A0A087YNJ8_POEFO Loading...

Protein phosphatase 1B

AlphaFold DB , UniProt , Accession A0A087YNJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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	38.3	Very low	48.7	Very low	123 Å²	123	55 Å²	55	61%	0.606	27%	0.273	S	S	*	.				0	111	0	-71.9	-54.4	-51.2	0	0	108.7	A3 V5 R49	M1-A3 PolarHBondContact O-N 2.95Å; M1-V5 HydrophobicContact CE-CB 4.43Å; M1-V5 HydrophobicContact CE-CG1 4.34Å; M1-R49 VanDerWaalsContact CE-CD 3.43Å; M1-R49 VanDerWaalsContact CG-NH1 3.35Å; M1-R49 PolarHBondContact SD-NH1 3.32Å
2	P	40.6	Very low	49	Very low	67 Å²	67	51.8 Å²	51.8	44%	0.435	26%	0.259	S	S	.	.			trans	-54	130.3	175.4	-19.1	30.1	0	0	0	108.9	F4 V5	P2-F4 PolarHBondContact O-N 3.29Å; P2-V5 HydrophobicContact CB-CG2 4.28Å; P2-V5 HydrophobicContact CG-CG2 4.32Å; P2-V5 PolarHBondContact O-N 2.97Å; P2-V5 VanDerWaalsContact O-N 3.14Å
3	A	42.4	Very low	48.8	Very low	43 Å²	43	56.3 Å²	56.3	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-25.3	-177.4	0	0	0	0	0	111.8	M1 V5 R6 Q7 Y403	M1-A3 PolarHBondContact O-N 2.95Å; A3-V5 PolarHBondContact O-N 3.37Å; A3-R6 PolarHBondContact O-N 2.89Å; A3-Q7 PolarHBondContact O-N 3.48Å; A3-Y403 WeakPolarHBondContact CB-OH 3.14Å
4	F	48.7	Very low	49	Very low	22 Å²	22	62.1 Å²	62.1	10%	0.096	30%	0.302	C	S	.	.	H	α-helix	trans	-52.8	-48.4	169.9	159.3	-106.7	0	0	0	113.8	P2 R6 Q7 L8 L52 Y315 I399 Y403	P2-F4 PolarHBondContact O-N 3.29Å; F4-R6 VanDerWaalsContact C-N 3.31Å; F4-R6 PolarHBondContact O-N 3.38Å; F4-Q7 WeakPolarHBondContact O-CB 3.36Å; F4-Q7 PolarHBondContact O-N 3.1Å; F4-L8 HydrophobicContact CE2-CD1 3.95Å; F4-L8 HydrophobicContact CZ-CD1 4.29Å; F4-L8 PolarHBondContact O-N 3.14Å; F4-L52 HydrophobicContact CE1-CD1 3.77Å; F4-Y315 AromaticContact CE2-CE1 3.86Å; F4-Y315 HydrophobicContact CE2-CE1 3.86Å; F4-Y315 AromaticContact CZ-CE1 3.63Å; F4-Y315 HydrophobicContact CZ-CE1 3.63Å; F4-I399 HydrophobicContact CD2-CD1 3.36Å; F4-I399 HydrophobicContact CD2-CG1 4.36Å; F4-I399 HydrophobicContact CE2-CD1 3.55Å; F4-I399 HydrophobicContact CG-CD1 4.1Å; F4-I399 HydrophobicContact CZ-CD1 4.43Å; F4-Y403 PolarHBondContact N-OH 2.93Å
5	V	47.6	Very low	48.9	Very low	13 Å²	13	66.2 Å²	66.2	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-41.1	-178.6	-177.8	0	0	0	0	110.2	M1 P2 A3 Q7 V9 R49 L52	M1-V5 HydrophobicContact CE-CB 4.43Å; M1-V5 HydrophobicContact CE-CG1 4.34Å; P2-V5 HydrophobicContact CB-CG2 4.28Å; P2-V5 HydrophobicContact CG-CG2 4.32Å; P2-V5 PolarHBondContact O-N 2.97Å; P2-V5 VanDerWaalsContact O-N 3.14Å; A3-V5 PolarHBondContact O-N 3.37Å; V5-Q7 PolarHBondContact O-N 3.21Å; V5-V9 WeakPolarHBondContact O-CG2 3.5Å; V5-V9 PolarHBondContact O-N 3.42Å; V5-R49 HydrophobicContact CG1-CB 3.83Å; V5-R49 HydrophobicContact CG1-CG 3.83Å; V5-L52 HydrophobicContact CG2-CD1 3.99Å
6	R	46.4	Very low	48.4	Very low	132 Å²	132	64.4 Å²	64.4	50%	0.498	31%	0.307	S	S	.	.	H	α-helix	trans	-65.1	-24.3	177.1	-56.1	-172.1	-145.2	-166.2	8.7	113	A3 F4 K10	A3-R6 PolarHBondContact O-N 2.89Å; F4-R6 VanDerWaalsContact C-N 3.31Å; F4-R6 PolarHBondContact O-N 3.38Å; R6-K10 PolarHBondContact O-N 3.27Å
7	Q	55.1	Low	47.8	Very low	22 Å²	22	63.8 Å²	63.8	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-89.3	-37.9	-176.2	-165.6	-178	-43.7	0	0	112.1	A3 F4 V5 V9 K10 E11 L370 L371	A3-Q7 PolarHBondContact O-N 3.48Å; F4-Q7 WeakPolarHBondContact O-CB 3.36Å; F4-Q7 PolarHBondContact O-N 3.1Å; V5-Q7 PolarHBondContact O-N 3.21Å; Q7-V9 PolarHBondContact O-N 2.95Å; Q7-K10 PolarHBondContact O-N 3.24Å; Q7-K10 VanDerWaalsContact O-N 3.13Å; Q7-E11 PolarHBondContact O-N 3.09Å; Q7-L370 VanDerWaalsContact NE2-C 3.31Å; Q7-L370 VanDerWaalsContact OE1-CB 3.31Å; Q7-L371 HydrophobicContact CG-CB 4.15Å
8	L	54.7	Low	47.3	Very low	5 Å²	5	64.4 Å²	64.4	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-58.3	-35.7	167.8	-149.8	86.2	0	0	0	110.6	F4 E11 T12 P50 W75 L314 Y315	F4-L8 HydrophobicContact CE2-CD1 3.95Å; F4-L8 HydrophobicContact CZ-CD1 4.29Å; F4-L8 PolarHBondContact O-N 3.14Å; L8-E11 PolarHBondContact O-N 3.18Å; L8-T12 VanDerWaalsContact O-CB 3.24Å; L8-T12 WeakPolarHBondContact O-CB 3.44Å; L8-T12 PolarHBondContact O-N 3.29Å; L8-T12 PolarHBondContact O-OG1 3.45Å; L8-P50 HydrophobicContact CD2-CG 4.11Å; L8-W75 HydrophobicContact CB-CZ2 4.18Å; L8-W75 HydrophobicContact CD2-CZ2 3.68Å; L8-W75 HydrophobicContact CG-CZ2 3.97Å; L8-L314 HydrophobicContact CD2-CD1 4.05Å; L8-L314 HydrophobicContact CD2-CD2 3.9Å; L8-L314 HydrophobicContact CD2-CG 3.85Å; L8-Y315 HydrophobicContact CD1-CD1 3.89Å; L8-Y315 HydrophobicContact CD1-CE1 4.16Å
9	V	54.3	Low	46.6	Very low	13 Å²	13	70.3 Å²	70.3	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-50	171.2	177.2	0	0	0	0	112.1	V5 Q7 E11 T12 E13 D48 R49 W75	V5-V9 WeakPolarHBondContact O-CG2 3.5Å; V5-V9 PolarHBondContact O-N 3.42Å; Q7-V9 PolarHBondContact O-N 2.95Å; V9-E11 VanDerWaalsContact C-N 3.31Å; V9-E11 PolarHBondContact O-N 3.36Å; V9-T12 CarbonylContact O-C 3.54Å; V9-T12 PolarHBondContact O-N 3.41Å; V9-E13 HydrophobicContact CG1-CG 4.05Å; V9-E13 WeakPolarHBondContact CG1-OE1 3.08Å; V9-E13 WeakPolarHBondContact O-CB 3.45Å; V9-E13 VanDerWaalsContact O-CG 3.28Å; V9-E13 WeakPolarHBondContact O-CG 3.38Å; V9-E13 PolarHBondContact O-N 3.48Å; V9-D48 VanDerWaalsContact CG1-O 3.26Å; V9-D48 WeakPolarHBondContact CG1-O 3.2Å; V9-D48 WeakPolarHBondContact CG2-O 3.34Å; V9-R49 HydrophobicContact CG2-CB 4.39Å; V9-R49 HydrophobicContact CG2-CG 3.82Å; V9-W75 HydrophobicContact CB-CH2 3.95Å; V9-W75 HydrophobicContact CB-CZ3 4.35Å; V9-W75 HydrophobicContact CG2-CH2 3.41Å; V9-W75 VanDerWaalsContact CG2-CH2 3.41Å; V9-W75 HydrophobicContact CG2-CZ3 3.71Å
10	K	51.8	Low	46	Very low	125 Å²	125	74.3 Å²	74.3	54%	0.543	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-38.5	177.3	-80	-177.4	174.8	-177.8	0	113.1	R6 Q7 K14	R6-K10 PolarHBondContact O-N 3.27Å; Q7-K10 PolarHBondContact O-N 3.24Å; Q7-K10 VanDerWaalsContact O-N 3.13Å; K10-K14 WeakPolarHBondContact O-CB 3.39Å; K10-K14 WeakPolarHBondContact O-CG 3.5Å; K10-K14 PolarHBondContact O-N 2.97Å; K10-K14 VanDerWaalsContact O-N 3.11Å
11	E	56.2	Low	45.7	Very low	40 Å²	40	78.8 Å²	78.8	19%	0.187	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-42.5	175.4	-76.6	-176.7	176.2	0	0	111.6	Q7 L8 V9 K14 R15 L371 R395	Q7-E11 PolarHBondContact O-N 3.09Å; L8-E11 PolarHBondContact O-N 3.18Å; V9-E11 VanDerWaalsContact C-N 3.31Å; V9-E11 PolarHBondContact O-N 3.36Å; E11-K14 PolarHBondContact O-N 3.47Å; E11-R15 WeakPolarHBondContact O-CG 3.46Å; E11-R15 PolarHBondContact O-N 3.08Å; E11-L371 HydrophobicContact CG-CD1 4.01Å; E11-L371 WeakPolarHBondContact OE1-CD1 3.42Å; E11-R395 VanDerWaalsContact CD-NH2 3.34Å; E11-R395 IonicContact OE1-NH2 3.07Å; E11-R395 PolarHBondContact OE1-NH2 2.96Å; E11-R395 IonicContact OE2-CZ 3.93Å; E11-R395 IonicContact OE2-NH1 3.39Å; E11-R395 PolarHBondContact OE2-NH1 3.04Å; E11-R395 IonicContact OE2-NH2 3.55Å; E11-R395 PolarHBondContact OE2-NH2 3.22Å
12	T	51.6	Low	45.4	Very low	17 Å²	17	76.4 Å²	76.4	10%	0.104	39%	0.387	C	S	.	.	H	α-helix	trans	-66.3	-46.2	177.9	-61.6	0	0	0	0	111.5	L8 V9 K14 R15 V16 W75 L319	L8-T12 VanDerWaalsContact O-CB 3.24Å; L8-T12 WeakPolarHBondContact O-CB 3.44Å; L8-T12 PolarHBondContact O-N 3.29Å; L8-T12 PolarHBondContact O-OG1 3.45Å; V9-T12 CarbonylContact O-C 3.54Å; V9-T12 PolarHBondContact O-N 3.41Å; T12-K14 VanDerWaalsContact C-N 3.29Å; T12-K14 PolarHBondContact O-N 3.36Å; T12-R15 PolarHBondContact O-N 3.17Å; T12-V16 HydrophobicContact CG2-CG2 4.04Å; T12-V16 WeakPolarHBondContact O-CB 3.24Å; T12-V16 VanDerWaalsContact O-CG2 3.27Å; T12-V16 WeakPolarHBondContact O-CG2 3.42Å; T12-V16 PolarHBondContact O-N 3.41Å; T12-W75 HydrophobicContact CG2-CD2 4.08Å; T12-W75 HydrophobicContact CG2-CE3 4.13Å; T12-W75 HydrophobicContact CG2-CH2 4.17Å; T12-W75 HydrophobicContact CG2-CZ2 4.07Å; T12-W75 HydrophobicContact CG2-CZ3 4.18Å; T12-W75 WeakPolarHBondContact OG1-CZ2 3.27Å; T12-L319 HydrophobicContact CG2-CD1 4.34Å; T12-L319 HydrophobicContact CG2-CD2 3.37Å
13	E	47	Very low	45.1	Very low	110 Å²	110	76.3 Å²	76.3	51%	0.514	40%	0.399	S	S	.	.	H	α-helix	trans	-56.8	-41.1	173.3	-75.7	175.4	168	0	0	111.6	V9 S17	V9-E13 HydrophobicContact CG1-CG 4.05Å; V9-E13 WeakPolarHBondContact CG1-OE1 3.08Å; V9-E13 WeakPolarHBondContact O-CB 3.45Å; V9-E13 VanDerWaalsContact O-CG 3.28Å; V9-E13 WeakPolarHBondContact O-CG 3.38Å; V9-E13 PolarHBondContact O-N 3.48Å; E13-S17 WeakPolarHBondContact O-CB 3.33Å; E13-S17 PolarHBondContact O-N 2.75Å; E13-S17 PolarHBondContact O-OG 2.78Å
14	K	51.3	Low	44.7	Very low	137 Å²	137	85.4 Å²	85.4	60%	0.596	42%	0.424	S	S	*	.	H	α-helix	trans	-63.7	-42.4	174	-79	178.3	-178.6	-179.4	0	112.1	K10 E11 T12 S17 S18	K10-K14 WeakPolarHBondContact O-CB 3.39Å; K10-K14 WeakPolarHBondContact O-CG 3.5Å; K10-K14 PolarHBondContact O-N 2.97Å; K10-K14 VanDerWaalsContact O-N 3.11Å; E11-K14 PolarHBondContact O-N 3.47Å; T12-K14 VanDerWaalsContact C-N 3.29Å; T12-K14 PolarHBondContact O-N 3.36Å; K14-S17 WeakPolarHBondContact CA-OG 3.42Å; K14-S17 PolarHBondContact O-OG 3.34Å; K14-S17 VanDerWaalsContact O-OG 3.06Å; K14-S18 WeakPolarHBondContact O-CB 3.38Å; K14-S18 PolarHBondContact O-N 3.45Å; K14-S18 PolarHBondContact O-OG 3.05Å
15	R	47.2	Very low	43.8	Very low	124 Å²	124	88.2 Å²	88.2	47%	0.468	46%	0.458	S	S	.	.	H	α-helix	trans	-68.8	-48.2	178.1	-71.8	179.6	-177.6	-164.7	3.9	112	E11 T12 S17 S18 F19 K316	E11-R15 WeakPolarHBondContact O-CG 3.46Å; E11-R15 PolarHBondContact O-N 3.08Å; T12-R15 PolarHBondContact O-N 3.17Å; R15-S17 PolarHBondContact O-N 3.11Å; R15-S18 PolarHBondContact O-N 2.93Å; R15-S18 VanDerWaalsContact O-N 3.17Å; R15-S18 PolarHBondContact O-OG 2.74Å; R15-F19 PolarHBondContact O-N 2.88Å; R15-K316 PolarHBondContact NH1-O 3.37Å
16	V	41.4	Very low	43	Very low	37 Å²	37	91.3 Å²	91.3	22%	0.224	49%	0.493	C	S	.	.	H	α-helix	trans	-59.7	-47.4	176.8	174.2	0	0	0	0	110.7	T12 S18 F19 F20 L319	T12-V16 HydrophobicContact CG2-CG2 4.04Å; T12-V16 WeakPolarHBondContact O-CB 3.24Å; T12-V16 VanDerWaalsContact O-CG2 3.27Å; T12-V16 WeakPolarHBondContact O-CG2 3.42Å; T12-V16 PolarHBondContact O-N 3.41Å; V16-S18 VanDerWaalsContact C-N 3.29Å; V16-S18 PolarHBondContact O-N 3.25Å; V16-F19 PolarHBondContact O-N 2.98Å; V16-F20 HydrophobicContact CG1-CD2 3.71Å; V16-F20 HydrophobicContact CG1-CE2 3.68Å; V16-F20 VanDerWaalsContact O-CD2 3.26Å; V16-F20 WeakPolarHBondContact O-CD2 3.34Å; V16-F20 PolarHBondContact O-N 3.16Å; V16-L319 HydrophobicContact CG2-CD1 3.68Å
17	S	37.2	Very low	42.2	Very low	55 Å²	55	89.8 Å²	89.8	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-30.3	177.3	61.1	0	0	0	0	113.5	E13 K14 R15 K21	E13-S17 WeakPolarHBondContact O-CB 3.33Å; E13-S17 PolarHBondContact O-N 2.75Å; E13-S17 PolarHBondContact O-OG 2.78Å; K14-S17 WeakPolarHBondContact CA-OG 3.42Å; K14-S17 PolarHBondContact O-OG 3.34Å; K14-S17 VanDerWaalsContact O-OG 3.06Å; R15-S17 PolarHBondContact O-N 3.11Å; S17-K21 WeakPolarHBondContact O-CB 3.43Å; S17-K21 VanDerWaalsContact O-CG 3.23Å; S17-K21 WeakPolarHBondContact O-CG 3.4Å; S17-K21 PolarHBondContact O-N 3.2Å
18	S	39	Very low	41	Very low	75 Å²	75	94.2 Å²	94.2	52%	0.524	54%	0.542	S	S	.	.	H	α-helix	trans	-71.7	-38.3	172.7	75.2	0	0	0	0	112.7	K14 R15 V16 K21 G22	K14-S18 WeakPolarHBondContact O-CB 3.38Å; K14-S18 PolarHBondContact O-N 3.45Å; K14-S18 PolarHBondContact O-OG 3.05Å; R15-S18 PolarHBondContact O-N 2.93Å; R15-S18 VanDerWaalsContact O-N 3.17Å; R15-S18 PolarHBondContact O-OG 2.74Å; V16-S18 VanDerWaalsContact C-N 3.29Å; V16-S18 PolarHBondContact O-N 3.25Å; S18-K21 PolarHBondContact O-N 2.82Å; S18-G22 PolarHBondContact O-N 3.38Å; S18-G22 VanDerWaalsContact O-N 3.14Å
19	F	33.8	Very low	40.2	Very low	176 Å²	176	102.2 Å²	102.2	77%	0.772	59%	0.585	S	S	*	*	H	α-helix	trans	-65.7	-42.8	178.6	-157.5	-93.6	0	0	0	111.7	R15 V16 G22	R15-F19 PolarHBondContact O-N 2.88Å; V16-F19 PolarHBondContact O-N 2.98Å; F19-G22 PolarHBondContact O-N 3.32Å
20	F	36.1	Very low	39	Very low	149 Å²	149	105 Å²	105	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-74.7	-23.9	175.8	-76.1	-73.3	0	0	0	114	V16	V16-F20 HydrophobicContact CG1-CD2 3.71Å; V16-F20 HydrophobicContact CG1-CE2 3.68Å; V16-F20 VanDerWaalsContact O-CD2 3.26Å; V16-F20 WeakPolarHBondContact O-CD2 3.34Å; V16-F20 PolarHBondContact O-N 3.16Å
21	K	38.5	Very low	38.4	Very low	170 Å²	170	108.6 Å²	108.6	74%	0.739	64%	0.635	S	S	*	*	H	α-helix	trans	-78.5	-23.1	174.4	-79.6	176.7	179.5	177.5	0	113.4	S17 S18 G23	S17-K21 WeakPolarHBondContact O-CB 3.43Å; S17-K21 VanDerWaalsContact O-CG 3.23Å; S17-K21 WeakPolarHBondContact O-CG 3.4Å; S17-K21 PolarHBondContact O-N 3.2Å; S18-K21 PolarHBondContact O-N 2.82Å; K21-G23 PolarHBondContact O-N 3.01Å
22	G	32.8	Very low	37.2	Very low	72 Å²	72	116 Å²	116	74%	0.742	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-11.2	176.1	0	0	0	0	0	115.2	S18 F19	S18-G22 PolarHBondContact O-N 3.38Å; S18-G22 VanDerWaalsContact O-N 3.14Å; F19-G22 PolarHBondContact O-N 3.32Å
23	G	33.9	Very low	36.6	Very low	66 Å²	66	127.5 Å²	127.5	68%	0.68	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-1.4	-175.2	0	0	0	0	0	116.6	K21	K21-G23 PolarHBondContact O-N 3.01Å
24	R	35	Very low	35.9	Very low	234 Å²	234	125.5 Å²	125.5	88%	0.883	72%	0.72	S	S	*	*			trans	-113.8	77.3	179.5	-74.9	-172.4	178.4	-173.2	0.6	111.5	G26	R24-G26 PolarHBondContact O-N 2.81Å
25	G	29	Very low	35.1	Very low	80 Å²	80	128.1 Å²	128.1	83%	0.825	74%	0.735	S	S	*	*			trans	-77.6	111.5	163.3	0	0	0	0	0	111.3
26	G	30.1	Very low	34.7	Very low	78 Å²	78	126.3 Å²	126.3	80%	0.804	76%	0.755	S	S	*	*			trans	56.4	108.8	147.8	0	0	0	0	0	120.4	R24	R24-G26 PolarHBondContact O-N 2.81Å
27	A	29.7	Very low	34.6	Very low	100 Å²	100	133 Å²	133	83%	0.826	78%	0.784	S	S	*	*			trans	-166.2	125.1	133	0	0	0	0	0	112.2
28	S	31.3	Very low	34.8	Very low	116 Å²	116	140.2 Å²	140.2	81%	0.811	81%	0.808	S	S	*	*			trans	-4.7	142.1	159.3	54	0	0	0	0	122.2
29	D	36.9	Very low	35.2	Very low	172 Å²	172	145.2 Å²	145.2	92%	0.92	82%	0.823	S	S	*	*			trans	-40.8	132.8	162.4	-68.3	-44.1	0	0	0	115
30	G	30.2	Very low	35.7	Very low	73 Å²	73	145.5 Å²	145.5	75%	0.753	83%	0.827	S	S	*	*			trans	-166	98	167.8	0	0	0	0	0	110.3	Q32	G30-Q32 PolarHBondContact O-N 3.1Å
31	E	37.4	Very low	36.6	Very low	199 Å²	199	144.5 Å²	144.5	93%	0.93	83%	0.833	S	S	*	*			trans	-61.8	119.5	172.2	-74.1	-179	138.4	0	0	111
32	Q	31	Very low	37.6	Very low	195 Å²	195	143.5 Å²	143.5	91%	0.911	83%	0.834	S	S	*	*			trans	-143.2	116.4	152.5	-104	175.7	26.6	0	0	110.3	G30 G34	G30-Q32 PolarHBondContact O-N 3.1Å; Q32-G34 PolarHBondContact O-N 3.42Å
33	R	40.2	Very low	39.4	Very low	259 Å²	259	145.3 Å²	145.3	98%	0.977	83%	0.832	S	S	*	*			trans	-70.3	118.8	169.2	-76.5	175.6	170.7	-176.3	-2.9	109.1
34	G	32	Very low	41.7	Very low	68 Å²	68	145.7 Å²	145.7	70%	0.701	83%	0.825	S	S	*	*			trans	-151.3	111.9	173.5	0	0	0	0	0	111.6	Q32	Q32-G34 PolarHBondContact O-N 3.42Å
35	Q	34.1	Very low	44.1	Very low	193 Å²	193	138.1 Å²	138.1	90%	0.902	81%	0.806	S	S	*	*			trans	28.2	116.9	153.7	-61.6	176.7	24.1	0	0	118.8	E37	Q35-E37 PolarHBondContact O-N 3.25Å
36	G	38.4	Very low	47	Very low	86 Å²	86	138.1 Å²	138.1	89%	0.887	78%	0.781	S	S	*	*			trans	-62.7	99.4	176.3	0	0	0	0	0	113
37	E	40.7	Very low	49.9	Very low	178 Å²	178	137.1 Å²	137.1	83%	0.832	76%	0.758	S	S	*	*			trans	-67	128.5	150.6	-68	179.2	163.2	0	0	107.1	Q35 E39	Q35-E37 PolarHBondContact O-N 3.25Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.18Å
38	K	41.3	Very low	52.7	Low	206 Å²	206	139 Å²	139	90%	0.896	75%	0.754	S	S	*	*			trans	-63.9	101.6	166.3	-79.6	178.7	172.5	-179.8	0	105.9	E40	K38-E40 PolarHBondContact O-N 2.69Å
39	E	47	Very low	55.4	Low	179 Å²	179	138.2 Å²	138.2	84%	0.836	73%	0.733	S	S	*	*			trans	-52.2	110.4	166.9	-77.9	179.2	153.6	0	0	107.1	E37 V41	E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.18Å; E39-V41 PolarHBondContact O-N 2.65Å
40	E	44.2	Very low	58.1	Low	182 Å²	182	130.5 Å²	130.5	85%	0.85	69%	0.692	S	S	*	*			trans	-59.6	106	164.9	-83.3	-173.3	160.7	0	0	106.1	K38 I42	K38-E40 PolarHBondContact O-N 2.69Å; E40-I42 VanDerWaalsContact C-N 3.29Å; E40-I42 PolarHBondContact O-N 2.75Å
41	V	54.5	Low	61.2	Low	129 Å²	129	129.3 Å²	129.3	78%	0.782	67%	0.67	S	S	*	*			trans	-66.9	96	174.4	-178.7	0	0	0	0	106.3	E39 P43	E39-V41 PolarHBondContact O-N 2.65Å; V41-P43 VanDerWaalsContact O-CD 3.25Å; V41-P43 WeakPolarHBondContact O-CD 3.44Å
42	I	59.6	Low	63.9	Low	149 Å²	149	122.1 Å²	122.1	76%	0.764	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-60	117.3	169.6	-59.3	174	0	0	0	105.8	E40 S44	E40-I42 VanDerWaalsContact C-N 3.29Å; E40-I42 PolarHBondContact O-N 2.75Å; I42-S44 PolarHBondContact O-N 2.99Å
43	P	71.3	Confident	67.1	Low	109 Å²	109	119.4 Å²	119.4	71%	0.708	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-57.2	133.3	179.2	-21.7	32.3	0	0	0	109.5	V41	V41-P43 VanDerWaalsContact O-CD 3.25Å; V41-P43 WeakPolarHBondContact O-CD 3.44Å
44	S	82.5	Confident	69.8	Low	74 Å²	74	109.9 Å²	109.9	52%	0.517	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-54.6	134.6	172.3	170.5	0	0	0	0	109.2	I42 Y46	I42-S44 PolarHBondContact O-N 2.99Å; S44-Y46 PolarHBondContact O-N 2.91Å; S44-Y46 PolarHBondContact OG-N 3.21Å; S44-Y46 VanDerWaalsContact OG-N 3.08Å; S44-Y46 PolarHBondContact OG-O 3.42Å
45	P	83.8	Confident	72.9	Confident	75 Å²	75	110.6 Å²	110.6	49%	0.487	58%	0.583	S	S	.	*	S	Bend	trans	-68.2	-12.7	172.8	29.8	-34.4	0	0	0	112.1	A77	P45-A77 PolarHBondContact O-N 2.95Å
46	Y	90.7	Very high	76	Confident	80 Å²	80	103.6 Å²	103.6	31%	0.314	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	142	179.5	-50.3	-71	0	0	0	112	S44 W75 L319	S44-Y46 PolarHBondContact O-N 2.91Å; S44-Y46 PolarHBondContact OG-N 3.21Å; S44-Y46 VanDerWaalsContact OG-N 3.08Å; S44-Y46 PolarHBondContact OG-O 3.42Å; Y46-W75 CarbonylContact C-O 3.59Å; Y46-W75 VanDerWaalsContact CA-O 3.25Å; Y46-W75 WeakPolarHBondContact CA-O 3.34Å; Y46-W75 HydrophobicContact CD1-CB 4.28Å; Y46-L319 HydrophobicContact CD1-CB 4.15Å; Y46-L319 HydrophobicContact CE1-CB 3.71Å; Y46-L319 HydrophobicContact CE1-CD1 4.38Å
47	L	90.4	Very high	78.8	Confident	58 Å²	58	103.4 Å²	103.4	30%	0.304	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	156.7	172.2	-63	175.2	0	0	0	111.8	R49 V51 W75 R76 A77	L47-R49 WeakPolarHBondContact CB-O 3.38Å; L47-R49 WeakPolarHBondContact CD1-O 3.44Å; L47-R49 PolarHBondContact O-N 2.9Å; L47-V51 HydrophobicContact CD1-CG2 3.78Å; L47-W75 PolarHBondContact N-O 3.35Å; L47-R76 WeakPolarHBondContact CD1-O 3.34Å; L47-A77 HydrophobicContact CD2-CB 4.27Å
48	D	89.1	Confident	81.4	Confident	140 Å²	140	99.6 Å²	99.6	75%	0.749	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	-18.5	169.5	-66.6	-20.3	0	0	0	112.7	V9	V9-D48 VanDerWaalsContact CG1-O 3.26Å; V9-D48 WeakPolarHBondContact CG1-O 3.2Å; V9-D48 WeakPolarHBondContact CG2-O 3.34Å
49	R	87.7	Confident	84	Confident	98 Å²	98	91 Å²	91	37%	0.37	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.4	179.5	-67.9	-174.1	176.3	145.2	9.1	109.7	M1 V5 V9 L47	M1-R49 VanDerWaalsContact CE-CD 3.43Å; M1-R49 VanDerWaalsContact CG-NH1 3.35Å; M1-R49 PolarHBondContact SD-NH1 3.32Å; V5-R49 HydrophobicContact CG1-CB 3.83Å; V5-R49 HydrophobicContact CG1-CG 3.83Å; V9-R49 HydrophobicContact CG2-CB 4.39Å; V9-R49 HydrophobicContact CG2-CG 3.82Å; L47-R49 WeakPolarHBondContact CB-O 3.38Å; L47-R49 WeakPolarHBondContact CD1-O 3.44Å; L47-R49 PolarHBondContact O-N 2.9Å
50	P	93.1	Very high	86.2	Confident	10 Å²	10	86.6 Å²	86.6	7%	0.065	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.7	177.8	33	-34.3	0	0	0	110.5	L8 L52 G74 W75	L8-P50 HydrophobicContact CD2-CG 4.11Å; P50-L52 HydrophobicContact CB-CD2 3.99Å; P50-L52 HydrophobicContact CG-CD2 3.75Å; P50-L52 HydrophobicContact CG-CG 4.23Å; P50-G74 CarbonylContact C-O 3.51Å; P50-G74 WeakPolarHBondContact CA-O 3.22Å; P50-W75 HydrophobicContact CB-CD2 3.94Å; P50-W75 HydrophobicContact CB-CE3 4.41Å; P50-W75 HydrophobicContact CB-CG 4.15Å; P50-W75 HydrophobicContact CB-CZ2 4.33Å; P50-W75 VanDerWaalsContact CD-CH2 3.47Å; P50-W75 HydrophobicContact CG-CD2 4.35Å; P50-W75 HydrophobicContact CG-CH2 4.14Å; P50-W75 HydrophobicContact CG-CZ2 3.87Å
51	V	96.1	Very high	88.3	Confident	49 Å²	49	78.3 Å²	78.3	30%	0.297	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.7	166.2	177	0	0	0	0	107.4	L47 D53 M72 Q73 G74	L47-V51 HydrophobicContact CD1-CG2 3.78Å; V51-D53 HydrophobicContact CG1-CB 4.44Å; V51-M72 VanDerWaalsContact O-CG 3.3Å; V51-M72 WeakPolarHBondContact O-CG 3.32Å; V51-Q73 HydrophobicContact CB-CB 4.04Å; V51-Q73 HydrophobicContact CB-CG 4.34Å; V51-Q73 HydrophobicContact CG1-CB 4.28Å; V51-G74 PolarHBondContact N-O 2.94Å; V51-G74 PolarHBondContact O-N 3.45Å
52	L	95.3	Very high	89.6	Confident	48 Å²	48	82.7 Å²	82.7	25%	0.251	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-7.1	-171.9	-61.1	-179.8	0	0	0	113.8	F4 V5 P50 K54 M72 L314	F4-L52 HydrophobicContact CE1-CD1 3.77Å; V5-L52 HydrophobicContact CG2-CD1 3.99Å; P50-L52 HydrophobicContact CB-CD2 3.99Å; P50-L52 HydrophobicContact CG-CD2 3.75Å; P50-L52 HydrophobicContact CG-CG 4.23Å; L52-K54 PolarHBondContact O-N 3.37Å; L52-M72 HydrophobicContact CD2-SD 4.14Å; L52-L314 HydrophobicContact CD2-CD2 3.45Å; L52-L314 VanDerWaalsContact CD2-CD2 3.45Å
53	D	97	Very high	90.6	Very high	138 Å²	138	77.7 Å²	77.7	74%	0.738	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	130.6	176	-64.8	-49.2	0	0	0	109.4	V51	V51-D53 HydrophobicContact CG1-CB 4.44Å
54	K	97.1	Very high	91.2	Very high	59 Å²	59	74.3 Å²	74.3	26%	0.257	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.5	-179.2	-64	179.7	179.6	67.3	0	109.1	L52 T56 S71 M72 T307 I310 D311	L52-K54 PolarHBondContact O-N 3.37Å; K54-T56 HydrophobicContact CB-CG2 4.24Å; K54-S71 WeakPolarHBondContact CA-O 3.37Å; K54-M72 HydrophobicContact CG-CB 4.26Å; K54-M72 HydrophobicContact CG-CG 4.42Å; K54-T307 HydrophobicContact CD-CG2 3.7Å; K54-I310 HydrophobicContact CD-CD1 4.45Å; K54-I310 HydrophobicContact CD-CG2 4.45Å; K54-D311 WeakPolarHBondContact CE-OD1 3.45Å; K54-D311 IonicContact NZ-OD1 2.71Å; K54-D311 PolarHBondContact NZ-OD1 3.48Å; K54-D311 IonicContact NZ-OD2 2.75Å
55	L	98.1	Very high	91.7	Very high	82 Å²	82	70.8 Å²	70.8	43%	0.429	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.6	158.5	176.5	70.1	0	0	0	107	G70 S71	L55-G70 CarbonylContact O-C 3.52Å; L55-G70 WeakPolarHBondContact O-CA 3.29Å; L55-S71 PolarHBondContact N-O 2.91Å; L55-S71 PolarHBondContact O-N 3.02Å
56	T	98	Very high	92.4	Very high	47 Å²	47	70 Å²	70	29%	0.288	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.4	173.5	58.9	0	0	0	0	109.9	K54 L69 R303	K54-T56 HydrophobicContact CB-CG2 4.24Å; T56-L69 VanDerWaalsContact CA-O 3.27Å; T56-L69 WeakPolarHBondContact CA-O 3.39Å; T56-R303 HydrophobicContact CG2-CB 4.42Å
57	E	96.6	Very high	92.7	Very high	81 Å²	81	67 Å²	67	38%	0.379	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.5	174.3	-61.5	-176.4	-178.5	0	0	108.8	A68 L69	E57-A68 CarbonylContact O-C 3.5Å; E57-A68 VanDerWaalsContact O-CA 3.23Å; E57-A68 WeakPolarHBondContact O-CA 3.4Å; E57-L69 HydrophobicContact CB-CB 4.27Å; E57-L69 HydrophobicContact CB-CD2 4Å; E57-L69 HydrophobicContact CG-CD2 3.96Å; E57-L69 PolarHBondContact N-O 3.42Å; E57-L69 VanDerWaalsContact N-O 3.14Å; E57-L69 PolarHBondContact O-N 3Å
58	E	96.3	Very high	93.1	Very high	99 Å²	99	64.3 Å²	64.3	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	159.6	171.7	64.5	176.8	162.4	0	0	110.2	Y67 A68 R303	E58-Y67 CarbonylContact C-O 3.52Å; E58-Y67 VanDerWaalsContact CA-O 3.24Å; E58-Y67 WeakPolarHBondContact CA-O 3.45Å; E58-Y67 WeakPolarHBondContact CB-O 3.39Å; E58-A68 HydrophobicContact CB-CB 4.4Å; E58-R303 HydrophobicContact CB-CG 4Å; E58-R303 HydrophobicContact CG-CG 4.38Å; E58-R303 IonicContact OE1-CZ 3.21Å; E58-R303 IonicContact OE1-NE 2.74Å; E58-R303 IonicContact OE1-NH1 3.58Å; E58-R303 IonicContact OE1-NH2 3.97Å; E58-R303 PolarHBondContact OE1-NH2 2.85Å
59	G	95.3	Very high	93.5	Very high	24 Å²	24	57.6 Å²	57.6	25%	0.247	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	-178.7	174.1	0	0	0	0	0	112.5	T66 Y67	G59-T66 WeakPolarHBondContact O-CA 3.48Å; G59-Y67 PolarHBondContact N-O 3.46Å; G59-Y67 WeakPolarHBondContact O-CD1 3.37Å; G59-Y67 PolarHBondContact O-N 3.28Å
60	C	93.8	Very high	94	Very high	88 Å²	88	53 Å²	53	60%	0.595	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.3	179.1	64.1	0	0	0	0	111.6	L65 T66	C60-L65 CarbonylContact C-O 3.5Å; C60-L65 VanDerWaalsContact CA-O 3.24Å; C60-L65 WeakPolarHBondContact CA-O 3.27Å; C60-T66 HydrophobicContact CB-CG2 3.92Å
61	A	88.4	Confident	94.3	Very high	7 Å²	7	53 Å²	53	6%	0.058	28%	0.281	C	S	.	.			trans	-99.6	150.8	167.9	0	0	0	0	0	109.7	W63 G64 L65 P87	A61-W63 HydrophobicContact CB-CG 4.43Å; A61-W63 PolarHBondContact O-N 2.68Å; A61-W63 VanDerWaalsContact O-N 3.11Å; A61-G64 PolarHBondContact O-N 3.38Å; A61-G64 VanDerWaalsContact O-N 3.17Å; A61-L65 HydrophobicContact CB-CB 3.89Å; A61-L65 PolarHBondContact N-O 3.42Å; A61-P87 HydrophobicContact CB-CB 4.35Å; A61-P87 WeakPolarHBondContact CB-O 3.32Å
62	R	81.3	Confident	94.4	Very high	221 Å²	221	50.7 Å²	50.7	83%	0.834	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.4	-178.9	-66.1	-175.6	-175.5	-177.2	-1.1	114.3	G64	R62-G64 VanDerWaalsContact C-N 3.32Å
63	W	80.9	Confident	94.6	Very high	44 Å²	44	50.4 Å²	50.4	17%	0.167	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	13.4	-177.9	57.9	-94.4	0	0	0	113.5	A61 L65 E95 S97 L173	A61-W63 HydrophobicContact CB-CG 4.43Å; A61-W63 PolarHBondContact O-N 2.68Å; A61-W63 VanDerWaalsContact O-N 3.11Å; W63-L65 HydrophobicContact CE3-CB 4.32Å; W63-L65 HydrophobicContact CH2-CB 3.92Å; W63-L65 HydrophobicContact CH2-CD1 4.26Å; W63-L65 HydrophobicContact CH2-CD2 4.01Å; W63-L65 HydrophobicContact CH2-CG 4.3Å; W63-L65 HydrophobicContact CZ2-CB 4.13Å; W63-L65 HydrophobicContact CZ2-CD2 3.99Å; W63-L65 HydrophobicContact CZ3-CB 3.97Å; W63-E95 PolarHBondContact NE1-O 3.07Å; W63-S97 WeakPolarHBondContact CZ2-OG 3.46Å; W63-L173 HydrophobicContact CH2-CB 4.17Å; W63-L173 HydrophobicContact CH2-CD2 4.2Å; W63-L173 HydrophobicContact CZ2-CB 4.21Å
64	G	84.5	Confident	94.6	Very high	38 Å²	38	43.9 Å²	43.9	39%	0.392	23%	0.229	S	C	.	.	S	Bend	trans	96.1	16.5	169.6	0	0	0	0	0	115.4	A61 R62	A61-G64 PolarHBondContact O-N 3.38Å; A61-G64 VanDerWaalsContact O-N 3.17Å; R62-G64 VanDerWaalsContact C-N 3.32Å
65	L	93.3	Very high	94.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.218	C	C	.	.			trans	-88.2	129.7	168.4	-172.5	73.6	0	0	0	109.1	C60 A61 W63 F99 L173 L327 F329	C60-L65 CarbonylContact C-O 3.5Å; C60-L65 VanDerWaalsContact CA-O 3.24Å; C60-L65 WeakPolarHBondContact CA-O 3.27Å; A61-L65 HydrophobicContact CB-CB 3.89Å; A61-L65 PolarHBondContact N-O 3.42Å; W63-L65 HydrophobicContact CE3-CB 4.32Å; W63-L65 HydrophobicContact CH2-CB 3.92Å; W63-L65 HydrophobicContact CH2-CD1 4.26Å; W63-L65 HydrophobicContact CH2-CD2 4.01Å; W63-L65 HydrophobicContact CH2-CG 4.3Å; W63-L65 HydrophobicContact CZ2-CB 4.13Å; W63-L65 HydrophobicContact CZ2-CD2 3.99Å; W63-L65 HydrophobicContact CZ3-CB 3.97Å; L65-F99 HydrophobicContact CD2-CE2 3.63Å; L65-F99 HydrophobicContact CD2-CZ 4.05Å; L65-L173 HydrophobicContact CD1-CD2 4.3Å; L65-L173 HydrophobicContact CD2-CD2 4.32Å; L65-L327 HydrophobicContact CD1-CB 4.29Å; L65-F329 HydrophobicContact CD1-CD1 3.91Å; L65-F329 HydrophobicContact CD1-CE1 3.89Å
66	T	96.5	Very high	94.4	Very high	57 Å²	57	40.6 Å²	40.6	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	153.7	166.5	53.3	0	0	0	0	109.4	G59 C60 L327 C328	G59-T66 WeakPolarHBondContact O-CA 3.48Å; C60-T66 HydrophobicContact CB-CG2 3.92Å; T66-L327 CarbonylContact O-C 3.31Å; T66-L327 WeakPolarHBondContact O-CA 3.35Å; T66-C328 PolarHBondContact N-O 3.15Å; T66-C328 VanDerWaalsContact N-O 3.09Å; T66-C328 PolarHBondContact O-N 3.29Å; T66-C328 WeakPolarHBondContact OG1-CB 3.43Å
67	Y	98.1	Very high	94.2	Very high	19 Å²	19	40.3 Å²	40.3	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.1	174.6	77.2	-82.8	0	0	0	112.4	E58 G59 C85 P87 F99 L326 L327	E58-Y67 CarbonylContact C-O 3.52Å; E58-Y67 VanDerWaalsContact CA-O 3.24Å; E58-Y67 WeakPolarHBondContact CA-O 3.45Å; E58-Y67 WeakPolarHBondContact CB-O 3.39Å; G59-Y67 PolarHBondContact N-O 3.46Å; G59-Y67 WeakPolarHBondContact O-CD1 3.37Å; G59-Y67 PolarHBondContact O-N 3.28Å; Y67-C85 HydrophobicContact CD2-CB 4.34Å; Y67-C85 HydrophobicContact CE2-CB 3.61Å; Y67-P87 HydrophobicContact CD1-CB 4.1Å; Y67-P87 HydrophobicContact CE1-CB 3.71Å; Y67-P87 HydrophobicContact CE1-CG 3.77Å; Y67-F99 AromaticContact CD1-CE1 3.73Å; Y67-F99 HydrophobicContact CD1-CE1 3.73Å; Y67-F99 AromaticContact CD1-CZ 3.89Å; Y67-F99 HydrophobicContact CD1-CZ 3.89Å; Y67-F99 AromaticContact CD2-CE1 3.84Å; Y67-F99 HydrophobicContact CD2-CE1 3.84Å; Y67-F99 HydrophobicContact CE1-CE1 4.11Å; Y67-F99 HydrophobicContact CE1-CZ 4.42Å; Y67-F99 HydrophobicContact CE2-CE1 4.22Å; Y67-F99 AromaticContact CG-CE1 3.58Å; Y67-F99 HydrophobicContact CG-CE1 3.58Å; Y67-F99 HydrophobicContact CG-CZ 4.06Å; Y67-L326 CarbonylContact C-O 3.58Å; Y67-L326 WeakPolarHBondContact CA-O 3.43Å; Y67-L326 WeakPolarHBondContact CB-O 3.3Å; Y67-L327 VanDerWaalsContact CB-CD2 3.41Å; Y67-L327 HydrophobicContact CG-CD2 4.36Å
68	A	98.6	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.3	159.2	0	0	0	0	0	110.8	E57 E58 L302 R303 I325 L326	E57-A68 CarbonylContact O-C 3.5Å; E57-A68 VanDerWaalsContact O-CA 3.23Å; E57-A68 WeakPolarHBondContact O-CA 3.4Å; E58-A68 HydrophobicContact CB-CB 4.4Å; A68-L302 VanDerWaalsContact CB-C 3.47Å; A68-L302 HydrophobicContact CB-CB 3.43Å; A68-L302 VanDerWaalsContact CB-CB 3.43Å; A68-R303 HydrophobicContact CB-CG 4.22Å; A68-I325 CarbonylContact O-C 3.49Å; A68-I325 WeakPolarHBondContact O-CA 3.29Å; A68-L326 PolarHBondContact N-O 2.86Å; A68-L326 PolarHBondContact O-N 3.43Å
69	L	98.1	Very high	94.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.5	173.5	161.6	81.9	0	0	0	107.4	T56 E57 H83 I324 I325	T56-L69 VanDerWaalsContact CA-O 3.27Å; T56-L69 WeakPolarHBondContact CA-O 3.39Å; E57-L69 HydrophobicContact CB-CB 4.27Å; E57-L69 HydrophobicContact CB-CD2 4Å; E57-L69 HydrophobicContact CG-CD2 3.96Å; E57-L69 PolarHBondContact N-O 3.42Å; E57-L69 VanDerWaalsContact N-O 3.14Å; E57-L69 PolarHBondContact O-N 3Å; L69-H83 HydrophobicContact CD1-CB 3.99Å; L69-H83 VanDerWaalsContact CD2-CD2 3.46Å; L69-H83 WeakPolarHBondContact CD2-CD2 3.41Å; L69-H83 VanDerWaalsContact CD2-CE1 3.4Å; L69-H83 WeakPolarHBondContact CD2-CE1 3.33Å; L69-H83 WeakPolarHBondContact CD2-NE2 3.48Å; L69-I324 CarbonylContact C-O 3.6Å; L69-I324 WeakPolarHBondContact CA-O 3.31Å; L69-I325 HydrophobicContact CD1-CG1 3.85Å
70	G	98.6	Very high	94.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141	161	0	0	0	0	0	110.5	L55 I310 S323 I324	L55-G70 CarbonylContact O-C 3.52Å; L55-G70 WeakPolarHBondContact O-CA 3.29Å; G70-I310 VanDerWaalsContact C-CD1 3.49Å; G70-S323 WeakPolarHBondContact O-CA 3.44Å; G70-I324 PolarHBondContact N-O 2.94Å; G70-I324 PolarHBondContact O-N 3.01Å
71	S	98.6	Very high	94.7	Very high	10 Å²	10	34.8 Å²	34.8	7%	0.07	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.2	169.4	70.1	0	0	0	0	112.7	K54 L55 I322 S323	K54-S71 WeakPolarHBondContact CA-O 3.37Å; L55-S71 PolarHBondContact N-O 2.91Å; L55-S71 PolarHBondContact O-N 3.02Å; S71-I322 CarbonylContact C-O 3.49Å; S71-I322 WeakPolarHBondContact CA-O 3.47Å; S71-S323 WeakPolarHBondContact CB-OG 3.4Å
72	M	98.6	Very high	95.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.7	-179	-174.8	-174.6	70.9	0	0	110.4	V51 L52 K54 I310 L314 I322	V51-M72 VanDerWaalsContact O-CG 3.3Å; V51-M72 WeakPolarHBondContact O-CG 3.32Å; L52-M72 HydrophobicContact CD2-SD 4.14Å; K54-M72 HydrophobicContact CG-CB 4.26Å; K54-M72 HydrophobicContact CG-CG 4.42Å; M72-I310 HydrophobicContact CB-CG2 3.62Å; M72-I310 HydrophobicContact CE-CG2 3.56Å; M72-I310 HydrophobicContact CG-CG2 4.26Å; M72-I310 HydrophobicContact SD-CG2 3.67Å; M72-L314 HydrophobicContact CE-CB 4.07Å; M72-L314 HydrophobicContact CE-CD1 3.94Å; M72-L314 HydrophobicContact CE-CD2 4Å; M72-L314 HydrophobicContact CE-CG 4.21Å; M72-L314 HydrophobicContact SD-CD2 4.43Å; M72-I322 HydrophobicContact CE-CD1 3.83Å; M72-I322 HydrophobicContact CE-CG1 4.43Å; M72-I322 PolarHBondContact N-O 2.82Å; M72-I322 PolarHBondContact O-N 3.49Å
73	Q	98.5	Very high	96	Very high	42 Å²	42	28.1 Å²	28.1	20%	0.196	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	-36.4	179	175.8	174.2	-40.2	0	0	112.7	V51 W75 R76 A77 M79 N321	V51-Q73 HydrophobicContact CB-CB 4.04Å; V51-Q73 HydrophobicContact CB-CG 4.34Å; V51-Q73 HydrophobicContact CG1-CB 4.28Å; Q73-W75 PolarHBondContact O-N 3.44Å; Q73-R76 PolarHBondContact NE2-O 2.99Å; Q73-A77 PolarHBondContact NE2-O 3.36Å; Q73-A77 VanDerWaalsContact NE2-O 3.09Å; Q73-M79 HydrophobicContact CB-CB 4.1Å; Q73-M79 HydrophobicContact CB-SD 4.15Å; Q73-M79 HydrophobicContact CG-CB 4.17Å; Q73-N321 PolarHBondContact O-ND2 3.25Å
74	G	96.9	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65	-135	177.9	0	0	0	0	0	111.6	P50 V51	P50-G74 CarbonylContact C-O 3.51Å; P50-G74 WeakPolarHBondContact CA-O 3.22Å; V51-G74 PolarHBondContact N-O 2.94Å; V51-G74 PolarHBondContact O-N 3.45Å
75	W	95.4	Very high	97.5	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.019	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-15.1	-171.4	-68.7	92.6	0	0	0	114.6	L8 V9 T12 Y46 L47 P50 Q73 S318 L319	L8-W75 HydrophobicContact CB-CZ2 4.18Å; L8-W75 HydrophobicContact CD2-CZ2 3.68Å; L8-W75 HydrophobicContact CG-CZ2 3.97Å; V9-W75 HydrophobicContact CB-CH2 3.95Å; V9-W75 HydrophobicContact CB-CZ3 4.35Å; V9-W75 HydrophobicContact CG2-CH2 3.41Å; V9-W75 VanDerWaalsContact CG2-CH2 3.41Å; V9-W75 HydrophobicContact CG2-CZ3 3.71Å; T12-W75 HydrophobicContact CG2-CD2 4.08Å; T12-W75 HydrophobicContact CG2-CE3 4.13Å; T12-W75 HydrophobicContact CG2-CH2 4.17Å; T12-W75 HydrophobicContact CG2-CZ2 4.07Å; T12-W75 HydrophobicContact CG2-CZ3 4.18Å; T12-W75 WeakPolarHBondContact OG1-CZ2 3.27Å; Y46-W75 CarbonylContact C-O 3.59Å; Y46-W75 VanDerWaalsContact CA-O 3.25Å; Y46-W75 WeakPolarHBondContact CA-O 3.34Å; Y46-W75 HydrophobicContact CD1-CB 4.28Å; L47-W75 PolarHBondContact N-O 3.35Å; P50-W75 HydrophobicContact CB-CD2 3.94Å; P50-W75 HydrophobicContact CB-CE3 4.41Å; P50-W75 HydrophobicContact CB-CG 4.15Å; P50-W75 HydrophobicContact CB-CZ2 4.33Å; P50-W75 VanDerWaalsContact CD-CH2 3.47Å; P50-W75 HydrophobicContact CG-CD2 4.35Å; P50-W75 HydrophobicContact CG-CH2 4.14Å; P50-W75 HydrophobicContact CG-CZ2 3.87Å; Q73-W75 PolarHBondContact O-N 3.44Å; W75-S318 VanDerWaalsContact CD1-O 3.27Å; W75-L319 HydrophobicContact CB-CB 4.3Å; W75-L319 HydrophobicContact CB-CD2 4.46Å; W75-L319 WeakPolarHBondContact CB-O 3.48Å; W75-L319 HydrophobicContact CD2-CD2 4.33Å; W75-L319 HydrophobicContact CG-CD2 3.91Å
76	R	95.9	Very high	97.7	Very high	67 Å²	67	28.2 Å²	28.2	25%	0.253	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	148.6	-178.9	-61.2	-59.9	-151	88	5.8	110.9	L47 Q73 N78 L319 D320	L47-R76 WeakPolarHBondContact CD1-O 3.34Å; Q73-R76 PolarHBondContact NE2-O 2.99Å; R76-N78 WeakPolarHBondContact CB-O 3.48Å; R76-N78 PolarHBondContact O-N 3.24Å; R76-L319 WeakPolarHBondContact CD-O 3.39Å; R76-D320 WeakPolarHBondContact CG-OD1 3.42Å; R76-D320 IonicContact CZ-OD1 3.23Å; R76-D320 IonicContact CZ-OD2 2.67Å; R76-D320 IonicContact NE-OD1 3.56Å; R76-D320 PolarHBondContact NE-OD1 3.26Å; R76-D320 IonicContact NE-OD2 2.79Å; R76-D320 PolarHBondContact NE-OD2 2.67Å; R76-D320 IonicContact NH1-OD1 3.41Å; R76-D320 IonicContact NH2-OD1 2.87Å; R76-D320 PolarHBondContact NH2-OD1 2.77Å; R76-D320 IonicContact NH2-OD2 2.85Å; R76-D320 PolarHBondContact NH2-OD2 2.81Å
77	A	94.5	Very high	97.6	Very high	41 Å²	41	26.9 Å²	26.9	34%	0.339	14%	0.141	S	C	.	.	S	Bend	trans	-62.8	-29.6	175.3	0	0	0	0	0	113.3	P45 L47 Q73	P45-A77 PolarHBondContact O-N 2.95Å; L47-A77 HydrophobicContact CD2-CB 4.27Å; Q73-A77 PolarHBondContact NE2-O 3.36Å; Q73-A77 VanDerWaalsContact NE2-O 3.09Å
78	N	96.3	Very high	97.5	Very high	96 Å²	96	29.1 Å²	29.1	51%	0.513	15%	0.152	S	C	.	.	S	Bend	trans	-126.8	155.4	-179.1	-55.6	-47.9	0	0	0	110.5	R76 E80 N321	R76-N78 WeakPolarHBondContact CB-O 3.48Å; R76-N78 PolarHBondContact O-N 3.24Å; N78-E80 HydrophobicContact CB-CG 4Å; N78-N321 PolarHBondContact O-ND2 3.47Å; N78-N321 PolarHBondContact O-OD1 2.69Å
79	M	97.9	Very high	97.3	Very high	51 Å²	51	29.9 Å²	29.9	25%	0.251	16%	0.156	S	C	.	.			trans	-95.5	107.1	163.1	-175.8	62.6	173.7	0	0	108.4	Q73 D81 N321	Q73-M79 HydrophobicContact CB-CB 4.1Å; Q73-M79 HydrophobicContact CB-SD 4.15Å; Q73-M79 HydrophobicContact CG-CB 4.17Å; M79-D81 HydrophobicContact CE-CB 3.57Å; M79-D81 HydrophobicContact SD-CB 4.22Å; M79-N321 WeakPolarHBondContact CA-OD1 3.24Å; M79-N321 HydrophobicContact SD-CB 3.82Å; M79-N321 VanDerWaalsContact SD-CG 3.6Å
80	E	98.4	Very high	97	Very high	22 Å²	22	32.7 Å²	32.7	10%	0.103	19%	0.185	C	C	.	.			trans	-104.7	-10.2	-178.9	-57.1	-167.7	149.3	0	0	112.6	N78 F82 G104 H105 A106 G107 A111 N321	N78-E80 HydrophobicContact CB-CG 4Å; E80-F82 WeakPolarHBondContact O-CD2 3.11Å; E80-G104 VanDerWaalsContact CB-O 3.25Å; E80-G104 WeakPolarHBondContact CB-O 3.36Å; E80-G104 WeakPolarHBondContact O-CA 3.45Å; E80-G104 PolarHBondContact O-N 2.83Å; E80-H105 WeakPolarHBondContact OE2-CA 3.4Å; E80-A106 PolarHBondContact OE2-N 3.34Å; E80-G107 VanDerWaalsContact OE1-CA 3.24Å; E80-G107 WeakPolarHBondContact OE1-CA 3.14Å; E80-G107 PolarHBondContact OE1-N 3.05Å; E80-A111 WeakPolarHBondContact O-CB 3.17Å; E80-N321 PolarHBondContact N-OD1 2.97Å
81	D	98.8	Very high	96.7	Very high	7 Å²	7	36 Å²	36	4%	0.037	22%	0.22	C	C	.	.			trans	-71	142	173.4	-74.1	2	0	0	0	113.4	M79 F102 D103 C276 N321 S323	M79-D81 HydrophobicContact CE-CB 3.57Å; M79-D81 HydrophobicContact SD-CB 4.22Å; D81-F102 CarbonylContact C-O 3.51Å; D81-F102 VanDerWaalsContact CA-O 3.25Å; D81-F102 WeakPolarHBondContact CA-O 3.41Å; D81-D103 WeakPolarHBondContact OD1-CA 3.42Å; D81-C276 PolarHBondContact OD2-SG 3.31Å; D81-N321 HydrophobicContact CB-CB 4.43Å; D81-S323 WeakPolarHBondContact CB-OG 3.15Å; D81-S323 VanDerWaalsContact OD2-CB 3.25Å; D81-S323 WeakPolarHBondContact OD2-CB 3.27Å; D81-S323 PolarHBondContact OD2-N 2.79Å; D81-S323 PolarHBondContact OD2-OG 2.81Å
82	F	98.7	Very high	96.5	Very high	50 Å²	50	43.4 Å²	43.4	22%	0.219	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	169.2	168.6	-73.4	-99.2	0	0	0	110.8	E80 F102 S108 A111 Q112	E80-F82 WeakPolarHBondContact O-CD2 3.11Å; F82-F102 HydrophobicContact CB-CB 4.17Å; F82-F102 HydrophobicContact CB-CD2 4.48Å; F82-F102 PolarHBondContact N-O 2.95Å; F82-F102 PolarHBondContact O-N 3.39Å; F82-S108 WeakPolarHBondContact CE2-O 3.37Å; F82-A111 HydrophobicContact CB-CB 4.42Å; F82-A111 HydrophobicContact CD2-CB 3.59Å; F82-A111 HydrophobicContact CE2-CB 4.35Å; F82-A111 HydrophobicContact CG-CB 4.37Å; F82-Q112 HydrophobicContact CD1-CB 4.09Å; F82-Q112 HydrophobicContact CD1-CG 4.17Å; F82-Q112 HydrophobicContact CD2-CB 4.28Å; F82-Q112 HydrophobicContact CE1-CB 3.7Å; F82-Q112 HydrophobicContact CE1-CG 3.63Å; F82-Q112 HydrophobicContact CE2-CB 3.94Å; F82-Q112 HydrophobicContact CG-CB 4.37Å; F82-Q112 HydrophobicContact CZ-CB 3.62Å; F82-Q112 HydrophobicContact CZ-CG 3.96Å
83	H	98.6	Very high	96.3	Very high	39 Å²	39	44.4 Å²	44.4	18%	0.181	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163.6	176.3	54.6	-87.5	0	0	0	110.1	L69 A100 I325	L69-H83 HydrophobicContact CD1-CB 3.99Å; L69-H83 VanDerWaalsContact CD2-CD2 3.46Å; L69-H83 WeakPolarHBondContact CD2-CD2 3.41Å; L69-H83 VanDerWaalsContact CD2-CE1 3.4Å; L69-H83 WeakPolarHBondContact CD2-CE1 3.33Å; L69-H83 WeakPolarHBondContact CD2-NE2 3.48Å; H83-A100 CarbonylContact C-O 3.55Å; H83-A100 WeakPolarHBondContact CA-O 3.41Å; H83-A100 WeakPolarHBondContact CB-O 3.26Å; H83-I325 HydrophobicContact CB-CD1 4.23Å
84	N	98.3	Very high	96.1	Very high	31 Å²	31	44.1 Å²	44.1	17%	0.166	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	120.1	168.3	-172.8	-9.4	0	0	0	108.8	V86 F98 F99 A100 F102 S115	N84-V86 WeakPolarHBondContact OD1-CG2 3.45Å; N84-F98 HydrophobicContact CB-CE1 4.18Å; N84-F99 CarbonylContact O-C 3.42Å; N84-F99 VanDerWaalsContact O-CA 3.24Å; N84-F99 WeakPolarHBondContact O-CA 3.3Å; N84-A100 PolarHBondContact N-O 2.95Å; N84-A100 PolarHBondContact O-N 3.02Å; N84-F102 HydrophobicContact CB-CE2 4.04Å; N84-S115 PolarHBondContact ND2-O 3.17Å
85	C	98.1	Very high	95.9	Very high	22 Å²	22	49.7 Å²	49.7	15%	0.149	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	101.8	-178.1	-64.2	0	0	0	0	109.2	Y67 P87 F99	Y67-C85 HydrophobicContact CD2-CB 4.34Å; Y67-C85 HydrophobicContact CE2-CB 3.61Å; C85-P87 WeakPolarHBondContact O-CD 3.3Å; C85-F99 HydrophobicContact CB-CD1 3.86Å; C85-F99 HydrophobicContact CB-CE1 3.92Å
86	V	97.6	Very high	96	Very high	32 Å²	32	49.7 Å²	49.7	19%	0.194	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	86.6	176.7	-167.1	0	0	0	0	108.6	N84 Q88 L89 S97 F98 L119	N84-V86 WeakPolarHBondContact OD1-CG2 3.45Å; V86-Q88 PolarHBondContact O-N 3.27Å; V86-L89 HydrophobicContact CB-CD2 4.25Å; V86-L89 HydrophobicContact CG1-CD2 3.64Å; V86-S97 CarbonylContact O-C 3.54Å; V86-S97 VanDerWaalsContact O-CA 3.29Å; V86-S97 WeakPolarHBondContact O-CA 3.45Å; V86-S97 WeakPolarHBondContact O-CB 3.39Å; V86-F98 WeakPolarHBondContact CA-O 3.29Å; V86-F98 HydrophobicContact CB-CB 4.29Å; V86-F98 PolarHBondContact N-O 3.15Å; V86-F98 PolarHBondContact O-N 3.34Å; V86-L119 HydrophobicContact CB-CD2 4.29Å; V86-L119 HydrophobicContact CG2-CD2 3.75Å
87	P	95.6	Very high	96.1	Very high	29 Å²	29	46.5 Å²	46.5	19%	0.188	28%	0.277	C	S	.	.	S	Bend	trans	-64.5	-21.3	-177.4	27	-36.7	0	0	0	113	A61 Y67 C85 S97 F99	A61-P87 HydrophobicContact CB-CB 4.35Å; A61-P87 WeakPolarHBondContact CB-O 3.32Å; Y67-P87 HydrophobicContact CD1-CB 4.1Å; Y67-P87 HydrophobicContact CE1-CB 3.71Å; Y67-P87 HydrophobicContact CE1-CG 3.77Å; C85-P87 WeakPolarHBondContact O-CD 3.3Å; P87-S97 WeakPolarHBondContact O-CB 3.28Å; P87-S97 PolarHBondContact O-OG 2.98Å; P87-F99 HydrophobicContact CB-CZ 4.17Å
88	Q	94.6	Very high	96.3	Very high	66 Å²	66	44.7 Å²	44.7	31%	0.308	26%	0.262	S	S	.	.	S	Bend	trans	-146.1	121.1	178.6	-177.5	160.6	36.6	0	0	110.7	V86 A94 W96	V86-Q88 PolarHBondContact O-N 3.27Å; Q88-A94 WeakPolarHBondContact CG-O 3.36Å; Q88-A94 PolarHBondContact NE2-O 3.23Å; Q88-W96 WeakPolarHBondContact CA-O 3.4Å
89	L	94.9	Very high	96.4	Very high	15 Å²	15	40.1 Å²	40.1	8%	0.079	24%	0.237	C	C	.	.			trans	-76.9	171.9	168.9	-55.6	-175.1	0	0	0	111.1	V86 L93 A94 W96 F98 L119 L123 L172	V86-L89 HydrophobicContact CB-CD2 4.25Å; V86-L89 HydrophobicContact CG1-CD2 3.64Å; L89-L93 HydrophobicContact CB-CB 3.94Å; L89-L93 WeakPolarHBondContact CB-O 3.5Å; L89-L93 HydrophobicContact CD1-CB 4.23Å; L89-L93 HydrophobicContact CD1-CD1 4.2Å; L89-A94 WeakPolarHBondContact O-CA 3.48Å; L89-W96 HydrophobicContact CB-CB 4.36Å; L89-W96 HydrophobicContact CD1-CB 3.69Å; L89-W96 HydrophobicContact CG-CB 4.05Å; L89-W96 PolarHBondContact N-O 3.06Å; L89-F98 HydrophobicContact CD2-CB 4.47Å; L89-L119 HydrophobicContact CD2-CD1 4.43Å; L89-L119 HydrophobicContact CD2-CD2 3.9Å; L89-L123 HydrophobicContact CD1-CD1 4.47Å; L89-L123 HydrophobicContact CD1-CD2 4.2Å; L89-L172 HydrophobicContact CD1-CD1 4.18Å
90	G	92.3	Very high	96.4	Very high	59 Å²	59	37.7 Å²	37.7	61%	0.608	23%	0.225	S	C	*	.			trans	-97.8	169.4	-178.5	0	0	0	0	0	114.4	L93	G90-L93 PolarHBondContact O-N 3.5Å
91	G	92.6	Very high	96.5	Very high	71 Å²	71	36.6 Å²	36.6	73%	0.732	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	63.6	-134.3	170.6	0	0	0	0	0	113.5	L93 A94	G91-L93 PolarHBondContact O-N 3.02Å; G91-A94 WeakPolarHBondContact O-CB 3.35Å; G91-A94 PolarHBondContact O-N 3.42Å
92	E	93.3	Very high	96.5	Very high	165 Å²	165	36.3 Å²	36.3	77%	0.771	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-68.1	-11.6	178.4	-61.1	-175.5	156.7	0	0	113.2	P130	E92-P130 HydrophobicContact CB-CG 4.22Å
93	L	95.4	Very high	96.5	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.115	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-98.5	21.5	177.2	-57.9	178.6	0	0	0	112.2	L89 G90 G91 E95 W96 L123 V128	L89-L93 HydrophobicContact CB-CB 3.94Å; L89-L93 WeakPolarHBondContact CB-O 3.5Å; L89-L93 HydrophobicContact CD1-CB 4.23Å; L89-L93 HydrophobicContact CD1-CD1 4.2Å; G90-L93 PolarHBondContact O-N 3.5Å; G91-L93 PolarHBondContact O-N 3.02Å; L93-E95 PolarHBondContact O-N 3.42Å; L93-W96 HydrophobicContact CB-CB 4.15Å; L93-W96 HydrophobicContact CB-CG 4.08Å; L93-W96 HydrophobicContact CD2-CD2 4.15Å; L93-W96 HydrophobicContact CD2-CG 4.07Å; L93-W96 VanDerWaalsContact O-CB 3.31Å; L93-W96 WeakPolarHBondContact O-CB 3.24Å; L93-W96 PolarHBondContact O-N 2.9Å; L93-L123 HydrophobicContact CD1-CD2 3.84Å; L93-V128 HydrophobicContact CD1-CG1 3.87Å; L93-V128 HydrophobicContact CD2-CG1 4.16Å
94	A	93.4	Very high	96.5	Very high	37 Å²	37	32.9 Å²	32.9	31%	0.306	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-18.3	-177.1	0	0	0	0	0	114.9	Q88 L89 G91	Q88-A94 WeakPolarHBondContact CG-O 3.36Å; Q88-A94 PolarHBondContact NE2-O 3.23Å; L89-A94 WeakPolarHBondContact O-CA 3.48Å; G91-A94 WeakPolarHBondContact O-CB 3.35Å; G91-A94 PolarHBondContact O-N 3.42Å
95	E	93.1	Very high	96.4	Very high	116 Å²	116	33.1 Å²	33.1	54%	0.542	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	18.2	174.7	-60.2	-171.4	124.9	0	0	113.1	W63 L93 P175	W63-E95 PolarHBondContact NE1-O 3.07Å; L93-E95 PolarHBondContact O-N 3.42Å; E95-P175 HydrophobicContact CB-CG 3.85Å
96	W	97.1	Very high	96.3	Very high	6 Å²	6	35.5 Å²	35.5	2%	0.023	23%	0.226	C	C	.	.			trans	-109.5	152.6	175.9	-67	63.4	0	0	0	111	Q88 L89 L93 V128 G129 D132 V137 L172 L173 S174 Y179	Q88-W96 WeakPolarHBondContact CA-O 3.4Å; L89-W96 HydrophobicContact CB-CB 4.36Å; L89-W96 HydrophobicContact CD1-CB 3.69Å; L89-W96 HydrophobicContact CG-CB 4.05Å; L89-W96 PolarHBondContact N-O 3.06Å; L93-W96 HydrophobicContact CB-CB 4.15Å; L93-W96 HydrophobicContact CB-CG 4.08Å; L93-W96 HydrophobicContact CD2-CD2 4.15Å; L93-W96 HydrophobicContact CD2-CG 4.07Å; L93-W96 VanDerWaalsContact O-CB 3.31Å; L93-W96 WeakPolarHBondContact O-CB 3.24Å; L93-W96 PolarHBondContact O-N 2.9Å; W96-V128 HydrophobicContact CD2-CG1 4.46Å; W96-V128 HydrophobicContact CE3-CG1 4.02Å; W96-V128 HydrophobicContact CH2-CG1 4.14Å; W96-V128 HydrophobicContact CZ3-CG1 3.86Å; W96-G129 WeakPolarHBondContact CZ2-O 3.22Å; W96-D132 HydrophobicContact CH2-CB 4.31Å; W96-D132 WeakPolarHBondContact CH2-OD1 3.2Å; W96-D132 HydrophobicContact CZ2-CB 3.85Å; W96-V137 HydrophobicContact CH2-CG2 4.02Å; W96-L172 HydrophobicContact CE3-CD1 4.35Å; W96-L172 HydrophobicContact CE3-CD2 3.63Å; W96-L172 HydrophobicContact CE3-CG 3.69Å; W96-L172 HydrophobicContact CZ3-CD2 3.38Å; W96-L172 HydrophobicContact CZ3-CG 3.87Å; W96-L173 CarbonylContact C-O 3.48Å; W96-L173 WeakPolarHBondContact CA-O 3.23Å; W96-S174 VanDerWaalsContact CH2-CB 3.48Å; W96-S174 VanDerWaalsContact CZ2-CB 3.5Å; W96-Y179 AromaticContact CH2-CE2 3.94Å; W96-Y179 HydrophobicContact CH2-CE2 3.94Å; W96-Y179 HydrophobicContact CZ3-CD2 4.16Å; W96-Y179 AromaticContact CZ3-CE2 3.87Å; W96-Y179 HydrophobicContact CZ3-CE2 3.87Å
97	S	97.9	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153.6	176.6	-46.6	0	0	0	0	110.3	W63 V86 P87 L172 L173	W63-S97 WeakPolarHBondContact CZ2-OG 3.46Å; V86-S97 CarbonylContact O-C 3.54Å; V86-S97 VanDerWaalsContact O-CA 3.29Å; V86-S97 WeakPolarHBondContact O-CA 3.45Å; V86-S97 WeakPolarHBondContact O-CB 3.39Å; P87-S97 WeakPolarHBondContact O-CB 3.28Å; P87-S97 PolarHBondContact O-OG 2.98Å; S97-L172 CarbonylContact O-C 3.51Å; S97-L172 WeakPolarHBondContact O-CA 3.25Å; S97-L173 PolarHBondContact N-O 2.98Å; S97-L173 PolarHBondContact O-N 2.87Å
98	F	98.6	Very high	96.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.5	174.7	177.4	-98	0	0	0	110.1	N84 V86 L89 A100 L118 L119 I122 T171 L172	N84-F98 HydrophobicContact CB-CE1 4.18Å; V86-F98 WeakPolarHBondContact CA-O 3.29Å; V86-F98 HydrophobicContact CB-CB 4.29Å; V86-F98 PolarHBondContact N-O 3.15Å; V86-F98 PolarHBondContact O-N 3.34Å; L89-F98 HydrophobicContact CD2-CB 4.47Å; F98-A100 HydrophobicContact CE1-CB 3.8Å; F98-A100 HydrophobicContact CZ-CB 3.75Å; F98-L118 HydrophobicContact CZ-CD2 4.34Å; F98-L119 HydrophobicContact CB-CD1 3.81Å; F98-L119 HydrophobicContact CB-CD2 3.98Å; F98-L119 HydrophobicContact CB-CG 4.47Å; F98-L119 HydrophobicContact CD1-CB 3.97Å; F98-L119 HydrophobicContact CD1-CD1 4.13Å; F98-L119 HydrophobicContact CD1-CD2 3.91Å; F98-L119 HydrophobicContact CD1-CG 4.22Å; F98-L119 HydrophobicContact CD2-CD1 3.84Å; F98-L119 HydrophobicContact CE1-CB 3.96Å; F98-L119 HydrophobicContact CE2-CD1 4.42Å; F98-L119 HydrophobicContact CG-CB 4.36Å; F98-L119 HydrophobicContact CG-CD1 3.65Å; F98-L119 HydrophobicContact CG-CD2 4.07Å; F98-L119 HydrophobicContact CG-CG 4.23Å; F98-L119 HydrophobicContact CZ-CB 4.34Å; F98-I122 HydrophobicContact CE2-CD1 4.17Å; F98-T171 WeakPolarHBondContact CA-O 3.24Å; F98-T171 WeakPolarHBondContact CD2-O 3.45Å; F98-L172 HydrophobicContact CB-CD1 4.11Å; F98-L172 HydrophobicContact CD2-CD1 4.04Å
99	F	98.8	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.4	174.5	-61.8	-90.7	0	0	0	109.9	L65 Y67 N84 C85 P87 S170 T171 L173 L274 I325 L327	L65-F99 HydrophobicContact CD2-CE2 3.63Å; L65-F99 HydrophobicContact CD2-CZ 4.05Å; Y67-F99 AromaticContact CD1-CE1 3.73Å; Y67-F99 HydrophobicContact CD1-CE1 3.73Å; Y67-F99 AromaticContact CD1-CZ 3.89Å; Y67-F99 HydrophobicContact CD1-CZ 3.89Å; Y67-F99 AromaticContact CD2-CE1 3.84Å; Y67-F99 HydrophobicContact CD2-CE1 3.84Å; Y67-F99 HydrophobicContact CE1-CE1 4.11Å; Y67-F99 HydrophobicContact CE1-CZ 4.42Å; Y67-F99 HydrophobicContact CE2-CE1 4.22Å; Y67-F99 AromaticContact CG-CE1 3.58Å; Y67-F99 HydrophobicContact CG-CE1 3.58Å; Y67-F99 HydrophobicContact CG-CZ 4.06Å; N84-F99 CarbonylContact O-C 3.42Å; N84-F99 VanDerWaalsContact O-CA 3.24Å; N84-F99 WeakPolarHBondContact O-CA 3.3Å; C85-F99 HydrophobicContact CB-CD1 3.86Å; C85-F99 HydrophobicContact CB-CE1 3.92Å; P87-F99 HydrophobicContact CB-CZ 4.17Å; F99-S170 CarbonylContact O-C 3.55Å; F99-S170 VanDerWaalsContact O-CA 3.31Å; F99-S170 WeakPolarHBondContact O-CA 3.37Å; F99-T171 HydrophobicContact CB-CG2 3.89Å; F99-T171 HydrophobicContact CD2-CG2 4.41Å; F99-T171 PolarHBondContact N-O 2.89Å; F99-T171 PolarHBondContact O-N 3.19Å; F99-L173 HydrophobicContact CD2-CD1 3.76Å; F99-L173 HydrophobicContact CE2-CD1 4.16Å; F99-L274 HydrophobicContact CB-CD2 4.4Å; F99-I325 HydrophobicContact CB-CD1 4.34Å; F99-I325 HydrophobicContact CD1-CG2 4.05Å; F99-L327 HydrophobicContact CB-CD1 4.34Å; F99-L327 HydrophobicContact CD1-CD2 3.7Å; F99-L327 HydrophobicContact CD2-CD1 3.71Å; F99-L327 HydrophobicContact CD2-CD2 3.69Å; F99-L327 HydrophobicContact CD2-CG 4.37Å; F99-L327 HydrophobicContact CE1-CD2 3.63Å; F99-L327 HydrophobicContact CE2-CD1 4.19Å; F99-L327 HydrophobicContact CE2-CD2 3.61Å; F99-L327 HydrophobicContact CG-CD1 4.06Å; F99-L327 HydrophobicContact CG-CD2 3.73Å; F99-L327 HydrophobicContact CG-CG 4.47Å; F99-L327 HydrophobicContact CZ-CD2 3.57Å
100	A	98.9	Very high	96.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	146.3	176.7	0	0	0	0	0	112.2	H83 N84 F98 F102 V169 I325	H83-A100 CarbonylContact C-O 3.55Å; H83-A100 WeakPolarHBondContact CA-O 3.41Å; H83-A100 WeakPolarHBondContact CB-O 3.26Å; N84-A100 PolarHBondContact N-O 2.95Å; N84-A100 PolarHBondContact O-N 3.02Å; F98-A100 HydrophobicContact CE1-CB 3.8Å; F98-A100 HydrophobicContact CZ-CB 3.75Å; A100-F102 HydrophobicContact CB-CD2 4.36Å; A100-F102 HydrophobicContact CB-CE2 3.46Å; A100-F102 VanDerWaalsContact CB-CE2 3.46Å; A100-F102 HydrophobicContact CB-CZ 3.59Å; A100-V169 CarbonylContact C-O 3.59Å; A100-V169 WeakPolarHBondContact CA-O 3.38Å; A100-I325 WeakPolarHBondContact O-CD1 3.49Å
101	V	98.9	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.1	168	175.8	0	0	0	0	108	V168 V169 L274 C276 I325	V101-V168 WeakPolarHBondContact O-CA 3.47Å; V101-V169 HydrophobicContact CB-CG1 3.98Å; V101-V169 PolarHBondContact N-O 3.37Å; V101-V169 PolarHBondContact O-N 3.19Å; V101-L274 HydrophobicContact CG2-CB 4.01Å; V101-C276 HydrophobicContact CG1-CB 4.23Å; V101-I325 HydrophobicContact CG2-CD1 3.72Å; V101-I325 HydrophobicContact CG2-CG1 3.88Å
102	F	98.9	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	107.5	-178.2	-56.8	-98	0	0	0	107.7	D81 F82 N84 A100 A111 C114 S115 L118 T167 V168	D81-F102 CarbonylContact C-O 3.51Å; D81-F102 VanDerWaalsContact CA-O 3.25Å; D81-F102 WeakPolarHBondContact CA-O 3.41Å; F82-F102 HydrophobicContact CB-CB 4.17Å; F82-F102 HydrophobicContact CB-CD2 4.48Å; F82-F102 PolarHBondContact N-O 2.95Å; F82-F102 PolarHBondContact O-N 3.39Å; N84-F102 HydrophobicContact CB-CE2 4.04Å; A100-F102 HydrophobicContact CB-CD2 4.36Å; A100-F102 HydrophobicContact CB-CE2 3.46Å; A100-F102 VanDerWaalsContact CB-CE2 3.46Å; A100-F102 HydrophobicContact CB-CZ 3.59Å; F102-A111 HydrophobicContact CB-CB 4.13Å; F102-C114 HydrophobicContact CD1-CB 3.72Å; F102-C114 HydrophobicContact CE1-CB 3.75Å; F102-S115 VanDerWaalsContact CE2-CA 3.49Å; F102-S115 VanDerWaalsContact CZ-CA 3.49Å; F102-L118 HydrophobicContact CE1-CB 4.45Å; F102-L118 HydrophobicContact CE1-CD2 3.89Å; F102-L118 HydrophobicContact CZ-CD2 4.11Å; F102-T167 VanDerWaalsContact CA-O 3.31Å; F102-T167 WeakPolarHBondContact CA-O 3.23Å; F102-V168 HydrophobicContact CD1-CB 4.34Å; F102-V168 HydrophobicContact CD1-CG1 4Å; F102-V168 HydrophobicContact CD1-CG2 3.67Å; F102-V168 HydrophobicContact CE1-CB 4.39Å; F102-V168 HydrophobicContact CE1-CG1 3.66Å; F102-V168 HydrophobicContact CE1-CG2 3.87Å; F102-V168 HydrophobicContact CZ-CG1 4.21Å
103	D	98.8	Very high	97.3	Very high	13 Å²	13	25.4 Å²	25.4	7%	0.07	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.7	175	-172.1	-28	0	0	0	107.9	D81 T166 T167 C276	D81-D103 WeakPolarHBondContact OD1-CA 3.42Å; D103-T166 VanDerWaalsContact C-OG1 3.3Å; D103-T166 CarbonylContact O-C 3.51Å; D103-T166 WeakPolarHBondContact O-CA 3.45Å; D103-T166 WeakPolarHBondContact O-CB 3.33Å; D103-T166 PolarHBondContact O-OG1 2.72Å; D103-T167 HydrophobicContact CB-CG2 4.47Å; D103-T167 VanDerWaalsContact CB-OG1 3.23Å; D103-T167 WeakPolarHBondContact CB-OG1 3.07Å; D103-T167 PolarHBondContact N-O 3.44Å; D103-T167 PolarHBondContact O-N 3.33Å; D103-C276 HydrophobicContact CB-CB 3.99Å; D103-C276 WeakPolarHBondContact OD2-CB 3.32Å
104	G	98.5	Very high	97.4	Very high	4 Å²	4	24.3 Å²	24.3	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	145.5	-175.5	0	0	0	0	0	111.9	E80	E80-G104 VanDerWaalsContact CB-O 3.25Å; E80-G104 WeakPolarHBondContact CB-O 3.36Å; E80-G104 WeakPolarHBondContact O-CA 3.45Å; E80-G104 PolarHBondContact O-N 2.83Å
105	H	97.6	Very high	97.7	Very high	36 Å²	36	23 Å²	23	17%	0.167	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.2	173.2	58.7	-101	0	0	0	112.6	E80 G107 G164 G165 D238	E80-H105 WeakPolarHBondContact OE2-CA 3.4Å; H105-G107 PolarHBondContact O-N 2.94Å; H105-G164 WeakPolarHBondContact O-CA 3.39Å; H105-G165 PolarHBondContact N-O 3.23Å; H105-G165 WeakPolarHBondContact NE2-CA 3.36Å; H105-G165 PolarHBondContact O-N 3.41Å; H105-D238 IonicContact CD2-OD1 2.67Å; H105-D238 IonicContact CE1-OD2 3.47Å; H105-D238 PolarHBondContact CE1-OD2 3.06Å; H105-D238 VanDerWaalsContact CE1-OD2 3.23Å; H105-D238 IonicContact NE2-OD1 3.5Å; H105-D238 PolarHBondContact NE2-OD1 3.48Å; H105-D238 IonicContact NE2-OD2 3.16Å; H105-D238 PolarHBondContact NE2-OD2 2.87Å
106	A	95.6	Very high	97.9	Very high	73 Å²	73	23.3 Å²	23.3	60%	0.603	14%	0.135	S	C	*	.	S	Bend	trans	57.6	38.2	-175.8	0	0	0	0	0	112.7	E80 R163	E80-A106 PolarHBondContact OE2-N 3.34Å; A106-R163 WeakPolarHBondContact CB-O 3.4Å
107	G	94.8	Very high	98	Very high	20 Å²	20	26.4 Å²	26.4	21%	0.206	15%	0.15	C	C	.	.			trans	119.6	147.1	-178.7	0	0	0	0	0	112.8	E80 H105	E80-G107 VanDerWaalsContact OE1-CA 3.24Å; E80-G107 WeakPolarHBondContact OE1-CA 3.14Å; E80-G107 PolarHBondContact OE1-N 3.05Å; H105-G107 PolarHBondContact O-N 2.94Å
108	S	96.5	Very high	98	Very high	43 Å²	43	26.4 Å²	26.4	30%	0.301	15%	0.15	S	C	.	.	S	Bend	trans	-80.8	-13.7	-177.9	47.7	0	0	0	0	115	F82 V110 A111 Q112	F82-S108 WeakPolarHBondContact CE2-O 3.37Å; S108-V110 PolarHBondContact O-N 3.41Å; S108-A111 PolarHBondContact O-N 2.77Å; S108-Q112 WeakPolarHBondContact O-CB 3.23Å; S108-Q112 PolarHBondContact O-N 3.41Å
109	T	97.1	Very high	98	Very high	40 Å²	40	27.3 Å²	27.3	25%	0.245	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-35.1	-168.3	52.7	0	0	0	0	113.4	Y113 W161	T109-Y113 WeakPolarHBondContact O-CB 3.26Å; T109-Y113 PolarHBondContact O-N 3Å; T109-W161 HydrophobicContact CG2-CD2 4.43Å; T109-W161 HydrophobicContact CG2-CZ2 3.98Å
110	V	98.1	Very high	98	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.1	-46.7	178.2	168.9	0	0	0	0	111.1	S108 Q112 Y113 C114 L152 W161 T166	S108-V110 PolarHBondContact O-N 3.41Å; V110-Q112 VanDerWaalsContact C-N 3.34Å; V110-Q112 PolarHBondContact O-N 3.28Å; V110-Y113 PolarHBondContact O-N 2.79Å; V110-C114 WeakPolarHBondContact O-CB 3.4Å; V110-C114 PolarHBondContact O-N 2.89Å; V110-C114 PolarHBondContact O-SG 3.19Å; V110-L152 HydrophobicContact CB-CD2 4.39Å; V110-L152 HydrophobicContact CG1-CD2 3.55Å; V110-L152 HydrophobicContact CG2-CD1 4.35Å; V110-L152 HydrophobicContact CG2-CD2 4.19Å; V110-W161 HydrophobicContact CG2-CB 4.46Å; V110-T166 HydrophobicContact CG1-CG2 3.8Å
111	A	98.6	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60	-43.8	174.3	0	0	0	0	0	111.6	E80 F82 F102 S108 Y113 C114 S115 T166	E80-A111 WeakPolarHBondContact O-CB 3.17Å; F82-A111 HydrophobicContact CB-CB 4.42Å; F82-A111 HydrophobicContact CD2-CB 3.59Å; F82-A111 HydrophobicContact CE2-CB 4.35Å; F82-A111 HydrophobicContact CG-CB 4.37Å; F102-A111 HydrophobicContact CB-CB 4.13Å; S108-A111 PolarHBondContact O-N 2.77Å; A111-Y113 PolarHBondContact O-N 3.41Å; A111-C114 PolarHBondContact O-N 3.09Å; A111-S115 WeakPolarHBondContact O-CB 3.39Å; A111-S115 PolarHBondContact O-N 3.35Å; A111-S115 PolarHBondContact O-OG 2.62Å; A111-T166 WeakPolarHBondContact CB-OG1 3.5Å
112	Q	98.3	Very high	98	Very high	84 Å²	84	30.9 Å²	30.9	39%	0.393	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-46.7	175.5	-171.9	176.7	33	0	0	112.3	F82 S108 V110 S115 Q116	F82-Q112 HydrophobicContact CD1-CB 4.09Å; F82-Q112 HydrophobicContact CD1-CG 4.17Å; F82-Q112 HydrophobicContact CD2-CB 4.28Å; F82-Q112 HydrophobicContact CE1-CB 3.7Å; F82-Q112 HydrophobicContact CE1-CG 3.63Å; F82-Q112 HydrophobicContact CE2-CB 3.94Å; F82-Q112 HydrophobicContact CG-CB 4.37Å; F82-Q112 HydrophobicContact CZ-CB 3.62Å; F82-Q112 HydrophobicContact CZ-CG 3.96Å; S108-Q112 WeakPolarHBondContact O-CB 3.23Å; S108-Q112 PolarHBondContact O-N 3.41Å; V110-Q112 VanDerWaalsContact C-N 3.34Å; V110-Q112 PolarHBondContact O-N 3.28Å; Q112-S115 PolarHBondContact O-OG 2.76Å; Q112-Q116 WeakPolarHBondContact O-CG 3.45Å; Q112-Q116 PolarHBondContact O-N 2.86Å
113	Y	98.1	Very high	98	Very high	37 Å²	37	33.6 Å²	33.6	15%	0.145	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-48	177.5	-179	-87.7	0	0	0	111.1	T109 V110 A111 S115 Q116 H117 T148 L152 V155	T109-Y113 WeakPolarHBondContact O-CB 3.26Å; T109-Y113 PolarHBondContact O-N 3Å; V110-Y113 PolarHBondContact O-N 2.79Å; A111-Y113 PolarHBondContact O-N 3.41Å; Y113-S115 VanDerWaalsContact C-N 3.32Å; Y113-S115 PolarHBondContact O-N 3.07Å; Y113-Q116 PolarHBondContact O-N 2.8Å; Y113-Q116 VanDerWaalsContact O-N 3.17Å; Y113-H117 HydrophobicContact CD1-CB 4.48Å; Y113-H117 AromaticContact CD1-CD2 3.91Å; Y113-H117 AromaticContact CD2-CD2 3.38Å; Y113-H117 WeakPolarHBondContact CD2-CD2 3.22Å; Y113-H117 AromaticContact CD2-NE2 3.73Å; Y113-H117 HydrophobicContact CE1-CB 4.1Å; Y113-H117 AromaticContact CE1-CD2 3.81Å; Y113-H117 AromaticContact CE2-CD2 3.25Å; Y113-H117 WeakPolarHBondContact CE2-CD2 3.35Å; Y113-H117 AromaticContact CE2-NE2 3.46Å; Y113-H117 WeakPolarHBondContact CE2-NE2 3.34Å; Y113-H117 AromaticContact CG-CD2 3.71Å; Y113-H117 AromaticContact CZ-CD2 3.47Å; Y113-H117 VanDerWaalsContact CZ-CD2 3.47Å; Y113-H117 AromaticContact CZ-CG 3.92Å; Y113-H117 PolarHBondContact O-CD2 3.38Å; Y113-H117 PolarHBondContact O-N 3.45Å; Y113-H117 VanDerWaalsContact O-N 3.11Å; Y113-T148 HydrophobicContact CE1-CG2 4.48Å; Y113-L152 HydrophobicContact CD1-CB 4.35Å; Y113-L152 HydrophobicContact CD1-CD1 3.65Å; Y113-L152 HydrophobicContact CE1-CB 4.21Å; Y113-L152 HydrophobicContact CE1-CD1 4.19Å; Y113-L152 HydrophobicContact CG-CD1 3.91Å; Y113-V155 HydrophobicContact CE2-CG2 4.34Å
114	C	98.6	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-39.9	-177.8	-64.9	0	0	0	0	111.7	F102 V110 A111 Q116 H117 L118 T166 L236	F102-C114 HydrophobicContact CD1-CB 3.72Å; F102-C114 HydrophobicContact CE1-CB 3.75Å; V110-C114 WeakPolarHBondContact O-CB 3.4Å; V110-C114 PolarHBondContact O-N 2.89Å; V110-C114 PolarHBondContact O-SG 3.19Å; A111-C114 PolarHBondContact O-N 3.09Å; C114-Q116 PolarHBondContact O-N 2.92Å; C114-H117 PolarHBondContact O-N 3.16Å; C114-L118 WeakPolarHBondContact O-CB 3.39Å; C114-L118 PolarHBondContact O-N 2.98Å; C114-T166 HydrophobicContact CB-CG2 4.02Å; C114-L236 HydrophobicContact CB-CD1 4.09Å; C114-L236 VanDerWaalsContact SG-CD1 3.58Å
115	S	98.5	Very high	97.9	Very high	8 Å²	8	37.9 Å²	37.9	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-31.3	177.4	67.7	0	0	0	0	113.3	N84 F102 A111 Q112 Y113	N84-S115 PolarHBondContact ND2-O 3.17Å; F102-S115 VanDerWaalsContact CE2-CA 3.49Å; F102-S115 VanDerWaalsContact CZ-CA 3.49Å; A111-S115 WeakPolarHBondContact O-CB 3.39Å; A111-S115 PolarHBondContact O-N 3.35Å; A111-S115 PolarHBondContact O-OG 2.62Å; Q112-S115 PolarHBondContact O-OG 2.76Å; Y113-S115 VanDerWaalsContact C-N 3.32Å; Y113-S115 PolarHBondContact O-N 3.07Å
116	Q	98.2	Very high	97.8	Very high	124 Å²	124	39 Å²	39	58%	0.579	26%	0.258	S	S	*	.	H	α-helix	trans	-86.9	-26.5	-179.8	-65.4	173.9	9.5	0	0	113.8	Q112 Y113 C114	Q112-Q116 WeakPolarHBondContact O-CG 3.45Å; Q112-Q116 PolarHBondContact O-N 2.86Å; Y113-Q116 PolarHBondContact O-N 2.8Å; Y113-Q116 VanDerWaalsContact O-N 3.17Å; C114-Q116 PolarHBondContact O-N 2.92Å
117	H	98.4	Very high	97.9	Very high	71 Å²	71	36.2 Å²	36.2	33%	0.329	24%	0.236	S	C	.	.	H	α-helix	trans	-114.2	-25.3	-167.2	-67.7	-67.1	0	0	0	115.2	Y113 C114 L119 G120 H121	Y113-H117 HydrophobicContact CD1-CB 4.48Å; Y113-H117 AromaticContact CD1-CD2 3.91Å; Y113-H117 AromaticContact CD2-CD2 3.38Å; Y113-H117 WeakPolarHBondContact CD2-CD2 3.22Å; Y113-H117 AromaticContact CD2-NE2 3.73Å; Y113-H117 HydrophobicContact CE1-CB 4.1Å; Y113-H117 AromaticContact CE1-CD2 3.81Å; Y113-H117 AromaticContact CE2-CD2 3.25Å; Y113-H117 WeakPolarHBondContact CE2-CD2 3.35Å; Y113-H117 AromaticContact CE2-NE2 3.46Å; Y113-H117 WeakPolarHBondContact CE2-NE2 3.34Å; Y113-H117 AromaticContact CG-CD2 3.71Å; Y113-H117 AromaticContact CZ-CD2 3.47Å; Y113-H117 VanDerWaalsContact CZ-CD2 3.47Å; Y113-H117 AromaticContact CZ-CG 3.92Å; Y113-H117 PolarHBondContact O-CD2 3.38Å; Y113-H117 PolarHBondContact O-N 3.45Å; Y113-H117 VanDerWaalsContact O-N 3.11Å; C114-H117 PolarHBondContact O-N 3.16Å; H117-L119 PolarHBondContact O-N 3.12Å; H117-G120 PolarHBondContact O-N 3.41Å; H117-G120 VanDerWaalsContact O-N 3.1Å; H117-H121 PolarHBondContact O-N 3.44Å; H117-H121 VanDerWaalsContact O-N 3.07Å; H117-H121 PolarHBondContact O-ND1 2.86Å
118	L	98.8	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-50.4	-172.2	176.9	60.2	0	0	0	112.7	F98 F102 C114 G120 H121 I122 F145 T148 V168	F98-L118 HydrophobicContact CZ-CD2 4.34Å; F102-L118 HydrophobicContact CE1-CB 4.45Å; F102-L118 HydrophobicContact CE1-CD2 3.89Å; F102-L118 HydrophobicContact CZ-CD2 4.11Å; C114-L118 WeakPolarHBondContact O-CB 3.39Å; C114-L118 PolarHBondContact O-N 2.98Å; L118-G120 VanDerWaalsContact C-N 3.26Å; L118-G120 PolarHBondContact O-N 3.19Å; L118-H121 PolarHBondContact O-N 3.38Å; L118-H121 VanDerWaalsContact O-N 3.15Å; L118-I122 HydrophobicContact CD1-CD1 4.03Å; L118-I122 HydrophobicContact CD1-CG1 4.23Å; L118-I122 HydrophobicContact CG-CD1 3.92Å; L118-I122 WeakPolarHBondContact O-CG1 3.24Å; L118-I122 PolarHBondContact O-N 3.14Å; L118-F145 HydrophobicContact CD1-CD2 3.66Å; L118-F145 HydrophobicContact CD1-CE2 3.91Å; L118-F145 HydrophobicContact CD1-CG 4.1Å; L118-F145 HydrophobicContact CD2-CD2 4.42Å; L118-F145 HydrophobicContact CD2-CE2 3.82Å; L118-F145 HydrophobicContact CD2-CZ 3.87Å; L118-F145 HydrophobicContact CG-CE2 4.35Å; L118-T148 WeakPolarHBondContact CD1-OG1 3.33Å; L118-V168 HydrophobicContact CD2-CG1 3.71Å
119	L	98.8	Very high	97.9	Very high	20 Å²	20	34.2 Å²	34.2	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-41.4	178.2	176.6	59.5	0	0	0	111.7	V86 L89 F98 H117 H121 I122 L123 L172	V86-L119 HydrophobicContact CB-CD2 4.29Å; V86-L119 HydrophobicContact CG2-CD2 3.75Å; L89-L119 HydrophobicContact CD2-CD1 4.43Å; L89-L119 HydrophobicContact CD2-CD2 3.9Å; F98-L119 HydrophobicContact CB-CD1 3.81Å; F98-L119 HydrophobicContact CB-CD2 3.98Å; F98-L119 HydrophobicContact CB-CG 4.47Å; F98-L119 HydrophobicContact CD1-CB 3.97Å; F98-L119 HydrophobicContact CD1-CD1 4.13Å; F98-L119 HydrophobicContact CD1-CD2 3.91Å; F98-L119 HydrophobicContact CD1-CG 4.22Å; F98-L119 HydrophobicContact CD2-CD1 3.84Å; F98-L119 HydrophobicContact CE1-CB 3.96Å; F98-L119 HydrophobicContact CE2-CD1 4.42Å; F98-L119 HydrophobicContact CG-CB 4.36Å; F98-L119 HydrophobicContact CG-CD1 3.65Å; F98-L119 HydrophobicContact CG-CD2 4.07Å; F98-L119 HydrophobicContact CG-CG 4.23Å; F98-L119 HydrophobicContact CZ-CB 4.34Å; H117-L119 PolarHBondContact O-N 3.12Å; L119-H121 VanDerWaalsContact C-N 3.35Å; L119-H121 PolarHBondContact O-N 2.67Å; L119-I122 PolarHBondContact O-N 2.87Å; L119-L123 HydrophobicContact CD1-CD1 3.87Å; L119-L123 HydrophobicContact CD1-CD2 4.34Å; L119-L123 HydrophobicContact CD1-CG 3.85Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 HydrophobicContact CG-CG 4.33Å; L119-L123 WeakPolarHBondContact O-CG 3.35Å; L119-L123 PolarHBondContact O-N 3.45Å; L119-L172 HydrophobicContact CD1-CD1 4.42Å
120	G	98.5	Very high	97.7	Very high	48 Å²	48	35.9 Å²	35.9	50%	0.495	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-41.9	177.8	0	0	0	0	0	112.6	H117 L118 G124	H117-G120 PolarHBondContact O-N 3.41Å; H117-G120 VanDerWaalsContact O-N 3.1Å; L118-G120 VanDerWaalsContact C-N 3.26Å; L118-G120 PolarHBondContact O-N 3.19Å; G120-G124 PolarHBondContact O-N 2.91Å
121	H	98.8	Very high	97.5	Very high	26 Å²	26	40.6 Å²	40.6	12%	0.12	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-42	175.3	-65.3	135.5	0	0	0	112.2	H117 L118 L119 G124 T125 Q147 T148 H151	H117-H121 PolarHBondContact O-N 3.44Å; H117-H121 VanDerWaalsContact O-N 3.07Å; H117-H121 PolarHBondContact O-ND1 2.86Å; L118-H121 PolarHBondContact O-N 3.38Å; L118-H121 VanDerWaalsContact O-N 3.15Å; L119-H121 VanDerWaalsContact C-N 3.35Å; L119-H121 PolarHBondContact O-N 2.67Å; H121-G124 PolarHBondContact O-N 3.11Å; H121-T125 WeakPolarHBondContact O-CG2 3.49Å; H121-T125 PolarHBondContact O-N 3.25Å; H121-Q147 HydrophobicContact CB-CB 4.28Å; H121-T148 WeakPolarHBondContact ND1-CA 3.5Å; H121-T148 PolarHBondContact ND1-OG1 2.8Å; H121-H151 AromaticContact CD2-ND1 3.87Å; H121-H151 AromaticContact CE1-ND1 3.61Å; H121-H151 AromaticContact NE2-CE1 3.71Å; H121-H151 AromaticContact NE2-ND1 2.94Å; H121-H151 PolarHBondContact NE2-ND1 3.44Å
122	I	98.8	Very high	97.4	Very high	2 Å²	2	41 Å²	41	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-58.8	-51.3	176.3	-65.9	170.2	0	0	0	110.5	F98 L118 L119 G124 T125 V128 A140 I141 F145	F98-I122 HydrophobicContact CE2-CD1 4.17Å; L118-I122 HydrophobicContact CD1-CD1 4.03Å; L118-I122 HydrophobicContact CD1-CG1 4.23Å; L118-I122 HydrophobicContact CG-CD1 3.92Å; L118-I122 WeakPolarHBondContact O-CG1 3.24Å; L118-I122 PolarHBondContact O-N 3.14Å; L119-I122 PolarHBondContact O-N 2.87Å; I122-G124 VanDerWaalsContact C-N 3.33Å; I122-G124 PolarHBondContact O-N 2.86Å; I122-T125 WeakPolarHBondContact O-CB 3.29Å; I122-T125 WeakPolarHBondContact O-CG2 3.25Å; I122-T125 PolarHBondContact O-N 3.03Å; I122-T125 PolarHBondContact O-OG1 2.87Å; I122-V128 HydrophobicContact CG2-CG2 3.95Å; I122-A140 HydrophobicContact CG2-CB 4.43Å; I122-I141 HydrophobicContact CG2-CG1 4.24Å; I122-F145 HydrophobicContact CD1-CE2 4.43Å
123	L	98.3	Very high	97.4	Very high	57 Å²	57	40 Å²	40	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-35.7	179.6	-63.6	179.8	0	0	0	112.1	L89 L93 L119 T125 G126 V128	L89-L123 HydrophobicContact CD1-CD1 4.47Å; L89-L123 HydrophobicContact CD1-CD2 4.2Å; L93-L123 HydrophobicContact CD1-CD2 3.84Å; L119-L123 HydrophobicContact CD1-CD1 3.87Å; L119-L123 HydrophobicContact CD1-CD2 4.34Å; L119-L123 HydrophobicContact CD1-CG 3.85Å; L119-L123 HydrophobicContact CG-CD1 3.99Å; L119-L123 HydrophobicContact CG-CG 4.33Å; L119-L123 WeakPolarHBondContact O-CG 3.35Å; L119-L123 PolarHBondContact O-N 3.45Å; L123-T125 PolarHBondContact O-N 3.32Å; L123-G126 PolarHBondContact O-N 3.02Å; L123-G126 VanDerWaalsContact O-N 3.09Å; L123-V128 HydrophobicContact CD2-CB 3.98Å; L123-V128 HydrophobicContact CD2-CG1 3.99Å; L123-V128 HydrophobicContact CD2-CG2 4.28Å
124	G	97.9	Very high	97.4	Very high	63 Å²	63	39.8 Å²	39.8	65%	0.649	26%	0.256	S	S	*	.	H	α-helix	trans	-63.3	-17.3	178.5	0	0	0	0	0	114.6	G120 H121 I122 G126	G120-G124 PolarHBondContact O-N 2.91Å; H121-G124 PolarHBondContact O-N 3.11Å; I122-G124 VanDerWaalsContact C-N 3.33Å; I122-G124 PolarHBondContact O-N 2.86Å; G124-G126 PolarHBondContact O-N 3.44Å
125	T	97.8	Very high	97.4	Very high	44 Å²	44	45.8 Å²	45.8	27%	0.27	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23	173.1	68.9	0	0	0	0	113.3	H121 I122 L123 G127 A140 E143	H121-T125 WeakPolarHBondContact O-CG2 3.49Å; H121-T125 PolarHBondContact O-N 3.25Å; I122-T125 WeakPolarHBondContact O-CB 3.29Å; I122-T125 WeakPolarHBondContact O-CG2 3.25Å; I122-T125 PolarHBondContact O-N 3.03Å; I122-T125 PolarHBondContact O-OG1 2.87Å; L123-T125 PolarHBondContact O-N 3.32Å; T125-G127 PolarHBondContact O-N 2.83Å; T125-G127 PolarHBondContact OG1-N 2.96Å; T125-A140 HydrophobicContact CG2-CB 4.47Å; T125-A140 WeakPolarHBondContact OG1-CB 3.27Å; T125-E143 HydrophobicContact CG2-CB 3.96Å; T125-E143 HydrophobicContact CG2-CG 3.79Å
126	G	96.5	Very high	97.4	Very high	60 Å²	60	50.5 Å²	50.5	62%	0.619	30%	0.303	S	S	*	.	S	Bend	trans	70.8	8.7	-172.8	0	0	0	0	0	114.8	L123 G124	L123-G126 PolarHBondContact O-N 3.02Å; L123-G126 VanDerWaalsContact O-N 3.09Å; G124-G126 PolarHBondContact O-N 3.44Å
127	G	96.8	Very high	97.4	Very high	13 Å²	13	44.7 Å²	44.7	13%	0.134	28%	0.276	C	S	.	.			trans	-86.4	-11.9	176.5	0	0	0	0	0	114.4	T125 K136	T125-G127 PolarHBondContact O-N 2.83Å; T125-G127 PolarHBondContact OG1-N 2.96Å; G127-K136 CarbonylContact O-C 3.5Å; G127-K136 WeakPolarHBondContact O-CB 3.14Å
128	V	97.7	Very high	97.5	Very high	13 Å²	13	44 Å²	44	8%	0.079	27%	0.272	C	S	.	.			trans	-95.3	119.3	171.4	-175.8	0	0	0	0	108.9	L93 W96 I122 L123 V137 A140 L172	L93-V128 HydrophobicContact CD1-CG1 3.87Å; L93-V128 HydrophobicContact CD2-CG1 4.16Å; W96-V128 HydrophobicContact CD2-CG1 4.46Å; W96-V128 HydrophobicContact CE3-CG1 4.02Å; W96-V128 HydrophobicContact CH2-CG1 4.14Å; W96-V128 HydrophobicContact CZ3-CG1 3.86Å; I122-V128 HydrophobicContact CG2-CG2 3.95Å; L123-V128 HydrophobicContact CD2-CB 3.98Å; L123-V128 HydrophobicContact CD2-CG1 3.99Å; L123-V128 HydrophobicContact CD2-CG2 4.28Å; V128-V137 HydrophobicContact CG2-CG1 4.39Å; V128-A140 HydrophobicContact CG2-CB 3.89Å; V128-L172 HydrophobicContact CG1-CD2 3.81Å; V128-L172 HydrophobicContact CG2-CD2 3.88Å
129	G	94.3	Very high	97.5	Very high	8 Å²	8	45.8 Å²	45.8	8%	0.082	29%	0.29	C	S	.	.			trans	-154.8	167.8	-175.7	0	0	0	0	0	112.2	W96 E131 D132	W96-G129 WeakPolarHBondContact CZ2-O 3.22Å; G129-E131 VanDerWaalsContact CA-OE2 3.26Å; G129-E131 WeakPolarHBondContact CA-OE2 3.43Å; G129-E131 PolarHBondContact O-N 3.18Å; G129-E131 VanDerWaalsContact O-N 3.11Å; G129-D132 PolarHBondContact O-N 2.86Å
130	P	92.1	Very high	97.5	Very high	75 Å²	75	44.9 Å²	44.9	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.7	-177.7	28.8	-36.4	0	0	0	113.3	E92 D132	E92-P130 HydrophobicContact CB-CG 4.22Å; P130-D132 PolarHBondContact O-N 3.01Å
131	E	94.8	Very high	97.5	Very high	99 Å²	99	42.8 Å²	42.8	46%	0.463	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.2	171.9	72	-94.7	-139	0	0	113.6	G129 N133 K136	G129-E131 VanDerWaalsContact CA-OE2 3.26Å; G129-E131 WeakPolarHBondContact CA-OE2 3.43Å; G129-E131 PolarHBondContact O-N 3.18Å; G129-E131 VanDerWaalsContact O-N 3.11Å; E131-N133 VanDerWaalsContact C-N 3.26Å; E131-N133 HydrophobicContact CG-CB 3.93Å; E131-N133 PolarHBondContact O-N 3.38Å; E131-K136 IonicContact OE1-NZ 3.02Å; E131-K136 PolarHBondContact OE1-NZ 3.09Å
132	D	96.4	Very high	97.5	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	27%	0.272	C	S	.	.			trans	48.4	46.1	178.4	-162.6	8.9	0	0	0	113.1	W96 G129 P130 P134 S174 Y176 Y177 Y179	W96-D132 HydrophobicContact CH2-CB 4.31Å; W96-D132 WeakPolarHBondContact CH2-OD1 3.2Å; W96-D132 HydrophobicContact CZ2-CB 3.85Å; G129-D132 PolarHBondContact O-N 2.86Å; P130-D132 PolarHBondContact O-N 3.01Å; D132-P134 VanDerWaalsContact O-CD 3.26Å; D132-P134 WeakPolarHBondContact O-CD 3.31Å; D132-S174 VanDerWaalsContact CG-OG 3.23Å; D132-S174 PolarHBondContact OD1-OG 3.46Å; D132-S174 WeakPolarHBondContact OD2-CB 3.13Å; D132-S174 PolarHBondContact OD2-OG 2.95Å; D132-Y176 HydrophobicContact CB-CD2 4.35Å; D132-Y176 WeakPolarHBondContact OD2-CD2 3.24Å; D132-Y177 WeakPolarHBondContact OD2-CD2 3.42Å; D132-Y179 WeakPolarHBondContact OD1-CE2 3.37Å; D132-Y179 PolarHBondContact OD1-OH 3.39Å
133	N	97.9	Very high	97.5	Very high	65 Å²	65	48.5 Å²	48.5	35%	0.348	29%	0.291	S	S	.	.			trans	-79.9	115.8	-178.7	-177.9	-73.4	0	0	0	110.5	E131 E135 K136 V137	E131-N133 VanDerWaalsContact C-N 3.26Å; E131-N133 HydrophobicContact CG-CB 3.93Å; E131-N133 PolarHBondContact O-N 3.38Å; N133-E135 VanDerWaalsContact C-N 3.32Å; N133-E135 PolarHBondContact O-N 2.92Å; N133-E135 PolarHBondContact OD1-N 2.92Å; N133-K136 HydrophobicContact CB-CB 4.2Å; N133-K136 HydrophobicContact CB-CD 4.15Å; N133-K136 HydrophobicContact CB-CG 4.12Å; N133-K136 PolarHBondContact O-N 3.1Å; N133-K136 PolarHBondContact OD1-N 3.3Å; N133-K136 VanDerWaalsContact OD1-N 3.12Å; N133-V137 WeakPolarHBondContact O-CG2 3.29Å; N133-V137 PolarHBondContact O-N 3.39Å
134	P	98.3	Very high	97.5	Very high	32 Å²	32	45.8 Å²	45.8	21%	0.208	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-35.6	-170.4	-29.1	37.9	0	0	0	115	D132 V137 K138 Y177 Y179 V262	D132-P134 VanDerWaalsContact O-CD 3.26Å; D132-P134 WeakPolarHBondContact O-CD 3.31Å; P134-V137 PolarHBondContact O-N 3.44Å; P134-K138 WeakPolarHBondContact O-CB 3.43Å; P134-K138 WeakPolarHBondContact O-CG 3.47Å; P134-K138 PolarHBondContact O-N 2.99Å; P134-Y177 HydrophobicContact CG-CD2 4.19Å; P134-Y177 HydrophobicContact CG-CE1 4.41Å; P134-Y177 HydrophobicContact CG-CE2 3.79Å; P134-Y179 HydrophobicContact CB-CE1 4.15Å; P134-V262 HydrophobicContact CB-CG1 4.39Å
135	E	98.3	Very high	97.5	Very high	126 Å²	126	42.8 Å²	42.8	59%	0.589	25%	0.246	S	C	*	.	H	α-helix	trans	-72.7	-37.5	-178.7	-63.8	-55.8	125.7	0	0	111.9	N133 K138 G139	N133-E135 VanDerWaalsContact C-N 3.32Å; N133-E135 PolarHBondContact O-N 2.92Å; N133-E135 PolarHBondContact OD1-N 2.92Å; E135-K138 IonicContact OE1-NZ 2.95Å; E135-K138 PolarHBondContact OE1-NZ 2.99Å; E135-G139 PolarHBondContact O-N 3.49Å
136	K	98.5	Very high	97.6	Very high	107 Å²	107	42.6 Å²	42.6	47%	0.465	24%	0.242	S	C	.	.	H	α-helix	trans	-65.9	-43.4	173.1	-68.1	-171.9	-175	179.1	0	111.8	G127 E131 N133 G139 A140	G127-K136 CarbonylContact O-C 3.5Å; G127-K136 WeakPolarHBondContact O-CB 3.14Å; E131-K136 IonicContact OE1-NZ 3.02Å; E131-K136 PolarHBondContact OE1-NZ 3.09Å; N133-K136 HydrophobicContact CB-CB 4.2Å; N133-K136 HydrophobicContact CB-CD 4.15Å; N133-K136 HydrophobicContact CB-CG 4.12Å; N133-K136 PolarHBondContact O-N 3.1Å; N133-K136 PolarHBondContact OD1-N 3.3Å; N133-K136 VanDerWaalsContact OD1-N 3.12Å; K136-G139 PolarHBondContact O-N 3.46Å; K136-A140 WeakPolarHBondContact O-CB 3.44Å; K136-A140 PolarHBondContact O-N 3.05Å
137	V	98.7	Very high	97.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-41.4	-179.6	177.6	0	0	0	0	110.7	W96 V128 N133 P134 G139 A140 I141 L172 Y179	W96-V137 HydrophobicContact CH2-CG2 4.02Å; V128-V137 HydrophobicContact CG2-CG1 4.39Å; N133-V137 WeakPolarHBondContact O-CG2 3.29Å; N133-V137 PolarHBondContact O-N 3.39Å; P134-V137 PolarHBondContact O-N 3.44Å; V137-G139 PolarHBondContact O-N 3.32Å; V137-A140 WeakPolarHBondContact O-CB 3.4Å; V137-A140 PolarHBondContact O-N 3.28Å; V137-I141 HydrophobicContact CG1-CD1 4.08Å; V137-I141 WeakPolarHBondContact O-CG1 3.04Å; V137-I141 PolarHBondContact O-N 3.21Å; V137-L172 HydrophobicContact CG1-CD2 3.89Å; V137-Y179 HydrophobicContact CB-CD1 3.96Å; V137-Y179 HydrophobicContact CB-CE1 3.6Å; V137-Y179 HydrophobicContact CB-CE2 4.35Å; V137-Y179 HydrophobicContact CG1-CD1 3.43Å; V137-Y179 VanDerWaalsContact CG1-CD1 3.43Å; V137-Y179 HydrophobicContact CG1-CD2 3.79Å; V137-Y179 HydrophobicContact CG1-CE1 3.56Å; V137-Y179 HydrophobicContact CG1-CE2 3.86Å; V137-Y179 HydrophobicContact CG1-CG 3.59Å; V137-Y179 HydrophobicContact CG2-CE1 4.3Å; V137-Y179 HydrophobicContact CG2-CE2 4.41Å
138	K	98.8	Very high	97.8	Very high	58 Å²	58	41.8 Å²	41.8	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-56.3	-49.5	171.4	-76.7	171.2	-177.3	173	0	111.8	P134 E135 A140 I141 I142 V260 V262	P134-K138 WeakPolarHBondContact O-CB 3.43Å; P134-K138 WeakPolarHBondContact O-CG 3.47Å; P134-K138 PolarHBondContact O-N 2.99Å; E135-K138 IonicContact OE1-NZ 2.95Å; E135-K138 PolarHBondContact OE1-NZ 2.99Å; K138-A140 VanDerWaalsContact C-N 3.3Å; K138-A140 PolarHBondContact O-N 3.14Å; K138-I141 PolarHBondContact O-N 2.85Å; K138-I142 WeakPolarHBondContact O-CG1 3.44Å; K138-I142 PolarHBondContact O-N 2.74Å; K138-V260 HydrophobicContact CB-CG1 4.23Å; K138-V260 HydrophobicContact CG-CB 4.45Å; K138-V260 HydrophobicContact CG-CG1 3.81Å; K138-V262 HydrophobicContact CD-CG2 4.08Å; K138-V262 HydrophobicContact CG-CG2 3.73Å
139	G	98.8	Very high	97.8	Very high	36 Å²	36	41.7 Å²	41.7	37%	0.371	22%	0.218	S	C	.	.	H	α-helix	trans	-58.9	-40.6	176.5	0	0	0	0	0	112.6	E135 K136 V137 I142 E143	E135-G139 PolarHBondContact O-N 3.49Å; K136-G139 PolarHBondContact O-N 3.46Å; V137-G139 PolarHBondContact O-N 3.32Å; G139-I142 PolarHBondContact O-N 2.9Å; G139-E143 VanDerWaalsContact O-CB 3.26Å; G139-E143 WeakPolarHBondContact O-CB 3.14Å; G139-E143 PolarHBondContact O-N 3.31Å
140	A	98.8	Very high	97.9	Very high	2 Å²	2	49 Å²	49	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-40.3	176.3	0	0	0	0	0	113	I122 T125 V128 K136 V137 K138 G144	I122-A140 HydrophobicContact CG2-CB 4.43Å; T125-A140 HydrophobicContact CG2-CB 4.47Å; T125-A140 WeakPolarHBondContact OG1-CB 3.27Å; V128-A140 HydrophobicContact CG2-CB 3.89Å; K136-A140 WeakPolarHBondContact O-CB 3.44Å; K136-A140 PolarHBondContact O-N 3.05Å; V137-A140 WeakPolarHBondContact O-CB 3.4Å; V137-A140 PolarHBondContact O-N 3.28Å; K138-A140 VanDerWaalsContact C-N 3.3Å; K138-A140 PolarHBondContact O-N 3.14Å; A140-G144 WeakPolarHBondContact O-CA 3.47Å; A140-G144 PolarHBondContact O-N 3.25Å
141	I	98.9	Very high	98.1	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-51.1	176.9	-67.3	166	0	0	0	109.7	I122 V137 K138 E143 G144 F145 Y179 P258 V260	I122-I141 HydrophobicContact CG2-CG1 4.24Å; V137-I141 HydrophobicContact CG1-CD1 4.08Å; V137-I141 WeakPolarHBondContact O-CG1 3.04Å; V137-I141 PolarHBondContact O-N 3.21Å; K138-I141 PolarHBondContact O-N 2.85Å; I141-E143 PolarHBondContact O-N 3.06Å; I141-G144 PolarHBondContact O-N 3.24Å; I141-F145 HydrophobicContact CG2-CD2 4.08Å; I141-F145 HydrophobicContact CG2-CE2 3.95Å; I141-F145 VanDerWaalsContact O-CD2 3.25Å; I141-F145 WeakPolarHBondContact O-CD2 3.29Å; I141-F145 PolarHBondContact O-N 3.4Å; I141-Y179 HydrophobicContact CD1-CG 4.39Å; I141-P258 HydrophobicContact CG2-CG 4.37Å; I141-V260 HydrophobicContact CB-CG1 4.38Å; I141-V260 HydrophobicContact CB-CG2 4.09Å; I141-V260 HydrophobicContact CD1-CG1 3.93Å; I141-V260 HydrophobicContact CG2-CG1 4.36Å; I141-V260 HydrophobicContact CG2-CG2 3.62Å
142	I	98.9	Very high	98.2	Very high	57 Å²	57	45.1 Å²	45.1	29%	0.292	22%	0.223	S	C	.	.	H	α-helix	trans	-56.6	-55.1	178.3	-65	167.8	0	0	0	109.9	K138 G139 G144 F145 M146 E257 P258 V260	K138-I142 WeakPolarHBondContact O-CG1 3.44Å; K138-I142 PolarHBondContact O-N 2.74Å; G139-I142 PolarHBondContact O-N 2.9Å; I142-G144 VanDerWaalsContact C-N 3.3Å; I142-G144 PolarHBondContact O-N 2.95Å; I142-F145 WeakPolarHBondContact O-CB 3.47Å; I142-F145 PolarHBondContact O-N 2.78Å; I142-M146 HydrophobicContact CG2-CG 4.35Å; I142-M146 VanDerWaalsContact O-CG 3.29Å; I142-M146 WeakPolarHBondContact O-CG 3.14Å; I142-M146 PolarHBondContact O-N 3.12Å; I142-E257 HydrophobicContact CG2-CG 4.46Å; I142-P258 HydrophobicContact CG1-CG 4.29Å; I142-V260 HydrophobicContact CD1-CG2 4.36Å; I142-V260 HydrophobicContact CG1-CG2 3.68Å
143	E	98.8	Very high	98.1	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-38	-179.2	179.8	62.8	-161.2	0	0	112	T125 G139 I141 F145 M146 Q147	T125-E143 HydrophobicContact CG2-CB 3.96Å; T125-E143 HydrophobicContact CG2-CG 3.79Å; G139-E143 VanDerWaalsContact O-CB 3.26Å; G139-E143 WeakPolarHBondContact O-CB 3.14Å; G139-E143 PolarHBondContact O-N 3.31Å; I141-E143 PolarHBondContact O-N 3.06Å; E143-F145 PolarHBondContact O-N 3.3Å; E143-M146 PolarHBondContact O-N 3.32Å; E143-Q147 HydrophobicContact CG-CG 4.24Å; E143-Q147 WeakPolarHBondContact O-CB 3.2Å; E143-Q147 VanDerWaalsContact O-CG 3.29Å; E143-Q147 WeakPolarHBondContact O-CG 3.32Å; E143-Q147 PolarHBondContact O-N 3.3Å; E143-Q147 VanDerWaalsContact OE1-CG 3.31Å; E143-Q147 WeakPolarHBondContact OE1-CG 3.36Å; E143-Q147 PolarHBondContact OE1-NE2 2.83Å
144	G	98.8	Very high	97.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-41.1	176	0	0	0	0	0	113.2	A140 I141 I142 T148	A140-G144 WeakPolarHBondContact O-CA 3.47Å; A140-G144 PolarHBondContact O-N 3.25Å; I141-G144 PolarHBondContact O-N 3.24Å; I142-G144 VanDerWaalsContact C-N 3.3Å; I142-G144 PolarHBondContact O-N 2.95Å; G144-T148 WeakPolarHBondContact O-CB 3.46Å; G144-T148 PolarHBondContact O-N 3.36Å; G144-T148 PolarHBondContact O-OG1 2.94Å
145	F	98.8	Very high	97.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-47.2	172.3	-87.4	-114.3	0	0	0	111.4	L118 I122 I141 I142 E143 Q147 T148 D149 V168 C183 L236 P258	L118-F145 HydrophobicContact CD1-CD2 3.66Å; L118-F145 HydrophobicContact CD1-CE2 3.91Å; L118-F145 HydrophobicContact CD1-CG 4.1Å; L118-F145 HydrophobicContact CD2-CD2 4.42Å; L118-F145 HydrophobicContact CD2-CE2 3.82Å; L118-F145 HydrophobicContact CD2-CZ 3.87Å; L118-F145 HydrophobicContact CG-CE2 4.35Å; I122-F145 HydrophobicContact CD1-CE2 4.43Å; I141-F145 HydrophobicContact CG2-CD2 4.08Å; I141-F145 HydrophobicContact CG2-CE2 3.95Å; I141-F145 VanDerWaalsContact O-CD2 3.25Å; I141-F145 WeakPolarHBondContact O-CD2 3.29Å; I141-F145 PolarHBondContact O-N 3.4Å; I142-F145 WeakPolarHBondContact O-CB 3.47Å; I142-F145 PolarHBondContact O-N 2.78Å; E143-F145 PolarHBondContact O-N 3.3Å; F145-Q147 VanDerWaalsContact C-N 3.35Å; F145-Q147 PolarHBondContact O-N 3.5Å; F145-T148 PolarHBondContact O-N 3.27Å; F145-D149 PolarHBondContact O-N 3.41Å; F145-V168 HydrophobicContact CE1-CB 3.78Å; F145-V168 HydrophobicContact CE1-CG1 4.07Å; F145-V168 HydrophobicContact CE1-CG2 4.17Å; F145-V168 HydrophobicContact CZ-CB 4.01Å; F145-V168 HydrophobicContact CZ-CG1 3.78Å; F145-C183 HydrophobicContact CD1-CB 4Å; F145-C183 HydrophobicContact CE1-CB 3.58Å; F145-L236 HydrophobicContact CD1-CD1 4.41Å; F145-L236 HydrophobicContact CD1-CD2 4.16Å; F145-L236 HydrophobicContact CD1-CG 4.43Å; F145-P258 HydrophobicContact CB-CG 3.84Å; F145-P258 HydrophobicContact CD1-CB 3.81Å; F145-P258 HydrophobicContact CD1-CG 3.89Å; F145-P258 HydrophobicContact CD2-CB 4.21Å; F145-P258 HydrophobicContact CD2-CG 3.78Å; F145-P258 HydrophobicContact CE1-CB 3.85Å; F145-P258 HydrophobicContact CE1-CG 4.36Å; F145-P258 HydrophobicContact CE2-CB 4.25Å; F145-P258 HydrophobicContact CE2-CG 4.26Å; F145-P258 HydrophobicContact CG-CB 3.99Å; F145-P258 HydrophobicContact CG-CG 3.57Å; F145-P258 HydrophobicContact CZ-CB 4.07Å
146	M	98.6	Very high	97.1	Very high	40 Å²	40	41.2 Å²	41.2	20%	0.197	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-40.5	179.7	-58.8	-51.2	-75.7	0	0	112.3	I142 E143 K150 P249 P256 E257	I142-M146 HydrophobicContact CG2-CG 4.35Å; I142-M146 VanDerWaalsContact O-CG 3.29Å; I142-M146 WeakPolarHBondContact O-CG 3.14Å; I142-M146 PolarHBondContact O-N 3.12Å; E143-M146 PolarHBondContact O-N 3.32Å; M146-K150 VanDerWaalsContact O-CB 3.29Å; M146-K150 WeakPolarHBondContact O-CB 3.33Å; M146-K150 PolarHBondContact O-N 2.73Å; M146-P249 HydrophobicContact CE-CB 3.62Å; M146-P249 HydrophobicContact CE-CG 4.42Å; M146-P256 HydrophobicContact CE-CG 3.94Å; M146-P256 HydrophobicContact SD-CB 4.42Å; M146-P256 HydrophobicContact SD-CG 3.88Å; M146-E257 HydrophobicContact SD-CB 4.14Å
147	Q	98.4	Very high	96.7	Very high	57 Å²	57	44.2 Å²	44.2	27%	0.266	22%	0.217	S	C	.	.	H	α-helix	trans	-67.1	-40.6	175.2	-73.8	-176.5	17.1	0	0	111.9	H121 E143 F145 K150 H151	H121-Q147 HydrophobicContact CB-CB 4.28Å; E143-Q147 HydrophobicContact CG-CG 4.24Å; E143-Q147 WeakPolarHBondContact O-CB 3.2Å; E143-Q147 VanDerWaalsContact O-CG 3.29Å; E143-Q147 WeakPolarHBondContact O-CG 3.32Å; E143-Q147 PolarHBondContact O-N 3.3Å; E143-Q147 VanDerWaalsContact OE1-CG 3.31Å; E143-Q147 WeakPolarHBondContact OE1-CG 3.36Å; E143-Q147 PolarHBondContact OE1-NE2 2.83Å; F145-Q147 VanDerWaalsContact C-N 3.35Å; F145-Q147 PolarHBondContact O-N 3.5Å; Q147-K150 PolarHBondContact O-N 3.2Å; Q147-H151 PolarHBondContact O-N 3.39Å
148	T	98.6	Very high	96.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-49.7	175.7	-56.9	0	0	0	0	110.8	Y113 L118 H121 G144 F145 K150 H151 L152 L236	Y113-T148 HydrophobicContact CE1-CG2 4.48Å; L118-T148 WeakPolarHBondContact CD1-OG1 3.33Å; H121-T148 WeakPolarHBondContact ND1-CA 3.5Å; H121-T148 PolarHBondContact ND1-OG1 2.8Å; G144-T148 WeakPolarHBondContact O-CB 3.46Å; G144-T148 PolarHBondContact O-N 3.36Å; G144-T148 PolarHBondContact O-OG1 2.94Å; F145-T148 PolarHBondContact O-N 3.27Å; T148-K150 VanDerWaalsContact C-N 3.34Å; T148-K150 PolarHBondContact O-N 3.38Å; T148-H151 PolarHBondContact O-N 2.89Å; T148-L152 VanDerWaalsContact O-CB 3.23Å; T148-L152 WeakPolarHBondContact O-CB 3.49Å; T148-L152 PolarHBondContact O-N 3.2Å; T148-L236 HydrophobicContact CG2-CD1 4.03Å
149	D	98.4	Very high	95.9	Very high	11 Å²	11	54.6 Å²	54.6	6%	0.059	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-41.6	178.7	-159.5	58.2	0	0	0	111.9	F145 L152 H153 L236 G237 F239 K242 P256	F145-D149 PolarHBondContact O-N 3.41Å; D149-L152 PolarHBondContact O-N 3.22Å; D149-H153 PolarHBondContact O-N 2.87Å; D149-L236 HydrophobicContact CB-CD2 3.79Å; D149-L236 WeakPolarHBondContact OD1-CA 3.14Å; D149-G237 PolarHBondContact OD1-N 3.42Å; D149-F239 WeakPolarHBondContact O-CZ 3.15Å; D149-K242 IonicContact OD1-NZ 3.09Å; D149-K242 PolarHBondContact OD1-NZ 2.95Å; D149-K242 IonicContact OD2-NZ 3.78Å; D149-K242 PolarHBondContact OD2-NZ 2.83Å; D149-P256 HydrophobicContact CB-CB 3.69Å; D149-P256 HydrophobicContact CB-CG 4.23Å; D149-P256 VanDerWaalsContact CG-CB 3.5Å; D149-P256 WeakPolarHBondContact OD2-CB 3.43Å; D149-P256 WeakPolarHBondContact OD2-CG 3.48Å
150	K	97.2	Very high	95.5	Very high	160 Å²	160	55.2 Å²	55.2	70%	0.696	27%	0.266	S	S	*	.	H	α-helix	trans	-63.2	-45	178.1	-176.8	-177.3	178.9	-176.2	0	112.3	M146 Q147 T148 H153	M146-K150 VanDerWaalsContact O-CB 3.29Å; M146-K150 WeakPolarHBondContact O-CB 3.33Å; M146-K150 PolarHBondContact O-N 2.73Å; Q147-K150 PolarHBondContact O-N 3.2Å; T148-K150 VanDerWaalsContact C-N 3.34Å; T148-K150 PolarHBondContact O-N 3.38Å; K150-H153 PolarHBondContact O-N 2.84Å
151	H	96.3	Very high	95.2	Very high	93 Å²	93	58.4 Å²	58.4	43%	0.431	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-43.5	174.9	-83	163.7	0	0	0	111.1	H121 Q147 T148 H153 S154 V155	H121-H151 AromaticContact CD2-ND1 3.87Å; H121-H151 AromaticContact CE1-ND1 3.61Å; H121-H151 AromaticContact NE2-CE1 3.71Å; H121-H151 AromaticContact NE2-ND1 2.94Å; H121-H151 PolarHBondContact NE2-ND1 3.44Å; Q147-H151 PolarHBondContact O-N 3.39Å; T148-H151 PolarHBondContact O-N 2.89Å; H151-H153 VanDerWaalsContact C-N 3.27Å; H151-H153 PolarHBondContact O-N 2.95Å; H151-S154 PolarHBondContact O-N 2.91Å; H151-S154 VanDerWaalsContact O-N 3.09Å; H151-S154 PolarHBondContact O-OG 3.29Å; H151-V155 PolarHBondContact O-N 3.43Å
152	L	96.1	Very high	94.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-37.9	177.6	-177.8	67.9	0	0	0	111.8	V110 Y113 T148 D149 S154 V155 A156 W161 F239	V110-L152 HydrophobicContact CB-CD2 4.39Å; V110-L152 HydrophobicContact CG1-CD2 3.55Å; V110-L152 HydrophobicContact CG2-CD1 4.35Å; V110-L152 HydrophobicContact CG2-CD2 4.19Å; Y113-L152 HydrophobicContact CD1-CB 4.35Å; Y113-L152 HydrophobicContact CD1-CD1 3.65Å; Y113-L152 HydrophobicContact CE1-CB 4.21Å; Y113-L152 HydrophobicContact CE1-CD1 4.19Å; Y113-L152 HydrophobicContact CG-CD1 3.91Å; T148-L152 VanDerWaalsContact O-CB 3.23Å; T148-L152 WeakPolarHBondContact O-CB 3.49Å; T148-L152 PolarHBondContact O-N 3.2Å; D149-L152 PolarHBondContact O-N 3.22Å; L152-S154 VanDerWaalsContact C-N 3.28Å; L152-S154 PolarHBondContact O-N 2.94Å; L152-V155 PolarHBondContact O-N 2.91Å; L152-V155 VanDerWaalsContact O-N 3.12Å; L152-A156 VanDerWaalsContact O-CB 3.24Å; L152-A156 WeakPolarHBondContact O-CB 3.46Å; L152-A156 PolarHBondContact O-N 2.88Å; L152-W161 HydrophobicContact CD1-CE3 4.49Å; L152-F239 HydrophobicContact CB-CE2 4.47Å; L152-F239 HydrophobicContact CB-CZ 4.03Å; L152-F239 HydrophobicContact CD2-CE2 4.14Å; L152-F239 HydrophobicContact CD2-CZ 4Å; L152-F239 HydrophobicContact CG-CE2 3.89Å; L152-F239 HydrophobicContact CG-CZ 3.87Å
153	H	94.9	Very high	94.3	Very high	56 Å²	56	68.5 Å²	68.5	26%	0.259	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-39.7	176.5	-169.8	41.8	0	0	0	112.9	D149 K150 H151 R157 F239	D149-H153 PolarHBondContact O-N 2.87Å; K150-H153 PolarHBondContact O-N 2.84Å; H151-H153 VanDerWaalsContact C-N 3.27Å; H151-H153 PolarHBondContact O-N 2.95Å; H153-R157 PolarHBondContact CE1-NE 2.89Å; H153-R157 PolarHBondContact NE2-NE 2.85Å; H153-R157 PolarHBondContact NE2-NH2 3.26Å; H153-R157 WeakPolarHBondContact O-CG 3.42Å; H153-R157 PolarHBondContact O-N 2.81Å; H153-F239 HydrophobicContact CB-CD1 3.98Å; H153-F239 HydrophobicContact CB-CE1 3.54Å; H153-F239 HydrophobicContact CB-CE2 4.21Å; H153-F239 HydrophobicContact CB-CZ 3.67Å; H153-F239 AromaticContact CE1-CD1 3.96Å; H153-F239 AromaticContact CE1-CG 3.92Å; H153-F239 AromaticContact CG-CD1 3.84Å; H153-F239 AromaticContact CG-CE1 3.94Å; H153-F239 AromaticContact ND1-CD1 3.33Å; H153-F239 VanDerWaalsContact ND1-CD1 3.33Å; H153-F239 WeakPolarHBondContact ND1-CD1 3.13Å; H153-F239 AromaticContact ND1-CD2 3.75Å; H153-F239 AromaticContact ND1-CE1 3.85Å; H153-F239 AromaticContact ND1-CG 3.28Å; H153-F239 VanDerWaalsContact ND1-CG 3.28Å; H153-F239 WeakPolarHBondContact ND1-CG 3.48Å
154	S	92.3	Very high	94.2	Very high	73 Å²	73	64.4 Å²	64.4	51%	0.51	30%	0.296	S	S	.	.	H	α-helix	trans	-68.1	-37.5	177.5	75.2	0	0	0	0	112.3	H151 L152	H151-S154 PolarHBondContact O-N 2.91Å; H151-S154 VanDerWaalsContact O-N 3.09Å; H151-S154 PolarHBondContact O-OG 3.29Å; L152-S154 VanDerWaalsContact C-N 3.28Å; L152-S154 PolarHBondContact O-N 2.94Å
155	V	91.4	Very high	94.2	Very high	20 Å²	20	64.4 Å²	64.4	12%	0.121	30%	0.296	C	S	.	.	H	α-helix	trans	-72.5	-47.2	177.4	178.7	0	0	0	0	110.3	Y113 H151 L152 R157 R158 E159 W161	Y113-V155 HydrophobicContact CE2-CG2 4.34Å; H151-V155 PolarHBondContact O-N 3.43Å; L152-V155 PolarHBondContact O-N 2.91Å; L152-V155 VanDerWaalsContact O-N 3.12Å; V155-R157 VanDerWaalsContact C-N 3.32Å; V155-R157 PolarHBondContact O-N 2.77Å; V155-R158 WeakPolarHBondContact O-CB 3.42Å; V155-R158 PolarHBondContact O-N 2.81Å; V155-E159 HydrophobicContact CG1-CG 3.96Å; V155-E159 WeakPolarHBondContact O-CG 3.45Å; V155-E159 PolarHBondContact O-N 2.89Å; V155-W161 HydrophobicContact CG1-CE3 4.15Å; V155-W161 HydrophobicContact CG1-CH2 4.22Å; V155-W161 HydrophobicContact CG1-CZ3 3.68Å
156	A	90.1	Very high	94.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-39.6	-177.1	0	0	0	0	0	112.5	L152 R158 G160 W161 F239	L152-A156 VanDerWaalsContact O-CB 3.24Å; L152-A156 WeakPolarHBondContact O-CB 3.46Å; L152-A156 PolarHBondContact O-N 2.88Å; A156-R158 VanDerWaalsContact C-N 3.28Å; A156-R158 PolarHBondContact O-N 3Å; A156-G160 WeakPolarHBondContact O-CA 3.17Å; A156-G160 PolarHBondContact O-N 3.23Å; A156-W161 HydrophobicContact CB-CB 4Å; A156-W161 PolarHBondContact O-N 3.28Å; A156-F239 HydrophobicContact CB-CD2 3.71Å; A156-F239 HydrophobicContact CB-CE2 3.57Å
157	R	89.6	Confident	94.2	Very high	171 Å²	171	62.5 Å²	62.5	65%	0.645	29%	0.287	S	S	*	.	H	α-helix	trans	-65	-28.6	174.1	-76.7	-179.4	174	-173.9	-2.4	114.1	H153 V155	H153-R157 PolarHBondContact CE1-NE 2.89Å; H153-R157 PolarHBondContact NE2-NE 2.85Å; H153-R157 PolarHBondContact NE2-NH2 3.26Å; H153-R157 WeakPolarHBondContact O-CG 3.42Å; H153-R157 PolarHBondContact O-N 2.81Å; V155-R157 VanDerWaalsContact C-N 3.32Å; V155-R157 PolarHBondContact O-N 2.77Å
158	R	90.3	Very high	94.2	Very high	178 Å²	178	59.8 Å²	59.8	67%	0.672	27%	0.274	S	S	*	.	H	α-helix	trans	-83.2	-39.3	179.9	-175	178.5	63	-145.2	-10	111.3	V155 A156	V155-R158 WeakPolarHBondContact O-CB 3.42Å; V155-R158 PolarHBondContact O-N 2.81Å; A156-R158 VanDerWaalsContact C-N 3.28Å; A156-R158 PolarHBondContact O-N 3Å
159	E	90.4	Very high	94.2	Very high	98 Å²	98	59.8 Å²	59.8	46%	0.458	27%	0.274	S	S	.	.	H	α-helix	trans	-97.5	-7.2	-173.4	-52.3	-56.1	143	0	0	113.8	V155 W161	V155-E159 HydrophobicContact CG1-CG 3.96Å; V155-E159 WeakPolarHBondContact O-CG 3.45Å; V155-E159 PolarHBondContact O-N 2.89Å; E159-W161 HydrophobicContact CB-CD2 3.89Å; E159-W161 VanDerWaalsContact CB-CE2 3.49Å; E159-W161 HydrophobicContact CB-CG 4.21Å; E159-W161 HydrophobicContact CB-CH2 4.48Å; E159-W161 HydrophobicContact CB-CZ2 3.82Å; E159-W161 HydrophobicContact CG-CH2 4.32Å; E159-W161 HydrophobicContact CG-CZ2 4.03Å
160	G	90.6	Very high	94.2	Very high	50 Å²	50	59.4 Å²	59.4	52%	0.515	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	35.8	179.5	0	0	0	0	0	114.5	A156 E162	A156-G160 WeakPolarHBondContact O-CA 3.17Å; A156-G160 PolarHBondContact O-N 3.23Å; G160-E162 VanDerWaalsContact CA-OE2 3.3Å; G160-E162 WeakPolarHBondContact CA-OE2 3.46Å
161	W	90.7	Very high	94.3	Very high	69 Å²	69	51.8 Å²	51.8	26%	0.261	24%	0.24	S	C	.	.			trans	-100.6	19.5	-178.1	-54.3	-18	0	0	0	113.3	T109 V110 L152 V155 A156 E159 R163 G164	T109-W161 HydrophobicContact CG2-CD2 4.43Å; T109-W161 HydrophobicContact CG2-CZ2 3.98Å; V110-W161 HydrophobicContact CG2-CB 4.46Å; L152-W161 HydrophobicContact CD1-CE3 4.49Å; V155-W161 HydrophobicContact CG1-CE3 4.15Å; V155-W161 HydrophobicContact CG1-CH2 4.22Å; V155-W161 HydrophobicContact CG1-CZ3 3.68Å; A156-W161 HydrophobicContact CB-CB 4Å; A156-W161 PolarHBondContact O-N 3.28Å; E159-W161 HydrophobicContact CB-CD2 3.89Å; E159-W161 VanDerWaalsContact CB-CE2 3.49Å; E159-W161 HydrophobicContact CB-CG 4.21Å; E159-W161 HydrophobicContact CB-CH2 4.48Å; E159-W161 HydrophobicContact CB-CZ2 3.82Å; E159-W161 HydrophobicContact CG-CH2 4.32Å; E159-W161 HydrophobicContact CG-CZ2 4.03Å; W161-R163 PolarHBondContact O-N 3.25Å; W161-G164 PolarHBondContact O-N 3.26Å
162	E	87.5	Confident	94.4	Very high	76 Å²	76	47.5 Å²	47.5	36%	0.355	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.4	-166.6	-56	94.7	153.9	0	0	114.5	G160 F239 S240	G160-E162 VanDerWaalsContact CA-OE2 3.3Å; G160-E162 WeakPolarHBondContact CA-OE2 3.46Å; E162-F239 PolarHBondContact O-N 3.33Å; E162-F239 VanDerWaalsContact O-N 3.14Å; E162-S240 PolarHBondContact O-N 3.18Å
163	R	92.4	Very high	94.5	Very high	197 Å²	197	47.5 Å²	47.5	74%	0.743	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-12.6	176.2	-63.8	-165.8	-62.8	-98.2	-0.7	114.1	A106 W161	A106-R163 WeakPolarHBondContact CB-O 3.4Å; W161-R163 PolarHBondContact O-N 3.25Å
164	G	96.4	Very high	94.6	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.031	21%	0.207	C	C	.	.			trans	-77.1	146.5	178.8	0	0	0	0	0	110.4	H105 W161 D238	H105-G164 WeakPolarHBondContact O-CA 3.39Å; W161-G164 PolarHBondContact O-N 3.26Å; G164-D238 PolarHBondContact O-N 3.24Å
165	G	98.4	Very high	94.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	172.2	175.3	0	0	0	0	0	111.3	H105 L236	H105-G165 PolarHBondContact N-O 3.23Å; H105-G165 WeakPolarHBondContact NE2-CA 3.36Å; H105-G165 PolarHBondContact O-N 3.41Å; G165-L236 CarbonylContact C-O 3.57Å; G165-L236 VanDerWaalsContact CA-O 3.23Å; G165-L236 WeakPolarHBondContact CA-O 3.42Å
166	T	98.9	Very high	95	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	139.7	170.9	-167.6	0	0	0	0	111.1	D103 V110 A111 C114 V168 A235 L236	D103-T166 VanDerWaalsContact C-OG1 3.3Å; D103-T166 CarbonylContact O-C 3.51Å; D103-T166 WeakPolarHBondContact O-CA 3.45Å; D103-T166 WeakPolarHBondContact O-CB 3.33Å; D103-T166 PolarHBondContact O-OG1 2.72Å; V110-T166 HydrophobicContact CG1-CG2 3.8Å; A111-T166 WeakPolarHBondContact CB-OG1 3.5Å; C114-T166 HydrophobicContact CB-CG2 4.02Å; T166-V168 HydrophobicContact CG2-CG2 4.24Å; T166-A235 WeakPolarHBondContact O-CA 3.27Å; T166-A235 WeakPolarHBondContact O-CB 3.3Å; T166-L236 HydrophobicContact CG2-CB 4.11Å; T166-L236 PolarHBondContact N-O 3.18Å; T166-L236 PolarHBondContact O-N 3.07Å
167	T	98.9	Very high	95.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	158.9	161.6	80.7	0	0	0	0	109.6	F102 D103 C183 D185 S186 V232	F102-T167 VanDerWaalsContact CA-O 3.31Å; F102-T167 WeakPolarHBondContact CA-O 3.23Å; D103-T167 HydrophobicContact CB-CG2 4.47Å; D103-T167 VanDerWaalsContact CB-OG1 3.23Å; D103-T167 WeakPolarHBondContact CB-OG1 3.07Å; D103-T167 PolarHBondContact N-O 3.44Å; D103-T167 PolarHBondContact O-N 3.33Å; T167-C183 CarbonylContact C-O 3.58Å; T167-C183 WeakPolarHBondContact CA-O 3.46Å; T167-C183 WeakPolarHBondContact CB-O 3.16Å; T167-D185 WeakPolarHBondContact CG2-OD1 3.43Å; T167-S186 PolarHBondContact OG1-OG 3.01Å; T167-V232 HydrophobicContact CG2-CG1 3.89Å
168	V	98.9	Very high	95.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	122.7	173.8	-171.8	0	0	0	0	108.8	V101 F102 L118 F145 T166 N182 C183 L236	V101-V168 WeakPolarHBondContact O-CA 3.47Å; F102-V168 HydrophobicContact CD1-CB 4.34Å; F102-V168 HydrophobicContact CD1-CG1 4Å; F102-V168 HydrophobicContact CD1-CG2 3.67Å; F102-V168 HydrophobicContact CE1-CB 4.39Å; F102-V168 HydrophobicContact CE1-CG1 3.66Å; F102-V168 HydrophobicContact CE1-CG2 3.87Å; F102-V168 HydrophobicContact CZ-CG1 4.21Å; L118-V168 HydrophobicContact CD2-CG1 3.71Å; F145-V168 HydrophobicContact CE1-CB 3.78Å; F145-V168 HydrophobicContact CE1-CG1 4.07Å; F145-V168 HydrophobicContact CE1-CG2 4.17Å; F145-V168 HydrophobicContact CZ-CB 4.01Å; F145-V168 HydrophobicContact CZ-CG1 3.78Å; T166-V168 HydrophobicContact CG2-CG2 4.24Å; V168-N182 CarbonylContact O-C 3.58Å; V168-N182 WeakPolarHBondContact O-CA 3.33Å; V168-N182 PolarHBondContact O-OD1 3.28Å; V168-C183 PolarHBondContact N-O 2.94Å; V168-C183 PolarHBondContact O-N 3.39Å; V168-L236 HydrophobicContact CG2-CD1 3.75Å; V168-L236 HydrophobicContact CG2-CG 4.23Å
169	V	98.9	Very high	96.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.2	157.2	68.3	0	0	0	0	108.2	A100 V101 A188 L274	A100-V169 CarbonylContact C-O 3.59Å; A100-V169 WeakPolarHBondContact CA-O 3.38Å; V101-V169 HydrophobicContact CB-CG1 3.98Å; V101-V169 PolarHBondContact N-O 3.37Å; V101-V169 PolarHBondContact O-N 3.19Å; V169-A188 HydrophobicContact CG2-CB 3.63Å; V169-L274 HydrophobicContact CG1-CB 4.12Å; V169-L274 HydrophobicContact CG1-CD2 4.39Å; V169-L274 HydrophobicContact CG1-CG 4.38Å
170	S	98.8	Very high	96.6	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.1	-175.2	64.2	0	0	0	0	111.5	F99 F180 G181	F99-S170 CarbonylContact O-C 3.55Å; F99-S170 VanDerWaalsContact O-CA 3.31Å; F99-S170 WeakPolarHBondContact O-CA 3.37Å; S170-F180 WeakPolarHBondContact O-CA 3.26Å; S170-G181 PolarHBondContact N-O 3.34Å; S170-G181 PolarHBondContact O-N 2.97Å; S170-G181 PolarHBondContact OG-O 2.98Å
171	T	98.8	Very high	97	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.3	168.7	-174.6	0	0	0	0	111.6	F98 F99 L173 I178 Y179 L272 L274 L327	F98-T171 WeakPolarHBondContact CA-O 3.24Å; F98-T171 WeakPolarHBondContact CD2-O 3.45Å; F99-T171 HydrophobicContact CB-CG2 3.89Å; F99-T171 HydrophobicContact CD2-CG2 4.41Å; F99-T171 PolarHBondContact N-O 2.89Å; F99-T171 PolarHBondContact O-N 3.19Å; T171-L173 HydrophobicContact CG2-CD1 3.54Å; T171-I178 VanDerWaalsContact OG1-CG2 3.23Å; T171-I178 WeakPolarHBondContact OG1-CG2 3.41Å; T171-Y179 CarbonylContact C-O 3.58Å; T171-Y179 WeakPolarHBondContact CA-O 3.46Å; T171-Y179 PolarHBondContact OG1-O 2.89Å; T171-Y179 VanDerWaalsContact OG1-O 3.04Å; T171-L272 HydrophobicContact CG2-CD2 4.05Å; T171-L274 HydrophobicContact CG2-CD1 4.02Å; T171-L274 HydrophobicContact CG2-CD2 4.04Å; T171-L327 HydrophobicContact CG2-CD1 4.03Å
172	L	98.6	Very high	97.4	Very high	3 Å²	3	26 Å²	26	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.2	165.5	-169	79.6	0	0	0	106.5	L89 W96 S97 F98 L119 V128 V137 Y179	L89-L172 HydrophobicContact CD1-CD1 4.18Å; W96-L172 HydrophobicContact CE3-CD1 4.35Å; W96-L172 HydrophobicContact CE3-CD2 3.63Å; W96-L172 HydrophobicContact CE3-CG 3.69Å; W96-L172 HydrophobicContact CZ3-CD2 3.38Å; W96-L172 HydrophobicContact CZ3-CG 3.87Å; S97-L172 CarbonylContact O-C 3.51Å; S97-L172 WeakPolarHBondContact O-CA 3.25Å; F98-L172 HydrophobicContact CB-CD1 4.11Å; F98-L172 HydrophobicContact CD2-CD1 4.04Å; L119-L172 HydrophobicContact CD1-CD1 4.42Å; V128-L172 HydrophobicContact CG1-CD2 3.81Å; V128-L172 HydrophobicContact CG2-CD2 3.88Å; V137-L172 HydrophobicContact CG1-CD2 3.89Å; L172-Y179 PolarHBondContact N-O 2.96Å; L172-Y179 WeakPolarHBondContact O-CB 3.38Å; L172-Y179 WeakPolarHBondContact O-CD2 3.46Å; L172-Y179 PolarHBondContact O-N 3.48Å
173	L	98.1	Very high	98	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.4	179	-63.9	93.8	0	0	0	109	W63 L65 W96 S97 F99 T171 I178 L327 F329	W63-L173 HydrophobicContact CH2-CB 4.17Å; W63-L173 HydrophobicContact CH2-CD2 4.2Å; W63-L173 HydrophobicContact CZ2-CB 4.21Å; L65-L173 HydrophobicContact CD1-CD2 4.3Å; L65-L173 HydrophobicContact CD2-CD2 4.32Å; W96-L173 CarbonylContact C-O 3.48Å; W96-L173 WeakPolarHBondContact CA-O 3.23Å; S97-L173 PolarHBondContact N-O 2.98Å; S97-L173 PolarHBondContact O-N 2.87Å; F99-L173 HydrophobicContact CD2-CD1 3.76Å; F99-L173 HydrophobicContact CE2-CD1 4.16Å; T171-L173 HydrophobicContact CG2-CD1 3.54Å; L173-I178 HydrophobicContact CG-CG2 4.4Å; L173-L327 HydrophobicContact CD1-CD1 4.07Å; L173-F329 HydrophobicContact CD2-CE1 3.61Å; L173-F329 HydrophobicContact CD2-CZ 3.74Å
174	S	97.3	Very high	98.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.058	C	C	.	.			trans	-113.4	178.3	171.2	77.8	0	0	0	0	110	W96 D132 Y176 Y177 R265	W96-S174 VanDerWaalsContact CH2-CB 3.48Å; W96-S174 VanDerWaalsContact CZ2-CB 3.5Å; D132-S174 VanDerWaalsContact CG-OG 3.23Å; D132-S174 PolarHBondContact OD1-OG 3.46Å; D132-S174 WeakPolarHBondContact OD2-CB 3.13Å; D132-S174 PolarHBondContact OD2-OG 2.95Å; S174-Y176 PolarHBondContact O-N 3.47Å; S174-Y176 PolarHBondContact OG-N 3.31Å; S174-Y177 PolarHBondContact N-O 3.14Å; S174-Y177 PolarHBondContact OG-N 3.34Å; S174-Y177 PolarHBondContact OG-O 2.91Å; S174-R265 WeakPolarHBondContact O-CD 3.46Å; S174-R265 PolarHBondContact O-NH1 3.33Å
175	P	94.7	Very high	98.4	Very high	41 Å²	41	13 Å²	13	27%	0.266	6%	0.057	S	C	.	.	S	Bend	trans	-57	-30.9	171.8	-27.9	37.3	0	0	0	114	E95 R265	E95-P175 HydrophobicContact CB-CG 3.85Å; P175-R265 PolarHBondContact O-NH1 3.33Å
176	Y	96.4	Very high	98.4	Very high	154 Å²	154	13 Å²	13	60%	0.604	6%	0.057	S	C	*	.	S	Bend	trans	-113.3	-27	-171.1	-54.4	-72.3	0	0	0	114.4	D132 S174 R265	D132-Y176 HydrophobicContact CB-CD2 4.35Å; D132-Y176 WeakPolarHBondContact OD2-CD2 3.24Å; S174-Y176 PolarHBondContact O-N 3.47Å; S174-Y176 PolarHBondContact OG-N 3.31Å; Y176-R265 WeakPolarHBondContact O-CB 3.19Å; Y176-R265 PolarHBondContact O-N 3.17Å
177	Y	98.6	Very high	98.4	Very high	63 Å²	63	15 Å²	15	25%	0.247	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.5	-170.6	-61.4	-73.3	0	0	0	112.7	D132 P134 S174 Y179 V262 V263 E264	D132-Y177 WeakPolarHBondContact OD2-CD2 3.42Å; P134-Y177 HydrophobicContact CG-CD2 4.19Å; P134-Y177 HydrophobicContact CG-CE1 4.41Å; P134-Y177 HydrophobicContact CG-CE2 3.79Å; S174-Y177 PolarHBondContact N-O 3.14Å; S174-Y177 PolarHBondContact OG-N 3.34Å; S174-Y177 PolarHBondContact OG-O 2.91Å; Y177-Y179 WeakPolarHBondContact CD2-OH 3.44Å; Y177-Y179 HydrophobicContact CG-CE2 4.44Å; Y177-V262 HydrophobicContact CD1-CG1 3.8Å; Y177-V262 HydrophobicContact CG-CG1 4.05Å; Y177-V263 CarbonylContact C-O 3.36Å; Y177-V263 WeakPolarHBondContact CA-O 3.41Å; Y177-E264 HydrophobicContact CD1-CB 4.17Å; Y177-E264 HydrophobicContact CD1-CG 4.43Å; Y177-E264 HydrophobicContact CE1-CB 4.06Å; Y177-E264 HydrophobicContact CE1-CG 4.11Å
178	I	98.7	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113	164.9	-49.7	173.7	0	0	0	106.2	T171 L173 F180 L190 V262 V263 R265 L272 F329	T171-I178 VanDerWaalsContact OG1-CG2 3.23Å; T171-I178 WeakPolarHBondContact OG1-CG2 3.41Å; L173-I178 HydrophobicContact CG-CG2 4.4Å; I178-F180 HydrophobicContact CB-CE2 3.85Å; I178-F180 HydrophobicContact CB-CZ 4.11Å; I178-F180 HydrophobicContact CG2-CD2 4.11Å; I178-F180 HydrophobicContact CG2-CE1 3.89Å; I178-F180 HydrophobicContact CG2-CE2 3.44Å; I178-F180 VanDerWaalsContact CG2-CE2 3.44Å; I178-F180 HydrophobicContact CG2-CZ 3.33Å; I178-L190 HydrophobicContact CD1-CD1 3.93Å; I178-L190 HydrophobicContact CD1-CD2 3.9Å; I178-V262 WeakPolarHBondContact O-CA 3.19Å; I178-V263 PolarHBondContact N-O 3.44Å; I178-V263 PolarHBondContact O-N 3.41Å; I178-R265 HydrophobicContact CD1-CG 4.2Å; I178-R265 HydrophobicContact CG1-CG 3.65Å; I178-L272 HydrophobicContact CG2-CD2 4.07Å; I178-F329 HydrophobicContact CD1-CE1 4.34Å; I178-F329 HydrophobicContact CD1-CE2 4.36Å; I178-F329 HydrophobicContact CD1-CZ 3.68Å
179	Y	98.9	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.2	174.2	-58.8	-89.6	0	0	0	108.1	W96 D132 P134 V137 I141 T171 L172 Y177 V262	W96-Y179 AromaticContact CH2-CE2 3.94Å; W96-Y179 HydrophobicContact CH2-CE2 3.94Å; W96-Y179 HydrophobicContact CZ3-CD2 4.16Å; W96-Y179 AromaticContact CZ3-CE2 3.87Å; W96-Y179 HydrophobicContact CZ3-CE2 3.87Å; D132-Y179 WeakPolarHBondContact OD1-CE2 3.37Å; D132-Y179 PolarHBondContact OD1-OH 3.39Å; P134-Y179 HydrophobicContact CB-CE1 4.15Å; V137-Y179 HydrophobicContact CB-CD1 3.96Å; V137-Y179 HydrophobicContact CB-CE1 3.6Å; V137-Y179 HydrophobicContact CB-CE2 4.35Å; V137-Y179 HydrophobicContact CG1-CD1 3.43Å; V137-Y179 VanDerWaalsContact CG1-CD1 3.43Å; V137-Y179 HydrophobicContact CG1-CD2 3.79Å; V137-Y179 HydrophobicContact CG1-CE1 3.56Å; V137-Y179 HydrophobicContact CG1-CE2 3.86Å; V137-Y179 HydrophobicContact CG1-CG 3.59Å; V137-Y179 HydrophobicContact CG2-CE1 4.3Å; V137-Y179 HydrophobicContact CG2-CE2 4.41Å; I141-Y179 HydrophobicContact CD1-CG 4.39Å; T171-Y179 CarbonylContact C-O 3.58Å; T171-Y179 WeakPolarHBondContact CA-O 3.46Å; T171-Y179 PolarHBondContact OG1-O 2.89Å; T171-Y179 VanDerWaalsContact OG1-O 3.04Å; L172-Y179 PolarHBondContact N-O 2.96Å; L172-Y179 WeakPolarHBondContact O-CB 3.38Å; L172-Y179 WeakPolarHBondContact O-CD2 3.46Å; L172-Y179 PolarHBondContact O-N 3.48Å; Y177-Y179 WeakPolarHBondContact CD2-OH 3.44Å; Y177-Y179 HydrophobicContact CG-CE2 4.44Å; Y179-V262 HydrophobicContact CD1-CB 4.25Å; Y179-V262 HydrophobicContact CD1-CG1 3.87Å; Y179-V262 HydrophobicContact CD1-CG2 3.41Å; Y179-V262 VanDerWaalsContact CD1-CG2 3.41Å; Y179-V262 HydrophobicContact CE1-CB 4.35Å; Y179-V262 HydrophobicContact CE1-CG1 3.64Å; Y179-V262 HydrophobicContact CE1-CG2 3.71Å; Y179-V262 HydrophobicContact CG-CG2 4.45Å
180	F	98.9	Very high	98.4	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.5	176.1	-63.1	-86.6	0	0	0	109.1	S170 I178 A188 L190 F198 T200 V260 C261 V263 L272	S170-F180 WeakPolarHBondContact O-CA 3.26Å; I178-F180 HydrophobicContact CB-CE2 3.85Å; I178-F180 HydrophobicContact CB-CZ 4.11Å; I178-F180 HydrophobicContact CG2-CD2 4.11Å; I178-F180 HydrophobicContact CG2-CE1 3.89Å; I178-F180 HydrophobicContact CG2-CE2 3.44Å; I178-F180 VanDerWaalsContact CG2-CE2 3.44Å; I178-F180 HydrophobicContact CG2-CZ 3.33Å; F180-A188 HydrophobicContact CD1-CB 3.83Å; F180-A188 HydrophobicContact CE1-CB 3.95Å; F180-L190 HydrophobicContact CZ-CB 4.44Å; F180-F198 HydrophobicContact CB-CE1 4.22Å; F180-F198 AromaticContact CD1-CE1 3.94Å; F180-F198 HydrophobicContact CD1-CE1 3.94Å; F180-F198 AromaticContact CD2-CD1 3.9Å; F180-F198 HydrophobicContact CD2-CD1 3.9Å; F180-F198 AromaticContact CD2-CE1 3.38Å; F180-F198 HydrophobicContact CD2-CE1 3.38Å; F180-F198 AromaticContact CD2-CZ 3.97Å; F180-F198 HydrophobicContact CD2-CZ 3.97Å; F180-F198 HydrophobicContact CE1-CD1 4.22Å; F180-F198 HydrophobicContact CE1-CE1 4.1Å; F180-F198 AromaticContact CE2-CD1 3.55Å; F180-F198 HydrophobicContact CE2-CD1 3.55Å; F180-F198 AromaticContact CE2-CE1 3.56Å; F180-F198 HydrophobicContact CE2-CE1 3.56Å; F180-F198 HydrophobicContact CE2-CG 4.44Å; F180-F198 HydrophobicContact CE2-CZ 4.44Å; F180-F198 HydrophobicContact CG-CD1 4.36Å; F180-F198 AromaticContact CG-CE1 3.57Å; F180-F198 HydrophobicContact CG-CE1 3.57Å; F180-F198 HydrophobicContact CG-CZ 4.24Å; F180-F198 AromaticContact CZ-CD1 3.72Å; F180-F198 HydrophobicContact CZ-CD1 3.72Å; F180-F198 AromaticContact CZ-CE1 3.91Å; F180-F198 HydrophobicContact CZ-CE1 3.91Å; F180-T200 HydrophobicContact CB-CG2 4.03Å; F180-T200 HydrophobicContact CD1-CG2 4.35Å; F180-T200 HydrophobicContact CG-CG2 4.41Å; F180-V260 WeakPolarHBondContact O-CA 3.48Å; F180-V260 WeakPolarHBondContact O-CG1 3.49Å; F180-C261 HydrophobicContact CB-CB 4.37Å; F180-C261 PolarHBondContact N-O 3.36Å; F180-C261 PolarHBondContact O-N 2.89Å; F180-V263 HydrophobicContact CD2-CG2 4.27Å; F180-V263 HydrophobicContact CE2-CB 4.13Å; F180-V263 HydrophobicContact CE2-CG2 3.78Å; F180-L272 HydrophobicContact CE1-CD1 3.65Å; F180-L272 HydrophobicContact CE1-CD2 3.76Å; F180-L272 HydrophobicContact CE1-CG 4.41Å; F180-L272 HydrophobicContact CZ-CD1 4.17Å; F180-L272 HydrophobicContact CZ-CD2 4.1Å
181	G	98.8	Very high	98.4	Very high	1 Å²	1	15 Å²	15	1%	0.01	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.3	167.7	0	0	0	0	0	109.5	S170 E259	S170-G181 PolarHBondContact N-O 3.34Å; S170-G181 PolarHBondContact O-N 2.97Å; S170-G181 PolarHBondContact OG-O 2.98Å; G181-E259 WeakPolarHBondContact CA-O 3.34Å
182	N	98.9	Very high	98.4	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.011	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.7	177.2	-169.5	41.2	0	0	0	111.9	V168 G184 S186 T200 E201 H203 P258 E259	V168-N182 CarbonylContact O-C 3.58Å; V168-N182 WeakPolarHBondContact O-CA 3.33Å; V168-N182 PolarHBondContact O-OD1 3.28Å; N182-G184 PolarHBondContact ND2-O 3.49Å; N182-G184 VanDerWaalsContact ND2-O 3.12Å; N182-S186 PolarHBondContact OD1-O 3.37Å; N182-T200 HydrophobicContact CB-CG2 3.96Å; N182-E201 PolarHBondContact ND2-O 3.39Å; N182-H203 PolarHBondContact ND2-ND1 3.37Å; N182-H203 PolarHBondContact O-CE1 2.68Å; N182-P258 CarbonylContact O-C 3.46Å; N182-P258 VanDerWaalsContact O-CA 3.24Å; N182-P258 WeakPolarHBondContact O-CA 3.17Å; N182-E259 PolarHBondContact N-O 3.4Å; N182-E259 PolarHBondContact O-N 2.97Å
183	C	98.9	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	92.7	177.2	-170.5	0	0	0	0	108.5	F145 T167 V168 P256 P258	F145-C183 HydrophobicContact CD1-CB 4Å; F145-C183 HydrophobicContact CE1-CB 3.58Å; T167-C183 CarbonylContact C-O 3.58Å; T167-C183 WeakPolarHBondContact CA-O 3.46Å; T167-C183 WeakPolarHBondContact CB-O 3.16Å; V168-C183 PolarHBondContact N-O 2.94Å; V168-C183 PolarHBondContact O-N 3.39Å; C183-P256 PolarHBondContact SG-O 2.91Å; C183-P258 HydrophobicContact CB-CB 4.3Å
184	G	98.8	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	119	-154.7	-173	0	0	0	0	0	112.2	N182 H203 R234	N182-G184 PolarHBondContact ND2-O 3.49Å; N182-G184 VanDerWaalsContact ND2-O 3.12Å; G184-H203 PolarHBondContact N-ND1 2.88Å; G184-H203 WeakPolarHBondContact O-CB 3.37Å; G184-H203 PolarHBondContact O-N 3.11Å; G184-H203 PolarHBondContact O-ND1 2.6Å; G184-H203 VanDerWaalsContact O-ND1 3.16Å; G184-R234 WeakPolarHBondContact CA-O 2.98Å; G184-R234 PolarHBondContact N-O 3.29Å
185	D	98.6	Very high	98.1	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	15%	0.145	C	C	.	.	S	Bend	trans	-117.8	10.2	-172.9	59.4	-6.3	0	0	0	114.8	T167 D202 K204 V232	T167-D185 WeakPolarHBondContact CG2-OD1 3.43Å; D185-D202 HydrophobicContact CB-CB 4.07Å; D185-K204 HydrophobicContact CB-CD 4.02Å; D185-K204 VanDerWaalsContact CB-CE 3.47Å; D185-K204 VanDerWaalsContact CB-NZ 3.33Å; D185-K204 IonicContact OD2-NZ 3.59Å; D185-K204 PolarHBondContact OD2-NZ 2.95Å; D185-V232 HydrophobicContact CB-CG1 4.4Å; D185-V232 WeakPolarHBondContact OD1-CG1 3.38Å; D185-V232 VanDerWaalsContact OD2-CG1 3.28Å; D185-V232 WeakPolarHBondContact OD2-CG1 3.33Å
186	S	98.9	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.			trans	-60.7	154	149.9	-68.6	0	0	0	0	109.8	T167 N182 A275	T167-S186 PolarHBondContact OG1-OG 3.01Å; N182-S186 PolarHBondContact OD1-O 3.37Å; S186-A275 WeakPolarHBondContact CA-O 3.34Å
187	R	98.9	Very high	98.3	Very high	41 Å²	41	24.9 Å²	24.9	16%	0.155	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.4	-174	-163	-172	-60.2	150.3	8.9	113.2	T200 D202 A275 W280 N285	R187-T200 WeakPolarHBondContact CA-OG1 3.48Å; R187-T200 WeakPolarHBondContact CG-O 3.33Å; R187-T200 WeakPolarHBondContact CG-OG1 3.34Å; R187-D202 IonicContact CZ-OD1 2.89Å; R187-D202 IonicContact CZ-OD2 3.77Å; R187-D202 IonicContact NE-OD1 3.85Å; R187-D202 PolarHBondContact NE-OD1 2.69Å; R187-D202 IonicContact NE-OD2 3.41Å; R187-D202 VanDerWaalsContact NH2-CG 3.27Å; R187-D202 IonicContact NH2-OD1 3.91Å; R187-D202 PolarHBondContact NH2-OD1 3Å; R187-D202 IonicContact NH2-OD2 3.69Å; R187-D202 PolarHBondContact NH2-OD2 3.19Å; R187-A275 PolarHBondContact N-O 2.98Å; R187-A275 PolarHBondContact O-N 3.35Å; R187-W280 HydrophobicContact CB-CD2 4.16Å; R187-W280 HydrophobicContact CB-CG 4.08Å; R187-W280 HydrophobicContact CB-CZ2 4.34Å; R187-W280 WeakPolarHBondContact O-CZ2 3.45Å; R187-W280 PolarHBondContact O-NE1 3.07Å; R187-N285 PolarHBondContact NH1-OD1 2.99Å
188	A	98.9	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.1	170.4	0	0	0	0	0	110.5	V169 F180 S199 T200 L272 V273 L274	V169-A188 HydrophobicContact CG2-CB 3.63Å; F180-A188 HydrophobicContact CD1-CB 3.83Å; F180-A188 HydrophobicContact CE1-CB 3.95Å; A188-S199 CarbonylContact O-C 3.46Å; A188-S199 WeakPolarHBondContact O-CA 3.14Å; A188-T200 HydrophobicContact CB-CG2 4.01Å; A188-T200 PolarHBondContact N-OG1 3.13Å; A188-T200 PolarHBondContact O-N 2.71Å; A188-L272 HydrophobicContact CB-CD1 4.2Å; A188-V273 CarbonylContact C-O 3.54Å; A188-V273 WeakPolarHBondContact CA-O 3.43Å; A188-L274 HydrophobicContact CB-CD1 4.49Å; A188-L274 HydrophobicContact CB-CG 4.13Å
189	V	98.9	Very high	98.3	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.024	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120.3	178.8	174.5	0	0	0	0	110	V196 F198 L272 V273 W280 N285	V189-V196 HydrophobicContact CG1-CB 4.5Å; V189-V196 HydrophobicContact CG1-CG1 3.96Å; V189-V196 HydrophobicContact CG1-CG2 3.99Å; V189-F198 WeakPolarHBondContact CA-O 3.47Å; V189-L272 WeakPolarHBondContact O-CA 3.42Å; V189-L272 WeakPolarHBondContact O-CD1 3.43Å; V189-V273 PolarHBondContact N-O 2.89Å; V189-V273 PolarHBondContact O-N 3.38Å; V189-W280 HydrophobicContact CB-CH2 3.87Å; V189-W280 HydrophobicContact CG2-CH2 3.36Å; V189-W280 HydrophobicContact CG2-CZ2 4.01Å; V189-W280 HydrophobicContact CG2-CZ3 3.81Å; V189-N285 HydrophobicContact CG2-CB 4.2Å
190	L	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.8	174.9	-179.2	65.7	0	0	0	110	I178 F180 C197 F198 V263 L272 F329	I178-L190 HydrophobicContact CD1-CD1 3.93Å; I178-L190 HydrophobicContact CD1-CD2 3.9Å; F180-L190 HydrophobicContact CZ-CB 4.44Å; L190-C197 WeakPolarHBondContact CD2-SG 3.34Å; L190-C197 WeakPolarHBondContact CG-SG 3.23Å; L190-C197 PolarHBondContact O-N 3.21Å; L190-C197 PolarHBondContact O-SG 3Å; L190-C197 VanDerWaalsContact O-SG 3.37Å; L190-F198 HydrophobicContact CB-CB 4.21Å; L190-F198 PolarHBondContact N-O 2.64Å; L190-V263 HydrophobicContact CD2-CG1 3.97Å; L190-L272 HydrophobicContact CB-CD1 4.44Å; L190-L272 HydrophobicContact CD1-CB 3.99Å; L190-F329 HydrophobicContact CD1-CE2 3.69Å; L190-F329 HydrophobicContact CD1-CZ 4.36Å
191	C	98.8	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.7	171.4	179.2	0	0	0	0	110.8	Q195 E270 F271 C289	C191-Q195 WeakPolarHBondContact CA-O 3.48Å; C191-E270 HydrophobicContact CB-CB 4.46Å; C191-E270 PolarHBondContact O-N 2.75Å; C191-E270 PolarHBondContact SG-OE2 3.23Å; C191-E270 VanDerWaalsContact SG-OE2 3.41Å; C191-F271 HydrophobicContact CB-CD1 3.98Å; C191-F271 HydrophobicContact CB-CD2 3.77Å; C191-F271 HydrophobicContact CB-CE1 3.64Å; C191-F271 HydrophobicContact CB-CE2 3.42Å; C191-F271 VanDerWaalsContact CB-CE2 3.42Å; C191-F271 HydrophobicContact CB-CG 4.03Å; C191-F271 HydrophobicContact CB-CZ 3.34Å; C191-F271 PolarHBondContact N-O 2.92Å; C191-F271 VanDerWaalsContact SG-CE1 3.57Å; C191-C289 PolarHBondContact SG-SG 3.14Å
192	R	98.1	Very high	98.3	Very high	70 Å²	70	32.5 Å²	32.5	26%	0.264	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.6	173.5	-179.2	179	-69.1	-178.3	-2.4	108.6	G194 Q195 C197 E264 M268 D269	R192-G194 VanDerWaalsContact C-N 3.32Å; R192-G194 PolarHBondContact O-N 3.14Å; R192-Q195 PolarHBondContact N-O 3.47Å; R192-Q195 PolarHBondContact O-N 3.19Å; R192-C197 HydrophobicContact CB-CB 3.81Å; R192-E264 PolarHBondContact NH2-O 3.09Å; R192-M268 WeakPolarHBondContact CA-O 3.46Å; R192-M268 HydrophobicContact CG-CB 3.87Å; R192-M268 WeakPolarHBondContact CG-O 3.35Å; R192-D269 IonicContact CZ-OD1 3.38Å; R192-D269 IonicContact NE-OD1 2.68Å; R192-D269 PolarHBondContact NE-OD1 3.22Å; R192-D269 IonicContact NH2-OD1 3.27Å; R192-D269 PolarHBondContact NH2-OD1 3.28Å; R192-D269 IonicContact NH2-OD2 3.42Å; R192-D269 PolarHBondContact NH2-OD2 3.29Å
193	S	95.9	Very high	98.3	Very high	64 Å²	64	32.8 Å²	32.8	45%	0.448	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	45.6	-180	-51.2	0	0	0	0	113.6	Q195 M268 E270	S193-Q195 PolarHBondContact O-N 3.23Å; S193-M268 PolarHBondContact N-O 2.88Å; S193-M268 WeakPolarHBondContact OG-CE 3.44Å; S193-E270 VanDerWaalsContact C-OE1 3.32Å; S193-E270 WeakPolarHBondContact CA-OE1 3.35Å; S193-E270 PolarHBondContact N-OE1 2.96Å
194	G	95.2	Very high	98.2	Very high	30 Å²	30	34 Å²	34	31%	0.309	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	9.7	179.2	0	0	0	0	0	115.5	R192 E270	R192-G194 VanDerWaalsContact C-N 3.32Å; R192-G194 PolarHBondContact O-N 3.14Å; G194-E270 VanDerWaalsContact N-CD 3.29Å; G194-E270 PolarHBondContact N-OE1 2.99Å; G194-E270 PolarHBondContact N-OE2 2.86Å
195	Q	97.4	Very high	98.2	Very high	146 Å²	146	34 Å²	34	68%	0.682	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.1	-178	-62.9	-171.5	-12.6	0	0	112.1	C191 R192 S193 C197	C191-Q195 WeakPolarHBondContact CA-O 3.48Å; R192-Q195 PolarHBondContact N-O 3.47Å; R192-Q195 PolarHBondContact O-N 3.19Å; S193-Q195 PolarHBondContact O-N 3.23Å; Q195-C197 PolarHBondContact O-N 2.87Å; Q195-C197 VanDerWaalsContact O-N 3.16Å
196	V	98.5	Very high	98.1	Very high	38 Å²	38	39.3 Å²	39.3	23%	0.23	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	112.9	169.7	177.8	0	0	0	0	108.4	V189 N285 E286 C289	V189-V196 HydrophobicContact CG1-CB 4.5Å; V189-V196 HydrophobicContact CG1-CG1 3.96Å; V189-V196 HydrophobicContact CG1-CG2 3.99Å; V196-N285 HydrophobicContact CG1-CB 4.42Å; V196-N285 HydrophobicContact CG2-CB 4.06Å; V196-E286 HydrophobicContact CG2-CG 4.44Å; V196-C289 HydrophobicContact CG2-CB 3.69Å
197	C	97.3	Very high	98	Very high	58 Å²	58	40.9 Å²	40.9	39%	0.392	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-21.7	178	72.4	0	0	0	0	113.3	L190 R192 Q195	L190-C197 WeakPolarHBondContact CD2-SG 3.34Å; L190-C197 WeakPolarHBondContact CG-SG 3.23Å; L190-C197 PolarHBondContact O-N 3.21Å; L190-C197 PolarHBondContact O-SG 3Å; L190-C197 VanDerWaalsContact O-SG 3.37Å; R192-C197 HydrophobicContact CB-CB 3.81Å; Q195-C197 PolarHBondContact O-N 2.87Å; Q195-C197 VanDerWaalsContact O-N 3.16Å
198	F	98.8	Very high	98	Very high	41 Å²	41	44.2 Å²	44.2	18%	0.18	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	144	176.1	173.9	-94.1	0	0	0	110	F180 V189 L190 T200 C261 V263	F180-F198 HydrophobicContact CB-CE1 4.22Å; F180-F198 AromaticContact CD1-CE1 3.94Å; F180-F198 HydrophobicContact CD1-CE1 3.94Å; F180-F198 AromaticContact CD2-CD1 3.9Å; F180-F198 HydrophobicContact CD2-CD1 3.9Å; F180-F198 AromaticContact CD2-CE1 3.38Å; F180-F198 HydrophobicContact CD2-CE1 3.38Å; F180-F198 AromaticContact CD2-CZ 3.97Å; F180-F198 HydrophobicContact CD2-CZ 3.97Å; F180-F198 HydrophobicContact CE1-CD1 4.22Å; F180-F198 HydrophobicContact CE1-CE1 4.1Å; F180-F198 AromaticContact CE2-CD1 3.55Å; F180-F198 HydrophobicContact CE2-CD1 3.55Å; F180-F198 AromaticContact CE2-CE1 3.56Å; F180-F198 HydrophobicContact CE2-CE1 3.56Å; F180-F198 HydrophobicContact CE2-CG 4.44Å; F180-F198 HydrophobicContact CE2-CZ 4.44Å; F180-F198 HydrophobicContact CG-CD1 4.36Å; F180-F198 AromaticContact CG-CE1 3.57Å; F180-F198 HydrophobicContact CG-CE1 3.57Å; F180-F198 HydrophobicContact CG-CZ 4.24Å; F180-F198 AromaticContact CZ-CD1 3.72Å; F180-F198 HydrophobicContact CZ-CD1 3.72Å; F180-F198 AromaticContact CZ-CE1 3.91Å; F180-F198 HydrophobicContact CZ-CE1 3.91Å; V189-F198 WeakPolarHBondContact CA-O 3.47Å; L190-F198 HydrophobicContact CB-CB 4.21Å; L190-F198 PolarHBondContact N-O 2.64Å; F198-T200 HydrophobicContact CE1-CG2 3.99Å; F198-T200 HydrophobicContact CZ-CG2 4.25Å; F198-C261 HydrophobicContact CE1-CB 4.49Å; F198-C261 HydrophobicContact CE2-CB 3.77Å; F198-C261 HydrophobicContact CZ-CB 3.44Å; F198-C261 VanDerWaalsContact CZ-CB 3.44Å; F198-V263 HydrophobicContact CB-CG2 4.19Å; F198-V263 HydrophobicContact CD1-CG2 4.2Å; F198-V263 HydrophobicContact CD2-CG2 3.84Å; F198-V263 HydrophobicContact CE2-CG2 4.32Å; F198-V263 HydrophobicContact CG-CG2 3.79Å
199	S	98.8	Very high	97.9	Very high	29 Å²	29	50.2 Å²	50.2	20%	0.203	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148	166.1	57.5	0	0	0	0	110.3	A188 N285	A188-S199 CarbonylContact O-C 3.46Å; A188-S199 WeakPolarHBondContact O-CA 3.14Å; S199-N285 PolarHBondContact OG-ND2 3.36Å
200	T	98.9	Very high	97.9	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.043	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.2	151.5	167.4	54.8	0	0	0	0	110.3	F180 N182 R187 A188 F198	F180-T200 HydrophobicContact CB-CG2 4.03Å; F180-T200 HydrophobicContact CD1-CG2 4.35Å; F180-T200 HydrophobicContact CG-CG2 4.41Å; N182-T200 HydrophobicContact CB-CG2 3.96Å; R187-T200 WeakPolarHBondContact CA-OG1 3.48Å; R187-T200 WeakPolarHBondContact CG-O 3.33Å; R187-T200 WeakPolarHBondContact CG-OG1 3.34Å; A188-T200 HydrophobicContact CB-CG2 4.01Å; A188-T200 PolarHBondContact N-OG1 3.13Å; A188-T200 PolarHBondContact O-N 2.71Å; F198-T200 HydrophobicContact CE1-CG2 3.99Å; F198-T200 HydrophobicContact CZ-CG2 4.25Å
201	E	98.3	Very high	97.9	Very high	124 Å²	124	54.5 Å²	54.5	58%	0.579	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-91.2	136.5	175.2	-66.1	-64.2	149.2	0	0	110.9	N182	N182-E201 PolarHBondContact ND2-O 3.39Å
202	D	98.6	Very high	97.8	Very high	25 Å²	25	60.3 Å²	60.3	13%	0.134	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-75.7	136.1	179.9	-66.4	10.5	0	0	0	111.7	D185 R187 K204	D185-D202 HydrophobicContact CB-CB 4.07Å; R187-D202 IonicContact CZ-OD1 2.89Å; R187-D202 IonicContact CZ-OD2 3.77Å; R187-D202 IonicContact NE-OD1 3.85Å; R187-D202 PolarHBondContact NE-OD1 2.69Å; R187-D202 IonicContact NE-OD2 3.41Å; R187-D202 VanDerWaalsContact NH2-CG 3.27Å; R187-D202 IonicContact NH2-OD1 3.91Å; R187-D202 PolarHBondContact NH2-OD1 3Å; R187-D202 IonicContact NH2-OD2 3.69Å; R187-D202 PolarHBondContact NH2-OD2 3.19Å; D202-K204 HydrophobicContact CB-CG 4.11Å; D202-K204 PolarHBondContact O-N 3.35Å; D202-K204 VanDerWaalsContact O-N 3.14Å
203	H	98.6	Very high	97.9	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.032	31%	0.309	C	S	.	.			trans	-89.3	82.7	177.7	-63	102.9	0	0	0	111.6	N182 G184 S233 R234 E259	N182-H203 PolarHBondContact ND2-ND1 3.37Å; N182-H203 PolarHBondContact O-CE1 2.68Å; G184-H203 PolarHBondContact N-ND1 2.88Å; G184-H203 WeakPolarHBondContact O-CB 3.37Å; G184-H203 PolarHBondContact O-N 3.11Å; G184-H203 PolarHBondContact O-ND1 2.6Å; G184-H203 VanDerWaalsContact O-ND1 3.16Å; H203-S233 WeakPolarHBondContact CB-OG 3.33Å; H203-S233 PolarHBondContact O-N 2.53Å; H203-S233 PolarHBondContact O-OG 3.25Å; H203-R234 HydrophobicContact CB-CB 3.87Å; H203-R234 HydrophobicContact CB-CG 3.79Å; H203-R234 VanDerWaalsContact CD2-CD 3.41Å; H203-R234 WeakPolarHBondContact CD2-CD 3.37Å; H203-R234 VanDerWaalsContact CD2-CZ 3.46Å; H203-R234 PolarHBondContact CD2-NE 3.25Å; H203-R234 VanDerWaalsContact NE2-CZ 3.34Å; H203-R234 PolarHBondContact NE2-NH1 3.34Å; H203-E259 IonicContact NE2-OE2 2.78Å
204	K	98.1	Very high	98	Very high	27 Å²	27	55.2 Å²	55.2	12%	0.117	29%	0.288	C	S	.	.			trans	-96.3	140.9	178.7	-58.6	-69	-174	177.7	0	111.6	D185 D202 Y206 S207	D185-K204 HydrophobicContact CB-CD 4.02Å; D185-K204 VanDerWaalsContact CB-CE 3.47Å; D185-K204 VanDerWaalsContact CB-NZ 3.33Å; D185-K204 IonicContact OD2-NZ 3.59Å; D185-K204 PolarHBondContact OD2-NZ 2.95Å; D202-K204 HydrophobicContact CB-CG 4.11Å; D202-K204 PolarHBondContact O-N 3.35Å; D202-K204 VanDerWaalsContact O-N 3.14Å; K204-Y206 HydrophobicContact CB-CD1 3.95Å; K204-Y206 HydrophobicContact CB-CD2 4.46Å; K204-Y206 HydrophobicContact CB-CE1 3.53Å; K204-Y206 HydrophobicContact CB-CE2 4.04Å; K204-Y206 HydrophobicContact CB-CG 4.43Å; K204-Y206 HydrophobicContact CD-CE1 4.4Å; K204-Y206 HydrophobicContact CG-CE1 4.03Å; K204-Y206 PolarHBondContact O-N 2.81Å; K204-S207 VanDerWaalsContact O-CB 3.3Å; K204-S207 WeakPolarHBondContact O-CB 3.48Å; K204-S207 PolarHBondContact O-N 3.37Å; K204-S207 PolarHBondContact O-OG 3.16Å
205	P	98.4	Very high	98.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.9	-179.1	-29.7	36.2	0	0	0	115.2	S207 K211 I214 V221 Q224 I226 A231	P205-S207 VanDerWaalsContact C-N 3.34Å; P205-K211 WeakPolarHBondContact O-CA 3.19Å; P205-K211 WeakPolarHBondContact O-CB 3.37Å; P205-K211 PolarHBondContact O-N 3.45Å; P205-I214 HydrophobicContact CB-CD1 3.92Å; P205-V221 HydrophobicContact CB-CG1 4.02Å; P205-V221 HydrophobicContact CB-CG2 4.26Å; P205-V221 WeakPolarHBondContact O-CG2 3.25Å; P205-Q224 WeakPolarHBondContact CG-O 3.18Å; P205-I226 HydrophobicContact CB-CG1 3.97Å; P205-I226 HydrophobicContact CG-CG1 3.88Å; P205-A231 WeakPolarHBondContact CD-O 3.47Å; P205-A231 WeakPolarHBondContact CG-O 3.36Å
206	Y	96.3	Very high	98.2	Very high	114 Å²	114	54.1 Å²	54.1	45%	0.447	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.7	-179.5	56.4	-96.5	0	0	0	114	K204 Q224	K204-Y206 HydrophobicContact CB-CD1 3.95Å; K204-Y206 HydrophobicContact CB-CD2 4.46Å; K204-Y206 HydrophobicContact CB-CE1 3.53Å; K204-Y206 HydrophobicContact CB-CE2 4.04Å; K204-Y206 HydrophobicContact CB-CG 4.43Å; K204-Y206 HydrophobicContact CD-CE1 4.4Å; K204-Y206 HydrophobicContact CG-CE1 4.03Å; K204-Y206 PolarHBondContact O-N 2.81Å; Y206-Q224 HydrophobicContact CD1-CB 3.55Å; Y206-Q224 HydrophobicContact CD1-CG 3.64Å; Y206-Q224 HydrophobicContact CE1-CB 3.93Å; Y206-Q224 HydrophobicContact CE1-CG 3.98Å; Y206-Q224 HydrophobicContact CG-CG 4.36Å
207	S	97.4	Very high	98.1	Very high	34 Å²	34	52.8 Å²	52.8	24%	0.238	27%	0.274	C	S	.	.	S	Bend	trans	-63.7	140.1	174	-65.5	0	0	0	0	110.2	K204 P205 L209 E210 K211	K204-S207 VanDerWaalsContact O-CB 3.3Å; K204-S207 WeakPolarHBondContact O-CB 3.48Å; K204-S207 PolarHBondContact O-N 3.37Å; K204-S207 PolarHBondContact O-OG 3.16Å; P205-S207 VanDerWaalsContact C-N 3.34Å; S207-L209 PolarHBondContact O-N 2.9Å; S207-E210 PolarHBondContact O-N 2.83Å; S207-E210 VanDerWaalsContact O-N 3.12Å; S207-K211 WeakPolarHBondContact O-CB 3.23Å; S207-K211 PolarHBondContact O-N 2.92Å
208	P	97.4	Very high	98.1	Very high	110 Å²	110	53.1 Å²	53.1	71%	0.714	29%	0.287	S	S	*	.	H	α-helix	trans	-53.4	-50	-167.5	-29.9	35.5	0	0	0	115.3	E212	P208-E212 WeakPolarHBondContact O-CB 3.24Å; P208-E212 PolarHBondContact O-N 2.94Å
209	L	97.4	Very high	98.1	Very high	127 Å²	127	51.8 Å²	51.8	67%	0.665	29%	0.285	S	S	*	.	H	α-helix	trans	-70	-35.6	-179.2	-62.3	178.8	0	0	0	112.3	S207 R213	S207-L209 PolarHBondContact O-N 2.9Å; L209-R213 PolarHBondContact O-N 3.37Å
210	E	98.6	Very high	98	Very high	11 Å²	11	52.7 Å²	52.7	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-45.9	178	-57.9	-59.1	109.9	0	0	110.4	S207 E212 R213 I214 S233 R234	S207-E210 PolarHBondContact O-N 2.83Å; S207-E210 VanDerWaalsContact O-N 3.12Å; E210-E212 PolarHBondContact O-N 2.94Å; E210-R213 PolarHBondContact O-N 3.49Å; E210-R213 IonicContact OE1-NH1 2.9Å; E210-R213 IonicContact OE2-CZ 3.48Å; E210-R213 IonicContact OE2-NH1 3.61Å; E210-R213 PolarHBondContact OE2-NH1 3.04Å; E210-R213 IonicContact OE2-NH2 2.71Å; E210-R213 PolarHBondContact OE2-NH2 2.88Å; E210-I214 VanDerWaalsContact O-CD1 3.28Å; E210-I214 WeakPolarHBondContact O-CD1 3.45Å; E210-I214 WeakPolarHBondContact O-CG1 3.32Å; E210-I214 PolarHBondContact O-N 2.86Å; E210-S233 VanDerWaalsContact CD-OG 3.32Å; E210-S233 VanDerWaalsContact CG-OG 3.28Å; E210-S233 WeakPolarHBondContact CG-OG 3.47Å; E210-S233 VanDerWaalsContact OE2-CB 3.3Å; E210-S233 WeakPolarHBondContact OE2-CB 3.46Å; E210-S233 PolarHBondContact OE2-OG 2.92Å; E210-R234 IonicContact OE1-CZ 3.84Å; E210-R234 IonicContact OE1-NE 2.68Å; E210-R234 PolarHBondContact OE1-NE 2.77Å; E210-R234 VanDerWaalsContact OE1-NE 3.16Å; E210-R234 IonicContact OE1-NH2 3.91Å; E210-R234 PolarHBondContact OE1-NH2 2.82Å; E210-R234 VanDerWaalsContact OE2-CG 3.24Å; E210-R234 WeakPolarHBondContact OE2-CG 3.18Å; E210-R234 IonicContact OE2-NE 2.73Å; E210-R234 PolarHBondContact OE2-NE 2.84Å; E210-R234 VanDerWaalsContact OE2-NE 3.09Å
211	K	98.4	Very high	97.9	Very high	83 Å²	83	53.8 Å²	53.8	36%	0.361	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-46.7	175.7	-179.3	173.7	176.6	-178.4	0	111.7	P205 S207 R213 I214 E215 V221	P205-K211 WeakPolarHBondContact O-CA 3.19Å; P205-K211 WeakPolarHBondContact O-CB 3.37Å; P205-K211 PolarHBondContact O-N 3.45Å; S207-K211 WeakPolarHBondContact O-CB 3.23Å; S207-K211 PolarHBondContact O-N 2.92Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-R213 PolarHBondContact O-N 2.95Å; K211-I214 PolarHBondContact O-N 2.94Å; K211-E215 WeakPolarHBondContact CE-OE1 3.35Å; K211-E215 HydrophobicContact CG-CG 4.37Å; K211-E215 IonicContact NZ-OE1 3.77Å; K211-E215 WeakPolarHBondContact O-CG 3.16Å; K211-E215 PolarHBondContact O-N 2.93Å; K211-V221 HydrophobicContact CB-CG2 4.27Å; K211-V221 HydrophobicContact CG-CB 4.37Å; K211-V221 HydrophobicContact CG-CG2 3.91Å
212	E	98.4	Very high	97.8	Very high	121 Å²	121	50.7 Å²	50.7	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-58.8	-44.4	177.1	-177.8	179.7	-175	0	0	111.5	P208 E210 S216	P208-E212 WeakPolarHBondContact O-CB 3.24Å; P208-E212 PolarHBondContact O-N 2.94Å; E210-E212 PolarHBondContact O-N 2.94Å; E212-S216 WeakPolarHBondContact O-CB 3.19Å; E212-S216 PolarHBondContact O-N 3.17Å; E212-S216 PolarHBondContact O-OG 2.79Å
213	R	98.6	Very high	97.6	Very high	28 Å²	28	57 Å²	57	11%	0.106	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-46.7	175.5	-172.9	-160.4	66.1	-134.7	-7	111.5	L209 E210 K211 S216 A217 S233 S250 Q252 M253 S255	L209-R213 PolarHBondContact O-N 3.37Å; E210-R213 PolarHBondContact O-N 3.49Å; E210-R213 IonicContact OE1-NH1 2.9Å; E210-R213 IonicContact OE2-CZ 3.48Å; E210-R213 IonicContact OE2-NH1 3.61Å; E210-R213 PolarHBondContact OE2-NH1 3.04Å; E210-R213 IonicContact OE2-NH2 2.71Å; E210-R213 PolarHBondContact OE2-NH2 2.88Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-R213 PolarHBondContact O-N 2.95Å; R213-S216 PolarHBondContact O-N 2.92Å; R213-A217 WeakPolarHBondContact O-CB 3.37Å; R213-A217 PolarHBondContact O-N 3.47Å; R213-S233 PolarHBondContact NH2-O 3.1Å; R213-S250 WeakPolarHBondContact CD-O 3.37Å; R213-Q252 WeakPolarHBondContact CD-O 3.5Å; R213-Q252 PolarHBondContact NE-O 3.47Å; R213-M253 PolarHBondContact NH2-O 2.92Å; R213-S255 VanDerWaalsContact NH1-CB 3.31Å
214	I	98.7	Very high	97.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.4	-49.5	-179.6	-69.7	155.5	0	0	0	111.2	P205 E210 K211 S216 A217 G218 G219 V221 I226 M253	P205-I214 HydrophobicContact CB-CD1 3.92Å; E210-I214 VanDerWaalsContact O-CD1 3.28Å; E210-I214 WeakPolarHBondContact O-CD1 3.45Å; E210-I214 WeakPolarHBondContact O-CG1 3.32Å; E210-I214 PolarHBondContact O-N 2.86Å; K211-I214 PolarHBondContact O-N 2.94Å; I214-S216 VanDerWaalsContact C-N 3.35Å; I214-A217 PolarHBondContact O-N 3.15Å; I214-G218 PolarHBondContact O-N 3.04Å; I214-G219 WeakPolarHBondContact O-CA 3.4Å; I214-G219 PolarHBondContact O-N 3.25Å; I214-V221 HydrophobicContact CB-CG2 4.27Å; I214-V221 HydrophobicContact CD1-CG2 3.89Å; I214-V221 HydrophobicContact CG2-CG2 3.99Å; I214-I226 HydrophobicContact CD1-CD1 3.82Å; I214-I226 HydrophobicContact CD1-CG1 3.71Å; I214-I226 HydrophobicContact CG1-CD1 3.99Å; I214-I226 HydrophobicContact CG1-CG1 4.18Å; I214-I226 HydrophobicContact CG2-CG2 4.1Å; I214-M253 VanDerWaalsContact CG1-O 3.27Å; I214-M253 WeakPolarHBondContact CG1-O 3.44Å
215	E	98.1	Very high	97.3	Very high	98 Å²	98	66.7 Å²	66.7	46%	0.458	36%	0.364	S	S	.	.	H	α-helix	trans	-65.9	-39.4	179.7	-69.8	177.6	166.5	0	0	111.3	K211 A217 G218	K211-E215 WeakPolarHBondContact CE-OE1 3.35Å; K211-E215 HydrophobicContact CG-CG 4.37Å; K211-E215 IonicContact NZ-OE1 3.77Å; K211-E215 WeakPolarHBondContact O-CG 3.16Å; K211-E215 PolarHBondContact O-N 2.93Å; E215-A217 VanDerWaalsContact C-N 3.28Å; E215-A217 PolarHBondContact O-N 3.2Å; E215-G218 PolarHBondContact O-N 2.79Å
216	S	97.8	Very high	97.3	Very high	54 Å²	54	66.7 Å²	66.7	38%	0.378	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-35.7	173.3	-69.4	0	0	0	0	112.6	E212 R213 I214 G218 R247	E212-S216 WeakPolarHBondContact O-CB 3.19Å; E212-S216 PolarHBondContact O-N 3.17Å; E212-S216 PolarHBondContact O-OG 2.79Å; R213-S216 PolarHBondContact O-N 2.92Å; I214-S216 VanDerWaalsContact C-N 3.35Å; S216-G218 PolarHBondContact O-N 2.82Å; S216-R247 VanDerWaalsContact C-NH2 3.33Å; S216-R247 VanDerWaalsContact O-CZ 3.26Å; S216-R247 PolarHBondContact O-NE 3.5Å; S216-R247 PolarHBondContact O-NH2 3.2Å
217	A	98	Very high	97.3	Very high	10 Å²	10	64.8 Å²	64.8	8%	0.083	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	4.4	175.1	0	0	0	0	0	113.5	R213 I214 E215 A244 M253	R213-A217 WeakPolarHBondContact O-CB 3.37Å; R213-A217 PolarHBondContact O-N 3.47Å; I214-A217 PolarHBondContact O-N 3.15Å; E215-A217 VanDerWaalsContact C-N 3.28Å; E215-A217 PolarHBondContact O-N 3.2Å; A217-A244 HydrophobicContact CB-CB 4.21Å; A217-M253 HydrophobicContact CB-CB 4.46Å; A217-M253 HydrophobicContact CB-CG 3.65Å; A217-M253 WeakPolarHBondContact O-CE 3.4Å
218	G	97.3	Very high	97.1	Very high	65 Å²	65	65 Å²	65	67%	0.67	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	9.9	179.4	0	0	0	0	0	114.2	I214 E215 S216	I214-G218 PolarHBondContact O-N 3.04Å; E215-G218 PolarHBondContact O-N 2.79Å; S216-G218 PolarHBondContact O-N 2.82Å
219	G	97.2	Very high	97	Very high	13 Å²	13	63.1 Å²	63.1	13%	0.134	36%	0.358	C	S	.	.			trans	-89.6	-172.9	174.6	0	0	0	0	0	112.5	I214 N227	I214-G219 WeakPolarHBondContact O-CA 3.4Å; I214-G219 PolarHBondContact O-N 3.25Å; G219-N227 WeakPolarHBondContact CA-OD1 3.46Å
220	S	97.6	Very high	96.9	Very high	49 Å²	49	58 Å²	58	34%	0.343	33%	0.331	S	S	.	.			trans	-142.6	157.9	173.9	62.9	0	0	0	0	110.4	N227	S220-N227 PolarHBondContact N-OD1 2.87Å; S220-N227 PolarHBondContact O-N 3.3Å; S220-N227 PolarHBondContact O-OD1 3.38Å; S220-N227 PolarHBondContact OG-OD1 3.35Å; S220-N227 VanDerWaalsContact OG-OD1 3.14Å
221	V	97.8	Very high	96.8	Very high	29 Å²	29	59 Å²	59	18%	0.176	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.5	172.4	-178.3	0	0	0	0	108.6	P205 K211 I214 R225	P205-V221 HydrophobicContact CB-CG1 4.02Å; P205-V221 HydrophobicContact CB-CG2 4.26Å; P205-V221 WeakPolarHBondContact O-CG2 3.25Å; K211-V221 HydrophobicContact CB-CG2 4.27Å; K211-V221 HydrophobicContact CG-CB 4.37Å; K211-V221 HydrophobicContact CG-CG2 3.91Å; I214-V221 HydrophobicContact CB-CG2 4.27Å; I214-V221 HydrophobicContact CD1-CG2 3.89Å; I214-V221 HydrophobicContact CG2-CG2 3.99Å; V221-R225 WeakPolarHBondContact CA-O 3.37Å
222	S	95.5	Very high	96.8	Very high	59 Å²	59	55.4 Å²	55.4	41%	0.413	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.9	-178.1	-66.6	0	0	0	0	109.1	Q224 R225	S222-Q224 PolarHBondContact O-N 2.65Å; S222-R225 PolarHBondContact N-O 2.96Å; S222-R225 PolarHBondContact O-N 3.19Å; S222-R225 VanDerWaalsContact O-O 3.08Å
223	L	93.2	Very high	96.8	Very high	159 Å²	159	49.7 Å²	49.7	83%	0.832	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	43.7	-177.2	-56.5	175.9	0	0	0	112.4	R225	L223-R225 PolarHBondContact O-N 3.48Å; L223-R225 VanDerWaalsContact O-N 3.14Å
224	Q	94.4	Very high	96.8	Very high	126 Å²	126	50 Å²	50	59%	0.589	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	11	-177.5	-60.2	177.9	2.9	0	0	115.3	P205 Y206 S222	P205-Q224 WeakPolarHBondContact CG-O 3.18Å; Y206-Q224 HydrophobicContact CD1-CB 3.55Å; Y206-Q224 HydrophobicContact CD1-CG 3.64Å; Y206-Q224 HydrophobicContact CE1-CB 3.93Å; Y206-Q224 HydrophobicContact CE1-CG 3.98Å; Y206-Q224 HydrophobicContact CG-CG 4.36Å; S222-Q224 PolarHBondContact O-N 2.65Å
225	R	97.6	Very high	96.8	Very high	110 Å²	110	50 Å²	50	42%	0.415	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.3	-175.1	-67.7	170.2	178	-85.5	-8.3	112.4	V221 S222 L223 N227 G228 S229 L230 A231	V221-R225 WeakPolarHBondContact CA-O 3.37Å; S222-R225 PolarHBondContact N-O 2.96Å; S222-R225 PolarHBondContact O-N 3.19Å; S222-R225 VanDerWaalsContact O-O 3.08Å; L223-R225 PolarHBondContact O-N 3.48Å; L223-R225 VanDerWaalsContact O-N 3.14Å; R225-N227 PolarHBondContact O-N 3.2Å; R225-G228 PolarHBondContact O-N 3.28Å; R225-S229 WeakPolarHBondContact CD-O 3.43Å; R225-S229 PolarHBondContact NH1-O 3.46Å; R225-L230 CarbonylContact C-O 3.49Å; R225-L230 WeakPolarHBondContact CA-O 3.47Å; R225-L230 WeakPolarHBondContact CB-O 3.48Å; R225-A231 HydrophobicContact CG-CB 4.26Å
226	I	97.1	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	118.9	171.1	-56.3	-177.4	0	0	0	108.7	P205 I214 G228 S229 L230 V232 Y241 M253 V254	P205-I226 HydrophobicContact CB-CG1 3.97Å; P205-I226 HydrophobicContact CG-CG1 3.88Å; I214-I226 HydrophobicContact CD1-CD1 3.82Å; I214-I226 HydrophobicContact CD1-CG1 3.71Å; I214-I226 HydrophobicContact CG1-CD1 3.99Å; I214-I226 HydrophobicContact CG1-CG1 4.18Å; I214-I226 HydrophobicContact CG2-CG2 4.1Å; I226-G228 PolarHBondContact O-N 2.95Å; I226-G228 VanDerWaalsContact O-N 3.09Å; I226-S229 PolarHBondContact O-N 2.81Å; I226-L230 HydrophobicContact CB-CB 4.35Å; I226-L230 PolarHBondContact N-O 3.33Å; I226-L230 PolarHBondContact O-N 2.92Å; I226-V232 WeakPolarHBondContact CD1-O 3.4Å; I226-Y241 HydrophobicContact CB-CE1 4.29Å; I226-Y241 HydrophobicContact CG2-CD1 3.81Å; I226-Y241 HydrophobicContact CG2-CE1 3.79Å; I226-M253 WeakPolarHBondContact CD1-O 3.1Å; I226-M253 HydrophobicContact CG2-CB 4.22Å; I226-M253 HydrophobicContact CG2-SD 4.31Å; I226-V254 HydrophobicContact CD1-CG2 3.72Å
227	N	96.4	Very high	96.9	Very high	75 Å²	75	42.7 Å²	42.7	40%	0.401	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	30.8	-176	-59.6	-27.8	0	0	0	112.8	G219 S220 R225 S229	G219-N227 WeakPolarHBondContact CA-OD1 3.46Å; S220-N227 PolarHBondContact N-OD1 2.87Å; S220-N227 PolarHBondContact O-N 3.3Å; S220-N227 PolarHBondContact O-OD1 3.38Å; S220-N227 PolarHBondContact OG-OD1 3.35Å; S220-N227 VanDerWaalsContact OG-OD1 3.14Å; R225-N227 PolarHBondContact O-N 3.2Å; N227-S229 PolarHBondContact O-N 3.45Å
228	G	94.6	Very high	96.9	Very high	37 Å²	37	42.3 Å²	42.3	38%	0.381	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	3.7	-177.4	0	0	0	0	0	115.4	R225 I226	R225-G228 PolarHBondContact O-N 3.28Å; I226-G228 PolarHBondContact O-N 2.95Å; I226-G228 VanDerWaalsContact O-N 3.09Å
229	S	94.9	Very high	96.9	Very high	71 Å²	71	40 Å²	40	50%	0.497	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-65.5	-172.8	-178.4	0	0	0	0	113.2	R225 I226 N227 Y241	R225-S229 WeakPolarHBondContact CD-O 3.43Å; R225-S229 PolarHBondContact NH1-O 3.46Å; I226-S229 PolarHBondContact O-N 2.81Å; N227-S229 PolarHBondContact O-N 3.45Å; S229-Y241 WeakPolarHBondContact CB-OH 3.07Å; S229-Y241 PolarHBondContact OG-OH 2.7Å
230	L	95.5	Very high	96.7	Very high	20 Å²	20	43 Å²	43	11%	0.105	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-90.3	129.4	-170.2	-171.9	65	0	0	0	112	R225 I226 V232 Y241 V254	R225-L230 CarbonylContact C-O 3.49Å; R225-L230 WeakPolarHBondContact CA-O 3.47Å; R225-L230 WeakPolarHBondContact CB-O 3.48Å; I226-L230 HydrophobicContact CB-CB 4.35Å; I226-L230 PolarHBondContact N-O 3.33Å; I226-L230 PolarHBondContact O-N 2.92Å; L230-V232 HydrophobicContact CD1-CG2 3.9Å; L230-V232 HydrophobicContact CD2-CG2 4.01Å; L230-V232 HydrophobicContact CG-CG2 3.8Å; L230-Y241 HydrophobicContact CB-CE1 4.48Å; L230-Y241 HydrophobicContact CB-CE2 4.29Å; L230-Y241 HydrophobicContact CD2-CD2 4.13Å; L230-Y241 HydrophobicContact CD2-CE2 4.05Å; L230-V254 HydrophobicContact CD2-CG2 3.46Å; L230-V254 VanDerWaalsContact CD2-CG2 3.46Å
231	A	96.8	Very high	96.7	Very high	32 Å²	32	42.4 Å²	42.4	26%	0.264	24%	0.238	S	C	.	.	S	Bend	trans	-87.2	-8.6	-175.4	0	0	0	0	0	114.9	P205 R225	P205-A231 WeakPolarHBondContact CD-O 3.47Å; P205-A231 WeakPolarHBondContact CG-O 3.36Å; R225-A231 HydrophobicContact CG-CB 4.26Å
232	V	97.8	Very high	96.7	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.048	24%	0.236	C	C	.	.			trans	-108.6	146.6	177.3	-65.1	0	0	0	0	110.6	T167 D185 I226 L230 A235	T167-V232 HydrophobicContact CG2-CG1 3.89Å; D185-V232 HydrophobicContact CB-CG1 4.4Å; D185-V232 WeakPolarHBondContact OD1-CG1 3.38Å; D185-V232 VanDerWaalsContact OD2-CG1 3.28Å; D185-V232 WeakPolarHBondContact OD2-CG1 3.33Å; I226-V232 WeakPolarHBondContact CD1-O 3.4Å; L230-V232 HydrophobicContact CD1-CG2 3.9Å; L230-V232 HydrophobicContact CD2-CG2 4.01Å; L230-V232 HydrophobicContact CG-CG2 3.8Å; V232-A235 HydrophobicContact CG2-CB 4.41Å
233	S	98.6	Very high	96.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-98.2	-19	174.5	68.4	0	0	0	0	113.2	H203 E210 R213 V254 S255	H203-S233 WeakPolarHBondContact CB-OG 3.33Å; H203-S233 PolarHBondContact O-N 2.53Å; H203-S233 PolarHBondContact O-OG 3.25Å; E210-S233 VanDerWaalsContact CD-OG 3.32Å; E210-S233 VanDerWaalsContact CG-OG 3.28Å; E210-S233 WeakPolarHBondContact CG-OG 3.47Å; E210-S233 VanDerWaalsContact OE2-CB 3.3Å; E210-S233 WeakPolarHBondContact OE2-CB 3.46Å; E210-S233 PolarHBondContact OE2-OG 2.92Å; R213-S233 PolarHBondContact NH2-O 3.1Å; S233-V254 WeakPolarHBondContact O-CA 3.43Å; S233-S255 PolarHBondContact O-N 2.82Å
234	R	98.8	Very high	96.8	Very high	34 Å²	34	36.2 Å²	36.2	13%	0.128	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-130.3	139	176.8	-58.2	-162.1	-167.2	175.5	13.9	110.5	G184 H203 E210 S255 E257	G184-R234 WeakPolarHBondContact CA-O 2.98Å; G184-R234 PolarHBondContact N-O 3.29Å; H203-R234 HydrophobicContact CB-CB 3.87Å; H203-R234 HydrophobicContact CB-CG 3.79Å; H203-R234 VanDerWaalsContact CD2-CD 3.41Å; H203-R234 WeakPolarHBondContact CD2-CD 3.37Å; H203-R234 VanDerWaalsContact CD2-CZ 3.46Å; H203-R234 PolarHBondContact CD2-NE 3.25Å; H203-R234 VanDerWaalsContact NE2-CZ 3.34Å; H203-R234 PolarHBondContact NE2-NH1 3.34Å; E210-R234 IonicContact OE1-CZ 3.84Å; E210-R234 IonicContact OE1-NE 2.68Å; E210-R234 PolarHBondContact OE1-NE 2.77Å; E210-R234 VanDerWaalsContact OE1-NE 3.16Å; E210-R234 IonicContact OE1-NH2 3.91Å; E210-R234 PolarHBondContact OE1-NH2 2.82Å; E210-R234 VanDerWaalsContact OE2-CG 3.24Å; E210-R234 WeakPolarHBondContact OE2-CG 3.18Å; E210-R234 IonicContact OE2-NE 2.73Å; E210-R234 PolarHBondContact OE2-NE 2.84Å; E210-R234 VanDerWaalsContact OE2-NE 3.09Å; R234-S255 CarbonylContact C-O 3.42Å; R234-S255 WeakPolarHBondContact CA-O 3.19Å; R234-S255 VanDerWaalsContact CB-O 3.29Å; R234-S255 WeakPolarHBondContact CB-O 3.3Å; R234-E257 VanDerWaalsContact CD-O 3.3Å; R234-E257 WeakPolarHBondContact CD-O 3.48Å; R234-E257 PolarHBondContact NH1-O 3.09Å
235	A	98.8	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.227	C	C	.	.			trans	-169.6	154.6	-179.8	0	0	0	0	0	110.6	T166 V232 D238 K242 V254 S255 P256	T166-A235 WeakPolarHBondContact O-CA 3.27Å; T166-A235 WeakPolarHBondContact O-CB 3.3Å; V232-A235 HydrophobicContact CG2-CB 4.41Å; A235-D238 VanDerWaalsContact CB-OD2 3.26Å; A235-D238 WeakPolarHBondContact CB-OD2 3.37Å; A235-K242 PolarHBondContact O-NZ 2.82Å; A235-V254 HydrophobicContact CB-CG1 3.92Å; A235-S255 PolarHBondContact N-O 2.89Å; A235-P256 WeakPolarHBondContact O-CA 3.48Å
236	L	98.8	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	144.9	159.7	-60.1	176.7	0	0	0	108.7	C114 F145 T148 D149 G165 T166 V168 P256	C114-L236 HydrophobicContact CB-CD1 4.09Å; C114-L236 VanDerWaalsContact SG-CD1 3.58Å; F145-L236 HydrophobicContact CD1-CD1 4.41Å; F145-L236 HydrophobicContact CD1-CD2 4.16Å; F145-L236 HydrophobicContact CD1-CG 4.43Å; T148-L236 HydrophobicContact CG2-CD1 4.03Å; D149-L236 HydrophobicContact CB-CD2 3.79Å; D149-L236 WeakPolarHBondContact OD1-CA 3.14Å; G165-L236 CarbonylContact C-O 3.57Å; G165-L236 VanDerWaalsContact CA-O 3.23Å; G165-L236 WeakPolarHBondContact CA-O 3.42Å; T166-L236 HydrophobicContact CG2-CB 4.11Å; T166-L236 PolarHBondContact N-O 3.18Å; T166-L236 PolarHBondContact O-N 3.07Å; V168-L236 HydrophobicContact CG2-CD1 3.75Å; V168-L236 HydrophobicContact CG2-CG 4.23Å; L236-P256 HydrophobicContact CD2-CB 3.96Å
237	G	98.3	Very high	96.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.3	-140.3	-172.9	0	0	0	0	0	112.7	D149 F239 K242	D149-G237 PolarHBondContact OD1-N 3.42Å; G237-F239 VanDerWaalsContact C-N 3.26Å; G237-F239 PolarHBondContact O-N 2.69Å; G237-K242 WeakPolarHBondContact O-CD 3.26Å; G237-K242 WeakPolarHBondContact O-CE 3.37Å; G237-K242 PolarHBondContact O-NZ 2.77Å
238	D	97.7	Very high	96.5	Very high	2 Å²	2	45 Å²	45	1%	0.011	27%	0.267	C	S	.	.			trans	51.6	41.2	179.3	-68.7	-47.5	0	0	0	113.8	H105 G164 A235 S240 Y241 V254	H105-D238 IonicContact CD2-OD1 2.67Å; H105-D238 IonicContact CE1-OD2 3.47Å; H105-D238 PolarHBondContact CE1-OD2 3.06Å; H105-D238 VanDerWaalsContact CE1-OD2 3.23Å; H105-D238 IonicContact NE2-OD1 3.5Å; H105-D238 PolarHBondContact NE2-OD1 3.48Å; H105-D238 IonicContact NE2-OD2 3.16Å; H105-D238 PolarHBondContact NE2-OD2 2.87Å; G164-D238 PolarHBondContact O-N 3.24Å; A235-D238 VanDerWaalsContact CB-OD2 3.26Å; A235-D238 WeakPolarHBondContact CB-OD2 3.37Å; D238-S240 PolarHBondContact O-N 2.99Å; D238-S240 VanDerWaalsContact O-N 3.09Å; D238-Y241 HydrophobicContact CB-CD2 4.1Å; D238-Y241 WeakPolarHBondContact O-CB 2.94Å; D238-Y241 PolarHBondContact O-N 2.87Å; D238-V254 HydrophobicContact CB-CB 4.33Å; D238-V254 HydrophobicContact CB-CG1 4.08Å; D238-V254 HydrophobicContact CB-CG2 4.3Å
239	F	97	Very high	96.7	Very high	17 Å²	17	46.9 Å²	46.9	8%	0.075	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.5	-20.1	-170.4	-61	-62.6	0	0	0	113.7	D149 L152 H153 A156 E162 G237 Y241 K242	D149-F239 WeakPolarHBondContact O-CZ 3.15Å; L152-F239 HydrophobicContact CB-CE2 4.47Å; L152-F239 HydrophobicContact CB-CZ 4.03Å; L152-F239 HydrophobicContact CD2-CE2 4.14Å; L152-F239 HydrophobicContact CD2-CZ 4Å; L152-F239 HydrophobicContact CG-CE2 3.89Å; L152-F239 HydrophobicContact CG-CZ 3.87Å; H153-F239 HydrophobicContact CB-CD1 3.98Å; H153-F239 HydrophobicContact CB-CE1 3.54Å; H153-F239 HydrophobicContact CB-CE2 4.21Å; H153-F239 HydrophobicContact CB-CZ 3.67Å; H153-F239 AromaticContact CE1-CD1 3.96Å; H153-F239 AromaticContact CE1-CG 3.92Å; H153-F239 AromaticContact CG-CD1 3.84Å; H153-F239 AromaticContact CG-CE1 3.94Å; H153-F239 AromaticContact ND1-CD1 3.33Å; H153-F239 VanDerWaalsContact ND1-CD1 3.33Å; H153-F239 WeakPolarHBondContact ND1-CD1 3.13Å; H153-F239 AromaticContact ND1-CD2 3.75Å; H153-F239 AromaticContact ND1-CE1 3.85Å; H153-F239 AromaticContact ND1-CG 3.28Å; H153-F239 VanDerWaalsContact ND1-CG 3.28Å; H153-F239 WeakPolarHBondContact ND1-CG 3.48Å; A156-F239 HydrophobicContact CB-CD2 3.71Å; A156-F239 HydrophobicContact CB-CE2 3.57Å; E162-F239 PolarHBondContact O-N 3.33Å; E162-F239 VanDerWaalsContact O-N 3.14Å; G237-F239 VanDerWaalsContact C-N 3.26Å; G237-F239 PolarHBondContact O-N 2.69Å; F239-Y241 PolarHBondContact O-N 3.13Å; F239-K242 HydrophobicContact CD1-CD 4.02Å; F239-K242 HydrophobicContact CE1-CD 4.35Å; F239-K242 PolarHBondContact O-N 3.22Å; F239-K242 VanDerWaalsContact O-N 3.08Å
240	S	94.6	Very high	96.8	Very high	75 Å²	75	44.9 Å²	44.9	52%	0.524	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.1	-24.7	168.6	55.3	0	0	0	0	113.4	E162 D238	E162-S240 PolarHBondContact O-N 3.18Å; D238-S240 PolarHBondContact O-N 2.99Å; D238-S240 VanDerWaalsContact O-N 3.09Å
241	Y	97.1	Very high	96.9	Very high	36 Å²	36	47.9 Å²	47.9	14%	0.141	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-98.2	1.4	177.2	-64.4	-86.4	0	0	0	113.4	I226 S229 L230 D238 F239 M253 V254	I226-Y241 HydrophobicContact CB-CE1 4.29Å; I226-Y241 HydrophobicContact CG2-CD1 3.81Å; I226-Y241 HydrophobicContact CG2-CE1 3.79Å; S229-Y241 WeakPolarHBondContact CB-OH 3.07Å; S229-Y241 PolarHBondContact OG-OH 2.7Å; L230-Y241 HydrophobicContact CB-CE1 4.48Å; L230-Y241 HydrophobicContact CB-CE2 4.29Å; L230-Y241 HydrophobicContact CD2-CD2 4.13Å; L230-Y241 HydrophobicContact CD2-CE2 4.05Å; D238-Y241 HydrophobicContact CB-CD2 4.1Å; D238-Y241 WeakPolarHBondContact O-CB 2.94Å; D238-Y241 PolarHBondContact O-N 2.87Å; F239-Y241 PolarHBondContact O-N 3.13Å; Y241-M253 HydrophobicContact CD1-CB 4.46Å; Y241-M253 HydrophobicContact CD1-SD 4.38Å; Y241-M253 PolarHBondContact O-N 2.82Å; Y241-V254 VanDerWaalsContact CB-CG2 3.49Å; Y241-V254 HydrophobicContact CD1-CG2 4.41Å; Y241-V254 HydrophobicContact CD2-CG2 4.27Å; Y241-V254 HydrophobicContact CG-CG2 3.83Å
242	K	97.2	Very high	97	Very high	30 Å²	30	46.9 Å²	46.9	13%	0.13	26%	0.261	C	S	.	.	S	Bend	trans	-115.5	32.5	-175.2	-61.8	178.8	178	171.3	0	113.4	D149 A235 G237 F239 Q252 V254	D149-K242 IonicContact OD1-NZ 3.09Å; D149-K242 PolarHBondContact OD1-NZ 2.95Å; D149-K242 IonicContact OD2-NZ 3.78Å; D149-K242 PolarHBondContact OD2-NZ 2.83Å; A235-K242 PolarHBondContact O-NZ 2.82Å; G237-K242 WeakPolarHBondContact O-CD 3.26Å; G237-K242 WeakPolarHBondContact O-CE 3.37Å; G237-K242 PolarHBondContact O-NZ 2.77Å; F239-K242 HydrophobicContact CD1-CD 4.02Å; F239-K242 HydrophobicContact CE1-CD 4.35Å; F239-K242 PolarHBondContact O-N 3.22Å; F239-K242 VanDerWaalsContact O-N 3.08Å; K242-Q252 HydrophobicContact CB-CB 4.21Å; K242-Q252 HydrophobicContact CB-CG 3.98Å; K242-Q252 HydrophobicContact CG-CB 4Å; K242-Q252 HydrophobicContact CG-CG 4.23Å; K242-Q252 PolarHBondContact O-OE1 3.23Å; K242-V254 WeakPolarHBondContact CE-O 3.12Å; K242-V254 WeakPolarHBondContact CG-O 3.36Å
243	G	94.8	Very high	97	Very high	64 Å²	64	48 Å²	48	66%	0.66	27%	0.267	S	S	*	.			trans	-111.3	7.4	-176.8	0	0	0	0	0	115.8	E245	G243-E245 PolarHBondContact O-N 3.12Å
244	A	95.6	Very high	97	Very high	24 Å²	24	48 Å²	48	20%	0.198	27%	0.267	C	S	.	.			trans	-67.2	125.9	-178.5	0	0	0	0	0	111	A217 R247 Q252	A217-A244 HydrophobicContact CB-CB 4.21Å; A244-R247 HydrophobicContact CB-CB 4.24Å; A244-R247 HydrophobicContact CB-CG 3.88Å; A244-Q252 PolarHBondContact O-NE2 3.2Å
245	E	93.9	Very high	97	Very high	169 Å²	169	46.4 Å²	46.4	79%	0.79	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	147.4	178.3	-63.9	-174	176.3	0	0	111.5	G243 R247	G243-E245 PolarHBondContact O-N 3.12Å; E245-R247 PolarHBondContact O-N 3.19Å; E245-R247 VanDerWaalsContact O-N 3.15Å
246	N	92.8	Very high	97	Very high	163 Å²	163	46.4 Å²	46.4	87%	0.872	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	22.9	178.6	-52	-55.9	0	0	0	114.9
247	R	96.6	Very high	97	Very high	95 Å²	95	49.7 Å²	49.7	36%	0.358	28%	0.276	S	S	.	.			trans	-114.4	136.5	173.9	-64.2	-67.6	179.4	-176.3	-4	109.8	S216 A244 E245 Q251 Q252	S216-R247 VanDerWaalsContact C-NH2 3.33Å; S216-R247 VanDerWaalsContact O-CZ 3.26Å; S216-R247 PolarHBondContact O-NE 3.5Å; S216-R247 PolarHBondContact O-NH2 3.2Å; A244-R247 HydrophobicContact CB-CB 4.24Å; A244-R247 HydrophobicContact CB-CG 3.88Å; E245-R247 PolarHBondContact O-N 3.19Å; E245-R247 VanDerWaalsContact O-N 3.15Å; R247-Q251 HydrophobicContact CB-CB 4.09Å; R247-Q252 PolarHBondContact O-NE2 2.9Å
248	T	97.3	Very high	97	Very high	69 Å²	69	49.9 Å²	49.9	42%	0.423	28%	0.277	S	S	.	.			trans	-68	165	169.9	61.4	0	0	0	0	110.3	S250 Q251	T248-S250 PolarHBondContact O-N 3.18Å; T248-Q251 PolarHBondContact O-N 3.04Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.19Å; T248-Q251 PolarHBondContact OG1-OE1 3.2Å
249	P	97	Very high	97.1	Very high	76 Å²	76	53.4 Å²	53.4	49%	0.494	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-54.6	-36.9	179.4	-28.9	37.1	0	0	0	114.2	M146 Q251 Q252 P256	M146-P249 HydrophobicContact CE-CB 3.62Å; M146-P249 HydrophobicContact CE-CG 4.42Å; P249-Q251 VanDerWaalsContact C-N 3.28Å; P249-Q251 PolarHBondContact O-N 2.95Å; P249-Q252 WeakPolarHBondContact O-CG 3.37Å; P249-P256 VanDerWaalsContact O-CD 3.28Å; P249-P256 WeakPolarHBondContact O-CD 3.4Å
250	S	97.3	Very high	97.1	Very high	29 Å²	29	53.8 Å²	53.8	20%	0.203	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-78.9	-7.8	177.7	56.3	0	0	0	0	114.6	R213 T248 S255 E257	R213-S250 WeakPolarHBondContact CD-O 3.37Å; T248-S250 PolarHBondContact O-N 3.18Å; S250-S255 WeakPolarHBondContact CA-OG 3.19Å; S250-S255 PolarHBondContact O-OG 3.35Å; S250-E257 VanDerWaalsContact CB-OE2 3.26Å; S250-E257 WeakPolarHBondContact CB-OE2 3.47Å
251	Q	98.1	Very high	97.3	Very high	82 Å²	82	51.7 Å²	51.7	38%	0.383	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-105.2	11.6	179.2	-66.9	172.5	-33.6	0	0	113	R247 T248 P249	R247-Q251 HydrophobicContact CB-CB 4.09Å; T248-Q251 PolarHBondContact O-N 3.04Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.19Å; T248-Q251 PolarHBondContact OG1-OE1 3.2Å; P249-Q251 VanDerWaalsContact C-N 3.28Å; P249-Q251 PolarHBondContact O-N 2.95Å
252	Q	98.4	Very high	97.4	Very high	11 Å²	11	52 Å²	52	5%	0.051	29%	0.288	C	S	.	.	S	Bend	trans	-74.3	171.4	174.6	-65.2	-60.6	-33.7	0	0	111.5	R213 K242 A244 R247 P249 V254	R213-Q252 WeakPolarHBondContact CD-O 3.5Å; R213-Q252 PolarHBondContact NE-O 3.47Å; K242-Q252 HydrophobicContact CB-CB 4.21Å; K242-Q252 HydrophobicContact CB-CG 3.98Å; K242-Q252 HydrophobicContact CG-CB 4Å; K242-Q252 HydrophobicContact CG-CG 4.23Å; K242-Q252 PolarHBondContact O-OE1 3.23Å; A244-Q252 PolarHBondContact O-NE2 3.2Å; R247-Q252 PolarHBondContact O-NE2 2.9Å; P249-Q252 WeakPolarHBondContact O-CG 3.37Å; Q252-V254 VanDerWaalsContact C-N 3.27Å; Q252-V254 WeakPolarHBondContact CB-O 3.41Å; Q252-V254 PolarHBondContact O-N 2.95Å
253	M	98.2	Very high	97.5	Very high	32 Å²	32	51.6 Å²	51.6	16%	0.158	29%	0.288	C	S	.	.	S	Bend	trans	-61.4	-40.7	176.8	-63.2	-178.3	-159.4	0	0	110.8	R213 I214 A217 I226 Y241	R213-M253 PolarHBondContact NH2-O 2.92Å; I214-M253 VanDerWaalsContact CG1-O 3.27Å; I214-M253 WeakPolarHBondContact CG1-O 3.44Å; A217-M253 HydrophobicContact CB-CB 4.46Å; A217-M253 HydrophobicContact CB-CG 3.65Å; A217-M253 WeakPolarHBondContact O-CE 3.4Å; I226-M253 WeakPolarHBondContact CD1-O 3.1Å; I226-M253 HydrophobicContact CG2-CB 4.22Å; I226-M253 HydrophobicContact CG2-SD 4.31Å; Y241-M253 HydrophobicContact CD1-CB 4.46Å; Y241-M253 HydrophobicContact CD1-SD 4.38Å; Y241-M253 PolarHBondContact O-N 2.82Å
254	V	98.6	Very high	97.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-107.7	122	168.4	176.9	0	0	0	0	108.6	I226 L230 S233 A235 D238 Y241 K242 Q252	I226-V254 HydrophobicContact CD1-CG2 3.72Å; L230-V254 HydrophobicContact CD2-CG2 3.46Å; L230-V254 VanDerWaalsContact CD2-CG2 3.46Å; S233-V254 WeakPolarHBondContact O-CA 3.43Å; A235-V254 HydrophobicContact CB-CG1 3.92Å; D238-V254 HydrophobicContact CB-CB 4.33Å; D238-V254 HydrophobicContact CB-CG1 4.08Å; D238-V254 HydrophobicContact CB-CG2 4.3Å; Y241-V254 VanDerWaalsContact CB-CG2 3.49Å; Y241-V254 HydrophobicContact CD1-CG2 4.41Å; Y241-V254 HydrophobicContact CD2-CG2 4.27Å; Y241-V254 HydrophobicContact CG-CG2 3.83Å; K242-V254 WeakPolarHBondContact CE-O 3.12Å; K242-V254 WeakPolarHBondContact CG-O 3.36Å; Q252-V254 VanDerWaalsContact C-N 3.27Å; Q252-V254 WeakPolarHBondContact CB-O 3.41Å; Q252-V254 PolarHBondContact O-N 2.95Å
255	S	98.8	Very high	97.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-94.1	136.1	178	-179.1	0	0	0	0	111.1	R213 S233 R234 A235 S250 E257	R213-S255 VanDerWaalsContact NH1-CB 3.31Å; S233-S255 PolarHBondContact O-N 2.82Å; R234-S255 CarbonylContact C-O 3.42Å; R234-S255 WeakPolarHBondContact CA-O 3.19Å; R234-S255 VanDerWaalsContact CB-O 3.29Å; R234-S255 WeakPolarHBondContact CB-O 3.3Å; A235-S255 PolarHBondContact N-O 2.89Å; S250-S255 WeakPolarHBondContact CA-OG 3.19Å; S250-S255 PolarHBondContact O-OG 3.35Å; S255-E257 VanDerWaalsContact C-N 3.31Å; S255-E257 WeakPolarHBondContact OG-CB 3.31Å; S255-E257 PolarHBondContact OG-N 3.45Å; S255-E257 VanDerWaalsContact OG-N 3.11Å
256	P	98.8	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.			trans	-83.4	-6.3	168.4	33.9	-32.9	0	0	0	113.4	M146 D149 C183 A235 L236 P249 P258	M146-P256 HydrophobicContact CE-CG 3.94Å; M146-P256 HydrophobicContact SD-CB 4.42Å; M146-P256 HydrophobicContact SD-CG 3.88Å; D149-P256 HydrophobicContact CB-CB 3.69Å; D149-P256 HydrophobicContact CB-CG 4.23Å; D149-P256 VanDerWaalsContact CG-CB 3.5Å; D149-P256 WeakPolarHBondContact OD2-CB 3.43Å; D149-P256 WeakPolarHBondContact OD2-CG 3.48Å; C183-P256 PolarHBondContact SG-O 2.91Å; A235-P256 WeakPolarHBondContact O-CA 3.48Å; L236-P256 HydrophobicContact CD2-CB 3.96Å; P249-P256 VanDerWaalsContact O-CD 3.28Å; P249-P256 WeakPolarHBondContact O-CD 3.4Å; P256-P258 WeakPolarHBondContact O-CD 3.21Å
257	E	98.8	Very high	98	Very high	69 Å²	69	47.9 Å²	47.9	32%	0.322	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-72.3	118.4	-174.9	-175.7	174	-129.6	0	0	111	I142 M146 R234 S250 S255	I142-E257 HydrophobicContact CG2-CG 4.46Å; M146-E257 HydrophobicContact SD-CB 4.14Å; R234-E257 VanDerWaalsContact CD-O 3.3Å; R234-E257 WeakPolarHBondContact CD-O 3.48Å; R234-E257 PolarHBondContact NH1-O 3.09Å; S250-E257 VanDerWaalsContact CB-OE2 3.26Å; S250-E257 WeakPolarHBondContact CB-OE2 3.47Å; S255-E257 VanDerWaalsContact C-N 3.31Å; S255-E257 WeakPolarHBondContact OG-CB 3.31Å; S255-E257 PolarHBondContact OG-N 3.45Å; S255-E257 VanDerWaalsContact OG-N 3.11Å
258	P	98.8	Very high	98.1	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.032	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-74.2	149.6	178.2	32.7	-35.4	0	0	0	110.5	I141 I142 F145 N182 C183 P256 V260	I141-P258 HydrophobicContact CG2-CG 4.37Å; I142-P258 HydrophobicContact CG1-CG 4.29Å; F145-P258 HydrophobicContact CB-CG 3.84Å; F145-P258 HydrophobicContact CD1-CB 3.81Å; F145-P258 HydrophobicContact CD1-CG 3.89Å; F145-P258 HydrophobicContact CD2-CB 4.21Å; F145-P258 HydrophobicContact CD2-CG 3.78Å; F145-P258 HydrophobicContact CE1-CB 3.85Å; F145-P258 HydrophobicContact CE1-CG 4.36Å; F145-P258 HydrophobicContact CE2-CB 4.25Å; F145-P258 HydrophobicContact CE2-CG 4.26Å; F145-P258 HydrophobicContact CG-CB 3.99Å; F145-P258 HydrophobicContact CG-CG 3.57Å; F145-P258 HydrophobicContact CZ-CB 4.07Å; N182-P258 CarbonylContact O-C 3.46Å; N182-P258 VanDerWaalsContact O-CA 3.24Å; N182-P258 WeakPolarHBondContact O-CA 3.17Å; C183-P258 HydrophobicContact CB-CB 4.3Å; P256-P258 WeakPolarHBondContact O-CD 3.21Å; P258-V260 HydrophobicContact CB-CG2 4.34Å; P258-V260 HydrophobicContact CG-CG2 4.02Å
259	E	98.7	Very high	98.1	Very high	75 Å²	75	45.4 Å²	45.4	35%	0.35	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.6	155.8	-174.2	172.3	142.9	0	0	108.9	G181 N182 H203	G181-E259 WeakPolarHBondContact CA-O 3.34Å; N182-E259 PolarHBondContact N-O 3.4Å; N182-E259 PolarHBondContact O-N 2.97Å; H203-E259 IonicContact NE2-OE2 2.78Å
260	V	98.8	Very high	98.1	Very high	26 Å²	26	42.7 Å²	42.7	16%	0.158	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.6	179.8	-170.2	0	0	0	0	111.5	K138 I141 I142 F180 P258	K138-V260 HydrophobicContact CB-CG1 4.23Å; K138-V260 HydrophobicContact CG-CB 4.45Å; K138-V260 HydrophobicContact CG-CG1 3.81Å; I141-V260 HydrophobicContact CB-CG1 4.38Å; I141-V260 HydrophobicContact CB-CG2 4.09Å; I141-V260 HydrophobicContact CD1-CG1 3.93Å; I141-V260 HydrophobicContact CG2-CG1 4.36Å; I141-V260 HydrophobicContact CG2-CG2 3.62Å; I142-V260 HydrophobicContact CD1-CG2 4.36Å; I142-V260 HydrophobicContact CG1-CG2 3.68Å; F180-V260 WeakPolarHBondContact O-CA 3.48Å; F180-V260 WeakPolarHBondContact O-CG1 3.49Å; P258-V260 HydrophobicContact CB-CG2 4.34Å; P258-V260 HydrophobicContact CG-CG2 4.02Å
261	C	98.7	Very high	98.2	Very high	31 Å²	31	41.3 Å²	41.3	21%	0.209	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.5	178.3	-72.1	0	0	0	0	110.3	F180 F198	F180-C261 HydrophobicContact CB-CB 4.37Å; F180-C261 PolarHBondContact N-O 3.36Å; F180-C261 PolarHBondContact O-N 2.89Å; F198-C261 HydrophobicContact CE1-CB 4.49Å; F198-C261 HydrophobicContact CE2-CB 3.77Å; F198-C261 HydrophobicContact CZ-CB 3.44Å; F198-C261 VanDerWaalsContact CZ-CB 3.44Å
262	V	98.7	Very high	98.2	Very high	41 Å²	41	37.4 Å²	37.4	25%	0.248	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126	-179.2	-173.9	0	0	0	0	109.1	P134 K138 Y177 I178 Y179	P134-V262 HydrophobicContact CB-CG1 4.39Å; K138-V262 HydrophobicContact CD-CG2 4.08Å; K138-V262 HydrophobicContact CG-CG2 3.73Å; Y177-V262 HydrophobicContact CD1-CG1 3.8Å; Y177-V262 HydrophobicContact CG-CG1 4.05Å; I178-V262 WeakPolarHBondContact O-CA 3.19Å; Y179-V262 HydrophobicContact CD1-CB 4.25Å; Y179-V262 HydrophobicContact CD1-CG1 3.87Å; Y179-V262 HydrophobicContact CD1-CG2 3.41Å; Y179-V262 VanDerWaalsContact CD1-CG2 3.41Å; Y179-V262 HydrophobicContact CE1-CB 4.35Å; Y179-V262 HydrophobicContact CE1-CG1 3.64Å; Y179-V262 HydrophobicContact CE1-CG2 3.71Å; Y179-V262 HydrophobicContact CG-CG2 4.45Å
263	V	98.6	Very high	98.3	Very high	23 Å²	23	37 Å²	37	14%	0.139	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.5	178.8	179.2	0	0	0	0	108.5	Y177 I178 F180 L190 F198	Y177-V263 CarbonylContact C-O 3.36Å; Y177-V263 WeakPolarHBondContact CA-O 3.41Å; I178-V263 PolarHBondContact N-O 3.44Å; I178-V263 PolarHBondContact O-N 3.41Å; F180-V263 HydrophobicContact CD2-CG2 4.27Å; F180-V263 HydrophobicContact CE2-CB 4.13Å; F180-V263 HydrophobicContact CE2-CG2 3.78Å; L190-V263 HydrophobicContact CD2-CG1 3.97Å; F198-V263 HydrophobicContact CB-CG2 4.19Å; F198-V263 HydrophobicContact CD1-CG2 4.2Å; F198-V263 HydrophobicContact CD2-CG2 3.84Å; F198-V263 HydrophobicContact CE2-CG2 4.32Å; F198-V263 HydrophobicContact CG-CG2 3.79Å
264	E	98.4	Very high	98.3	Very high	133 Å²	133	35.5 Å²	35.5	62%	0.621	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.9	170.9	-168.8	176.7	-176.3	0	0	109.9	Y177 R192	Y177-E264 HydrophobicContact CD1-CB 4.17Å; Y177-E264 HydrophobicContact CD1-CG 4.43Å; Y177-E264 HydrophobicContact CE1-CB 4.06Å; Y177-E264 HydrophobicContact CE1-CG 4.11Å; R192-E264 PolarHBondContact NH2-O 3.09Å
265	R	97.4	Very high	98.3	Very high	57 Å²	57	35.5 Å²	35.5	22%	0.215	19%	0.188	C	C	.	.			trans	-66.8	147.2	179	-71.1	-179.1	61	-165	-10	110.7	S174 P175 Y176 I178 D269	S174-R265 WeakPolarHBondContact O-CD 3.46Å; S174-R265 PolarHBondContact O-NH1 3.33Å; P175-R265 PolarHBondContact O-NH1 3.33Å; Y176-R265 WeakPolarHBondContact O-CB 3.19Å; Y176-R265 PolarHBondContact O-N 3.17Å; I178-R265 HydrophobicContact CD1-CG 4.2Å; I178-R265 HydrophobicContact CG1-CG 3.65Å; R265-D269 WeakPolarHBondContact CA-OD2 3.39Å
266	S	97.1	Very high	98.3	Very high	31 Å²	31	35.5 Å²	35.5	22%	0.217	19%	0.188	C	C	.	.			trans	-128	144.1	175.5	179.3	0	0	0	0	109.8	M268 D269	S266-M268 PolarHBondContact O-N 3.46Å; S266-M268 WeakPolarHBondContact OG-CB 3.31Å; S266-M268 PolarHBondContact OG-N 3.01Å; S266-M268 VanDerWaalsContact OG-N 3.12Å; S266-D269 PolarHBondContact N-OD2 2.7Å; S266-D269 VanDerWaalsContact O-CB 3.29Å; S266-D269 WeakPolarHBondContact O-CB 3.25Å; S266-D269 VanDerWaalsContact O-CG 3.31Å; S266-D269 PolarHBondContact O-N 2.94Å
267	P	95.7	Very high	98.3	Very high	120 Å²	120	36.5 Å²	36.5	78%	0.779	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.6	166.3	-23.9	34.6	0	0	0	113.7
268	M	97.1	Very high	98.3	Very high	111 Å²	111	33.2 Å²	33.2	55%	0.547	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.4	176.6	-54.9	-61.8	-72.5	0	0	113.4	R192 S193 S266 E270	R192-M268 WeakPolarHBondContact CA-O 3.46Å; R192-M268 HydrophobicContact CG-CB 3.87Å; R192-M268 WeakPolarHBondContact CG-O 3.35Å; S193-M268 PolarHBondContact N-O 2.88Å; S193-M268 WeakPolarHBondContact OG-CE 3.44Å; S266-M268 PolarHBondContact O-N 3.46Å; S266-M268 WeakPolarHBondContact OG-CB 3.31Å; S266-M268 PolarHBondContact OG-N 3.01Å; S266-M268 VanDerWaalsContact OG-N 3.12Å; M268-E270 PolarHBondContact O-N 2.83Å
269	D	98.2	Very high	98.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	126.8	171.8	-69	-27.7	0	0	0	108.5	R192 R265 S266 F329 G331	R192-D269 IonicContact CZ-OD1 3.38Å; R192-D269 IonicContact NE-OD1 2.68Å; R192-D269 PolarHBondContact NE-OD1 3.22Å; R192-D269 IonicContact NH2-OD1 3.27Å; R192-D269 PolarHBondContact NH2-OD1 3.28Å; R192-D269 IonicContact NH2-OD2 3.42Å; R192-D269 PolarHBondContact NH2-OD2 3.29Å; R265-D269 WeakPolarHBondContact CA-OD2 3.39Å; S266-D269 PolarHBondContact N-OD2 2.7Å; S266-D269 VanDerWaalsContact O-CB 3.29Å; S266-D269 WeakPolarHBondContact O-CB 3.25Å; S266-D269 VanDerWaalsContact O-CG 3.31Å; S266-D269 PolarHBondContact O-N 2.94Å; D269-F329 HydrophobicContact CB-CB 4.29Å; D269-F329 HydrophobicContact CB-CD2 3.76Å; D269-F329 HydrophobicContact CB-CE2 4.23Å; D269-F329 HydrophobicContact CB-CG 3.98Å; D269-F329 VanDerWaalsContact O-CB 3.29Å; D269-F329 WeakPolarHBondContact O-CB 3.27Å; D269-G331 WeakPolarHBondContact O-CA 3.29Å; D269-G331 PolarHBondContact O-N 2.82Å
270	E	98	Very high	98.3	Very high	19 Å²	19	30 Å²	30	9%	0.089	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-63.2	-177.7	-66.9	-171	-174.7	0	0	110	C191 S193 G194 M268 H293 F329 A332	C191-E270 HydrophobicContact CB-CB 4.46Å; C191-E270 PolarHBondContact O-N 2.75Å; C191-E270 PolarHBondContact SG-OE2 3.23Å; C191-E270 VanDerWaalsContact SG-OE2 3.41Å; S193-E270 VanDerWaalsContact C-OE1 3.32Å; S193-E270 WeakPolarHBondContact CA-OE1 3.35Å; S193-E270 PolarHBondContact N-OE1 2.96Å; G194-E270 VanDerWaalsContact N-CD 3.29Å; G194-E270 PolarHBondContact N-OE1 2.99Å; G194-E270 PolarHBondContact N-OE2 2.86Å; M268-E270 PolarHBondContact O-N 2.83Å; E270-H293 IonicContact OE1-CE1 3.62Å; E270-H293 IonicContact OE1-ND1 2.77Å; E270-H293 IonicContact OE2-CE1 4Å; E270-H293 PolarHBondContact OE2-CE1 3.43Å; E270-H293 IonicContact OE2-CG 3.75Å; E270-H293 IonicContact OE2-ND1 3.44Å; E270-H293 PolarHBondContact OE2-ND1 3.38Å; E270-F329 PolarHBondContact O-N 2.85Å; E270-A332 WeakPolarHBondContact O-CB 3.43Å
271	F	98.7	Very high	98.1	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.7	-178.6	59.1	-96.2	0	0	0	111.6	C191 V273 C289 V292 H293 L296 L326 L327	C191-F271 HydrophobicContact CB-CD1 3.98Å; C191-F271 HydrophobicContact CB-CD2 3.77Å; C191-F271 HydrophobicContact CB-CE1 3.64Å; C191-F271 HydrophobicContact CB-CE2 3.42Å; C191-F271 VanDerWaalsContact CB-CE2 3.42Å; C191-F271 HydrophobicContact CB-CG 4.03Å; C191-F271 HydrophobicContact CB-CZ 3.34Å; C191-F271 PolarHBondContact N-O 2.92Å; C191-F271 VanDerWaalsContact SG-CE1 3.57Å; F271-V273 HydrophobicContact CD2-CG2 4.09Å; F271-V273 HydrophobicContact CE2-CG2 4.27Å; F271-C289 WeakPolarHBondContact CZ-O 3.38Å; F271-V292 HydrophobicContact CD1-CG1 4.15Å; F271-V292 HydrophobicContact CD2-CG1 3.8Å; F271-V292 HydrophobicContact CE1-CB 4.49Å; F271-V292 HydrophobicContact CE1-CG1 3.99Å; F271-V292 HydrophobicContact CE2-CB 3.9Å; F271-V292 HydrophobicContact CE2-CG1 3.61Å; F271-V292 HydrophobicContact CG-CG1 4.07Å; F271-V292 HydrophobicContact CZ-CB 3.86Å; F271-V292 HydrophobicContact CZ-CG1 3.71Å; F271-H293 HydrophobicContact CE1-CB 3.98Å; F271-H293 HydrophobicContact CZ-CB 4.31Å; F271-L296 HydrophobicContact CB-CD1 4.48Å; F271-L296 HydrophobicContact CD1-CD1 3.6Å; F271-L296 HydrophobicContact CE1-CD1 4.14Å; F271-L296 HydrophobicContact CG-CD1 4.22Å; F271-L326 HydrophobicContact CB-CD1 3.89Å; F271-L326 HydrophobicContact CD2-CD1 3.96Å; F271-L326 HydrophobicContact CG-CD1 4.12Å; F271-L327 CarbonylContact C-O 3.54Å; F271-L327 WeakPolarHBondContact CA-O 3.46Å; F271-L327 WeakPolarHBondContact CB-O 3.25Å
272	L	98.8	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.2	174.6	163.6	58.3	0	0	0	108.8	T171 I178 F180 A188 V189 L190 L274 L327 F329	T171-L272 HydrophobicContact CG2-CD2 4.05Å; I178-L272 HydrophobicContact CG2-CD2 4.07Å; F180-L272 HydrophobicContact CE1-CD1 3.65Å; F180-L272 HydrophobicContact CE1-CD2 3.76Å; F180-L272 HydrophobicContact CE1-CG 4.41Å; F180-L272 HydrophobicContact CZ-CD1 4.17Å; F180-L272 HydrophobicContact CZ-CD2 4.1Å; A188-L272 HydrophobicContact CB-CD1 4.2Å; V189-L272 WeakPolarHBondContact O-CA 3.42Å; V189-L272 WeakPolarHBondContact O-CD1 3.43Å; L190-L272 HydrophobicContact CB-CD1 4.44Å; L190-L272 HydrophobicContact CD1-CB 3.99Å; L272-L274 HydrophobicContact CD1-CD1 3.92Å; L272-L274 HydrophobicContact CD2-CD1 4Å; L272-L274 HydrophobicContact CG-CD1 3.66Å; L272-L327 HydrophobicContact CB-CB 4.17Å; L272-L327 HydrophobicContact CB-CD1 4.38Å; L272-L327 HydrophobicContact CD2-CD1 3.85Å; L272-L327 HydrophobicContact CG-CD1 4.08Å; L272-L327 PolarHBondContact N-O 3.32Å; L272-L327 PolarHBondContact O-N 3.36Å; L272-F329 HydrophobicContact CB-CE2 3.87Å; L272-F329 HydrophobicContact CB-CZ 4.33Å
273	V	98.9	Very high	98	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.2	173.8	176.9	0	0	0	0	109.6	A188 V189 F271 A275 W280 L288 I324 I325 L326	A188-V273 CarbonylContact C-O 3.54Å; A188-V273 WeakPolarHBondContact CA-O 3.43Å; V189-V273 PolarHBondContact N-O 2.89Å; V189-V273 PolarHBondContact O-N 3.38Å; F271-V273 HydrophobicContact CD2-CG2 4.09Å; F271-V273 HydrophobicContact CE2-CG2 4.27Å; V273-A275 HydrophobicContact CG1-CB 4.36Å; V273-W280 HydrophobicContact CB-CH2 4.44Å; V273-W280 HydrophobicContact CG1-CH2 4.02Å; V273-W280 HydrophobicContact CG1-CZ2 3.9Å; V273-L288 HydrophobicContact CG1-CD2 4.01Å; V273-I324 HydrophobicContact CG1-CD1 3.65Å; V273-I324 HydrophobicContact CG1-CG1 3.85Å; V273-I325 CarbonylContact C-O 3.51Å; V273-I325 WeakPolarHBondContact CA-O 3.42Å; V273-L326 HydrophobicContact CG2-CD1 3.95Å
274	L	98.9	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.8	162.6	-72.6	70.4	0	0	0	107.5	F99 V101 V169 T171 A188 L272 I324 I325 L327	F99-L274 HydrophobicContact CB-CD2 4.4Å; V101-L274 HydrophobicContact CG2-CB 4.01Å; V169-L274 HydrophobicContact CG1-CB 4.12Å; V169-L274 HydrophobicContact CG1-CD2 4.39Å; V169-L274 HydrophobicContact CG1-CG 4.38Å; T171-L274 HydrophobicContact CG2-CD1 4.02Å; T171-L274 HydrophobicContact CG2-CD2 4.04Å; A188-L274 HydrophobicContact CB-CD1 4.49Å; A188-L274 HydrophobicContact CB-CG 4.13Å; L272-L274 HydrophobicContact CD1-CD1 3.92Å; L272-L274 HydrophobicContact CD2-CD1 4Å; L272-L274 HydrophobicContact CG-CD1 3.66Å; L274-I324 CarbonylContact O-C 3.59Å; L274-I324 WeakPolarHBondContact O-CA 3.47Å; L274-I325 HydrophobicContact CB-CB 4.36Å; L274-I325 PolarHBondContact N-O 3.3Å; L274-I325 PolarHBondContact O-N 2.8Å; L274-L327 HydrophobicContact CD1-CD1 4.31Å
275	A	98.9	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.8	177.3	0	0	0	0	0	112.6	S186 R187 V273 V279 W280 S323 I324	S186-A275 WeakPolarHBondContact CA-O 3.34Å; R187-A275 PolarHBondContact N-O 2.98Å; R187-A275 PolarHBondContact O-N 3.35Å; V273-A275 HydrophobicContact CG1-CB 4.36Å; A275-V279 HydrophobicContact CB-CB 3.86Å; A275-V279 HydrophobicContact CB-CG1 4.25Å; A275-V279 HydrophobicContact CB-CG2 3.74Å; A275-W280 HydrophobicContact CB-CZ2 4.05Å; A275-W280 PolarHBondContact O-NE1 3.46Å; A275-S323 WeakPolarHBondContact CA-O 3.36Å; A275-S323 VanDerWaalsContact CB-O 3.23Å; A275-S323 WeakPolarHBondContact CB-O 3.48Å; A275-I324 HydrophobicContact CB-CB 4.17Å; A275-I324 HydrophobicContact CB-CG1 4.3Å
276	C	98.8	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.			trans	-75.1	171.8	170.3	63.7	0	0	0	0	111.8	D81 V101 D103 G278 V279 S323	D81-C276 PolarHBondContact OD2-SG 3.31Å; V101-C276 HydrophobicContact CG1-CB 4.23Å; D103-C276 HydrophobicContact CB-CB 3.99Å; D103-C276 WeakPolarHBondContact OD2-CB 3.32Å; C276-G278 PolarHBondContact O-N 3.15Å; C276-V279 PolarHBondContact O-N 3.1Å; C276-V279 VanDerWaalsContact O-N 3.11Å; C276-S323 PolarHBondContact N-O 3.07Å; C276-S323 PolarHBondContact SG-N 2.84Å
277	D	98.4	Very high	98.1	Very high	20 Å²	20	33 Å²	33	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-22.3	-178.6	73.1	-6.6	0	0	0	112.9	V279 W280 D281	D277-V279 CarbonylContact O-C 3.48Å; D277-V279 PolarHBondContact O-N 3.39Å; D277-W280 PolarHBondContact O-N 2.91Å; D277-D281 VanDerWaalsContact O-CB 3.32Å; D277-D281 WeakPolarHBondContact O-CB 3.1Å; D277-D281 PolarHBondContact O-N 2.88Å
278	G	98.2	Very high	98.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-55.2	-20.6	170.8	0	0	0	0	0	114.5	C276 S318 N321	C276-G278 PolarHBondContact O-N 3.15Å; G278-S318 VanDerWaalsContact O-CB 3.27Å; G278-S318 WeakPolarHBondContact O-CB 3.25Å; G278-S318 PolarHBondContact O-OG 2.79Å; G278-N321 WeakPolarHBondContact CA-O 3.25Å
279	V	98.8	Very high	98.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-87.2	-61.3	163.6	174.8	0	0	0	0	110.3	A275 C276 D277 D281 T282 I283 L288 V309 I322	A275-V279 HydrophobicContact CB-CB 3.86Å; A275-V279 HydrophobicContact CB-CG1 4.25Å; A275-V279 HydrophobicContact CB-CG2 3.74Å; C276-V279 PolarHBondContact O-N 3.1Å; C276-V279 VanDerWaalsContact O-N 3.11Å; D277-V279 CarbonylContact O-C 3.48Å; D277-V279 PolarHBondContact O-N 3.39Å; V279-D281 VanDerWaalsContact C-N 3.28Å; V279-D281 PolarHBondContact O-N 2.9Å; V279-T282 PolarHBondContact O-N 3.11Å; V279-T282 PolarHBondContact O-OG1 3.07Å; V279-I283 HydrophobicContact CG1-CG2 3.81Å; V279-I283 PolarHBondContact O-N 3.23Å; V279-L288 HydrophobicContact CG1-CD2 3.84Å; V279-V309 HydrophobicContact CG1-CG1 4.34Å; V279-I322 HydrophobicContact CG2-CG2 3.52Å
280	W	98.4	Very high	98.3	Very high	13 Å²	13	23.8 Å²	23.8	5%	0.049	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-19.9	-165.3	-55.7	115.9	0	0	0	115.6	R187 V189 V273 A275 D277 T282 L288	R187-W280 HydrophobicContact CB-CD2 4.16Å; R187-W280 HydrophobicContact CB-CG 4.08Å; R187-W280 HydrophobicContact CB-CZ2 4.34Å; R187-W280 WeakPolarHBondContact O-CZ2 3.45Å; R187-W280 PolarHBondContact O-NE1 3.07Å; V189-W280 HydrophobicContact CB-CH2 3.87Å; V189-W280 HydrophobicContact CG2-CH2 3.36Å; V189-W280 HydrophobicContact CG2-CZ2 4.01Å; V189-W280 HydrophobicContact CG2-CZ3 3.81Å; V273-W280 HydrophobicContact CB-CH2 4.44Å; V273-W280 HydrophobicContact CG1-CH2 4.02Å; V273-W280 HydrophobicContact CG1-CZ2 3.9Å; A275-W280 HydrophobicContact CB-CZ2 4.05Å; A275-W280 PolarHBondContact O-NE1 3.46Å; D277-W280 PolarHBondContact O-N 2.91Å; W280-T282 PolarHBondContact O-N 3.25Å; W280-L288 HydrophobicContact CE3-CD2 4.22Å; W280-L288 HydrophobicContact CH2-CD2 3.41Å; W280-L288 VanDerWaalsContact CH2-CD2 3.41Å; W280-L288 HydrophobicContact CZ2-CD2 4.21Å; W280-L288 HydrophobicContact CZ3-CB 4.23Å; W280-L288 HydrophobicContact CZ3-CD2 3.4Å; W280-L288 HydrophobicContact CZ3-CG 4.43Å
281	D	96	Very high	98.4	Very high	114 Å²	114	22.9 Å²	22.9	61%	0.61	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-15.1	173.3	-87.2	4.7	0	0	0	112.7	D277 V279	D277-D281 VanDerWaalsContact O-CB 3.32Å; D277-D281 WeakPolarHBondContact O-CB 3.1Å; D277-D281 PolarHBondContact O-N 2.88Å; V279-D281 VanDerWaalsContact C-N 3.28Å; V279-D281 PolarHBondContact O-N 2.9Å
282	T	95.9	Very high	98.4	Very high	25 Å²	25	22.9 Å²	22.9	15%	0.153	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-12.2	-174.5	68.4	0	0	0	0	115	V279 W280 C313 K316	V279-T282 PolarHBondContact O-N 3.11Å; V279-T282 PolarHBondContact O-OG1 3.07Å; W280-T282 PolarHBondContact O-N 3.25Å; T282-C313 WeakPolarHBondContact OG1-CA 3.1Å; T282-C313 WeakPolarHBondContact OG1-CB 3.4Å; T282-C313 PolarHBondContact OG1-SG 3.02Å; T282-K316 WeakPolarHBondContact O-CD 3.32Å; T282-K316 WeakPolarHBondContact O-CE 3.39Å
283	I	97.9	Very high	98.4	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	-147.1	136	-176.9	-166.4	164.9	0	0	0	110.7	V279 E287 L288 L312	V279-I283 HydrophobicContact CG1-CG2 3.81Å; V279-I283 PolarHBondContact O-N 3.23Å; I283-E287 HydrophobicContact CD1-CB 4.04Å; I283-E287 HydrophobicContact CG1-CB 3.47Å; I283-E287 VanDerWaalsContact CG1-CB 3.47Å; I283-L288 HydrophobicContact CD1-CB 3.96Å; I283-L288 HydrophobicContact CD1-CD1 4.07Å; I283-L288 HydrophobicContact CG1-CB 4.07Å; I283-L288 HydrophobicContact CG2-CB 4.08Å; I283-L288 HydrophobicContact CG2-CD1 4.37Å; I283-L288 HydrophobicContact CG2-CD2 4.48Å; I283-L312 HydrophobicContact CD1-CD2 3.67Å
284	S	98.6	Very high	98.3	Very high	45 Å²	45	26.4 Å²	26.4	32%	0.315	14%	0.142	S	C	.	.			trans	-74.7	166.4	177.7	90.4	0	0	0	0	112.1	E286 E287 L288	S284-E286 VanDerWaalsContact C-N 3.32Å; S284-E286 PolarHBondContact O-N 3.19Å; S284-E286 PolarHBondContact OG-N 2.93Å; S284-E286 PolarHBondContact OG-OE2 2.96Å; S284-E286 VanDerWaalsContact OG-OE2 3.09Å; S284-E287 PolarHBondContact N-OE2 3.28Å; S284-E287 PolarHBondContact O-N 3.4Å; S284-E287 PolarHBondContact OG-N 3.11Å; S284-E287 VanDerWaalsContact OG-N 3.17Å; S284-L288 WeakPolarHBondContact O-CB 3.24Å; S284-L288 PolarHBondContact O-N 3.42Å
285	N	98.8	Very high	98.3	Very high	22 Å²	22	26.5 Å²	26.5	12%	0.118	14%	0.142	C	C	.	.	H	α-helix	trans	-55.9	-47.6	175.4	-63.4	-8.3	0	0	0	111.2	R187 V189 V196 S199 C289	R187-N285 PolarHBondContact NH1-OD1 2.99Å; V189-N285 HydrophobicContact CG2-CB 4.2Å; V196-N285 HydrophobicContact CG1-CB 4.42Å; V196-N285 HydrophobicContact CG2-CB 4.06Å; S199-N285 PolarHBondContact OG-ND2 3.36Å; N285-C289 WeakPolarHBondContact O-CB 3.28Å; N285-C289 PolarHBondContact O-N 3Å
286	E	98.7	Very high	98.3	Very high	116 Å²	116	27 Å²	27	54%	0.542	15%	0.145	S	C	.	.	H	α-helix	trans	-68.5	-41.8	-178.5	-60.6	71.4	-155.9	0	0	111.8	V196 S284 C289 A290	V196-E286 HydrophobicContact CG2-CG 4.44Å; S284-E286 VanDerWaalsContact C-N 3.32Å; S284-E286 PolarHBondContact O-N 3.19Å; S284-E286 PolarHBondContact OG-N 2.93Å; S284-E286 PolarHBondContact OG-OE2 2.96Å; S284-E286 VanDerWaalsContact OG-OE2 3.09Å; E286-C289 PolarHBondContact O-N 3.44Å; E286-A290 WeakPolarHBondContact O-CB 3.34Å; E286-A290 PolarHBondContact O-N 2.92Å
287	E	98.6	Very high	98.3	Very high	77 Å²	77	29.4 Å²	29.4	36%	0.36	16%	0.156	S	C	.	.	H	α-helix	trans	-62.6	-47.6	177.1	-72.9	-173.9	149.1	0	0	111.1	I283 S284 A290 F291 K316 G388	I283-E287 HydrophobicContact CD1-CB 4.04Å; I283-E287 HydrophobicContact CG1-CB 3.47Å; I283-E287 VanDerWaalsContact CG1-CB 3.47Å; S284-E287 PolarHBondContact N-OE2 3.28Å; S284-E287 PolarHBondContact O-N 3.4Å; S284-E287 PolarHBondContact OG-N 3.11Å; S284-E287 VanDerWaalsContact OG-N 3.17Å; E287-A290 PolarHBondContact O-N 3.39Å; E287-F291 VanDerWaalsContact O-CB 3.32Å; E287-F291 WeakPolarHBondContact O-CB 3.32Å; E287-F291 PolarHBondContact O-N 3.33Å; E287-K316 IonicContact OE1-NZ 3.01Å; E287-K316 IonicContact OE2-NZ 3.43Å; E287-K316 PolarHBondContact OE2-NZ 3.17Å; E287-G388 WeakPolarHBondContact O-CA 3.46Å
288	L	98.8	Very high	98.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-40.9	179.6	-175.4	63.4	0	0	0	111.4	V273 V279 W280 I283 S284 F291 V292 V309	V273-L288 HydrophobicContact CG1-CD2 4.01Å; V279-L288 HydrophobicContact CG1-CD2 3.84Å; W280-L288 HydrophobicContact CE3-CD2 4.22Å; W280-L288 HydrophobicContact CH2-CD2 3.41Å; W280-L288 VanDerWaalsContact CH2-CD2 3.41Å; W280-L288 HydrophobicContact CZ2-CD2 4.21Å; W280-L288 HydrophobicContact CZ3-CB 4.23Å; W280-L288 HydrophobicContact CZ3-CD2 3.4Å; W280-L288 HydrophobicContact CZ3-CG 4.43Å; I283-L288 HydrophobicContact CD1-CB 3.96Å; I283-L288 HydrophobicContact CD1-CD1 4.07Å; I283-L288 HydrophobicContact CG1-CB 4.07Å; I283-L288 HydrophobicContact CG2-CB 4.08Å; I283-L288 HydrophobicContact CG2-CD1 4.37Å; I283-L288 HydrophobicContact CG2-CD2 4.48Å; S284-L288 WeakPolarHBondContact O-CB 3.24Å; S284-L288 PolarHBondContact O-N 3.42Å; L288-F291 PolarHBondContact O-N 2.82Å; L288-V292 HydrophobicContact CD1-CG2 4.04Å; L288-V292 HydrophobicContact CG-CG2 4.24Å; L288-V292 WeakPolarHBondContact O-CB 3.48Å; L288-V292 WeakPolarHBondContact O-CG2 3.26Å; L288-V292 PolarHBondContact O-N 2.98Å; L288-V309 HydrophobicContact CD1-CB 4.33Å; L288-V309 HydrophobicContact CD1-CG1 3.56Å; L288-V309 HydrophobicContact CD1-CG2 3.76Å
289	C	98.6	Very high	98.1	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.034	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-48.8	176.1	-176.3	0	0	0	0	111.4	C191 V196 F271 N285 E286 F291 H293	C191-C289 PolarHBondContact SG-SG 3.14Å; V196-C289 HydrophobicContact CG2-CB 3.69Å; F271-C289 WeakPolarHBondContact CZ-O 3.38Å; N285-C289 WeakPolarHBondContact O-CB 3.28Å; N285-C289 PolarHBondContact O-N 3Å; E286-C289 PolarHBondContact O-N 3.44Å; C289-F291 VanDerWaalsContact C-N 3.31Å; C289-F291 PolarHBondContact O-N 3.25Å; C289-H293 VanDerWaalsContact O-CB 3.27Å; C289-H293 WeakPolarHBondContact O-CB 3.48Å; C289-H293 PolarHBondContact O-N 3.21Å
290	A	98.6	Very high	97.8	Very high	33 Å²	33	36.4 Å²	36.4	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-40	177.7	0	0	0	0	0	111.7	E286 E287 N294 P387	E286-A290 WeakPolarHBondContact O-CB 3.34Å; E286-A290 PolarHBondContact O-N 2.92Å; E287-A290 PolarHBondContact O-N 3.39Å; A290-N294 WeakPolarHBondContact O-CB 3.45Å; A290-N294 PolarHBondContact O-N 2.92Å; A290-P387 HydrophobicContact CB-CB 3.96Å; A290-P387 HydrophobicContact CB-CG 4.18Å
291	F	98.8	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-53.5	177.8	-175.6	-114.2	0	0	0	111.6	E287 L288 C289 H293 N294 R295 Q308 V309 L312 P386 P387 S393	E287-F291 VanDerWaalsContact O-CB 3.32Å; E287-F291 WeakPolarHBondContact O-CB 3.32Å; E287-F291 PolarHBondContact O-N 3.33Å; L288-F291 PolarHBondContact O-N 2.82Å; C289-F291 VanDerWaalsContact C-N 3.31Å; C289-F291 PolarHBondContact O-N 3.25Å; F291-H293 PolarHBondContact O-N 2.8Å; F291-N294 PolarHBondContact O-N 2.96Å; F291-R295 HydrophobicContact CD1-CG 4.2Å; F291-R295 HydrophobicContact CD2-CG 4.17Å; F291-R295 HydrophobicContact CE1-CG 3.87Å; F291-R295 HydrophobicContact CE2-CG 3.82Å; F291-R295 HydrophobicContact CG-CG 4.35Å; F291-R295 HydrophobicContact CZ-CG 3.67Å; F291-R295 VanDerWaalsContact O-CG 3.28Å; F291-R295 WeakPolarHBondContact O-CG 3.21Å; F291-R295 PolarHBondContact O-N 2.8Å; F291-Q308 HydrophobicContact CE1-CB 4.24Å; F291-Q308 HydrophobicContact CZ-CB 4.15Å; F291-V309 HydrophobicContact CD1-CG2 3.96Å; F291-V309 HydrophobicContact CE1-CG2 3.95Å; F291-L312 HydrophobicContact CD1-CD2 3.73Å; F291-L312 HydrophobicContact CD2-CD2 4.33Å; F291-L312 HydrophobicContact CE1-CD2 3.77Å; F291-L312 HydrophobicContact CE2-CD2 4.37Å; F291-L312 HydrophobicContact CG-CD2 4.02Å; F291-L312 HydrophobicContact CZ-CD2 4.1Å; F291-P386 HydrophobicContact CD2-CB 3.88Å; F291-P386 HydrophobicContact CE2-CB 3.82Å; F291-P387 WeakPolarHBondContact CA-O 3.17Å; F291-P387 WeakPolarHBondContact CB-O 3.4Å; F291-P387 PolarHBondContact N-O 2.85Å; F291-S393 VanDerWaalsContact CE2-CB 3.42Å
292	V	98.8	Very high	97.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-45	179.2	171.1	0	0	0	0	111.1	F271 L288 N294 R295 L296 V305 V309 L326	F271-V292 HydrophobicContact CD1-CG1 4.15Å; F271-V292 HydrophobicContact CD2-CG1 3.8Å; F271-V292 HydrophobicContact CE1-CB 4.49Å; F271-V292 HydrophobicContact CE1-CG1 3.99Å; F271-V292 HydrophobicContact CE2-CB 3.9Å; F271-V292 HydrophobicContact CE2-CG1 3.61Å; F271-V292 HydrophobicContact CG-CG1 4.07Å; F271-V292 HydrophobicContact CZ-CB 3.86Å; F271-V292 HydrophobicContact CZ-CG1 3.71Å; L288-V292 HydrophobicContact CD1-CG2 4.04Å; L288-V292 HydrophobicContact CG-CG2 4.24Å; L288-V292 WeakPolarHBondContact O-CB 3.48Å; L288-V292 WeakPolarHBondContact O-CG2 3.26Å; L288-V292 PolarHBondContact O-N 2.98Å; V292-N294 VanDerWaalsContact C-N 3.3Å; V292-N294 PolarHBondContact O-N 3.19Å; V292-R295 PolarHBondContact O-N 3.14Å; V292-R295 VanDerWaalsContact O-N 3.16Å; V292-L296 HydrophobicContact CG1-CD1 3.98Å; V292-L296 HydrophobicContact CG1-CG 4.28Å; V292-L296 VanDerWaalsContact O-CG 3.32Å; V292-L296 WeakPolarHBondContact O-CG 3.34Å; V292-L296 PolarHBondContact O-N 2.92Å; V292-V305 HydrophobicContact CG1-CG1 4.3Å; V292-V305 HydrophobicContact CG2-CG1 4.46Å; V292-V309 HydrophobicContact CG2-CG2 3.99Å; V292-L326 HydrophobicContact CG1-CD1 3.73Å; V292-L326 HydrophobicContact CG1-CD2 4.11Å
293	H	98.4	Very high	97.8	Very high	47 Å²	47	36 Å²	36	22%	0.218	19%	0.192	C	C	.	.	H	α-helix	trans	-54.9	-47.2	176	-179.6	98.8	0	0	0	111.6	E270 F271 C289 F291 P333	E270-H293 IonicContact OE1-CE1 3.62Å; E270-H293 IonicContact OE1-ND1 2.77Å; E270-H293 IonicContact OE2-CE1 4Å; E270-H293 PolarHBondContact OE2-CE1 3.43Å; E270-H293 IonicContact OE2-CG 3.75Å; E270-H293 IonicContact OE2-ND1 3.44Å; E270-H293 PolarHBondContact OE2-ND1 3.38Å; F271-H293 HydrophobicContact CE1-CB 3.98Å; F271-H293 HydrophobicContact CZ-CB 4.31Å; C289-H293 VanDerWaalsContact O-CB 3.27Å; C289-H293 WeakPolarHBondContact O-CB 3.48Å; C289-H293 PolarHBondContact O-N 3.21Å; F291-H293 PolarHBondContact O-N 2.8Å; H293-P333 VanDerWaalsContact CE1-CG 3.44Å; H293-P333 WeakPolarHBondContact CE1-CG 3.26Å; H293-P333 VanDerWaalsContact ND1-CG 3.27Å; H293-P333 WeakPolarHBondContact ND1-CG 3.45Å
294	N	98.3	Very high	97.8	Very high	29 Å²	29	39.4 Å²	39.4	16%	0.155	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-40.4	177.9	172.1	-101.4	0	0	0	112.5	A290 F291 V292 Q297 P387	A290-N294 WeakPolarHBondContact O-CB 3.45Å; A290-N294 PolarHBondContact O-N 2.92Å; F291-N294 PolarHBondContact O-N 2.96Å; V292-N294 VanDerWaalsContact C-N 3.3Å; V292-N294 PolarHBondContact O-N 3.19Å; N294-Q297 WeakPolarHBondContact O-CB 3.25Å; N294-Q297 PolarHBondContact O-N 3.48Å; N294-P387 HydrophobicContact CB-CG 3.91Å
295	R	98.4	Very high	97.8	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.011	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-36.8	178.4	-66.8	-57.2	85.8	-175.1	-0.8	112.5	F291 V292 Q297 V298 C299 V305 E343	F291-R295 HydrophobicContact CD1-CG 4.2Å; F291-R295 HydrophobicContact CD2-CG 4.17Å; F291-R295 HydrophobicContact CE1-CG 3.87Å; F291-R295 HydrophobicContact CE2-CG 3.82Å; F291-R295 HydrophobicContact CG-CG 4.35Å; F291-R295 HydrophobicContact CZ-CG 3.67Å; F291-R295 VanDerWaalsContact O-CG 3.28Å; F291-R295 WeakPolarHBondContact O-CG 3.21Å; F291-R295 PolarHBondContact O-N 2.8Å; V292-R295 PolarHBondContact O-N 3.14Å; V292-R295 VanDerWaalsContact O-N 3.16Å; R295-Q297 PolarHBondContact O-N 3.3Å; R295-Q297 VanDerWaalsContact O-N 3.16Å; R295-V298 WeakPolarHBondContact O-CG2 3.49Å; R295-V298 PolarHBondContact O-N 2.94Å; R295-C299 VanDerWaalsContact O-CB 3.3Å; R295-C299 WeakPolarHBondContact O-CB 3.36Å; R295-C299 PolarHBondContact O-N 3.48Å; R295-C299 PolarHBondContact O-SG 3.35Å; R295-V305 HydrophobicContact CB-CG1 3.94Å; R295-V305 HydrophobicContact CB-CG2 4.19Å; R295-E343 IonicContact CZ-OE1 3.1Å; R295-E343 IonicContact CZ-OE2 3.6Å; R295-E343 IonicContact NH1-OE1 2.79Å; R295-E343 PolarHBondContact NH1-OE1 3.48Å; R295-E343 IonicContact NH1-OE2 3.18Å; R295-E343 IonicContact NH2-OE1 2.69Å; R295-E343 IonicContact NH2-OE2 2.82Å; R295-E343 PolarHBondContact NH2-OE2 3.16Å
296	L	98.3	Very high	97.8	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-21.5	174.7	-71.1	171.6	0	0	0	113.4	F271 V292 L302 V305 L326 P333	F271-L296 HydrophobicContact CB-CD1 4.48Å; F271-L296 HydrophobicContact CD1-CD1 3.6Å; F271-L296 HydrophobicContact CE1-CD1 4.14Å; F271-L296 HydrophobicContact CG-CD1 4.22Å; V292-L296 HydrophobicContact CG1-CD1 3.98Å; V292-L296 HydrophobicContact CG1-CG 4.28Å; V292-L296 VanDerWaalsContact O-CG 3.32Å; V292-L296 WeakPolarHBondContact O-CG 3.34Å; V292-L296 PolarHBondContact O-N 2.92Å; L296-L302 HydrophobicContact CD2-CD2 3.45Å; L296-L302 VanDerWaalsContact CD2-CD2 3.45Å; L296-V305 HydrophobicContact CD2-CG2 4.28Å; L296-L326 HydrophobicContact CD2-CD2 4.35Å; L296-P333 HydrophobicContact CB-CB 4.05Å; L296-P333 HydrophobicContact CB-CG 4.39Å; L296-P333 HydrophobicContact CD1-CG 4.43Å
297	Q	98.3	Very high	97.7	Very high	50 Å²	50	32.4 Å²	32.4	23%	0.234	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.3	176.7	-63.9	176.1	-38.2	0	0	113.8	N294 R295 P333 L335 S336 A339	N294-Q297 WeakPolarHBondContact O-CB 3.25Å; N294-Q297 PolarHBondContact O-N 3.48Å; R295-Q297 PolarHBondContact O-N 3.3Å; R295-Q297 VanDerWaalsContact O-N 3.16Å; Q297-P333 HydrophobicContact CG-CB 3.79Å; Q297-L335 WeakPolarHBondContact O-CA 3.46Å; Q297-S336 PolarHBondContact O-N 3.43Å; Q297-A339 HydrophobicContact CB-CB 3.88Å
298	V	97.8	Very high	97.7	Very high	19 Å²	19	31 Å²	31	12%	0.115	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-20.4	-175.6	-60.5	0	0	0	0	113.6	R295 A339 L340 E343	R295-V298 WeakPolarHBondContact O-CG2 3.49Å; R295-V298 PolarHBondContact O-N 2.94Å; V298-A339 HydrophobicContact CG1-CB 3.74Å; V298-L340 HydrophobicContact CB-CD2 4.08Å; V298-L340 HydrophobicContact CG1-CD2 4.37Å; V298-L340 WeakPolarHBondContact O-CD2 3.49Å; V298-E343 HydrophobicContact CG1-CB 4.2Å
299	C	96.3	Very high	97.7	Very high	21 Å²	21	30.9 Å²	30.9	14%	0.142	17%	0.167	C	C	.	.			trans	-95.3	134.7	178.3	-63.7	0	0	0	0	111.2	R295 V305 Q308 L335	R295-C299 VanDerWaalsContact O-CB 3.3Å; R295-C299 WeakPolarHBondContact O-CB 3.36Å; R295-C299 PolarHBondContact O-N 3.48Å; R295-C299 PolarHBondContact O-SG 3.35Å; C299-V305 HydrophobicContact CB-CG2 3.66Å; C299-Q308 PolarHBondContact SG-NE2 2.92Å; C299-L335 WeakPolarHBondContact O-CD2 3.14Å
300	T	91.8	Very high	97.7	Very high	127 Å²	127	30.7 Å²	30.7	78%	0.779	17%	0.166	S	C	*	.	S	Bend	trans	-90.2	-24.3	174.8	52.2	0	0	0	0	112.5	L335	T300-L335 HydrophobicContact CG2-CD1 3.64Å; T300-L335 HydrophobicContact CG2-CD2 4.29Å
301	D	95.5	Very high	97.7	Very high	32 Å²	32	29.8 Å²	29.8	17%	0.171	16%	0.156	C	C	.	.			trans	-110.2	127.8	-179.7	-169.3	-30.6	0	0	0	109.9	R303 D304	D301-R303 VanDerWaalsContact C-N 3.26Å; D301-R303 PolarHBondContact O-N 3.35Å; D301-R303 WeakPolarHBondContact OD1-CB 3.24Å; D301-R303 WeakPolarHBondContact OD1-CG 3.48Å; D301-R303 IonicContact OD1-CZ 3.42Å; D301-R303 PolarHBondContact OD1-N 3.22Å; D301-R303 IonicContact OD1-NE 2.77Å; D301-R303 PolarHBondContact OD1-NE 3.34Å; D301-R303 VanDerWaalsContact OD1-NE 3.1Å; D301-R303 IonicContact OD2-CZ 3.52Å; D301-R303 VanDerWaalsContact OD2-CZ 3.27Å; D301-R303 IonicContact OD2-NE 3.5Å; D301-R303 PolarHBondContact OD2-NE 2.9Å; D301-R303 VanDerWaalsContact OD2-NE 3.07Å; D301-R303 IonicContact OD2-NH2 3.93Å; D301-R303 PolarHBondContact OD2-NH2 3.33Å; D301-D304 HydrophobicContact CB-CB 4.38Å; D301-D304 WeakPolarHBondContact O-CB 3.43Å; D301-D304 PolarHBondContact O-N 2.81Å
302	L	96.3	Very high	97.6	Very high	29 Å²	29	29.9 Å²	29.9	15%	0.152	16%	0.157	C	C	.	.	H	α-helix	trans	-69.5	-25.9	179.3	-66.6	-177.7	0	0	0	112.2	A68 L296 D304 V305 C306 L326 C328	A68-L302 VanDerWaalsContact CB-C 3.47Å; A68-L302 HydrophobicContact CB-CB 3.43Å; A68-L302 VanDerWaalsContact CB-CB 3.43Å; L296-L302 HydrophobicContact CD2-CD2 3.45Å; L296-L302 VanDerWaalsContact CD2-CD2 3.45Å; L302-D304 VanDerWaalsContact C-N 3.26Å; L302-D304 PolarHBondContact O-N 3.37Å; L302-V305 WeakPolarHBondContact O-CB 3.4Å; L302-V305 PolarHBondContact O-N 3.45Å; L302-C306 PolarHBondContact O-N 3.18Å; L302-C306 VanDerWaalsContact O-N 3.12Å; L302-L326 HydrophobicContact CD2-CD2 4.42Å; L302-C328 HydrophobicContact CD1-CB 4.5Å
303	R	98	Very high	97.6	Very high	82 Å²	82	29.8 Å²	29.8	31%	0.309	16%	0.156	S	C	.	.	H	α-helix	trans	-65.7	-32.6	174.7	-59.6	173.9	-67.4	-178.4	-3.5	111.3	T56 E58 A68 D301 V305 C306 T307	T56-R303 HydrophobicContact CG2-CB 4.42Å; E58-R303 HydrophobicContact CB-CG 4Å; E58-R303 HydrophobicContact CG-CG 4.38Å; E58-R303 IonicContact OE1-CZ 3.21Å; E58-R303 IonicContact OE1-NE 2.74Å; E58-R303 IonicContact OE1-NH1 3.58Å; E58-R303 IonicContact OE1-NH2 3.97Å; E58-R303 PolarHBondContact OE1-NH2 2.85Å; A68-R303 HydrophobicContact CB-CG 4.22Å; D301-R303 VanDerWaalsContact C-N 3.26Å; D301-R303 PolarHBondContact O-N 3.35Å; D301-R303 WeakPolarHBondContact OD1-CB 3.24Å; D301-R303 WeakPolarHBondContact OD1-CG 3.48Å; D301-R303 IonicContact OD1-CZ 3.42Å; D301-R303 PolarHBondContact OD1-N 3.22Å; D301-R303 IonicContact OD1-NE 2.77Å; D301-R303 PolarHBondContact OD1-NE 3.34Å; D301-R303 VanDerWaalsContact OD1-NE 3.1Å; D301-R303 IonicContact OD2-CZ 3.52Å; D301-R303 VanDerWaalsContact OD2-CZ 3.27Å; D301-R303 IonicContact OD2-NE 3.5Å; D301-R303 PolarHBondContact OD2-NE 2.9Å; D301-R303 VanDerWaalsContact OD2-NE 3.07Å; D301-R303 IonicContact OD2-NH2 3.93Å; D301-R303 PolarHBondContact OD2-NH2 3.33Å; R303-V305 VanDerWaalsContact C-N 3.31Å; R303-C306 PolarHBondContact O-N 2.93Å; R303-T307 VanDerWaalsContact O-CB 3.29Å; R303-T307 WeakPolarHBondContact O-CB 3.39Å; R303-T307 PolarHBondContact O-N 3.34Å; R303-T307 PolarHBondContact O-OG1 2.74Å
304	D	97.6	Very high	97.5	Very high	77 Å²	77	27.8 Å²	27.8	41%	0.412	15%	0.147	S	C	.	.	H	α-helix	trans	-67	-35.8	174.9	-70.4	-17.3	0	0	0	111.2	D301 L302 T307 Q308	D301-D304 HydrophobicContact CB-CB 4.38Å; D301-D304 WeakPolarHBondContact O-CB 3.43Å; D301-D304 PolarHBondContact O-N 2.81Å; L302-D304 VanDerWaalsContact C-N 3.26Å; L302-D304 PolarHBondContact O-N 3.37Å; D304-T307 PolarHBondContact O-N 3.49Å; D304-Q308 WeakPolarHBondContact O-CB 3.38Å; D304-Q308 VanDerWaalsContact O-CG 3.3Å; D304-Q308 WeakPolarHBondContact O-CG 3.36Å; D304-Q308 PolarHBondContact O-N 2.84Å; D304-Q308 PolarHBondContact O-NE2 3.09Å
305	V	98.4	Very high	97.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-49.2	174.8	-175.7	0	0	0	0	110.2	V292 R295 L296 C299 L302 R303 T307 Q308 V309 L326	V292-V305 HydrophobicContact CG1-CG1 4.3Å; V292-V305 HydrophobicContact CG2-CG1 4.46Å; R295-V305 HydrophobicContact CB-CG1 3.94Å; R295-V305 HydrophobicContact CB-CG2 4.19Å; L296-V305 HydrophobicContact CD2-CG2 4.28Å; C299-V305 HydrophobicContact CB-CG2 3.66Å; L302-V305 WeakPolarHBondContact O-CB 3.4Å; L302-V305 PolarHBondContact O-N 3.45Å; R303-V305 VanDerWaalsContact C-N 3.31Å; V305-T307 VanDerWaalsContact C-N 3.32Å; V305-T307 PolarHBondContact O-N 2.8Å; V305-Q308 PolarHBondContact O-N 2.76Å; V305-V309 WeakPolarHBondContact O-CG2 3.47Å; V305-V309 PolarHBondContact O-N 2.96Å; V305-L326 HydrophobicContact CB-CD2 4.02Å; V305-L326 HydrophobicContact CG1-CD2 3.71Å
306	C	98.7	Very high	97	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-43	175.6	-69.6	0	0	0	0	111.9	L302 R303 Q308 V309 I310 I324	L302-C306 PolarHBondContact O-N 3.18Å; L302-C306 VanDerWaalsContact O-N 3.12Å; R303-C306 PolarHBondContact O-N 2.93Å; C306-Q308 PolarHBondContact O-N 3Å; C306-V309 PolarHBondContact O-N 3.23Å; C306-I310 VanDerWaalsContact O-CG1 3.3Å; C306-I310 WeakPolarHBondContact O-CG1 3.45Å; C306-I310 PolarHBondContact O-N 3.35Å; C306-I324 HydrophobicContact CB-CG2 3.99Å
307	T	98.4	Very high	96.7	Very high	34 Å²	34	29.5 Å²	29.5	21%	0.209	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-44.4	177	-67.8	0	0	0	0	111.8	K54 R303 D304 V305 I310 D311	K54-T307 HydrophobicContact CD-CG2 3.7Å; R303-T307 VanDerWaalsContact O-CB 3.29Å; R303-T307 WeakPolarHBondContact O-CB 3.39Å; R303-T307 PolarHBondContact O-N 3.34Å; R303-T307 PolarHBondContact O-OG1 2.74Å; D304-T307 PolarHBondContact O-N 3.49Å; V305-T307 VanDerWaalsContact C-N 3.32Å; V305-T307 PolarHBondContact O-N 2.8Å; T307-I310 PolarHBondContact O-N 3.05Å; T307-D311 WeakPolarHBondContact O-CB 3.29Å; T307-D311 PolarHBondContact O-N 2.9Å
308	Q	98.5	Very high	96.6	Very high	46 Å²	46	27.4 Å²	27.4	22%	0.215	15%	0.149	C	C	.	.	H	α-helix	trans	-66.1	-36.3	177.2	-77.5	176.2	68.7	0	0	112.6	F291 C299 D304 V305 C306 L312	F291-Q308 HydrophobicContact CE1-CB 4.24Å; F291-Q308 HydrophobicContact CZ-CB 4.15Å; C299-Q308 PolarHBondContact SG-NE2 2.92Å; D304-Q308 WeakPolarHBondContact O-CB 3.38Å; D304-Q308 VanDerWaalsContact O-CG 3.3Å; D304-Q308 WeakPolarHBondContact O-CG 3.36Å; D304-Q308 PolarHBondContact O-N 2.84Å; D304-Q308 PolarHBondContact O-NE2 3.09Å; V305-Q308 PolarHBondContact O-N 2.76Å; C306-Q308 PolarHBondContact O-N 3Å; Q308-L312 WeakPolarHBondContact O-CB 3.39Å; Q308-L312 PolarHBondContact O-N 3.11Å
309	V	98.7	Very high	96.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-45.6	173.6	173.1	0	0	0	0	111	V279 L288 F291 V292 V305 C306 L312 C313 I324	V279-V309 HydrophobicContact CG1-CG1 4.34Å; L288-V309 HydrophobicContact CD1-CB 4.33Å; L288-V309 HydrophobicContact CD1-CG1 3.56Å; L288-V309 HydrophobicContact CD1-CG2 3.76Å; F291-V309 HydrophobicContact CD1-CG2 3.96Å; F291-V309 HydrophobicContact CE1-CG2 3.95Å; V292-V309 HydrophobicContact CG2-CG2 3.99Å; V305-V309 WeakPolarHBondContact O-CG2 3.47Å; V305-V309 PolarHBondContact O-N 2.96Å; C306-V309 PolarHBondContact O-N 3.23Å; V309-L312 WeakPolarHBondContact O-CB 3.35Å; V309-L312 PolarHBondContact O-N 3.3Å; V309-C313 PolarHBondContact O-N 2.79Å; V309-C313 PolarHBondContact O-SG 3.02Å; V309-I324 HydrophobicContact CB-CD1 4.11Å; V309-I324 HydrophobicContact CG1-CD1 3.67Å; V309-I324 HydrophobicContact CG2-CD1 4.27Å
310	I	98.6	Very high	96.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-49.1	178.6	-68.9	166.2	0	0	0	110.7	K54 G70 M72 C306 T307 L312 C313 L314 I322 I324	K54-I310 HydrophobicContact CD-CD1 4.45Å; K54-I310 HydrophobicContact CD-CG2 4.45Å; G70-I310 VanDerWaalsContact C-CD1 3.49Å; M72-I310 HydrophobicContact CB-CG2 3.62Å; M72-I310 HydrophobicContact CE-CG2 3.56Å; M72-I310 HydrophobicContact CG-CG2 4.26Å; M72-I310 HydrophobicContact SD-CG2 3.67Å; C306-I310 VanDerWaalsContact O-CG1 3.3Å; C306-I310 WeakPolarHBondContact O-CG1 3.45Å; C306-I310 PolarHBondContact O-N 3.35Å; T307-I310 PolarHBondContact O-N 3.05Å; I310-L312 VanDerWaalsContact C-N 3.33Å; I310-L312 PolarHBondContact O-N 3.03Å; I310-C313 PolarHBondContact O-N 2.87Å; I310-L314 WeakPolarHBondContact O-CB 3.21Å; I310-L314 PolarHBondContact O-N 3.4Å; I310-I322 HydrophobicContact CB-CG2 4.39Å; I310-I322 HydrophobicContact CG1-CG2 3.97Å; I310-I322 HydrophobicContact CG2-CB 4.35Å; I310-I322 HydrophobicContact CG2-CD1 4.49Å; I310-I322 HydrophobicContact CG2-CG2 4.3Å; I310-I324 HydrophobicContact CD1-CG2 4.15Å; I310-I324 HydrophobicContact CG1-CG2 4Å
311	D	97.6	Very high	96.9	Very high	15 Å²	15	22.5 Å²	22.5	8%	0.08	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-41.4	178.4	-78.9	-12	0	0	0	111.3	K54 T307 C313 L314 Y315 N396	K54-D311 WeakPolarHBondContact CE-OD1 3.45Å; K54-D311 IonicContact NZ-OD1 2.71Å; K54-D311 PolarHBondContact NZ-OD1 3.48Å; K54-D311 IonicContact NZ-OD2 2.75Å; T307-D311 WeakPolarHBondContact O-CB 3.29Å; T307-D311 PolarHBondContact O-N 2.9Å; D311-C313 PolarHBondContact O-N 3.23Å; D311-L314 WeakPolarHBondContact O-CB 3.44Å; D311-L314 PolarHBondContact O-N 3.25Å; D311-Y315 HydrophobicContact CB-CD2 4.38Å; D311-Y315 HydrophobicContact CB-CE2 3.82Å; D311-Y315 WeakPolarHBondContact O-CB 3.23Å; D311-Y315 WeakPolarHBondContact O-CD2 3.21Å; D311-Y315 PolarHBondContact O-N 2.84Å; D311-N396 PolarHBondContact OD2-ND2 3.23Å
312	L	97.8	Very high	97	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-57.2	-48.1	174.7	173.9	60.8	0	0	0	111.6	I283 F291 Q308 V309 I310 Y315 K316 G389 Q392	I283-L312 HydrophobicContact CD1-CD2 3.67Å; F291-L312 HydrophobicContact CD1-CD2 3.73Å; F291-L312 HydrophobicContact CD2-CD2 4.33Å; F291-L312 HydrophobicContact CE1-CD2 3.77Å; F291-L312 HydrophobicContact CE2-CD2 4.37Å; F291-L312 HydrophobicContact CG-CD2 4.02Å; F291-L312 HydrophobicContact CZ-CD2 4.1Å; Q308-L312 WeakPolarHBondContact O-CB 3.39Å; Q308-L312 PolarHBondContact O-N 3.11Å; V309-L312 WeakPolarHBondContact O-CB 3.35Å; V309-L312 PolarHBondContact O-N 3.3Å; I310-L312 VanDerWaalsContact C-N 3.33Å; I310-L312 PolarHBondContact O-N 3.03Å; L312-Y315 PolarHBondContact O-N 3.32Å; L312-K316 HydrophobicContact CD1-CD 3.85Å; L312-K316 HydrophobicContact CD1-CG 4.04Å; L312-K316 HydrophobicContact CG-CD 4.1Å; L312-K316 WeakPolarHBondContact O-CB 3.35Å; L312-K316 WeakPolarHBondContact O-CG 3.47Å; L312-K316 PolarHBondContact O-N 3.03Å; L312-G389 WeakPolarHBondContact CD1-O 3.44Å; L312-Q392 HydrophobicContact CD1-CB 3.78Å
313	C	97.9	Very high	97.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-42.8	-179.5	-64.2	0	0	0	0	111.2	T282 V309 I310 D311 Y315 K316 G317 S318 I322	T282-C313 WeakPolarHBondContact OG1-CA 3.1Å; T282-C313 WeakPolarHBondContact OG1-CB 3.4Å; T282-C313 PolarHBondContact OG1-SG 3.02Å; V309-C313 PolarHBondContact O-N 2.79Å; V309-C313 PolarHBondContact O-SG 3.02Å; I310-C313 PolarHBondContact O-N 2.87Å; D311-C313 PolarHBondContact O-N 3.23Å; C313-Y315 VanDerWaalsContact C-N 3.3Å; C313-Y315 PolarHBondContact O-N 3.48Å; C313-K316 PolarHBondContact O-N 2.92Å; C313-G317 PolarHBondContact O-N 3.03Å; C313-S318 WeakPolarHBondContact O-CB 3.46Å; C313-S318 PolarHBondContact O-N 3.18Å; C313-I322 HydrophobicContact CB-CD1 4.07Å
314	L	96	Very high	97.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-57	-43.4	172.3	-177.8	70.9	0	0	0	111.7	L8 L52 M72 I310 D311 G317 I322	L8-L314 HydrophobicContact CD2-CD1 4.05Å; L8-L314 HydrophobicContact CD2-CD2 3.9Å; L8-L314 HydrophobicContact CD2-CG 3.85Å; L52-L314 HydrophobicContact CD2-CD2 3.45Å; L52-L314 VanDerWaalsContact CD2-CD2 3.45Å; M72-L314 HydrophobicContact CE-CB 4.07Å; M72-L314 HydrophobicContact CE-CD1 3.94Å; M72-L314 HydrophobicContact CE-CD2 4Å; M72-L314 HydrophobicContact CE-CG 4.21Å; M72-L314 HydrophobicContact SD-CD2 4.43Å; I310-L314 WeakPolarHBondContact O-CB 3.21Å; I310-L314 PolarHBondContact O-N 3.4Å; D311-L314 WeakPolarHBondContact O-CB 3.44Å; D311-L314 PolarHBondContact O-N 3.25Å; L314-G317 WeakPolarHBondContact O-CA 3.42Å; L314-G317 PolarHBondContact O-N 2.82Å; L314-I322 HydrophobicContact CB-CD1 4.45Å
315	Y	93.9	Very high	97.2	Very high	11 Å²	11	12.1 Å²	12.1	4%	0.043	7%	0.067	C	C	.	.	H	α-helix	trans	-75.9	-28.7	-179.7	-60.5	-24.3	0	0	0	114	F4 L8 D311 L312 C313 Q392 R395 N396	F4-Y315 AromaticContact CE2-CE1 3.86Å; F4-Y315 HydrophobicContact CE2-CE1 3.86Å; F4-Y315 AromaticContact CZ-CE1 3.63Å; F4-Y315 HydrophobicContact CZ-CE1 3.63Å; L8-Y315 HydrophobicContact CD1-CD1 3.89Å; L8-Y315 HydrophobicContact CD1-CE1 4.16Å; D311-Y315 HydrophobicContact CB-CD2 4.38Å; D311-Y315 HydrophobicContact CB-CE2 3.82Å; D311-Y315 WeakPolarHBondContact O-CB 3.23Å; D311-Y315 WeakPolarHBondContact O-CD2 3.21Å; D311-Y315 PolarHBondContact O-N 2.84Å; L312-Y315 PolarHBondContact O-N 3.32Å; C313-Y315 VanDerWaalsContact C-N 3.3Å; C313-Y315 PolarHBondContact O-N 3.48Å; Y315-Q392 WeakPolarHBondContact CD2-O 3.23Å; Y315-R395 HydrophobicContact CD2-CB 3.55Å; Y315-R395 HydrophobicContact CD2-CG 4.17Å; Y315-R395 HydrophobicContact CE2-CB 3.67Å; Y315-R395 HydrophobicContact CE2-CG 4.26Å; Y315-R395 HydrophobicContact CG-CB 4.23Å; Y315-R395 VanDerWaalsContact CG-CD 3.47Å; Y315-R395 HydrophobicContact CG-CG 4.43Å; Y315-N396 PolarHBondContact OH-OD1 2.9Å
316	K	93.1	Very high	97.3	Very high	47 Å²	47	12.1 Å²	12.1	20%	0.204	7%	0.067	C	C	.	.	H	α-helix	trans	-71.8	-20.3	168.7	-72.2	-178.3	99.3	166.6	0	111.1	R15 T282 E287 L312 C313 G388 Q392	R15-K316 PolarHBondContact NH1-O 3.37Å; T282-K316 WeakPolarHBondContact O-CD 3.32Å; T282-K316 WeakPolarHBondContact O-CE 3.39Å; E287-K316 IonicContact OE1-NZ 3.01Å; E287-K316 IonicContact OE2-NZ 3.43Å; E287-K316 PolarHBondContact OE2-NZ 3.17Å; L312-K316 HydrophobicContact CD1-CD 3.85Å; L312-K316 HydrophobicContact CD1-CG 4.04Å; L312-K316 HydrophobicContact CG-CD 4.1Å; L312-K316 WeakPolarHBondContact O-CB 3.35Å; L312-K316 WeakPolarHBondContact O-CG 3.47Å; L312-K316 PolarHBondContact O-N 3.03Å; C313-K316 PolarHBondContact O-N 2.92Å; K316-G388 PolarHBondContact NZ-O 3.14Å; K316-Q392 HydrophobicContact CG-CB 4.33Å; K316-Q392 HydrophobicContact CG-CG 4.25Å
317	G	92.5	Very high	97.2	Very high	21 Å²	21	12.1 Å²	12.1	22%	0.216	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.9	23.2	164.1	0	0	0	0	0	115	C313 L314 L319	C313-G317 PolarHBondContact O-N 3.03Å; L314-G317 WeakPolarHBondContact O-CA 3.42Å; L314-G317 PolarHBondContact O-N 2.82Å; G317-L319 PolarHBondContact O-N 3.36Å
318	S	95.6	Very high	97.2	Very high	6 Å²	6	10.7 Å²	10.7	4%	0.042	6%	0.058	C	C	.	.			trans	-58.5	128.6	173.7	-177.4	0	0	0	0	109.5	W75 G278 C313 D320	W75-S318 VanDerWaalsContact CD1-O 3.27Å; G278-S318 VanDerWaalsContact O-CB 3.27Å; G278-S318 WeakPolarHBondContact O-CB 3.25Å; G278-S318 PolarHBondContact O-OG 2.79Å; C313-S318 WeakPolarHBondContact O-CB 3.46Å; C313-S318 PolarHBondContact O-N 3.18Å; S318-D320 PolarHBondContact OG-N 3.12Å
319	L	95.3	Very high	97.2	Very high	39 Å²	39	8.9 Å²	8.9	20%	0.204	5%	0.05	C	C	.	.			trans	-105.3	9.6	175.5	-54.9	-174.4	0	0	0	111.7	T12 V16 Y46 W75 R76 G317	T12-L319 HydrophobicContact CG2-CD1 4.34Å; T12-L319 HydrophobicContact CG2-CD2 3.37Å; V16-L319 HydrophobicContact CG2-CD1 3.68Å; Y46-L319 HydrophobicContact CD1-CB 4.15Å; Y46-L319 HydrophobicContact CE1-CB 3.71Å; Y46-L319 HydrophobicContact CE1-CD1 4.38Å; W75-L319 HydrophobicContact CB-CB 4.3Å; W75-L319 HydrophobicContact CB-CD2 4.46Å; W75-L319 WeakPolarHBondContact CB-O 3.48Å; W75-L319 HydrophobicContact CD2-CD2 4.33Å; W75-L319 HydrophobicContact CG-CD2 3.91Å; R76-L319 WeakPolarHBondContact CD-O 3.39Å; G317-L319 PolarHBondContact O-N 3.36Å
320	D	97.1	Very high	97	Very high	23 Å²	23	13.3 Å²	13.3	12%	0.123	8%	0.079	C	C	.	.	S	Bend	trans	-101.8	176.1	-173	-135.1	-35.6	0	0	0	113.4	R76 S318	R76-D320 WeakPolarHBondContact CG-OD1 3.42Å; R76-D320 IonicContact CZ-OD1 3.23Å; R76-D320 IonicContact CZ-OD2 2.67Å; R76-D320 IonicContact NE-OD1 3.56Å; R76-D320 PolarHBondContact NE-OD1 3.26Å; R76-D320 IonicContact NE-OD2 2.79Å; R76-D320 PolarHBondContact NE-OD2 2.67Å; R76-D320 IonicContact NH1-OD1 3.41Å; R76-D320 IonicContact NH2-OD1 2.87Å; R76-D320 PolarHBondContact NH2-OD1 2.77Å; R76-D320 IonicContact NH2-OD2 2.85Å; R76-D320 PolarHBondContact NH2-OD2 2.81Å; S318-D320 PolarHBondContact OG-N 3.12Å
321	N	98.6	Very high	96.8	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.011	9%	0.092	C	C	.	.			trans	-61.4	145.1	154.4	-63.7	159.2	0	0	0	108.9	Q73 N78 M79 E80 D81 G278	Q73-N321 PolarHBondContact O-ND2 3.25Å; N78-N321 PolarHBondContact O-ND2 3.47Å; N78-N321 PolarHBondContact O-OD1 2.69Å; M79-N321 WeakPolarHBondContact CA-OD1 3.24Å; M79-N321 HydrophobicContact SD-CB 3.82Å; M79-N321 VanDerWaalsContact SD-CG 3.6Å; E80-N321 PolarHBondContact N-OD1 2.97Å; D81-N321 HydrophobicContact CB-CB 4.43Å; G278-N321 WeakPolarHBondContact CA-O 3.25Å
322	I	98.8	Very high	96.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	114.4	-176.8	-49.6	-176.7	0	0	0	107.7	S71 M72 V279 I310 C313 L314	S71-I322 CarbonylContact C-O 3.49Å; S71-I322 WeakPolarHBondContact CA-O 3.47Å; M72-I322 HydrophobicContact CE-CD1 3.83Å; M72-I322 HydrophobicContact CE-CG1 4.43Å; M72-I322 PolarHBondContact N-O 2.82Å; M72-I322 PolarHBondContact O-N 3.49Å; V279-I322 HydrophobicContact CG2-CG2 3.52Å; I310-I322 HydrophobicContact CB-CG2 4.39Å; I310-I322 HydrophobicContact CG1-CG2 3.97Å; I310-I322 HydrophobicContact CG2-CB 4.35Å; I310-I322 HydrophobicContact CG2-CD1 4.49Å; I310-I322 HydrophobicContact CG2-CG2 4.3Å; C313-I322 HydrophobicContact CB-CD1 4.07Å; L314-I322 HydrophobicContact CB-CD1 4.45Å
323	S	98.8	Very high	96.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.1	176.7	-61.4	0	0	0	0	110.7	G70 S71 D81 A275 C276	G70-S323 WeakPolarHBondContact O-CA 3.44Å; S71-S323 WeakPolarHBondContact CB-OG 3.4Å; D81-S323 WeakPolarHBondContact CB-OG 3.15Å; D81-S323 VanDerWaalsContact OD2-CB 3.25Å; D81-S323 WeakPolarHBondContact OD2-CB 3.27Å; D81-S323 PolarHBondContact OD2-N 2.79Å; D81-S323 PolarHBondContact OD2-OG 2.81Å; A275-S323 WeakPolarHBondContact CA-O 3.36Å; A275-S323 VanDerWaalsContact CB-O 3.23Å; A275-S323 WeakPolarHBondContact CB-O 3.48Å; C276-S323 PolarHBondContact N-O 3.07Å; C276-S323 PolarHBondContact SG-N 2.84Å
324	I	98.9	Very high	96.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	135.9	180	-179.4	166.2	0	0	0	110.7	L69 G70 V273 L274 A275 C306 V309 I310	L69-I324 CarbonylContact C-O 3.6Å; L69-I324 WeakPolarHBondContact CA-O 3.31Å; G70-I324 PolarHBondContact N-O 2.94Å; G70-I324 PolarHBondContact O-N 3.01Å; V273-I324 HydrophobicContact CG1-CD1 3.65Å; V273-I324 HydrophobicContact CG1-CG1 3.85Å; L274-I324 CarbonylContact O-C 3.59Å; L274-I324 WeakPolarHBondContact O-CA 3.47Å; A275-I324 HydrophobicContact CB-CB 4.17Å; A275-I324 HydrophobicContact CB-CG1 4.3Å; C306-I324 HydrophobicContact CB-CG2 3.99Å; V309-I324 HydrophobicContact CB-CD1 4.11Å; V309-I324 HydrophobicContact CG1-CD1 3.67Å; V309-I324 HydrophobicContact CG2-CD1 4.27Å; I310-I324 HydrophobicContact CD1-CG2 4.15Å; I310-I324 HydrophobicContact CG1-CG2 4Å
325	I	98.9	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.5	164.8	-57.2	171.4	0	0	0	107.5	A68 L69 H83 F99 A100 V101 V273 L274 L327	A68-I325 CarbonylContact O-C 3.49Å; A68-I325 WeakPolarHBondContact O-CA 3.29Å; L69-I325 HydrophobicContact CD1-CG1 3.85Å; H83-I325 HydrophobicContact CB-CD1 4.23Å; F99-I325 HydrophobicContact CB-CD1 4.34Å; F99-I325 HydrophobicContact CD1-CG2 4.05Å; A100-I325 WeakPolarHBondContact O-CD1 3.49Å; V101-I325 HydrophobicContact CG2-CD1 3.72Å; V101-I325 HydrophobicContact CG2-CG1 3.88Å; V273-I325 CarbonylContact C-O 3.51Å; V273-I325 WeakPolarHBondContact CA-O 3.42Å; L274-I325 HydrophobicContact CB-CB 4.36Å; L274-I325 PolarHBondContact N-O 3.3Å; L274-I325 PolarHBondContact O-N 2.8Å; I325-L327 HydrophobicContact CG2-CD2 3.84Å; I325-L327 HydrophobicContact CG2-CG 4.2Å
326	L	98.8	Very high	96.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.3	172.2	175.7	61.1	0	0	0	109	Y67 A68 F271 V273 V292 L296 L302 V305	Y67-L326 CarbonylContact C-O 3.58Å; Y67-L326 WeakPolarHBondContact CA-O 3.43Å; Y67-L326 WeakPolarHBondContact CB-O 3.3Å; A68-L326 PolarHBondContact N-O 2.86Å; A68-L326 PolarHBondContact O-N 3.43Å; F271-L326 HydrophobicContact CB-CD1 3.89Å; F271-L326 HydrophobicContact CD2-CD1 3.96Å; F271-L326 HydrophobicContact CG-CD1 4.12Å; V273-L326 HydrophobicContact CG2-CD1 3.95Å; V292-L326 HydrophobicContact CG1-CD1 3.73Å; V292-L326 HydrophobicContact CG1-CD2 4.11Å; L296-L326 HydrophobicContact CD2-CD2 4.35Å; L302-L326 HydrophobicContact CD2-CD2 4.42Å; V305-L326 HydrophobicContact CB-CD2 4.02Å; V305-L326 HydrophobicContact CG1-CD2 3.71Å
327	L	98.4	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.3	174	-56.1	178.8	0	0	0	108.7	L65 T66 Y67 F99 T171 L173 F271 L272 L274 I325	L65-L327 HydrophobicContact CD1-CB 4.29Å; T66-L327 CarbonylContact O-C 3.31Å; T66-L327 WeakPolarHBondContact O-CA 3.35Å; Y67-L327 VanDerWaalsContact CB-CD2 3.41Å; Y67-L327 HydrophobicContact CG-CD2 4.36Å; F99-L327 HydrophobicContact CB-CD1 4.34Å; F99-L327 HydrophobicContact CD1-CD2 3.7Å; F99-L327 HydrophobicContact CD2-CD1 3.71Å; F99-L327 HydrophobicContact CD2-CD2 3.69Å; F99-L327 HydrophobicContact CD2-CG 4.37Å; F99-L327 HydrophobicContact CE1-CD2 3.63Å; F99-L327 HydrophobicContact CE2-CD1 4.19Å; F99-L327 HydrophobicContact CE2-CD2 3.61Å; F99-L327 HydrophobicContact CG-CD1 4.06Å; F99-L327 HydrophobicContact CG-CD2 3.73Å; F99-L327 HydrophobicContact CG-CG 4.47Å; F99-L327 HydrophobicContact CZ-CD2 3.57Å; T171-L327 HydrophobicContact CG2-CD1 4.03Å; L173-L327 HydrophobicContact CD1-CD1 4.07Å; F271-L327 CarbonylContact C-O 3.54Å; F271-L327 WeakPolarHBondContact CA-O 3.46Å; F271-L327 WeakPolarHBondContact CB-O 3.25Å; L272-L327 HydrophobicContact CB-CB 4.17Å; L272-L327 HydrophobicContact CB-CD1 4.38Å; L272-L327 HydrophobicContact CD2-CD1 3.85Å; L272-L327 HydrophobicContact CG-CD1 4.08Å; L272-L327 PolarHBondContact N-O 3.32Å; L272-L327 PolarHBondContact O-N 3.36Å; L274-L327 HydrophobicContact CD1-CD1 4.31Å; I325-L327 HydrophobicContact CG2-CD2 3.84Å; I325-L327 HydrophobicContact CG2-CG 4.2Å
328	C	98	Very high	97.3	Very high	5 Å²	5	34 Å²	34	3%	0.034	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.4	175.3	-70	0	0	0	0	110.5	T66 L302 A332	T66-C328 PolarHBondContact N-O 3.15Å; T66-C328 VanDerWaalsContact N-O 3.09Å; T66-C328 PolarHBondContact O-N 3.29Å; T66-C328 WeakPolarHBondContact OG1-CB 3.43Å; L302-C328 HydrophobicContact CD1-CB 4.5Å; C328-A332 HydrophobicContact CB-CB 3.94Å
329	F	97	Very high	97.4	Very high	7 Å²	7	34 Å²	34	3%	0.031	20%	0.202	C	C	.	.			trans	-88.8	169.4	173.6	-63.8	-76.7	0	0	0	110.4	L65 L173 I178 L190 D269 E270 L272 G331 A332	L65-F329 HydrophobicContact CD1-CD1 3.91Å; L65-F329 HydrophobicContact CD1-CE1 3.89Å; L173-F329 HydrophobicContact CD2-CE1 3.61Å; L173-F329 HydrophobicContact CD2-CZ 3.74Å; I178-F329 HydrophobicContact CD1-CE1 4.34Å; I178-F329 HydrophobicContact CD1-CE2 4.36Å; I178-F329 HydrophobicContact CD1-CZ 3.68Å; L190-F329 HydrophobicContact CD1-CE2 3.69Å; L190-F329 HydrophobicContact CD1-CZ 4.36Å; D269-F329 HydrophobicContact CB-CB 4.29Å; D269-F329 HydrophobicContact CB-CD2 3.76Å; D269-F329 HydrophobicContact CB-CE2 4.23Å; D269-F329 HydrophobicContact CB-CG 3.98Å; D269-F329 VanDerWaalsContact O-CB 3.29Å; D269-F329 WeakPolarHBondContact O-CB 3.27Å; E270-F329 PolarHBondContact O-N 2.85Å; L272-F329 HydrophobicContact CB-CE2 3.87Å; L272-F329 HydrophobicContact CB-CZ 4.33Å; F329-G331 PolarHBondContact O-N 2.98Å; F329-A332 VanDerWaalsContact O-CB 3.22Å; F329-A332 WeakPolarHBondContact O-CB 3.41Å; F329-A332 PolarHBondContact O-N 3.4Å
330	P	95.2	Very high	97.5	Very high	95 Å²	95	35.9 Å²	35.9	62%	0.617	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.7	175.3	-28	36.5	0	0	0	114.8	A332	P330-A332 VanDerWaalsContact C-N 3.31Å
331	G	95.6	Very high	97.6	Very high	28 Å²	28	40.3 Å²	40.3	29%	0.289	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-2.6	175.8	0	0	0	0	0	114.7	D269 F329	D269-G331 WeakPolarHBondContact O-CA 3.29Å; D269-G331 PolarHBondContact O-N 2.82Å; F329-G331 PolarHBondContact O-N 2.98Å
332	A	97.1	Very high	97.5	Very high	9 Å²	9	45 Å²	45	7%	0.074	25%	0.253	C	S	.	.	S	Bend	trans	-55.7	144.8	-179.2	0	0	0	0	0	112.2	E270 C328 F329 P330 Q334	E270-A332 WeakPolarHBondContact O-CB 3.43Å; C328-A332 HydrophobicContact CB-CB 3.94Å; F329-A332 VanDerWaalsContact O-CB 3.22Å; F329-A332 WeakPolarHBondContact O-CB 3.41Å; F329-A332 PolarHBondContact O-N 3.4Å; P330-A332 VanDerWaalsContact C-N 3.31Å; A332-Q334 PolarHBondContact O-N 2.96Å; A332-Q334 PolarHBondContact O-NE2 2.71Å
333	P	97	Very high	97.5	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.123	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-51.2	137.8	172.1	-25.6	33.4	0	0	0	111.3	H293 L296 Q297	H293-P333 VanDerWaalsContact CE1-CG 3.44Å; H293-P333 WeakPolarHBondContact CE1-CG 3.26Å; H293-P333 VanDerWaalsContact ND1-CG 3.27Å; H293-P333 WeakPolarHBondContact ND1-CG 3.45Å; L296-P333 HydrophobicContact CB-CB 4.05Å; L296-P333 HydrophobicContact CB-CG 4.39Å; L296-P333 HydrophobicContact CD1-CG 4.43Å; Q297-P333 HydrophobicContact CG-CB 3.79Å
334	Q	94.9	Very high	97.4	Very high	138 Å²	138	48.4 Å²	48.4	65%	0.645	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-100.4	163.7	174.9	-58.2	-59.6	-56.3	0	0	109.4	A332 S336	A332-Q334 PolarHBondContact O-N 2.96Å; A332-Q334 PolarHBondContact O-NE2 2.71Å; Q334-S336 PolarHBondContact O-N 2.95Å
335	L	97	Very high	97.4	Very high	87 Å²	87	53.4 Å²	53.4	46%	0.455	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-51.5	131.8	173.7	-68.1	170.9	0	0	0	111.2	Q297 C299 T300	Q297-L335 WeakPolarHBondContact O-CA 3.46Å; C299-L335 WeakPolarHBondContact O-CD2 3.14Å; T300-L335 HydrophobicContact CG2-CD1 3.64Å; T300-L335 HydrophobicContact CG2-CD2 4.29Å
336	S	97.9	Very high	97.3	Very high	33 Å²	33	53.8 Å²	53.8	23%	0.231	30%	0.302	C	S	.	.			trans	-116.1	122.9	178.5	171.5	0	0	0	0	109.6	Q297 Q334 E338 A339 L340	Q297-S336 PolarHBondContact O-N 3.43Å; Q334-S336 PolarHBondContact O-N 2.95Å; S336-E338 PolarHBondContact O-N 3.39Å; S336-E338 PolarHBondContact OG-N 2.78Å; S336-A339 PolarHBondContact O-N 2.89Å; S336-A339 VanDerWaalsContact O-N 3.14Å; S336-A339 PolarHBondContact OG-N 2.88Å; S336-L340 WeakPolarHBondContact O-CB 3.29Å; S336-L340 WeakPolarHBondContact O-CG 3.16Å; S336-L340 PolarHBondContact O-N 2.68Å
337	A	97.6	Very high	97.2	Very high	83 Å²	83	57.4 Å²	57.4	69%	0.686	32%	0.319	S	S	*	.	H	α-helix	trans	-59.6	-33.7	175.2	0	0	0	0	0	111.9	H341	A337-H341 WeakPolarHBondContact O-CB 3.41Å; A337-H341 PolarHBondContact O-N 3.01Å; A337-H341 VanDerWaalsContact O-N 3.1Å
338	E	97.7	Very high	97.2	Very high	135 Å²	135	62.7 Å²	62.7	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-67.8	-45.9	174.5	-177.3	177.1	-179.2	0	0	111.3	S336 L340 H341 Q342	S336-E338 PolarHBondContact O-N 3.39Å; S336-E338 PolarHBondContact OG-N 2.78Å; E338-L340 PolarHBondContact O-N 3.06Å; E338-H341 PolarHBondContact O-N 3.07Å; E338-Q342 WeakPolarHBondContact O-CG 3.46Å; E338-Q342 PolarHBondContact O-N 3.22Å; E338-Q342 PolarHBondContact OE1-NE2 3.33Å
339	A	97.6	Very high	97.2	Very high	7 Å²	7	65.3 Å²	65.3	6%	0.058	36%	0.36	C	S	.	.	H	α-helix	trans	-65.5	-39	178.7	0	0	0	0	0	112	Q297 V298 S336 H341 Q342 E343	Q297-A339 HydrophobicContact CB-CB 3.88Å; V298-A339 HydrophobicContact CG1-CB 3.74Å; S336-A339 PolarHBondContact O-N 2.89Å; S336-A339 VanDerWaalsContact O-N 3.14Å; S336-A339 PolarHBondContact OG-N 2.88Å; A339-H341 VanDerWaalsContact C-N 3.34Å; A339-Q342 PolarHBondContact O-N 2.79Å; A339-E343 WeakPolarHBondContact O-CB 3.26Å; A339-E343 PolarHBondContact O-N 3.17Å
340	L	97.8	Very high	97.2	Very high	79 Å²	79	65 Å²	65	41%	0.414	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-40.6	174.9	-74.7	167.8	0	0	0	112	V298 S336 E338 E343 A344	V298-L340 HydrophobicContact CB-CD2 4.08Å; V298-L340 HydrophobicContact CG1-CD2 4.37Å; V298-L340 WeakPolarHBondContact O-CD2 3.49Å; S336-L340 WeakPolarHBondContact O-CB 3.29Å; S336-L340 WeakPolarHBondContact O-CG 3.16Å; S336-L340 PolarHBondContact O-N 2.68Å; E338-L340 PolarHBondContact O-N 3.06Å; L340-E343 PolarHBondContact O-N 3.07Å; L340-A344 PolarHBondContact O-N 3.21Å; L340-A344 VanDerWaalsContact O-N 3.09Å
341	H	97.8	Very high	97.3	Very high	115 Å²	115	64.8 Å²	64.8	53%	0.532	35%	0.35	S	S	.	.	H	α-helix	trans	-65.6	-45.6	175.9	-176	48.9	0	0	0	111.5	A337 E338 A339 E343 A344 E345	A337-H341 WeakPolarHBondContact O-CB 3.41Å; A337-H341 PolarHBondContact O-N 3.01Å; A337-H341 VanDerWaalsContact O-N 3.1Å; E338-H341 PolarHBondContact O-N 3.07Å; A339-H341 VanDerWaalsContact C-N 3.34Å; H341-E343 VanDerWaalsContact C-N 3.31Å; H341-E343 PolarHBondContact O-N 2.98Å; H341-A344 PolarHBondContact O-N 2.88Å; H341-E345 IonicContact CD2-OE1 3.35Å; H341-E345 IonicContact CE1-OE1 2.71Å; H341-E345 IonicContact NE2-OE1 3.11Å; H341-E345 PolarHBondContact NE2-OE1 2.95Å; H341-E345 WeakPolarHBondContact O-CG 3.23Å; H341-E345 PolarHBondContact O-N 3.08Å
342	Q	97.6	Very high	97.3	Very high	102 Å²	102	66.9 Å²	66.9	48%	0.477	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-38.3	176.3	-71.3	171.7	1.3	0	0	112.4	E338 A339 L346	E338-Q342 WeakPolarHBondContact O-CG 3.46Å; E338-Q342 PolarHBondContact O-N 3.22Å; E338-Q342 PolarHBondContact OE1-NE2 3.33Å; A339-Q342 PolarHBondContact O-N 2.79Å; Q342-L346 WeakPolarHBondContact O-CB 3.41Å; Q342-L346 PolarHBondContact O-N 3.02Å
343	E	97.5	Very high	97.3	Very high	25 Å²	25	69.3 Å²	69.3	12%	0.117	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-44.6	175.8	-172.3	71.4	-179.3	0	0	111.3	R295 V298 A339 L340 H341 L346 E347 K394	R295-E343 IonicContact CZ-OE1 3.1Å; R295-E343 IonicContact CZ-OE2 3.6Å; R295-E343 IonicContact NH1-OE1 2.79Å; R295-E343 PolarHBondContact NH1-OE1 3.48Å; R295-E343 IonicContact NH1-OE2 3.18Å; R295-E343 IonicContact NH2-OE1 2.69Å; R295-E343 IonicContact NH2-OE2 2.82Å; R295-E343 PolarHBondContact NH2-OE2 3.16Å; V298-E343 HydrophobicContact CG1-CB 4.2Å; A339-E343 WeakPolarHBondContact O-CB 3.26Å; A339-E343 PolarHBondContact O-N 3.17Å; L340-E343 PolarHBondContact O-N 3.07Å; H341-E343 VanDerWaalsContact C-N 3.31Å; H341-E343 PolarHBondContact O-N 2.98Å; E343-L346 PolarHBondContact O-N 3.21Å; E343-E347 WeakPolarHBondContact O-CG 3.46Å; E343-E347 PolarHBondContact O-N 2.98Å; E343-K394 IonicContact OE1-NZ 3.89Å; E343-K394 PolarHBondContact OE1-NZ 3.28Å
344	A	97.1	Very high	97.3	Very high	45 Å²	45	68.4 Å²	68.4	37%	0.372	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-44.8	177.1	0	0	0	0	0	112	L340 H341 L346 E347 D348	L340-A344 PolarHBondContact O-N 3.21Å; L340-A344 VanDerWaalsContact O-N 3.09Å; H341-A344 PolarHBondContact O-N 2.88Å; A344-L346 VanDerWaalsContact C-N 3.29Å; A344-L346 PolarHBondContact O-N 3.11Å; A344-E347 PolarHBondContact O-N 3.14Å; A344-D348 PolarHBondContact O-N 3.42Å
345	E	98.1	Very high	97.3	Very high	108 Å²	108	63 Å²	63	51%	0.505	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-38.5	175.7	-72	-175.2	150.1	0	0	112.2	H341 L349	H341-E345 IonicContact CD2-OE1 3.35Å; H341-E345 IonicContact CE1-OE1 2.71Å; H341-E345 IonicContact NE2-OE1 3.11Å; H341-E345 PolarHBondContact NE2-OE1 2.95Å; H341-E345 WeakPolarHBondContact O-CG 3.23Å; H341-E345 PolarHBondContact O-N 3.08Å; E345-L349 WeakPolarHBondContact O-CB 3.28Å; E345-L349 PolarHBondContact O-N 3.02Å
346	L	97.8	Very high	97.3	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-42.5	175.3	175.3	66.3	0	0	0	111.6	Q342 E343 A344 L349 L350 I382 P383 G384 L385 K394	Q342-L346 WeakPolarHBondContact O-CB 3.41Å; Q342-L346 PolarHBondContact O-N 3.02Å; E343-L346 PolarHBondContact O-N 3.21Å; A344-L346 VanDerWaalsContact C-N 3.29Å; A344-L346 PolarHBondContact O-N 3.11Å; L346-L349 PolarHBondContact O-N 3.5Å; L346-L350 HydrophobicContact CD1-CD1 4.26Å; L346-L350 HydrophobicContact CD1-CG 4.26Å; L346-L350 HydrophobicContact CG-CD1 4.05Å; L346-L350 HydrophobicContact CG-CG 4.46Å; L346-L350 WeakPolarHBondContact O-CB 3.24Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 3.03Å; L346-I382 HydrophobicContact CD1-CG2 3.82Å; L346-P383 WeakPolarHBondContact CD1-O 3.28Å; L346-G384 WeakPolarHBondContact CD2-O 3.44Å; L346-L385 HydrophobicContact CD1-CD2 4.2Å; L346-L385 HydrophobicContact CD2-CD2 4.43Å; L346-K394 HydrophobicContact CD2-CD 4.15Å; L346-K394 HydrophobicContact CD2-CG 4.18Å
347	E	97	Very high	97.1	Very high	79 Å²	79	61.6 Å²	61.6	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-44.1	178.6	-72.2	-173.1	164.6	0	0	111.9	E343 A344 L349 L350 E351 K394	E343-E347 WeakPolarHBondContact O-CG 3.46Å; E343-E347 PolarHBondContact O-N 2.98Å; A344-E347 PolarHBondContact O-N 3.14Å; E347-L349 VanDerWaalsContact C-N 3.32Å; E347-L349 PolarHBondContact O-N 3.4Å; E347-L350 PolarHBondContact O-N 3.02Å; E347-E351 PolarHBondContact O-N 2.97Å; E347-K394 IonicContact OE1-NZ 2.92Å; E347-K394 PolarHBondContact OE1-NZ 2.67Å
348	D	97.6	Very high	97	Very high	110 Å²	110	57.8 Å²	57.8	59%	0.588	30%	0.297	S	S	*	.	H	α-helix	trans	-59.8	-42.6	174	-72.5	-14.3	0	0	0	111.4	A344 E351 S352	A344-D348 PolarHBondContact O-N 3.42Å; D348-E351 PolarHBondContact O-N 2.92Å; D348-S352 WeakPolarHBondContact O-CB 3.46Å; D348-S352 PolarHBondContact O-N 3.38Å
349	L	97.8	Very high	96.8	Very high	61 Å²	61	54.9 Å²	54.9	32%	0.319	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-44.5	176.1	176.3	62.9	0	0	0	111.6	E345 L346 E347 S352 K353 I382 P383	E345-L349 WeakPolarHBondContact O-CB 3.28Å; E345-L349 PolarHBondContact O-N 3.02Å; L346-L349 PolarHBondContact O-N 3.5Å; E347-L349 VanDerWaalsContact C-N 3.32Å; E347-L349 PolarHBondContact O-N 3.4Å; L349-S352 PolarHBondContact O-N 2.89Å; L349-K353 HydrophobicContact CD1-CG 4.21Å; L349-K353 WeakPolarHBondContact O-CB 3.4Å; L349-K353 WeakPolarHBondContact O-CG 3.38Å; L349-K353 PolarHBondContact O-N 3.32Å; L349-I382 HydrophobicContact CD2-CG2 4.23Å; L349-P383 HydrophobicContact CD2-CG 4.3Å
350	L	97.3	Very high	96.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-43	178.8	-75.5	170.2	0	0	0	111.5	L346 E347 K353 V354 I382 I391 K394 I398	L346-L350 HydrophobicContact CD1-CD1 4.26Å; L346-L350 HydrophobicContact CD1-CG 4.26Å; L346-L350 HydrophobicContact CG-CD1 4.05Å; L346-L350 HydrophobicContact CG-CG 4.46Å; L346-L350 WeakPolarHBondContact O-CB 3.24Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.39Å; L346-L350 PolarHBondContact O-N 3.03Å; E347-L350 PolarHBondContact O-N 3.02Å; L350-K353 PolarHBondContact O-N 2.85Å; L350-V354 WeakPolarHBondContact O-CB 3.39Å; L350-V354 VanDerWaalsContact O-CG2 3.26Å; L350-V354 WeakPolarHBondContact O-CG2 3.23Å; L350-V354 PolarHBondContact O-N 3.23Å; L350-I382 HydrophobicContact CD2-CD1 3.86Å; L350-I382 HydrophobicContact CD2-CG2 4.15Å; L350-I391 HydrophobicContact CD2-CD1 3.72Å; L350-K394 HydrophobicContact CD1-CB 3.62Å; L350-K394 HydrophobicContact CD1-CG 3.89Å; L350-I398 HydrophobicContact CD2-CD1 4.37Å; L350-I398 HydrophobicContact CD2-CG1 4.26Å
351	E	96.9	Very high	96.3	Very high	90 Å²	90	58.8 Å²	58.8	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-48.1	175.8	-175.5	173	-171	0	0	111.1	E347 D348 K353 V354 A355 A401 H404	E347-E351 PolarHBondContact O-N 2.97Å; D348-E351 PolarHBondContact O-N 2.92Å; E351-K353 VanDerWaalsContact C-N 3.33Å; E351-K353 PolarHBondContact O-N 2.79Å; E351-V354 PolarHBondContact O-N 2.83Å; E351-A355 PolarHBondContact O-N 2.89Å; E351-A401 HydrophobicContact CB-CB 4.29Å; E351-A401 HydrophobicContact CG-CB 4.14Å; E351-H404 IonicContact OE1-CD2 2.69Å
352	S	97	Very high	95.9	Very high	73 Å²	73	54.9 Å²	54.9	51%	0.51	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-40.2	176.3	-179.9	0	0	0	0	112.5	D348 L349 A355 E356	D348-S352 WeakPolarHBondContact O-CB 3.46Å; D348-S352 PolarHBondContact O-N 3.38Å; L349-S352 PolarHBondContact O-N 2.89Å; S352-A355 PolarHBondContact O-N 2.93Å; S352-E356 PolarHBondContact O-N 3.22Å
353	K	97.1	Very high	95.5	Very high	60 Å²	60	54.3 Å²	54.3	26%	0.261	30%	0.3	S	S	.	.	H	α-helix	trans	-69.1	-38.4	177.7	-76.4	-52.8	-169.2	-169.1	0	112.9	L349 L350 E351 A355 E356 I357 L377	L349-K353 HydrophobicContact CD1-CG 4.21Å; L349-K353 WeakPolarHBondContact O-CB 3.4Å; L349-K353 WeakPolarHBondContact O-CG 3.38Å; L349-K353 PolarHBondContact O-N 3.32Å; L350-K353 PolarHBondContact O-N 2.85Å; E351-K353 VanDerWaalsContact C-N 3.33Å; E351-K353 PolarHBondContact O-N 2.79Å; K353-A355 VanDerWaalsContact C-N 3.33Å; K353-E356 VanDerWaalsContact CD-OE2 3.25Å; K353-E356 WeakPolarHBondContact CD-OE2 3.33Å; K353-E356 IonicContact NZ-OE1 2.65Å; K353-E356 IonicContact NZ-OE2 2.67Å; K353-E356 PolarHBondContact NZ-OE2 2.74Å; K353-E356 PolarHBondContact O-N 3.3Å; K353-I357 WeakPolarHBondContact O-CB 3.3Å; K353-I357 WeakPolarHBondContact O-CD1 3.47Å; K353-I357 VanDerWaalsContact O-CG1 3.23Å; K353-I357 WeakPolarHBondContact O-CG1 3.34Å; K353-I357 PolarHBondContact O-N 3.12Å; K353-L377 HydrophobicContact CB-CD2 4.08Å
354	V	96.4	Very high	94.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-44.3	174.1	168.7	0	0	0	0	110.5	L350 E351 Y358 V373 L377 I398 A401	L350-V354 WeakPolarHBondContact O-CB 3.39Å; L350-V354 VanDerWaalsContact O-CG2 3.26Å; L350-V354 WeakPolarHBondContact O-CG2 3.23Å; L350-V354 PolarHBondContact O-N 3.23Å; E351-V354 PolarHBondContact O-N 2.83Å; V354-Y358 VanDerWaalsContact O-CB 3.23Å; V354-Y358 WeakPolarHBondContact O-CB 3.26Å; V354-Y358 PolarHBondContact O-N 2.66Å; V354-V373 HydrophobicContact CG1-CG1 4.29Å; V354-V373 HydrophobicContact CG2-CG1 4.44Å; V354-L377 HydrophobicContact CG2-CD1 3.84Å; V354-I398 HydrophobicContact CG2-CB 4.47Å; V354-I398 HydrophobicContact CG2-CG2 3.86Å; V354-A401 HydrophobicContact CB-CB 3.99Å; V354-A401 HydrophobicContact CG1-CB 3.95Å; V354-A401 HydrophobicContact CG2-CB 4.13Å
355	A	95.9	Very high	93.7	Very high	23 Å²	23	58.9 Å²	58.9	19%	0.19	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-49.1	177	0	0	0	0	0	112.3	E351 S352 K353 I357 Y358 D359 Q405	E351-A355 PolarHBondContact O-N 2.89Å; S352-A355 PolarHBondContact O-N 2.93Å; K353-A355 VanDerWaalsContact C-N 3.33Å; A355-I357 PolarHBondContact O-N 2.85Å; A355-Y358 PolarHBondContact O-N 3.09Å; A355-D359 VanDerWaalsContact O-CG 3.24Å; A355-D359 PolarHBondContact O-N 3.31Å; A355-Q405 HydrophobicContact CB-CG 4.39Å
356	E	95.6	Very high	92.9	Very high	84 Å²	84	61.2 Å²	61.2	39%	0.393	36%	0.355	S	S	.	.	H	α-helix	trans	-55.3	-51.2	177	-178	-178.2	-168.5	0	0	111.6	S352 K353 Y358 D359 E360	S352-E356 PolarHBondContact O-N 3.22Å; K353-E356 VanDerWaalsContact CD-OE2 3.25Å; K353-E356 WeakPolarHBondContact CD-OE2 3.33Å; K353-E356 IonicContact NZ-OE1 2.65Å; K353-E356 IonicContact NZ-OE2 2.67Å; K353-E356 PolarHBondContact NZ-OE2 2.74Å; K353-E356 PolarHBondContact O-N 3.3Å; E356-Y358 VanDerWaalsContact C-N 3.35Å; E356-Y358 PolarHBondContact O-N 3.41Å; E356-D359 PolarHBondContact O-N 3.18Å; E356-E360 WeakPolarHBondContact O-CG 3.28Å; E356-E360 PolarHBondContact O-N 3.49Å
357	I	94.6	Very high	92.4	Very high	7 Å²	7	66.1 Å²	66.1	4%	0.036	38%	0.377	C	S	.	.	H	α-helix	trans	-64.5	-40.5	-179.1	-68.9	166.9	0	0	0	111.3	K353 A355 D359 E360 L361 V373 V376 L377	K353-I357 WeakPolarHBondContact O-CB 3.3Å; K353-I357 WeakPolarHBondContact O-CD1 3.47Å; K353-I357 VanDerWaalsContact O-CG1 3.23Å; K353-I357 WeakPolarHBondContact O-CG1 3.34Å; K353-I357 PolarHBondContact O-N 3.12Å; A355-I357 PolarHBondContact O-N 2.85Å; I357-D359 VanDerWaalsContact C-N 3.35Å; I357-E360 PolarHBondContact O-N 3.02Å; I357-L361 HydrophobicContact CG2-CD1 3.8Å; I357-L361 HydrophobicContact CG2-CG 4.34Å; I357-L361 WeakPolarHBondContact O-CB 3.25Å; I357-L361 VanDerWaalsContact O-CG 3.26Å; I357-L361 WeakPolarHBondContact O-CG 3.26Å; I357-L361 PolarHBondContact O-N 2.87Å; I357-V373 HydrophobicContact CG2-CB 4.31Å; I357-V373 HydrophobicContact CG2-CG1 4.05Å; I357-V373 HydrophobicContact CG2-CG2 4.29Å; I357-V376 HydrophobicContact CD1-CB 4.19Å; I357-V376 HydrophobicContact CD1-CG1 3.73Å; I357-V376 HydrophobicContact CG1-CB 4.5Å; I357-V376 HydrophobicContact CG1-CG1 3.84Å; I357-V376 HydrophobicContact CG2-CB 3.85Å; I357-V376 HydrophobicContact CG2-CG1 3.98Å; I357-V376 HydrophobicContact CG2-CG2 4.21Å; I357-L377 HydrophobicContact CD1-CD2 3.46Å; I357-L377 VanDerWaalsContact CD1-CD2 3.46Å; I357-L377 HydrophobicContact CD1-CG 3.6Å
358	Y	94.5	Very high	92.1	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.016	36%	0.362	C	S	.	.	H	α-helix	trans	-62.3	-44.1	178.1	-172.1	-80.3	0	0	0	111.1	V354 A355 E356 L361 S362 P368 V373 Y402 Q405 R406 H409	V354-Y358 VanDerWaalsContact O-CB 3.23Å; V354-Y358 WeakPolarHBondContact O-CB 3.26Å; V354-Y358 PolarHBondContact O-N 2.66Å; A355-Y358 PolarHBondContact O-N 3.09Å; E356-Y358 VanDerWaalsContact C-N 3.35Å; E356-Y358 PolarHBondContact O-N 3.41Å; Y358-L361 PolarHBondContact O-N 2.95Å; Y358-S362 WeakPolarHBondContact CD1-OG 3.3Å; Y358-S362 WeakPolarHBondContact CE1-OG 3.28Å; Y358-S362 VanDerWaalsContact O-CB 3.29Å; Y358-S362 WeakPolarHBondContact O-CB 3.24Å; Y358-S362 PolarHBondContact O-N 2.96Å; Y358-S362 PolarHBondContact O-OG 2.96Å; Y358-P368 HydrophobicContact CD2-CB 4.23Å; Y358-P368 HydrophobicContact CD2-CG 4.21Å; Y358-P368 HydrophobicContact CE1-CG 4.5Å; Y358-P368 HydrophobicContact CE2-CB 4.28Å; Y358-P368 HydrophobicContact CE2-CG 4.21Å; Y358-P368 HydrophobicContact CG-CG 4.35Å; Y358-P368 WeakPolarHBondContact O-CG 3.38Å; Y358-V373 HydrophobicContact CD2-CG2 4.45Å; Y358-Y402 AromaticContact CD2-CD2 3.95Å; Y358-Y402 HydrophobicContact CD2-CD2 3.95Å; Y358-Y402 AromaticContact CD2-CE2 3.82Å; Y358-Y402 HydrophobicContact CD2-CE2 3.82Å; Y358-Y402 HydrophobicContact CE2-CD2 4.25Å; Y358-Y402 AromaticContact CE2-CE2 3.75Å; Y358-Y402 HydrophobicContact CE2-CE2 3.75Å; Y358-Q405 HydrophobicContact CD1-CG 3.68Å; Y358-Q405 HydrophobicContact CD2-CG 4.38Å; Y358-Q405 HydrophobicContact CE1-CG 4.4Å; Y358-Q405 HydrophobicContact CG-CB 4.42Å; Y358-Q405 HydrophobicContact CG-CG 3.68Å; Y358-R406 HydrophobicContact CE2-CB 4.12Å; Y358-R406 HydrophobicContact CE2-CG 4.43Å; Y358-H409 HydrophobicContact CE1-CB 4.2Å; Y358-H409 AromaticContact CE1-CG 3.77Å; Y358-H409 AromaticContact CE1-ND1 3.81Å
359	D	93.8	Very high	91.8	Very high	73 Å²	73	61 Å²	61	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-68	-41.1	-179.3	-66.6	-1.4	0	0	0	111.2	A355 E356 I357 S362 A363 Q405 H409	A355-D359 VanDerWaalsContact O-CG 3.24Å; A355-D359 PolarHBondContact O-N 3.31Å; E356-D359 PolarHBondContact O-N 3.18Å; I357-D359 VanDerWaalsContact C-N 3.35Å; D359-S362 PolarHBondContact O-N 2.68Å; D359-A363 PolarHBondContact O-N 3.45Å; D359-A363 VanDerWaalsContact O-N 3.09Å; D359-Q405 PolarHBondContact OD1-NE2 3.15Å; D359-H409 IonicContact OD1-CE1 3.26Å; D359-H409 PolarHBondContact OD1-CE1 3.17Å; D359-H409 IonicContact OD1-NE2 3.44Å; D359-H409 PolarHBondContact OD1-NE2 3.48Å
360	E	92.9	Very high	91.4	Very high	121 Å²	121	58.2 Å²	58.2	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-60.8	-45.9	174.9	-76.2	-176.8	171.5	0	0	112.4	E356 I357 S362 A363	E356-E360 WeakPolarHBondContact O-CG 3.28Å; E356-E360 PolarHBondContact O-N 3.49Å; I357-E360 PolarHBondContact O-N 3.02Å; E360-S362 VanDerWaalsContact C-N 3.35Å; E360-A363 WeakPolarHBondContact O-CB 3.3Å; E360-A363 PolarHBondContact O-N 3.39Å
361	L	91.2	Very high	90.9	Very high	48 Å²	48	59.8 Å²	59.8	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-68.1	-37.3	177.7	-69.4	173.6	0	0	0	111.2	I357 Y358 A363 S364 P368 V373	I357-L361 HydrophobicContact CG2-CD1 3.8Å; I357-L361 HydrophobicContact CG2-CG 4.34Å; I357-L361 WeakPolarHBondContact O-CB 3.25Å; I357-L361 VanDerWaalsContact O-CG 3.26Å; I357-L361 WeakPolarHBondContact O-CG 3.26Å; I357-L361 PolarHBondContact O-N 2.87Å; Y358-L361 PolarHBondContact O-N 2.95Å; L361-A363 PolarHBondContact O-N 3.03Å; L361-S364 WeakPolarHBondContact O-CB 3.47Å; L361-S364 PolarHBondContact O-N 3.3Å; L361-S364 VanDerWaalsContact O-N 3.14Å; L361-S364 PolarHBondContact O-OG 3.34Å; L361-P368 HydrophobicContact CB-CB 3.71Å; L361-P368 HydrophobicContact CB-CG 3.43Å; L361-P368 VanDerWaalsContact CB-CG 3.43Å; L361-P368 HydrophobicContact CD1-CB 4Å; L361-V373 HydrophobicContact CD1-CG2 4.18Å
362	S	90.4	Very high	90.6	Very high	33 Å²	33	57.7 Å²	57.7	23%	0.231	34%	0.342	C	S	.	.	H	α-helix	trans	-63.4	-29.1	177.2	-63.7	0	0	0	0	112.5	Y358 D359 E360 S364 G365 P368	Y358-S362 WeakPolarHBondContact CD1-OG 3.3Å; Y358-S362 WeakPolarHBondContact CE1-OG 3.28Å; Y358-S362 VanDerWaalsContact O-CB 3.29Å; Y358-S362 WeakPolarHBondContact O-CB 3.24Å; Y358-S362 PolarHBondContact O-N 2.96Å; Y358-S362 PolarHBondContact O-OG 2.96Å; D359-S362 PolarHBondContact O-N 2.68Å; E360-S362 VanDerWaalsContact C-N 3.35Å; S362-S364 PolarHBondContact O-N 2.84Å; S362-S364 VanDerWaalsContact O-N 3.14Å; S362-G365 PolarHBondContact O-N 2.97Å; S362-P368 WeakPolarHBondContact OG-CD 3.4Å; S362-P368 WeakPolarHBondContact OG-CG 3.39Å
363	A	89.2	Confident	90.4	Very high	89 Å²	89	54.2 Å²	54.2	74%	0.736	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.6	176.5	0	0	0	0	0	113.5	D359 E360 L361 G365	D359-A363 PolarHBondContact O-N 3.45Å; D359-A363 VanDerWaalsContact O-N 3.09Å; E360-A363 WeakPolarHBondContact O-CB 3.3Å; E360-A363 PolarHBondContact O-N 3.39Å; L361-A363 PolarHBondContact O-N 3.03Å; A363-G365 PolarHBondContact O-N 2.99Å
364	S	80.3	Confident	90.2	Very high	96 Å²	96	52.4 Å²	52.4	67%	0.671	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-8.6	174.5	73.3	0	0	0	0	114.1	L361 S362	L361-S364 WeakPolarHBondContact O-CB 3.47Å; L361-S364 PolarHBondContact O-N 3.3Å; L361-S364 VanDerWaalsContact O-N 3.14Å; L361-S364 PolarHBondContact O-OG 3.34Å; S362-S364 PolarHBondContact O-N 2.84Å; S362-S364 VanDerWaalsContact O-N 3.14Å
365	G	76.8	Confident	89.9	Confident	71 Å²	71	56.6 Å²	56.6	73%	0.732	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	-1.5	176.2	0	0	0	0	0	115.2	S362 A363	S362-G365 PolarHBondContact O-N 2.97Å; A363-G365 PolarHBondContact O-N 2.99Å
366	E	81.1	Confident	89.8	Confident	156 Å²	156	57.7 Å²	57.7	73%	0.729	34%	0.341	S	S	*	.	S	Bend	trans	-112.9	145	173.2	-65.4	-173.2	174.3	0	0	110.7	P368	E366-P368 WeakPolarHBondContact O-CD 3.5Å
367	E	86.8	Confident	89.7	Confident	110 Å²	110	53.9 Å²	53.9	51%	0.514	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-67.4	119.1	174.4	-171.6	-178.9	170.8	0	0	109.1	D369 R406	E367-D369 PolarHBondContact O-N 3.18Å; E367-R406 VanDerWaalsContact OE1-CD 3.25Å; E367-R406 WeakPolarHBondContact OE1-CD 3.44Å; E367-R406 VanDerWaalsContact OE1-CG 3.24Å; E367-R406 WeakPolarHBondContact OE1-CG 3.41Å
368	P	90.3	Very high	89.4	Confident	8 Å²	8	57 Å²	57	5%	0.052	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.8	131.7	-178.3	-18.5	30.4	0	0	0	110.4	Y358 L361 S362 E366 V373 Y402	Y358-P368 HydrophobicContact CD2-CB 4.23Å; Y358-P368 HydrophobicContact CD2-CG 4.21Å; Y358-P368 HydrophobicContact CE1-CG 4.5Å; Y358-P368 HydrophobicContact CE2-CB 4.28Å; Y358-P368 HydrophobicContact CE2-CG 4.21Å; Y358-P368 HydrophobicContact CG-CG 4.35Å; Y358-P368 WeakPolarHBondContact O-CG 3.38Å; L361-P368 HydrophobicContact CB-CB 3.71Å; L361-P368 HydrophobicContact CB-CG 3.43Å; L361-P368 VanDerWaalsContact CB-CG 3.43Å; L361-P368 HydrophobicContact CD1-CB 4Å; S362-P368 WeakPolarHBondContact OG-CD 3.4Å; S362-P368 WeakPolarHBondContact OG-CG 3.39Å; E366-P368 WeakPolarHBondContact O-CD 3.5Å; P368-V373 HydrophobicContact CB-CG2 4.42Å; P368-Y402 PolarHBondContact O-OH 3.31Å
369	D	91	Very high	89.1	Confident	73 Å²	73	61.5 Å²	61.5	39%	0.39	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-81.4	157.8	166.8	71.8	18.4	0	0	0	111.3	E367 L371 S372 V373 Y402	E367-D369 PolarHBondContact O-N 3.18Å; D369-L371 PolarHBondContact O-N 2.78Å; D369-L371 VanDerWaalsContact O-N 3.07Å; D369-L371 WeakPolarHBondContact OD1-CB 3.21Å; D369-L371 PolarHBondContact OD1-N 3.09Å; D369-S372 WeakPolarHBondContact O-CB 3.46Å; D369-S372 PolarHBondContact O-N 3.05Å; D369-S372 VanDerWaalsContact O-N 3.13Å; D369-S372 WeakPolarHBondContact OD1-CB 2.93Å; D369-S372 PolarHBondContact OD1-N 3.16Å; D369-S372 PolarHBondContact OD1-OG 3.32Å; D369-V373 PolarHBondContact O-N 3.48Å; D369-Y402 WeakPolarHBondContact CA-OH 3.47Å
370	L	89.3	Confident	89.1	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-57.8	-25.5	178.8	167.9	70.2	0	0	0	111.9	Q7 L374 I399 Y402	Q7-L370 VanDerWaalsContact NE2-C 3.31Å; Q7-L370 VanDerWaalsContact OE1-CB 3.31Å; L370-L374 HydrophobicContact CD1-CD1 4.1Å; L370-L374 HydrophobicContact CD1-CG 4.04Å; L370-L374 HydrophobicContact CG-CD1 3.92Å; L370-L374 HydrophobicContact CG-CG 4.31Å; L370-L374 WeakPolarHBondContact O-CB 3.41Å; L370-L374 VanDerWaalsContact O-CG 3.24Å; L370-L374 WeakPolarHBondContact O-CG 3.07Å; L370-L374 PolarHBondContact O-N 2.6Å; L370-I399 HydrophobicContact CD1-CG1 4.23Å; L370-I399 HydrophobicContact CD2-CG1 3.93Å; L370-Y402 HydrophobicContact CB-CD1 3.92Å; L370-Y402 HydrophobicContact CB-CD2 4.19Å; L370-Y402 HydrophobicContact CB-CE1 3.76Å; L370-Y402 HydrophobicContact CB-CE2 3.99Å; L370-Y402 HydrophobicContact CB-CG 4.14Å; L370-Y402 HydrophobicContact CD1-CD1 4.02Å; L370-Y402 HydrophobicContact CD1-CD2 4.16Å; L370-Y402 HydrophobicContact CD1-CG 3.72Å; L370-Y402 HydrophobicContact CG-CD1 4.45Å; L370-Y402 VanDerWaalsContact N-CZ 3.34Å; L370-Y402 PolarHBondContact N-OH 3.28Å
371	L	88.4	Confident	89.1	Confident	34 Å²	34	61 Å²	61	18%	0.178	39%	0.389	C	S	.	.	H	α-helix	trans	-70.6	-41.9	-179	-175.4	60.4	0	0	0	110.7	Q7 E11 D369 V373 L374 T375	Q7-L371 HydrophobicContact CG-CB 4.15Å; E11-L371 HydrophobicContact CG-CD1 4.01Å; E11-L371 WeakPolarHBondContact OE1-CD1 3.42Å; D369-L371 PolarHBondContact O-N 2.78Å; D369-L371 VanDerWaalsContact O-N 3.07Å; D369-L371 WeakPolarHBondContact OD1-CB 3.21Å; D369-L371 PolarHBondContact OD1-N 3.09Å; L371-V373 VanDerWaalsContact C-N 3.35Å; L371-L374 PolarHBondContact O-N 3.34Å; L371-T375 WeakPolarHBondContact O-CB 3.35Å; L371-T375 PolarHBondContact O-N 3.22Å; L371-T375 PolarHBondContact O-OG1 3.21Å
372	S	90.6	Very high	89.3	Confident	45 Å²	45	59.4 Å²	59.4	32%	0.315	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-46.5	176.3	-55.7	0	0	0	0	110.1	D369 L374 T375 V376	D369-S372 WeakPolarHBondContact O-CB 3.46Å; D369-S372 PolarHBondContact O-N 3.05Å; D369-S372 VanDerWaalsContact O-N 3.13Å; D369-S372 WeakPolarHBondContact OD1-CB 2.93Å; D369-S372 PolarHBondContact OD1-N 3.16Å; D369-S372 PolarHBondContact OD1-OG 3.32Å; S372-L374 PolarHBondContact O-N 2.98Å; S372-T375 PolarHBondContact O-N 3.43Å; S372-V376 WeakPolarHBondContact O-CG2 3.41Å; S372-V376 PolarHBondContact O-N 2.65Å; S372-V376 VanDerWaalsContact O-N 3.1Å
373	V	93	Very high	89.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-60	-48.5	175.6	-179.5	0	0	0	0	111.9	V354 I357 Y358 L361 P368 D369 L371 T375 V376 L377 Y402	V354-V373 HydrophobicContact CG1-CG1 4.29Å; V354-V373 HydrophobicContact CG2-CG1 4.44Å; I357-V373 HydrophobicContact CG2-CB 4.31Å; I357-V373 HydrophobicContact CG2-CG1 4.05Å; I357-V373 HydrophobicContact CG2-CG2 4.29Å; Y358-V373 HydrophobicContact CD2-CG2 4.45Å; L361-V373 HydrophobicContact CD1-CG2 4.18Å; P368-V373 HydrophobicContact CB-CG2 4.42Å; D369-V373 PolarHBondContact O-N 3.48Å; L371-V373 VanDerWaalsContact C-N 3.35Å; V373-T375 VanDerWaalsContact C-N 3.3Å; V373-T375 PolarHBondContact O-N 2.71Å; V373-V376 PolarHBondContact O-N 2.75Å; V373-L377 HydrophobicContact CG1-CD1 3.97Å; V373-L377 HydrophobicContact CG1-CG 4.48Å; V373-L377 WeakPolarHBondContact O-CG 3.12Å; V373-L377 PolarHBondContact O-N 3.06Å; V373-Y402 HydrophobicContact CB-CD2 4.31Å; V373-Y402 HydrophobicContact CG2-CD2 3.78Å; V373-Y402 HydrophobicContact CG2-CE2 3.94Å
374	L	91.8	Very high	89.8	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.12	40%	0.397	C	S	.	.	H	α-helix	trans	-62.1	-36.2	177.9	-73.4	171.5	0	0	0	112.8	L370 L371 S372 L377 A378 R395 I398	L370-L374 HydrophobicContact CD1-CD1 4.1Å; L370-L374 HydrophobicContact CD1-CG 4.04Å; L370-L374 HydrophobicContact CG-CD1 3.92Å; L370-L374 HydrophobicContact CG-CG 4.31Å; L370-L374 WeakPolarHBondContact O-CB 3.41Å; L370-L374 VanDerWaalsContact O-CG 3.24Å; L370-L374 WeakPolarHBondContact O-CG 3.07Å; L370-L374 PolarHBondContact O-N 2.6Å; L371-L374 PolarHBondContact O-N 3.34Å; S372-L374 PolarHBondContact O-N 2.98Å; L374-L377 PolarHBondContact O-N 2.9Å; L374-A378 WeakPolarHBondContact O-CB 3.33Å; L374-A378 PolarHBondContact O-N 2.8Å; L374-R395 HydrophobicContact CD2-CG 4.32Å; L374-I398 HydrophobicContact CD2-CG2 3.67Å
375	T	91	Very high	90.6	Very high	87 Å²	87	58.9 Å²	58.9	53%	0.534	38%	0.377	S	S	.	.	H	α-helix	trans	-64.5	-44.5	178	-57.6	0	0	0	0	110.5	L371 S372 V373 A378	L371-T375 WeakPolarHBondContact O-CB 3.35Å; L371-T375 PolarHBondContact O-N 3.22Å; L371-T375 PolarHBondContact O-OG1 3.21Å; S372-T375 PolarHBondContact O-N 3.43Å; V373-T375 VanDerWaalsContact C-N 3.3Å; V373-T375 PolarHBondContact O-N 2.71Å; T375-A378 PolarHBondContact O-N 3.25Å
376	V	93.2	Very high	91.6	Very high	47 Å²	47	55.7 Å²	55.7	29%	0.285	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-45.8	177.3	179.2	0	0	0	0	110.6	I357 S372 V373 A378 S379 T380	I357-V376 HydrophobicContact CD1-CB 4.19Å; I357-V376 HydrophobicContact CD1-CG1 3.73Å; I357-V376 HydrophobicContact CG1-CB 4.5Å; I357-V376 HydrophobicContact CG1-CG1 3.84Å; I357-V376 HydrophobicContact CG2-CB 3.85Å; I357-V376 HydrophobicContact CG2-CG1 3.98Å; I357-V376 HydrophobicContact CG2-CG2 4.21Å; S372-V376 WeakPolarHBondContact O-CG2 3.41Å; S372-V376 PolarHBondContact O-N 2.65Å; S372-V376 VanDerWaalsContact O-N 3.1Å; V373-V376 PolarHBondContact O-N 2.75Å; V376-A378 VanDerWaalsContact C-N 3.3Å; V376-A378 PolarHBondContact O-N 3.48Å; V376-S379 PolarHBondContact O-N 3.38Å; V376-S379 PolarHBondContact O-OG 3.23Å; V376-T380 PolarHBondContact O-N 3.09Å; V376-T380 PolarHBondContact O-OG1 3.41Å
377	L	93.1	Very high	92.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-39.9	176.7	-77	170.6	0	0	0	112.7	K353 V354 I357 V373 L374 S379 T380 I382 I398	K353-L377 HydrophobicContact CB-CD2 4.08Å; V354-L377 HydrophobicContact CG2-CD1 3.84Å; I357-L377 HydrophobicContact CD1-CD2 3.46Å; I357-L377 VanDerWaalsContact CD1-CD2 3.46Å; I357-L377 HydrophobicContact CD1-CG 3.6Å; V373-L377 HydrophobicContact CG1-CD1 3.97Å; V373-L377 HydrophobicContact CG1-CG 4.48Å; V373-L377 WeakPolarHBondContact O-CG 3.12Å; V373-L377 PolarHBondContact O-N 3.06Å; L374-L377 PolarHBondContact O-N 2.9Å; L377-S379 PolarHBondContact O-N 2.74Å; L377-T380 WeakPolarHBondContact O-CB 3.34Å; L377-T380 PolarHBondContact O-N 3.21Å; L377-I382 HydrophobicContact CD2-CD1 3.96Å; L377-I398 HydrophobicContact CD1-CD1 4.18Å; L377-I398 HydrophobicContact CD1-CG1 4.26Å; L377-I398 HydrophobicContact CD1-CG2 3.5Å
378	A	88.8	Confident	92.8	Very high	73 Å²	73	47 Å²	47	60%	0.603	31%	0.313	S	S	*	.	H	α-helix	trans	-62.6	-23.8	178	0	0	0	0	0	113.3	L374 T375 V376	L374-A378 WeakPolarHBondContact O-CB 3.33Å; L374-A378 PolarHBondContact O-N 2.8Å; T375-A378 PolarHBondContact O-N 3.25Å; V376-A378 VanDerWaalsContact C-N 3.3Å; V376-A378 PolarHBondContact O-N 3.48Å
379	S	89	Confident	93.1	Very high	98 Å²	98	46.6 Å²	46.6	69%	0.685	31%	0.311	S	S	*	.	H	α-helix	trans	-94.9	-4.1	174.3	66.8	0	0	0	0	114.1	V376 L377	V376-S379 PolarHBondContact O-N 3.38Å; V376-S379 PolarHBondContact O-OG 3.23Å; L377-S379 PolarHBondContact O-N 2.74Å
380	T	92.1	Very high	93.3	Very high	46 Å²	46	44.2 Å²	44.2	28%	0.282	30%	0.303	S	S	.	.	S	Bend	trans	-92.2	135.6	-177.9	-57.6	0	0	0	0	110.2	V376 L377 I382	V376-T380 PolarHBondContact O-N 3.09Å; V376-T380 PolarHBondContact O-OG1 3.41Å; L377-T380 WeakPolarHBondContact O-CB 3.34Å; L377-T380 PolarHBondContact O-N 3.21Å; T380-I382 HydrophobicContact CG2-CG1 4.16Å; T380-I382 PolarHBondContact O-N 3.14Å
381	V	93.2	Very high	93.6	Very high	138 Å²	138	45.5 Å²	45.5	84%	0.836	31%	0.31	S	S	*	.			trans	-77.4	111.7	174.1	-179.6	0	0	0	0	108.9
382	I	95.1	Very high	93.9	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.077	32%	0.318	C	S	.	.			trans	-115.4	109.4	178.6	-61.2	163.1	0	0	0	107.7	L346 L349 L350 L377 T380 L385 I391	L346-I382 HydrophobicContact CD1-CG2 3.82Å; L349-I382 HydrophobicContact CD2-CG2 4.23Å; L350-I382 HydrophobicContact CD2-CD1 3.86Å; L350-I382 HydrophobicContact CD2-CG2 4.15Å; L377-I382 HydrophobicContact CD2-CD1 3.96Å; T380-I382 HydrophobicContact CG2-CG1 4.16Å; T380-I382 PolarHBondContact O-N 3.14Å; I382-L385 HydrophobicContact CB-CD1 4.16Å; I382-L385 HydrophobicContact CB-CG 4.25Å; I382-L385 HydrophobicContact CG2-CD2 4.05Å; I382-L385 HydrophobicContact CG2-CG 4.08Å; I382-L385 WeakPolarHBondContact O-CG 3.42Å; I382-I391 HydrophobicContact CD1-CD1 3.57Å
383	P	95.1	Very high	94.1	Very high	91 Å²	91	46 Å²	46	59%	0.591	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	158.5	177.3	31.4	-35	0	0	0	111	L346 L349 L385	L346-P383 WeakPolarHBondContact CD1-O 3.28Å; L349-P383 HydrophobicContact CD2-CG 4.3Å; P383-L385 VanDerWaalsContact C-N 3.31Å; P383-L385 PolarHBondContact O-N 2.86Å
384	G	95.1	Very high	94.3	Very high	68 Å²	68	46.5 Å²	46.5	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	3.9	172.8	0	0	0	0	0	115.7	L346	L346-G384 WeakPolarHBondContact CD2-O 3.44Å
385	L	97.6	Very high	94.4	Very high	48 Å²	48	46.2 Å²	46.2	25%	0.251	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57.2	144.7	176.8	-70.6	172	0	0	0	112.3	L346 I382 P383 I391 K394	L346-L385 HydrophobicContact CD1-CD2 4.2Å; L346-L385 HydrophobicContact CD2-CD2 4.43Å; I382-L385 HydrophobicContact CB-CD1 4.16Å; I382-L385 HydrophobicContact CB-CG 4.25Å; I382-L385 HydrophobicContact CG2-CD2 4.05Å; I382-L385 HydrophobicContact CG2-CG 4.08Å; I382-L385 WeakPolarHBondContact O-CG 3.42Å; P383-L385 VanDerWaalsContact C-N 3.31Å; P383-L385 PolarHBondContact O-N 2.86Å; L385-I391 HydrophobicContact CD1-CB 4.15Å; L385-I391 HydrophobicContact CD1-CD1 4.44Å; L385-I391 HydrophobicContact CD2-CB 4.49Å; L385-I391 HydrophobicContact CD2-CD1 3.81Å; L385-K394 HydrophobicContact CD2-CG 4.26Å
386	P	97.6	Very high	94.3	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.026	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-56.2	129.6	178.9	-27.4	36.5	0	0	0	111.6	F291 G389 G390 S393 K394	F291-P386 HydrophobicContact CD2-CB 3.88Å; F291-P386 HydrophobicContact CE2-CB 3.82Å; P386-G389 PolarHBondContact O-N 3.33Å; P386-G390 PolarHBondContact O-N 3.32Å; P386-S393 WeakPolarHBondContact CG-OG 3.21Å; P386-K394 HydrophobicContact CG-CD 4.03Å; P386-K394 HydrophobicContact CG-CG 4.32Å
387	P	97.8	Very high	94.3	Very high	60 Å²	60	44.9 Å²	44.9	39%	0.39	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	139.4	-178.5	28.1	-35.5	0	0	0	110.5	A290 F291 N294 G389	A290-P387 HydrophobicContact CB-CB 3.96Å; A290-P387 HydrophobicContact CB-CG 4.18Å; F291-P387 WeakPolarHBondContact CA-O 3.17Å; F291-P387 WeakPolarHBondContact CB-O 3.4Å; F291-P387 PolarHBondContact N-O 2.85Å; N294-P387 HydrophobicContact CB-CG 3.91Å; P387-G389 PolarHBondContact O-N 3.49Å
388	G	95.9	Very high	94.4	Very high	22 Å²	22	44.8 Å²	44.8	23%	0.227	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-30.7	-174.2	0	0	0	0	0	115.6	E287 K316	E287-G388 WeakPolarHBondContact O-CA 3.46Å; K316-G388 PolarHBondContact NZ-O 3.14Å
389	G	95.8	Very high	94.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-36.5	177.1	0	0	0	0	0	114.5	L312 P386 P387 S393	L312-G389 WeakPolarHBondContact CD1-O 3.44Å; P386-G389 PolarHBondContact O-N 3.33Å; P387-G389 PolarHBondContact O-N 3.49Å; G389-S393 PolarHBondContact O-N 2.95Å
390	G	96.1	Very high	94.7	Very high	22 Å²	22	41.3 Å²	41.3	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	55.5	-154.4	-178.6	0	0	0	0	0	112.9	P386 Q392 S393	P386-G390 PolarHBondContact O-N 3.32Å; G390-Q392 PolarHBondContact O-N 2.86Å; G390-S393 PolarHBondContact O-N 3.28Å; G390-S393 PolarHBondContact O-OG 3.4Å
391	I	95	Very high	94.8	Very high	30 Å²	30	39.6 Å²	39.6	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-28.5	-179.2	-165.4	63.4	0	0	0	112.3	L350 I382 L385 S393 K394 R395 I398	L350-I391 HydrophobicContact CD2-CD1 3.72Å; I382-I391 HydrophobicContact CD1-CD1 3.57Å; L385-I391 HydrophobicContact CD1-CB 4.15Å; L385-I391 HydrophobicContact CD1-CD1 4.44Å; L385-I391 HydrophobicContact CD2-CB 4.49Å; L385-I391 HydrophobicContact CD2-CD1 3.81Å; I391-S393 VanDerWaalsContact C-N 3.28Å; I391-S393 PolarHBondContact O-N 2.88Å; I391-K394 PolarHBondContact O-N 3.06Å; I391-K394 VanDerWaalsContact O-N 3.07Å; I391-R395 PolarHBondContact O-N 2.84Å; I391-I398 HydrophobicContact CD1-CD1 3.61Å; I391-I398 HydrophobicContact CG1-CD1 3.8Å
392	Q	94.4	Very high	94.8	Very high	73 Å²	73	33.6 Å²	33.6	34%	0.341	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-37.5	179.1	-66.8	82.9	-8.8	0	0	111.3	L312 Y315 K316 G390 K394 R395	L312-Q392 HydrophobicContact CD1-CB 3.78Å; Y315-Q392 WeakPolarHBondContact CD2-O 3.23Å; K316-Q392 HydrophobicContact CG-CB 4.33Å; K316-Q392 HydrophobicContact CG-CG 4.25Å; G390-Q392 PolarHBondContact O-N 2.86Å; Q392-K394 PolarHBondContact O-N 3.44Å; Q392-R395 VanDerWaalsContact O-CB 3.24Å; Q392-R395 WeakPolarHBondContact O-CB 3.5Å; Q392-R395 PolarHBondContact O-N 3.44Å; Q392-R395 VanDerWaalsContact O-N 3.14Å
393	S	95.9	Very high	94.7	Very high	17 Å²	17	33.8 Å²	33.8	12%	0.119	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-22.6	176.7	68.9	0	0	0	0	113.8	F291 P386 G389 G390 I391	F291-S393 VanDerWaalsContact CE2-CB 3.42Å; P386-S393 WeakPolarHBondContact CG-OG 3.21Å; G389-S393 PolarHBondContact O-N 2.95Å; G390-S393 PolarHBondContact O-N 3.28Å; G390-S393 PolarHBondContact O-OG 3.4Å; I391-S393 VanDerWaalsContact C-N 3.28Å; I391-S393 PolarHBondContact O-N 2.88Å
394	K	96.1	Very high	94.5	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.043	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	9.9	178.3	-58.8	-59.2	-62	176.9	0	113.1	E343 L346 E347 L350 L385 P386 I391 Q392 N396 C397 I398	E343-K394 IonicContact OE1-NZ 3.89Å; E343-K394 PolarHBondContact OE1-NZ 3.28Å; L346-K394 HydrophobicContact CD2-CD 4.15Å; L346-K394 HydrophobicContact CD2-CG 4.18Å; E347-K394 IonicContact OE1-NZ 2.92Å; E347-K394 PolarHBondContact OE1-NZ 2.67Å; L350-K394 HydrophobicContact CD1-CB 3.62Å; L350-K394 HydrophobicContact CD1-CG 3.89Å; L385-K394 HydrophobicContact CD2-CG 4.26Å; P386-K394 HydrophobicContact CG-CD 4.03Å; P386-K394 HydrophobicContact CG-CG 4.32Å; I391-K394 PolarHBondContact O-N 3.06Å; I391-K394 VanDerWaalsContact O-N 3.07Å; Q392-K394 PolarHBondContact O-N 3.44Å; K394-N396 VanDerWaalsContact C-N 3.3Å; K394-N396 PolarHBondContact O-N 2.83Å; K394-C397 WeakPolarHBondContact O-CB 3.21Å; K394-C397 PolarHBondContact O-N 3.21Å; K394-C397 VanDerWaalsContact O-N 3.11Å; K394-I398 WeakPolarHBondContact O-CG1 3.48Å; K394-I398 PolarHBondContact O-N 3.26Å
395	R	93.7	Very high	94.3	Very high	18 Å²	18	32.2 Å²	32.2	7%	0.068	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-36.3	-175.7	-163.2	174.4	-168.6	160.8	0.3	113	E11 Y315 L374 I391 Q392 I398 I399	E11-R395 VanDerWaalsContact CD-NH2 3.34Å; E11-R395 IonicContact OE1-NH2 3.07Å; E11-R395 PolarHBondContact OE1-NH2 2.96Å; E11-R395 IonicContact OE2-CZ 3.93Å; E11-R395 IonicContact OE2-NH1 3.39Å; E11-R395 PolarHBondContact OE2-NH1 3.04Å; E11-R395 IonicContact OE2-NH2 3.55Å; E11-R395 PolarHBondContact OE2-NH2 3.22Å; Y315-R395 HydrophobicContact CD2-CB 3.55Å; Y315-R395 HydrophobicContact CD2-CG 4.17Å; Y315-R395 HydrophobicContact CE2-CB 3.67Å; Y315-R395 HydrophobicContact CE2-CG 4.26Å; Y315-R395 HydrophobicContact CG-CB 4.23Å; Y315-R395 VanDerWaalsContact CG-CD 3.47Å; Y315-R395 HydrophobicContact CG-CG 4.43Å; L374-R395 HydrophobicContact CD2-CG 4.32Å; I391-R395 PolarHBondContact O-N 2.84Å; Q392-R395 VanDerWaalsContact O-CB 3.24Å; Q392-R395 WeakPolarHBondContact O-CB 3.5Å; Q392-R395 PolarHBondContact O-N 3.44Å; Q392-R395 VanDerWaalsContact O-N 3.14Å; R395-I398 PolarHBondContact O-N 3.5Å; R395-I399 HydrophobicContact CG-CD1 3.94Å; R395-I399 HydrophobicContact CG-CG1 4.37Å; R395-I399 WeakPolarHBondContact O-CB 3.36Å; R395-I399 WeakPolarHBondContact O-CD1 3.27Å; R395-I399 WeakPolarHBondContact O-CG1 3.44Å; R395-I399 PolarHBondContact O-N 3.12Å
396	N	90.3	Very high	94	Very high	77 Å²	77	32.5 Å²	32.5	41%	0.412	18%	0.184	S	C	.	.	H	α-helix	trans	-62.1	-44.1	175.3	-76	-25.4	0	0	0	112.5	D311 Y315 K394 I399 S400	D311-N396 PolarHBondContact OD2-ND2 3.23Å; Y315-N396 PolarHBondContact OH-OD1 2.9Å; K394-N396 VanDerWaalsContact C-N 3.3Å; K394-N396 PolarHBondContact O-N 2.83Å; N396-I399 PolarHBondContact O-N 3.4Å; N396-S400 PolarHBondContact O-N 2.81Å
397	C	92.6	Very high	93.5	Very high	28 Å²	28	35.1 Å²	35.1	19%	0.189	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-48.3	173.6	168.9	0	0	0	0	110.9	K394 I399 S400 A401	K394-C397 WeakPolarHBondContact O-CB 3.21Å; K394-C397 PolarHBondContact O-N 3.21Å; K394-C397 VanDerWaalsContact O-N 3.11Å; C397-I399 VanDerWaalsContact C-N 3.35Å; C397-I399 PolarHBondContact O-N 3.08Å; C397-S400 WeakPolarHBondContact O-CB 3.2Å; C397-S400 PolarHBondContact O-N 3.26Å; C397-A401 PolarHBondContact O-N 3.14Å
398	I	94.6	Very high	93	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-42.8	178.4	-64.8	163.7	0	0	0	111.8	L350 V354 L374 L377 I391 K394 R395 S400 A401 Y402	L350-I398 HydrophobicContact CD2-CD1 4.37Å; L350-I398 HydrophobicContact CD2-CG1 4.26Å; V354-I398 HydrophobicContact CG2-CB 4.47Å; V354-I398 HydrophobicContact CG2-CG2 3.86Å; L374-I398 HydrophobicContact CD2-CG2 3.67Å; L377-I398 HydrophobicContact CD1-CD1 4.18Å; L377-I398 HydrophobicContact CD1-CG1 4.26Å; L377-I398 HydrophobicContact CD1-CG2 3.5Å; I391-I398 HydrophobicContact CD1-CD1 3.61Å; I391-I398 HydrophobicContact CG1-CD1 3.8Å; K394-I398 WeakPolarHBondContact O-CG1 3.48Å; K394-I398 PolarHBondContact O-N 3.26Å; R395-I398 PolarHBondContact O-N 3.5Å; I398-S400 VanDerWaalsContact C-N 3.34Å; I398-A401 PolarHBondContact O-N 3.23Å; I398-Y402 WeakPolarHBondContact O-CB 3.45Å; I398-Y402 PolarHBondContact O-N 2.92Å
399	I	92.4	Very high	92.4	Very high	17 Å²	17	39.5 Å²	39.5	9%	0.087	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-44.3	177.5	-71.7	163.7	0	0	0	110.5	F4 L370 R395 N396 C397 Y402 Y403	F4-I399 HydrophobicContact CD2-CD1 3.36Å; F4-I399 HydrophobicContact CD2-CG1 4.36Å; F4-I399 HydrophobicContact CE2-CD1 3.55Å; F4-I399 HydrophobicContact CG-CD1 4.1Å; F4-I399 HydrophobicContact CZ-CD1 4.43Å; L370-I399 HydrophobicContact CD1-CG1 4.23Å; L370-I399 HydrophobicContact CD2-CG1 3.93Å; R395-I399 HydrophobicContact CG-CD1 3.94Å; R395-I399 HydrophobicContact CG-CG1 4.37Å; R395-I399 WeakPolarHBondContact O-CB 3.36Å; R395-I399 WeakPolarHBondContact O-CD1 3.27Å; R395-I399 WeakPolarHBondContact O-CG1 3.44Å; R395-I399 PolarHBondContact O-N 3.12Å; N396-I399 PolarHBondContact O-N 3.4Å; C397-I399 VanDerWaalsContact C-N 3.35Å; C397-I399 PolarHBondContact O-N 3.08Å; I399-Y402 PolarHBondContact O-N 3.09Å; I399-Y403 HydrophobicContact CG2-CD2 3.72Å; I399-Y403 HydrophobicContact CG2-CE2 3.51Å; I399-Y403 WeakPolarHBondContact O-CD2 3.28Å; I399-Y403 PolarHBondContact O-N 3.23Å; I399-Y403 VanDerWaalsContact O-N 3.1Å
400	S	92	Very high	91.6	Very high	82 Å²	82	42.4 Å²	42.4	57%	0.573	23%	0.226	S	C	*	.	H	α-helix	trans	-61	-50.3	177.5	-170.3	0	0	0	0	111.3	N396 C397 I398 Y402 Y403 H404	N396-S400 PolarHBondContact O-N 2.81Å; C397-S400 WeakPolarHBondContact O-CB 3.2Å; C397-S400 PolarHBondContact O-N 3.26Å; I398-S400 VanDerWaalsContact C-N 3.34Å; S400-Y402 VanDerWaalsContact C-N 3.3Å; S400-Y402 PolarHBondContact O-N 2.94Å; S400-Y403 PolarHBondContact O-N 3.28Å; S400-H404 PolarHBondContact O-N 2.92Å
401	A	93.8	Very high	90.2	Very high	10 Å²	10	46.9 Å²	46.9	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-40.8	177.1	0	0	0	0	0	112.3	E351 V354 C397 I398 H404 Q405	E351-A401 HydrophobicContact CB-CB 4.29Å; E351-A401 HydrophobicContact CG-CB 4.14Å; V354-A401 HydrophobicContact CB-CB 3.99Å; V354-A401 HydrophobicContact CG1-CB 3.95Å; V354-A401 HydrophobicContact CG2-CB 4.13Å; C397-A401 PolarHBondContact O-N 3.14Å; I398-A401 PolarHBondContact O-N 3.23Å; A401-H404 PolarHBondContact O-N 3.26Å; A401-Q405 PolarHBondContact O-N 3.26Å
402	Y	94.7	Very high	88.3	Confident	11 Å²	11	49.4 Å²	49.4	4%	0.043	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-46.8	177.8	166.7	-89.2	0	0	0	111.8	Y358 P368 D369 L370 V373 I398 I399 S400 H404 Q405 R406	Y358-Y402 AromaticContact CD2-CD2 3.95Å; Y358-Y402 HydrophobicContact CD2-CD2 3.95Å; Y358-Y402 AromaticContact CD2-CE2 3.82Å; Y358-Y402 HydrophobicContact CD2-CE2 3.82Å; Y358-Y402 HydrophobicContact CE2-CD2 4.25Å; Y358-Y402 AromaticContact CE2-CE2 3.75Å; Y358-Y402 HydrophobicContact CE2-CE2 3.75Å; P368-Y402 PolarHBondContact O-OH 3.31Å; D369-Y402 WeakPolarHBondContact CA-OH 3.47Å; L370-Y402 HydrophobicContact CB-CD1 3.92Å; L370-Y402 HydrophobicContact CB-CD2 4.19Å; L370-Y402 HydrophobicContact CB-CE1 3.76Å; L370-Y402 HydrophobicContact CB-CE2 3.99Å; L370-Y402 HydrophobicContact CB-CG 4.14Å; L370-Y402 HydrophobicContact CD1-CD1 4.02Å; L370-Y402 HydrophobicContact CD1-CD2 4.16Å; L370-Y402 HydrophobicContact CD1-CG 3.72Å; L370-Y402 HydrophobicContact CG-CD1 4.45Å; L370-Y402 VanDerWaalsContact N-CZ 3.34Å; L370-Y402 PolarHBondContact N-OH 3.28Å; V373-Y402 HydrophobicContact CB-CD2 4.31Å; V373-Y402 HydrophobicContact CG2-CD2 3.78Å; V373-Y402 HydrophobicContact CG2-CE2 3.94Å; I398-Y402 WeakPolarHBondContact O-CB 3.45Å; I398-Y402 PolarHBondContact O-N 2.92Å; I399-Y402 PolarHBondContact O-N 3.09Å; S400-Y402 VanDerWaalsContact C-N 3.3Å; S400-Y402 PolarHBondContact O-N 2.94Å; Y402-H404 VanDerWaalsContact C-N 3.32Å; Y402-H404 PolarHBondContact O-N 2.8Å; Y402-Q405 PolarHBondContact O-N 2.93Å; Y402-R406 WeakPolarHBondContact O-CB 2.84Å; Y402-R406 PolarHBondContact O-N 3.44Å
403	Y	91.6	Very high	86.2	Confident	19 Å²	19	49.8 Å²	49.8	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-35	179.9	-76.2	-62.1	0	0	0	111.9	A3 F4 I399 S400 R406 E407	A3-Y403 WeakPolarHBondContact CB-OH 3.14Å; F4-Y403 PolarHBondContact N-OH 2.93Å; I399-Y403 HydrophobicContact CG2-CD2 3.72Å; I399-Y403 HydrophobicContact CG2-CE2 3.51Å; I399-Y403 WeakPolarHBondContact O-CD2 3.28Å; I399-Y403 PolarHBondContact O-N 3.23Å; I399-Y403 VanDerWaalsContact O-N 3.1Å; S400-Y403 PolarHBondContact O-N 3.28Å; Y403-R406 PolarHBondContact O-N 3.5Å; Y403-E407 WeakPolarHBondContact O-CG 3.37Å; Y403-E407 PolarHBondContact O-N 2.96Å
404	H	91.6	Very high	83.7	Confident	98 Å²	98	54.6 Å²	54.6	45%	0.454	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-49.3	172.2	-171.5	63.8	0	0	0	111.2	E351 S400 A401 Y402 R406 E407 T408	E351-H404 IonicContact OE1-CD2 2.69Å; S400-H404 PolarHBondContact O-N 2.92Å; A401-H404 PolarHBondContact O-N 3.26Å; Y402-H404 VanDerWaalsContact C-N 3.32Å; Y402-H404 PolarHBondContact O-N 2.8Å; H404-R406 VanDerWaalsContact C-N 3.34Å; H404-R406 PolarHBondContact O-N 3.26Å; H404-E407 PolarHBondContact O-N 3.2Å; H404-T408 WeakPolarHBondContact O-CG2 3.34Å; H404-T408 PolarHBondContact O-N 2.91Å; H404-T408 VanDerWaalsContact O-N 3.08Å
405	Q	91.9	Very high	81.4	Confident	28 Å²	28	56.6 Å²	56.6	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-65.8	-34.8	178.9	-170.7	67.1	-2.8	0	0	113.2	A355 Y358 D359 A401 Y402 T408 H409	A355-Q405 HydrophobicContact CB-CG 4.39Å; Y358-Q405 HydrophobicContact CD1-CG 3.68Å; Y358-Q405 HydrophobicContact CD2-CG 4.38Å; Y358-Q405 HydrophobicContact CE1-CG 4.4Å; Y358-Q405 HydrophobicContact CG-CB 4.42Å; Y358-Q405 HydrophobicContact CG-CG 3.68Å; D359-Q405 PolarHBondContact OD1-NE2 3.15Å; A401-Q405 PolarHBondContact O-N 3.26Å; Y402-Q405 PolarHBondContact O-N 2.93Å; Q405-T408 PolarHBondContact O-N 3.37Å; Q405-T408 PolarHBondContact O-OG1 3.14Å; Q405-H409 PolarHBondContact NE2-CE1 3.3Å; Q405-H409 VanDerWaalsContact NE2-CE1 3.34Å; Q405-H409 PolarHBondContact O-N 3.5Å; Q405-H409 PolarHBondContact O-ND1 3.49Å
406	R	89.4	Confident	79.1	Confident	54 Å²	54	60.7 Å²	60.7	20%	0.204	36%	0.363	C	S	.	.	H	α-helix	trans	-66	-40.2	174.9	-170.6	-176.4	69.6	160.2	3.6	111.7	Y358 E367 Y402 Y403 H404 H409 N410	Y358-R406 HydrophobicContact CE2-CB 4.12Å; Y358-R406 HydrophobicContact CE2-CG 4.43Å; E367-R406 VanDerWaalsContact OE1-CD 3.25Å; E367-R406 WeakPolarHBondContact OE1-CD 3.44Å; E367-R406 VanDerWaalsContact OE1-CG 3.24Å; E367-R406 WeakPolarHBondContact OE1-CG 3.41Å; Y402-R406 WeakPolarHBondContact O-CB 2.84Å; Y402-R406 PolarHBondContact O-N 3.44Å; Y403-R406 PolarHBondContact O-N 3.5Å; H404-R406 VanDerWaalsContact C-N 3.34Å; H404-R406 PolarHBondContact O-N 3.26Å; R406-H409 PolarHBondContact O-N 2.85Å; R406-N410 PolarHBondContact O-N 3Å
407	E	88.6	Confident	76.9	Confident	60 Å²	60	63 Å²	63	28%	0.28	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-35.7	177	-75.5	-176.6	149.2	0	0	112.7	Y403 H404 H409 N410 P411 N415	Y403-E407 WeakPolarHBondContact O-CG 3.37Å; Y403-E407 PolarHBondContact O-N 2.96Å; H404-E407 PolarHBondContact O-N 3.2Å; E407-H409 VanDerWaalsContact C-N 3.3Å; E407-H409 PolarHBondContact O-N 2.98Å; E407-N410 CarbonylContact O-C 3.59Å; E407-N410 VanDerWaalsContact O-C 3.31Å; E407-N410 PolarHBondContact O-N 2.92Å; E407-P411 WeakPolarHBondContact O-CA 3.47Å; E407-N415 WeakPolarHBondContact OE1-CB 3.42Å; E407-N415 PolarHBondContact OE1-N 3.38Å; E407-N415 PolarHBondContact OE1-ND2 3.38Å; E407-N415 PolarHBondContact OE2-ND2 2.94Å
408	T	87.1	Confident	74.2	Confident	77 Å²	77	64.6 Å²	64.6	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-65.2	-35.4	176.5	62.5	0	0	0	0	111.7	H404 Q405	H404-T408 WeakPolarHBondContact O-CG2 3.34Å; H404-T408 PolarHBondContact O-N 2.91Å; H404-T408 VanDerWaalsContact O-N 3.08Å; Q405-T408 PolarHBondContact O-N 3.37Å; Q405-T408 PolarHBondContact O-OG1 3.14Å
409	H	83.6	Confident	71.3	Confident	96 Å²	96	70.3 Å²	70.3	44%	0.444	44%	0.436	S	S	.	.	H	α-helix	trans	-77.8	-31.8	175.1	-79.3	73.4	0	0	0	113.6	Y358 D359 Q405 R406 E407	Y358-H409 HydrophobicContact CE1-CB 4.2Å; Y358-H409 AromaticContact CE1-CG 3.77Å; Y358-H409 AromaticContact CE1-ND1 3.81Å; D359-H409 IonicContact OD1-CE1 3.26Å; D359-H409 PolarHBondContact OD1-CE1 3.17Å; D359-H409 IonicContact OD1-NE2 3.44Å; D359-H409 PolarHBondContact OD1-NE2 3.48Å; Q405-H409 PolarHBondContact NE2-CE1 3.3Å; Q405-H409 VanDerWaalsContact NE2-CE1 3.34Å; Q405-H409 PolarHBondContact O-N 3.5Å; Q405-H409 PolarHBondContact O-ND1 3.49Å; R406-H409 PolarHBondContact O-N 2.85Å; E407-H409 VanDerWaalsContact C-N 3.3Å; E407-H409 PolarHBondContact O-N 2.98Å
410	N	77.9	Confident	68.3	Low	63 Å²	63	78.9 Å²	78.9	34%	0.337	50%	0.497	S	S	.	.			trans	-136.9	74.3	-174.9	-159.9	-6.9	0	0	0	112.3	R406 E407 A412	R406-N410 PolarHBondContact O-N 3Å; E407-N410 CarbonylContact O-C 3.59Å; E407-N410 VanDerWaalsContact O-C 3.31Å; E407-N410 PolarHBondContact O-N 2.92Å; N410-A412 PolarHBondContact O-N 2.67Å
411	P	66.4	Low	67.2	Low	116 Å²	116	78.7 Å²	78.7	75%	0.753	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-1.8	-174.6	24.6	-33.7	0	0	0	114.7	E407	E407-P411 WeakPolarHBondContact O-CA 3.47Å
412	A	56.3	Low	65.8	Low	83 Å²	83	82.3 Å²	82.3	69%	0.686	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.2	-177.3	0	0	0	0	0	114.6	N410	N410-A412 PolarHBondContact O-N 2.67Å
413	V	50.3	Low	64.2	Low	80 Å²	80	86.3 Å²	86.3	49%	0.485	54%	0.541	S	S	.	.	S	Bend	trans	-118.4	103.7	-179.3	-173.1	0	0	0	0	110
414	P	42.8	Very low	62.5	Low	119 Å²	119	90.2 Å²	90.2	77%	0.773	57%	0.569	S	S	*	*			trans	-67.7	135.8	-180	-11.7	24.3	0	0	0	111.8	A416	P414-A416 PolarHBondContact O-N 3.33Å
415	N	47.6	Very low	60.7	Low	52 Å²	52	89.8 Å²	89.8	28%	0.278	58%	0.576	S	S	.	*			trans	-61.4	128.4	166.1	-100.2	-25.4	0	0	0	111.7	E407 L417	E407-N415 WeakPolarHBondContact OE1-CB 3.42Å; E407-N415 PolarHBondContact OE1-N 3.38Å; E407-N415 PolarHBondContact OE1-ND2 3.38Å; E407-N415 PolarHBondContact OE2-ND2 2.94Å; N415-L417 HydrophobicContact CB-CB 4.48Å; N415-L417 PolarHBondContact O-N 3.48Å; N415-L417 VanDerWaalsContact O-N 3.15Å
416	A	46	Very low	58.6	Low	103 Å²	103	93.9 Å²	93.9	85%	0.851	61%	0.605	S	S	*	*	S	Bend	trans	-83.8	42.4	167.7	0	0	0	0	0	111.8	P414	P414-A416 PolarHBondContact O-N 3.33Å
417	L	44.5	Very low	56.4	Low	125 Å²	125	96.7 Å²	96.7	65%	0.654	63%	0.634	S	S	*	*			trans	-114.4	12.2	178.9	-80.4	162.5	0	0	0	112.9	N415	N415-L417 HydrophobicContact CB-CB 4.48Å; N415-L417 PolarHBondContact O-N 3.48Å; N415-L417 VanDerWaalsContact O-N 3.15Å
418	G	35.5	Very low	54	Low	62 Å²	62	99.5 Å²	99.5	64%	0.639	66%	0.661	S	S	*	*	S	Bend	trans	-90	117.4	167.6	0	0	0	0	0	111.6
419	S	33.5	Very low	51.2	Low	122 Å²	122	101.4 Å²	101.4	85%	0.853	68%	0.677	S	S	*	*			trans	60.3	101.3	161.9	61	0	0	0	0	118.6
420	S	30.2	Very low	48.3	Very low	196 Å²	196	101.9 Å²	101.9	100%	1.371	70%	0.698	S	S	*	*				-170.5	0	115.3	61.3	0	0	0	0	109.8

Retrieved 420 of 420 residues in 361.3 ms (Link to these results)

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