; F700-A704 PolarHBondContact O-N 3.04Å; A701-A704 PolarHBondContact O-N 3.36Å; A704-L708 WeakPolarHBondContact O-CB 3.48Å; A704-L708 WeakPolarHBondContact O-CG 3.4Å; A704-L708 PolarHBondContact O-N 3.26Å; A704-I733 HydrophobicContact CB-CD1 3.46Å; A704-I733 VanDerWaalsContact CB-CD1 3.46Å
705	I	95.7	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-71.6	-35.6	180	-170.2	62.6	0	0	0	112.4	I423 F442 L445 K449 Y451 A701 S702 D709	I423-I705 HydrophobicContact CD1-CD1 3.85Å; F442-I705 HydrophobicContact CD2-CB 3.72Å; F442-I705 HydrophobicContact CD2-CD1 4.4Å; F442-I705 HydrophobicContact CE1-CD1 3.99Å; F442-I705 HydrophobicContact CE2-CB 3.65Å; F442-I705 HydrophobicContact CE2-CD1 3.8Å; F442-I705 HydrophobicContact CE2-CG1 4.3Å; F442-I705 HydrophobicContact CG-CB 4.47Å; F442-I705 HydrophobicContact CZ-CB 4.34Å; F442-I705 HydrophobicContact CZ-CD1 3.57Å; L445-I705 HydrophobicContact CB-CB 4.43Å; L445-I705 HydrophobicContact CB-CG1 4.31Å; L445-I705 HydrophobicContact CB-CG2 3.63Å; L445-I705 HydrophobicContact CD1-CG2 3.73Å; L445-I705 HydrophobicContact CG-CG2 4.28Å; K449-I705 HydrophobicContact CD-CG1 3.9Å; Y451-I705 HydrophobicContact CD2-CD1 4.26Å; A701-I705 WeakPolarHBondContact O-CG2 3.26Å; A701-I705 PolarHBondContact O-N 2.86Å; A701-I705 VanDerWaalsContact O-N 3.13Å; S702-I705 WeakPolarHBondContact O-CG2 3.32Å; I705-D709 WeakPolarHBondContact O-CB 3.38Å; I705-D709 PolarHBondContact O-N 3.31Å
706	D	94.2	Very high	94.6	Very high	54 Å²	54	32.6 Å²	32.6	29%	0.289	17%	0.171	S	C	.	.	H	α-helix	trans	-64.4	-44.9	175.3	-77.2	-6.7	0	0	0	111.2	K403 K449 S702 K703 D709 E710	K403-D706 IonicContact NZ-OD1 2.67Å; K403-D706 PolarHBondContact NZ-OD1 3.22Å; K403-D706 IonicContact NZ-OD2 3.01Å; K403-D706 PolarHBondContact NZ-OD2 3.29Å; K449-D706 WeakPolarHBondContact CE-OD1 3.27Å; K449-D706 IonicContact NZ-OD1 2.75Å; S702-D706 VanDerWaalsContact O-CG 3.3Å; S702-D706 PolarHBondContact O-N 2.78Å; K703-D706 PolarHBondContact O-N 3.38Å; D706-D709 PolarHBondContact O-N 2.72Å; D706-E710 WeakPolarHBondContact O-CB 3.29Å; D706-E710 PolarHBondContact O-N 3.16Å
707	W	96.4	Very high	94.4	Very high	25 Å²	25	37.8 Å²	37.8	10%	0.095	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-45.6	178	-175.5	91.8	0	0	0	111.4	P542 M543 A544 K703 D709 E710 Q711 C729 T731 Y742	P542-W707 HydrophobicContact CB-CZ3 4.31Å; M543-W707 WeakPolarHBondContact O-CZ3 3.47Å; A544-W707 HydrophobicContact CB-CE3 4.08Å; A544-W707 HydrophobicContact CB-CZ3 4.18Å; K703-W707 WeakPolarHBondContact O-CB 3.5Å; K703-W707 PolarHBondContact O-N 3.29Å; W707-D709 PolarHBondContact O-N 3.2Å; W707-E710 PolarHBondContact O-N 3.39Å; W707-Q711 HydrophobicContact CD2-CG 3.86Å; W707-Q711 HydrophobicContact CE3-CG 3.98Å; W707-Q711 HydrophobicContact CH2-CG 3.81Å; W707-Q711 HydrophobicContact CZ2-CG 3.65Å; W707-Q711 HydrophobicContact CZ3-CG 3.96Å; W707-Q711 WeakPolarHBondContact O-CB 3.38Å; W707-Q711 VanDerWaalsContact O-CG 3.27Å; W707-Q711 WeakPolarHBondContact O-CG 3.49Å; W707-Q711 PolarHBondContact O-N 2.95Å; W707-C729 WeakPolarHBondContact CH2-O 3.28Å; W707-T731 HydrophobicContact CD2-CG2 3.65Å; W707-T731 HydrophobicContact CE3-CG2 3.81Å; W707-T731 HydrophobicContact CG-CG2 4.33Å; W707-T731 HydrophobicContact CH2-CG2 3.7Å; W707-T731 HydrophobicContact CZ2-CG2 3.55Å; W707-T731 HydrophobicContact CZ3-CG2 3.84Å; W707-Y742 HydrophobicContact CB-CD1 4.34Å; W707-Y742 HydrophobicContact CB-CE1 3.78Å; W707-Y742 AromaticContact CD1-CD1 3.6Å; W707-Y742 AromaticContact CD1-CE1 3.77Å; W707-Y742 AromaticContact CG-CD1 3.98Å; W707-Y742 HydrophobicContact CG-CD1 3.98Å; W707-Y742 AromaticContact CG-CE1 3.91Å; W707-Y742 HydrophobicContact CG-CE1 3.91Å
708	L	96.9	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-42.1	176.6	-79.5	173.2	0	0	0	111.8	I423 F442 L515 P542 A544 A704 Q711 I712	I423-L708 HydrophobicContact CG2-CD1 4.19Å; F442-L708 HydrophobicContact CE2-CD1 3.75Å; F442-L708 HydrophobicContact CZ-CD1 3.58Å; L515-L708 HydrophobicContact CB-CD1 4.45Å; P542-L708 HydrophobicContact CB-CD2 3.76Å; P542-L708 WeakPolarHBondContact O-CD2 3.42Å; A544-L708 HydrophobicContact CB-CD1 4.16Å; A544-L708 HydrophobicContact CB-CD2 4.3Å; A544-L708 HydrophobicContact CB-CG 4.06Å; A704-L708 WeakPolarHBondContact O-CB 3.48Å; A704-L708 WeakPolarHBondContact O-CG 3.4Å; A704-L708 PolarHBondContact O-N 3.26Å; L708-Q711 PolarHBondContact O-N 3.17Å; L708-I712 HydrophobicContact CB-CD1 4.49Å; L708-I712 VanDerWaalsContact O-CB 3.23Å; L708-I712 WeakPolarHBondContact O-CB 3.27Å; L708-I712 WeakPolarHBondContact O-CD1 3.38Å; L708-I712 WeakPolarHBondContact O-CG1 3.46Å; L708-I712 PolarHBondContact O-N 3.5Å
709	D	95	Very high	93.4	Very high	27 Å²	27	48.9 Å²	48.9	14%	0.144	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-43.5	177.2	-178.9	55.3	0	0	0	112	K449 Y451 I705 D706 W707 N713	K449-D709 HydrophobicContact CD-CB 3.95Å; K449-D709 IonicContact NZ-OD2 2.7Å; K449-D709 PolarHBondContact NZ-OD2 2.89Å; Y451-D709 HydrophobicContact CE2-CB 4.16Å; Y451-D709 VanDerWaalsContact CE2-OD1 3.3Å; Y451-D709 WeakPolarHBondContact CE2-OD1 3.16Å; Y451-D709 PolarHBondContact OH-OD1 3.43Å; I705-D709 WeakPolarHBondContact O-CB 3.38Å; I705-D709 PolarHBondContact O-N 3.31Å; D706-D709 PolarHBondContact O-N 2.72Å; W707-D709 PolarHBondContact O-N 3.2Å; D709-N713 VanDerWaalsContact O-CB 3.31Å; D709-N713 WeakPolarHBondContact O-CB 3.45Å; D709-N713 VanDerWaalsContact O-CG 3.24Å; D709-N713 PolarHBondContact O-N 2.94Å; D709-N713 PolarHBondContact O-ND2 3.29Å; D709-N713 PolarHBondContact OD1-ND2 2.88Å
710	E	95.1	Very high	92.9	Very high	128 Å²	128	48.9 Å²	48.9	60%	0.598	27%	0.268	S	S	*	.	H	α-helix	trans	-61.8	-48.9	174.9	-175.5	178.3	-176.6	0	0	111.5	D706 W707 I712 N713 A714	D706-E710 WeakPolarHBondContact O-CB 3.29Å; D706-E710 PolarHBondContact O-N 3.16Å; W707-E710 PolarHBondContact O-N 3.39Å; E710-I712 PolarHBondContact O-N 3.15Å; E710-N713 PolarHBondContact O-N 3.03Å; E710-A714 VanDerWaalsContact O-CB 3.29Å; E710-A714 WeakPolarHBondContact O-CB 3.39Å; E710-A714 PolarHBondContact O-N 3.27Å
711	Q	95.6	Very high	92.6	Very high	39 Å²	39	51.6 Å²	51.6	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-38.6	179.9	-67.6	-59.7	-53	0	0	112.5	P542 W707 L708 N715 C729	P542-Q711 HydrophobicContact CB-CB 3.68Å; P542-Q711 HydrophobicContact CG-CB 3.7Å; W707-Q711 HydrophobicContact CD2-CG 3.86Å; W707-Q711 HydrophobicContact CE3-CG 3.98Å; W707-Q711 HydrophobicContact CH2-CG 3.81Å; W707-Q711 HydrophobicContact CZ2-CG 3.65Å; W707-Q711 HydrophobicContact CZ3-CG 3.96Å; W707-Q711 WeakPolarHBondContact O-CB 3.38Å; W707-Q711 VanDerWaalsContact O-CG 3.27Å; W707-Q711 WeakPolarHBondContact O-CG 3.49Å; W707-Q711 PolarHBondContact O-N 2.95Å; L708-Q711 PolarHBondContact O-N 3.17Å; Q711-N715 WeakPolarHBondContact O-CB 3.37Å; Q711-N715 PolarHBondContact O-N 3.4Å; Q711-N715 PolarHBondContact O-ND2 3.32Å; Q711-C729 PolarHBondContact OE1-SG 3.01Å
712	I	94.7	Very high	92.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-57.5	176.2	-75.2	166.2	0	0	0	108.9	L421 I423 Y451 P542 L708 E710 A714 N715 I716 V722	L421-I712 HydrophobicContact CD1-CG2 3.85Å; I423-I712 HydrophobicContact CD1-CD1 3.75Å; I423-I712 HydrophobicContact CG1-CD1 3.99Å; Y451-I712 HydrophobicContact CE1-CD1 4.02Å; Y451-I712 HydrophobicContact CE1-CG2 4.08Å; P542-I712 HydrophobicContact CG-CG1 4.08Å; L708-I712 HydrophobicContact CB-CD1 4.49Å; L708-I712 VanDerWaalsContact O-CB 3.23Å; L708-I712 WeakPolarHBondContact O-CB 3.27Å; L708-I712 WeakPolarHBondContact O-CD1 3.38Å; L708-I712 WeakPolarHBondContact O-CG1 3.46Å; L708-I712 PolarHBondContact O-N 3.5Å; E710-I712 PolarHBondContact O-N 3.15Å; I712-A714 VanDerWaalsContact C-N 3.27Å; I712-A714 PolarHBondContact O-N 3.43Å; I712-N715 CarbonylContact O-C 3.42Å; I712-N715 PolarHBondContact O-N 3.16Å; I712-I716 HydrophobicContact CG2-CD1 4.15Å; I712-I716 HydrophobicContact CG2-CG1 4.16Å; I712-I716 WeakPolarHBondContact O-CG1 3.36Å; I712-I716 PolarHBondContact O-N 3.21Å; I712-V722 HydrophobicContact CB-CG2 4.45Å; I712-V722 HydrophobicContact CG1-CG1 4.45Å; I712-V722 HydrophobicContact CG1-CG2 4.44Å; I712-V722 HydrophobicContact CG2-CG2 3.77Å
713	N	92.4	Very high	92.4	Very high	87 Å²	87	55.5 Å²	55.5	47%	0.465	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-34.8	-174.9	-70.6	-39.4	0	0	0	113.1	D709 E710 N715	D709-N713 VanDerWaalsContact O-CB 3.31Å; D709-N713 WeakPolarHBondContact O-CB 3.45Å; D709-N713 VanDerWaalsContact O-CG 3.24Å; D709-N713 PolarHBondContact O-N 2.94Å; D709-N713 PolarHBondContact O-ND2 3.29Å; D709-N713 PolarHBondContact OD1-ND2 2.88Å; E710-N713 PolarHBondContact O-N 3.03Å; N713-N715 PolarHBondContact O-N 3.43Å
714	A	92.5	Very high	92.3	Very high	76 Å²	76	52 Å²	52	63%	0.628	29%	0.285	S	S	*	.	H	α-helix	trans	-69.1	-19.5	175.9	0	0	0	0	0	113.8	E710 I712	E710-A714 VanDerWaalsContact O-CB 3.29Å; E710-A714 WeakPolarHBondContact O-CB 3.39Å; E710-A714 PolarHBondContact O-N 3.27Å; I712-A714 VanDerWaalsContact C-N 3.27Å; I712-A714 PolarHBondContact O-N 3.43Å
715	N	93.3	Very high	91.8	Very high	52 Å²	52	55.6 Å²	55.6	28%	0.278	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	18.9	-171.3	-62.7	-81.9	0	0	0	113.8	Q711 I712 N713 R717 V722 Y723 T724	Q711-N715 WeakPolarHBondContact O-CB 3.37Å; Q711-N715 PolarHBondContact O-N 3.4Å; Q711-N715 PolarHBondContact O-ND2 3.32Å; I712-N715 CarbonylContact O-C 3.42Å; I712-N715 PolarHBondContact O-N 3.16Å; N713-N715 PolarHBondContact O-N 3.43Å; N715-R717 PolarHBondContact O-N 2.93Å; N715-V722 HydrophobicContact CB-CG1 4.24Å; N715-Y723 PolarHBondContact O-N 3.35Å; N715-T724 HydrophobicContact CB-CG2 3.52Å
716	I	91	Very high	91.4	Very high	53 Å²	53	57.3 Å²	57.3	27%	0.272	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-68.2	128.4	169.2	-74.2	165.2	0	0	0	109.1	L421 I712 V722	L421-I716 HydrophobicContact CD1-CD1 3.75Å; L421-I716 HydrophobicContact CD1-CG1 4.23Å; I712-I716 HydrophobicContact CG2-CD1 4.15Å; I712-I716 HydrophobicContact CG2-CG1 4.16Å; I712-I716 WeakPolarHBondContact O-CG1 3.36Å; I712-I716 PolarHBondContact O-N 3.21Å; I716-V722 HydrophobicContact CG1-CG2 4.05Å
717	R	89.4	Confident	91	Very high	112 Å²	112	58.5 Å²	58.5	42%	0.423	33%	0.33	S	S	.	.			trans	-88	168.9	173	-69.4	176.5	163.1	178.4	-2.9	111.2	N715 D719 S720 T721	N715-R717 PolarHBondContact O-N 2.93Å; R717-D719 VanDerWaalsContact CB-OD1 3.25Å; R717-D719 WeakPolarHBondContact CB-OD1 3.5Å; R717-D719 PolarHBondContact O-N 3.41Å; R717-D719 VanDerWaalsContact O-N 3.16Å; R717-S720 PolarHBondContact O-N 3.31Å; R717-S720 VanDerWaalsContact O-N 3.08Å; R717-T721 WeakPolarHBondContact CB-O 3.23Å; R717-T721 PolarHBondContact N-O 2.95Å
718	S	84.5	Confident	90.6	Very high	137 Å²	137	62.9 Å²	62.9	96%	0.958	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19	178.6	51	0	0	0	0	114.6	S720	S718-S720 VanDerWaalsContact C-N 3.33Å
719	D	85.2	Confident	90.3	Very high	98 Å²	98	63.6 Å²	63.6	52%	0.524	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	13.6	176.5	67.2	-11	0	0	0	113.3	R717 T721	R717-D719 VanDerWaalsContact CB-OD1 3.25Å; R717-D719 WeakPolarHBondContact CB-OD1 3.5Å; R717-D719 PolarHBondContact O-N 3.41Å; R717-D719 VanDerWaalsContact O-N 3.16Å; D719-T721 VanDerWaalsContact CG-OG1 3.22Å; D719-T721 PolarHBondContact O-N 3.45Å; D719-T721 WeakPolarHBondContact OD1-CB 3.38Å; D719-T721 PolarHBondContact OD1-N 2.91Å; D719-T721 PolarHBondContact OD1-OG1 3.2Å; D719-T721 WeakPolarHBondContact OD2-CG2 3.21Å; D719-T721 PolarHBondContact OD2-OG1 2.93Å
720	S	83.1	Confident	90.3	Very high	58 Å²	58	62.3 Å²	62.3	41%	0.406	35%	0.353	S	S	.	.	S	Bend	trans	58.7	20.8	-173.8	-59.9	0	0	0	0	114	N419 L421 R717 S718	N419-S720 PolarHBondContact OD1-OG 2.99Å; L421-S720 VanDerWaalsContact CD2-O 3.27Å; L421-S720 WeakPolarHBondContact CD2-O 3.34Å; R717-S720 PolarHBondContact O-N 3.31Å; R717-S720 VanDerWaalsContact O-N 3.08Å; S718-S720 VanDerWaalsContact C-N 3.33Å
721	T	89	Confident	90.4	Very high	58 Å²	58	56.4 Å²	56.4	36%	0.356	33%	0.325	S	S	.	.			trans	-93.1	154.2	166.6	70.2	0	0	0	0	110.7	R717 D719	R717-T721 WeakPolarHBondContact CB-O 3.23Å; R717-T721 PolarHBondContact N-O 2.95Å; D719-T721 VanDerWaalsContact CG-OG1 3.22Å; D719-T721 PolarHBondContact O-N 3.45Å; D719-T721 WeakPolarHBondContact OD1-CB 3.38Å; D719-T721 PolarHBondContact OD1-N 2.91Å; D719-T721 PolarHBondContact OD1-OG1 3.2Å; D719-T721 WeakPolarHBondContact OD2-CG2 3.21Å; D719-T721 PolarHBondContact OD2-OG1 2.93Å
722	V	91.9	Very high	90.5	Very high	12 Å²	12	54.6 Å²	54.6	7%	0.073	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-103.7	135.4	174.4	-177.2	0	0	0	0	108.1	L421 P542 I712 N715 I716	L421-V722 HydrophobicContact CD2-CG2 4.38Å; P542-V722 HydrophobicContact CG-CG1 4.02Å; I712-V722 HydrophobicContact CB-CG2 4.45Å; I712-V722 HydrophobicContact CG1-CG1 4.45Å; I712-V722 HydrophobicContact CG1-CG2 4.44Å; I712-V722 HydrophobicContact CG2-CG2 3.77Å; N715-V722 HydrophobicContact CB-CG1 4.24Å; I716-V722 HydrophobicContact CG1-CG2 4.05Å
723	Y	93.6	Very high	90.6	Very high	74 Å²	74	54.6 Å²	54.6	29%	0.29	32%	0.317	S	S	.	.			trans	-140.1	120.3	177.3	-175.9	-98.1	0	0	0	112.9	C540 N715 P725	C540-Y723 HydrophobicContact CB-CD2 3.57Å; C540-Y723 HydrophobicContact CB-CE2 3.48Å; C540-Y723 VanDerWaalsContact CB-CE2 3.48Å; C540-Y723 HydrophobicContact CB-CG 4.37Å; C540-Y723 CarbonylContact O-C 3.54Å; C540-Y723 VanDerWaalsContact O-CA 3.31Å; C540-Y723 WeakPolarHBondContact O-CA 3.3Å; N715-Y723 PolarHBondContact O-N 3.35Å; Y723-P725 HydrophobicContact CD1-CG 4.21Å; Y723-P725 HydrophobicContact CE1-CB 3.81Å; Y723-P725 HydrophobicContact CE1-CG 3.6Å
724	T	92.3	Very high	90.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	30%	0.295	C	S	.	.			trans	-136.4	92.1	-178.5	52.1	0	0	0	0	109.5	R533 C540 I541 P542 N715 C729	R533-T724 PolarHBondContact NH1-O 3.45Å; C540-T724 CarbonylContact C-O 3.56Å; C540-T724 PolarHBondContact O-N 2.84Å; C540-T724 PolarHBondContact O-OG1 3.47Å; I541-T724 WeakPolarHBondContact CA-OG1 3.43Å; P542-T724 WeakPolarHBondContact CD-OG1 3.32Å; P542-T724 HydrophobicContact CG-CG2 3.93Å; N715-T724 HydrophobicContact CB-CG2 3.52Å; T724-C729 VanDerWaalsContact CB-SG 3.58Å; T724-C729 HydrophobicContact CG2-CB 4.03Å
725	P	86.6	Confident	90.7	Very high	76 Å²	76	48.2 Å²	48.2	49%	0.494	27%	0.272	S	S	.	.			trans	-75	-29.8	-175.7	29.5	-32.4	0	0	0	111.9	Y723	Y723-P725 HydrophobicContact CD1-CG 4.21Å; Y723-P725 HydrophobicContact CE1-CB 3.81Å; Y723-P725 HydrophobicContact CE1-CG 3.6Å
726	G	86.9	Confident	90.5	Very high	36 Å²	36	48.2 Å²	48.2	37%	0.371	27%	0.274	S	S	.	.	S	Bend	trans	-72.4	143.6	-176.6	0	0	0	0	0	113.4	R533 L728 C729	R533-G726 PolarHBondContact NH1-O 2.94Å; G726-L728 PolarHBondContact O-N 3.29Å; G726-C729 PolarHBondContact O-N 2.83Å
727	H	86.1	Confident	90.2	Very high	79 Å²	79	53.1 Å²	53.1	37%	0.366	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.7	-12.3	176.1	68.5	89.9	0	0	0	113.6	V530 C729 C730 N744 M746	V530-H727 HydrophobicContact CG1-CB 3.82Å; H727-C729 PolarHBondContact O-N 2.1Å; H727-C730 WeakPolarHBondContact O-CB 3.38Å; H727-C730 PolarHBondContact O-N 3.33Å; H727-N744 PolarHBondContact ND1-ND2 3.22Å; H727-N744 VanDerWaalsContact ND1-ND2 3.15Å; H727-N744 PolarHBondContact ND1-OD1 2.82Å; H727-N744 PolarHBondContact O-ND2 2.67Å; H727-M746 HydrophobicContact CB-CG 3.77Å
728	L	87.6	Confident	89.8	Confident	118 Å²	118	54 Å²	54	62%	0.618	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-62.6	-23.4	173.9	-66	176.7	0	0	0	112.8	G726 C730 N744	G726-L728 PolarHBondContact O-N 3.29Å; L728-C730 PolarHBondContact O-N 3.32Å; L728-N744 WeakPolarHBondContact CA-ND2 3Å
729	C	90.4	Very high	89.8	Confident	15 Å²	15	53.1 Å²	53.1	10%	0.101	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-87.1	24.2	173.2	-54.5	0	0	0	0	112.2	P542 M543 W707 Q711 T724 G726 H727	P542-C729 WeakPolarHBondContact CA-O 3.33Å; M543-C729 PolarHBondContact N-O 2.7Å; W707-C729 WeakPolarHBondContact CH2-O 3.28Å; Q711-C729 PolarHBondContact OE1-SG 3.01Å; T724-C729 VanDerWaalsContact CB-SG 3.58Å; T724-C729 HydrophobicContact CG2-CB 4.03Å; G726-C729 PolarHBondContact O-N 2.83Å; H727-C729 PolarHBondContact O-N 2.1Å
730	C	95.3	Very high	90	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	111.5	169.7	-76.3	0	0	0	0	110.1	M526 V530 R533 M543 H727 L728 I745	M526-C730 HydrophobicContact CE-CB 3.9Å; V530-C730 HydrophobicContact CG2-CB 3.74Å; V530-C730 WeakPolarHBondContact CG2-SG 3.42Å; R533-C730 VanDerWaalsContact CZ-SG 3.53Å; R533-C730 PolarHBondContact NH2-SG 3.39Å; M543-C730 VanDerWaalsContact O-CA 3.31Å; M543-C730 WeakPolarHBondContact O-CA 3.23Å; H727-C730 WeakPolarHBondContact O-CB 3.38Å; H727-C730 PolarHBondContact O-N 3.33Å; L728-C730 PolarHBondContact O-N 3.32Å; C730-I745 HydrophobicContact CB-CG1 4.36Å; C730-I745 PolarHBondContact O-N 2.91Å
731	T	96.8	Very high	90.5	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.025	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.5	-173.8	-161.3	0	0	0	0	113	M543 A544 M545 W707 I733 Y742 S743	M543-T731 PolarHBondContact O-N 2.98Å; A544-T731 CarbonylContact C-O 3.3Å; A544-T731 WeakPolarHBondContact CA-O 3.47Å; A544-T731 HydrophobicContact CB-CG2 4.27Å; M545-T731 PolarHBondContact N-O 3.28Å; W707-T731 HydrophobicContact CD2-CG2 3.65Å; W707-T731 HydrophobicContact CE3-CG2 3.81Å; W707-T731 HydrophobicContact CG-CG2 4.33Å; W707-T731 HydrophobicContact CH2-CG2 3.7Å; W707-T731 HydrophobicContact CZ2-CG2 3.55Å; W707-T731 HydrophobicContact CZ3-CG2 3.84Å; T731-I733 HydrophobicContact CG2-CG1 4.16Å; T731-Y742 HydrophobicContact CG2-CD1 4.17Å; T731-Y742 WeakPolarHBondContact OG1-CA 3.29Å; T731-Y742 WeakPolarHBondContact OG1-CB 3.45Å; T731-S743 CarbonylContact C-O 3.53Å; T731-S743 VanDerWaalsContact CA-O 3.31Å; T731-S743 WeakPolarHBondContact CA-O 3.42Å; T731-S743 PolarHBondContact OG1-N 3.48Å; T731-S743 PolarHBondContact OG1-O 3.22Å
732	L	97.3	Very high	90.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.5	163.4	-174.9	146.4	0	0	0	109.1	M545 P547 V554 P555 Y742 S743 I745 L748	M545-L732 HydrophobicContact CE-CD1 4.22Å; M545-L732 HydrophobicContact CG-CD1 4.5Å; M545-L732 HydrophobicContact SD-CD1 3.87Å; P547-L732 HydrophobicContact CG-CD2 4.29Å; V554-L732 HydrophobicContact CG1-CD1 3.66Å; P555-L732 WeakPolarHBondContact O-CD1 3.1Å; L732-Y742 WeakPolarHBondContact O-CA 3.2Å; L732-S743 PolarHBondContact N-O 2.89Å; L732-S743 PolarHBondContact O-N 2.83Å; L732-I745 HydrophobicContact CB-CD1 3.77Å; L732-I745 HydrophobicContact CD1-CD1 4.44Å; L732-L748 HydrophobicContact CB-CD1 4.01Å; L732-L748 HydrophobicContact CD1-CD1 4.15Å
733	I	97.3	Very high	90.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	105.5	179.5	-55.6	174.8	0	0	0	108	A544 M545 P547 F700 K703 A704 T731 T740 T741 Y742	A544-I733 HydrophobicContact CB-CD1 4.08Å; M545-I733 PolarHBondContact O-N 3.07Å; P547-I733 WeakPolarHBondContact CD-O 2.9Å; F700-I733 HydrophobicContact CD1-CG2 3.78Å; F700-I733 HydrophobicContact CE1-CG2 4.1Å; F700-I733 HydrophobicContact CG-CG2 4.44Å; K703-I733 HydrophobicContact CB-CG2 4.26Å; A704-I733 HydrophobicContact CB-CD1 3.46Å; A704-I733 VanDerWaalsContact CB-CD1 3.46Å; T731-I733 HydrophobicContact CG2-CG1 4.16Å; I733-T740 HydrophobicContact CG2-CG2 4.06Å; I733-T741 WeakPolarHBondContact CA-O 3.41Å; I733-Y742 HydrophobicContact CD1-CE1 4.19Å; I733-Y742 HydrophobicContact CG1-CD1 3.94Å; I733-Y742 HydrophobicContact CG1-CE1 4.04Å; I733-Y742 HydrophobicContact CG2-CE1 4.49Å
734	G	94.9	Very high	91	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	177.8	-177.5	0	0	0	0	0	112.8	T557 T740 T741	T557-G734 WeakPolarHBondContact OG1-CA 3.42Å; G734-T740 CarbonylContact O-C 3.55Å; G734-T740 WeakPolarHBondContact O-CA 3.43Å; G734-T741 PolarHBondContact N-O 3.13Å; G734-T741 PolarHBondContact O-N 3.28Å; G734-T741 PolarHBondContact O-OG1 2.92Å
735	I	92.2	Very high	91	Very high	30 Å²	30	49.4 Å²	49.4	15%	0.154	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126	161.8	-68	-179	0	0	0	107.3	T557 D558 L696 F700 Q739	T557-I735 PolarHBondContact OG1-N 2.9Å; T557-I735 PolarHBondContact OG1-O 3.5Å; D558-I735 WeakPolarHBondContact CB-O 3.26Å; D558-I735 PolarHBondContact N-O 2.82Å; L696-I735 HydrophobicContact CD1-CD1 3.27Å; L696-I735 HydrophobicContact CD1-CG1 4.23Å; F700-I735 HydrophobicContact CE1-CD1 4.15Å; F700-I735 HydrophobicContact CE1-CG1 3.72Å; F700-I735 HydrophobicContact CZ-CD1 4.24Å; F700-I735 HydrophobicContact CZ-CG1 3.84Å; I735-Q739 WeakPolarHBondContact CA-O 3.24Å
736	V	89.6	Confident	91.4	Very high	52 Å²	52	48.2 Å²	48.2	32%	0.315	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.5	169.6	-179.8	0	0	0	0	107.8	R738 Q739 T741	V736-R738 PolarHBondContact O-N 3.4Å; V736-Q739 PolarHBondContact N-O 3.22Å; V736-Q739 PolarHBondContact O-N 3.03Å; V736-T741 HydrophobicContact CB-CG2 3.91Å; V736-T741 HydrophobicContact CG2-CG2 3.88Å
737	R	84	Confident	91.8	Very high	156 Å²	156	51.8 Å²	51.8	59%	0.589	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	-97.3	-169.9	-55.4	174.5	-176.2	-177.8	-0.6	111.2	G356 D558	G356-R737 WeakPolarHBondContact CA-O 3.44Å; D558-R737 PolarHBondContact OD2-N 2.99Å
738	R	80.8	Confident	92.2	Very high	130 Å²	130	48.9 Å²	48.9	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-8.8	178.8	75.2	-174.4	-176.1	-170	-0.9	114	D355 V736	D355-R738 VanDerWaalsContact OD1-CD 3.26Å; D355-R738 WeakPolarHBondContact OD1-CD 3.17Å; D355-R738 IonicContact OD1-CZ 2.74Å; D355-R738 IonicContact OD1-NE 3.27Å; D355-R738 IonicContact OD1-NH1 2.67Å; D355-R738 PolarHBondContact OD1-NH1 3.45Å; D355-R738 IonicContact OD2-NH1 2.99Å; D355-R738 PolarHBondContact OD2-NH1 2.96Å; V736-R738 PolarHBondContact O-N 3.4Å
739	Q	84.8	Confident	92.5	Very high	118 Å²	118	46 Å²	46	55%	0.551	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.6	-170.4	-67	-173.1	-12	0	0	110	I735 V736 T741	I735-Q739 WeakPolarHBondContact CA-O 3.24Å; V736-Q739 PolarHBondContact N-O 3.22Å; V736-Q739 PolarHBondContact O-N 3.03Å; Q739-T741 PolarHBondContact O-N 2.95Å
740	T	89.7	Confident	92.6	Very high	56 Å²	56	52.3 Å²	52.3	34%	0.344	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	125.1	162.4	-53.3	0	0	0	0	108.3	K703 I733 G734 Y742	K703-T740 HydrophobicContact CG-CG2 4.26Å; I733-T740 HydrophobicContact CG2-CG2 4.06Å; G734-T740 CarbonylContact O-C 3.55Å; G734-T740 WeakPolarHBondContact O-CA 3.43Å; T740-Y742 HydrophobicContact CG2-CE2 4.48Å
741	T	92.7	Very high	92.4	Very high	30 Å²	30	57.2 Å²	57.2	18%	0.184	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.5	-179.7	48.7	0	0	0	0	110.1	G556 I733 G734 V736 Q739	G556-T741 PolarHBondContact O-OG1 3.28Å; I733-T741 WeakPolarHBondContact CA-O 3.41Å; G734-T741 PolarHBondContact N-O 3.13Å; G734-T741 PolarHBondContact O-N 3.28Å; G734-T741 PolarHBondContact O-OG1 2.92Å; V736-T741 HydrophobicContact CB-CG2 3.91Å; V736-T741 HydrophobicContact CG2-CG2 3.88Å; Q739-T741 PolarHBondContact O-N 2.95Å
742	Y	95.5	Very high	92.4	Very high	94 Å²	94	57.3 Å²	57.3	37%	0.369	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	86	171.3	-63.7	-88.4	0	0	0	106.8	K703 W707 T731 L732 I733 T740	K703-Y742 WeakPolarHBondContact CD-OH 3.31Å; W707-Y742 HydrophobicContact CB-CD1 4.34Å; W707-Y742 HydrophobicContact CB-CE1 3.78Å; W707-Y742 AromaticContact CD1-CD1 3.6Å; W707-Y742 AromaticContact CD1-CE1 3.77Å; W707-Y742 AromaticContact CG-CD1 3.98Å; W707-Y742 HydrophobicContact CG-CD1 3.98Å; W707-Y742 AromaticContact CG-CE1 3.91Å; W707-Y742 HydrophobicContact CG-CE1 3.91Å; T731-Y742 HydrophobicContact CG2-CD1 4.17Å; T731-Y742 WeakPolarHBondContact OG1-CA 3.29Å; T731-Y742 WeakPolarHBondContact OG1-CB 3.45Å; L732-Y742 WeakPolarHBondContact O-CA 3.2Å; I733-Y742 HydrophobicContact CD1-CE1 4.19Å; I733-Y742 HydrophobicContact CG1-CD1 3.94Å; I733-Y742 HydrophobicContact CG1-CE1 4.04Å; I733-Y742 HydrophobicContact CG2-CE1 4.49Å; T740-Y742 HydrophobicContact CG2-CE2 4.48Å
743	S	94.9	Very high	92.4	Very high	29 Å²	29	59.6 Å²	59.6	20%	0.203	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.5	-172.9	-66.5	0	0	0	0	110.6	T731 L732 I745	T731-S743 CarbonylContact C-O 3.53Å; T731-S743 VanDerWaalsContact CA-O 3.31Å; T731-S743 WeakPolarHBondContact CA-O 3.42Å; T731-S743 PolarHBondContact OG1-N 3.48Å; T731-S743 PolarHBondContact OG1-O 3.22Å; L732-S743 PolarHBondContact N-O 2.89Å; L732-S743 PolarHBondContact O-N 2.83Å; S743-I745 PolarHBondContact O-N 3.27Å
744	N	94.9	Very high	92.3	Very high	14 Å²	14	63.3 Å²	63.3	8%	0.075	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.7	175	-170.8	-79.1	0	0	0	110.2	H727 L728 M746 E747 L748	H727-N744 PolarHBondContact ND1-ND2 3.22Å; H727-N744 VanDerWaalsContact ND1-ND2 3.15Å; H727-N744 PolarHBondContact ND1-OD1 2.82Å; H727-N744 PolarHBondContact O-ND2 2.67Å; L728-N744 WeakPolarHBondContact CA-ND2 3Å; N744-M746 VanDerWaalsContact C-N 3.26Å; N744-M746 PolarHBondContact O-N 3.18Å; N744-M746 WeakPolarHBondContact OD1-CA 3.43Å; N744-M746 WeakPolarHBondContact OD1-CB 3.44Å; N744-M746 PolarHBondContact OD1-N 3.3Å; N744-E747 HydrophobicContact CB-CB 4.01Å; N744-E747 HydrophobicContact CB-CG 3.78Å; N744-E747 PolarHBondContact O-N 3.21Å; N744-E747 PolarHBondContact OD1-N 3.01Å; N744-L748 WeakPolarHBondContact O-CG 3.47Å; N744-L748 PolarHBondContact O-N 3.15Å; N744-L748 VanDerWaalsContact O-N 3.11Å
745	I	93.8	Very high	92.3	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-38.5	-177.7	-68.8	-73.7	0	0	0	112.4	Y523 M526 I527 M545 C730 L732 S743	Y523-I745 HydrophobicContact CD2-CD1 3.89Å; Y523-I745 HydrophobicContact CD2-CG2 4.33Å; Y523-I745 HydrophobicContact CE2-CD1 4.04Å; Y523-I745 HydrophobicContact CE2-CG2 3.88Å; Y523-I745 PolarHBondContact OH-O 2.79Å; M526-I745 HydrophobicContact CB-CD1 4.12Å; M526-I745 HydrophobicContact CB-CG1 4.28Å; M526-I745 HydrophobicContact CB-CG2 3.97Å; M526-I745 HydrophobicContact CE-CD1 4.2Å; M526-I745 HydrophobicContact CE-CG1 3.74Å; M526-I745 HydrophobicContact CG-CD1 4.3Å; I527-I745 HydrophobicContact CG1-CG2 3.7Å; M545-I745 HydrophobicContact CB-CD1 4.35Å; M545-I745 HydrophobicContact SD-CD1 4.28Å; C730-I745 HydrophobicContact CB-CG1 4.36Å; C730-I745 PolarHBondContact O-N 2.91Å; L732-I745 HydrophobicContact CB-CD1 3.77Å; L732-I745 HydrophobicContact CD1-CD1 4.44Å; S743-I745 PolarHBondContact O-N 3.27Å
746	M	94.2	Very high	92.5	Very high	51 Å²	51	69.9 Å²	69.9	25%	0.251	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-38	-177.6	-60.6	-62.7	-71.3	0	0	111.8	V530 H727 N744 L748 R749	V530-M746 HydrophobicContact CB-SD 4.14Å; V530-M746 HydrophobicContact CG1-CE 4.43Å; V530-M746 HydrophobicContact CG1-CG 3.92Å; V530-M746 HydrophobicContact CG1-SD 3.71Å; H727-M746 HydrophobicContact CB-CG 3.77Å; N744-M746 VanDerWaalsContact C-N 3.26Å; N744-M746 PolarHBondContact O-N 3.18Å; N744-M746 WeakPolarHBondContact OD1-CA 3.43Å; N744-M746 WeakPolarHBondContact OD1-CB 3.44Å; N744-M746 PolarHBondContact OD1-N 3.3Å; M746-L748 VanDerWaalsContact C-N 3.28Å; M746-L748 PolarHBondContact O-N 3.3Å; M746-R749 VanDerWaalsContact CE-NH2 3.32Å; M746-R749 VanDerWaalsContact O-CB 3.27Å; M746-R749 WeakPolarHBondContact O-CB 3.5Å; M746-R749 WeakPolarHBondContact O-CG 3.23Å; M746-R749 PolarHBondContact O-N 2.89Å; M746-R749 VanDerWaalsContact O-N 3.16Å; M746-R749 VanDerWaalsContact SD-CZ 3.53Å; M746-R749 PolarHBondContact SD-NE 2.91Å; M746-R749 VanDerWaalsContact SD-NE 3.4Å; M746-R749 PolarHBondContact SD-NH2 2.97Å
747	E	94.4	Very high	92.9	Very high	112 Å²	112	70.5 Å²	70.5	52%	0.523	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-66	-32.6	175.1	-65.1	174.1	-176	0	0	111.8	N744 R749 E750 H751	N744-E747 HydrophobicContact CB-CB 4.01Å; N744-E747 HydrophobicContact CB-CG 3.78Å; N744-E747 PolarHBondContact O-N 3.21Å; N744-E747 PolarHBondContact OD1-N 3.01Å; E747-R749 PolarHBondContact O-N 2.75Å; E747-E750 PolarHBondContact O-N 3.38Å; E747-H751 PolarHBondContact O-ND1 2.91Å
748	L	94.3	Very high	93.4	Very high	17 Å²	17	63.4 Å²	63.4	9%	0.089	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.9	-20.5	175.2	-71.2	176.3	0	0	0	113	Y523 P555 L732 N744 M746 E750 H751 T752	Y523-L748 HydrophobicContact CE2-CB 4.07Å; Y523-L748 HydrophobicContact CE2-CD1 4.33Å; Y523-L748 WeakPolarHBondContact OH-CB 3.41Å; P555-L748 HydrophobicContact CB-CB 4.5Å; P555-L748 HydrophobicContact CB-CD2 4.43Å; P555-L748 HydrophobicContact CG-CB 4.45Å; L732-L748 HydrophobicContact CB-CD1 4.01Å; L732-L748 HydrophobicContact CD1-CD1 4.15Å; N744-L748 WeakPolarHBondContact O-CG 3.47Å; N744-L748 PolarHBondContact O-N 3.15Å; N744-L748 VanDerWaalsContact O-N 3.11Å; M746-L748 VanDerWaalsContact C-N 3.28Å; M746-L748 PolarHBondContact O-N 3.3Å; L748-E750 PolarHBondContact O-N 3.48Å; L748-H751 CarbonylContact O-C 3.43Å; L748-H751 PolarHBondContact O-N 3.01Å; L748-T752 PolarHBondContact O-N 3.28Å; L748-T752 PolarHBondContact O-OG1 3.02Å
749	R	94	Very high	94.1	Very high	59 Å²	59	58.1 Å²	58.1	22%	0.223	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-60.8	-36.3	179.2	-65.4	-171.6	-179.3	-166.5	4.9	112.1	Y523 I527 E531 M746 E747 H751 T752 F754	Y523-R749 WeakPolarHBondContact OH-CA 3.15Å; Y523-R749 PolarHBondContact OH-N 3.39Å; I527-R749 HydrophobicContact CD1-CG 3.81Å; I527-R749 HydrophobicContact CG1-CG 4.32Å; I527-R749 VanDerWaalsContact CG2-CZ 3.42Å; I527-R749 PolarHBondContact O-NH2 3.48Å; E531-R749 VanDerWaalsContact CD-NH2 3.26Å; E531-R749 IonicContact OE1-CZ 2.68Å; E531-R749 IonicContact OE1-NH1 3.21Å; E531-R749 PolarHBondContact OE1-NH1 2.89Å; E531-R749 IonicContact OE1-NH2 3.92Å; E531-R749 PolarHBondContact OE1-NH2 3.41Å; M746-R749 VanDerWaalsContact CE-NH2 3.32Å; M746-R749 VanDerWaalsContact O-CB 3.27Å; M746-R749 WeakPolarHBondContact O-CB 3.5Å; M746-R749 WeakPolarHBondContact O-CG 3.23Å; M746-R749 PolarHBondContact O-N 2.89Å; M746-R749 VanDerWaalsContact O-N 3.16Å; M746-R749 VanDerWaalsContact SD-CZ 3.53Å; M746-R749 PolarHBondContact SD-NE 2.91Å; M746-R749 VanDerWaalsContact SD-NE 3.4Å; M746-R749 PolarHBondContact SD-NH2 2.97Å; E747-R749 PolarHBondContact O-N 2.75Å; R749-H751 PolarHBondContact O-N 2.8Å; R749-T752 PolarHBondContact O-N 3.37Å; R749-F754 HydrophobicContact CB-CE2 4.22Å; R749-F754 HydrophobicContact CB-CZ 4.29Å; R749-F754 HydrophobicContact CG-CE2 4.45Å; R749-F754 HydrophobicContact CG-CZ 4.05Å
750	E	92.6	Very high	94.4	Very high	146 Å²	146	59.1 Å²	59.1	68%	0.682	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-64.9	-24.4	178.8	-61	-174.7	170.2	0	0	112.2	E747 L748 K760	E747-E750 PolarHBondContact O-N 3.38Å; L748-E750 PolarHBondContact O-N 3.48Å; E750-K760 WeakPolarHBondContact O-CE 3.3Å; E750-K760 PolarHBondContact O-NZ 3.08Å
751	H	92.3	Very high	94.3	Very high	103 Å²	103	63.9 Å²	63.9	48%	0.477	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-103	14.3	-178	-57.7	85.9	0	0	0	112.7	E747 L748 R749 K760	E747-H751 PolarHBondContact O-ND1 2.91Å; L748-H751 CarbonylContact O-C 3.43Å; L748-H751 PolarHBondContact O-N 3.01Å; R749-H751 PolarHBondContact O-N 2.8Å; H751-K760 PolarHBondContact O-N 3.39Å
752	T	96.4	Very high	94.2	Very high	7 Å²	7	63.7 Å²	63.7	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.1	-174.2	-57.7	0	0	0	0	111.8	F520 Y523 P555 L748 R749 F754	F520-T752 HydrophobicContact CE2-CG2 3.53Å; F520-T752 HydrophobicContact CZ-CG2 3.42Å; F520-T752 VanDerWaalsContact CZ-CG2 3.42Å; Y523-T752 HydrophobicContact CE1-CG2 4Å; P555-T752 HydrophobicContact CG-CG2 4.49Å; P555-T752 WeakPolarHBondContact CG-OG1 3.36Å; L748-T752 PolarHBondContact O-N 3.28Å; L748-T752 PolarHBondContact O-OG1 3.02Å; R749-T752 PolarHBondContact O-N 3.37Å; T752-F754 HydrophobicContact CG2-CD1 4.29Å; T752-F754 HydrophobicContact CG2-CD2 4Å; T752-F754 HydrophobicContact CG2-CE1 4.13Å; T752-F754 HydrophobicContact CG2-CE2 3.82Å; T752-F754 HydrophobicContact CG2-CG 4.22Å; T752-F754 HydrophobicContact CG2-CZ 3.88Å
753	D	96.4	Very high	94	Very high	48 Å²	48	61.7 Å²	61.7	26%	0.257	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	103.2	162.7	-178.7	-13.5	0	0	0	108.8	V755 H756 R757 L758	D753-V755 VanDerWaalsContact C-N 3.34Å; D753-V755 WeakPolarHBondContact OD1-CB 3.27Å; D753-V755 PolarHBondContact OD1-N 3.42Å; D753-H756 PolarHBondContact OD1-N 2.96Å; D753-H756 VanDerWaalsContact OD1-N 3.09Å; D753-H756 IonicContact OD1-ND1 2.79Å; D753-H756 IonicContact OD2-CE1 3.95Å; D753-H756 IonicContact OD2-CG 2.87Å; D753-H756 IonicContact OD2-ND1 2.57Å; D753-H756 PolarHBondContact OD2-ND1 3.33Å; D753-R757 CarbonylContact O-C 3.59Å; D753-R757 WeakPolarHBondContact O-CA 3.27Å; D753-R757 PolarHBondContact O-N 3.14Å; D753-L758 HydrophobicContact CB-CB 4.42Å; D753-L758 PolarHBondContact N-O 3.23Å; D753-L758 PolarHBondContact O-N 2.85Å
754	F	95.7	Very high	93.9	Very high	77 Å²	77	60.5 Å²	60.5	34%	0.338	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.6	179.1	-72.5	-85.4	0	0	0	113.6	F520 Y523 E524 I527 R749 T752	F520-F754 AromaticContact CE1-CD1 3.98Å; F520-F754 HydrophobicContact CE1-CD1 3.98Å; F520-F754 HydrophobicContact CE1-CE1 4.39Å; F520-F754 AromaticContact CZ-CD1 3.92Å; F520-F754 HydrophobicContact CZ-CD1 3.92Å; F520-F754 HydrophobicContact CZ-CE1 4.25Å; Y523-F754 HydrophobicContact CD1-CE1 4.4Å; Y523-F754 AromaticContact CE1-CE1 3.9Å; Y523-F754 HydrophobicContact CE1-CE1 3.9Å; Y523-F754 AromaticContact CE1-CZ 3.84Å; Y523-F754 HydrophobicContact CE1-CZ 3.84Å; E524-F754 HydrophobicContact CG-CE1 4.49Å; I527-F754 HydrophobicContact CD1-CE1 3.71Å; I527-F754 HydrophobicContact CD1-CZ 3.65Å; R749-F754 HydrophobicContact CB-CE2 4.22Å; R749-F754 HydrophobicContact CB-CZ 4.29Å; R749-F754 HydrophobicContact CG-CE2 4.45Å; R749-F754 HydrophobicContact CG-CZ 4.05Å; T752-F754 HydrophobicContact CG2-CD1 4.29Å; T752-F754 HydrophobicContact CG2-CD2 4Å; T752-F754 HydrophobicContact CG2-CE1 4.13Å; T752-F754 HydrophobicContact CG2-CE2 3.82Å; T752-F754 HydrophobicContact CG2-CG 4.22Å; T752-F754 HydrophobicContact CG2-CZ 3.88Å
755	V	95.8	Very high	93.8	Very high	118 Å²	118	61.2 Å²	61.2	72%	0.715	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-46.8	-178.4	178.7	0	0	0	0	109.6	D753	D753-V755 VanDerWaalsContact C-N 3.34Å; D753-V755 WeakPolarHBondContact OD1-CB 3.27Å; D753-V755 PolarHBondContact OD1-N 3.42Å
756	H	95.9	Very high	93.7	Very high	51 Å²	51	62.7 Å²	62.7	24%	0.236	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-8.6	-179.9	-53.8	103.8	0	0	0	113	Y597 F617 D753 L758	Y597-H756 HydrophobicContact CD2-CB 4.05Å; Y597-H756 WeakPolarHBondContact CD2-O 3.41Å; Y597-H756 HydrophobicContact CG-CB 4Å; F617-H756 HydrophobicContact CE1-CB 4.1Å; F617-H756 AromaticContact CE1-CD2 3.91Å; F617-H756 AromaticContact CE1-CG 3.76Å; F617-H756 HydrophobicContact CZ-CB 4.47Å; F617-H756 AromaticContact CZ-CD2 3.39Å; F617-H756 WeakPolarHBondContact CZ-CD2 3.08Å; F617-H756 AromaticContact CZ-CE1 3.85Å; F617-H756 AromaticContact CZ-CG 3.69Å; F617-H756 AromaticContact CZ-ND1 3.96Å; F617-H756 AromaticContact CZ-NE2 3.53Å; D753-H756 PolarHBondContact OD1-N 2.96Å; D753-H756 VanDerWaalsContact OD1-N 3.09Å; D753-H756 IonicContact OD1-ND1 2.79Å; D753-H756 IonicContact OD2-CE1 3.95Å; D753-H756 IonicContact OD2-CG 2.87Å; D753-H756 IonicContact OD2-ND1 2.57Å; D753-H756 PolarHBondContact OD2-ND1 3.33Å; H756-L758 HydrophobicContact CB-CD1 3.87Å; H756-L758 HydrophobicContact CB-CG 4.12Å
757	R	96.9	Very high	93.6	Very high	64 Å²	64	60.3 Å²	60.3	24%	0.242	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	52.2	179.3	-53.5	175.6	61.1	-167.2	-6.3	111.9	F520 E521 N553 D753	F520-R757 HydrophobicContact CB-CB 4.47Å; F520-R757 VanDerWaalsContact CB-NH2 3.35Å; F520-R757 HydrophobicContact CD1-CB 3.77Å; F520-R757 HydrophobicContact CD1-CG 3.86Å; F520-R757 HydrophobicContact CD2-CB 3.92Å; F520-R757 HydrophobicContact CE1-CB 3.85Å; F520-R757 HydrophobicContact CE1-CG 3.79Å; F520-R757 VanDerWaalsContact CE2-C 3.46Å; F520-R757 HydrophobicContact CE2-CB 4.01Å; F520-R757 HydrophobicContact CG-CB 3.8Å; F520-R757 HydrophobicContact CG-CG 4.39Å; F520-R757 HydrophobicContact CZ-CB 3.97Å; F520-R757 HydrophobicContact CZ-CG 4.29Å; E521-R757 VanDerWaalsContact N-NH2 3.19Å; E521-R757 IonicContact OE1-CZ 2.79Å; E521-R757 VanDerWaalsContact OE1-CZ 3.31Å; E521-R757 IonicContact OE1-NH1 3.62Å; E521-R757 PolarHBondContact OE1-NH1 2.8Å; E521-R757 IonicContact OE1-NH2 2.73Å; E521-R757 PolarHBondContact OE1-NH2 3Å; E521-R757 IonicContact OE2-CZ 2.61Å; E521-R757 IonicContact OE2-NH1 3.69Å; E521-R757 IonicContact OE2-NH2 3.49Å; E521-R757 PolarHBondContact OE2-NH2 2.99Å; N553-R757 PolarHBondContact ND2-O 2.9Å; D753-R757 CarbonylContact O-C 3.59Å; D753-R757 WeakPolarHBondContact O-CA 3.27Å; D753-R757 PolarHBondContact O-N 3.14Å
758	L	95.8	Very high	93.4	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151	-174.7	-65.4	173.9	0	0	0	111.7	N553 C598 F617 D753 H756	N553-L758 HydrophobicContact CB-CD2 4.33Å; C598-L758 HydrophobicContact CB-CD2 3.48Å; C598-L758 VanDerWaalsContact CB-CD2 3.48Å; F617-L758 HydrophobicContact CD1-CD1 3.89Å; F617-L758 HydrophobicContact CE1-CD1 4.04Å; D753-L758 HydrophobicContact CB-CB 4.42Å; D753-L758 PolarHBondContact N-O 3.23Å; D753-L758 PolarHBondContact O-N 2.85Å; H756-L758 HydrophobicContact CB-CD1 3.87Å; H756-L758 HydrophobicContact CB-CG 4.12Å
759	P	94.6	Very high	93.2	Very high	19 Å²	19	55.4 Å²	55.4	12%	0.123	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	147.1	157.9	21.9	-14.5	0	0	0	110.1	P555 E761 E762	P555-P759 HydrophobicContact CB-CB 4.28Å; P759-E761 VanDerWaalsContact C-N 3.26Å; P759-E761 PolarHBondContact O-N 3.09Å; P759-E762 HydrophobicContact CG-CG 3.79Å
760	K	91	Very high	93.1	Very high	138 Å²	138	53.5 Å²	53.5	60%	0.6	26%	0.259	S	S	*	.	S	Bend	trans	-71.5	-21.6	177.3	-70.9	-177.5	-177.3	173.4	0	113.7	E750 H751	E750-K760 WeakPolarHBondContact O-CE 3.3Å; E750-K760 PolarHBondContact O-NZ 3.08Å; H751-K760 PolarHBondContact O-N 3.39Å
761	E	88.5	Confident	93.1	Very high	157 Å²	157	46.8 Å²	46.8	73%	0.734	23%	0.227	S	C	*	.			trans	-127.3	127.7	179.1	-68	-176.2	-177.5	0	0	109.7	P759	P759-E761 VanDerWaalsContact C-N 3.26Å; P759-E761 PolarHBondContact O-N 3.09Å
762	E	90.5	Very high	93	Very high	26 Å²	26	42.5 Å²	42.5	12%	0.121	21%	0.207	C	C	.	.			trans	-130.8	114.5	-174.8	-76.1	173.6	120.3	0	0	110.4	C598 P759 W764 L765	C598-E762 PolarHBondContact SG-OE1 3.26Å; P759-E762 HydrophobicContact CG-CG 3.79Å; E762-W764 HydrophobicContact CB-CZ2 4.22Å; E762-W764 HydrophobicContact CG-CZ2 4.33Å; E762-W764 PolarHBondContact O-N 3.29Å; E762-W764 VanDerWaalsContact OE1-CZ2 3.26Å; E762-W764 WeakPolarHBondContact OE1-CZ2 3.13Å; E762-L765 HydrophobicContact CB-CD1 3.9Å; E762-L765 HydrophobicContact CB-CG 4.07Å; E762-L765 PolarHBondContact O-N 2.72Å
763	W	91.4	Very high	92.7	Very high	52 Å²	52	42.4 Å²	42.4	20%	0.197	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.9	-32.1	-173.1	68.6	-97.6	0	0	0	113.1	N357 D558 F559 Y600 M604 L765 S766 L767	N357-W763 WeakPolarHBondContact ND2-CH2 3.47Å; N357-W763 WeakPolarHBondContact ND2-CZ2 3.36Å; N357-W763 WeakPolarHBondContact ND2-CZ3 3.26Å; D558-W763 PolarHBondContact O-NE1 3.48Å; F559-W763 HydrophobicContact CE1-CH2 4.32Å; F559-W763 AromaticContact CE1-CZ2 3.64Å; F559-W763 HydrophobicContact CE1-CZ2 3.64Å; F559-W763 HydrophobicContact CZ-CH2 4.27Å; F559-W763 AromaticContact CZ-CZ2 3.74Å; F559-W763 HydrophobicContact CZ-CZ2 3.74Å; Y600-W763 AromaticContact CE2-CZ2 3.93Å; Y600-W763 HydrophobicContact CE2-CZ2 3.93Å; M604-W763 HydrophobicContact CE-CH2 3.94Å; M604-W763 HydrophobicContact SD-CH2 4.42Å; W763-L765 VanDerWaalsContact C-N 3.28Å; W763-L765 PolarHBondContact O-N 3.4Å; W763-S766 WeakPolarHBondContact O-CB 2.94Å; W763-S766 PolarHBondContact O-N 2.75Å; W763-S766 PolarHBondContact O-OG 2.54Å; W763-L767 HydrophobicContact CZ3-CD1 3.85Å
764	W	93.2	Very high	92.5	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.011	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-75.5	-15.9	-172.7	56	-96.3	0	0	0	113	Y600 T603 M604 I616 E618 E762 S766 L767	Y600-W764 HydrophobicContact CD2-CB 4.11Å; Y600-W764 AromaticContact CD2-CD1 3.5Å; Y600-W764 VanDerWaalsContact CD2-CD1 3.5Å; Y600-W764 HydrophobicContact CD2-CD2 4.2Å; Y600-W764 AromaticContact CD2-CG 3.66Å; Y600-W764 HydrophobicContact CD2-CG 3.66Å; Y600-W764 AromaticContact CD2-NE1 3.89Å; Y600-W764 HydrophobicContact CE2-CB 4.49Å; Y600-W764 HydrophobicContact CE2-CG 4.46Å; Y600-W764 VanDerWaalsContact N-CZ2 3.33Å; T603-W764 HydrophobicContact CG2-CE3 4.02Å; T603-W764 HydrophobicContact CG2-CZ3 4.3Å; T603-W764 WeakPolarHBondContact OG1-CZ3 3.43Å; M604-W764 HydrophobicContact SD-CB 3.93Å; I616-W764 HydrophobicContact CD1-CH2 4.07Å; I616-W764 HydrophobicContact CD1-CZ3 3.85Å; E618-W764 HydrophobicContact CG-CH2 4.3Å; E618-W764 VanDerWaalsContact OE1-CH2 3.28Å; E618-W764 WeakPolarHBondContact OE1-CH2 3.35Å; E618-W764 WeakPolarHBondContact OE1-CZ2 3.38Å; E762-W764 HydrophobicContact CB-CZ2 4.22Å; E762-W764 HydrophobicContact CG-CZ2 4.33Å; E762-W764 PolarHBondContact O-N 3.29Å; E762-W764 VanDerWaalsContact OE1-CZ2 3.26Å; E762-W764 WeakPolarHBondContact OE1-CZ2 3.13Å; W764-S766 PolarHBondContact O-N 2.75Å; W764-L767 WeakPolarHBondContact O-CB 3.25Å; W764-L767 PolarHBondContact O-N 3.11Å
765	L	92.9	Very high	92.1	Very high	29 Å²	29	36.7 Å²	36.7	15%	0.152	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.2	-29.9	172.8	-70.7	172	0	0	0	111.9	I616 E618 E762 W763 L767 R768	I616-L765 HydrophobicContact CD1-CD2 3.98Å; E618-L765 HydrophobicContact CB-CD1 4.46Å; E618-L765 HydrophobicContact CB-CD2 3.92Å; E618-L765 HydrophobicContact CG-CD2 4.47Å; E762-L765 HydrophobicContact CB-CD1 3.9Å; E762-L765 HydrophobicContact CB-CG 4.07Å; E762-L765 PolarHBondContact O-N 2.72Å; W763-L765 VanDerWaalsContact C-N 3.28Å; W763-L765 PolarHBondContact O-N 3.4Å; L765-L767 PolarHBondContact O-N 3.22Å; L765-L767 VanDerWaalsContact O-N 3.08Å; L765-R768 HydrophobicContact CD2-CG 4.33Å; L765-R768 VanDerWaalsContact O-CB 3.27Å; L765-R768 WeakPolarHBondContact O-CB 2.97Å; L765-R768 VanDerWaalsContact O-CG 3.25Å; L765-R768 WeakPolarHBondContact O-CG 3.43Å; L765-R768 PolarHBondContact O-N 3.07Å
766	S	90.1	Very high	91.2	Very high	31 Å²	31	35.2 Å²	35.2	22%	0.217	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.5	-16.4	174.4	68	0	0	0	0	114	G19 W763 W764 P769	G19-S766 VanDerWaalsContact CA-O 3.24Å; G19-S766 WeakPolarHBondContact CA-O 3.46Å; G19-S766 PolarHBondContact N-O 2.94Å; W763-S766 WeakPolarHBondContact O-CB 2.94Å; W763-S766 PolarHBondContact O-N 2.75Å; W763-S766 PolarHBondContact O-OG 2.54Å; W764-S766 PolarHBondContact O-N 2.75Å; S766-P769 WeakPolarHBondContact O-CD 3.49Å
767	L	92.3	Very high	89.6	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-90.5	-8.5	177.8	-57.8	-177.7	0	0	0	113.4	R329 M604 L607 W763 W764 L765 L770 M771	R329-L767 HydrophobicContact CG-CD2 4.12Å; M604-L767 HydrophobicContact CE-CD1 3.82Å; M604-L767 HydrophobicContact SD-CD1 3.85Å; L607-L767 HydrophobicContact CD2-CB 4.48Å; L607-L767 HydrophobicContact CD2-CD1 4.38Å; W763-L767 HydrophobicContact CZ3-CD1 3.85Å; W764-L767 WeakPolarHBondContact O-CB 3.25Å; W764-L767 PolarHBondContact O-N 3.11Å; L765-L767 PolarHBondContact O-N 3.22Å; L765-L767 VanDerWaalsContact O-N 3.08Å; L767-L770 WeakPolarHBondContact O-CB 3.49Å; L767-L770 PolarHBondContact O-N 2.8Å; L767-M771 PolarHBondContact O-N 3.39Å
768	R	91.6	Very high	87.4	Confident	10 Å²	10	35.6 Å²	35.6	4%	0.038	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-45.3	178.7	-67	-75.9	-60.1	173.5	6.6	113	T603 A614 E619 L765 L770 M771 R772	T603-R768 VanDerWaalsContact CG2-CD 3.46Å; T603-R768 HydrophobicContact CG2-CG 4.17Å; T603-R768 WeakPolarHBondContact OG1-CD 3.16Å; T603-R768 PolarHBondContact OG1-NH1 3.33Å; A614-R768 VanDerWaalsContact O-CZ 3.31Å; A614-R768 PolarHBondContact O-NH1 2.92Å; A614-R768 PolarHBondContact O-NH2 2.8Å; E619-R768 IonicContact OE1-CZ 3.65Å; E619-R768 IonicContact OE1-NH2 2.62Å; E619-R768 PolarHBondContact OE1-NH2 2.75Å; E619-R768 IonicContact OE2-CZ 3.48Å; E619-R768 IonicContact OE2-NE 3.4Å; E619-R768 PolarHBondContact OE2-NE 3.4Å; E619-R768 IonicContact OE2-NH2 3.29Å; E619-R768 PolarHBondContact OE2-NH2 3.25Å; L765-R768 HydrophobicContact CD2-CG 4.33Å; L765-R768 VanDerWaalsContact O-CB 3.27Å; L765-R768 WeakPolarHBondContact O-CB 2.97Å; L765-R768 VanDerWaalsContact O-CG 3.25Å; L765-R768 WeakPolarHBondContact O-CG 3.43Å; L765-R768 PolarHBondContact O-N 3.07Å; R768-L770 VanDerWaalsContact C-N 3.31Å; R768-L770 PolarHBondContact O-N 2.95Å; R768-M771 WeakPolarHBondContact O-CB 3.19Å; R768-M771 PolarHBondContact O-N 2.94Å; R768-R772 PolarHBondContact O-N 3.04Å; R768-R772 VanDerWaalsContact O-N 3.16Å
769	P	89.9	Confident	84.9	Confident	16 Å²	16	36.7 Å²	36.7	10%	0.104	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-43.2	175.5	-24.4	35.8	0	0	0	111.8	S766 M771 R772 I773 L780	S766-P769 WeakPolarHBondContact O-CD 3.49Å; P769-M771 VanDerWaalsContact C-N 3.32Å; P769-M771 PolarHBondContact O-N 3.5Å; P769-R772 PolarHBondContact O-N 3.49Å; P769-I773 WeakPolarHBondContact O-CG1 3.39Å; P769-I773 PolarHBondContact O-N 2.61Å; P769-L780 HydrophobicContact CB-CD2 4.33Å
770	L	91.7	Very high	82.8	Confident	19 Å²	19	37.3 Å²	37.3	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-43.2	177.9	176.4	61.2	0	0	0	111.5	M54 R329 A332 L607 L767 R768 R772 I773 M774	M54-L770 HydrophobicContact CE-CD1 3.97Å; R329-L770 HydrophobicContact CG-CD2 4.01Å; A332-L770 HydrophobicContact CB-CD1 3.4Å; A332-L770 VanDerWaalsContact CB-CD1 3.4Å; L607-L770 HydrophobicContact CD1-CG 4.36Å; L607-L770 HydrophobicContact CD2-CD2 4.47Å; L767-L770 WeakPolarHBondContact O-CB 3.49Å; L767-L770 PolarHBondContact O-N 2.8Å; R768-L770 VanDerWaalsContact C-N 3.31Å; R768-L770 PolarHBondContact O-N 2.95Å; L770-R772 PolarHBondContact O-N 3.43Å; L770-I773 PolarHBondContact O-N 2.73Å; L770-M774 HydrophobicContact CD1-CE 4Å; L770-M774 HydrophobicContact CD1-CG 3.94Å; L770-M774 HydrophobicContact CG-CG 4.31Å; L770-M774 WeakPolarHBondContact O-CB 3.29Å; L770-M774 WeakPolarHBondContact O-CG 3.31Å; L770-M774 PolarHBondContact O-N 2.98Å
771	M	92.3	Very high	80.6	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-48	176.1	-174.7	-159.4	75.3	0	0	111.7	A606 L607 A614 L767 R768 P769 M774 A775	A606-M771 HydrophobicContact CB-CG 4.3Å; A606-M771 HydrophobicContact CB-SD 3.54Å; A606-M771 VanDerWaalsContact CB-SD 3.54Å; L607-M771 HydrophobicContact CD1-CB 4.48Å; A614-M771 HydrophobicContact CB-CE 3.92Å; A614-M771 HydrophobicContact CB-SD 3.61Å; L767-M771 PolarHBondContact O-N 3.39Å; R768-M771 WeakPolarHBondContact O-CB 3.19Å; R768-M771 PolarHBondContact O-N 2.94Å; P769-M771 VanDerWaalsContact C-N 3.32Å; P769-M771 PolarHBondContact O-N 3.5Å; M771-M774 PolarHBondContact O-N 2.92Å; M771-A775 PolarHBondContact O-N 3.23Å; M771-A775 VanDerWaalsContact O-N 3.11Å
772	R	89.3	Confident	78.3	Confident	14 Å²	14	33.5 Å²	33.5	5%	0.053	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-43.4	179.2	-72.6	-175.4	171.7	-116.5	-3.3	112.7	E619 R768 P769 L770 M774 A775 K776 H777 S779 L780	E619-R772 IonicContact OE1-CZ 3.58Å; E619-R772 IonicContact OE1-NE 2.8Å; E619-R772 PolarHBondContact OE1-NE 2.9Å; E619-R772 IonicContact OE1-NH2 3.63Å; E619-R772 PolarHBondContact OE1-NH2 2.7Å; R768-R772 PolarHBondContact O-N 3.04Å; R768-R772 VanDerWaalsContact O-N 3.16Å; P769-R772 PolarHBondContact O-N 3.49Å; L770-R772 PolarHBondContact O-N 3.43Å; R772-M774 VanDerWaalsContact C-N 3.3Å; R772-M774 PolarHBondContact O-N 3.02Å; R772-A775 PolarHBondContact O-N 2.9Å; R772-K776 PolarHBondContact O-N 2.89Å; R772-H777 HydrophobicContact CB-CB 4.18Å; R772-H777 PolarHBondContact O-N 3.16Å; R772-H777 VanDerWaalsContact O-N 3.17Å; R772-S779 WeakPolarHBondContact CD-O 3.45Å; R772-S779 PolarHBondContact NH1-O 2.94Å; R772-S779 VanDerWaalsContact NH1-O 3.12Å; R772-S779 PolarHBondContact NH1-OG 3.16Å; R772-L780 HydrophobicContact CB-CD2 4.37Å
773	I	90.9	Very high	75.8	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-49.2	173.4	-66.7	172.9	0	0	0	109.3	V22 M54 Y57 W84 P769 L770 A775 K776 L780	V22-I773 HydrophobicContact CB-CD1 4.24Å; M54-I773 HydrophobicContact CE-CD1 3.9Å; M54-I773 HydrophobicContact CE-CG2 4Å; M54-I773 HydrophobicContact SD-CD1 4.33Å; M54-I773 HydrophobicContact SD-CG2 3.91Å; Y57-I773 HydrophobicContact CD1-CD1 4.38Å; Y57-I773 HydrophobicContact CD1-CG1 4.32Å; Y57-I773 HydrophobicContact CD1-CG2 3.76Å; Y57-I773 HydrophobicContact CD2-CG2 3.95Å; Y57-I773 HydrophobicContact CE1-CD1 4.03Å; Y57-I773 HydrophobicContact CE1-CG1 4Å; Y57-I773 HydrophobicContact CE1-CG2 4.28Å; Y57-I773 HydrophobicContact CE2-CG1 4.29Å; Y57-I773 HydrophobicContact CE2-CG2 4.46Å; Y57-I773 HydrophobicContact CG-CG2 3.58Å; W84-I773 VanDerWaalsContact CH2-O 3.31Å; W84-I773 WeakPolarHBondContact CH2-O 3.32Å; P769-I773 WeakPolarHBondContact O-CG1 3.39Å; P769-I773 PolarHBondContact O-N 2.61Å; L770-I773 PolarHBondContact O-N 2.73Å; I773-A775 PolarHBondContact O-N 2.9Å; I773-A775 VanDerWaalsContact O-N 3.11Å; I773-K776 PolarHBondContact O-N 3.28Å; I773-L780 HydrophobicContact CD1-CD2 4.18Å; I773-L780 HydrophobicContact CG1-CD2 3.63Å
774	M	92.2	Very high	72.9	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-18.6	179.1	-70.8	-61.4	105.6	0	0	113.2	R49 A50 R53 M54 W84 L770 M771 R772	R49-M774 PolarHBondContact NH2-O 3.23Å; A50-M774 HydrophobicContact CB-SD 3.99Å; R53-M774 HydrophobicContact CB-CE 3.72Å; R53-M774 HydrophobicContact CB-SD 3.81Å; R53-M774 VanDerWaalsContact CD-O 3.3Å; R53-M774 WeakPolarHBondContact CD-O 3.44Å; R53-M774 PolarHBondContact NH1-O 3.38Å; M54-M774 HydrophobicContact CB-CE 4.05Å; M54-M774 HydrophobicContact CE-CE 4.45Å; W84-M774 WeakPolarHBondContact CZ2-O 3.49Å; L770-M774 HydrophobicContact CD1-CE 4Å; L770-M774 HydrophobicContact CD1-CG 3.94Å; L770-M774 HydrophobicContact CG-CG 4.31Å; L770-M774 WeakPolarHBondContact O-CB 3.29Å; L770-M774 WeakPolarHBondContact O-CG 3.31Å; L770-M774 PolarHBondContact O-N 2.98Å; M771-M774 PolarHBondContact O-N 2.92Å; R772-M774 VanDerWaalsContact C-N 3.3Å; R772-M774 PolarHBondContact O-N 3.02Å
775	A	87	Confident	70.1	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-93	-9.9	175.3	0	0	0	0	0	113.9	D612 H632 M771 R772 I773	D612-A775 VanDerWaalsContact O-CB 3.25Å; D612-A775 WeakPolarHBondContact O-CB 3.44Å; H632-A775 PolarHBondContact CE1-O 3.45Å; H632-A775 PolarHBondContact NE2-O 3.26Å; M771-A775 PolarHBondContact O-N 3.23Å; M771-A775 VanDerWaalsContact O-N 3.11Å; R772-A775 PolarHBondContact O-N 2.9Å; I773-A775 PolarHBondContact O-N 2.9Å; I773-A775 VanDerWaalsContact O-N 3.11Å
776	K	78.2	Confident	67.3	Low	87 Å²	87	45.1 Å²	45.1	38%	0.378	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	37.2	-172.8	-156.9	-175.2	177.5	-175.1	0	112.9	W84 H632 R772 I773	W84-K776 HydrophobicContact CD2-CB 4.47Å; W84-K776 HydrophobicContact CD2-CD 4.13Å; W84-K776 HydrophobicContact CE3-CD 4.49Å; W84-K776 HydrophobicContact CG-CD 4.42Å; W84-K776 HydrophobicContact CH2-CB 3.75Å; W84-K776 HydrophobicContact CH2-CG 4.31Å; W84-K776 HydrophobicContact CZ2-CB 3.46Å; W84-K776 VanDerWaalsContact CZ2-CB 3.46Å; W84-K776 HydrophobicContact CZ2-CG 4.28Å; W84-K776 HydrophobicContact CZ3-CB 4.36Å; W84-K776 HydrophobicContact CZ3-CG 4.44Å; H632-K776 PolarHBondContact CE1-O 2.87Å; H632-K776 PolarHBondContact ND1-O 3.15Å; R772-K776 PolarHBondContact O-N 2.89Å; I773-K776 PolarHBondContact O-N 3.28Å
777	H	60.6	Low	64.5	Low	8 Å²	8	51.8 Å²	51.8	4%	0.037	26%	0.264	C	S	.	.			trans	-76.2	143.2	166.6	-85.3	-82.9	0	0	0	111.2	D612 D629 H632 R772	D612-H777 PolarHBondContact O-CD2 2.6Å; D612-H777 PolarHBondContact O-NE2 3.49Å; D629-H777 IonicContact OD1-CE1 3.23Å; D629-H777 PolarHBondContact OD1-CE1 2.8Å; D629-H777 IonicContact OD1-ND1 3.17Å; D629-H777 PolarHBondContact OD1-ND1 3.02Å; D629-H777 IonicContact OD1-NE2 3.73Å; H632-H777 AromaticContact CD2-NE2 3.68Å; H632-H777 AromaticContact CG-CE1 3.84Å; H632-H777 AromaticContact CG-NE2 3.93Å; R772-H777 HydrophobicContact CB-CB 4.18Å; R772-H777 PolarHBondContact O-N 3.16Å; R772-H777 VanDerWaalsContact O-N 3.17Å
778	D	50.9	Low	61.5	Low	115 Å²	115	54.6 Å²	54.6	62%	0.615	29%	0.287	S	S	*	.	S	Bend	trans	-86.6	-25.5	175.5	-68.1	-9.6	0	0	0	111.6	R24	R24-D778 IonicContact CZ-OD1 3.8Å; R24-D778 IonicContact NH1-OD1 2.7Å; R24-D778 PolarHBondContact NH1-OD1 3.18Å; R24-D778 IonicContact NH1-OD2 3.68Å; R24-D778 PolarHBondContact NH1-OD2 3.08Å; R24-D778 IonicContact NH2-OD1 3Å
779	S	44.9	Very low	58.5	Low	32 Å²	32	56.7 Å²	56.7	22%	0.224	31%	0.311	C	S	.	.			trans	-89.2	107.9	176.2	50.4	0	0	0	0	111.1	E628 R772	E628-S779 PolarHBondContact OE2-OG 3.19Å; R772-S779 WeakPolarHBondContact CD-O 3.45Å; R772-S779 PolarHBondContact NH1-O 2.94Å; R772-S779 VanDerWaalsContact NH1-O 3.12Å; R772-S779 PolarHBondContact NH1-OG 3.16Å
780	L	49.1	Very low	55.6	Low	31 Å²	31	61.1 Å²	61.1	16%	0.162	34%	0.338	C	S	.	.			trans	-89.6	129	165.1	-69.7	175.4	0	0	0	109	Y21 V22 Y57 P769 R772 I773	Y21-L780 HydrophobicContact CD2-CB 4.5Å; Y21-L780 HydrophobicContact CD2-CD1 3.82Å; Y21-L780 HydrophobicContact CE2-CB 4.32Å; Y21-L780 HydrophobicContact CE2-CD1 3.65Å; V22-L780 WeakPolarHBondContact O-CD1 3.33Å; Y57-L780 WeakPolarHBondContact OH-CD1 3.38Å; P769-L780 HydrophobicContact CB-CD2 4.33Å; R772-L780 HydrophobicContact CB-CD2 4.37Å; I773-L780 HydrophobicContact CD1-CD2 4.18Å; I773-L780 HydrophobicContact CG1-CD2 3.63Å
781	Y	45.7	Very low	52.7	Low	65 Å²	65	67.5 Å²	67.5	26%	0.255	37%	0.372	S	S	.	.			trans	-83.5	126.2	171.9	-86.5	-119.7	0	0	0	109.2	E619 D625	E619-Y781 HydrophobicContact CG-CD1 3.52Å; E619-Y781 HydrophobicContact CG-CE1 3.68Å; E619-Y781 HydrophobicContact CG-CG 4.29Å; D625-Y781 PolarHBondContact OD1-OH 3.36Å; D625-Y781 PolarHBondContact OD2-OH 3.35Å
782	E	40.6	Very low	49.5	Very low	150 Å²	150	78 Å²	78	70%	0.701	41%	0.412	S	S	*	.			trans	-87.1	109.8	166.5	-70.7	-175.5	164.1	0	0	108
783	S	37.3	Very low	46.5	Very low	40 Å²	40	90.9 Å²	90.9	28%	0.28	47%	0.468	S	S	.	.			trans	-79.6	122.7	168.4	93.4	0	0	0	0	108.4	S785 I786	S783-S785 WeakPolarHBondContact CB-OG 3.25Å; S783-S785 PolarHBondContact O-N 3.33Å; S783-S785 VanDerWaalsContact O-N 3.1Å; S783-S785 PolarHBondContact OG-OG 2.71Å; S783-I786 PolarHBondContact O-N 3Å; S783-I786 WeakPolarHBondContact OG-CD1 3.27Å; S783-I786 WeakPolarHBondContact OG-CG1 3.41Å; S783-I786 PolarHBondContact OG-N 3.22Å
784	E	31.4	Very low	44.3	Very low	187 Å²	187	95.3 Å²	95.3	87%	0.874	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-54.6	-27.4	173.4	-76.1	-173.7	155.4	0	0	112.2	I786 M787	E784-I786 PolarHBondContact O-N 3.13Å; E784-M787 PolarHBondContact O-N 3.3Å
785	S	32.8	Very low	41.8	Very low	73 Å²	73	100.1 Å²	100.1	51%	0.51	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-60	-23.6	175.6	29.5	0	0	0	0	114.7	S783 A788	S783-S785 WeakPolarHBondContact CB-OG 3.25Å; S783-S785 PolarHBondContact O-N 3.33Å; S783-S785 VanDerWaalsContact O-N 3.1Å; S783-S785 PolarHBondContact OG-OG 2.71Å; S785-A788 PolarHBondContact O-N 2.97Å
786	I	35.6	Very low	39.3	Very low	55 Å²	55	105.6 Å²	105.6	28%	0.282	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-75.7	-25.3	-178.7	-69.2	157.4	0	0	0	111.7	S783 E784 A788	S783-I786 PolarHBondContact O-N 3Å; S783-I786 WeakPolarHBondContact OG-CD1 3.27Å; S783-I786 WeakPolarHBondContact OG-CG1 3.41Å; S783-I786 PolarHBondContact OG-N 3.22Å; E784-I786 PolarHBondContact O-N 3.13Å; I786-A788 VanDerWaalsContact C-N 3.26Å; I786-A788 PolarHBondContact O-N 3.16Å
787	M	29.4	Very low	37	Very low	171 Å²	171	106.6 Å²	106.6	84%	0.842	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-72.4	-18.1	175.6	-73	-147.6	-159.1	0	0	113.5	E784	E784-M787 PolarHBondContact O-N 3.3Å
788	A	30.5	Very low	35.5	Very low	60 Å²	60	112.8 Å²	112.8	50%	0.496	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-86.5	-12.8	-176.9	0	0	0	0	0	114.3	S785 I786	S785-A788 PolarHBondContact O-N 2.97Å; I786-A788 VanDerWaalsContact C-N 3.26Å; I786-A788 PolarHBondContact O-N 3.16Å
789	G	27.7	Very low	34.5	Very low	53 Å²	53	112.7 Å²	112.7	55%	0.546	58%	0.583	S	S	.	*	S	Bend	trans	-97.1	-11.7	-160	0	0	0	0	0	118.5
790	T	30.1	Very low	33.8	Very low	109 Å²	109	118.4 Å²	118.4	67%	0.669	61%	0.609	S	S	*	*	S	Bend	trans	-117.1	-11.6	-174.5	45.6	0	0	0	0	116.3
791	D	30	Very low	32.6	Very low	153 Å²	153	125.2 Å²	125.2	82%	0.818	64%	0.644	S	S	*	*	S	Bend	trans	-108.3	9	-178.9	-71.5	-17.9	0	0	0	114.4
792	R	25.9	Very low	31.5	Very low	225 Å²	225	130.2 Å²	130.2	85%	0.849	68%	0.676	S	S	*	*			trans	-113.8	71.3	172.8	-73.7	-173.1	176.1	-179.4	1.7	111.7
793	K	26.8	Very low	30.7	Very low	286 Å²	286	128.4 Å²	128.4	100%	1.243	67%	0.674	S	S	*	*			trans	-175.9	0	140.6	-104.9	171.5	-172.3	177.2	0	112.6

Retrieved 793 of 793 residues in 279.4 ms (Link to these results)

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