A0A096NF04_PAPAN Loading...

RB-associated KRAB zinc finger protein

May repress E2F-dependent transcription. May promote AR-dependent transcription.

AlphaFold DB , UniProt , Accession A0A096NF04, Species PAPAN (Papio anubis, Olive baboon), Gene RBAK, Length 715 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	52.1	Low	242 Å²	242	122.9 Å²	122.9	100%	1.192	67%	0.674	S	S	*	*				0	136.9	0	-71.4	166.3	169.7	0	0	107.3
2	N	36.8	Very low	54	Low	159 Å²	159	121.9 Å²	121.9	85%	0.85	67%	0.668	S	S	*	*			trans	-82.6	121.4	172.3	-71.3	-5.6	0	0	0	108.6
3	T	35.5	Very low	55.3	Low	138 Å²	138	116.2 Å²	116.2	85%	0.847	64%	0.639	S	S	*	*			trans	-84.4	115.5	154.5	43.9	0	0	0	0	107.1	Q5	T3-Q5 PolarHBondContact O-N 3.38Å
4	L	40.2	Very low	56.7	Low	168 Å²	168	109.2 Å²	109.2	88%	0.88	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-63.9	121.9	169.8	-80.1	84.1	0	0	0	108.1
5	Q	44.7	Very low	57.9	Low	192 Å²	192	107.3 Å²	107.3	90%	0.897	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-79.4	133.3	165	-154.7	162.8	9.3	0	0	107.1	T3	T3-Q5 PolarHBondContact O-N 3.38Å
6	G	50.6	Low	58.9	Low	54 Å²	54	104.9 Å²	104.9	56%	0.557	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-62	161.8	-172.6	0	0	0	0	0	113.7	V8	G6-V8 PolarHBondContact O-N 2.67Å
7	P	57	Low	59.8	Low	107 Å²	107	101.6 Å²	101.6	70%	0.695	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-61.1	130.4	176.2	27.5	-34.4	0	0	0	110.4	S9 Y49	P7-S9 PolarHBondContact O-N 3.42Å; P7-Y49 HydrophobicContact CB-CD1 4.31Å; P7-Y49 HydrophobicContact CB-CE1 3.77Å
8	V	61.9	Low	60.4	Low	61 Å²	61	99.1 Å²	99.1	37%	0.37	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-74.5	121.1	177.8	-179.4	0	0	0	0	108.6	G6 D12 V13 L44	G6-V8 PolarHBondContact O-N 2.67Å; V8-D12 HydrophobicContact CG1-CB 3.87Å; V8-V13 HydrophobicContact CG1-CG1 3.89Å; V8-L44 HydrophobicContact CG1-CD2 4.4Å
9	S	69	Low	60.8	Low	48 Å²	48	98.9 Å²	98.9	34%	0.336	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-85.6	168.3	176.9	80.7	0	0	0	0	111.4	P7 K11 D12	P7-S9 PolarHBondContact O-N 3.42Å; S9-K11 PolarHBondContact O-N 2.81Å; S9-K11 PolarHBondContact OG-N 3.09Å; S9-D12 WeakPolarHBondContact CA-OD2 3.47Å; S9-D12 VanDerWaalsContact CB-OD2 3.24Å; S9-D12 WeakPolarHBondContact CB-OD2 3.4Å; S9-D12 PolarHBondContact N-OD2 2.93Å; S9-D12 PolarHBondContact O-N 3.01Å; S9-D12 PolarHBondContact OG-OD2 3.14Å
10	F	72.3	Confident	61.2	Low	15 Å²	15	100 Å²	100	7%	0.066	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-60.6	-33.1	171.8	-177.5	-97.3	0	0	0	112.3	D12 V13 A14 M37 Y41 L44 I51 P54 I57	F10-D12 PolarHBondContact O-N 3.16Å; F10-V13 HydrophobicContact CD2-CG2 4.47Å; F10-V13 WeakPolarHBondContact O-CG2 3.39Å; F10-V13 PolarHBondContact O-N 2.9Å; F10-A14 HydrophobicContact CD1-CB 4.05Å; F10-A14 HydrophobicContact CE1-CB 3.68Å; F10-A14 HydrophobicContact CZ-CB 4.16Å; F10-A14 WeakPolarHBondContact O-CB 3.48Å; F10-A14 PolarHBondContact O-N 3.34Å; F10-M37 HydrophobicContact CZ-SD 4.45Å; F10-Y41 HydrophobicContact CD2-CD2 4.27Å; F10-L44 HydrophobicContact CB-CD1 4.19Å; F10-L44 HydrophobicContact CD2-CD1 4.21Å; F10-I51 HydrophobicContact CB-CG2 4.42Å; F10-P54 HydrophobicContact CB-CG 3.94Å; F10-P54 HydrophobicContact CD1-CB 3.83Å; F10-P54 HydrophobicContact CD1-CG 3.48Å; F10-P54 VanDerWaalsContact CD1-CG 3.48Å; F10-P54 HydrophobicContact CD2-CG 4.18Å; F10-P54 HydrophobicContact CE1-CB 4.06Å; F10-P54 HydrophobicContact CE1-CG 4.03Å; F10-P54 HydrophobicContact CG-CB 4.42Å; F10-P54 HydrophobicContact CG-CG 3.58Å; F10-I57 HydrophobicContact CE1-CG1 4.25Å; F10-I57 HydrophobicContact CE2-CD1 3.86Å; F10-I57 HydrophobicContact CE2-CG1 3.97Å; F10-I57 HydrophobicContact CZ-CD1 3.62Å; F10-I57 HydrophobicContact CZ-CG1 3.71Å
11	K	71.4	Confident	61.8	Low	168 Å²	168	99.5 Å²	99.5	73%	0.73	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.7	178	-69.5	-166.5	171.3	-163	0	113.5	S9 V13	S9-K11 PolarHBondContact O-N 2.81Å; S9-K11 PolarHBondContact OG-N 3.09Å; K11-V13 VanDerWaalsContact C-N 3.27Å; K11-V13 PolarHBondContact O-N 2.85Å
12	D	74	Confident	64	Low	111 Å²	111	88.4 Å²	88.4	59%	0.594	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-78.6	-10.6	179.3	-57	-69.9	0	0	0	113.3	V8 S9 F10	V8-D12 HydrophobicContact CG1-CB 3.87Å; S9-D12 WeakPolarHBondContact CA-OD2 3.47Å; S9-D12 VanDerWaalsContact CB-OD2 3.24Å; S9-D12 WeakPolarHBondContact CB-OD2 3.4Å; S9-D12 PolarHBondContact N-OD2 2.93Å; S9-D12 PolarHBondContact O-N 3.01Å; S9-D12 PolarHBondContact OG-OD2 3.14Å; F10-D12 PolarHBondContact O-N 3.16Å
13	V	71.4	Confident	65.6	Low	48 Å²	48	85.7 Å²	85.7	29%	0.291	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-8.1	178.9	-56.4	0	0	0	0	113.8	V8 F10 K11 N40 L44	V8-V13 HydrophobicContact CG1-CG1 3.89Å; F10-V13 HydrophobicContact CD2-CG2 4.47Å; F10-V13 WeakPolarHBondContact O-CG2 3.39Å; F10-V13 PolarHBondContact O-N 2.9Å; K11-V13 VanDerWaalsContact C-N 3.27Å; K11-V13 PolarHBondContact O-N 2.85Å; V13-N40 HydrophobicContact CG2-CB 4.31Å; V13-N40 PolarHBondContact O-ND2 3.05Å; V13-L44 HydrophobicContact CG2-CD1 3.53Å; V13-L44 HydrophobicContact CG2-CG 4.24Å
14	A	74.9	Confident	67.5	Low	18 Å²	18	86.6 Å²	86.6	15%	0.149	46%	0.46	C	S	.	.			trans	-66.4	158.4	164.7	0	0	0	0	0	110.3	F10	F10-A14 HydrophobicContact CD1-CB 4.05Å; F10-A14 HydrophobicContact CE1-CB 3.68Å; F10-A14 HydrophobicContact CZ-CB 4.16Å; F10-A14 WeakPolarHBondContact O-CB 3.48Å; F10-A14 PolarHBondContact O-N 3.34Å
15	V	74.8	Confident	69.3	Low	80 Å²	80	80.2 Å²	80.2	49%	0.485	43%	0.426	S	S	.	.			trans	-123	114.6	157.6	177	0	0	0	0	102.7	Y33 M37	V15-Y33 WeakPolarHBondContact O-CE2 3.24Å; V15-Y33 PolarHBondContact O-OH 2.85Å; V15-M37 HydrophobicContact CB-CE 3.68Å; V15-M37 HydrophobicContact CG2-CE 4.07Å
16	D	73.8	Confident	70.9	Confident	70 Å²	70	74.8 Å²	74.8	37%	0.374	40%	0.403	S	S	.	.			trans	-87.3	149	170.3	-63.7	-51.7	0	0	0	108.1	I68	D16-I68 HydrophobicContact CB-CD1 4.29Å
17	F	73.5	Confident	71.8	Confident	49 Å²	49	76.9 Å²	76.9	22%	0.215	41%	0.407	C	S	.	.			trans	-120.6	146	176.5	-79.7	-67	0	0	0	109.5	E21 W22 L25 Y33 W67	F17-E21 HydrophobicContact CB-CB 4.35Å; F17-E21 HydrophobicContact CD1-CB 3.78Å; F17-E21 HydrophobicContact CG-CB 4.49Å; F17-W22 HydrophobicContact CB-CB 4.34Å; F17-W22 HydrophobicContact CB-CE3 4.2Å; F17-W22 AromaticContact CD2-CE3 3.67Å; F17-W22 HydrophobicContact CD2-CE3 3.67Å; F17-W22 AromaticContact CD2-CZ3 3.92Å; F17-W22 HydrophobicContact CD2-CZ3 3.92Å; F17-W22 HydrophobicContact CE2-CE3 4.38Å; F17-W22 HydrophobicContact CE2-CZ3 4.34Å; F17-W22 HydrophobicContact CG-CE3 4.24Å; F17-L25 HydrophobicContact CD2-CD1 3.97Å; F17-L25 HydrophobicContact CE1-CD1 4.43Å; F17-L25 HydrophobicContact CE1-CD2 4.45Å; F17-L25 HydrophobicContact CE2-CD1 3.6Å; F17-L25 HydrophobicContact CZ-CD1 3.86Å; F17-L25 HydrophobicContact CZ-CD2 4.12Å; F17-Y33 AromaticContact CD2-CD2 3.82Å; F17-Y33 HydrophobicContact CD2-CD2 3.82Å; F17-Y33 AromaticContact CD2-CE2 3.5Å; F17-Y33 HydrophobicContact CD2-CE2 3.5Å; F17-Y33 AromaticContact CE2-CD2 3.47Å; F17-Y33 HydrophobicContact CE2-CD2 3.47Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.47Å; F17-Y33 AromaticContact CE2-CE2 3.61Å; F17-Y33 HydrophobicContact CE2-CE2 3.61Å; F17-Y33 HydrophobicContact CE2-CG 4.37Å; F17-W67 WeakPolarHBondContact O-CB 3.34Å
18	T	71.7	Confident	72.5	Confident	56 Å²	56	77.4 Å²	77.4	34%	0.344	40%	0.404	S	S	.	.			trans	-71.1	169	166.5	86.7	0	0	0	0	110.9	E20 E21 W22	T18-E20 VanDerWaalsContact C-N 3.26Å; T18-E20 WeakPolarHBondContact CB-OE2 3.24Å; T18-E20 PolarHBondContact O-N 3.24Å; T18-E20 PolarHBondContact OG1-N 3.15Å; T18-E20 PolarHBondContact OG1-OE2 3.18Å; T18-E21 HydrophobicContact CG2-CG 4.47Å; T18-E21 PolarHBondContact N-OE2 3.3Å; T18-E21 PolarHBondContact OG1-N 2.86Å; T18-W22 VanDerWaalsContact O-CB 3.25Å; T18-W22 WeakPolarHBondContact O-CB 3.45Å; T18-W22 PolarHBondContact O-N 3.5Å
19	Q	67.1	Low	73	Confident	95 Å²	95	79.2 Å²	79.2	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-35.8	176.5	-174.7	170.2	-45.7	0	0	111.5	W22 Q23 W67	Q19-W22 PolarHBondContact O-N 3.13Å; Q19-Q23 WeakPolarHBondContact O-CG 3.46Å; Q19-Q23 PolarHBondContact O-N 2.92Å; Q19-W67 HydrophobicContact CB-CD2 4.19Å; Q19-W67 HydrophobicContact CB-CG 4.08Å; Q19-W67 HydrophobicContact CG-CD2 4.11Å; Q19-W67 HydrophobicContact CG-CH2 4.43Å; Q19-W67 HydrophobicContact CG-CZ2 3.81Å
20	E	68.3	Low	73.5	Confident	121 Å²	121	78.8 Å²	78.8	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-72.4	-40.6	-178.5	-55	64.4	-134.1	0	0	111.3	T18 Q24	T18-E20 VanDerWaalsContact C-N 3.26Å; T18-E20 WeakPolarHBondContact CB-OE2 3.24Å; T18-E20 PolarHBondContact O-N 3.24Å; T18-E20 PolarHBondContact OG1-N 3.15Å; T18-E20 PolarHBondContact OG1-OE2 3.18Å; E20-Q24 WeakPolarHBondContact O-CG 3.42Å; E20-Q24 PolarHBondContact O-N 3.13Å; E20-Q24 PolarHBondContact O-NE2 3.13Å
21	E	75.5	Confident	73.5	Confident	90 Å²	90	82.5 Å²	82.5	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-45.6	172.3	-66	-178.6	130.9	0	0	110.7	F17 T18 Q23 Q24 L25	F17-E21 HydrophobicContact CB-CB 4.35Å; F17-E21 HydrophobicContact CD1-CB 3.78Å; F17-E21 HydrophobicContact CG-CB 4.49Å; T18-E21 HydrophobicContact CG2-CG 4.47Å; T18-E21 PolarHBondContact N-OE2 3.3Å; T18-E21 PolarHBondContact OG1-N 2.86Å; E21-Q23 VanDerWaalsContact C-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.4Å; E21-Q24 WeakPolarHBondContact O-CB 3.27Å; E21-Q24 PolarHBondContact O-N 3.17Å; E21-L25 PolarHBondContact O-N 3.38Å
22	W	78.6	Confident	73.9	Confident	9 Å²	9	78.5 Å²	78.5	3%	0.034	41%	0.41	C	S	.	.	H	α-helix	trans	-62.7	-35.9	-178.6	-173.4	-95.6	0	0	0	112.8	F17 T18 Q19 Q24 L25 K30 Y33 E65 P66 W67	F17-W22 HydrophobicContact CB-CB 4.34Å; F17-W22 HydrophobicContact CB-CE3 4.2Å; F17-W22 AromaticContact CD2-CE3 3.67Å; F17-W22 HydrophobicContact CD2-CE3 3.67Å; F17-W22 AromaticContact CD2-CZ3 3.92Å; F17-W22 HydrophobicContact CD2-CZ3 3.92Å; F17-W22 HydrophobicContact CE2-CE3 4.38Å; F17-W22 HydrophobicContact CE2-CZ3 4.34Å; F17-W22 HydrophobicContact CG-CE3 4.24Å; T18-W22 VanDerWaalsContact O-CB 3.25Å; T18-W22 WeakPolarHBondContact O-CB 3.45Å; T18-W22 PolarHBondContact O-N 3.5Å; Q19-W22 PolarHBondContact O-N 3.13Å; W22-Q24 VanDerWaalsContact C-N 3.27Å; W22-Q24 PolarHBondContact O-N 3.02Å; W22-L25 HydrophobicContact CD2-CD1 4.23Å; W22-L25 HydrophobicContact CE3-CD1 3.56Å; W22-L25 HydrophobicContact CZ3-CD1 3.76Å; W22-L25 PolarHBondContact O-N 3.48Å; W22-K30 HydrophobicContact CH2-CB 4.13Å; W22-K30 HydrophobicContact CH2-CG 4.05Å; W22-K30 HydrophobicContact CZ2-CB 3.95Å; W22-K30 HydrophobicContact CZ2-CD 3.88Å; W22-K30 HydrophobicContact CZ2-CG 3.68Å; W22-K30 WeakPolarHBondContact O-CE 3.37Å; W22-K30 PolarHBondContact O-NZ 3.13Å; W22-Y33 AromaticContact CH2-CD1 3.39Å; W22-Y33 HydrophobicContact CH2-CD1 3.39Å; W22-Y33 AromaticContact CH2-CE1 3.9Å; W22-Y33 HydrophobicContact CH2-CE1 3.9Å; W22-Y33 AromaticContact CH2-CG 3.88Å; W22-Y33 HydrophobicContact CH2-CG 3.88Å; W22-Y33 AromaticContact CZ3-CD1 3.34Å; W22-Y33 HydrophobicContact CZ3-CD1 3.34Å; W22-Y33 HydrophobicContact CZ3-CD2 4.05Å; W22-Y33 AromaticContact CZ3-CE1 3.61Å; W22-Y33 HydrophobicContact CZ3-CE1 3.61Å; W22-Y33 HydrophobicContact CZ3-CE2 4.24Å; W22-Y33 AromaticContact CZ3-CG 3.54Å; W22-Y33 HydrophobicContact CZ3-CG 3.54Å; W22-E65 VanDerWaalsContact NE1-CD 3.27Å; W22-E65 PolarHBondContact NE1-OE1 3.18Å; W22-P66 HydrophobicContact CD2-CG 4.02Å; W22-P66 VanDerWaalsContact CE2-CD 3.4Å; W22-P66 HydrophobicContact CE3-CG 3.88Å; W22-P66 HydrophobicContact CH2-CG 3.78Å; W22-P66 VanDerWaalsContact CZ2-CD 3.5Å; W22-P66 HydrophobicContact CZ2-CG 3.88Å; W22-P66 HydrophobicContact CZ3-CG 3.77Å; W22-W67 HydrophobicContact CB-CE3 4.14Å; W22-W67 AromaticContact CD1-CE3 3.43Å; W22-W67 VanDerWaalsContact CD1-CE3 3.43Å; W22-W67 AromaticContact CD1-CZ3 3.42Å; W22-W67 VanDerWaalsContact CD1-CZ3 3.42Å; W22-W67 AromaticContact CG-CE3 3.82Å; W22-W67 HydrophobicContact CG-CE3 3.82Å; W22-W67 HydrophobicContact CG-CZ3 4.24Å; W22-W67 AromaticContact NE1-CZ3 3.96Å
23	Q	72.1	Confident	74.5	Confident	101 Å²	101	74.1 Å²	74.1	47%	0.472	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.1	174.7	-62.4	-55.6	-16.5	0	0	114.3	Q19 E21 E65	Q19-Q23 WeakPolarHBondContact O-CG 3.46Å; Q19-Q23 PolarHBondContact O-N 2.92Å; E21-Q23 VanDerWaalsContact C-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.4Å; Q23-E65 PolarHBondContact NE2-OE2 3.29Å
24	Q	74.5	Confident	74.8	Confident	158 Å²	158	76.3 Å²	76.3	74%	0.738	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-16.2	171	-74.5	170.2	76.1	0	0	113.5	E20 E21 W22	E20-Q24 WeakPolarHBondContact O-CG 3.42Å; E20-Q24 PolarHBondContact O-N 3.13Å; E20-Q24 PolarHBondContact O-NE2 3.13Å; E21-Q24 WeakPolarHBondContact O-CB 3.27Å; E21-Q24 PolarHBondContact O-N 3.17Å; W22-Q24 VanDerWaalsContact C-N 3.27Å; W22-Q24 PolarHBondContact O-N 3.02Å
25	L	77.4	Confident	75	Confident	33 Å²	33	80.3 Å²	80.3	17%	0.173	41%	0.407	C	S	.	.	S	Bend	trans	-71	136	176.3	-61.5	178.5	0	0	0	111.7	F17 E21 W22 E29 K30	F17-L25 HydrophobicContact CD2-CD1 3.97Å; F17-L25 HydrophobicContact CE1-CD1 4.43Å; F17-L25 HydrophobicContact CE1-CD2 4.45Å; F17-L25 HydrophobicContact CE2-CD1 3.6Å; F17-L25 HydrophobicContact CZ-CD1 3.86Å; F17-L25 HydrophobicContact CZ-CD2 4.12Å; E21-L25 PolarHBondContact O-N 3.38Å; W22-L25 HydrophobicContact CD2-CD1 4.23Å; W22-L25 HydrophobicContact CE3-CD1 3.56Å; W22-L25 HydrophobicContact CZ3-CD1 3.76Å; W22-L25 PolarHBondContact O-N 3.48Å; L25-E29 HydrophobicContact CB-CB 4.17Å; L25-E29 HydrophobicContact CD2-CB 4.36Å; L25-K30 HydrophobicContact CB-CG 3.83Å; L25-K30 HydrophobicContact CD1-CG 4.42Å
26	D	78.5	Confident	75.4	Confident	78 Å²	78	79.2 Å²	79.2	42%	0.417	40%	0.4	S	S	.	.			trans	-72.5	165.8	173.5	86.5	34.8	0	0	0	112.2	D28 E29 K30	D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 3.35Å; D26-D28 WeakPolarHBondContact OD1-CA 3.26Å; D26-D28 WeakPolarHBondContact OD1-CB 3.47Å; D26-D28 PolarHBondContact OD1-N 2.88Å; D26-E29 PolarHBondContact N-OE2 2.87Å; D26-E29 PolarHBondContact O-N 3.12Å; D26-E29 VanDerWaalsContact O-N 3.17Å; D26-E29 PolarHBondContact OD1-N 3.13Å; D26-K30 PolarHBondContact O-N 3.21Å
27	P	69.2	Low	75.8	Confident	98 Å²	98	76.1 Å²	76.1	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-60.5	-34.7	-178.1	-25.9	36.2	0	0	0	114.7	I31	P27-I31 WeakPolarHBondContact O-CB 3.35Å; P27-I31 WeakPolarHBondContact O-CD1 3.45Å; P27-I31 WeakPolarHBondContact O-CG1 3.44Å; P27-I31 PolarHBondContact O-N 3.33Å
28	D	71.6	Confident	76	Confident	119 Å²	119	75.9 Å²	75.9	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-73.4	-32.7	177.1	-78.3	-12.6	0	0	0	110.6	D26 T32	D26-D28 VanDerWaalsContact C-N 3.32Å; D26-D28 PolarHBondContact O-N 3.35Å; D26-D28 WeakPolarHBondContact OD1-CA 3.26Å; D26-D28 WeakPolarHBondContact OD1-CB 3.47Å; D26-D28 PolarHBondContact OD1-N 2.88Å; D28-T32 VanDerWaalsContact O-CB 3.29Å; D28-T32 WeakPolarHBondContact O-CB 3.16Å; D28-T32 PolarHBondContact O-N 3.37Å; D28-T32 PolarHBondContact O-OG1 3.23Å
29	E	73.1	Confident	76.5	Confident	98 Å²	98	78.6 Å²	78.6	46%	0.458	39%	0.394	S	S	.	.	H	α-helix	trans	-68.4	-44	171.5	-68.5	-172.7	133.7	0	0	112.3	L25 D26 I31 T32 Y33	L25-E29 HydrophobicContact CB-CB 4.17Å; L25-E29 HydrophobicContact CD2-CB 4.36Å; D26-E29 PolarHBondContact N-OE2 2.87Å; D26-E29 PolarHBondContact O-N 3.12Å; D26-E29 VanDerWaalsContact O-N 3.17Å; D26-E29 PolarHBondContact OD1-N 3.13Å; E29-I31 VanDerWaalsContact C-N 3.34Å; E29-I31 PolarHBondContact O-N 3.48Å; E29-T32 PolarHBondContact O-N 3.4Å; E29-Y33 PolarHBondContact O-N 3.39Å
30	K	79.7	Confident	77.2	Confident	40 Å²	40	76.2 Å²	76.2	17%	0.174	38%	0.384	C	S	.	.	H	α-helix	trans	-61	-40.1	173.5	-71.7	-172.7	175.1	-172.3	0	112	W22 L25 D26 R34 E65	W22-K30 HydrophobicContact CH2-CB 4.13Å; W22-K30 HydrophobicContact CH2-CG 4.05Å; W22-K30 HydrophobicContact CZ2-CB 3.95Å; W22-K30 HydrophobicContact CZ2-CD 3.88Å; W22-K30 HydrophobicContact CZ2-CG 3.68Å; W22-K30 WeakPolarHBondContact O-CE 3.37Å; W22-K30 PolarHBondContact O-NZ 3.13Å; L25-K30 HydrophobicContact CB-CG 3.83Å; L25-K30 HydrophobicContact CD1-CG 4.42Å; D26-K30 PolarHBondContact O-N 3.21Å; K30-R34 PolarHBondContact O-N 2.9Å; K30-R34 VanDerWaalsContact O-N 3.11Å; K30-E65 IonicContact NZ-OE1 3.46Å; K30-E65 PolarHBondContact NZ-OE1 3.48Å
31	I	72.7	Confident	77.7	Confident	93 Å²	93	72.3 Å²	72.3	48%	0.477	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-45.8	172.4	-70.1	164.1	0	0	0	110.8	P27 E29 Y33 R34 D35	P27-I31 WeakPolarHBondContact O-CB 3.35Å; P27-I31 WeakPolarHBondContact O-CD1 3.45Å; P27-I31 WeakPolarHBondContact O-CG1 3.44Å; P27-I31 PolarHBondContact O-N 3.33Å; E29-I31 VanDerWaalsContact C-N 3.34Å; E29-I31 PolarHBondContact O-N 3.48Å; I31-Y33 VanDerWaalsContact C-N 3.28Å; I31-Y33 PolarHBondContact O-N 3.42Å; I31-R34 WeakPolarHBondContact O-CB 3.33Å; I31-R34 PolarHBondContact O-N 3.04Å; I31-R34 VanDerWaalsContact O-N 3.14Å; I31-D35 PolarHBondContact O-N 3.19Å
32	T	79.6	Confident	77.8	Confident	84 Å²	84	71.1 Å²	71.1	52%	0.515	37%	0.366	S	S	.	.	H	α-helix	trans	-60	-39.2	178.4	-61.7	0	0	0	0	111.6	D28 E29 V36	D28-T32 VanDerWaalsContact O-CB 3.29Å; D28-T32 WeakPolarHBondContact O-CB 3.16Å; D28-T32 PolarHBondContact O-N 3.37Å; D28-T32 PolarHBondContact O-OG1 3.23Å; E29-T32 PolarHBondContact O-N 3.4Å; T32-V36 HydrophobicContact CG2-CG2 4.4Å; T32-V36 WeakPolarHBondContact O-CB 3.28Å; T32-V36 VanDerWaalsContact O-CG2 3.24Å; T32-V36 WeakPolarHBondContact O-CG2 3.22Å; T32-V36 PolarHBondContact O-N 3.42Å
33	Y	85.5	Confident	77.7	Confident	18 Å²	18	75.6 Å²	75.6	7%	0.071	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-48	173.5	176.1	-91.5	0	0	0	112.2	V15 F17 W22 E29 I31 D35 V36 M37 L60 P66	V15-Y33 WeakPolarHBondContact O-CE2 3.24Å; V15-Y33 PolarHBondContact O-OH 2.85Å; F17-Y33 AromaticContact CD2-CD2 3.82Å; F17-Y33 HydrophobicContact CD2-CD2 3.82Å; F17-Y33 AromaticContact CD2-CE2 3.5Å; F17-Y33 HydrophobicContact CD2-CE2 3.5Å; F17-Y33 AromaticContact CE2-CD2 3.47Å; F17-Y33 HydrophobicContact CE2-CD2 3.47Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.47Å; F17-Y33 AromaticContact CE2-CE2 3.61Å; F17-Y33 HydrophobicContact CE2-CE2 3.61Å; F17-Y33 HydrophobicContact CE2-CG 4.37Å; W22-Y33 AromaticContact CH2-CD1 3.39Å; W22-Y33 HydrophobicContact CH2-CD1 3.39Å; W22-Y33 AromaticContact CH2-CE1 3.9Å; W22-Y33 HydrophobicContact CH2-CE1 3.9Å; W22-Y33 AromaticContact CH2-CG 3.88Å; W22-Y33 HydrophobicContact CH2-CG 3.88Å; W22-Y33 AromaticContact CZ3-CD1 3.34Å; W22-Y33 HydrophobicContact CZ3-CD1 3.34Å; W22-Y33 HydrophobicContact CZ3-CD2 4.05Å; W22-Y33 AromaticContact CZ3-CE1 3.61Å; W22-Y33 HydrophobicContact CZ3-CE1 3.61Å; W22-Y33 HydrophobicContact CZ3-CE2 4.24Å; W22-Y33 AromaticContact CZ3-CG 3.54Å; W22-Y33 HydrophobicContact CZ3-CG 3.54Å; E29-Y33 PolarHBondContact O-N 3.39Å; I31-Y33 VanDerWaalsContact C-N 3.28Å; I31-Y33 PolarHBondContact O-N 3.42Å; Y33-D35 VanDerWaalsContact C-N 3.34Å; Y33-D35 PolarHBondContact O-N 3.26Å; Y33-V36 PolarHBondContact O-N 3.43Å; Y33-M37 HydrophobicContact CD1-CG 4.13Å; Y33-M37 HydrophobicContact CD2-CE 3.87Å; Y33-M37 HydrophobicContact CD2-CG 4.18Å; Y33-M37 HydrophobicContact CE1-CG 3.84Å; Y33-M37 HydrophobicContact CE2-CE 3.56Å; Y33-M37 HydrophobicContact CE2-CG 3.93Å; Y33-M37 HydrophobicContact CE2-SD 4.48Å; Y33-M37 HydrophobicContact CG-CG 4.32Å; Y33-M37 WeakPolarHBondContact O-CG 3.27Å; Y33-M37 PolarHBondContact O-N 2.82Å; Y33-L60 HydrophobicContact CD1-CD1 4.26Å; Y33-L60 HydrophobicContact CD1-CD2 4.16Å; Y33-L60 HydrophobicContact CE1-CD1 3.85Å; Y33-L60 HydrophobicContact CE1-CD2 4.12Å; Y33-P66 HydrophobicContact CE1-CB 4.16Å; Y33-P66 HydrophobicContact CE1-CG 3.72Å
34	R	79.1	Confident	77.6	Confident	94 Å²	94	71.5 Å²	71.5	36%	0.355	37%	0.368	S	S	.	.	H	α-helix	trans	-54.5	-51.6	177.4	-175.5	-177.3	-165.7	-175.2	6.1	110.6	K30 I31 V36 M37 L38 L60 E61	K30-R34 PolarHBondContact O-N 2.9Å; K30-R34 VanDerWaalsContact O-N 3.11Å; I31-R34 WeakPolarHBondContact O-CB 3.33Å; I31-R34 PolarHBondContact O-N 3.04Å; I31-R34 VanDerWaalsContact O-N 3.14Å; R34-V36 PolarHBondContact O-N 3.18Å; R34-M37 PolarHBondContact O-N 3.31Å; R34-L38 HydrophobicContact CG-CD1 3.98Å; R34-L38 WeakPolarHBondContact O-CB 3.41Å; R34-L38 WeakPolarHBondContact O-CG 3.5Å; R34-L38 PolarHBondContact O-N 3.08Å; R34-L60 HydrophobicContact CB-CD2 4.16Å; R34-L60 HydrophobicContact CG-CB 4.35Å; R34-L60 HydrophobicContact CG-CD2 4.12Å; R34-L60 PolarHBondContact NE-O 3.46Å; R34-L60 PolarHBondContact NH2-O 2.83Å; R34-E61 PolarHBondContact NH2-O 3.33Å; R34-E61 VanDerWaalsContact NH2-O 3.11Å
35	D	78.5	Confident	77.5	Confident	102 Å²	102	67.2 Å²	67.2	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-60.8	-45.3	179	-77.6	-2.5	0	0	0	111.9	I31 Y33 E39	I31-D35 PolarHBondContact O-N 3.19Å; Y33-D35 VanDerWaalsContact C-N 3.34Å; Y33-D35 PolarHBondContact O-N 3.26Å; D35-E39 VanDerWaalsContact O-CB 3.23Å; D35-E39 WeakPolarHBondContact O-CB 3.28Å; D35-E39 PolarHBondContact O-N 3.38Å
36	V	82.8	Confident	77.1	Confident	57 Å²	57	70.1 Å²	70.1	35%	0.345	38%	0.375	S	S	.	.	H	α-helix	trans	-66.4	-40.2	-179.7	167.5	0	0	0	0	112.4	T32 Y33 R34 E39 N40	T32-V36 HydrophobicContact CG2-CG2 4.4Å; T32-V36 WeakPolarHBondContact O-CB 3.28Å; T32-V36 VanDerWaalsContact O-CG2 3.24Å; T32-V36 WeakPolarHBondContact O-CG2 3.22Å; T32-V36 PolarHBondContact O-N 3.42Å; Y33-V36 PolarHBondContact O-N 3.43Å; R34-V36 PolarHBondContact O-N 3.18Å; V36-E39 PolarHBondContact O-N 2.94Å; V36-N40 WeakPolarHBondContact O-CB 3.48Å; V36-N40 PolarHBondContact O-N 3.42Å
37	M	82.9	Confident	76.8	Confident	5 Å²	5	71.4 Å²	71.4	3%	0.025	39%	0.386	C	S	.	.	H	α-helix	trans	-71.6	-39.5	179.3	-67.1	-53.9	154.4	0	0	112	F10 V15 Y33 R34 N40 Y41 I57 L60	F10-M37 HydrophobicContact CZ-SD 4.45Å; V15-M37 HydrophobicContact CB-CE 3.68Å; V15-M37 HydrophobicContact CG2-CE 4.07Å; Y33-M37 HydrophobicContact CD1-CG 4.13Å; Y33-M37 HydrophobicContact CD2-CE 3.87Å; Y33-M37 HydrophobicContact CD2-CG 4.18Å; Y33-M37 HydrophobicContact CE1-CG 3.84Å; Y33-M37 HydrophobicContact CE2-CE 3.56Å; Y33-M37 HydrophobicContact CE2-CG 3.93Å; Y33-M37 HydrophobicContact CE2-SD 4.48Å; Y33-M37 HydrophobicContact CG-CG 4.32Å; Y33-M37 WeakPolarHBondContact O-CG 3.27Å; Y33-M37 PolarHBondContact O-N 2.82Å; R34-M37 PolarHBondContact O-N 3.31Å; M37-N40 PolarHBondContact O-N 3.02Å; M37-Y41 WeakPolarHBondContact O-CB 3.49Å; M37-Y41 PolarHBondContact O-N 3.22Å; M37-I57 HydrophobicContact CB-CD1 4.04Å; M37-I57 VanDerWaalsContact O-CD1 3.27Å; M37-I57 WeakPolarHBondContact O-CD1 3.49Å; M37-L60 HydrophobicContact CB-CD1 3.65Å; M37-L60 HydrophobicContact CG-CD1 4.22Å
38	L	78.6	Confident	76.2	Confident	45 Å²	45	69.9 Å²	69.9	24%	0.236	39%	0.388	C	S	.	.	H	α-helix	trans	-65.2	-39.4	172.7	-64.5	175.7	0	0	0	111.5	R34 S42 I57 L60 E61	R34-L38 HydrophobicContact CG-CD1 3.98Å; R34-L38 WeakPolarHBondContact O-CB 3.41Å; R34-L38 WeakPolarHBondContact O-CG 3.5Å; R34-L38 PolarHBondContact O-N 3.08Å; L38-S42 WeakPolarHBondContact O-CB 3.41Å; L38-S42 PolarHBondContact O-N 2.81Å; L38-I57 HydrophobicContact CD2-CD1 4.24Å; L38-I57 HydrophobicContact CD2-CG2 4.03Å; L38-L60 HydrophobicContact CD2-CB 4.4Å; L38-E61 HydrophobicContact CD2-CG 3.77Å
39	E	81.8	Confident	75.9	Confident	113 Å²	113	68.2 Å²	68.2	53%	0.528	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-42.2	173.5	-178.2	166.9	-143.9	0	0	111.8	D35 V36 S42 H43	D35-E39 VanDerWaalsContact O-CB 3.23Å; D35-E39 WeakPolarHBondContact O-CB 3.28Å; D35-E39 PolarHBondContact O-N 3.38Å; V36-E39 PolarHBondContact O-N 2.94Å; E39-S42 PolarHBondContact O-N 3.34Å; E39-H43 WeakPolarHBondContact CG-CE1 3.21Å; E39-H43 WeakPolarHBondContact CG-ND1 3.4Å; E39-H43 WeakPolarHBondContact O-CB 3.41Å; E39-H43 PolarHBondContact O-N 3.01Å; E39-H43 PolarHBondContact O-ND1 3.28Å; E39-H43 IonicContact OE1-CE1 3.88Å; E39-H43 PolarHBondContact OE1-CE1 3.43Å
40	N	81	Confident	75	Confident	44 Å²	44	71.9 Å²	71.9	24%	0.235	40%	0.396	C	S	.	.	H	α-helix	trans	-64.5	-44.2	176.8	-76.9	-7.2	0	0	0	112.4	V13 V36 M37 H43 L44	V13-N40 HydrophobicContact CG2-CB 4.31Å; V13-N40 PolarHBondContact O-ND2 3.05Å; V36-N40 WeakPolarHBondContact O-CB 3.48Å; V36-N40 PolarHBondContact O-N 3.42Å; M37-N40 PolarHBondContact O-N 3.02Å; N40-H43 PolarHBondContact O-N 2.88Å; N40-L44 PolarHBondContact O-N 3.04Å
41	Y	79.6	Confident	74.2	Confident	40 Å²	40	71.8 Å²	71.8	16%	0.157	40%	0.397	C	S	.	.	H	α-helix	trans	-62.3	-47.6	174.4	176.3	-105.1	0	0	0	111.5	F10 M37 H43 L44 V45 I51 K53 P54 I57	F10-Y41 HydrophobicContact CD2-CD2 4.27Å; M37-Y41 WeakPolarHBondContact O-CB 3.49Å; M37-Y41 PolarHBondContact O-N 3.22Å; Y41-H43 VanDerWaalsContact C-N 3.27Å; Y41-H43 PolarHBondContact O-N 2.71Å; Y41-L44 PolarHBondContact O-N 3.08Å; Y41-V45 HydrophobicContact CD1-CG2 4.47Å; Y41-V45 HydrophobicContact CD2-CG2 4.33Å; Y41-V45 HydrophobicContact CE1-CG2 4.01Å; Y41-V45 HydrophobicContact CE2-CG2 3.85Å; Y41-V45 WeakPolarHBondContact O-CG2 3.45Å; Y41-V45 PolarHBondContact O-N 3.39Å; Y41-I51 HydrophobicContact CE2-CG2 4.22Å; Y41-K53 HydrophobicContact CE1-CG 4.3Å; Y41-K53 HydrophobicContact CE2-CG 4.36Å; Y41-P54 HydrophobicContact CD2-CG 4.33Å; Y41-P54 VanDerWaalsContact CE2-CD 3.48Å; Y41-P54 HydrophobicContact CE2-CG 4.49Å; Y41-I57 HydrophobicContact CD1-CG2 3.8Å; Y41-I57 HydrophobicContact CD2-CG1 4.18Å; Y41-I57 HydrophobicContact CE1-CG2 4.2Å; Y41-I57 HydrophobicContact CG-CD1 4.28Å; Y41-I57 HydrophobicContact CG-CG1 3.99Å; Y41-I57 HydrophobicContact CG-CG2 3.98Å
42	S	76.8	Confident	73.8	Confident	65 Å²	65	73.8 Å²	73.8	46%	0.455	41%	0.414	S	S	.	.	H	α-helix	trans	-58.2	-39.4	176.8	-173.2	0	0	0	0	112.1	L38 E39 S46	L38-S42 WeakPolarHBondContact O-CB 3.41Å; L38-S42 PolarHBondContact O-N 2.81Å; E39-S42 PolarHBondContact O-N 3.34Å; S42-S46 WeakPolarHBondContact O-CB 3.33Å; S42-S46 PolarHBondContact O-N 3.13Å; S42-S46 PolarHBondContact O-OG 2.82Å
43	H	75.8	Confident	73.6	Confident	102 Å²	102	73.5 Å²	73.5	47%	0.472	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-44.4	174.7	-77.8	130.5	0	0	0	113.3	E39 N40 Y41 S46 V47	E39-H43 WeakPolarHBondContact CG-CE1 3.21Å; E39-H43 WeakPolarHBondContact CG-ND1 3.4Å; E39-H43 WeakPolarHBondContact O-CB 3.41Å; E39-H43 PolarHBondContact O-N 3.01Å; E39-H43 PolarHBondContact O-ND1 3.28Å; E39-H43 IonicContact OE1-CE1 3.88Å; E39-H43 PolarHBondContact OE1-CE1 3.43Å; N40-H43 PolarHBondContact O-N 2.88Å; Y41-H43 VanDerWaalsContact C-N 3.27Å; Y41-H43 PolarHBondContact O-N 2.71Å; H43-S46 CarbonylContact O-C 3.54Å; H43-S46 PolarHBondContact O-N 3.34Å; H43-V47 WeakPolarHBondContact O-CG2 3.37Å; H43-V47 PolarHBondContact O-N 2.83Å
44	L	71.9	Confident	73.2	Confident	16 Å²	16	73.8 Å²	73.8	8%	0.084	41%	0.41	C	S	.	.	H	α-helix	trans	-64.3	-43.3	178.5	-74.9	177	0	0	0	112.4	V8 F10 V13 N40 Y41 S46 V47 G48 Y49 I51	V8-L44 HydrophobicContact CG1-CD2 4.4Å; F10-L44 HydrophobicContact CB-CD1 4.19Å; F10-L44 HydrophobicContact CD2-CD1 4.21Å; V13-L44 HydrophobicContact CG2-CD1 3.53Å; V13-L44 HydrophobicContact CG2-CG 4.24Å; N40-L44 PolarHBondContact O-N 3.04Å; Y41-L44 PolarHBondContact O-N 3.08Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.27Å; L44-V47 PolarHBondContact O-N 3.37Å; L44-V47 VanDerWaalsContact O-N 3.16Å; L44-G48 PolarHBondContact O-N 3.23Å; L44-Y49 HydrophobicContact CD2-CD2 3.95Å; L44-Y49 HydrophobicContact CD2-CE2 4.25Å; L44-Y49 PolarHBondContact O-N 2.87Å; L44-I51 HydrophobicContact CB-CD1 3.72Å; L44-I51 HydrophobicContact CD1-CD1 3.77Å; L44-I51 HydrophobicContact CG-CD1 4.31Å
45	V	71.9	Confident	72.9	Confident	68 Å²	68	75.5 Å²	75.5	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-62.1	-38.9	173	176.4	0	0	0	0	110.8	Y41 V47 G48	Y41-V45 HydrophobicContact CD1-CG2 4.47Å; Y41-V45 HydrophobicContact CD2-CG2 4.33Å; Y41-V45 HydrophobicContact CE1-CG2 4.01Å; Y41-V45 HydrophobicContact CE2-CG2 3.85Å; Y41-V45 WeakPolarHBondContact O-CG2 3.45Å; Y41-V45 PolarHBondContact O-N 3.39Å; V45-V47 PolarHBondContact O-N 2.82Å; V45-G48 PolarHBondContact O-N 3.25Å
46	S	68.9	Low	72.7	Confident	93 Å²	93	71.4 Å²	71.4	65%	0.65	40%	0.404	S	S	*	.	H	α-helix	trans	-68.6	-18.3	176.8	-62.3	0	0	0	0	114.4	S42 H43 L44 G48	S42-S46 WeakPolarHBondContact O-CB 3.33Å; S42-S46 PolarHBondContact O-N 3.13Å; S42-S46 PolarHBondContact O-OG 2.82Å; H43-S46 CarbonylContact O-C 3.54Å; H43-S46 PolarHBondContact O-N 3.34Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.27Å; S46-G48 VanDerWaalsContact C-N 3.32Å
47	V	70.9	Confident	72.6	Confident	106 Å²	106	68.7 Å²	68.7	64%	0.642	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-5.2	172.7	173.8	0	0	0	0	111.6	H43 L44 V45 Y49	H43-V47 WeakPolarHBondContact O-CG2 3.37Å; H43-V47 PolarHBondContact O-N 2.83Å; L44-V47 PolarHBondContact O-N 3.37Å; L44-V47 VanDerWaalsContact O-N 3.16Å; V45-V47 PolarHBondContact O-N 2.82Å; V47-Y49 HydrophobicContact CB-CD2 4.13Å; V47-Y49 HydrophobicContact CB-CE2 4.23Å; V47-Y49 HydrophobicContact CG1-CD2 3.91Å; V47-Y49 HydrophobicContact CG1-CE2 3.55Å
48	G	57.2	Low	72.3	Confident	66 Å²	66	71.2 Å²	71.2	68%	0.68	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	17.8	176	0	0	0	0	0	114.4	L44 V45 S46	L44-G48 PolarHBondContact O-N 3.23Å; V45-G48 PolarHBondContact O-N 3.25Å; S46-G48 VanDerWaalsContact C-N 3.32Å
49	Y	66.3	Low	72.1	Confident	83 Å²	83	72.1 Å²	72.1	33%	0.325	40%	0.403	S	S	.	.			trans	-77.3	120.9	169.4	-68	-69.9	0	0	0	110.1	P7 L44 V47 I51	P7-Y49 HydrophobicContact CB-CD1 4.31Å; P7-Y49 HydrophobicContact CB-CE1 3.77Å; L44-Y49 HydrophobicContact CD2-CD2 3.95Å; L44-Y49 HydrophobicContact CD2-CE2 4.25Å; L44-Y49 PolarHBondContact O-N 2.87Å; V47-Y49 HydrophobicContact CB-CD2 4.13Å; V47-Y49 HydrophobicContact CB-CE2 4.23Å; V47-Y49 HydrophobicContact CG1-CD2 3.91Å; V47-Y49 HydrophobicContact CG1-CE2 3.55Å; Y49-I51 VanDerWaalsContact C-N 3.35Å; Y49-I51 PolarHBondContact O-N 2.99Å
50	D	54.7	Low	71.9	Confident	176 Å²	176	67 Å²	67	94%	0.941	38%	0.38	S	S	*	.			trans	-79.4	83.2	179	-155.3	1.6	0	0	0	109.8
51	I	62.4	Low	71.7	Confident	37 Å²	37	69.6 Å²	69.6	19%	0.19	39%	0.39	C	S	.	.			trans	-103.1	119.4	-172.9	-64.7	175.5	0	0	0	109.3	F10 Y41 L44 Y49 K53 P54	F10-I51 HydrophobicContact CB-CG2 4.42Å; Y41-I51 HydrophobicContact CE2-CG2 4.22Å; L44-I51 HydrophobicContact CB-CD1 3.72Å; L44-I51 HydrophobicContact CD1-CD1 3.77Å; L44-I51 HydrophobicContact CG-CD1 4.31Å; Y49-I51 VanDerWaalsContact C-N 3.35Å; Y49-I51 PolarHBondContact O-N 2.99Å; I51-K53 PolarHBondContact O-N 2.99Å; I51-P54 HydrophobicContact CG2-CG 4.37Å
52	T	63.4	Low	71.1	Confident	136 Å²	136	74 Å²	74	83%	0.834	41%	0.412	S	S	*	.			trans	-59.4	124.6	166.6	43.6	0	0	0	0	109.6	P54	T52-P54 VanDerWaalsContact O-CD 3.29Å; T52-P54 WeakPolarHBondContact O-CD 3.27Å; T52-P54 VanDerWaalsContact O-N 3.11Å
53	K	75.6	Confident	70.5	Confident	78 Å²	78	73.3 Å²	73.3	34%	0.339	42%	0.415	S	S	.	.			trans	-55.1	115.1	-168.1	-167.6	173.5	-171.8	170.1	0	111.4	Y41 I51 I57 I58 E61	Y41-K53 HydrophobicContact CE1-CG 4.3Å; Y41-K53 HydrophobicContact CE2-CG 4.36Å; I51-K53 PolarHBondContact O-N 2.99Å; K53-I57 HydrophobicContact CG-CB 4.48Å; K53-I57 HydrophobicContact CG-CG2 4.08Å; K53-I58 HydrophobicContact CB-CD1 4.44Å; K53-I58 HydrophobicContact CB-CG1 4.42Å; K53-I58 HydrophobicContact CD-CG1 3.94Å; K53-I58 HydrophobicContact CG-CD1 4.43Å; K53-I58 HydrophobicContact CG-CG1 3.88Å; K53-E61 WeakPolarHBondContact CE-OE1 3.48Å; K53-E61 IonicContact NZ-OE1 3.36Å; K53-E61 PolarHBondContact NZ-OE1 3.49Å; K53-E61 IonicContact NZ-OE2 3.87Å; K53-E61 PolarHBondContact NZ-OE2 2.91Å
54	P	77.4	Confident	69.9	Low	24 Å²	24	73.4 Å²	73.4	16%	0.156	42%	0.416	C	S	.	.			trans	-63.4	143.6	-173.7	-23.2	32.4	0	0	0	112.5	F10 Y41 I51 T52 V56 I57 I58	F10-P54 HydrophobicContact CB-CG 3.94Å; F10-P54 HydrophobicContact CD1-CB 3.83Å; F10-P54 HydrophobicContact CD1-CG 3.48Å; F10-P54 VanDerWaalsContact CD1-CG 3.48Å; F10-P54 HydrophobicContact CD2-CG 4.18Å; F10-P54 HydrophobicContact CE1-CB 4.06Å; F10-P54 HydrophobicContact CE1-CG 4.03Å; F10-P54 HydrophobicContact CG-CB 4.42Å; F10-P54 HydrophobicContact CG-CG 3.58Å; Y41-P54 HydrophobicContact CD2-CG 4.33Å; Y41-P54 VanDerWaalsContact CE2-CD 3.48Å; Y41-P54 HydrophobicContact CE2-CG 4.49Å; I51-P54 HydrophobicContact CG2-CG 4.37Å; T52-P54 VanDerWaalsContact O-CD 3.29Å; T52-P54 WeakPolarHBondContact O-CD 3.27Å; T52-P54 VanDerWaalsContact O-N 3.11Å; P54-V56 PolarHBondContact O-N 3.48Å; P54-V56 VanDerWaalsContact O-N 3.16Å; P54-I57 HydrophobicContact CB-CB 4.49Å; P54-I57 HydrophobicContact CB-CG1 4.18Å; P54-I57 HydrophobicContact CG-CG1 4.16Å; P54-I57 WeakPolarHBondContact O-CA 3.29Å; P54-I57 WeakPolarHBondContact O-CB 3.34Å; P54-I57 PolarHBondContact O-N 3.39Å; P54-I58 PolarHBondContact O-N 3.41Å
55	N	72.6	Confident	69.6	Low	129 Å²	129	76.3 Å²	76.3	69%	0.69	43%	0.429	S	S	*	.	H	α-helix	trans	-56	-35.2	178.7	-71.1	-12	0	0	0	112.9	I57 I58 K59	N55-I57 VanDerWaalsContact C-N 3.33Å; N55-I57 PolarHBondContact O-N 3.05Å; N55-I58 PolarHBondContact O-N 3Å; N55-K59 WeakPolarHBondContact O-CG 3.47Å; N55-K59 PolarHBondContact O-N 3.46Å
56	V	74.1	Confident	69	Low	16 Å²	16	73.2 Å²	73.2	10%	0.097	41%	0.41	C	S	.	.	H	α-helix	trans	-57	-44.5	172.1	172.2	0	0	0	0	111.3	P54 L60 P66	P54-V56 PolarHBondContact O-N 3.48Å; P54-V56 VanDerWaalsContact O-N 3.16Å; V56-L60 HydrophobicContact CG1-CD1 3.84Å; V56-L60 HydrophobicContact CG1-CG 4.44Å; V56-L60 VanDerWaalsContact O-CB 3.3Å; V56-L60 WeakPolarHBondContact O-CB 3.49Å; V56-L60 WeakPolarHBondContact O-CG 3.41Å; V56-L60 PolarHBondContact O-N 3.04Å; V56-P66 HydrophobicContact CG1-CB 4.16Å
57	I	80.5	Confident	68.8	Low	0 Å²	0	72 Å²	72	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-70.3	-36.7	178.7	-63.3	-62.7	0	0	0	111.6	F10 M37 L38 Y41 K53 P54 N55 L60 E61	F10-I57 HydrophobicContact CE1-CG1 4.25Å; F10-I57 HydrophobicContact CE2-CD1 3.86Å; F10-I57 HydrophobicContact CE2-CG1 3.97Å; F10-I57 HydrophobicContact CZ-CD1 3.62Å; F10-I57 HydrophobicContact CZ-CG1 3.71Å; M37-I57 HydrophobicContact CB-CD1 4.04Å; M37-I57 VanDerWaalsContact O-CD1 3.27Å; M37-I57 WeakPolarHBondContact O-CD1 3.49Å; L38-I57 HydrophobicContact CD2-CD1 4.24Å; L38-I57 HydrophobicContact CD2-CG2 4.03Å; Y41-I57 HydrophobicContact CD1-CG2 3.8Å; Y41-I57 HydrophobicContact CD2-CG1 4.18Å; Y41-I57 HydrophobicContact CE1-CG2 4.2Å; Y41-I57 HydrophobicContact CG-CD1 4.28Å; Y41-I57 HydrophobicContact CG-CG1 3.99Å; Y41-I57 HydrophobicContact CG-CG2 3.98Å; K53-I57 HydrophobicContact CG-CB 4.48Å; K53-I57 HydrophobicContact CG-CG2 4.08Å; P54-I57 HydrophobicContact CB-CB 4.49Å; P54-I57 HydrophobicContact CB-CG1 4.18Å; P54-I57 HydrophobicContact CG-CG1 4.16Å; P54-I57 WeakPolarHBondContact O-CA 3.29Å; P54-I57 WeakPolarHBondContact O-CB 3.34Å; P54-I57 PolarHBondContact O-N 3.39Å; N55-I57 VanDerWaalsContact C-N 3.33Å; N55-I57 PolarHBondContact O-N 3.05Å; I57-L60 PolarHBondContact O-N 3.11Å; I57-E61 PolarHBondContact O-N 2.8Å
58	I	77.4	Confident	67.5	Low	58 Å²	58	71.2 Å²	71.2	30%	0.297	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-52.4	176.1	-64.8	171.5	0	0	0	110.3	K53 P54 N55 L60 E61 Q62	K53-I58 HydrophobicContact CB-CD1 4.44Å; K53-I58 HydrophobicContact CB-CG1 4.42Å; K53-I58 HydrophobicContact CD-CG1 3.94Å; K53-I58 HydrophobicContact CG-CD1 4.43Å; K53-I58 HydrophobicContact CG-CG1 3.88Å; P54-I58 PolarHBondContact O-N 3.41Å; N55-I58 PolarHBondContact O-N 3Å; I58-L60 PolarHBondContact O-N 3.42Å; I58-E61 PolarHBondContact O-N 3.48Å; I58-Q62 WeakPolarHBondContact O-CG 3.24Å; I58-Q62 PolarHBondContact O-N 3.44Å; I58-Q62 PolarHBondContact O-OE1 3.39Å
59	K	74	Confident	66.3	Low	65 Å²	65	76.5 Å²	76.5	28%	0.283	39%	0.392	S	S	.	.	H	α-helix	trans	-55.3	-49.7	174.1	-77.2	-179.9	155.6	-157.3	0	112.3	N55 E61 Q62 G63 E64 E65	N55-K59 WeakPolarHBondContact O-CG 3.47Å; N55-K59 PolarHBondContact O-N 3.46Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 2.88Å; K59-Q62 CarbonylContact O-C 3.54Å; K59-Q62 PolarHBondContact O-N 3.44Å; K59-Q62 VanDerWaalsContact O-N 3.11Å; K59-G63 PolarHBondContact O-N 2.81Å; K59-E64 HydrophobicContact CB-CB 4.02Å; K59-E64 HydrophobicContact CG-CB 4.16Å; K59-E64 PolarHBondContact O-N 3Å; K59-E65 WeakPolarHBondContact CD-O 3.3Å; K59-E65 PolarHBondContact NZ-O 3Å
60	L	77.7	Confident	64.8	Low	6 Å²	6	81.1 Å²	81.1	3%	0.031	42%	0.417	C	S	.	.	H	α-helix	trans	-64.1	-30.7	-179.7	-73.6	173.7	0	0	0	113.1	Y33 R34 M37 L38 V56 I57 I58 P66	Y33-L60 HydrophobicContact CD1-CD1 4.26Å; Y33-L60 HydrophobicContact CD1-CD2 4.16Å; Y33-L60 HydrophobicContact CE1-CD1 3.85Å; Y33-L60 HydrophobicContact CE1-CD2 4.12Å; R34-L60 HydrophobicContact CB-CD2 4.16Å; R34-L60 HydrophobicContact CG-CB 4.35Å; R34-L60 HydrophobicContact CG-CD2 4.12Å; R34-L60 PolarHBondContact NE-O 3.46Å; R34-L60 PolarHBondContact NH2-O 2.83Å; M37-L60 HydrophobicContact CB-CD1 3.65Å; M37-L60 HydrophobicContact CG-CD1 4.22Å; L38-L60 HydrophobicContact CD2-CB 4.4Å; V56-L60 HydrophobicContact CG1-CD1 3.84Å; V56-L60 HydrophobicContact CG1-CG 4.44Å; V56-L60 VanDerWaalsContact O-CB 3.3Å; V56-L60 WeakPolarHBondContact O-CB 3.49Å; V56-L60 WeakPolarHBondContact O-CG 3.41Å; V56-L60 PolarHBondContact O-N 3.04Å; I57-L60 PolarHBondContact O-N 3.11Å; I58-L60 PolarHBondContact O-N 3.42Å; L60-P66 HydrophobicContact CD2-CB 4.16Å; L60-P66 HydrophobicContact CD2-CG 4.38Å; L60-P66 HydrophobicContact CG-CB 4.27Å
61	E	77.2	Confident	63.6	Low	98 Å²	98	76.3 Å²	76.3	46%	0.458	41%	0.408	S	S	.	.	H	α-helix	trans	-70	-44.5	170.1	-78.7	-178.6	-160.1	0	0	111.6	R34 L38 K53 I57 I58 K59 G63	R34-E61 PolarHBondContact NH2-O 3.33Å; R34-E61 VanDerWaalsContact NH2-O 3.11Å; L38-E61 HydrophobicContact CD2-CG 3.77Å; K53-E61 WeakPolarHBondContact CE-OE1 3.48Å; K53-E61 IonicContact NZ-OE1 3.36Å; K53-E61 PolarHBondContact NZ-OE1 3.49Å; K53-E61 IonicContact NZ-OE2 3.87Å; K53-E61 PolarHBondContact NZ-OE2 2.91Å; I57-E61 PolarHBondContact O-N 2.8Å; I58-E61 PolarHBondContact O-N 3.48Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 2.88Å; E61-G63 PolarHBondContact O-N 3.31Å
62	Q	67.4	Low	61.9	Low	132 Å²	132	83.4 Å²	83.4	62%	0.617	44%	0.441	S	S	*	.	H	α-helix	trans	-67.2	-21	178.9	-70.2	168.3	-39.1	0	0	113.5	I58 K59 E64	I58-Q62 WeakPolarHBondContact O-CG 3.24Å; I58-Q62 PolarHBondContact O-N 3.44Å; I58-Q62 PolarHBondContact O-OE1 3.39Å; K59-Q62 CarbonylContact O-C 3.54Å; K59-Q62 PolarHBondContact O-N 3.44Å; K59-Q62 VanDerWaalsContact O-N 3.11Å; Q62-E64 HydrophobicContact CB-CG 4.32Å
63	G	62.8	Low	60.1	Low	50 Å²	50	86.6 Å²	86.6	52%	0.515	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	13.5	-177.9	0	0	0	0	0	114.1	K59 E61	K59-G63 PolarHBondContact O-N 2.81Å; E61-G63 PolarHBondContact O-N 3.31Å
64	E	64.1	Low	57.7	Low	105 Å²	105	88.3 Å²	88.3	49%	0.491	46%	0.462	S	S	.	.			trans	-85.8	151.6	176.9	-60.2	-176.7	-176.7	0	0	111.7	K59 Q62	K59-E64 HydrophobicContact CB-CB 4.02Å; K59-E64 HydrophobicContact CG-CB 4.16Å; K59-E64 PolarHBondContact O-N 3Å; Q62-E64 HydrophobicContact CB-CG 4.32Å
65	E	65.9	Low	55.1	Low	76 Å²	76	93.5 Å²	93.5	36%	0.355	50%	0.497	S	S	.	.			trans	-77.6	143.5	-178.8	-57.7	-161.2	110	0	0	112.6	W22 Q23 K30 K59 W67	W22-E65 VanDerWaalsContact NE1-CD 3.27Å; W22-E65 PolarHBondContact NE1-OE1 3.18Å; Q23-E65 PolarHBondContact NE2-OE2 3.29Å; K30-E65 IonicContact NZ-OE1 3.46Å; K30-E65 PolarHBondContact NZ-OE1 3.48Å; K59-E65 WeakPolarHBondContact CD-O 3.3Å; K59-E65 PolarHBondContact NZ-O 3Å; E65-W67 HydrophobicContact CB-CE3 3.79Å; E65-W67 HydrophobicContact CB-CH2 3.98Å; E65-W67 HydrophobicContact CB-CZ3 3.27Å; E65-W67 HydrophobicContact CG-CZ3 4.08Å; E65-W67 VanDerWaalsContact OE2-CZ3 3.3Å; E65-W67 WeakPolarHBondContact OE2-CZ3 3.23Å
66	P	59.2	Low	52.8	Low	4 Å²	4	95.8 Å²	95.8	3%	0.026	50%	0.504	C	S	.	.			trans	-99.7	-9	-148.7	37.5	-37.2	0	0	0	116.8	W22 Y33 V56 L60	W22-P66 HydrophobicContact CD2-CG 4.02Å; W22-P66 VanDerWaalsContact CE2-CD 3.4Å; W22-P66 HydrophobicContact CE3-CG 3.88Å; W22-P66 HydrophobicContact CH2-CG 3.78Å; W22-P66 VanDerWaalsContact CZ2-CD 3.5Å; W22-P66 HydrophobicContact CZ2-CG 3.88Å; W22-P66 HydrophobicContact CZ3-CG 3.77Å; Y33-P66 HydrophobicContact CE1-CB 4.16Å; Y33-P66 HydrophobicContact CE1-CG 3.72Å; V56-P66 HydrophobicContact CG1-CB 4.16Å; L60-P66 HydrophobicContact CD2-CB 4.16Å; L60-P66 HydrophobicContact CD2-CG 4.38Å; L60-P66 HydrophobicContact CG-CB 4.27Å
67	W	64.4	Low	50.4	Low	68 Å²	68	103.7 Å²	103.7	26%	0.258	54%	0.539	S	S	.	.			trans	-65.6	165.2	-161.7	64.4	85.5	0	0	0	115.7	F17 Q19 W22 E65	F17-W67 WeakPolarHBondContact O-CB 3.34Å; Q19-W67 HydrophobicContact CB-CD2 4.19Å; Q19-W67 HydrophobicContact CB-CG 4.08Å; Q19-W67 HydrophobicContact CG-CD2 4.11Å; Q19-W67 HydrophobicContact CG-CH2 4.43Å; Q19-W67 HydrophobicContact CG-CZ2 3.81Å; W22-W67 HydrophobicContact CB-CE3 4.14Å; W22-W67 AromaticContact CD1-CE3 3.43Å; W22-W67 VanDerWaalsContact CD1-CE3 3.43Å; W22-W67 AromaticContact CD1-CZ3 3.42Å; W22-W67 VanDerWaalsContact CD1-CZ3 3.42Å; W22-W67 AromaticContact CG-CE3 3.82Å; W22-W67 HydrophobicContact CG-CE3 3.82Å; W22-W67 HydrophobicContact CG-CZ3 4.24Å; W22-W67 AromaticContact NE1-CZ3 3.96Å; E65-W67 HydrophobicContact CB-CE3 3.79Å; E65-W67 HydrophobicContact CB-CH2 3.98Å; E65-W67 HydrophobicContact CB-CZ3 3.27Å; E65-W67 HydrophobicContact CG-CZ3 4.08Å; E65-W67 VanDerWaalsContact OE2-CZ3 3.3Å; E65-W67 WeakPolarHBondContact OE2-CZ3 3.23Å
68	I	42.7	Very low	47.7	Very low	88 Å²	88	108.6 Å²	108.6	45%	0.451	57%	0.574	S	S	.	*			trans	-113.8	150.4	-179.4	-58.9	175.9	0	0	0	108.9	D16	D16-I68 HydrophobicContact CB-CD1 4.29Å
69	M	32.7	Very low	45.6	Very low	177 Å²	177	111.1 Å²	111.1	87%	0.872	59%	0.594	S	S	*	*			trans	-101.7	114.8	175.8	-175.4	-165.2	-67.9	0	0	109.3
70	E	34.9	Very low	43.2	Very low	181 Å²	181	117.3 Å²	117.3	85%	0.846	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-94.4	140	168.2	-63.8	-157.8	142.9	0	0	110.2
71	G	30.2	Very low	40.6	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-98.9	124.6	178.4	0	0	0	0	0	111.4
72	E	26.5	Very low	38.1	Very low	187 Å²	187	130.7 Å²	130.7	87%	0.874	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-68.5	141.7	-180	-61.9	-169.4	136.7	0	0	113.1
73	F	23.8	Very low	36	Very low	203 Å²	203	133.4 Å²	133.4	89%	0.89	69%	0.693	S	S	*	*			trans	-112.8	120.8	157.6	-97.2	-84	0	0	0	108.7
74	P	26.5	Very low	34.2	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	70%	0.704	S	S	*	*			trans	-72.3	140.8	-172.2	-19.7	32.4	0	0	0	114.1
75	C	22.6	Very low	32.4	Very low	132 Å²	132	141.1 Å²	141.1	89%	0.892	72%	0.718	S	S	*	*			trans	-82.5	137.4	163.8	-68.6	0	0	0	0	111.3
76	Q	25.1	Very low	30.7	Very low	177 Å²	177	145 Å²	145	83%	0.827	74%	0.741	S	S	*	*			trans	-135.4	127.7	165	-77.2	-166.9	-20.5	0	0	112.9
77	H	22.3	Very low	29.3	Very low	182 Å²	182	150.8 Å²	150.8	84%	0.843	77%	0.771	S	S	*	*			trans	39.6	125.8	151.9	-69.1	-81.5	0	0	0	123.1
78	S	23.6	Very low	27.8	Very low	104 Å²	104	155.9 Å²	155.9	73%	0.727	80%	0.802	S	S	*	*			trans	-60.9	177.4	156.6	62.4	0	0	0	0	113.9
79	P	33.6	Very low	27.3	Very low	110 Å²	110	160.8 Å²	160.8	71%	0.714	82%	0.823	S	S	*	*			cis	-138.4	168	8.2	42.1	-25.9	0	0	0	116.5
80	E	23.3	Very low	27.1	Very low	196 Å²	196	163 Å²	163	92%	0.916	82%	0.822	S	S	*	*			trans	-163	165	133.6	-118	167.5	-165.7	0	0	112.6
81	V	24.9	Very low	27.1	Very low	122 Å²	122	162.6 Å²	162.6	74%	0.739	82%	0.823	S	S	*	*			trans	-109.8	139	179	171.6	0	0	0	0	108.5
82	W	23.8	Very low	26.9	Very low	263 Å²	263	168 Å²	168	100%	0.996	83%	0.829	S	S	*	*			trans	-155.9	167.5	145.4	-98.4	7.8	0	0	0	111.5
83	K	24.3	Very low	26.9	Very low	189 Å²	189	167.8 Å²	167.8	82%	0.822	83%	0.828	S	S	*	*			trans	-94.8	163.5	-171.5	-59.3	174	-177.8	175.8	0	111.3
84	F	24.8	Very low	27	Very low	169 Å²	169	165.5 Å²	165.5	74%	0.741	83%	0.825	S	S	*	*			trans	-134.3	50.5	-178.3	-141.5	-92.5	0	0	0	114.1	L87	F84-L87 HydrophobicContact CE1-CB 3.69Å; F84-L87 HydrophobicContact CE1-CD2 4.09Å; F84-L87 HydrophobicContact CZ-CB 4.18Å; F84-L87 HydrophobicContact CZ-CD2 4.02Å
85	D	26.1	Very low	27	Very low	147 Å²	147	168.9 Å²	168.9	79%	0.786	83%	0.831	S	S	*	*			trans	-99.6	83.4	159.8	-65	-59.7	0	0	0	107.8
86	D	29.3	Very low	27.1	Very low	158 Å²	158	170.4 Å²	170.4	85%	0.845	83%	0.83	S	S	*	*			trans	176.3	51.5	161.7	-99.8	-11.2	0	0	0	113.8
87	L	29.3	Very low	27.2	Very low	125 Å²	125	169.9 Å²	169.9	65%	0.654	83%	0.825	S	S	*	*			trans	-145.6	35.3	170.4	-149.9	72.5	0	0	0	115.9	F84	F84-L87 HydrophobicContact CE1-CB 3.69Å; F84-L87 HydrophobicContact CE1-CD2 4.09Å; F84-L87 HydrophobicContact CZ-CB 4.18Å; F84-L87 HydrophobicContact CZ-CD2 4.02Å
88	I	33	Very low	27.4	Very low	176 Å²	176	168.6 Å²	168.6	90%	0.903	82%	0.819	S	S	*	*	S	Bend	trans	-126.6	52.6	165.6	-47	-175.9	0	0	0	109.9
89	E	31.9	Very low	27.5	Very low	190 Å²	190	168.9 Å²	168.9	89%	0.888	82%	0.821	S	S	*	*	S	Bend	trans	-155.6	40.2	172.6	-142.1	170.3	-123.4	0	0	113.6
90	R	30.1	Very low	27.2	Very low	224 Å²	224	175 Å²	175	85%	0.845	83%	0.83	S	S	*	*	S	Bend	trans	-152.6	21.8	177.7	-134.5	176.5	-64.7	176.5	4.9	118.6
91	I	33.9	Very low	27.3	Very low	173 Å²	173	174.7 Å²	174.7	89%	0.887	83%	0.829	S	S	*	*	S	Bend	trans	-133.1	61.4	167.3	-48	-179.1	0	0	0	109.1
92	Q	25.8	Very low	27.3	Very low	187 Å²	187	173.1 Å²	173.1	87%	0.874	83%	0.828	S	S	*	*			trans	-157.6	56.2	176.2	-135.8	167.2	10.9	0	0	113.7
93	E	26.5	Very low	27.3	Very low	182 Å²	182	165.6 Å²	165.6	85%	0.85	82%	0.822	S	S	*	*			trans	-162.8	150.6	158.5	-113.5	163.5	-152.4	0	0	109.7
94	N	25.8	Very low	27.4	Very low	155 Å²	155	162.5 Å²	162.5	83%	0.829	82%	0.823	S	S	*	*	S	Bend	trans	64.9	116.8	-170.1	-55.7	-29.5	0	0	0	114.7
95	E	27.2	Very low	27.5	Very low	186 Å²	186	163 Å²	163	87%	0.869	83%	0.831	S	S	*	*			cis	-140.5	137.1	0.3	-59.3	-174.3	112.7	0	0	111.5
96	D	25.2	Very low	27.4	Very low	163 Å²	163	163 Å²	163	87%	0.872	83%	0.831	S	S	*	*			trans	-133.8	92.4	163.5	179	24.1	0	0	0	109.7
97	K	27	Very low	27.2	Very low	166 Å²	166	160.2 Å²	160.2	72%	0.722	82%	0.824	S	S	*	*			trans	179.7	126.1	175.3	-109.7	-179.5	167.2	-174	0	107.8
98	H	25.7	Very low	27.1	Very low	155 Å²	155	163 Å²	163	72%	0.718	83%	0.831	S	S	*	*			cis	-148.7	169.7	9.4	-64.6	93.6	0	0	0	107
99	S	25.7	Very low	26.7	Very low	110 Å²	110	160 Å²	160	77%	0.769	82%	0.821	S	S	*	*			cis	-159.7	165.8	-11.6	-115.8	0	0	0	0	108.4
100	R	27.4	Very low	26.3	Very low	239 Å²	239	157.7 Å²	157.7	90%	0.902	81%	0.814	S	S	*	*			trans	-76.3	130.6	171.8	-49.4	165.6	-167.9	142.8	4.7	110.3
101	Q	25.9	Very low	26	Very low	190 Å²	190	152.1 Å²	152.1	89%	0.888	81%	0.805	S	S	*	*				-174.5	150.9	128.1	-111	175.7	-14.7	0	0	116.8
102	A	23.9	Very low	25.6	Very low	88 Å²	88	151.9 Å²	151.9	73%	0.727	80%	0.801	S	S	*	*			trans	68	111.8	143.1	0	0	0	0	0	122.5
103	A	25.5	Very low	25.6	Very low	105 Å²	105	149.5 Å²	149.5	87%	0.868	79%	0.789	S	S	*	*				73.8	140.7	129.7	0	0	0	0	0	121.3
104	C	25.2	Very low	25.6	Very low	125 Å²	125	147.8 Å²	147.8	85%	0.845	78%	0.779	S	S	*	*			trans	-82.6	153.9	172.7	-47.3	0	0	0	0	111.8
105	I	26.8	Very low	25.5	Very low	178 Å²	178	147.3 Å²	147.3	91%	0.913	77%	0.772	S	S	*	*			trans	-158.1	165	141	-108.3	156.1	0	0	0	110.1
106	N	24.7	Very low	25.4	Very low	147 Å²	147	144 Å²	144	79%	0.786	76%	0.76	S	S	*	*			trans	-89.5	154.8	-163.3	-92.4	-36.7	0	0	0	116.1
107	S	24.2	Very low	25.4	Very low	101 Å²	101	142 Å²	142	71%	0.706	75%	0.754	S	S	*	*			trans	84.1	137.8	134.1	70.1	0	0	0	0	123.7
108	K	27.6	Very low	25.1	Very low	183 Å²	183	142.5 Å²	142.5	80%	0.796	76%	0.756	S	S	*	*			trans	91.6	107.9	134.5	-88.7	179.2	179.7	-172.2	0	122.6
109	T	24.1	Very low	25	Very low	113 Å²	113	139.9 Å²	139.9	69%	0.693	76%	0.755	S	S	*	*				81.9	133.5	123.7	47	0	0	0	0	124.5
110	L	23.8	Very low	25	Very low	142 Å²	142	142.7 Å²	142.7	74%	0.743	76%	0.755	S	S	*	*			trans	73.6	109.4	143.8	-67.9	165.5	0	0	0	117.4
111	T	24	Very low	24.7	Very low	107 Å²	107	136.7 Å²	136.7	66%	0.656	75%	0.746	S	S	*	*				69	137	97.7	61.5	0	0	0	0	112.9
112	E	25.1	Very low	24.5	Very low	168 Å²	168	137.8 Å²	137.8	79%	0.785	74%	0.743	S	S	*	*			cis	-161.1	170.9	47.4	-109.2	120.2	-92.2	0	0	108.6
113	E	25.8	Very low	24.4	Very low	137 Å²	137	140.4 Å²	140.4	64%	0.64	74%	0.742	S	S	*	*			cis	-169.8	170.2	-11.6	-147	-163	166.9	0	0	109.4
114	K	26.8	Very low	24.3	Very low	145 Å²	145	142.8 Å²	142.8	63%	0.63	74%	0.735	S	S	*	*			trans	60.8	155.4	153.4	-77.8	-175.1	-179.5	99.6	0	121.4
115	E	24.6	Very low	24.2	Very low	146 Å²	146	143.7 Å²	143.7	68%	0.682	74%	0.737	S	S	*	*			cis	-167.9	162.6	-30.1	-136.9	173.5	-155.7	0	0	112.5
116	N	25	Very low	24.1	Very low	117 Å²	117	140.5 Å²	140.5	63%	0.626	73%	0.73	S	S	*	*			trans	79.8	132.4	144.3	-87.2	-44.3	0	0	0	126.4
117	T	24.4	Very low	24	Very low	119 Å²	119	141.8 Å²	141.8	73%	0.73	74%	0.736	S	S	*	*			trans	71.1	146.1	144.1	56.1	0	0	0	0	121.2
118	F	22	Very low	24	Very low	177 Å²	177	143 Å²	143	78%	0.776	74%	0.739	S	S	*	*			cis	-146.5	179.9	-1	-159.7	-114	0	0	0	112.4
119	C	23.4	Very low	24	Very low	101 Å²	101	139.9 Å²	139.9	68%	0.682	74%	0.738	S	S	*	*			trans	-118.5	164.9	-175.6	-58	0	0	0	0	114
120	Q	24.7	Very low	24	Very low	168 Å²	168	140.5 Å²	140.5	79%	0.785	75%	0.747	S	S	*	*			trans	161	136.1	145.7	-89.8	165.2	-31.8	0	0	109
121	T	22.3	Very low	24.1	Very low	114 Å²	114	139 Å²	139	70%	0.699	75%	0.748	S	S	*	*			cis	91.7	108.8	21.1	70.6	0	0	0	0	117.5
122	Y	21.5	Very low	24.4	Very low	212 Å²	212	141.5 Å²	141.5	83%	0.831	76%	0.756	S	S	*	*			trans	-179	131.9	130.2	-112.5	-127.1	0	0	0	107.7
123	M	21.8	Very low	24.7	Very low	143 Å²	143	140.2 Å²	140.2	70%	0.704	75%	0.753	S	S	*	*				59.4	146.8	70.3	-59.8	-65.4	-152.1	0	0	114.4
124	E	23.2	Very low	24.9	Very low	156 Å²	156	135.7 Å²	135.7	73%	0.729	74%	0.739	S	S	*	*			cis	171.1	142.3	-24.8	175.6	175.2	-113.9	0	0	105.7
125	T	22.4	Very low	25.5	Very low	144 Å²	144	136 Å²	136	88%	0.883	74%	0.742	S	S	*	*			trans	-176.8	158.5	153.7	10.4	0	0	0	0	113.3
126	S	23.9	Very low	26.1	Very low	110 Å²	110	133.8 Å²	133.8	77%	0.769	74%	0.735	S	S	*	*			trans	-134.1	161	-172.9	-48.2	0	0	0	0	112.1
127	L	24.1	Very low	26.7	Very low	175 Å²	175	129.8 Å²	129.8	92%	0.916	72%	0.716	S	S	*	*			trans	-162.4	173.6	153	-109.5	170.7	0	0	0	111.9
128	V	24.3	Very low	27.6	Very low	126 Å²	126	131.2 Å²	131.2	76%	0.764	72%	0.724	S	S	*	*			trans	-116.6	150.4	-158.1	-179.6	0	0	0	0	112.8
129	P	27.8	Very low	28.8	Very low	118 Å²	118	128 Å²	128	77%	0.766	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-88.7	160.7	-178.7	7.4	11.4	0	0	0	114.9
130	S	24.3	Very low	30	Very low	126 Å²	126	126.2 Å²	126.2	88%	0.881	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-92.1	159.2	175.7	-60.3	0	0	0	0	113.2
131	S	25.1	Very low	31.2	Very low	109 Å²	109	121 Å²	121	76%	0.762	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-97.6	158.1	-175.5	52.6	0	0	0	0	114.9
132	I	29	Very low	32	Very low	161 Å²	161	121.2 Å²	121.2	83%	0.826	69%	0.694	S	S	*	*			trans	-113.4	142.6	165.4	-65.8	177.1	0	0	0	108.1
133	I	32.1	Very low	32.6	Very low	141 Å²	141	114.8 Å²	114.8	72%	0.723	67%	0.674	S	S	*	*			trans	-112.4	131.9	177	-61.7	174.2	0	0	0	108.4
134	A	30.8	Very low	33.3	Very low	42 Å²	42	112.9 Å²	112.9	35%	0.347	67%	0.666	S	S	.	*			trans	-110.1	142.8	-176.5	0	0	0	0	0	111.3	N143	A134-N143 VanDerWaalsContact C-OD1 3.3Å; A134-N143 WeakPolarHBondContact CB-ND2 3.42Å; A134-N143 VanDerWaalsContact CB-OD1 3.3Å; A134-N143 WeakPolarHBondContact CB-OD1 3.35Å
135	H	39.2	Very low	33.8	Very low	152 Å²	152	113.5 Å²	113.5	70%	0.704	67%	0.669	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.1	126.8	-174.9	-85	-62.4	0	0	0	112.8	N143 L144	H135-N143 PolarHBondContact N-OD1 3.29Å; H135-N143 PolarHBondContact O-OD1 2.87Å; H135-N143 VanDerWaalsContact O-OD1 3.04Å; H135-L144 PolarHBondContact O-N 3.32Å
136	N	37.8	Very low	34.2	Very low	99 Å²	99	111.8 Å²	111.8	53%	0.529	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.7	138.3	176.9	-65.8	-35.3	0	0	0	112.9	V138 K142 N143	N136-V138 PolarHBondContact O-N 3.06Å; N136-K142 CarbonylContact C-O 3.57Å; N136-K142 WeakPolarHBondContact CA-O 3.46Å; N136-N143 VanDerWaalsContact OD1-CA 3.29Å; N136-N143 WeakPolarHBondContact OD1-CA 3.4Å; N136-N143 VanDerWaalsContact OD1-CB 3.27Å; N136-N143 WeakPolarHBondContact OD1-CB 3.17Å; N136-N143 VanDerWaalsContact OD1-CG 3.26Å; N136-N143 PolarHBondContact OD1-N 2.99Å
137	C	37.2	Very low	34.6	Very low	33 Å²	33	113.9 Å²	113.9	22%	0.223	66%	0.664	C	S	.	*			trans	-73.1	116.4	168.5	-179.5	0	0	0	0	110.1	S139 C140 G141 K142 L144	C137-S139 PolarHBondContact O-N 2.97Å; C137-S139 VanDerWaalsContact O-N 3.15Å; C137-C140 PolarHBondContact O-N 2.95Å; C137-G141 PolarHBondContact O-N 2.97Å; C137-K142 PolarHBondContact N-O 3.42Å; C137-L144 HydrophobicContact CB-CD1 4.35Å
138	V	42.8	Very low	34.8	Very low	148 Å²	148	110.8 Å²	110.8	90%	0.897	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-25.7	-174.7	-178.6	0	0	0	0	112.9	N136	N136-V138 PolarHBondContact O-N 3.06Å
139	S	47.1	Very low	35	Very low	111 Å²	111	112.6 Å²	112.6	78%	0.776	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-19	-178.3	-53.3	0	0	0	0	114.9	C137	C137-S139 PolarHBondContact O-N 2.97Å; C137-S139 VanDerWaalsContact O-N 3.15Å
140	C	47.6	Very low	35.1	Very low	63 Å²	63	113.6 Å²	113.6	43%	0.426	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-135	-4.3	-177.4	68.3	0	0	0	0	115	C137 K142	C137-C140 PolarHBondContact O-N 2.95Å; C140-K142 PolarHBondContact O-N 3.02Å
141	G	50.1	Low	35.8	Very low	59 Å²	59	114.9 Å²	114.9	61%	0.608	65%	0.651	S	S	*	*			trans	73.7	-0.2	174	0	0	0	0	0	115.9	C137	C137-G141 PolarHBondContact O-N 2.97Å
142	K	40.9	Very low	35.8	Very low	117 Å²	117	114.8 Å²	114.8	51%	0.509	65%	0.65	S	S	.	*			trans	-93.1	155.9	177.1	-70	-170.5	-174.7	176.6	0	112.6	N136 C137 C140 E167	N136-K142 CarbonylContact C-O 3.57Å; N136-K142 WeakPolarHBondContact CA-O 3.46Å; C137-K142 PolarHBondContact N-O 3.42Å; C140-K142 PolarHBondContact O-N 3.02Å; K142-E167 IonicContact NZ-OE1 3.73Å; K142-E167 IonicContact NZ-OE2 3.17Å; K142-E167 PolarHBondContact NZ-OE2 3.03Å
143	N	33.6	Very low	36.1	Very low	77 Å²	77	113.4 Å²	113.4	41%	0.412	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	145.8	178	-142.7	-22.8	0	0	0	111.2	A134 H135 N136	A134-N143 VanDerWaalsContact C-OD1 3.3Å; A134-N143 WeakPolarHBondContact CB-ND2 3.42Å; A134-N143 VanDerWaalsContact CB-OD1 3.3Å; A134-N143 WeakPolarHBondContact CB-OD1 3.35Å; H135-N143 PolarHBondContact N-OD1 3.29Å; H135-N143 PolarHBondContact O-OD1 2.87Å; H135-N143 VanDerWaalsContact O-OD1 3.04Å; N136-N143 VanDerWaalsContact OD1-CA 3.29Å; N136-N143 WeakPolarHBondContact OD1-CA 3.4Å; N136-N143 VanDerWaalsContact OD1-CB 3.27Å; N136-N143 WeakPolarHBondContact OD1-CB 3.17Å; N136-N143 VanDerWaalsContact OD1-CG 3.26Å; N136-N143 PolarHBondContact OD1-N 2.99Å
144	L	36.9	Very low	36.1	Very low	103 Å²	103	113.2 Å²	113.2	54%	0.539	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	106.6	176.5	-78	170.5	0	0	0	110.5	H135 C137	H135-L144 PolarHBondContact O-N 3.32Å; C137-L144 HydrophobicContact CB-CD1 4.35Å
145	E	33.6	Very low	36.5	Very low	169 Å²	169	114.6 Å²	114.6	79%	0.79	67%	0.674	S	S	*	*			trans	-82.8	120.4	167.9	-64.2	-175.3	149.7	0	0	109
146	S	29.8	Very low	35.9	Very low	109 Å²	109	112.6 Å²	112.6	76%	0.762	68%	0.677	S	S	*	*			trans	-114.8	118.1	173.6	-175.6	0	0	0	0	109.2
147	I	33	Very low	35.8	Very low	154 Å²	154	119 Å²	119	79%	0.79	70%	0.695	S	S	*	*			trans	-93.7	130.4	174.6	-62.1	172.3	0	0	0	108.1
148	S	28	Very low	35.2	Very low	109 Å²	109	122.3 Å²	122.3	76%	0.762	73%	0.725	S	S	*	*			trans	-147.8	79.7	171.2	-69.5	0	0	0	0	110.3
149	E	27.6	Very low	34.6	Very low	164 Å²	164	124.5 Å²	124.5	77%	0.766	72%	0.722	S	S	*	*			trans	12.6	139.9	150.4	-63.8	-170.3	154.4	0	0	122.7
150	L	29.5	Very low	33.5	Very low	139 Å²	139	125.6 Å²	125.6	73%	0.728	72%	0.724	S	S	*	*			trans	70.3	77.8	138.9	-65.2	169.7	0	0	0	120.9
151	I	40.3	Very low	32.5	Very low	153 Å²	153	132.4 Å²	132.4	79%	0.785	75%	0.747	S	S	*	*				40.1	118.9	114.8	-52.9	169.7	0	0	0	118.2
152	S	24.8	Very low	32.3	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	75%	0.751	S	S	*	*			trans	-150.5	164.1	139.4	-83.9	0	0	0	0	111	D154	S152-D154 PolarHBondContact O-N 3.17Å
153	S	34.7	Very low	31.6	Very low	131 Å²	131	136.8 Å²	136.8	92%	0.916	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	27.2	-152.3	62.7	0	0	0	0	116.4
154	D	32.3	Very low	31.6	Very low	138 Å²	138	141.6 Å²	141.6	74%	0.738	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	-7.9	-173.1	62.3	-7.9	0	0	0	115.6	S152	S152-D154 PolarHBondContact O-N 3.17Å
155	G	39.6	Very low	31.7	Very low	71 Å²	71	138.7 Å²	138.7	73%	0.732	78%	0.776	S	S	*	*			trans	75.3	49.5	155.2	0	0	0	0	0	117.1
156	S	26.8	Very low	32.2	Very low	110 Å²	110	138 Å²	138	77%	0.769	78%	0.777	S	S	*	*			trans	-112.4	150.3	167.6	66.7	0	0	0	0	112.5
157	Y	35.1	Very low	33	Very low	234 Å²	234	139.9 Å²	139.9	92%	0.918	77%	0.774	S	S	*	*			trans	-112.2	142	-173.1	-83.9	-94.7	0	0	0	112.5
158	A	25.2	Very low	33.8	Very low	102 Å²	102	135.1 Å²	135.1	84%	0.843	75%	0.754	S	S	*	*			trans	-139.3	146.8	165.3	0	0	0	0	0	111.5
159	K	29.2	Very low	34.5	Very low	194 Å²	194	139.3 Å²	139.3	84%	0.843	76%	0.761	S	S	*	*			trans	-113.7	142.7	169.8	-65.8	172.8	177.4	173.1	0	108.1
160	T	23.8	Very low	34.9	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	76%	0.761	S	S	*	*				171.4	108.5	109.2	39.9	0	0	0	0	113.5
161	K	26.7	Very low	34.8	Very low	205 Å²	205	139.1 Å²	139.1	89%	0.891	76%	0.762	S	S	*	*			trans	48.2	155.9	135.4	-77.5	-161.9	169.6	-168.2	0	123.7
162	P	46.1	Very low	34.1	Very low	109 Å²	109	142 Å²	142	71%	0.708	77%	0.765	S	S	*	*			trans	-114.8	-179.2	-168.4	44.5	-33.5	0	0	0	114.1
163	D	27.6	Very low	34.3	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	77%	0.77	S	S	*	*			trans	-122.4	156.4	161.1	-75.1	-60.8	0	0	0	111
164	E	33.9	Very low	33.9	Very low	178 Å²	178	143 Å²	143	83%	0.832	76%	0.762	S	S	*	*			trans	69.8	145.5	173	-55.4	-171.4	160.8	0	0	119
165	C	37.1	Very low	33.7	Very low	42 Å²	42	145.9 Å²	145.9	28%	0.284	77%	0.771	S	S	.	*			trans	-139.3	111.8	177.3	177.7	0	0	0	0	109.3	E167	C165-E167 PolarHBondContact O-N 3.28Å; C165-E167 VanDerWaalsContact O-N 3.08Å
166	N	45	Very low	33.1	Very low	153 Å²	153	151.9 Å²	151.9	82%	0.818	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	5.9	-162.9	-67	-25.8	0	0	0	116.1
167	E	47.5	Very low	32.8	Very low	150 Å²	150	153.9 Å²	153.9	70%	0.701	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-8.9	178	-78.9	-154.2	146.8	0	0	115.1	K142 C165	K142-E167 IonicContact NZ-OE1 3.73Å; K142-E167 IonicContact NZ-OE2 3.17Å; K142-E167 PolarHBondContact NZ-OE2 3.03Å; C165-E167 PolarHBondContact O-N 3.28Å; C165-E167 VanDerWaalsContact O-N 3.08Å
168	C	47.9	Very low	32.3	Very low	53 Å²	53	154 Å²	154	36%	0.358	78%	0.777	S	S	.	*	S	Bend	trans	-128	-1.9	-167.1	63.1	0	0	0	0	118.3	K170	C168-K170 PolarHBondContact O-N 3.46Å
169	E	42.9	Very low	32.1	Very low	197 Å²	197	156.5 Å²	156.5	92%	0.921	77%	0.771	S	S	*	*			trans	36.3	39.8	169.8	-66.4	-162.9	141.4	0	0	117
170	K	36.3	Very low	31.7	Very low	176 Å²	176	155 Å²	155	77%	0.765	77%	0.765	S	S	*	*			trans	-137	113.3	175.4	-74	-173.7	-179.7	179.1	0	110.3	C168	C168-K170 PolarHBondContact O-N 3.46Å
171	T	28.1	Very low	31.7	Very low	123 Å²	123	153.8 Å²	153.8	76%	0.755	75%	0.753	S	S	*	*			trans	-72.3	142.6	172.9	46.6	0	0	0	0	110.8
172	Y	25.2	Very low	31.6	Very low	215 Å²	215	151.1 Å²	151.1	84%	0.843	74%	0.744	S	S	*	*			trans	-125	119.8	158.1	-96.7	-86.5	0	0	0	107.8	G174	Y172-G174 PolarHBondContact O-N 2.7Å
173	H	29.2	Very low	30.5	Very low	186 Å²	186	153.2 Å²	153.2	86%	0.861	75%	0.749	S	S	*	*			trans	-62.2	128.4	170.8	-77.2	-92	0	0	0	109.2
174	G	26.8	Very low	30.3	Very low	73 Å²	73	148.8 Å²	148.8	75%	0.753	74%	0.741	S	S	*	*			trans	-83.9	155.3	176.9	0	0	0	0	0	112.8	Y172	Y172-G174 PolarHBondContact O-N 2.7Å
175	E	26.9	Very low	29.8	Very low	198 Å²	198	147.5 Å²	147.5	93%	0.925	74%	0.74	S	S	*	*			trans	-142.2	174	156.5	-120.1	170.8	-157.6	0	0	110.1
176	K	27.7	Very low	29.1	Very low	197 Å²	197	151.6 Å²	151.6	86%	0.857	76%	0.764	S	S	*	*			trans	-91	158	-144.7	-74.5	177.2	176.8	173.5	0	117.4
177	M	21.4	Very low	28	Very low	153 Å²	153	154.4 Å²	154.4	75%	0.754	77%	0.765	S	S	*	*			trans	-7.3	144.7	155.6	-53	173.7	75.2	0	0	118.3
178	Y	24.2	Very low	26.9	Very low	236 Å²	236	151 Å²	151	93%	0.925	76%	0.757	S	S	*	*				-155.8	-168.3	114.6	-98.4	-61.9	0	0	0	110.4
179	E	21.1	Very low	25.9	Very low	154 Å²	154	155.3 Å²	155.3	72%	0.72	77%	0.772	S	S	*	*			trans	-128.9	170.1	-145.9	-125	179.9	171.8	0	0	115.5
180	F	20.8	Very low	25	Very low	163 Å²	163	152.5 Å²	152.5	72%	0.715	76%	0.764	S	S	*	*			trans	76.9	113	157.4	-95.4	-120	0	0	0	122.5
181	N	23.1	Very low	24.4	Very low	109 Å²	109	151.1 Å²	151.1	58%	0.583	76%	0.76	S	S	*	*				69.6	132.2	121	-79.2	8.5	0	0	0	125.7
182	Q	24.4	Very low	24.4	Very low	149 Å²	149	153.5 Å²	153.5	70%	0.696	76%	0.762	S	S	*	*			trans	82.5	125.9	134.7	-74.7	175.4	27.9	0	0	122.3
183	N	23.6	Very low	24.4	Very low	153 Å²	153	149.2 Å²	149.2	82%	0.818	75%	0.754	S	S	*	*			trans	61.6	146	138.9	-53.3	-9.9	0	0	0	120.8
184	G	23.3	Very low	24.3	Very low	66 Å²	66	148.3 Å²	148.3	68%	0.68	75%	0.754	S	S	*	*			trans	126.2	98.2	153.6	0	0	0	0	0	117.3
185	D	23.3	Very low	24.2	Very low	152 Å²	152	150.4 Å²	150.4	81%	0.813	75%	0.747	S	S	*	*				47.9	109.5	115.1	-61.2	-1.6	0	0	0	121.3
186	T	22.9	Very low	24.3	Very low	128 Å²	128	149.5 Å²	149.5	79%	0.785	74%	0.743	S	S	*	*			trans	50.6	151.6	130.3	31.3	0	0	0	0	125.2
187	Y	20.7	Very low	24.4	Very low	211 Å²	211	148.7 Å²	148.7	83%	0.827	74%	0.739	S	S	*	*			trans	93	89.7	148.4	-109.6	-95.2	0	0	0	120.8
188	S	25.7	Very low	24.7	Very low	78 Å²	78	147.6 Å²	147.6	55%	0.545	74%	0.735	S	S	.	*				56.2	137.4	114	-128.3	0	0	0	0	123.7
189	Q	27.2	Very low	24.8	Very low	145 Å²	145	143.2 Å²	143.2	68%	0.678	73%	0.728	S	S	*	*			trans	59.6	124.1	141.8	-74.4	163.5	-73.3	0	0	121.2
190	N	23.5	Very low	25	Very low	138 Å²	138	143 Å²	143	74%	0.738	73%	0.73	S	S	*	*				-149.5	125.7	100.7	-95.1	-7	0	0	0	108.5
191	E	24.5	Very low	25.1	Very low	147 Å²	147	141.3 Å²	141.3	69%	0.687	73%	0.728	S	S	*	*				66.8	107.5	90.3	-67.6	-172	171.3	0	0	112
192	E	28.2	Very low	25.2	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	74%	0.738	S	S	*	*				94.6	154.1	55.7	-173.4	169.4	-99	0	0	112
193	N	23.8	Very low	25.4	Very low	124 Å²	124	146.4 Å²	146.4	66%	0.663	75%	0.745	S	S	*	*			trans	75.5	146.1	-161.8	-65.7	-85.1	0	0	0	112.9	L195	N193-L195 WeakPolarHBondContact OD1-CD1 3.14Å
194	I	26.8	Very low	26.1	Very low	167 Å²	167	144.6 Å²	144.6	86%	0.856	74%	0.742	S	S	*	*			cis	-120.4	137.5	28	-69.1	167.4	0	0	0	114
195	L	25.5	Very low	26.1	Very low	117 Å²	117	150 Å²	150	61%	0.613	75%	0.747	S	S	*	*			trans	-58.5	140.6	170	-84	61.7	0	0	0	113.5	N193	N193-L195 WeakPolarHBondContact OD1-CD1 3.14Å
196	Q	29.2	Very low	26.1	Very low	180 Å²	180	152 Å²	152	84%	0.841	75%	0.752	S	S	*	*			trans	-133.2	104.1	137.1	-75.3	-155.3	7.9	0	0	113.1
197	K	29.8	Very low	26.1	Very low	179 Å²	179	154.9 Å²	154.9	78%	0.778	75%	0.749	S	S	*	*			trans	42.4	114.5	137	-57.9	174.7	-178.6	176.4	0	118.6
198	I	27.3	Very low	26.4	Very low	130 Å²	130	150.5 Å²	150.5	67%	0.667	74%	0.74	S	S	*	*			cis	91.7	133.6	41.7	-65.1	168.2	0	0	0	114.4
199	N	25.4	Very low	26.5	Very low	145 Å²	145	154.5 Å²	154.5	78%	0.775	75%	0.75	S	S	*	*			trans	74.2	148.8	169.9	-70.1	-13.6	0	0	0	116.9
200	I	26.2	Very low	26.4	Very low	149 Å²	149	153.7 Å²	153.7	76%	0.764	76%	0.759	S	S	*	*			cis	-129.8	143.9	23.3	-75.8	176.5	0	0	0	113.2
201	L	23.7	Very low	26.4	Very low	128 Å²	128	154.9 Å²	154.9	67%	0.67	76%	0.762	S	S	*	*			trans	14.5	150.7	144.6	-46.5	176.1	0	0	0	120.7
202	E	24.2	Very low	26.5	Very low	169 Å²	169	156.3 Å²	156.3	79%	0.79	77%	0.769	S	S	*	*			cis	-158	176.7	7.4	-133.3	150.5	-159.5	0	0	113.9
203	K	29.7	Very low	26.4	Very low	196 Å²	196	153.9 Å²	153.9	85%	0.852	77%	0.766	S	S	*	*			trans	-103.4	-179.3	176.2	-98.7	179.5	-178.2	179.7	0	109.6
204	P	37.5	Very low	26.6	Very low	115 Å²	115	154.6 Å²	154.6	75%	0.747	77%	0.769	S	S	*	*			cis	-146.4	159.7	26.2	41.3	-19.4	0	0	0	120.3
205	F	22.6	Very low	26.6	Very low	179 Å²	179	152.9 Å²	152.9	79%	0.785	76%	0.761	S	S	*	*				38	132.4	122.9	-142.3	-101.6	0	0	0	122.1
206	E	23.5	Very low	26.8	Very low	195 Å²	195	153.6 Å²	153.6	91%	0.911	77%	0.766	S	S	*	*				-155.6	154.2	121.9	-126.9	171.9	-142	0	0	112.2
207	Y	22.4	Very low	26.8	Very low	188 Å²	188	153.3 Å²	153.3	74%	0.737	76%	0.764	S	S	*	*			trans	-152.5	126.2	179.7	176.6	-81	0	0	0	109.1
208	N	27.4	Very low	26.8	Very low	119 Å²	119	148.5 Å²	148.5	64%	0.636	76%	0.758	S	S	*	*			trans	161.5	155	162.5	-93	16.9	0	0	0	106.7
209	E	27.6	Very low	27	Very low	161 Å²	161	147 Å²	147	75%	0.752	76%	0.755	S	S	*	*			cis	-159.1	140.1	-14	-121.7	170.1	145.7	0	0	107.5
210	C	24.9	Very low	27.3	Very low	129 Å²	129	149.8 Å²	149.8	87%	0.872	76%	0.76	S	S	*	*				-176	126.4	124.8	-135.2	0	0	0	0	110.1
211	M	24.9	Very low	27.6	Very low	163 Å²	163	148.7 Å²	148.7	80%	0.803	76%	0.76	S	S	*	*			trans	-84.2	144.1	162.4	-77.6	-112.6	-67.5	0	0	109.4
212	E	25.8	Very low	27.9	Very low	177 Å²	177	146.8 Å²	146.8	83%	0.827	76%	0.763	S	S	*	*			trans	-153.2	123.3	132.6	-124.7	172.2	-140.6	0	0	110.4
213	V	26.6	Very low	28.2	Very low	122 Å²	122	148 Å²	148	74%	0.739	77%	0.768	S	S	*	*			trans	-114.3	115.2	171.3	173.7	0	0	0	0	106
214	L	28.4	Very low	28.3	Very low	138 Å²	138	147.9 Å²	147.9	72%	0.723	77%	0.768	S	S	*	*			trans	-136.3	141.8	171.2	-74.4	177.8	0	0	0	110.7
215	D	26	Very low	28	Very low	131 Å²	131	154 Å²	154	70%	0.701	78%	0.775	S	S	*	*			trans	-60.3	149	-163.6	-58.5	-67.4	0	0	0	115.1
216	N	29.3	Very low	28.3	Very low	132 Å²	132	149.4 Å²	149.4	71%	0.706	77%	0.771	S	S	*	*			trans	-135.4	19.1	152.6	-97.7	-89.1	0	0	0	113.5	A218 V219	N216-A218 PolarHBondContact O-N 2.86Å; N216-A218 VanDerWaalsContact O-N 3.14Å; N216-V219 WeakPolarHBondContact OD1-CG2 3.37Å
217	E	30	Very low	28.5	Very low	175 Å²	175	150.5 Å²	150.5	82%	0.818	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-58.7	-20.4	167.2	-152.7	70.7	-164.1	0	0	111.8	V219	E217-V219 PolarHBondContact O-N 3.19Å
218	A	30	Very low	28.8	Very low	77 Å²	77	149.1 Å²	149.1	64%	0.636	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-76.6	-15.7	-172.7	0	0	0	0	0	116.2	N216 F220	N216-A218 PolarHBondContact O-N 2.86Å; N216-A218 VanDerWaalsContact O-N 3.14Å; A218-F220 VanDerWaalsContact C-N 3.33Å; A218-F220 PolarHBondContact O-N 3.14Å
219	V	31.8	Very low	28.7	Very low	99 Å²	99	145.9 Å²	145.9	60%	0.6	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-74.7	-21.5	-169.8	-176.7	0	0	0	0	113	N216 E217 V221	N216-V219 WeakPolarHBondContact OD1-CG2 3.37Å; E217-V219 PolarHBondContact O-N 3.19Å; V219-V221 PolarHBondContact O-N 2.99Å; V219-V221 VanDerWaalsContact O-N 3.12Å
220	F	29.9	Very low	28.7	Very low	204 Å²	204	146.7 Å²	146.7	90%	0.895	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-74.5	-1.2	-172.1	-128.1	-88.3	0	0	0	115.7	A218	A218-F220 VanDerWaalsContact C-N 3.33Å; A218-F220 PolarHBondContact O-N 3.14Å
221	V	32.4	Very low	28.8	Very low	125 Å²	125	150 Å²	150	76%	0.758	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-110.4	-17	-172.7	-177	0	0	0	0	113.3	V219 H223	V219-V221 PolarHBondContact O-N 2.99Å; V219-V221 VanDerWaalsContact O-N 3.12Å; V221-H223 PolarHBondContact O-N 3.34Å
222	A	31.8	Very low	29.2	Very low	88 Å²	88	147.4 Å²	147.4	73%	0.727	77%	0.773	S	S	*	*	S	Bend	trans	-76.2	-24	-162.1	0	0	0	0	0	116.4	K224	A222-K224 PolarHBondContact O-N 3.27Å
223	H	29.5	Very low	29.1	Very low	194 Å²	194	149.2 Å²	149.2	90%	0.898	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	40.6	-167.9	-150.9	-73.4	0	0	0	115.1	V221	V221-H223 PolarHBondContact O-N 3.34Å
224	K	31.8	Very low	29.2	Very low	195 Å²	195	151 Å²	151	85%	0.848	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.9	14.7	178.7	-137.3	176.8	-172.6	178	0	115.6	A222	A222-K224 PolarHBondContact O-N 3.27Å
225	R	32.1	Very low	29	Very low	242 Å²	242	156 Å²	156	91%	0.913	78%	0.783	S	S	*	*	S	Bend	trans	-145.6	74.4	176.1	-73.8	-171.6	175.4	166	-0.9	113.2
226	A	28.2	Very low	29	Very low	84 Å²	84	156.8 Å²	156.8	69%	0.694	79%	0.787	S	S	*	*	S	Bend	trans	-154.2	142.4	158.5	0	0	0	0	0	110.2
227	Y	27	Very low	29	Very low	218 Å²	218	157.7 Å²	157.7	86%	0.855	79%	0.793	S	S	*	*			trans	53.6	83.7	170	-64.6	-76.2	0	0	0	119.1
228	V	28.9	Very low	29.1	Very low	158 Å²	158	155.7 Å²	155.7	96%	0.958	80%	0.798	S	S	*	*			trans	-98	134	136	172.3	0	0	0	0	107.4
229	G	26.7	Very low	29	Very low	52 Å²	52	155.5 Å²	155.5	54%	0.536	80%	0.804	S	S	.	*			trans	104.5	129.5	-177.8	0	0	0	0	0	112.6
230	E	26.5	Very low	29.2	Very low	178 Å²	178	156.6 Å²	156.6	83%	0.832	81%	0.813	S	S	*	*			cis	-145.3	132.8	15.5	-67.8	-167.2	112.6	0	0	115
231	K	27.2	Very low	29.2	Very low	197 Å²	197	154.9 Å²	154.9	86%	0.857	81%	0.813	S	S	*	*			trans	63.2	160.7	141.1	-78.2	-177.2	175.6	174.5	0	120.5
232	P	33.8	Very low	29.2	Very low	110 Å²	110	157.5 Å²	157.5	71%	0.714	81%	0.814	S	S	*	*			trans	-110.9	165.8	-140.9	41	-36.1	0	0	0	115.4
233	Y	24.3	Very low	29.4	Very low	214 Å²	214	159.6 Å²	159.6	84%	0.839	81%	0.812	S	S	*	*			trans	-131.8	126.7	151.2	-164.8	-90.7	0	0	0	108.6
234	E	27.1	Very low	29.6	Very low	159 Å²	159	156 Å²	156	74%	0.743	80%	0.796	S	S	*	*			trans	-89.6	130.8	179	-63.8	179.6	151.3	0	0	110.7
235	W	23.8	Very low	29.6	Very low	244 Å²	244	153 Å²	153	92%	0.924	79%	0.786	S	S	*	*			trans	-154.3	147.7	141.8	-123.3	31.5	0	0	0	111.4
236	N	26.8	Very low	30	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	77%	0.766	S	S	*	*			trans	-101.7	166.8	-157.9	-69.4	-33.3	0	0	0	114.4
237	D	29.5	Very low	30.6	Very low	152 Å²	152	146.4 Å²	146.4	81%	0.813	76%	0.763	S	S	*	*			trans	-55.5	157.7	179.5	-60.8	-72.7	0	0	0	115.8
238	S	31.8	Very low	31.2	Very low	132 Å²	132	140 Å²	140	92%	0.923	74%	0.739	S	S	*	*			trans	-164.3	98.6	149.9	-81.6	0	0	0	0	112.3
239	G	29.3	Very low	31.9	Very low	74 Å²	74	138.1 Å²	138.1	76%	0.763	72%	0.724	S	S	*	*			trans	139.5	140.3	163	0	0	0	0	0	114.4
240	P	35.1	Very low	32.5	Very low	122 Å²	122	139.5 Å²	139.5	79%	0.792	73%	0.731	S	S	*	*			trans	-113.3	121.2	-154.9	35.6	-22.2	0	0	0	114.9
241	D	30.5	Very low	33.3	Very low	167 Å²	167	139 Å²	139	89%	0.893	72%	0.722	S	S	*	*			trans	-170.9	62.8	145.3	-100.4	-24.3	0	0	0	109.5	I243	D241-I243 PolarHBondContact O-N 2.88Å
242	F	31.1	Very low	33.9	Very low	180 Å²	180	133.9 Å²	133.9	79%	0.789	70%	0.702	S	S	*	*			trans	-91.8	91	-174.3	-169.1	-95.3	0	0	0	112.4	Q244	F242-Q244 HydrophobicContact CD1-CG 4.23Å; F242-Q244 HydrophobicContact CE1-CG 4Å
243	I	37.3	Very low	34.2	Very low	133 Å²	133	134 Å²	134	68%	0.682	69%	0.688	S	S	*	*			trans	-77.6	122	166.5	-63.6	175.5	0	0	0	108.8	D241 M245	D241-I243 PolarHBondContact O-N 2.88Å; I243-M245 PolarHBondContact O-N 2.73Å
244	Q	32.5	Very low	35.1	Very low	118 Å²	118	127 Å²	127	55%	0.551	67%	0.67	S	S	*	*			trans	-64.6	130.1	-177.4	-69.3	-176.6	-23.4	0	0	112.6	F242 S246 N247	F242-Q244 HydrophobicContact CD1-CG 4.23Å; F242-Q244 HydrophobicContact CE1-CG 4Å; Q244-S246 VanDerWaalsContact CB-OG 3.3Å; Q244-S246 WeakPolarHBondContact CB-OG 3.49Å; Q244-S246 PolarHBondContact O-N 3.46Å; Q244-N247 PolarHBondContact O-N 3.17Å; Q244-N247 VanDerWaalsContact O-N 3.16Å
245	M	31.7	Very low	35.8	Very low	132 Å²	132	123.6 Å²	123.6	65%	0.65	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-61.2	-10.5	178.5	-162.8	65.2	74	0	0	114.1	I243 N247 F248	I243-M245 PolarHBondContact O-N 2.73Å; M245-N247 VanDerWaalsContact C-N 3.26Å; M245-N247 PolarHBondContact O-N 3.11Å; M245-F248 HydrophobicContact SD-CD2 4.46Å
246	S	40.4	Very low	36.7	Very low	71 Å²	71	119 Å²	119	50%	0.497	64%	0.644	S	S	.	*	G	3₁₀ helix	trans	-60.6	-32.3	171.9	44.6	0	0	0	0	113.3	Q244 F248	Q244-S246 VanDerWaalsContact CB-OG 3.3Å; Q244-S246 WeakPolarHBondContact CB-OG 3.49Å; Q244-S246 PolarHBondContact O-N 3.46Å; S246-F248 VanDerWaalsContact C-N 3.31Å; S246-F248 PolarHBondContact O-N 3.3Å
247	N	40.6	Very low	37.8	Very low	117 Å²	117	120 Å²	120	63%	0.626	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-84.1	-2.5	-162.5	-62.4	5.9	0	0	0	114.1	Q244 M245	Q244-N247 PolarHBondContact O-N 3.17Å; Q244-N247 VanDerWaalsContact O-N 3.16Å; M245-N247 VanDerWaalsContact C-N 3.26Å; M245-N247 PolarHBondContact O-N 3.11Å
248	F	40.1	Very low	38.7	Very low	82 Å²	82	119.1 Å²	119.1	36%	0.36	64%	0.637	S	S	.	*	S	Bend	trans	-93.8	126.6	174.7	-69.2	-76.7	0	0	0	111.6	M245 S246 Q252 R253	M245-F248 HydrophobicContact SD-CD2 4.46Å; S246-F248 VanDerWaalsContact C-N 3.31Å; S246-F248 PolarHBondContact O-N 3.3Å; F248-Q252 HydrophobicContact CB-CB 4.33Å; F248-Q252 HydrophobicContact CD1-CB 4.29Å; F248-R253 PolarHBondContact O-NE 2.72Å; F248-R253 PolarHBondContact O-NH2 2.81Å
249	N	43.5	Very low	39.8	Very low	119 Å²	119	118.4 Å²	118.4	64%	0.636	62%	0.618	S	S	*	*			trans	-60.6	151.9	175.2	-77.1	-35.8	0	0	0	111.2	Y251 Q252 R253	N249-Y251 PolarHBondContact O-N 3.37Å; N249-Q252 WeakPolarHBondContact O-CB 3.36Å; N249-Q252 PolarHBondContact O-N 3.44Å; N249-R253 PolarHBondContact O-N 3.43Å
250	A	40	Very low	41	Very low	82 Å²	82	119 Å²	119	68%	0.678	61%	0.608	S	S	*	*	H	α-helix	trans	-54.9	-32.2	-175.1	0	0	0	0	0	113.6	R253 S254	A250-R253 PolarHBondContact O-N 2.79Å; A250-S254 PolarHBondContact O-N 2.84Å; A250-S254 VanDerWaalsContact O-N 3.1Å; A250-S254 PolarHBondContact O-OG 3.48Å
251	Y	42.4	Very low	42.4	Very low	167 Å²	167	116.1 Å²	116.1	66%	0.655	58%	0.583	S	S	*	*	H	α-helix	trans	-68	-32.6	174.5	-179	-106.3	0	0	0	114.1	N249 S254 Q255	N249-Y251 PolarHBondContact O-N 3.37Å; Y251-S254 PolarHBondContact O-OG 3.24Å; Y251-Q255 VanDerWaalsContact CZ-NE2 3.32Å; Y251-Q255 WeakPolarHBondContact O-CG 3.42Å; Y251-Q255 PolarHBondContact O-N 2.97Å; Y251-Q255 PolarHBondContact OH-NE2 3.48Å; Y251-Q255 VanDerWaalsContact OH-NE2 3.14Å
252	Q	40.4	Very low	44	Very low	90 Å²	90	113.6 Å²	113.6	42%	0.421	57%	0.566	S	S	.	*	H	α-helix	trans	-74.6	-38.7	175.1	-68.8	164.1	-45.8	0	0	110.6	F248 N249 Q255 M256	F248-Q252 HydrophobicContact CB-CB 4.33Å; F248-Q252 HydrophobicContact CD1-CB 4.29Å; N249-Q252 WeakPolarHBondContact O-CB 3.36Å; N249-Q252 PolarHBondContact O-N 3.44Å; Q252-Q255 PolarHBondContact O-N 2.96Å; Q252-M256 PolarHBondContact O-N 3.32Å
253	R	39.1	Very low	46	Very low	112 Å²	112	105.2 Å²	105.2	42%	0.423	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-46.1	174.8	-109.1	175.8	-79.2	-176.2	-7.6	112.3	F248 N249 A250 Q255 M256 E257	F248-R253 PolarHBondContact O-NE 2.72Å; F248-R253 PolarHBondContact O-NH2 2.81Å; N249-R253 PolarHBondContact O-N 3.43Å; A250-R253 PolarHBondContact O-N 2.79Å; R253-Q255 VanDerWaalsContact C-N 3.32Å; R253-Q255 PolarHBondContact O-N 3.27Å; R253-M256 PolarHBondContact O-N 3.43Å; R253-E257 PolarHBondContact O-N 3.15Å
254	S	43.3	Very low	47.5	Very low	66 Å²	66	104.7 Å²	104.7	46%	0.462	54%	0.538	S	S	.	.	H	α-helix	trans	-67.5	-27.2	179.1	62.6	0	0	0	0	114.3	A250 Y251	A250-S254 PolarHBondContact O-N 2.84Å; A250-S254 VanDerWaalsContact O-N 3.1Å; A250-S254 PolarHBondContact O-OG 3.48Å; Y251-S254 PolarHBondContact O-OG 3.24Å
255	Q	43.5	Very low	49	Very low	88 Å²	88	104.9 Å²	104.9	41%	0.411	54%	0.539	S	S	.	.	H	α-helix	trans	-72.5	-28.7	176	-68.3	-93.3	-3.2	0	0	113.4	Y251 Q252 R253	Y251-Q255 VanDerWaalsContact CZ-NE2 3.32Å; Y251-Q255 WeakPolarHBondContact O-CG 3.42Å; Y251-Q255 PolarHBondContact O-N 2.97Å; Y251-Q255 PolarHBondContact OH-NE2 3.48Å; Y251-Q255 VanDerWaalsContact OH-NE2 3.14Å; Q252-Q255 PolarHBondContact O-N 2.96Å; R253-Q255 VanDerWaalsContact C-N 3.32Å; R253-Q255 PolarHBondContact O-N 3.27Å
256	M	40.9	Very low	51	Low	147 Å²	147	100.7 Å²	100.7	72%	0.724	52%	0.522	S	S	*	.	H	α-helix	trans	-83.6	-41.4	-177	-80.3	-170	161.3	0	0	113.5	Q252 R253	Q252-M256 PolarHBondContact O-N 3.32Å; R253-M256 PolarHBondContact O-N 3.43Å
257	E	51.1	Low	52.3	Low	168 Å²	168	99.7 Å²	99.7	79%	0.785	52%	0.523	S	S	*	.	H	α-helix	trans	-88	-23.8	-171.8	-63.2	-171.1	141.6	0	0	114	R253	R253-E257 PolarHBondContact O-N 3.15Å
258	M	47.7	Very low	53.7	Low	134 Å²	134	99.6 Å²	99.6	66%	0.66	52%	0.517	S	S	*	.			trans	-100.9	99.1	-179	-76.8	-69.6	174.7	0	0	113.2	P260	M258-P260 VanDerWaalsContact O-CD 3.29Å; M258-P260 WeakPolarHBondContact O-CD 3.42Å
259	K	54.5	Low	54.8	Low	118 Å²	118	97.8 Å²	97.8	51%	0.513	51%	0.514	S	S	.	.			trans	-114.1	61.2	165.9	-64.1	172.4	-173.2	163.4	0	111.1	F261 S269 F270	K259-F261 PolarHBondContact O-N 3.16Å; K259-S269 WeakPolarHBondContact O-CB 3.47Å; K259-F270 CarbonylContact C-O 3.53Å
260	P	56	Low	56.2	Low	86 Å²	86	94.6 Å²	94.6	56%	0.558	50%	0.495	S	S	*	.			trans	-69.5	-3.5	-163.5	30.2	-38.4	0	0	0	115.4	M258	M258-P260 VanDerWaalsContact O-CD 3.29Å; M258-P260 WeakPolarHBondContact O-CD 3.42Å
261	F	63.9	Low	57	Low	61 Å²	61	93.9 Å²	93.9	27%	0.268	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	85.2	179	-53.4	-70.2	0	0	0	110.2	K259 S269 F270 K273 F276	K259-F261 PolarHBondContact O-N 3.16Å; F261-S269 WeakPolarHBondContact O-CA 3.38Å; F261-F270 HydrophobicContact CB-CB 4.45Å; F261-F270 WeakPolarHBondContact CD2-O 3.42Å; F261-F270 PolarHBondContact N-O 3.46Å; F261-F270 PolarHBondContact O-N 3.2Å; F261-K273 HydrophobicContact CD1-CB 4.18Å; F261-K273 HydrophobicContact CD1-CG 4.02Å; F261-K273 HydrophobicContact CD2-CB 4.17Å; F261-K273 HydrophobicContact CE1-CB 3.85Å; F261-K273 HydrophobicContact CE1-CD 3.93Å; F261-K273 HydrophobicContact CE1-CG 3.78Å; F261-K273 HydrophobicContact CE2-CB 3.83Å; F261-K273 HydrophobicContact CG-CB 4.34Å; F261-K273 HydrophobicContact CZ-CB 3.67Å; F261-K273 HydrophobicContact CZ-CD 4.3Å; F261-K273 HydrophobicContact CZ-CG 4.13Å; F261-F276 HydrophobicContact CB-CB 3.57Å; F261-F276 HydrophobicContact CB-CD1 4.2Å; F261-F276 HydrophobicContact CB-CD2 3.85Å; F261-F276 HydrophobicContact CB-CG 3.61Å; F261-F276 HydrophobicContact CG-CB 4.32Å; F261-F276 WeakPolarHBondContact O-CD2 3.48Å
262	E	63.8	Low	58.1	Low	114 Å²	114	91.8 Å²	91.8	53%	0.533	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.6	178.5	-172.8	161.3	141.8	0	0	113.4	S264 K268 S269 F276	E262-S264 PolarHBondContact O-N 2.81Å; E262-K268 WeakPolarHBondContact CA-O 3.38Å; E262-S269 PolarHBondContact OE2-OG 3.45Å; E262-F276 WeakPolarHBondContact O-CE2 2.87Å
263	C	73.1	Confident	59.2	Low	5 Å²	5	93.9 Å²	93.9	3%	0.034	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	105.5	174.6	-176	0	0	0	0	110.9	E265 C266 G267 K268 F276 H279	C263-E265 PolarHBondContact O-N 3.23Å; C263-E265 VanDerWaalsContact O-N 3.11Å; C263-C266 PolarHBondContact O-N 2.61Å; C263-G267 PolarHBondContact O-N 3.08Å; C263-K268 PolarHBondContact N-O 3.45Å; C263-F276 HydrophobicContact CB-CE2 4.11Å; C263-H279 WeakPolarHBondContact CB-NE2 3.46Å
264	S	68.3	Low	60.6	Low	122 Å²	122	92 Å²	92	85%	0.853	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-27	175.3	48.2	0	0	0	0	114.5	E262	E262-S264 PolarHBondContact O-N 2.81Å
265	E	65.9	Low	61.9	Low	121 Å²	121	95 Å²	95	57%	0.565	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.6	179.3	-64.3	-177.6	-157.6	0	0	114.2	C263 H283	C263-E265 PolarHBondContact O-N 3.23Å; C263-E265 VanDerWaalsContact O-N 3.11Å; E265-H283 VanDerWaalsContact OE2-CB 3.23Å; E265-H283 WeakPolarHBondContact OE2-CB 3.47Å; E265-H283 IonicContact OE2-CE1 2.71Å; E265-H283 PolarHBondContact OE2-CE1 3.23Å; E265-H283 IonicContact OE2-CG 3.57Å; E265-H283 IonicContact OE2-ND1 3.55Å
266	C	71.8	Confident	63.3	Low	45 Å²	45	92.4 Å²	92.4	30%	0.304	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.8	15.9	-180	77.1	0	0	0	0	117.5	C263 K268 H279 H283	C263-C266 PolarHBondContact O-N 2.61Å; C266-K268 VanDerWaalsContact C-N 3.27Å; C266-K268 PolarHBondContact O-N 2.84Å; C266-H279 PolarHBondContact SG-CE1 3.1Å; C266-H279 PolarHBondContact SG-NE2 3.44Å; C266-H283 VanDerWaalsContact CB-NE2 3.3Å; C266-H283 WeakPolarHBondContact CB-NE2 3.47Å; C266-H283 PolarHBondContact SG-NE2 3.35Å; C266-H283 VanDerWaalsContact SG-NE2 3.39Å
267	G	69.1	Low	64.6	Low	49 Å²	49	88.2 Å²	88.2	51%	0.505	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	28.6	173.7	0	0	0	0	0	114.5	C263	C263-G267 PolarHBondContact O-N 3.08Å
268	K	68.9	Low	65.5	Low	115 Å²	115	82.9 Å²	82.9	50%	0.5	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.7	-179.1	-71.9	-179	-170.6	166.8	0	111	E262 C263 C266 F270	E262-K268 WeakPolarHBondContact CA-O 3.38Å; C263-K268 PolarHBondContact N-O 3.45Å; C266-K268 VanDerWaalsContact C-N 3.27Å; C266-K268 PolarHBondContact O-N 2.84Å; K268-F270 HydrophobicContact CB-CE2 3.64Å; K268-F270 HydrophobicContact CB-CZ 4.09Å; K268-F270 VanDerWaalsContact O-CD2 3.26Å; K268-F270 WeakPolarHBondContact O-CD2 3.49Å; K268-F270 WeakPolarHBondContact O-CE2 3.29Å
269	S	63.8	Low	66.7	Low	45 Å²	45	77.8 Å²	77.8	32%	0.315	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.2	-178.8	-14.6	0	0	0	0	111.2	K259 F261 E262	K259-S269 WeakPolarHBondContact O-CB 3.47Å; F261-S269 WeakPolarHBondContact O-CA 3.38Å; E262-S269 PolarHBondContact OE2-OG 3.45Å
270	F	73.5	Confident	67.4	Low	51 Å²	51	75.7 Å²	75.7	22%	0.224	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.4	-175.2	-62	-101.3	0	0	0	111.3	K259 F261 K268 K275 F276 H279	K259-F270 CarbonylContact C-O 3.53Å; F261-F270 HydrophobicContact CB-CB 4.45Å; F261-F270 WeakPolarHBondContact CD2-O 3.42Å; F261-F270 PolarHBondContact N-O 3.46Å; F261-F270 PolarHBondContact O-N 3.2Å; K268-F270 HydrophobicContact CB-CE2 3.64Å; K268-F270 HydrophobicContact CB-CZ 4.09Å; K268-F270 VanDerWaalsContact O-CD2 3.26Å; K268-F270 WeakPolarHBondContact O-CD2 3.49Å; K268-F270 WeakPolarHBondContact O-CE2 3.29Å; F270-K275 HydrophobicContact CD1-CB 3.95Å; F270-F276 HydrophobicContact CB-CB 4.18Å; F270-F276 HydrophobicContact CD2-CB 4.29Å; F270-F276 HydrophobicContact CD2-CD2 4.13Å; F270-F276 HydrophobicContact CG-CB 4.33Å; F270-H279 HydrophobicContact CE1-CB 4.19Å; F270-H279 HydrophobicContact CE2-CB 4.07Å; F270-H279 AromaticContact CE2-CD2 3.14Å; F270-H279 WeakPolarHBondContact CE2-CD2 3.32Å; F270-H279 AromaticContact CE2-CG 3.74Å; F270-H279 AromaticContact CE2-NE2 3.85Å; F270-H279 HydrophobicContact CZ-CB 3.64Å; F270-H279 AromaticContact CZ-CD2 3.35Å; F270-H279 WeakPolarHBondContact CZ-CD2 3.44Å; F270-H279 AromaticContact CZ-CG 3.46Å; F270-H279 VanDerWaalsContact CZ-CG 3.46Å
271	C	55.6	Low	68.4	Low	68 Å²	68	74 Å²	74	46%	0.459	39%	0.388	S	S	.	.	S	Bend	trans	-78.2	-14.7	176.2	57.1	0	0	0	0	114.5
272	K	66.3	Low	68.6	Low	122 Å²	122	74.8 Å²	74.8	53%	0.53	41%	0.406	S	S	.	.	S	Bend	trans	-133	124.6	-177.5	-65.4	-175	-179.8	-177	0	111.5	S274 K275 F276	K272-S274 PolarHBondContact O-N 3.04Å; K272-S274 VanDerWaalsContact O-N 3.13Å; K272-K275 HydrophobicContact CB-CG 4.32Å; K272-K275 PolarHBondContact O-N 3.48Å; K272-F276 PolarHBondContact O-N 3.1Å
273	K	64.1	Low	68.8	Low	134 Å²	134	73.7 Å²	73.7	58%	0.583	40%	0.4	S	S	*	.	H	α-helix	trans	-53.1	-35.8	-178.9	-162.7	174.3	-175.8	176.4	0	112.9	F261 K275 F276 I277	F261-K273 HydrophobicContact CD1-CB 4.18Å; F261-K273 HydrophobicContact CD1-CG 4.02Å; F261-K273 HydrophobicContact CD2-CB 4.17Å; F261-K273 HydrophobicContact CE1-CB 3.85Å; F261-K273 HydrophobicContact CE1-CD 3.93Å; F261-K273 HydrophobicContact CE1-CG 3.78Å; F261-K273 HydrophobicContact CE2-CB 3.83Å; F261-K273 HydrophobicContact CG-CB 4.34Å; F261-K273 HydrophobicContact CZ-CB 3.67Å; F261-K273 HydrophobicContact CZ-CD 4.3Å; F261-K273 HydrophobicContact CZ-CG 4.13Å; K273-K275 PolarHBondContact O-N 2.99Å; K273-F276 WeakPolarHBondContact O-CB 3.4Å; K273-F276 PolarHBondContact O-N 2.84Å; K273-I277 HydrophobicContact CG-CG1 4.39Å; K273-I277 WeakPolarHBondContact O-CG1 3.35Å; K273-I277 PolarHBondContact O-N 2.83Å
274	S	67.6	Low	68.5	Low	74 Å²	74	76.9 Å²	76.9	52%	0.517	42%	0.42	S	S	.	.	H	α-helix	trans	-62.7	-39.4	176.3	55.1	0	0	0	0	113.5	K272 I278	K272-S274 PolarHBondContact O-N 3.04Å; K272-S274 VanDerWaalsContact O-N 3.13Å; S274-I278 WeakPolarHBondContact O-CB 3.45Å; S274-I278 WeakPolarHBondContact O-CD1 3.29Å; S274-I278 WeakPolarHBondContact O-CG1 3.3Å; S274-I278 PolarHBondContact O-N 3.38Å; S274-I278 VanDerWaalsContact O-N 3.13Å
275	K	70	Confident	68.5	Low	129 Å²	129	73 Å²	73	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-71.4	-37.7	175.3	-61.3	-69.6	-173.9	175.1	0	111.1	F270 K272 K273 I278 H279	F270-K275 HydrophobicContact CD1-CB 3.95Å; K272-K275 HydrophobicContact CB-CG 4.32Å; K272-K275 PolarHBondContact O-N 3.48Å; K273-K275 PolarHBondContact O-N 2.99Å; K275-I278 PolarHBondContact O-N 3.38Å; K275-H279 WeakPolarHBondContact O-CB 3.23Å; K275-H279 PolarHBondContact O-N 3.27Å
276	F	72.8	Confident	68.5	Low	33 Å²	33	71.6 Å²	71.6	15%	0.145	39%	0.393	C	S	.	.	H	α-helix	trans	-61.3	-51	173.3	171.5	-100.4	0	0	0	112.7	F261 E262 C263 F270 K272 K273 I278 H279 Q280	F261-F276 HydrophobicContact CB-CB 3.57Å; F261-F276 HydrophobicContact CB-CD1 4.2Å; F261-F276 HydrophobicContact CB-CD2 3.85Å; F261-F276 HydrophobicContact CB-CG 3.61Å; F261-F276 HydrophobicContact CG-CB 4.32Å; F261-F276 WeakPolarHBondContact O-CD2 3.48Å; E262-F276 WeakPolarHBondContact O-CE2 2.87Å; C263-F276 HydrophobicContact CB-CE2 4.11Å; F270-F276 HydrophobicContact CB-CB 4.18Å; F270-F276 HydrophobicContact CD2-CB 4.29Å; F270-F276 HydrophobicContact CD2-CD2 4.13Å; F270-F276 HydrophobicContact CG-CB 4.33Å; K272-F276 PolarHBondContact O-N 3.1Å; K273-F276 WeakPolarHBondContact O-CB 3.4Å; K273-F276 PolarHBondContact O-N 2.84Å; F276-I278 VanDerWaalsContact C-N 3.32Å; F276-I278 PolarHBondContact O-N 2.96Å; F276-H279 CarbonylContact O-C 3.16Å; F276-H279 WeakPolarHBondContact O-CA 3.3Å; F276-H279 WeakPolarHBondContact O-CB 3.1Å; F276-H279 PolarHBondContact O-N 3.38Å; F276-Q280 PolarHBondContact O-N 3.4Å
277	I	69.9	Low	68.7	Low	58 Å²	58	75.4 Å²	75.4	30%	0.297	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-40	177.9	-65.3	-63.9	0	0	0	111.2	K273 H279 Q280 R281	K273-I277 HydrophobicContact CG-CG1 4.39Å; K273-I277 WeakPolarHBondContact O-CG1 3.35Å; K273-I277 PolarHBondContact O-N 2.83Å; I277-H279 PolarHBondContact O-N 2.95Å; I277-Q280 PolarHBondContact O-N 2.93Å; I277-R281 WeakPolarHBondContact O-CG 3.41Å; I277-R281 PolarHBondContact O-N 3.29Å; I277-R281 VanDerWaalsContact O-N 3.13Å
278	I	69.4	Low	68.9	Low	56 Å²	56	76.6 Å²	76.6	29%	0.287	40%	0.403	S	S	.	.	H	α-helix	trans	-61.1	-34.4	173.5	-74.6	169.7	0	0	0	111.9	S274 K275 F276 Q300	S274-I278 WeakPolarHBondContact O-CB 3.45Å; S274-I278 WeakPolarHBondContact O-CD1 3.29Å; S274-I278 WeakPolarHBondContact O-CG1 3.3Å; S274-I278 PolarHBondContact O-N 3.38Å; S274-I278 VanDerWaalsContact O-N 3.13Å; K275-I278 PolarHBondContact O-N 3.38Å; F276-I278 VanDerWaalsContact C-N 3.32Å; F276-I278 PolarHBondContact O-N 2.96Å; I278-Q300 HydrophobicContact CD1-CG 4.35Å; I278-Q300 HydrophobicContact CG1-CG 4.33Å; I278-Q300 HydrophobicContact CG2-CG 4.04Å
279	H	73	Confident	69.2	Low	28 Å²	28	74.9 Å²	74.9	13%	0.13	39%	0.394	C	S	.	.	H	α-helix	trans	-75.5	-41.2	175.7	167.6	49.9	0	0	0	112.7	C263 C266 F270 K275 F276 I277 R281 A282 H283	C263-H279 WeakPolarHBondContact CB-NE2 3.46Å; C266-H279 PolarHBondContact SG-CE1 3.1Å; C266-H279 PolarHBondContact SG-NE2 3.44Å; F270-H279 HydrophobicContact CE1-CB 4.19Å; F270-H279 HydrophobicContact CE2-CB 4.07Å; F270-H279 AromaticContact CE2-CD2 3.14Å; F270-H279 WeakPolarHBondContact CE2-CD2 3.32Å; F270-H279 AromaticContact CE2-CG 3.74Å; F270-H279 AromaticContact CE2-NE2 3.85Å; F270-H279 HydrophobicContact CZ-CB 3.64Å; F270-H279 AromaticContact CZ-CD2 3.35Å; F270-H279 WeakPolarHBondContact CZ-CD2 3.44Å; F270-H279 AromaticContact CZ-CG 3.46Å; F270-H279 VanDerWaalsContact CZ-CG 3.46Å; K275-H279 WeakPolarHBondContact O-CB 3.23Å; K275-H279 PolarHBondContact O-N 3.27Å; F276-H279 CarbonylContact O-C 3.16Å; F276-H279 WeakPolarHBondContact O-CA 3.3Å; F276-H279 WeakPolarHBondContact O-CB 3.1Å; F276-H279 PolarHBondContact O-N 3.38Å; I277-H279 PolarHBondContact O-N 2.95Å; H279-R281 VanDerWaalsContact C-N 3.27Å; H279-R281 PolarHBondContact O-N 3.25Å; H279-A282 WeakPolarHBondContact O-CA 3.22Å; H279-A282 WeakPolarHBondContact O-CB 3.31Å; H279-A282 PolarHBondContact O-N 3.25Å; H279-H283 AromaticContact CE1-CD2 3.78Å
280	Q	68.4	Low	69.2	Low	73 Å²	73	77.8 Å²	77.8	34%	0.341	40%	0.403	S	S	.	.	H	α-helix	trans	-57.8	-40.3	176.3	-170.4	176	7	0	0	111.5	F276 I277 A282 H283 T284	F276-Q280 PolarHBondContact O-N 3.4Å; I277-Q280 PolarHBondContact O-N 2.93Å; Q280-A282 PolarHBondContact O-N 3.29Å; Q280-A282 VanDerWaalsContact O-N 3.13Å; Q280-H283 WeakPolarHBondContact O-CB 3.39Å; Q280-H283 PolarHBondContact O-N 3.1Å; Q280-T284 HydrophobicContact CG-CG2 4.4Å; Q280-T284 PolarHBondContact O-N 3.04Å
281	R	78.3	Confident	69.1	Low	50 Å²	50	75.5 Å²	75.5	19%	0.189	39%	0.393	C	S	.	.	H	α-helix	trans	-60.1	-19	172	-68	-179.3	179.8	158.3	6.1	114.8	I277 H279 H283 G285 E286 S299	I277-R281 WeakPolarHBondContact O-CG 3.41Å; I277-R281 PolarHBondContact O-N 3.29Å; I277-R281 VanDerWaalsContact O-N 3.13Å; H279-R281 VanDerWaalsContact C-N 3.27Å; H279-R281 PolarHBondContact O-N 3.25Å; R281-H283 VanDerWaalsContact C-N 3.33Å; R281-G285 WeakPolarHBondContact O-CA 3.35Å; R281-G285 PolarHBondContact O-N 3.29Å; R281-G285 VanDerWaalsContact O-N 3.13Å; R281-E286 HydrophobicContact CB-CB 4.15Å; R281-E286 HydrophobicContact CG-CB 3.83Å; R281-E286 IonicContact NE-OE2 3.93Å; R281-E286 PolarHBondContact O-N 2.7Å; R281-S299 PolarHBondContact NH1-O 3.36Å
282	A	66.4	Low	69.8	Low	78 Å²	78	79.8 Å²	79.8	65%	0.645	41%	0.411	S	S	*	.	H	α-helix	trans	-77.7	-20.6	173.4	0	0	0	0	0	112.7	H279 Q280	H279-A282 WeakPolarHBondContact O-CA 3.22Å; H279-A282 WeakPolarHBondContact O-CB 3.31Å; H279-A282 PolarHBondContact O-N 3.25Å; Q280-A282 PolarHBondContact O-N 3.29Å; Q280-A282 VanDerWaalsContact O-N 3.13Å
283	H	68.1	Low	69.8	Low	92 Å²	92	78.8 Å²	78.8	43%	0.426	42%	0.415	S	S	.	.	H	α-helix	trans	-90.3	-53.1	172.2	-63.3	-69.7	0	0	0	111.5	E265 C266 H279 Q280 R281 G285	E265-H283 VanDerWaalsContact OE2-CB 3.23Å; E265-H283 WeakPolarHBondContact OE2-CB 3.47Å; E265-H283 IonicContact OE2-CE1 2.71Å; E265-H283 PolarHBondContact OE2-CE1 3.23Å; E265-H283 IonicContact OE2-CG 3.57Å; E265-H283 IonicContact OE2-ND1 3.55Å; C266-H283 VanDerWaalsContact CB-NE2 3.3Å; C266-H283 WeakPolarHBondContact CB-NE2 3.47Å; C266-H283 PolarHBondContact SG-NE2 3.35Å; C266-H283 VanDerWaalsContact SG-NE2 3.39Å; H279-H283 AromaticContact CE1-CD2 3.78Å; Q280-H283 WeakPolarHBondContact O-CB 3.39Å; Q280-H283 PolarHBondContact O-N 3.1Å; R281-H283 VanDerWaalsContact C-N 3.33Å; H283-G285 PolarHBondContact O-N 2.7Å; H283-G285 VanDerWaalsContact O-N 3.17Å
284	T	67.5	Low	69.8	Low	71 Å²	71	74.8 Å²	74.8	44%	0.436	40%	0.404	S	S	.	.	H	α-helix	trans	-67.7	-15.6	179.8	65.9	0	0	0	0	113.3	Q280 E286	Q280-T284 HydrophobicContact CG-CG2 4.4Å; Q280-T284 PolarHBondContact O-N 3.04Å; T284-E286 WeakPolarHBondContact CB-OE1 3.2Å; T284-E286 PolarHBondContact O-N 3.36Å; T284-E286 VanDerWaalsContact OG1-CD 3.3Å; T284-E286 WeakPolarHBondContact OG1-CG 3.48Å; T284-E286 PolarHBondContact OG1-OE1 3.04Å
285	G	67.5	Low	69.9	Low	42 Å²	42	73.5 Å²	73.5	43%	0.433	40%	0.401	S	S	.	.			trans	76.4	1.6	179.8	0	0	0	0	0	114.5	R281 H283 K287	R281-G285 WeakPolarHBondContact O-CA 3.35Å; R281-G285 PolarHBondContact O-N 3.29Å; R281-G285 VanDerWaalsContact O-N 3.13Å; H283-G285 PolarHBondContact O-N 2.7Å; H283-G285 VanDerWaalsContact O-N 3.17Å; G285-K287 WeakPolarHBondContact O-CE 3.41Å
286	E	67	Low	69.7	Low	91 Å²	91	72.9 Å²	72.9	43%	0.425	40%	0.399	S	S	.	.			trans	-53.2	132	178.5	-84	167.6	-114	0	0	113.4	R281 T284 S299	R281-E286 HydrophobicContact CB-CB 4.15Å; R281-E286 HydrophobicContact CG-CB 3.83Å; R281-E286 IonicContact NE-OE2 3.93Å; R281-E286 PolarHBondContact O-N 2.7Å; T284-E286 WeakPolarHBondContact CB-OE1 3.2Å; T284-E286 PolarHBondContact O-N 3.36Å; T284-E286 VanDerWaalsContact OG1-CD 3.3Å; T284-E286 WeakPolarHBondContact OG1-CG 3.48Å; T284-E286 PolarHBondContact OG1-OE1 3.04Å; E286-S299 WeakPolarHBondContact O-CB 3.41Å
287	K	74.7	Confident	69.6	Low	124 Å²	124	73.5 Å²	73.5	54%	0.539	41%	0.408	S	S	.	.			trans	-136.1	74	179	-70.6	172.2	-144.9	162.2	0	111.4	G285 Y289 S297 F298	G285-K287 WeakPolarHBondContact O-CE 3.41Å; K287-Y289 PolarHBondContact O-N 2.92Å; K287-Y289 VanDerWaalsContact O-N 3.09Å; K287-S297 VanDerWaalsContact CD-O 3.26Å; K287-S297 WeakPolarHBondContact CD-O 3.4Å; K287-S297 VanDerWaalsContact O-CB 3.24Å; K287-S297 WeakPolarHBondContact O-CB 3.5Å; K287-F298 CarbonylContact C-O 3.56Å; K287-F298 VanDerWaalsContact CA-O 3.24Å; K287-F298 WeakPolarHBondContact CA-O 3.26Å
288	P	74.8	Confident	70	Confident	74 Å²	74	73 Å²	73	48%	0.481	40%	0.403	S	S	.	.			trans	-68.7	-8	-169.9	-21.6	35.4	0	0	0	116
289	Y	74.4	Confident	70	Confident	80 Å²	80	72 Å²	72	31%	0.314	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	93	-173.4	-56.6	-76.6	0	0	0	110.8	K287 S297 F298 K301	K287-Y289 PolarHBondContact O-N 2.92Å; K287-Y289 VanDerWaalsContact O-N 3.09Å; Y289-S297 CarbonylContact O-C 3.08Å; Y289-S297 WeakPolarHBondContact O-CA 3.38Å; Y289-F298 WeakPolarHBondContact CD2-O 3.37Å; Y289-F298 PolarHBondContact N-O 3.12Å; Y289-F298 PolarHBondContact O-N 3.37Å; Y289-K301 HydrophobicContact CD1-CB 3.99Å; Y289-K301 HydrophobicContact CD1-CG 4.34Å; Y289-K301 HydrophobicContact CE1-CB 3.83Å; Y289-K301 HydrophobicContact CE1-CG 4.35Å; Y289-K301 HydrophobicContact CG-CB 4.41Å
290	E	64.4	Low	70.1	Confident	106 Å²	106	74.3 Å²	74.3	50%	0.495	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	148.1	179.8	-167.1	159.9	144.5	0	0	114.1	G295 S297 L304	E290-G295 WeakPolarHBondContact OE1-CA 3.41Å; E290-S297 PolarHBondContact OE2-OG 2.73Å; E290-L304 VanDerWaalsContact O-CD2 3.27Å; E290-L304 WeakPolarHBondContact O-CD2 3.43Å
291	C	70.8	Confident	70.2	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.014	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	99.9	172.9	-170	0	0	0	0	111.2	V293 C294 G295 K296 F298 L304 H307 H311	C291-V293 PolarHBondContact O-N 3.47Å; C291-C294 PolarHBondContact O-N 2.96Å; C291-G295 PolarHBondContact O-N 2.89Å; C291-K296 HydrophobicContact CB-CB 4.41Å; C291-K296 VanDerWaalsContact CB-O 3.28Å; C291-K296 WeakPolarHBondContact CB-O 3.12Å; C291-K296 PolarHBondContact N-O 3.5Å; C291-F298 HydrophobicContact CB-CE2 4.42Å; C291-L304 HydrophobicContact CB-CD1 3.5Å; C291-H307 VanDerWaalsContact SG-CD2 3.6Å; C291-H311 PolarHBondContact SG-NE2 2.88Å
292	N	69.4	Low	69.7	Low	159 Å²	159	77.6 Å²	77.6	85%	0.85	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-14.3	-179.9	-53.2	11.5	0	0	0	115.2
293	V	66.7	Low	69.7	Low	100 Å²	100	76.5 Å²	76.5	61%	0.606	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-22.6	178.8	-175.4	0	0	0	0	112.7	C291 H311	C291-V293 PolarHBondContact O-N 3.47Å; V293-H311 HydrophobicContact CG1-CB 4.06Å
294	C	64.9	Low	69.9	Low	51 Å²	51	73.2 Å²	73.2	35%	0.345	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.6	16.1	-175.1	71.7	0	0	0	0	116.6	C291 K296 H307 H311	C291-C294 PolarHBondContact O-N 2.96Å; C294-K296 PolarHBondContact O-N 3.32Å; C294-K296 VanDerWaalsContact O-N 3.16Å; C294-H307 PolarHBondContact SG-NE2 3.44Å; C294-H311 PolarHBondContact SG-CE1 3.24Å; C294-H311 PolarHBondContact SG-NE2 2.96Å; C294-H311 VanDerWaalsContact SG-NE2 3.4Å
295	G	68.8	Low	70	Confident	46 Å²	46	72.9 Å²	72.9	47%	0.474	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	17.9	175.1	0	0	0	0	0	115.2	E290 C291	E290-G295 WeakPolarHBondContact OE1-CA 3.41Å; C291-G295 PolarHBondContact O-N 2.89Å
296	K	66.5	Low	69.8	Low	116 Å²	116	73.1 Å²	73.1	50%	0.504	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.6	179.4	-72.2	178.4	-170.7	161.9	0	110.5	C291 C294 F298	C291-K296 HydrophobicContact CB-CB 4.41Å; C291-K296 VanDerWaalsContact CB-O 3.28Å; C291-K296 WeakPolarHBondContact CB-O 3.12Å; C291-K296 PolarHBondContact N-O 3.5Å; C294-K296 PolarHBondContact O-N 3.32Å; C294-K296 VanDerWaalsContact O-N 3.16Å; K296-F298 HydrophobicContact CB-CE2 3.75Å; K296-F298 HydrophobicContact CB-CZ 4.15Å; K296-F298 VanDerWaalsContact O-CD2 3.28Å; K296-F298 WeakPolarHBondContact O-CD2 3.44Å; K296-F298 WeakPolarHBondContact O-CE2 3.24Å
297	S	71	Confident	69.8	Low	47 Å²	47	70 Å²	70	33%	0.329	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.2	178.6	-16.1	0	0	0	0	112.1	K287 Y289 E290	K287-S297 VanDerWaalsContact CD-O 3.26Å; K287-S297 WeakPolarHBondContact CD-O 3.4Å; K287-S297 VanDerWaalsContact O-CB 3.24Å; K287-S297 WeakPolarHBondContact O-CB 3.5Å; Y289-S297 CarbonylContact O-C 3.08Å; Y289-S297 WeakPolarHBondContact O-CA 3.38Å; E290-S297 PolarHBondContact OE2-OG 2.73Å
298	F	77.4	Confident	69.4	Low	47 Å²	47	71.2 Å²	71.2	21%	0.206	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	151.8	-176.9	-63	-96.4	0	0	0	111.5	K287 Y289 C291 K296 Q300 L304 H307	K287-F298 CarbonylContact C-O 3.56Å; K287-F298 VanDerWaalsContact CA-O 3.24Å; K287-F298 WeakPolarHBondContact CA-O 3.26Å; Y289-F298 WeakPolarHBondContact CD2-O 3.37Å; Y289-F298 PolarHBondContact N-O 3.12Å; Y289-F298 PolarHBondContact O-N 3.37Å; C291-F298 HydrophobicContact CB-CE2 4.42Å; K296-F298 HydrophobicContact CB-CE2 3.75Å; K296-F298 HydrophobicContact CB-CZ 4.15Å; K296-F298 VanDerWaalsContact O-CD2 3.28Å; K296-F298 WeakPolarHBondContact O-CD2 3.44Å; K296-F298 WeakPolarHBondContact O-CE2 3.24Å; F298-Q300 VanDerWaalsContact C-N 3.35Å; F298-L304 HydrophobicContact CB-CB 4.31Å; F298-L304 HydrophobicContact CD2-CB 4.07Å; F298-L304 HydrophobicContact CD2-CD1 3.98Å; F298-L304 HydrophobicContact CE2-CD1 4.22Å; F298-L304 HydrophobicContact CG-CB 4.31Å; F298-H307 HydrophobicContact CE1-CB 4.12Å; F298-H307 HydrophobicContact CE2-CB 4Å; F298-H307 AromaticContact CE2-CD2 3.27Å; F298-H307 WeakPolarHBondContact CE2-CD2 3.23Å; F298-H307 AromaticContact CE2-CG 3.81Å; F298-H307 HydrophobicContact CZ-CB 3.57Å; F298-H307 AromaticContact CZ-CD2 3.33Å; F298-H307 WeakPolarHBondContact CZ-CD2 3.37Å; F298-H307 AromaticContact CZ-CG 3.42Å; F298-H307 VanDerWaalsContact CZ-CG 3.42Å
299	S	70.9	Confident	69.1	Low	36 Å²	36	72.5 Å²	72.5	25%	0.252	38%	0.383	S	S	.	.	S	Bend	trans	-81.4	-10.1	179.2	55.3	0	0	0	0	114.5	R281 E286	R281-S299 PolarHBondContact NH1-O 3.36Å; E286-S299 WeakPolarHBondContact O-CB 3.41Å
300	Q	74.6	Confident	68.5	Low	76 Å²	76	71.3 Å²	71.3	36%	0.355	39%	0.387	S	S	.	.	S	Bend	trans	-138.1	142.7	-178.6	-56.6	175.9	20.8	0	0	111.5	I278 F298 G302 T303 L304	I278-Q300 HydrophobicContact CD1-CG 4.35Å; I278-Q300 HydrophobicContact CG1-CG 4.33Å; I278-Q300 HydrophobicContact CG2-CG 4.04Å; F298-Q300 VanDerWaalsContact C-N 3.35Å; Q300-G302 VanDerWaalsContact C-N 3.35Å; Q300-G302 PolarHBondContact O-N 3.14Å; Q300-T303 PolarHBondContact O-N 3.42Å; Q300-T303 PolarHBondContact O-OG1 3.42Å; Q300-T303 VanDerWaalsContact O-OG1 3.06Å; Q300-L304 PolarHBondContact O-N 3.44Å
301	K	70	Confident	68.3	Low	146 Å²	146	69.5 Å²	69.5	64%	0.635	38%	0.378	S	S	*	.	H	α-helix	trans	-60.7	-41.1	177.3	-168.6	179	179.5	-175.7	0	112.1	Y289 T303 L304 T305	Y289-K301 HydrophobicContact CD1-CB 3.99Å; Y289-K301 HydrophobicContact CD1-CG 4.34Å; Y289-K301 HydrophobicContact CE1-CB 3.83Å; Y289-K301 HydrophobicContact CE1-CG 4.35Å; Y289-K301 HydrophobicContact CG-CB 4.41Å; K301-T303 PolarHBondContact O-N 3.37Å; K301-L304 WeakPolarHBondContact O-CB 3.43Å; K301-L304 PolarHBondContact O-N 3.19Å; K301-T305 PolarHBondContact O-N 2.99Å; K301-T305 PolarHBondContact O-OG1 3.11Å
302	G	68.4	Low	67.8	Low	45 Å²	45	74.5 Å²	74.5	46%	0.464	40%	0.404	S	S	.	.	H	α-helix	trans	-63.9	-36.3	-178.7	0	0	0	0	0	114.4	Q300 T305 V306	Q300-G302 VanDerWaalsContact C-N 3.35Å; Q300-G302 PolarHBondContact O-N 3.14Å; G302-T305 PolarHBondContact O-N 3.42Å; G302-V306 WeakPolarHBondContact O-CG2 3.22Å; G302-V306 PolarHBondContact O-N 3.15Å
303	T	66.7	Low	66.9	Low	56 Å²	56	75.8 Å²	75.8	34%	0.344	41%	0.405	S	S	.	.	H	α-helix	trans	-74.3	-31.5	176.8	53.2	0	0	0	0	112.1	Q300 K301 H307	Q300-T303 PolarHBondContact O-N 3.42Å; Q300-T303 PolarHBondContact O-OG1 3.42Å; Q300-T303 VanDerWaalsContact O-OG1 3.06Å; K301-T303 PolarHBondContact O-N 3.37Å; T303-H307 WeakPolarHBondContact O-CB 3.46Å; T303-H307 PolarHBondContact O-N 3.48Å
304	L	72.3	Confident	66.3	Low	23 Å²	23	78.8 Å²	78.8	12%	0.12	41%	0.412	C	S	.	.	H	α-helix	trans	-62.6	-44.9	165.5	172.4	62.9	0	0	0	111.6	E290 C291 F298 Q300 K301 V306 H307 R308	E290-L304 VanDerWaalsContact O-CD2 3.27Å; E290-L304 WeakPolarHBondContact O-CD2 3.43Å; C291-L304 HydrophobicContact CB-CD1 3.5Å; F298-L304 HydrophobicContact CB-CB 4.31Å; F298-L304 HydrophobicContact CD2-CB 4.07Å; F298-L304 HydrophobicContact CD2-CD1 3.98Å; F298-L304 HydrophobicContact CE2-CD1 4.22Å; F298-L304 HydrophobicContact CG-CB 4.31Å; Q300-L304 PolarHBondContact O-N 3.44Å; K301-L304 WeakPolarHBondContact O-CB 3.43Å; K301-L304 PolarHBondContact O-N 3.19Å; L304-V306 PolarHBondContact O-N 3.03Å; L304-H307 CarbonylContact O-C 3.56Å; L304-H307 WeakPolarHBondContact O-CA 3.16Å; L304-H307 WeakPolarHBondContact O-CB 3.3Å; L304-H307 PolarHBondContact O-N 2.86Å; L304-H307 VanDerWaalsContact O-N 3.08Å; L304-R308 HydrophobicContact CD1-CG 4.27Å; L304-R308 PolarHBondContact O-N 3.25Å
305	T	67.7	Low	66.3	Low	63 Å²	63	80.2 Å²	80.2	39%	0.387	41%	0.413	S	S	.	.	H	α-helix	trans	-59.6	-45.7	177.6	-58.6	0	0	0	0	111.9	K301 G302 H307 R308 R309	K301-T305 PolarHBondContact O-N 2.99Å; K301-T305 PolarHBondContact O-OG1 3.11Å; G302-T305 PolarHBondContact O-N 3.42Å; T305-H307 VanDerWaalsContact C-N 3.3Å; T305-H307 PolarHBondContact O-N 3.43Å; T305-R308 PolarHBondContact O-N 2.63Å; T305-R309 PolarHBondContact O-N 2.98Å
306	V	63.7	Low	66.2	Low	47 Å²	47	82 Å²	82	29%	0.285	42%	0.415	S	S	.	.	H	α-helix	trans	-59.5	-40.6	172.7	169	0	0	0	0	111.4	G302 L304 R309 Q328	G302-V306 WeakPolarHBondContact O-CG2 3.22Å; G302-V306 PolarHBondContact O-N 3.15Å; L304-V306 PolarHBondContact O-N 3.03Å; V306-R309 WeakPolarHBondContact O-CB 3.48Å; V306-R309 PolarHBondContact O-N 3.49Å; V306-Q328 HydrophobicContact CG1-CG 3.9Å
307	H	67.7	Low	66.3	Low	25 Å²	25	80 Å²	80	12%	0.116	41%	0.405	C	S	.	.	H	α-helix	trans	-68.5	-32.5	176.9	178	43.1	0	0	0	113.4	C291 C294 F298 T303 L304 T305 R309 S310 H311	C291-H307 VanDerWaalsContact SG-CD2 3.6Å; C294-H307 PolarHBondContact SG-NE2 3.44Å; F298-H307 HydrophobicContact CE1-CB 4.12Å; F298-H307 HydrophobicContact CE2-CB 4Å; F298-H307 AromaticContact CE2-CD2 3.27Å; F298-H307 WeakPolarHBondContact CE2-CD2 3.23Å; F298-H307 AromaticContact CE2-CG 3.81Å; F298-H307 HydrophobicContact CZ-CB 3.57Å; F298-H307 AromaticContact CZ-CD2 3.33Å; F298-H307 WeakPolarHBondContact CZ-CD2 3.37Å; F298-H307 AromaticContact CZ-CG 3.42Å; F298-H307 VanDerWaalsContact CZ-CG 3.42Å; T303-H307 WeakPolarHBondContact O-CB 3.46Å; T303-H307 PolarHBondContact O-N 3.48Å; L304-H307 CarbonylContact O-C 3.56Å; L304-H307 WeakPolarHBondContact O-CA 3.16Å; L304-H307 WeakPolarHBondContact O-CB 3.3Å; L304-H307 PolarHBondContact O-N 2.86Å; L304-H307 VanDerWaalsContact O-N 3.08Å; T305-H307 VanDerWaalsContact C-N 3.3Å; T305-H307 PolarHBondContact O-N 3.43Å; H307-R309 PolarHBondContact O-N 3.11Å; H307-S310 PolarHBondContact CE1-OG 3.06Å; H307-S310 PolarHBondContact ND1-OG 3.05Å; H307-S310 WeakPolarHBondContact O-CB 3.25Å; H307-S310 PolarHBondContact O-N 2.88Å; H307-S310 PolarHBondContact O-OG 2.84Å; H307-H311 AromaticContact CD2-NE2 3.84Å; H307-H311 AromaticContact CE1-CE1 3.6Å; H307-H311 AromaticContact CE1-NE2 3.19Å; H307-H311 PolarHBondContact CE1-NE2 3.35Å; H307-H311 AromaticContact NE2-CE1 3.74Å; H307-H311 AromaticContact NE2-NE2 3.04Å; H307-H311 PolarHBondContact NE2-NE2 3.39Å
308	R	66.6	Low	66.2	Low	151 Å²	151	83.8 Å²	83.8	57%	0.57	42%	0.416	S	S	*	.	H	α-helix	trans	-61.2	-33.4	173.4	-72.3	-178.2	69	-137.4	-0.6	111.8	L304 T305 S310 H311 L312	L304-R308 HydrophobicContact CD1-CG 4.27Å; L304-R308 PolarHBondContact O-N 3.25Å; T305-R308 PolarHBondContact O-N 2.63Å; R308-S310 PolarHBondContact O-N 2.95Å; R308-H311 PolarHBondContact O-N 3.11Å; R308-L312 PolarHBondContact O-N 3Å
309	R	68.8	Low	66	Low	100 Å²	100	81.6 Å²	81.6	38%	0.377	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	7.9	169.1	-55.3	179	-179.4	177.8	-2.7	114.7	T305 V306 H307 C327	T305-R309 PolarHBondContact O-N 2.98Å; V306-R309 WeakPolarHBondContact O-CB 3.48Å; V306-R309 PolarHBondContact O-N 3.49Å; H307-R309 PolarHBondContact O-N 3.11Å; R309-C327 HydrophobicContact CB-CB 4.29Å; R309-C327 PolarHBondContact O-SG 3.46Å
310	S	60.3	Low	66	Low	56 Å²	56	86.8 Å²	86.8	39%	0.392	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-3	165.6	74.9	0	0	0	0	114.1	H307 R308	H307-S310 PolarHBondContact CE1-OG 3.06Å; H307-S310 PolarHBondContact ND1-OG 3.05Å; H307-S310 WeakPolarHBondContact O-CB 3.25Å; H307-S310 PolarHBondContact O-N 2.88Å; H307-S310 PolarHBondContact O-OG 2.84Å; R308-S310 PolarHBondContact O-N 2.95Å
311	H	61.8	Low	65.7	Low	68 Å²	68	89 Å²	89	32%	0.315	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-22.6	173.7	-59	-57.5	0	0	0	113	C291 V293 C294 H307 R308	C291-H311 PolarHBondContact SG-NE2 2.88Å; V293-H311 HydrophobicContact CG1-CB 4.06Å; C294-H311 PolarHBondContact SG-CE1 3.24Å; C294-H311 PolarHBondContact SG-NE2 2.96Å; C294-H311 VanDerWaalsContact SG-NE2 3.4Å; H307-H311 AromaticContact CD2-NE2 3.84Å; H307-H311 AromaticContact CE1-CE1 3.6Å; H307-H311 AromaticContact CE1-NE2 3.19Å; H307-H311 PolarHBondContact CE1-NE2 3.35Å; H307-H311 AromaticContact NE2-CE1 3.74Å; H307-H311 AromaticContact NE2-NE2 3.04Å; H307-H311 PolarHBondContact NE2-NE2 3.39Å; R308-H311 PolarHBondContact O-N 3.11Å
312	L	59.6	Low	65.4	Low	106 Å²	106	84.4 Å²	84.4	56%	0.555	43%	0.428	S	S	*	.	S	Bend	trans	-78.2	138.9	165.7	-59.9	171.3	0	0	0	108.7	R308 E314	R308-L312 PolarHBondContact O-N 3Å; L312-E314 PolarHBondContact O-N 3.35Å
313	E	51	Low	65.4	Low	187 Å²	187	84.3 Å²	84.3	87%	0.874	43%	0.427	S	S	*	.	S	Bend	trans	-70.5	-27.2	179.9	-58.3	-160.7	128	0	0	111.9	K315	E313-K315 PolarHBondContact O-N 3.43Å
314	E	53.2	Low	65.4	Low	163 Å²	163	87 Å²	87	76%	0.762	43%	0.434	S	S	*	.			trans	-66	96.4	169.6	-66.8	-179.7	177.5	0	0	111.6	L312 P316	L312-E314 PolarHBondContact O-N 3.35Å; E314-P316 WeakPolarHBondContact O-CD 3.41Å
315	K	64.8	Low	64.9	Low	81 Å²	81	88.6 Å²	88.6	35%	0.352	44%	0.444	S	S	.	.			trans	-99.5	101.6	168.1	-70.3	178.5	-156.7	130	0	107.9	E313 Y317 T325 F326	E313-K315 PolarHBondContact O-N 3.43Å; K315-Y317 PolarHBondContact O-N 2.93Å; K315-T325 WeakPolarHBondContact CD-O 3.25Å; K315-F326 CarbonylContact C-O 3.36Å
316	P	66.6	Low	65.2	Low	82 Å²	82	87.8 Å²	87.8	53%	0.532	44%	0.435	S	S	.	.	S	Bend	trans	-62.3	-24.5	-161	-27.5	36.2	0	0	0	115.5	E314 K318	E314-P316 WeakPolarHBondContact O-CD 3.41Å; P316-K318 PolarHBondContact O-N 3.5Å
317	Y	70.3	Confident	65.2	Low	75 Å²	75	86.9 Å²	86.9	29%	0.294	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	88.8	-173.1	-53.1	-76.3	0	0	0	110.2	K315 F326 Q328 K329	K315-Y317 PolarHBondContact O-N 2.93Å; Y317-F326 WeakPolarHBondContact CB-O 3.15Å; Y317-F326 WeakPolarHBondContact CD2-O 3.35Å; Y317-F326 PolarHBondContact N-O 2.93Å; Y317-F326 WeakPolarHBondContact O-CD2 3.21Å; Y317-F326 PolarHBondContact O-N 3.28Å; Y317-Q328 VanDerWaalsContact CD2-CA 3.43Å; Y317-K329 HydrophobicContact CD1-CB 3.87Å; Y317-K329 HydrophobicContact CD1-CG 4.25Å; Y317-K329 VanDerWaalsContact CD2-N 3.3Å; Y317-K329 HydrophobicContact CE1-CB 3.71Å; Y317-K329 HydrophobicContact CE1-CG 4.24Å; Y317-K329 HydrophobicContact CG-CB 4.39Å
318	K	67.1	Low	65.2	Low	127 Å²	127	88.8 Å²	88.8	55%	0.552	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.4	176.1	-173.4	178.6	176.4	-173.5	0	111.5	P316 T325 L332	P316-K318 PolarHBondContact O-N 3.5Å; K318-T325 HydrophobicContact CB-CG2 4.01Å; K318-T325 HydrophobicContact CG-CG2 3.97Å; K318-L332 WeakPolarHBondContact O-CD2 3.5Å
319	C	74.6	Confident	65.4	Low	1 Å²	1	88.5 Å²	88.5	1%	0.007	44%	0.443	C	S	.	.			trans	-87.5	118.7	165.3	171.9	0	0	0	0	109.3	C322 G323 K324 F326 L332 H339	C319-C322 VanDerWaalsContact SG-SG 3.67Å; C319-G323 VanDerWaalsContact O-CA 3.27Å; C319-G323 WeakPolarHBondContact O-CA 3.39Å; C319-G323 PolarHBondContact O-N 3.23Å; C319-K324 WeakPolarHBondContact CB-O 3.41Å; C319-K324 PolarHBondContact N-O 3.42Å; C319-F326 HydrophobicContact CB-CE2 4.32Å; C319-L332 HydrophobicContact CB-CD1 3.62Å; C319-H339 PolarHBondContact SG-NE2 3Å
320	N	70.6	Confident	65.6	Low	145 Å²	145	89.5 Å²	89.5	78%	0.775	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-32.6	-177.4	-66	-12.9	0	0	0	112.3	C322	N320-C322 PolarHBondContact O-N 2.92Å
321	E	68.6	Low	66.1	Low	121 Å²	121	90.6 Å²	90.6	57%	0.565	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.4	-176.6	-60.7	160.5	111.4	0	0	114.3	L336 H339	E321-L336 VanDerWaalsContact OE2-CD2 3.24Å; E321-L336 WeakPolarHBondContact OE2-CD2 3.41Å; E321-H339 WeakPolarHBondContact OE1-CB 3.38Å; E321-H339 IonicContact OE2-CD2 3.44Å; E321-H339 PolarHBondContact OE2-CD2 3.28Å; E321-H339 IonicContact OE2-CG 2.63Å
322	C	64.4	Low	66.7	Low	51 Å²	51	88.5 Å²	88.5	35%	0.345	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.7	14.3	-179.1	78.2	0	0	0	0	115.8	C319 N320 K324 H335 H339	C319-C322 VanDerWaalsContact SG-SG 3.67Å; N320-C322 PolarHBondContact O-N 2.92Å; C322-K324 PolarHBondContact O-N 3.04Å; C322-K324 VanDerWaalsContact SG-CD 3.59Å; C322-H335 PolarHBondContact SG-NE2 3.33Å; C322-H339 VanDerWaalsContact SG-CE1 3.5Å; C322-H339 PolarHBondContact SG-NE2 2.85Å; C322-H339 VanDerWaalsContact SG-NE2 3.44Å
323	G	67.8	Low	67.3	Low	43 Å²	43	86.6 Å²	86.6	44%	0.443	44%	0.438	S	S	.	.			trans	69.3	-6.3	174.1	0	0	0	0	0	116.7	C319	C319-G323 VanDerWaalsContact O-CA 3.27Å; C319-G323 WeakPolarHBondContact O-CA 3.39Å; C319-G323 PolarHBondContact O-N 3.23Å
324	K	66.6	Low	68.3	Low	113 Å²	113	80.8 Å²	80.8	49%	0.491	41%	0.411	S	S	.	.			trans	-66.4	134.1	-178.6	-67.6	173	-164.3	146.4	0	111.2	C319 C322 F326	C319-K324 WeakPolarHBondContact CB-O 3.41Å; C319-K324 PolarHBondContact N-O 3.42Å; C322-K324 PolarHBondContact O-N 3.04Å; C322-K324 VanDerWaalsContact SG-CD 3.59Å; K324-F326 HydrophobicContact CB-CE2 3.72Å; K324-F326 HydrophobicContact CB-CZ 3.96Å; K324-F326 WeakPolarHBondContact O-CE2 3.31Å
325	T	61.9	Low	69.3	Low	56 Å²	56	74 Å²	74	34%	0.344	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.7	-177.4	55.3	0	0	0	0	112.3	K315 K318	K315-T325 WeakPolarHBondContact CD-O 3.25Å; K318-T325 HydrophobicContact CB-CG2 4.01Å; K318-T325 HydrophobicContact CG-CG2 3.97Å
326	F	73.4	Confident	69.5	Low	45 Å²	45	73.1 Å²	73.1	20%	0.197	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.6	-170.7	-60.6	-93.3	0	0	0	111.6	K315 Y317 C319 K324 Q328 H331 L332 H335	K315-F326 CarbonylContact C-O 3.36Å; Y317-F326 WeakPolarHBondContact CB-O 3.15Å; Y317-F326 WeakPolarHBondContact CD2-O 3.35Å; Y317-F326 PolarHBondContact N-O 2.93Å; Y317-F326 WeakPolarHBondContact O-CD2 3.21Å; Y317-F326 PolarHBondContact O-N 3.28Å; C319-F326 HydrophobicContact CB-CE2 4.32Å; K324-F326 HydrophobicContact CB-CE2 3.72Å; K324-F326 HydrophobicContact CB-CZ 3.96Å; K324-F326 WeakPolarHBondContact O-CE2 3.31Å; F326-Q328 VanDerWaalsContact C-N 3.3Å; F326-Q328 PolarHBondContact O-N 3.29Å; F326-H331 HydrophobicContact CB-CB 4.29Å; F326-H331 HydrophobicContact CD1-CB 3.91Å; F326-H331 HydrophobicContact CG-CB 4.41Å; F326-L332 HydrophobicContact CB-CB 4.43Å; F326-L332 HydrophobicContact CD2-CB 4.18Å; F326-L332 HydrophobicContact CD2-CD1 4.01Å; F326-L332 HydrophobicContact CE2-CD1 4.21Å; F326-L332 HydrophobicContact CG-CB 4.44Å; F326-H335 HydrophobicContact CE1-CB 4.07Å; F326-H335 HydrophobicContact CE2-CB 4.13Å; F326-H335 AromaticContact CE2-CD2 3.3Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.35Å; F326-H335 AromaticContact CE2-CG 3.9Å; F326-H335 HydrophobicContact CZ-CB 3.62Å; F326-H335 AromaticContact CZ-CD2 3.25Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.32Å; F326-H335 AromaticContact CZ-CG 3.42Å; F326-H335 VanDerWaalsContact CZ-CG 3.42Å
327	C	63.3	Low	70	Confident	28 Å²	28	72.2 Å²	72.2	19%	0.189	36%	0.364	C	S	.	.	S	Bend	trans	-80.3	-6.3	-178.6	-40	0	0	0	0	113.8	R309	R309-C327 HydrophobicContact CB-CB 4.29Å; R309-C327 PolarHBondContact O-SG 3.46Å
328	Q	67.4	Low	69.7	Low	66 Å²	66	72.6 Å²	72.6	31%	0.308	37%	0.374	S	S	.	.	S	Bend	trans	-148.2	140.3	-178.2	-65.9	-177.7	-57.4	0	0	112	V306 Y317 F326 L330 H331 L332	V306-Q328 HydrophobicContact CG1-CG 3.9Å; Y317-Q328 VanDerWaalsContact CD2-CA 3.43Å; F326-Q328 VanDerWaalsContact C-N 3.3Å; F326-Q328 PolarHBondContact O-N 3.29Å; Q328-L330 VanDerWaalsContact C-N 3.3Å; Q328-L330 PolarHBondContact O-N 3.23Å; Q328-H331 PolarHBondContact O-N 2.88Å; Q328-H331 VanDerWaalsContact O-N 3.08Å; Q328-H331 PolarHBondContact OE1-CE1 3.01Å; Q328-H331 PolarHBondContact OE1-ND1 2.84Å; Q328-H331 VanDerWaalsContact OE1-ND1 3.11Å; Q328-L332 PolarHBondContact O-N 2.89Å
329	K	71	Confident	69.8	Low	145 Å²	145	69.8 Å²	69.8	63%	0.63	36%	0.362	S	S	*	.	H	α-helix	trans	-52.7	-44.2	176.8	-164.9	171.9	-179	176	0	112.2	Y317 H331 L332 T333	Y317-K329 HydrophobicContact CD1-CB 3.87Å; Y317-K329 HydrophobicContact CD1-CG 4.25Å; Y317-K329 VanDerWaalsContact CD2-N 3.3Å; Y317-K329 HydrophobicContact CE1-CB 3.71Å; Y317-K329 HydrophobicContact CE1-CG 4.24Å; Y317-K329 HydrophobicContact CG-CB 4.39Å; K329-H331 VanDerWaalsContact C-N 3.3Å; K329-H331 PolarHBondContact O-N 3Å; K329-L332 WeakPolarHBondContact O-CA 3.5Å; K329-L332 WeakPolarHBondContact O-CB 3.5Å; K329-L332 PolarHBondContact O-N 2.87Å; K329-T333 PolarHBondContact O-N 3.34Å; K329-T333 PolarHBondContact O-OG1 3.47Å; K329-T333 VanDerWaalsContact O-OG1 3.1Å
330	L	72.8	Confident	69.4	Low	120 Å²	120	72.9 Å²	72.9	63%	0.628	38%	0.384	S	S	*	.	H	α-helix	trans	-55.4	-39.8	177.6	179.3	62.9	0	0	0	113.6	Q328 Q334	Q328-L330 VanDerWaalsContact C-N 3.3Å; Q328-L330 PolarHBondContact O-N 3.23Å; L330-Q334 VanDerWaalsContact O-CB 3.23Å; L330-Q334 WeakPolarHBondContact O-CB 3.36Å; L330-Q334 PolarHBondContact O-N 3.41Å
331	H	71.8	Confident	69.2	Low	80 Å²	80	68 Å²	68	37%	0.37	37%	0.367	S	S	.	.	H	α-helix	trans	-73.9	-32	178.3	-69.4	131.6	0	0	0	112.1	F326 Q328 K329 H335	F326-H331 HydrophobicContact CB-CB 4.29Å; F326-H331 HydrophobicContact CD1-CB 3.91Å; F326-H331 HydrophobicContact CG-CB 4.41Å; Q328-H331 PolarHBondContact O-N 2.88Å; Q328-H331 VanDerWaalsContact O-N 3.08Å; Q328-H331 PolarHBondContact OE1-CE1 3.01Å; Q328-H331 PolarHBondContact OE1-ND1 2.84Å; Q328-H331 VanDerWaalsContact OE1-ND1 3.11Å; K329-H331 VanDerWaalsContact C-N 3.3Å; K329-H331 PolarHBondContact O-N 3Å; H331-H335 WeakPolarHBondContact O-CB 3.43Å; H331-H335 PolarHBondContact O-N 3.16Å; H331-H335 VanDerWaalsContact O-N 3.07Å
332	L	73.9	Confident	69.2	Low	24 Å²	24	66.7 Å²	66.7	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-52.2	169.5	174.8	60.8	0	0	0	110.7	K318 C319 F326 Q328 K329 Q334 H335 L336	K318-L332 WeakPolarHBondContact O-CD2 3.5Å; C319-L332 HydrophobicContact CB-CD1 3.62Å; F326-L332 HydrophobicContact CB-CB 4.43Å; F326-L332 HydrophobicContact CD2-CB 4.18Å; F326-L332 HydrophobicContact CD2-CD1 4.01Å; F326-L332 HydrophobicContact CE2-CD1 4.21Å; F326-L332 HydrophobicContact CG-CB 4.44Å; Q328-L332 PolarHBondContact O-N 2.89Å; K329-L332 WeakPolarHBondContact O-CA 3.5Å; K329-L332 WeakPolarHBondContact O-CB 3.5Å; K329-L332 PolarHBondContact O-N 2.87Å; L332-Q334 VanDerWaalsContact C-N 3.29Å; L332-Q334 PolarHBondContact O-N 2.89Å; L332-H335 CarbonylContact O-C 3.53Å; L332-H335 WeakPolarHBondContact O-CA 3.13Å; L332-H335 WeakPolarHBondContact O-CB 3.47Å; L332-H335 PolarHBondContact O-N 3.02Å; L332-L336 HydrophobicContact CD1-CD1 4.47Å; L332-L336 HydrophobicContact CD1-CD2 4.13Å; L332-L336 HydrophobicContact CD1-CG 4.1Å; L332-L336 HydrophobicContact CG-CD1 4.27Å; L332-L336 HydrophobicContact CG-CG 4.34Å; L332-L336 WeakPolarHBondContact O-CG 3.43Å; L332-L336 PolarHBondContact O-N 3.08Å
333	T	72.8	Confident	69.7	Low	66 Å²	66	69.7 Å²	69.7	41%	0.405	37%	0.369	S	S	.	.	H	α-helix	trans	-56.4	-42.2	177.6	-49	0	0	0	0	111.9	K329 H335 L336	K329-T333 PolarHBondContact O-N 3.34Å; K329-T333 PolarHBondContact O-OG1 3.47Å; K329-T333 VanDerWaalsContact O-OG1 3.1Å; T333-H335 VanDerWaalsContact C-N 3.25Å; T333-H335 PolarHBondContact O-N 3.26Å; T333-L336 PolarHBondContact O-N 2.93Å
334	Q	72.3	Confident	70.1	Confident	65 Å²	65	71.1 Å²	71.1	30%	0.304	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-27.9	174.6	-176.9	178.3	98.1	0	0	113.1	L330 L332 Q356	L330-Q334 VanDerWaalsContact O-CB 3.23Å; L330-Q334 WeakPolarHBondContact O-CB 3.36Å; L330-Q334 PolarHBondContact O-N 3.41Å; L332-Q334 VanDerWaalsContact C-N 3.29Å; L332-Q334 PolarHBondContact O-N 2.89Å; Q334-Q356 VanDerWaalsContact CD-CD 3.42Å; Q334-Q356 HydrophobicContact CG-CG 4.07Å
335	H	72.8	Confident	70.6	Confident	20 Å²	20	69.3 Å²	69.3	9%	0.093	36%	0.361	C	S	.	.	H	α-helix	trans	-82.5	-35.1	175.6	173.1	43.6	0	0	0	113.1	C322 F326 H331 L332 T333 R337 T338 H339	C322-H335 PolarHBondContact SG-NE2 3.33Å; F326-H335 HydrophobicContact CE1-CB 4.07Å; F326-H335 HydrophobicContact CE2-CB 4.13Å; F326-H335 AromaticContact CE2-CD2 3.3Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.35Å; F326-H335 AromaticContact CE2-CG 3.9Å; F326-H335 HydrophobicContact CZ-CB 3.62Å; F326-H335 AromaticContact CZ-CD2 3.25Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.32Å; F326-H335 AromaticContact CZ-CG 3.42Å; F326-H335 VanDerWaalsContact CZ-CG 3.42Å; H331-H335 WeakPolarHBondContact O-CB 3.43Å; H331-H335 PolarHBondContact O-N 3.16Å; H331-H335 VanDerWaalsContact O-N 3.07Å; L332-H335 CarbonylContact O-C 3.53Å; L332-H335 WeakPolarHBondContact O-CA 3.13Å; L332-H335 WeakPolarHBondContact O-CB 3.47Å; L332-H335 PolarHBondContact O-N 3.02Å; T333-H335 VanDerWaalsContact C-N 3.25Å; T333-H335 PolarHBondContact O-N 3.26Å; H335-R337 PolarHBondContact O-N 3.05Å; H335-T338 PolarHBondContact CE1-OG1 3.3Å; H335-T338 VanDerWaalsContact CE1-OG1 3.26Å; H335-T338 PolarHBondContact ND1-OG1 3.42Å; H335-T338 WeakPolarHBondContact O-CA 3.28Å; H335-T338 WeakPolarHBondContact O-CB 3.45Å; H335-T338 PolarHBondContact O-N 2.84Å; H335-T338 PolarHBondContact O-OG1 3.46Å; H335-H339 AromaticContact CD2-NE2 3.99Å; H335-H339 AromaticContact CE1-CE1 3.6Å; H335-H339 AromaticContact CE1-NE2 3.18Å; H335-H339 PolarHBondContact CE1-NE2 2.81Å; H335-H339 AromaticContact NE2-CE1 3.84Å; H335-H339 AromaticContact NE2-NE2 3.1Å; H335-H339 PolarHBondContact NE2-NE2 3.05Å
336	L	69.4	Low	71	Confident	63 Å²	63	72.4 Å²	72.4	33%	0.33	37%	0.372	S	S	.	.	H	α-helix	trans	-58.1	-33.4	176.8	-66.2	173.6	0	0	0	111.7	E321 L332 T333 T338 H339 S340	E321-L336 VanDerWaalsContact OE2-CD2 3.24Å; E321-L336 WeakPolarHBondContact OE2-CD2 3.41Å; L332-L336 HydrophobicContact CD1-CD1 4.47Å; L332-L336 HydrophobicContact CD1-CD2 4.13Å; L332-L336 HydrophobicContact CD1-CG 4.1Å; L332-L336 HydrophobicContact CG-CD1 4.27Å; L332-L336 HydrophobicContact CG-CG 4.34Å; L332-L336 WeakPolarHBondContact O-CG 3.43Å; L332-L336 PolarHBondContact O-N 3.08Å; T333-L336 PolarHBondContact O-N 2.93Å; L336-T338 PolarHBondContact O-N 2.8Å; L336-H339 PolarHBondContact O-N 3.26Å; L336-S340 PolarHBondContact O-N 3.31Å
337	R	76.9	Confident	71.2	Confident	63 Å²	63	70.3 Å²	70.3	24%	0.238	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-12.7	169.1	-63.8	-173.4	177.3	159.4	4.9	115.6	H335 E342 C355	H335-R337 PolarHBondContact O-N 3.05Å; R337-E342 HydrophobicContact CB-CB 4.09Å; R337-E342 HydrophobicContact CG-CB 3.92Å; R337-E342 IonicContact NE-OE2 3.95Å; R337-E342 PolarHBondContact NE-OE2 2.66Å; R337-C355 HydrophobicContact CB-CB 4.21Å; R337-C355 PolarHBondContact NH1-O 3.05Å
338	T	65	Low	71.6	Confident	83 Å²	83	74.1 Å²	74.1	51%	0.509	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.6	173.1	67.9	0	0	0	0	113.5	H335 L336	H335-T338 PolarHBondContact CE1-OG1 3.3Å; H335-T338 VanDerWaalsContact CE1-OG1 3.26Å; H335-T338 PolarHBondContact ND1-OG1 3.42Å; H335-T338 WeakPolarHBondContact O-CA 3.28Å; H335-T338 WeakPolarHBondContact O-CB 3.45Å; H335-T338 PolarHBondContact O-N 2.84Å; H335-T338 PolarHBondContact O-OG1 3.46Å; L336-T338 PolarHBondContact O-N 2.8Å
339	H	68.3	Low	71.8	Confident	67 Å²	67	76.3 Å²	76.3	31%	0.31	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-48.3	172	-51.4	-58.2	0	0	0	111	C319 E321 C322 H335 L336 G341	C319-H339 PolarHBondContact SG-NE2 3Å; E321-H339 WeakPolarHBondContact OE1-CB 3.38Å; E321-H339 IonicContact OE2-CD2 3.44Å; E321-H339 PolarHBondContact OE2-CD2 3.28Å; E321-H339 IonicContact OE2-CG 2.63Å; C322-H339 VanDerWaalsContact SG-CE1 3.5Å; C322-H339 PolarHBondContact SG-NE2 2.85Å; C322-H339 VanDerWaalsContact SG-NE2 3.44Å; H335-H339 AromaticContact CD2-NE2 3.99Å; H335-H339 AromaticContact CE1-CE1 3.6Å; H335-H339 AromaticContact CE1-NE2 3.18Å; H335-H339 PolarHBondContact CE1-NE2 2.81Å; H335-H339 AromaticContact NE2-CE1 3.84Å; H335-H339 AromaticContact NE2-NE2 3.1Å; H335-H339 PolarHBondContact NE2-NE2 3.05Å; L336-H339 PolarHBondContact O-N 3.26Å; H339-G341 PolarHBondContact O-N 3.13Å; H339-G341 VanDerWaalsContact O-N 3.07Å
340	S	66.8	Low	71.6	Confident	67 Å²	67	71.7 Å²	71.7	47%	0.469	39%	0.385	S	S	.	.	S	Bend	trans	-66.4	-8.9	175.7	70.8	0	0	0	0	114.2	L336 E342	L336-S340 PolarHBondContact O-N 3.31Å; S340-E342 PolarHBondContact O-N 3.09Å; S340-E342 VanDerWaalsContact O-N 3.13Å; S340-E342 WeakPolarHBondContact OG-CG 3.38Å; S340-E342 PolarHBondContact OG-OE1 3.49Å
341	G	66.1	Low	71.5	Confident	41 Å²	41	68 Å²	68	42%	0.423	38%	0.376	S	S	.	.			trans	73	-3.1	-180	0	0	0	0	0	115	H339 K343	H339-G341 PolarHBondContact O-N 3.13Å; H339-G341 VanDerWaalsContact O-N 3.07Å; G341-K343 WeakPolarHBondContact O-CG 3.32Å; G341-K343 PolarHBondContact O-N 3.47Å
342	E	67.6	Low	71.3	Confident	94 Å²	94	69.7 Å²	69.7	44%	0.439	38%	0.382	S	S	.	.			trans	-51.5	124.1	-179.7	-85.2	169.1	-112.7	0	0	113.4	R337 S340 C355	R337-E342 HydrophobicContact CB-CB 4.09Å; R337-E342 HydrophobicContact CG-CB 3.92Å; R337-E342 IonicContact NE-OE2 3.95Å; R337-E342 PolarHBondContact NE-OE2 2.66Å; S340-E342 PolarHBondContact O-N 3.09Å; S340-E342 VanDerWaalsContact O-N 3.13Å; S340-E342 WeakPolarHBondContact OG-CG 3.38Å; S340-E342 PolarHBondContact OG-OE1 3.49Å; E342-C355 WeakPolarHBondContact O-CB 3.37Å
343	K	75.1	Confident	70.9	Confident	115 Å²	115	71.4 Å²	71.4	50%	0.5	39%	0.394	S	S	.	.			trans	-132.4	71.3	176.5	-67.4	159.2	-164.8	161.4	0	111	G341 Y345 T353 F354	G341-K343 WeakPolarHBondContact O-CG 3.32Å; G341-K343 PolarHBondContact O-N 3.47Å; K343-Y345 PolarHBondContact O-N 3.16Å; K343-T353 VanDerWaalsContact CB-CB 3.47Å; K343-T353 VanDerWaalsContact CD-OG1 3.27Å; K343-T353 WeakPolarHBondContact CD-OG1 3.33Å; K343-F354 CarbonylContact C-O 3.57Å; K343-F354 VanDerWaalsContact CA-O 3.26Å; K343-F354 WeakPolarHBondContact CA-O 3.46Å
344	P	76.1	Confident	71.1	Confident	73 Å²	73	70.5 Å²	70.5	47%	0.474	38%	0.384	S	S	.	.			trans	-68.6	0.6	-169.5	-20.2	34.5	0	0	0	115.9
345	Y	77.2	Confident	71.1	Confident	75 Å²	75	68.7 Å²	68.7	29%	0.294	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	93.2	-174.9	-53	-73.2	0	0	0	110	K343 F354 Q356 K357	K343-Y345 PolarHBondContact O-N 3.16Å; Y345-F354 WeakPolarHBondContact CD2-O 3.48Å; Y345-F354 PolarHBondContact N-O 2.86Å; Y345-F354 VanDerWaalsContact N-O 3.11Å; Y345-F354 PolarHBondContact O-N 3.18Å; Y345-Q356 VanDerWaalsContact CD2-CA 3.5Å; Y345-K357 HydrophobicContact CD1-CB 3.84Å; Y345-K357 HydrophobicContact CD1-CG 4.26Å; Y345-K357 HydrophobicContact CE1-CB 3.81Å; Y345-K357 HydrophobicContact CE1-CG 4.41Å; Y345-K357 HydrophobicContact CE2-CB 4.46Å; Y345-K357 HydrophobicContact CG-CB 4.21Å
346	E	71.4	Confident	71	Confident	121 Å²	121	69.4 Å²	69.4	57%	0.565	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	145.1	178.2	-169.3	171.5	161.5	0	0	113	T353 L360	E346-T353 HydrophobicContact CB-CG2 3.95Å; E346-T353 HydrophobicContact CG-CG2 3.83Å; E346-L360 VanDerWaalsContact O-CD2 3.28Å; E346-L360 WeakPolarHBondContact O-CD2 3.3Å
347	C	77	Confident	71.2	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.2	170.3	-175.4	0	0	0	0	110.7	E349 C350 G351 K352 F354 L360	C347-E349 PolarHBondContact O-N 3.04Å; C347-C350 PolarHBondContact O-N 3.41Å; C347-C350 VanDerWaalsContact SG-SG 3.7Å; C347-G351 PolarHBondContact O-N 3.17Å; C347-K352 HydrophobicContact CB-CB 4.48Å; C347-K352 WeakPolarHBondContact CB-O 3.44Å; C347-K352 PolarHBondContact N-O 3.1Å; C347-F354 HydrophobicContact CB-CE2 4.37Å; C347-L360 HydrophobicContact CB-CD1 3.54Å
348	S	72.6	Confident	71	Confident	108 Å²	108	74.3 Å²	74.3	76%	0.755	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-24.7	178.2	49.8	0	0	0	0	115.2
349	E	70.4	Confident	71.5	Confident	112 Å²	112	74.3 Å²	74.3	52%	0.523	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.2	-178.2	-61.5	166.9	127.5	0	0	113.6	C347 H367	C347-E349 PolarHBondContact O-N 3.04Å; E349-H367 WeakPolarHBondContact OE2-CB 3.39Å; E349-H367 IonicContact OE2-CD2 3.73Å; E349-H367 PolarHBondContact OE2-CD2 3.45Å; E349-H367 IonicContact OE2-CG 2.84Å
350	C	66.4	Low	71.9	Confident	49 Å²	49	72 Å²	72	33%	0.331	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.1	13.7	-177	71.3	0	0	0	0	117.1	C347 K352 H363 H367	C347-C350 PolarHBondContact O-N 3.41Å; C347-C350 VanDerWaalsContact SG-SG 3.7Å; C350-K352 PolarHBondContact O-N 3.31Å; C350-K352 VanDerWaalsContact O-N 3.07Å; C350-H363 PolarHBondContact SG-NE2 3.38Å; C350-H367 PolarHBondContact SG-NE2 3.03Å
351	G	71.3	Confident	72.3	Confident	43 Å²	43	71.8 Å²	71.8	44%	0.443	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	6.7	177.1	0	0	0	0	0	115.8	C347 T353	C347-G351 PolarHBondContact O-N 3.17Å; G351-T353 PolarHBondContact O-N 3.47Å
352	K	67.4	Low	72.6	Confident	115 Å²	115	71.6 Å²	71.6	50%	0.5	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.7	-177.4	-75.3	173.2	-174.3	148.8	0	110.8	C347 C350 F354	C347-K352 HydrophobicContact CB-CB 4.48Å; C347-K352 WeakPolarHBondContact CB-O 3.44Å; C347-K352 PolarHBondContact N-O 3.1Å; C350-K352 PolarHBondContact O-N 3.31Å; C350-K352 VanDerWaalsContact O-N 3.07Å; K352-F354 HydrophobicContact CB-CE2 3.87Å; K352-F354 HydrophobicContact CB-CZ 4.09Å; K352-F354 WeakPolarHBondContact O-CD2 3.25Å; K352-F354 WeakPolarHBondContact O-CE2 3.3Å
353	T	67	Low	72.9	Confident	59 Å²	59	68.5 Å²	68.5	36%	0.362	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.3	-177.1	55.4	0	0	0	0	111.7	K343 E346 G351	K343-T353 VanDerWaalsContact CB-CB 3.47Å; K343-T353 VanDerWaalsContact CD-OG1 3.27Å; K343-T353 WeakPolarHBondContact CD-OG1 3.33Å; E346-T353 HydrophobicContact CB-CG2 3.95Å; E346-T353 HydrophobicContact CG-CG2 3.83Å; G351-T353 PolarHBondContact O-N 3.47Å
354	F	75.8	Confident	72.7	Confident	47 Å²	47	66 Å²	66	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.5	-177.8	-60.9	-89.4	0	0	0	111.8	K343 Y345 C347 K352 Q356 H359 L360 H363	K343-F354 CarbonylContact C-O 3.57Å; K343-F354 VanDerWaalsContact CA-O 3.26Å; K343-F354 WeakPolarHBondContact CA-O 3.46Å; Y345-F354 WeakPolarHBondContact CD2-O 3.48Å; Y345-F354 PolarHBondContact N-O 2.86Å; Y345-F354 VanDerWaalsContact N-O 3.11Å; Y345-F354 PolarHBondContact O-N 3.18Å; C347-F354 HydrophobicContact CB-CE2 4.37Å; K352-F354 HydrophobicContact CB-CE2 3.87Å; K352-F354 HydrophobicContact CB-CZ 4.09Å; K352-F354 WeakPolarHBondContact O-CD2 3.25Å; K352-F354 WeakPolarHBondContact O-CE2 3.3Å; F354-Q356 VanDerWaalsContact C-N 3.3Å; F354-Q356 PolarHBondContact O-N 3.04Å; F354-H359 HydrophobicContact CB-CB 4.22Å; F354-H359 HydrophobicContact CD1-CB 3.88Å; F354-H359 HydrophobicContact CG-CB 4.3Å; F354-L360 HydrophobicContact CB-CB 4.42Å; F354-L360 HydrophobicContact CD2-CB 4.05Å; F354-L360 HydrophobicContact CD2-CD1 4.04Å; F354-L360 HydrophobicContact CE2-CD1 4.26Å; F354-L360 HydrophobicContact CG-CB 4.42Å; F354-H363 HydrophobicContact CE1-CB 4.11Å; F354-H363 HydrophobicContact CE2-CB 3.82Å; F354-H363 AromaticContact CE2-CD2 3.36Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.39Å; F354-H363 AromaticContact CE2-CG 3.69Å; F354-H363 HydrophobicContact CZ-CB 3.49Å; F354-H363 VanDerWaalsContact CZ-CB 3.49Å; F354-H363 AromaticContact CZ-CD2 3.39Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.32Å; F354-H363 AromaticContact CZ-CG 3.31Å; F354-H363 AromaticContact CZ-ND1 3.98Å
355	C	71.5	Confident	72.8	Confident	27 Å²	27	65.2 Å²	65.2	18%	0.182	34%	0.342	C	S	.	.	S	Bend	trans	-78	-8.8	175.8	57.6	0	0	0	0	114.4	R337 E342	R337-C355 HydrophobicContact CB-CB 4.21Å; R337-C355 PolarHBondContact NH1-O 3.05Å; E342-C355 WeakPolarHBondContact O-CB 3.37Å
356	Q	72.1	Confident	72.3	Confident	35 Å²	35	66.6 Å²	66.6	16%	0.164	35%	0.354	C	S	.	.	S	Bend	trans	-140.4	136.2	-179.9	-52	-177.9	19.2	0	0	112.1	Q334 Y345 F354 T358 H359 L360	Q334-Q356 VanDerWaalsContact CD-CD 3.42Å; Q334-Q356 HydrophobicContact CG-CG 4.07Å; Y345-Q356 VanDerWaalsContact CD2-CA 3.5Å; F354-Q356 VanDerWaalsContact C-N 3.3Å; F354-Q356 PolarHBondContact O-N 3.04Å; Q356-T358 VanDerWaalsContact C-N 3.25Å; Q356-T358 WeakPolarHBondContact CB-OG1 3.47Å; Q356-T358 PolarHBondContact O-N 3.08Å; Q356-T358 PolarHBondContact OE1-OG1 3.3Å; Q356-H359 HydrophobicContact CB-CB 4.41Å; Q356-H359 VanDerWaalsContact CD-CE1 3.44Å; Q356-H359 WeakPolarHBondContact O-CB 3.48Å; Q356-H359 PolarHBondContact O-N 3.29Å; Q356-H359 PolarHBondContact OE1-CE1 3.1Å; Q356-L360 PolarHBondContact O-N 3Å
357	K	73.4	Confident	72.1	Confident	140 Å²	140	64.5 Å²	64.5	61%	0.609	35%	0.345	S	S	*	.	H	α-helix	trans	-58.5	-36.2	176.1	-168.3	173	-177.1	174.1	0	112.5	Y345 H359 L360 T361	Y345-K357 HydrophobicContact CD1-CB 3.84Å; Y345-K357 HydrophobicContact CD1-CG 4.26Å; Y345-K357 HydrophobicContact CE1-CB 3.81Å; Y345-K357 HydrophobicContact CE1-CG 4.41Å; Y345-K357 HydrophobicContact CE2-CB 4.46Å; Y345-K357 HydrophobicContact CG-CB 4.21Å; K357-H359 VanDerWaalsContact C-N 3.3Å; K357-H359 PolarHBondContact O-N 2.87Å; K357-L360 PolarHBondContact O-N 2.68Å; K357-T361 PolarHBondContact O-N 2.99Å; K357-T361 PolarHBondContact O-OG1 3.26Å
358	T	72.6	Confident	71.7	Confident	89 Å²	89	67.6 Å²	67.6	55%	0.546	37%	0.366	S	S	.	.	H	α-helix	trans	-58	-38.6	173.7	46.4	0	0	0	0	113	Q356 L362	Q356-T358 VanDerWaalsContact C-N 3.25Å; Q356-T358 WeakPolarHBondContact CB-OG1 3.47Å; Q356-T358 PolarHBondContact O-N 3.08Å; Q356-T358 PolarHBondContact OE1-OG1 3.3Å; T358-L362 WeakPolarHBondContact O-CB 3.43Å; T358-L362 PolarHBondContact O-N 2.85Å; T358-L362 VanDerWaalsContact O-N 3.14Å
359	H	75.3	Confident	71.4	Confident	84 Å²	84	64.5 Å²	64.5	39%	0.389	35%	0.351	S	S	.	.	H	α-helix	trans	-74.1	-36.7	176.3	-66.1	154.3	0	0	0	111.9	F354 Q356 K357 L362 H363	F354-H359 HydrophobicContact CB-CB 4.22Å; F354-H359 HydrophobicContact CD1-CB 3.88Å; F354-H359 HydrophobicContact CG-CB 4.3Å; Q356-H359 HydrophobicContact CB-CB 4.41Å; Q356-H359 VanDerWaalsContact CD-CE1 3.44Å; Q356-H359 WeakPolarHBondContact O-CB 3.48Å; Q356-H359 PolarHBondContact O-N 3.29Å; Q356-H359 PolarHBondContact OE1-CE1 3.1Å; K357-H359 VanDerWaalsContact C-N 3.3Å; K357-H359 PolarHBondContact O-N 2.87Å; H359-L362 PolarHBondContact O-N 3.36Å; H359-H363 VanDerWaalsContact O-CB 3.31Å; H359-H363 WeakPolarHBondContact O-CB 3.43Å; H359-H363 PolarHBondContact O-N 3.37Å
360	L	77.4	Confident	71.4	Confident	18 Å²	18	63.6 Å²	63.6	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-52.8	171.9	171.7	60.4	0	0	0	111.7	E346 C347 F354 Q356 K357 L362 H363 Q364	E346-L360 VanDerWaalsContact O-CD2 3.28Å; E346-L360 WeakPolarHBondContact O-CD2 3.3Å; C347-L360 HydrophobicContact CB-CD1 3.54Å; F354-L360 HydrophobicContact CB-CB 4.42Å; F354-L360 HydrophobicContact CD2-CB 4.05Å; F354-L360 HydrophobicContact CD2-CD1 4.04Å; F354-L360 HydrophobicContact CE2-CD1 4.26Å; F354-L360 HydrophobicContact CG-CB 4.42Å; Q356-L360 PolarHBondContact O-N 3Å; K357-L360 PolarHBondContact O-N 2.68Å; L360-L362 PolarHBondContact O-N 2.89Å; L360-H363 CarbonylContact O-C 3.59Å; L360-H363 WeakPolarHBondContact O-CA 3.27Å; L360-H363 VanDerWaalsContact O-CB 3.31Å; L360-H363 WeakPolarHBondContact O-CB 3.38Å; L360-H363 PolarHBondContact O-N 3.43Å; L360-Q364 HydrophobicContact CD1-CG 3.98Å; L360-Q364 HydrophobicContact CG-CG 4.44Å; L360-Q364 WeakPolarHBondContact O-CG 3.27Å; L360-Q364 PolarHBondContact O-N 3.45Å
361	T	75	Confident	71.9	Confident	62 Å²	62	68.9 Å²	68.9	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-59.5	-37.8	178.8	-54.5	0	0	0	0	111.8	K357 H363 R365	K357-T361 PolarHBondContact O-N 2.99Å; K357-T361 PolarHBondContact O-OG1 3.26Å; T361-H363 VanDerWaalsContact C-N 3.27Å; T361-H363 PolarHBondContact O-N 2.95Å; T361-R365 PolarHBondContact O-N 2.81Å
362	L	72.1	Confident	72.3	Confident	38 Å²	38	69.7 Å²	69.7	20%	0.199	36%	0.358	C	S	.	.	H	α-helix	trans	-73.7	-17.4	174.9	-175.4	53.6	0	0	0	113.6	T358 H359 L360 N366 R384	T358-L362 WeakPolarHBondContact O-CB 3.43Å; T358-L362 PolarHBondContact O-N 2.85Å; T358-L362 VanDerWaalsContact O-N 3.14Å; H359-L362 PolarHBondContact O-N 3.36Å; L360-L362 PolarHBondContact O-N 2.89Å; L362-N366 PolarHBondContact O-ND2 3.33Å; L362-N366 VanDerWaalsContact O-ND2 3.15Å; L362-R384 HydrophobicContact CD1-CG 3.69Å; L362-R384 HydrophobicContact CD2-CG 4.37Å
363	H	73.4	Confident	73	Confident	29 Å²	29	67.8 Å²	67.8	13%	0.134	35%	0.348	C	S	.	.	H	α-helix	trans	-83.1	-43.7	171.1	178.6	53.1	0	0	0	111.9	C350 F354 H359 L360 T361 R365 N366 H367	C350-H363 PolarHBondContact SG-NE2 3.38Å; F354-H363 HydrophobicContact CE1-CB 4.11Å; F354-H363 HydrophobicContact CE2-CB 3.82Å; F354-H363 AromaticContact CE2-CD2 3.36Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.39Å; F354-H363 AromaticContact CE2-CG 3.69Å; F354-H363 HydrophobicContact CZ-CB 3.49Å; F354-H363 VanDerWaalsContact CZ-CB 3.49Å; F354-H363 AromaticContact CZ-CD2 3.39Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.32Å; F354-H363 AromaticContact CZ-CG 3.31Å; F354-H363 AromaticContact CZ-ND1 3.98Å; H359-H363 VanDerWaalsContact O-CB 3.31Å; H359-H363 WeakPolarHBondContact O-CB 3.43Å; H359-H363 PolarHBondContact O-N 3.37Å; L360-H363 CarbonylContact O-C 3.59Å; L360-H363 WeakPolarHBondContact O-CA 3.27Å; L360-H363 VanDerWaalsContact O-CB 3.31Å; L360-H363 WeakPolarHBondContact O-CB 3.38Å; L360-H363 PolarHBondContact O-N 3.43Å; T361-H363 VanDerWaalsContact C-N 3.27Å; T361-H363 PolarHBondContact O-N 2.95Å; H363-R365 PolarHBondContact O-N 2.94Å; H363-N366 WeakPolarHBondContact CA-ND2 3.15Å; H363-N366 WeakPolarHBondContact O-CB 3.48Å; H363-N366 PolarHBondContact O-N 2.98Å; H363-N366 PolarHBondContact O-ND2 2.97Å; H363-H367 AromaticContact CD2-NE2 3.93Å; H363-H367 AromaticContact CE1-NE2 3.71Å; H363-H367 AromaticContact NE2-CE1 3.99Å; H363-H367 AromaticContact NE2-NE2 3.27Å; H363-H367 PolarHBondContact NE2-NE2 2.83Å
364	Q	72.2	Confident	73.5	Confident	61 Å²	61	68.1 Å²	68.1	29%	0.285	35%	0.351	S	S	.	.	H	α-helix	trans	-56.2	-35.1	177.3	-71.1	169.6	-59.9	0	0	112.4	L360 N366 H367 S368	L360-Q364 HydrophobicContact CD1-CG 3.98Å; L360-Q364 HydrophobicContact CG-CG 4.44Å; L360-Q364 WeakPolarHBondContact O-CG 3.27Å; L360-Q364 PolarHBondContact O-N 3.45Å; Q364-N366 PolarHBondContact O-N 2.73Å; Q364-H367 WeakPolarHBondContact O-CA 3.16Å; Q364-H367 WeakPolarHBondContact O-CB 3.2Å; Q364-H367 PolarHBondContact O-N 2.87Å; Q364-S368 PolarHBondContact O-N 3.28Å
365	R	77.4	Confident	73.8	Confident	57 Å²	57	65.9 Å²	65.9	22%	0.215	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-13.3	171.7	-68.9	-170.1	174.1	151.3	8.7	116.1	T361 H363 G369 E370 S383	T361-R365 PolarHBondContact O-N 2.81Å; H363-R365 PolarHBondContact O-N 2.94Å; R365-G369 CarbonylContact O-C 3.55Å; R365-G369 PolarHBondContact O-N 3.05Å; R365-E370 HydrophobicContact CB-CB 4.03Å; R365-E370 HydrophobicContact CG-CB 3.73Å; R365-E370 IonicContact NE-OE2 3.79Å; R365-E370 PolarHBondContact NE-OE2 2.62Å; R365-E370 PolarHBondContact O-N 2.83Å; R365-S383 PolarHBondContact NH1-O 2.86Å
366	N	67.3	Low	74.1	Confident	104 Å²	104	72 Å²	72	56%	0.556	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-18.9	173	-51.4	-81.9	0	0	0	112.2	L362 H363 Q364	L362-N366 PolarHBondContact O-ND2 3.33Å; L362-N366 VanDerWaalsContact O-ND2 3.15Å; H363-N366 WeakPolarHBondContact CA-ND2 3.15Å; H363-N366 WeakPolarHBondContact O-CB 3.48Å; H363-N366 PolarHBondContact O-N 2.98Å; H363-N366 PolarHBondContact O-ND2 2.97Å; Q364-N366 PolarHBondContact O-N 2.73Å
367	H	65.7	Low	74.3	Confident	78 Å²	78	75.5 Å²	75.5	36%	0.361	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-51	174.1	-55.7	-53.5	0	0	0	110.4	E349 C350 H363 Q364 G369	E349-H367 WeakPolarHBondContact OE2-CB 3.39Å; E349-H367 IonicContact OE2-CD2 3.73Å; E349-H367 PolarHBondContact OE2-CD2 3.45Å; E349-H367 IonicContact OE2-CG 2.84Å; C350-H367 PolarHBondContact SG-NE2 3.03Å; H363-H367 AromaticContact CD2-NE2 3.93Å; H363-H367 AromaticContact CE1-NE2 3.71Å; H363-H367 AromaticContact NE2-CE1 3.99Å; H363-H367 AromaticContact NE2-NE2 3.27Å; H363-H367 PolarHBondContact NE2-NE2 2.83Å; Q364-H367 WeakPolarHBondContact O-CA 3.16Å; Q364-H367 WeakPolarHBondContact O-CB 3.2Å; Q364-H367 PolarHBondContact O-N 2.87Å; H367-G369 PolarHBondContact O-N 2.96Å; H367-G369 VanDerWaalsContact O-N 3.14Å
368	S	68.6	Low	74.4	Confident	64 Å²	64	71.2 Å²	71.2	45%	0.448	38%	0.376	S	S	.	.	S	Bend	trans	-69.8	-6.6	176.2	70.6	0	0	0	0	114.4	Q364 E370	Q364-S368 PolarHBondContact O-N 3.28Å; S368-E370 PolarHBondContact O-N 3.32Å; S368-E370 VanDerWaalsContact O-N 3.09Å; S368-E370 WeakPolarHBondContact OG-CB 3.43Å; S368-E370 WeakPolarHBondContact OG-CG 3.35Å; S368-E370 PolarHBondContact OG-OE1 3.09Å
369	G	67.4	Low	74.5	Confident	43 Å²	43	69.9 Å²	69.9	44%	0.443	38%	0.379	S	S	.	.			trans	69.6	-1.8	-176.9	0	0	0	0	0	115.1	R365 H367 R371	R365-G369 CarbonylContact O-C 3.55Å; R365-G369 PolarHBondContact O-N 3.05Å; H367-G369 PolarHBondContact O-N 2.96Å; H367-G369 VanDerWaalsContact O-N 3.14Å; G369-R371 WeakPolarHBondContact O-CG 3.18Å; G369-R371 PolarHBondContact O-N 2.62Å
370	E	70.2	Confident	74.5	Confident	93 Å²	93	71.8 Å²	71.8	44%	0.435	39%	0.386	S	S	.	.			trans	-50.3	120.8	-175.3	-97	176.2	-113.6	0	0	113.9	R365 S368	R365-E370 HydrophobicContact CB-CB 4.03Å; R365-E370 HydrophobicContact CG-CB 3.73Å; R365-E370 IonicContact NE-OE2 3.79Å; R365-E370 PolarHBondContact NE-OE2 2.62Å; R365-E370 PolarHBondContact O-N 2.83Å; S368-E370 PolarHBondContact O-N 3.32Å; S368-E370 VanDerWaalsContact O-N 3.09Å; S368-E370 WeakPolarHBondContact OG-CB 3.43Å; S368-E370 WeakPolarHBondContact OG-CG 3.35Å; S368-E370 PolarHBondContact OG-OE1 3.09Å
371	R	76.8	Confident	74.5	Confident	160 Å²	160	72.8 Å²	72.8	60%	0.604	39%	0.394	S	S	*	.			trans	-130.2	74.8	176.3	-71.3	155.6	178.5	-124.9	14.9	110.4	G369 Y373 S381 F382	G369-R371 WeakPolarHBondContact O-CG 3.18Å; G369-R371 PolarHBondContact O-N 2.62Å; R371-Y373 PolarHBondContact O-N 2.91Å; R371-S381 VanDerWaalsContact CB-CB 3.46Å; R371-S381 WeakPolarHBondContact CD-O 3.33Å; R371-S381 WeakPolarHBondContact CG-O 3.29Å; R371-S381 PolarHBondContact NH1-O 2.76Å; R371-S381 VanDerWaalsContact NH1-O 3.09Å; R371-S381 WeakPolarHBondContact O-CB 3.47Å; R371-F382 CarbonylContact C-O 3.11Å; R371-F382 VanDerWaalsContact CA-O 3.29Å; R371-F382 WeakPolarHBondContact CA-O 3.48Å
372	P	79.8	Confident	74.7	Confident	61 Å²	61	72.2 Å²	72.2	40%	0.396	39%	0.387	S	S	.	.			trans	-69.5	2.2	-171.2	-20.5	34.9	0	0	0	115.7	P374	P372-P374 WeakPolarHBondContact O-CD 2.96Å
373	Y	81.9	Confident	74.8	Confident	75 Å²	75	71.8 Å²	71.8	29%	0.294	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	80.8	-176.6	-52.8	-70.9	0	0	0	110.1	R371 S381 F382 K385	R371-Y373 PolarHBondContact O-N 2.91Å; Y373-S381 WeakPolarHBondContact O-CA 3.49Å; Y373-F382 WeakPolarHBondContact CB-O 3.05Å; Y373-F382 WeakPolarHBondContact CD2-O 3.39Å; Y373-F382 PolarHBondContact N-O 2.65Å; Y373-F382 VanDerWaalsContact N-O 3.14Å; Y373-F382 PolarHBondContact O-N 2.86Å; Y373-K385 HydrophobicContact CD1-CB 3.98Å; Y373-K385 HydrophobicContact CD1-CG 4.42Å; Y373-K385 VanDerWaalsContact CD2-N 3.35Å; Y373-K385 HydrophobicContact CE1-CB 3.91Å; Y373-K385 HydrophobicContact CG-CB 4.33Å
374	P	78.3	Confident	74.9	Confident	65 Å²	65	76.5 Å²	76.5	42%	0.422	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	150.4	172.6	29.5	-35.1	0	0	0	111.8	P372 L388	P372-P374 WeakPolarHBondContact O-CD 2.96Å; P374-L388 WeakPolarHBondContact O-CD2 3.42Å
375	C	81.6	Confident	75	Confident	1 Å²	1	80.9 Å²	80.9	1%	0.007	42%	0.422	C	S	.	.			trans	-96.8	114.6	167.2	-178.8	0	0	0	0	109.7	E377 C378 G379 K380 F382 L388 H395	C375-E377 PolarHBondContact O-N 3.36Å; C375-E377 VanDerWaalsContact O-N 3.16Å; C375-C378 PolarHBondContact O-N 2.86Å; C375-G379 WeakPolarHBondContact O-CA 3.43Å; C375-G379 PolarHBondContact O-N 3.42Å; C375-K380 VanDerWaalsContact CB-O 3.25Å; C375-K380 WeakPolarHBondContact CB-O 3.47Å; C375-K380 PolarHBondContact N-O 2.82Å; C375-F382 HydrophobicContact CB-CE2 4.47Å; C375-L388 HydrophobicContact CB-CD1 3.57Å; C375-H395 PolarHBondContact SG-NE2 3.01Å
376	N	78.2	Confident	74.8	Confident	154 Å²	154	81.8 Å²	81.8	82%	0.824	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.3	-176.5	-61.1	3	0	0	0	113.2
377	E	75.7	Confident	75.2	Confident	109 Å²	109	78.1 Å²	78.1	51%	0.509	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-20.1	-175.3	-65.5	150.9	-111.4	0	0	113.8	C375 H395	C375-E377 PolarHBondContact O-N 3.36Å; C375-E377 VanDerWaalsContact O-N 3.16Å; E377-H395 WeakPolarHBondContact OE2-CB 3.45Å; E377-H395 IonicContact OE2-CD2 3.4Å; E377-H395 PolarHBondContact OE2-CD2 3.48Å; E377-H395 IonicContact OE2-CG 3.64Å
378	C	75.4	Confident	75.9	Confident	51 Å²	51	75.3 Å²	75.3	35%	0.345	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	12.7	-179.4	79.6	0	0	0	0	115.8	C375 K380 H391 H395	C375-C378 PolarHBondContact O-N 2.86Å; C378-K380 PolarHBondContact O-N 2.87Å; C378-K380 VanDerWaalsContact SG-CD 3.59Å; C378-H391 PolarHBondContact SG-NE2 3.22Å; C378-H395 VanDerWaalsContact SG-CE1 3.52Å; C378-H395 PolarHBondContact SG-NE2 3.4Å
379	G	74.2	Confident	76.3	Confident	60 Å²	60	74.8 Å²	74.8	62%	0.619	41%	0.405	S	S	*	.			trans	68.7	-3.6	177.5	0	0	0	0	0	116	C375 S381	C375-G379 WeakPolarHBondContact O-CA 3.43Å; C375-G379 PolarHBondContact O-N 3.42Å; G379-S381 PolarHBondContact O-N 3.27Å
380	K	76.6	Confident	76.5	Confident	125 Å²	125	73.9 Å²	73.9	54%	0.543	39%	0.39	S	S	.	.			trans	-71.6	121	-178.2	-70.6	174.9	-172.1	163.5	0	110.9	C375 C378 F382	C375-K380 VanDerWaalsContact CB-O 3.25Å; C375-K380 WeakPolarHBondContact CB-O 3.47Å; C375-K380 PolarHBondContact N-O 2.82Å; C378-K380 PolarHBondContact O-N 2.87Å; C378-K380 VanDerWaalsContact SG-CD 3.59Å; K380-F382 HydrophobicContact CB-CE2 3.86Å; K380-F382 HydrophobicContact CB-CZ 4.17Å; K380-F382 WeakPolarHBondContact O-CD2 3.32Å; K380-F382 WeakPolarHBondContact O-CE2 3.48Å
381	S	77.9	Confident	76.8	Confident	38 Å²	38	70.5 Å²	70.5	27%	0.266	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141	-179.2	-52.1	0	0	0	0	113.2	R371 Y373 G379	R371-S381 VanDerWaalsContact CB-CB 3.46Å; R371-S381 WeakPolarHBondContact CD-O 3.33Å; R371-S381 WeakPolarHBondContact CG-O 3.29Å; R371-S381 PolarHBondContact NH1-O 2.76Å; R371-S381 VanDerWaalsContact NH1-O 3.09Å; R371-S381 WeakPolarHBondContact O-CB 3.47Å; Y373-S381 WeakPolarHBondContact O-CA 3.49Å; G379-S381 PolarHBondContact O-N 3.27Å
382	F	78.9	Confident	76.6	Confident	50 Å²	50	66.2 Å²	66.2	22%	0.219	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.6	-174.3	-61.6	-94.4	0	0	0	112.1	R371 Y373 C375 K380 A387 L388 H391	R371-F382 CarbonylContact C-O 3.11Å; R371-F382 VanDerWaalsContact CA-O 3.29Å; R371-F382 WeakPolarHBondContact CA-O 3.48Å; Y373-F382 WeakPolarHBondContact CB-O 3.05Å; Y373-F382 WeakPolarHBondContact CD2-O 3.39Å; Y373-F382 PolarHBondContact N-O 2.65Å; Y373-F382 VanDerWaalsContact N-O 3.14Å; Y373-F382 PolarHBondContact O-N 2.86Å; C375-F382 HydrophobicContact CB-CE2 4.47Å; K380-F382 HydrophobicContact CB-CE2 3.86Å; K380-F382 HydrophobicContact CB-CZ 4.17Å; K380-F382 WeakPolarHBondContact O-CD2 3.32Å; K380-F382 WeakPolarHBondContact O-CE2 3.48Å; F382-A387 HydrophobicContact CB-CB 4.3Å; F382-A387 HydrophobicContact CD1-CB 3.94Å; F382-A387 HydrophobicContact CG-CB 4.42Å; F382-L388 HydrophobicContact CB-CB 4.36Å; F382-L388 HydrophobicContact CD2-CB 4.15Å; F382-L388 HydrophobicContact CD2-CD1 4.03Å; F382-L388 HydrophobicContact CE2-CD1 4.32Å; F382-L388 HydrophobicContact CG-CB 4.39Å; F382-H391 HydrophobicContact CE1-CB 4.07Å; F382-H391 HydrophobicContact CE2-CB 4Å; F382-H391 AromaticContact CE2-CD2 3.21Å; F382-H391 WeakPolarHBondContact CE2-CD2 3.43Å; F382-H391 AromaticContact CE2-CG 3.74Å; F382-H391 HydrophobicContact CZ-CB 3.57Å; F382-H391 AromaticContact CZ-CD2 3.31Å; F382-H391 WeakPolarHBondContact CZ-CD2 3.28Å; F382-H391 AromaticContact CZ-CG 3.38Å
383	S	73.4	Confident	76.4	Confident	29 Å²	29	66.5 Å²	66.5	20%	0.203	35%	0.354	C	S	.	.	S	Bend	trans	-85.1	-5.2	177.2	57.9	0	0	0	0	114.5	R365	R365-S383 PolarHBondContact NH1-O 2.86Å
384	R	75.3	Confident	75.8	Confident	129 Å²	129	67.1 Å²	67.1	49%	0.487	37%	0.365	S	S	.	.	S	Bend	trans	-140.2	133.4	-179.1	-53.9	177.3	-164.4	-155.5	-4	111.4	L362 S386 A387 L388	L362-R384 HydrophobicContact CD1-CG 3.69Å; L362-R384 HydrophobicContact CD2-CG 4.37Å; R384-S386 VanDerWaalsContact C-N 3.26Å; R384-S386 PolarHBondContact O-N 3.33Å; R384-A387 HydrophobicContact CB-CB 4.14Å; R384-A387 WeakPolarHBondContact O-CB 3.36Å; R384-A387 PolarHBondContact O-N 3.09Å; R384-L388 PolarHBondContact O-N 2.96Å; R384-L388 VanDerWaalsContact O-N 3.16Å
385	K	74.6	Confident	75.4	Confident	153 Å²	153	67.5 Å²	67.5	67%	0.665	36%	0.362	S	S	*	.	H	α-helix	trans	-58.4	-33.9	175.8	-170.2	174.1	-177.6	174.9	0	113.3	Y373 L388 S389	Y373-K385 HydrophobicContact CD1-CB 3.98Å; Y373-K385 HydrophobicContact CD1-CG 4.42Å; Y373-K385 VanDerWaalsContact CD2-N 3.35Å; Y373-K385 HydrophobicContact CE1-CB 3.91Å; Y373-K385 HydrophobicContact CG-CB 4.33Å; K385-L388 PolarHBondContact O-N 3.14Å; K385-S389 PolarHBondContact O-N 2.83Å
386	S	74.1	Confident	74.7	Confident	76 Å²	76	71.2 Å²	71.2	53%	0.531	38%	0.384	S	S	.	.	H	α-helix	trans	-67.4	-34.6	174.7	49.8	0	0	0	0	113.2	R384 S389 D390	R384-S386 VanDerWaalsContact C-N 3.26Å; R384-S386 PolarHBondContact O-N 3.33Å; S386-S389 PolarHBondContact O-N 3.3Å; S386-D390 PolarHBondContact O-N 2.84Å
387	A	74.6	Confident	74	Confident	26 Å²	26	66 Å²	66	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-71.1	-35.8	175.3	0	0	0	0	0	111.9	F382 R384 H391	F382-A387 HydrophobicContact CB-CB 4.3Å; F382-A387 HydrophobicContact CD1-CB 3.94Å; F382-A387 HydrophobicContact CG-CB 4.42Å; R384-A387 HydrophobicContact CB-CB 4.14Å; R384-A387 WeakPolarHBondContact O-CB 3.36Å; R384-A387 PolarHBondContact O-N 3.09Å; A387-H391 WeakPolarHBondContact O-CB 3.27Å; A387-H391 PolarHBondContact O-N 3.41Å; A387-H391 VanDerWaalsContact O-N 3.08Å
388	L	79.6	Confident	73.3	Confident	20 Å²	20	65.8 Å²	65.8	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-48	168.7	172.9	61.4	0	0	0	111.1	P374 C375 F382 R384 K385 D390 H391 Q392	P374-L388 WeakPolarHBondContact O-CD2 3.42Å; C375-L388 HydrophobicContact CB-CD1 3.57Å; F382-L388 HydrophobicContact CB-CB 4.36Å; F382-L388 HydrophobicContact CD2-CB 4.15Å; F382-L388 HydrophobicContact CD2-CD1 4.03Å; F382-L388 HydrophobicContact CE2-CD1 4.32Å; F382-L388 HydrophobicContact CG-CB 4.39Å; R384-L388 PolarHBondContact O-N 2.96Å; R384-L388 VanDerWaalsContact O-N 3.16Å; K385-L388 PolarHBondContact O-N 3.14Å; L388-D390 PolarHBondContact O-N 2.83Å; L388-H391 CarbonylContact O-C 3.11Å; L388-H391 WeakPolarHBondContact O-CA 3.32Å; L388-H391 WeakPolarHBondContact O-CB 3.12Å; L388-H391 PolarHBondContact O-N 3.23Å; L388-Q392 HydrophobicContact CD1-CG 4.03Å; L388-Q392 HydrophobicContact CG-CG 4.4Å; L388-Q392 WeakPolarHBondContact O-CG 3.49Å; L388-Q392 PolarHBondContact O-N 2.61Å
389	S	77.9	Confident	72.9	Confident	52 Å²	52	69.8 Å²	69.8	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-63.9	-40.2	-179.8	-176.9	0	0	0	0	113.3	K385 S386 H391 Q392	K385-S389 PolarHBondContact O-N 2.83Å; S386-S389 PolarHBondContact O-N 3.3Å; S389-H391 PolarHBondContact O-N 2.89Å; S389-Q392 PolarHBondContact O-N 2.89Å
390	D	71.4	Confident	72.5	Confident	24 Å²	24	71.8 Å²	71.8	13%	0.128	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-29	170.7	-80.1	-57.9	0	0	0	112.5	S386 L388 Y411 R412	S386-D390 PolarHBondContact O-N 2.84Å; L388-D390 PolarHBondContact O-N 2.83Å; D390-Y411 HydrophobicContact CB-CD2 4.18Å; D390-R412 VanDerWaalsContact CG-NE 3.29Å; D390-R412 WeakPolarHBondContact OD1-CG 3.33Å; D390-R412 IonicContact OD1-NE 3.98Å; D390-R412 PolarHBondContact OD1-NE 3.44Å; D390-R412 IonicContact OD2-CZ 3.15Å; D390-R412 IonicContact OD2-NE 3.29Å; D390-R412 PolarHBondContact OD2-NE 2.88Å; D390-R412 IonicContact OD2-NH2 3.29Å; D390-R412 PolarHBondContact OD2-NH2 3.44Å
391	H	75.6	Confident	72.4	Confident	22 Å²	22	69.9 Å²	69.9	10%	0.102	36%	0.363	C	S	.	.	H	α-helix	trans	-80.4	-36.7	176.6	170.7	49.6	0	0	0	113.2	C378 F382 A387 L388 S389 R393 T394 H395	C378-H391 PolarHBondContact SG-NE2 3.22Å; F382-H391 HydrophobicContact CE1-CB 4.07Å; F382-H391 HydrophobicContact CE2-CB 4Å; F382-H391 AromaticContact CE2-CD2 3.21Å; F382-H391 WeakPolarHBondContact CE2-CD2 3.43Å; F382-H391 AromaticContact CE2-CG 3.74Å; F382-H391 HydrophobicContact CZ-CB 3.57Å; F382-H391 AromaticContact CZ-CD2 3.31Å; F382-H391 WeakPolarHBondContact CZ-CD2 3.28Å; F382-H391 AromaticContact CZ-CG 3.38Å; A387-H391 WeakPolarHBondContact O-CB 3.27Å; A387-H391 PolarHBondContact O-N 3.41Å; A387-H391 VanDerWaalsContact O-N 3.08Å; L388-H391 CarbonylContact O-C 3.11Å; L388-H391 WeakPolarHBondContact O-CA 3.32Å; L388-H391 WeakPolarHBondContact O-CB 3.12Å; L388-H391 PolarHBondContact O-N 3.23Å; S389-H391 PolarHBondContact O-N 2.89Å; H391-R393 PolarHBondContact O-N 2.92Å; H391-T394 PolarHBondContact CE1-OG1 3.34Å; H391-T394 PolarHBondContact ND1-OG1 2.9Å; H391-T394 WeakPolarHBondContact O-CA 3.32Å; H391-T394 VanDerWaalsContact O-CB 3.32Å; H391-T394 WeakPolarHBondContact O-CB 3.4Å; H391-T394 PolarHBondContact O-N 2.67Å; H391-T394 PolarHBondContact O-OG1 3.03Å; H391-H395 AromaticContact CE1-CE1 3.59Å; H391-H395 AromaticContact CE1-NE2 3.43Å; H391-H395 PolarHBondContact CE1-NE2 3.11Å; H391-H395 AromaticContact NE2-CE1 3.81Å; H391-H395 AromaticContact NE2-NE2 3.27Å; H391-H395 PolarHBondContact NE2-NE2 3.47Å
392	Q	74.1	Confident	72.1	Confident	71 Å²	71	74.1 Å²	74.1	33%	0.332	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-32.8	176.4	-70.8	174.8	-76.6	0	0	111.7	L388 S389 T394 H395 T396	L388-Q392 HydrophobicContact CD1-CG 4.03Å; L388-Q392 HydrophobicContact CG-CG 4.4Å; L388-Q392 WeakPolarHBondContact O-CG 3.49Å; L388-Q392 PolarHBondContact O-N 2.61Å; S389-Q392 PolarHBondContact O-N 2.89Å; Q392-T394 PolarHBondContact O-N 3.32Å; Q392-T394 VanDerWaalsContact O-N 3.08Å; Q392-H395 PolarHBondContact O-N 2.79Å; Q392-T396 PolarHBondContact O-N 3.2Å; Q392-T396 VanDerWaalsContact O-N 3.13Å
393	R	74.3	Confident	72.2	Confident	67 Å²	67	71.8 Å²	71.8	25%	0.253	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.2	169.7	-64.5	174.1	-175.1	178.4	-0.6	114.9	H391 T396 G397 E398 Y411	H391-R393 PolarHBondContact O-N 2.92Å; R393-T396 WeakPolarHBondContact CA-OG1 3.23Å; R393-G397 PolarHBondContact O-N 3.42Å; R393-E398 PolarHBondContact O-N 2.75Å; R393-Y411 PolarHBondContact NH1-O 3.16Å
394	T	69.5	Low	72.3	Confident	87 Å²	87	77.5 Å²	77.5	53%	0.534	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.8	173.6	68.8	0	0	0	0	112.9	H391 Q392	H391-T394 PolarHBondContact CE1-OG1 3.34Å; H391-T394 PolarHBondContact ND1-OG1 2.9Å; H391-T394 WeakPolarHBondContact O-CA 3.32Å; H391-T394 VanDerWaalsContact O-CB 3.32Å; H391-T394 WeakPolarHBondContact O-CB 3.4Å; H391-T394 PolarHBondContact O-N 2.67Å; H391-T394 PolarHBondContact O-OG1 3.03Å; Q392-T394 PolarHBondContact O-N 3.32Å; Q392-T394 VanDerWaalsContact O-N 3.08Å
395	H	70.3	Confident	72.2	Confident	74 Å²	74	76.6 Å²	76.6	34%	0.343	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-44.9	171	-54.8	-49.3	0	0	0	111.4	C375 E377 C378 H391 Q392 G397	C375-H395 PolarHBondContact SG-NE2 3.01Å; E377-H395 WeakPolarHBondContact OE2-CB 3.45Å; E377-H395 IonicContact OE2-CD2 3.4Å; E377-H395 PolarHBondContact OE2-CD2 3.48Å; E377-H395 IonicContact OE2-CG 3.64Å; C378-H395 VanDerWaalsContact SG-CE1 3.52Å; C378-H395 PolarHBondContact SG-NE2 3.4Å; H391-H395 AromaticContact CE1-CE1 3.59Å; H391-H395 AromaticContact CE1-NE2 3.43Å; H391-H395 PolarHBondContact CE1-NE2 3.11Å; H391-H395 AromaticContact NE2-CE1 3.81Å; H391-H395 AromaticContact NE2-NE2 3.27Å; H391-H395 PolarHBondContact NE2-NE2 3.47Å; Q392-H395 PolarHBondContact O-N 2.79Å; H395-G397 PolarHBondContact O-N 3.15Å
396	T	66.2	Low	72.1	Confident	79 Å²	79	71.5 Å²	71.5	49%	0.485	38%	0.379	S	S	.	.	S	Bend	trans	-70.5	-14.3	176	67	0	0	0	0	113.6	Q392 R393 E398	Q392-T396 PolarHBondContact O-N 3.2Å; Q392-T396 VanDerWaalsContact O-N 3.13Å; R393-T396 WeakPolarHBondContact CA-OG1 3.23Å; T396-E398 PolarHBondContact O-N 3.28Å; T396-E398 WeakPolarHBondContact OG1-CG 3.38Å; T396-E398 PolarHBondContact OG1-OE2 3.32Å
397	G	64.3	Low	72	Confident	44 Å²	44	69.5 Å²	69.5	45%	0.454	37%	0.371	S	S	.	.			trans	73.4	1.3	-177.4	0	0	0	0	0	115	R393 H395 K399	R393-G397 PolarHBondContact O-N 3.42Å; H395-G397 PolarHBondContact O-N 3.15Å; G397-K399 PolarHBondContact O-N 3.06Å
398	E	61.8	Low	71.9	Confident	105 Å²	105	73.7 Å²	73.7	49%	0.491	38%	0.384	S	S	.	.			trans	-69	80.5	-172.4	-69.8	176.9	122.6	0	0	113.8	R393 T396 L400	R393-E398 PolarHBondContact O-N 2.75Å; T396-E398 PolarHBondContact O-N 3.28Å; T396-E398 WeakPolarHBondContact OG1-CG 3.38Å; T396-E398 PolarHBondContact OG1-OE2 3.32Å; E398-L400 VanDerWaalsContact C-N 3.29Å; E398-L400 PolarHBondContact O-N 3.19Å
399	K	65.6	Low	71.5	Confident	134 Å²	134	74.6 Å²	74.6	58%	0.583	39%	0.393	S	S	*	.			trans	-83.2	71.7	173.2	-65.6	165.6	177.8	172.5	0	110.5	G397 Y401 S409 Y410	G397-K399 PolarHBondContact O-N 3.06Å; K399-Y401 PolarHBondContact O-N 3.1Å; K399-S409 WeakPolarHBondContact O-CB 3.24Å; K399-Y410 CarbonylContact C-O 3.54Å
400	L	66.3	Low	71.4	Confident	103 Å²	103	74.7 Å²	74.7	54%	0.539	39%	0.385	S	S	.	.			trans	-52.9	-23.6	-173.1	-63.1	173.1	0	0	0	116	E398 Y410	E398-L400 VanDerWaalsContact C-N 3.29Å; E398-L400 PolarHBondContact O-N 3.19Å; L400-Y410 PolarHBondContact N-O 3.26Å
401	Y	73.8	Confident	71.3	Confident	84 Å²	84	78 Å²	78	33%	0.329	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	86.7	-174.1	-58	-73.7	0	0	0	111.5	K399 S409 Y410 K413	K399-Y401 PolarHBondContact O-N 3.1Å; Y401-S409 WeakPolarHBondContact O-CA 3.21Å; Y401-Y410 WeakPolarHBondContact CB-O 3.48Å; Y401-Y410 PolarHBondContact N-O 3.02Å; Y401-Y410 PolarHBondContact O-N 2.95Å; Y401-K413 HydrophobicContact CD1-CB 3.92Å; Y401-K413 HydrophobicContact CD1-CG 4.28Å; Y401-K413 VanDerWaalsContact CD2-N 3.28Å; Y401-K413 HydrophobicContact CE1-CB 3.8Å; Y401-K413 HydrophobicContact CE1-CG 4.33Å; Y401-K413 HydrophobicContact CE2-CB 4.37Å; Y401-K413 HydrophobicContact CG-CB 4.27Å
402	K	73.3	Confident	71	Confident	127 Å²	127	81.7 Å²	81.7	55%	0.552	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	140.7	176.3	-172.4	170.7	-177.6	-176.9	0	112.1	S409 L416	K402-S409 WeakPolarHBondContact CB-OG 3.47Å; K402-S409 WeakPolarHBondContact CG-OG 3.36Å; K402-L416 WeakPolarHBondContact O-CD2 3.32Å
403	C	79.4	Confident	71	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.007	42%	0.422	C	S	.	.			trans	-85.2	126.8	165.9	-179.5	0	0	0	0	110.1	E405 G407 K408 L416 H423	C403-E405 VanDerWaalsContact C-N 3.33Å; C403-E405 PolarHBondContact O-N 3.18Å; C403-G407 VanDerWaalsContact O-CA 3.24Å; C403-G407 WeakPolarHBondContact O-CA 3.45Å; C403-G407 PolarHBondContact O-N 3.07Å; C403-K408 WeakPolarHBondContact CB-O 3.36Å; C403-K408 PolarHBondContact N-O 3.29Å; C403-L416 HydrophobicContact CB-CD1 3.59Å; C403-H423 PolarHBondContact SG-NE2 2.91Å; C403-H423 VanDerWaalsContact SG-NE2 3.44Å
404	N	76.1	Confident	70.9	Confident	149 Å²	149	85 Å²	85	80%	0.797	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-28.2	-177.5	-65.2	-2.4	0	0	0	112.8
405	E	72.9	Confident	71.2	Confident	111 Å²	111	82.3 Å²	82.3	52%	0.519	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-30	-171.7	-63.9	156.8	112.6	0	0	113.5	C403 H423	C403-E405 VanDerWaalsContact C-N 3.33Å; C403-E405 PolarHBondContact O-N 3.18Å; E405-H423 IonicContact OE2-CD2 2.79Å; E405-H423 PolarHBondContact OE2-CD2 2.63Å; E405-H423 VanDerWaalsContact OE2-CD2 3.29Å; E405-H423 IonicContact OE2-CG 3.39Å
406	C	72.9	Confident	71.6	Confident	45 Å²	45	79.6 Å²	79.6	30%	0.304	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	3.4	-175.6	73.5	0	0	0	0	114.2	K408 H419 H423	C406-K408 PolarHBondContact O-N 2.93Å; C406-H419 PolarHBondContact SG-NE2 2.88Å; C406-H423 PolarHBondContact SG-NE2 2.88Å; C406-H423 VanDerWaalsContact SG-NE2 3.38Å
407	G	72.4	Confident	72.2	Confident	35 Å²	35	79.3 Å²	79.3	36%	0.361	40%	0.4	S	S	.	.			trans	69.7	-9.9	-179.3	0	0	0	0	0	116.6	C403 S409	C403-G407 VanDerWaalsContact O-CA 3.24Å; C403-G407 WeakPolarHBondContact O-CA 3.45Å; C403-G407 PolarHBondContact O-N 3.07Å; G407-S409 PolarHBondContact O-N 3.36Å; G407-S409 PolarHBondContact O-OG 2.85Å
408	K	73.2	Confident	72.7	Confident	113 Å²	113	78.8 Å²	78.8	49%	0.491	39%	0.388	S	S	.	.			trans	-66	130.5	-177.8	-63.5	173.8	-175.7	172.8	0	110.4	C403 C406 Y410	C403-K408 WeakPolarHBondContact CB-O 3.36Å; C403-K408 PolarHBondContact N-O 3.29Å; C406-K408 PolarHBondContact O-N 2.93Å; K408-Y410 HydrophobicContact CB-CE2 4.01Å; K408-Y410 VanDerWaalsContact O-CE2 3.31Å; K408-Y410 WeakPolarHBondContact O-CE2 3.41Å
409	S	70.9	Confident	73.4	Confident	40 Å²	40	74.8 Å²	74.8	28%	0.28	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146	-173.7	-54.4	0	0	0	0	113.5	K399 Y401 K402 G407	K399-S409 WeakPolarHBondContact O-CB 3.24Å; Y401-S409 WeakPolarHBondContact O-CA 3.21Å; K402-S409 WeakPolarHBondContact CB-OG 3.47Å; K402-S409 WeakPolarHBondContact CG-OG 3.36Å; G407-S409 PolarHBondContact O-N 3.36Å; G407-S409 PolarHBondContact O-OG 2.85Å
410	Y	75.8	Confident	73.8	Confident	53 Å²	53	71.6 Å²	71.6	21%	0.208	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.3	-169.6	-62.4	-90.6	0	0	0	112.4	K399 L400 Y401 K408 L416 H419	K399-Y410 CarbonylContact C-O 3.54Å; L400-Y410 PolarHBondContact N-O 3.26Å; Y401-Y410 WeakPolarHBondContact CB-O 3.48Å; Y401-Y410 PolarHBondContact N-O 3.02Å; Y401-Y410 PolarHBondContact O-N 2.95Å; K408-Y410 HydrophobicContact CB-CE2 4.01Å; K408-Y410 VanDerWaalsContact O-CE2 3.31Å; K408-Y410 WeakPolarHBondContact O-CE2 3.41Å; Y410-L416 HydrophobicContact CD2-CB 4.16Å; Y410-L416 HydrophobicContact CD2-CD1 4.01Å; Y410-L416 HydrophobicContact CE2-CD1 4.38Å; Y410-L416 HydrophobicContact CG-CB 4.4Å; Y410-H419 HydrophobicContact CE1-CB 4.42Å; Y410-H419 HydrophobicContact CE2-CB 4.15Å; Y410-H419 AromaticContact CE2-CD2 3.35Å; Y410-H419 WeakPolarHBondContact CE2-CD2 3.2Å; Y410-H419 AromaticContact CE2-CG 3.95Å; Y410-H419 AromaticContact CZ-CD2 3.5Å; Y410-H419 AromaticContact CZ-CG 3.71Å; Y410-H419 PolarHBondContact OH-CD2 3.2Å; Y410-H419 VanDerWaalsContact OH-CG 3.26Å; Y410-H419 PolarHBondContact OH-NE2 3.31Å
411	Y	68.6	Low	74.5	Confident	94 Å²	94	68.9 Å²	68.9	37%	0.369	34%	0.339	S	S	.	.	S	Bend	trans	-84.2	-17.6	-179.3	59	-79.5	0	0	0	113.6	D390 R393	D390-Y411 HydrophobicContact CB-CD2 4.18Å; R393-Y411 PolarHBondContact NH1-O 3.16Å
412	R	70.1	Confident	74.5	Confident	100 Å²	100	69.2 Å²	69.2	38%	0.377	35%	0.35	S	S	.	.	S	Bend	trans	-130.7	143.1	175	-67	170	-179.8	166.9	-0.1	112.3	D390 S414 T415 L416	D390-R412 VanDerWaalsContact CG-NE 3.29Å; D390-R412 WeakPolarHBondContact OD1-CG 3.33Å; D390-R412 IonicContact OD1-NE 3.98Å; D390-R412 PolarHBondContact OD1-NE 3.44Å; D390-R412 IonicContact OD2-CZ 3.15Å; D390-R412 IonicContact OD2-NE 3.29Å; D390-R412 PolarHBondContact OD2-NE 2.88Å; D390-R412 IonicContact OD2-NH2 3.29Å; D390-R412 PolarHBondContact OD2-NH2 3.44Å; R412-S414 VanDerWaalsContact C-N 3.29Å; R412-S414 PolarHBondContact O-N 3.44Å; R412-T415 PolarHBondContact O-N 2.93Å; R412-T415 PolarHBondContact O-OG1 3.04Å; R412-L416 PolarHBondContact O-N 3.04Å
413	K	72.6	Confident	74.5	Confident	133 Å²	133	66.6 Å²	66.6	58%	0.578	34%	0.34	S	S	*	.	H	α-helix	trans	-59.6	-37	174.3	-168.9	175.8	-178.9	177.2	0	112.6	Y401 T415 L416 I417	Y401-K413 HydrophobicContact CD1-CB 3.92Å; Y401-K413 HydrophobicContact CD1-CG 4.28Å; Y401-K413 VanDerWaalsContact CD2-N 3.28Å; Y401-K413 HydrophobicContact CE1-CB 3.8Å; Y401-K413 HydrophobicContact CE1-CG 4.33Å; Y401-K413 HydrophobicContact CE2-CB 4.37Å; Y401-K413 HydrophobicContact CG-CB 4.27Å; K413-T415 PolarHBondContact O-N 3.47Å; K413-L416 PolarHBondContact O-N 2.83Å; K413-I417 HydrophobicContact CG-CD1 4.06Å; K413-I417 WeakPolarHBondContact O-CG1 3.29Å; K413-I417 PolarHBondContact O-N 3.16Å
414	S	73	Confident	74.1	Confident	73 Å²	73	70 Å²	70	51%	0.51	36%	0.361	S	S	.	.	H	α-helix	trans	-65.1	-38.1	177.8	53	0	0	0	0	113	R412 I417 T418	R412-S414 VanDerWaalsContact C-N 3.29Å; R412-S414 PolarHBondContact O-N 3.44Å; S414-I417 PolarHBondContact O-N 3.5Å; S414-T418 WeakPolarHBondContact O-CG2 3.27Å; S414-T418 PolarHBondContact O-N 3.04Å; S414-T418 VanDerWaalsContact O-N 3.09Å; S414-T418 PolarHBondContact O-OG1 2.88Å
415	T	76.6	Confident	74	Confident	31 Å²	31	65 Å²	65	19%	0.19	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-42.1	173.5	37.1	0	0	0	0	111.8	R412 K413 T418 H419	R412-T415 PolarHBondContact O-N 2.93Å; R412-T415 PolarHBondContact O-OG1 3.04Å; K413-T415 PolarHBondContact O-N 3.47Å; T415-T418 PolarHBondContact O-N 3.32Å; T415-T418 PolarHBondContact O-OG1 3.19Å; T415-H419 PolarHBondContact O-N 3.04Å
416	L	78.6	Confident	74	Confident	17 Å²	17	64 Å²	64	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-49.6	173.9	171.9	61.6	0	0	0	111.6	K402 C403 Y410 R412 K413 T418 H419 Q420	K402-L416 WeakPolarHBondContact O-CD2 3.32Å; C403-L416 HydrophobicContact CB-CD1 3.59Å; Y410-L416 HydrophobicContact CD2-CB 4.16Å; Y410-L416 HydrophobicContact CD2-CD1 4.01Å; Y410-L416 HydrophobicContact CE2-CD1 4.38Å; Y410-L416 HydrophobicContact CG-CB 4.4Å; R412-L416 PolarHBondContact O-N 3.04Å; K413-L416 PolarHBondContact O-N 2.83Å; L416-T418 VanDerWaalsContact C-N 3.3Å; L416-T418 PolarHBondContact O-N 3.19Å; L416-H419 CarbonylContact O-C 3.55Å; L416-H419 WeakPolarHBondContact O-CA 3.45Å; L416-H419 WeakPolarHBondContact O-CB 3.45Å; L416-H419 PolarHBondContact O-N 3.28Å; L416-Q420 HydrophobicContact CD1-CG 4.01Å; L416-Q420 HydrophobicContact CG-CG 4.38Å; L416-Q420 PolarHBondContact O-N 3.31Å
417	I	77.4	Confident	74.3	Confident	74 Å²	74	67.8 Å²	67.8	38%	0.379	35%	0.351	S	S	.	.	H	α-helix	trans	-58	-43.2	178.6	-68	164.2	0	0	0	111	K413 S414 H419 Q420	K413-I417 HydrophobicContact CG-CD1 4.06Å; K413-I417 WeakPolarHBondContact O-CG1 3.29Å; K413-I417 PolarHBondContact O-N 3.16Å; S414-I417 PolarHBondContact O-N 3.5Å; I417-H419 PolarHBondContact O-N 2.86Å; I417-Q420 PolarHBondContact O-N 3.3Å
418	T	74.9	Confident	74.4	Confident	32 Å²	32	69.4 Å²	69.4	20%	0.196	36%	0.355	C	S	.	.	H	α-helix	trans	-71.2	-13	175.7	66.9	0	0	0	0	114.6	S414 T415 L416 R440	S414-T418 WeakPolarHBondContact O-CG2 3.27Å; S414-T418 PolarHBondContact O-N 3.04Å; S414-T418 VanDerWaalsContact O-N 3.09Å; S414-T418 PolarHBondContact O-OG1 2.88Å; T415-T418 PolarHBondContact O-N 3.32Å; T415-T418 PolarHBondContact O-OG1 3.19Å; L416-T418 VanDerWaalsContact C-N 3.3Å; L416-T418 PolarHBondContact O-N 3.19Å; T418-R440 HydrophobicContact CG2-CG 4.43Å; T418-R440 PolarHBondContact OG1-NH2 3.05Å
419	H	76.8	Confident	74.6	Confident	21 Å²	21	67.5 Å²	67.5	10%	0.097	35%	0.345	C	S	.	.	H	α-helix	trans	-89	-37.6	171.6	173.2	42.5	0	0	0	112	C406 Y410 T415 L416 I417 R421 T422 H423	C406-H419 PolarHBondContact SG-NE2 2.88Å; Y410-H419 HydrophobicContact CE1-CB 4.42Å; Y410-H419 HydrophobicContact CE2-CB 4.15Å; Y410-H419 AromaticContact CE2-CD2 3.35Å; Y410-H419 WeakPolarHBondContact CE2-CD2 3.2Å; Y410-H419 AromaticContact CE2-CG 3.95Å; Y410-H419 AromaticContact CZ-CD2 3.5Å; Y410-H419 AromaticContact CZ-CG 3.71Å; Y410-H419 PolarHBondContact OH-CD2 3.2Å; Y410-H419 VanDerWaalsContact OH-CG 3.26Å; Y410-H419 PolarHBondContact OH-NE2 3.31Å; T415-H419 PolarHBondContact O-N 3.04Å; L416-H419 CarbonylContact O-C 3.55Å; L416-H419 WeakPolarHBondContact O-CA 3.45Å; L416-H419 WeakPolarHBondContact O-CB 3.45Å; L416-H419 PolarHBondContact O-N 3.28Å; I417-H419 PolarHBondContact O-N 2.86Å; H419-R421 PolarHBondContact O-N 3.13Å; H419-R421 VanDerWaalsContact O-N 3.13Å; H419-T422 PolarHBondContact CE1-OG1 3.28Å; H419-T422 PolarHBondContact ND1-OG1 2.95Å; H419-T422 WeakPolarHBondContact O-CB 3.47Å; H419-T422 PolarHBondContact O-N 3.22Å; H419-T422 PolarHBondContact O-OG1 3.03Å; H419-H423 AromaticContact CD2-NE2 3.92Å; H419-H423 AromaticContact CE1-CE1 3.4Å; H419-H423 PolarHBondContact CE1-CE1 2.9Å; H419-H423 AromaticContact CE1-NE2 3.25Å; H419-H423 PolarHBondContact CE1-NE2 3.44Å; H419-H423 VanDerWaalsContact CE1-NE2 3.25Å; H419-H423 AromaticContact NE2-CE1 3.64Å; H419-H423 AromaticContact NE2-NE2 3.1Å; H419-H423 PolarHBondContact NE2-NE2 3.15Å; H419-H423 VanDerWaalsContact NE2-NE2 3.1Å
420	Q	75.2	Confident	74.6	Confident	67 Å²	67	70.8 Å²	70.8	31%	0.313	36%	0.357	S	S	.	.	H	α-helix	trans	-56.8	-32.7	175.8	-68.3	173.6	-82.1	0	0	111.7	L416 I417 T422 H423 T424	L416-Q420 HydrophobicContact CD1-CG 4.01Å; L416-Q420 HydrophobicContact CG-CG 4.38Å; L416-Q420 PolarHBondContact O-N 3.31Å; I417-Q420 PolarHBondContact O-N 3.3Å; Q420-T422 PolarHBondContact O-N 3.04Å; Q420-T422 VanDerWaalsContact O-N 3.12Å; Q420-H423 PolarHBondContact O-N 2.9Å; Q420-T424 PolarHBondContact O-N 3.26Å
421	R	80.4	Confident	74.4	Confident	46 Å²	46	68.3 Å²	68.3	17%	0.174	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-14.5	170	-63.9	-174	178.1	164.6	1.6	115.9	H419 G425 E426 Y429 S439	H419-R421 PolarHBondContact O-N 3.13Å; H419-R421 VanDerWaalsContact O-N 3.13Å; R421-G425 CarbonylContact O-C 3.32Å; R421-G425 WeakPolarHBondContact O-CA 3.49Å; R421-G425 PolarHBondContact O-N 3.28Å; R421-E426 HydrophobicContact CB-CB 4.2Å; R421-E426 HydrophobicContact CG-CB 3.92Å; R421-E426 IonicContact NE-OE2 2.99Å; R421-E426 PolarHBondContact O-N 3.09Å; R421-Y429 PolarHBondContact NH1-OH 3.36Å; R421-S439 PolarHBondContact NH1-O 3.2Å
422	T	74.1	Confident	74.6	Confident	91 Å²	91	67.9 Å²	67.9	56%	0.558	36%	0.357	S	S	*	.	H	α-helix	trans	-81.1	-21.8	170.5	68.4	0	0	0	0	112.4	H419 Q420	H419-T422 PolarHBondContact CE1-OG1 3.28Å; H419-T422 PolarHBondContact ND1-OG1 2.95Å; H419-T422 WeakPolarHBondContact O-CB 3.47Å; H419-T422 PolarHBondContact O-N 3.22Å; H419-T422 PolarHBondContact O-OG1 3.03Å; Q420-T422 PolarHBondContact O-N 3.04Å; Q420-T422 VanDerWaalsContact O-N 3.12Å
423	H	72.7	Confident	74.6	Confident	73 Å²	73	68.4 Å²	68.4	34%	0.338	36%	0.364	S	S	.	.	H	α-helix	trans	-90.8	-45.7	176.3	-51.9	-46.1	0	0	0	111.1	C403 E405 C406 H419 Q420 G425	C403-H423 PolarHBondContact SG-NE2 2.91Å; C403-H423 VanDerWaalsContact SG-NE2 3.44Å; E405-H423 IonicContact OE2-CD2 2.79Å; E405-H423 PolarHBondContact OE2-CD2 2.63Å; E405-H423 VanDerWaalsContact OE2-CD2 3.29Å; E405-H423 IonicContact OE2-CG 3.39Å; C406-H423 PolarHBondContact SG-NE2 2.88Å; C406-H423 VanDerWaalsContact SG-NE2 3.38Å; H419-H423 AromaticContact CD2-NE2 3.92Å; H419-H423 AromaticContact CE1-CE1 3.4Å; H419-H423 PolarHBondContact CE1-CE1 2.9Å; H419-H423 AromaticContact CE1-NE2 3.25Å; H419-H423 PolarHBondContact CE1-NE2 3.44Å; H419-H423 VanDerWaalsContact CE1-NE2 3.25Å; H419-H423 AromaticContact NE2-CE1 3.64Å; H419-H423 AromaticContact NE2-NE2 3.1Å; H419-H423 PolarHBondContact NE2-NE2 3.15Å; H419-H423 VanDerWaalsContact NE2-NE2 3.1Å; Q420-H423 PolarHBondContact O-N 2.9Å; H423-G425 PolarHBondContact O-N 3.36Å
424	T	71.8	Confident	74.4	Confident	72 Å²	72	64.2 Å²	64.2	44%	0.442	35%	0.351	S	S	.	.	S	Bend	trans	-74.8	-11.5	176.7	66.4	0	0	0	0	113.6	Q420 E426	Q420-T424 PolarHBondContact O-N 3.26Å; T424-E426 WeakPolarHBondContact CB-OE1 3.39Å; T424-E426 PolarHBondContact O-N 3.14Å; T424-E426 VanDerWaalsContact O-N 3.16Å; T424-E426 VanDerWaalsContact OG1-CD 3.27Å; T424-E426 WeakPolarHBondContact OG1-CG 3.33Å; T424-E426 PolarHBondContact OG1-OE1 3.49Å
425	G	73.1	Confident	74.4	Confident	45 Å²	45	62.2 Å²	62.2	46%	0.464	34%	0.342	S	S	.	.			trans	70.1	1.9	-177.1	0	0	0	0	0	114.9	R421 H423 K427	R421-G425 CarbonylContact O-C 3.32Å; R421-G425 WeakPolarHBondContact O-CA 3.49Å; R421-G425 PolarHBondContact O-N 3.28Å; H423-G425 PolarHBondContact O-N 3.36Å; G425-K427 PolarHBondContact O-N 3.41Å
426	E	72.6	Confident	74.2	Confident	89 Å²	89	65.4 Å²	65.4	42%	0.416	35%	0.353	S	S	.	.			trans	-53.3	127.3	-176.5	-86.3	168.2	-118.1	0	0	113.6	R421 T424 P428 S439	R421-E426 HydrophobicContact CB-CB 4.2Å; R421-E426 HydrophobicContact CG-CB 3.92Å; R421-E426 IonicContact NE-OE2 2.99Å; R421-E426 PolarHBondContact O-N 3.09Å; T424-E426 WeakPolarHBondContact CB-OE1 3.39Å; T424-E426 PolarHBondContact O-N 3.14Å; T424-E426 VanDerWaalsContact O-N 3.16Å; T424-E426 VanDerWaalsContact OG1-CD 3.27Å; T424-E426 WeakPolarHBondContact OG1-CG 3.33Å; T424-E426 PolarHBondContact OG1-OE1 3.49Å; E426-P428 HydrophobicContact CB-CG 4.43Å; E426-S439 WeakPolarHBondContact O-CB 3.46Å
427	K	79.6	Confident	74.2	Confident	124 Å²	124	70 Å²	70	54%	0.539	37%	0.373	S	S	.	.			trans	-128.5	72.8	175.2	-68.9	166.4	-174.2	173.8	0	110.6	G425 Y429 F437 F438	G425-K427 PolarHBondContact O-N 3.41Å; K427-Y429 PolarHBondContact O-N 2.95Å; K427-F437 HydrophobicContact CB-CB 3.62Å; K427-F437 HydrophobicContact CD-CB 4.41Å; K427-F437 WeakPolarHBondContact O-CD1 3.42Å; K427-F438 CarbonylContact C-O 3.51Å; K427-F438 VanDerWaalsContact CA-O 3.28Å; K427-F438 WeakPolarHBondContact CA-O 3.25Å
428	P	75.4	Confident	74.3	Confident	69 Å²	69	68.6 Å²	68.6	45%	0.448	36%	0.364	S	S	.	.			trans	-70.6	-5.1	-167.4	-20.6	35.2	0	0	0	115.9	E426	E426-P428 HydrophobicContact CB-CG 4.43Å
429	Y	76.1	Confident	74.4	Confident	73 Å²	73	68.6 Å²	68.6	29%	0.286	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	100.2	-173.3	-48.3	-66.5	0	0	0	110.3	R421 K427 F437 F438 S439 R440 V441	R421-Y429 PolarHBondContact NH1-OH 3.36Å; K427-Y429 PolarHBondContact O-N 2.95Å; Y429-F437 CarbonylContact O-C 3.58Å; Y429-F437 WeakPolarHBondContact O-CA 3.48Å; Y429-F438 WeakPolarHBondContact CD2-O 3.4Å; Y429-F438 PolarHBondContact N-O 3.41Å; Y429-F438 VanDerWaalsContact N-O 3.11Å; Y429-F438 PolarHBondContact O-N 3.46Å; Y429-S439 WeakPolarHBondContact CE2-O 3.46Å; Y429-R440 VanDerWaalsContact CD2-C 3.41Å; Y429-V441 HydrophobicContact CD1-CG2 3.67Å; Y429-V441 HydrophobicContact CD2-CG2 4.09Å; Y429-V441 HydrophobicContact CE1-CG2 3.47Å; Y429-V441 VanDerWaalsContact CE1-CG2 3.47Å; Y429-V441 HydrophobicContact CE2-CG2 3.9Å; Y429-V441 HydrophobicContact CG-CG2 3.98Å
430	Q	72.1	Confident	74.2	Confident	110 Å²	110	71.5 Å²	71.5	51%	0.514	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	143.8	175.8	-170.6	176.7	-27.2	0	0	111.2	K436 F437 L444	Q430-K436 CarbonylContact C-O 3.57Å; Q430-F437 HydrophobicContact CB-CD1 3.81Å; Q430-F437 HydrophobicContact CB-CE1 3.65Å; Q430-F437 HydrophobicContact CB-CZ 4.25Å; Q430-F437 HydrophobicContact CG-CD1 4.16Å; Q430-F437 HydrophobicContact CG-CE1 3.78Å; Q430-F437 HydrophobicContact CG-CE2 4.29Å; Q430-F437 HydrophobicContact CG-CZ 3.85Å; Q430-F437 VanDerWaalsContact OE1-CE1 3.28Å; Q430-L444 WeakPolarHBondContact O-CD2 3.31Å
431	C	71.8	Confident	73.9	Confident	1 Å²	1	72 Å²	72	1%	0.007	38%	0.383	C	S	.	.			trans	-86.5	127.1	164.5	179.7	0	0	0	0	109.9	G435 K436 F438 L444	C431-G435 VanDerWaalsContact O-CA 3.27Å; C431-G435 WeakPolarHBondContact O-CA 3.49Å; C431-G435 PolarHBondContact O-N 2.89Å; C431-K436 PolarHBondContact N-O 3.27Å; C431-F438 HydrophobicContact CB-CE2 4.38Å; C431-L444 HydrophobicContact CB-CD1 3.53Å
432	S	72.8	Confident	73.4	Confident	84 Å²	84	73 Å²	73	59%	0.587	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-55.4	173.2	41	0	0	0	0	111.5	C434	S432-C434 PolarHBondContact O-N 3.04Å; S432-C434 VanDerWaalsContact O-N 3.08Å
433	E	69.2	Low	73.5	Confident	111 Å²	111	73.5 Å²	73.5	52%	0.519	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.6	-169.6	-47	-42.5	109.5	0	0	115.3	Y448 H451	E433-Y448 HydrophobicContact CG-CE2 3.9Å; E433-Y448 PolarHBondContact OE1-OH 2.9Å; E433-H451 HydrophobicContact CG-CB 4.35Å
434	C	69.4	Low	73.5	Confident	45 Å²	45	71.5 Å²	71.5	30%	0.304	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.5	11.9	-175.4	73.9	0	0	0	0	116	S432 K436 H447 H451	S432-C434 PolarHBondContact O-N 3.04Å; S432-C434 VanDerWaalsContact O-N 3.08Å; C434-K436 PolarHBondContact O-N 3.31Å; C434-H447 PolarHBondContact SG-NE2 2.82Å; C434-H451 WeakPolarHBondContact CB-NE2 3.21Å; C434-H451 PolarHBondContact SG-NE2 3.22Å
435	G	72	Confident	73.4	Confident	31 Å²	31	71.1 Å²	71.1	32%	0.32	38%	0.378	S	S	.	.			trans	64.2	7	176.4	0	0	0	0	0	116.1	C431 F437	C431-G435 VanDerWaalsContact O-CA 3.27Å; C431-G435 WeakPolarHBondContact O-CA 3.49Å; C431-G435 PolarHBondContact O-N 2.89Å; G435-F437 WeakPolarHBondContact O-CD2 3.32Å; G435-F437 WeakPolarHBondContact O-CE2 3.44Å
436	K	72.3	Confident	73.2	Confident	98 Å²	98	71.5 Å²	71.5	43%	0.426	37%	0.369	S	S	.	.			trans	-75	133.8	-178.6	-71.6	174.8	-165.6	148.5	0	111.5	Q430 C431 C434 F438	Q430-K436 CarbonylContact C-O 3.57Å; C431-K436 PolarHBondContact N-O 3.27Å; C434-K436 PolarHBondContact O-N 3.31Å; K436-F438 HydrophobicContact CB-CE2 3.67Å; K436-F438 HydrophobicContact CB-CZ 3.95Å; K436-F438 WeakPolarHBondContact O-CD2 3.42Å; K436-F438 VanDerWaalsContact O-CE2 3.29Å; K436-F438 WeakPolarHBondContact O-CE2 3.2Å
437	F	77.8	Confident	73.3	Confident	114 Å²	114	68.5 Å²	68.5	50%	0.5	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.6	-178.3	-66.8	-93.2	0	0	0	112.3	K427 Y429 Q430 G435	K427-F437 HydrophobicContact CB-CB 3.62Å; K427-F437 HydrophobicContact CD-CB 4.41Å; K427-F437 WeakPolarHBondContact O-CD1 3.42Å; Y429-F437 CarbonylContact O-C 3.58Å; Y429-F437 WeakPolarHBondContact O-CA 3.48Å; Q430-F437 HydrophobicContact CB-CD1 3.81Å; Q430-F437 HydrophobicContact CB-CE1 3.65Å; Q430-F437 HydrophobicContact CB-CZ 4.25Å; Q430-F437 HydrophobicContact CG-CD1 4.16Å; Q430-F437 HydrophobicContact CG-CE1 3.78Å; Q430-F437 HydrophobicContact CG-CE2 4.29Å; Q430-F437 HydrophobicContact CG-CZ 3.85Å; Q430-F437 VanDerWaalsContact OE1-CE1 3.28Å; G435-F437 WeakPolarHBondContact O-CD2 3.32Å; G435-F437 WeakPolarHBondContact O-CE2 3.44Å
438	F	80.2	Confident	72.7	Confident	44 Å²	44	66.7 Å²	66.7	19%	0.193	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.5	-178.4	-61.2	-90.2	0	0	0	112.4	K427 Y429 C431 K436 L444 H447	K427-F438 CarbonylContact C-O 3.51Å; K427-F438 VanDerWaalsContact CA-O 3.28Å; K427-F438 WeakPolarHBondContact CA-O 3.25Å; Y429-F438 WeakPolarHBondContact CD2-O 3.4Å; Y429-F438 PolarHBondContact N-O 3.41Å; Y429-F438 VanDerWaalsContact N-O 3.11Å; Y429-F438 PolarHBondContact O-N 3.46Å; C431-F438 HydrophobicContact CB-CE2 4.38Å; K436-F438 HydrophobicContact CB-CE2 3.67Å; K436-F438 HydrophobicContact CB-CZ 3.95Å; K436-F438 WeakPolarHBondContact O-CD2 3.42Å; K436-F438 VanDerWaalsContact O-CE2 3.29Å; K436-F438 WeakPolarHBondContact O-CE2 3.2Å; F438-L444 HydrophobicContact CB-CB 4.23Å; F438-L444 HydrophobicContact CD2-CB 4.01Å; F438-L444 HydrophobicContact CD2-CD1 3.92Å; F438-L444 HydrophobicContact CE2-CD1 4.16Å; F438-L444 HydrophobicContact CG-CB 4.21Å; F438-H447 HydrophobicContact CE1-CB 4.08Å; F438-H447 HydrophobicContact CE2-CB 4.21Å; F438-H447 AromaticContact CE2-CD2 3.33Å; F438-H447 WeakPolarHBondContact CE2-CD2 3.42Å; F438-H447 HydrophobicContact CZ-CB 3.69Å; F438-H447 AromaticContact CZ-CD2 3.17Å; F438-H447 WeakPolarHBondContact CZ-CD2 3.4Å; F438-H447 AromaticContact CZ-CG 3.48Å; F438-H447 VanDerWaalsContact CZ-CG 3.48Å; F438-H447 AromaticContact CZ-NE2 3.96Å
439	S	77.4	Confident	72.4	Confident	33 Å²	33	66.4 Å²	66.4	23%	0.231	34%	0.336	C	S	.	.	S	Bend	trans	-82	-14.6	180	57.6	0	0	0	0	114.6	R421 E426 Y429	R421-S439 PolarHBondContact NH1-O 3.2Å; E426-S439 WeakPolarHBondContact O-CB 3.46Å; Y429-S439 WeakPolarHBondContact CE2-O 3.46Å
440	R	73.3	Confident	72.1	Confident	82 Å²	82	65.8 Å²	65.8	31%	0.309	34%	0.342	S	S	.	.	S	Bend	trans	-138.9	138.5	177	-62	-176.5	172.8	140.7	-3.4	111	T418 Y429 S442 Y443 L444	T418-R440 HydrophobicContact CG2-CG 4.43Å; T418-R440 PolarHBondContact OG1-NH2 3.05Å; Y429-R440 VanDerWaalsContact CD2-C 3.41Å; R440-S442 PolarHBondContact O-N 3.18Å; R440-Y443 HydrophobicContact CB-CD2 3.74Å; R440-Y443 HydrophobicContact CB-CE2 4.08Å; R440-Y443 HydrophobicContact CB-CG 4.36Å; R440-Y443 HydrophobicContact CG-CD2 4.14Å; R440-Y443 HydrophobicContact CG-CE2 4.01Å; R440-Y443 PolarHBondContact NH1-OH 3.25Å; R440-Y443 PolarHBondContact O-N 3.03Å; R440-L444 PolarHBondContact O-N 2.82Å
441	V	67.4	Low	71.9	Confident	77 Å²	77	64.4 Å²	64.4	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-53.3	-40.8	175.4	-176.6	0	0	0	0	111.6	Y429 Y443 L444 T445	Y429-V441 HydrophobicContact CD1-CG2 3.67Å; Y429-V441 HydrophobicContact CD2-CG2 4.09Å; Y429-V441 HydrophobicContact CE1-CG2 3.47Å; Y429-V441 VanDerWaalsContact CE1-CG2 3.47Å; Y429-V441 HydrophobicContact CE2-CG2 3.9Å; Y429-V441 HydrophobicContact CG-CG2 3.98Å; V441-Y443 VanDerWaalsContact C-N 3.27Å; V441-Y443 PolarHBondContact O-N 3.29Å; V441-L444 CarbonylContact O-C 3.51Å; V441-L444 WeakPolarHBondContact O-CA 3.34Å; V441-L444 WeakPolarHBondContact O-CB 3.18Å; V441-L444 PolarHBondContact O-N 3.06Å; V441-T445 PolarHBondContact O-N 2.9Å; V441-T445 PolarHBondContact O-OG1 3.2Å; V441-T445 VanDerWaalsContact O-OG1 3.08Å
442	S	70.4	Confident	71.5	Confident	66 Å²	66	68.8 Å²	68.8	46%	0.462	36%	0.358	S	S	.	.	H	α-helix	trans	-60.7	-32	179.5	51.9	0	0	0	0	113.9	R440 I446	R440-S442 PolarHBondContact O-N 3.18Å; S442-I446 WeakPolarHBondContact O-CD1 3.38Å; S442-I446 VanDerWaalsContact O-CG1 3.23Å; S442-I446 WeakPolarHBondContact O-CG1 3.35Å; S442-I446 PolarHBondContact O-N 3.39Å; S442-I446 VanDerWaalsContact O-N 3.1Å
443	Y	76	Confident	70.8	Confident	103 Å²	103	71.6 Å²	71.6	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-75	-37.2	173.9	-60.1	-39.2	0	0	0	111.6	R440 V441 I446 H447	R440-Y443 HydrophobicContact CB-CD2 3.74Å; R440-Y443 HydrophobicContact CB-CE2 4.08Å; R440-Y443 HydrophobicContact CB-CG 4.36Å; R440-Y443 HydrophobicContact CG-CD2 4.14Å; R440-Y443 HydrophobicContact CG-CE2 4.01Å; R440-Y443 PolarHBondContact NH1-OH 3.25Å; R440-Y443 PolarHBondContact O-N 3.03Å; V441-Y443 VanDerWaalsContact C-N 3.27Å; V441-Y443 PolarHBondContact O-N 3.29Å; Y443-I446 PolarHBondContact O-N 3.16Å; Y443-H447 WeakPolarHBondContact O-CB 3.31Å; Y443-H447 PolarHBondContact O-N 3.3Å
444	L	72.8	Confident	70.2	Confident	30 Å²	30	70.8 Å²	70.8	16%	0.157	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-46.3	170.1	173.1	59.9	0	0	0	111.2	Q430 C431 F438 R440 V441 I446 H447 Y448	Q430-L444 WeakPolarHBondContact O-CD2 3.31Å; C431-L444 HydrophobicContact CB-CD1 3.53Å; F438-L444 HydrophobicContact CB-CB 4.23Å; F438-L444 HydrophobicContact CD2-CB 4.01Å; F438-L444 HydrophobicContact CD2-CD1 3.92Å; F438-L444 HydrophobicContact CE2-CD1 4.16Å; F438-L444 HydrophobicContact CG-CB 4.21Å; R440-L444 PolarHBondContact O-N 2.82Å; V441-L444 CarbonylContact O-C 3.51Å; V441-L444 WeakPolarHBondContact O-CA 3.34Å; V441-L444 WeakPolarHBondContact O-CB 3.18Å; V441-L444 PolarHBondContact O-N 3.06Å; L444-I446 PolarHBondContact O-N 3.08Å; L444-H447 CarbonylContact O-C 3.59Å; L444-H447 WeakPolarHBondContact O-CB 3.49Å; L444-H447 PolarHBondContact O-N 3.46Å; L444-H447 VanDerWaalsContact O-N 3.13Å; L444-Y448 WeakPolarHBondContact O-CB 3.15Å; L444-Y448 PolarHBondContact O-N 3.31Å
445	T	69.9	Low	70.1	Confident	64 Å²	64	73.3 Å²	73.3	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-40.5	178.3	-48.7	0	0	0	0	112.6	V441 H447 Y448 R449	V441-T445 PolarHBondContact O-N 2.9Å; V441-T445 PolarHBondContact O-OG1 3.2Å; V441-T445 VanDerWaalsContact O-OG1 3.08Å; T445-H447 VanDerWaalsContact C-N 3.3Å; T445-H447 PolarHBondContact O-N 3.16Å; T445-Y448 PolarHBondContact O-N 3.24Å; T445-R449 PolarHBondContact O-N 2.83Å
446	I	69.4	Low	69.8	Low	54 Å²	54	75.3 Å²	75.3	28%	0.277	37%	0.371	S	S	.	.	H	α-helix	trans	-65.1	-36.9	174.6	-70.9	164.6	0	0	0	110.8	S442 Y443 L444 L468	S442-I446 WeakPolarHBondContact O-CD1 3.38Å; S442-I446 VanDerWaalsContact O-CG1 3.23Å; S442-I446 WeakPolarHBondContact O-CG1 3.35Å; S442-I446 PolarHBondContact O-N 3.39Å; S442-I446 VanDerWaalsContact O-N 3.1Å; Y443-I446 PolarHBondContact O-N 3.16Å; L444-I446 PolarHBondContact O-N 3.08Å; I446-L468 HydrophobicContact CD1-CD2 4.14Å; I446-L468 HydrophobicContact CG2-CD1 3.71Å; I446-L468 HydrophobicContact CG2-CD2 4.16Å; I446-L468 HydrophobicContact CG2-CG 3.89Å
447	H	74.6	Confident	69.8	Low	26 Å²	26	73.9 Å²	73.9	12%	0.12	36%	0.364	C	S	.	.	H	α-helix	trans	-71.3	-36.9	175.1	179.5	40.8	0	0	0	113	C434 F438 Y443 L444 T445 R449 S450 H451	C434-H447 PolarHBondContact SG-NE2 2.82Å; F438-H447 HydrophobicContact CE1-CB 4.08Å; F438-H447 HydrophobicContact CE2-CB 4.21Å; F438-H447 AromaticContact CE2-CD2 3.33Å; F438-H447 WeakPolarHBondContact CE2-CD2 3.42Å; F438-H447 HydrophobicContact CZ-CB 3.69Å; F438-H447 AromaticContact CZ-CD2 3.17Å; F438-H447 WeakPolarHBondContact CZ-CD2 3.4Å; F438-H447 AromaticContact CZ-CG 3.48Å; F438-H447 VanDerWaalsContact CZ-CG 3.48Å; F438-H447 AromaticContact CZ-NE2 3.96Å; Y443-H447 WeakPolarHBondContact O-CB 3.31Å; Y443-H447 PolarHBondContact O-N 3.3Å; L444-H447 CarbonylContact O-C 3.59Å; L444-H447 WeakPolarHBondContact O-CB 3.49Å; L444-H447 PolarHBondContact O-N 3.46Å; L444-H447 VanDerWaalsContact O-N 3.13Å; T445-H447 VanDerWaalsContact C-N 3.3Å; T445-H447 PolarHBondContact O-N 3.16Å; H447-R449 VanDerWaalsContact C-N 3.27Å; H447-R449 PolarHBondContact O-N 2.99Å; H447-S450 PolarHBondContact ND1-OG 2.81Å; H447-S450 WeakPolarHBondContact O-CA 3.48Å; H447-S450 WeakPolarHBondContact O-CB 3.38Å; H447-S450 PolarHBondContact O-N 3.42Å; H447-S450 PolarHBondContact O-OG 3Å; H447-H451 AromaticContact CE1-NE2 3.74Å; H447-H451 AromaticContact NE2-NE2 3.88Å
448	Y	65.6	Low	69.6	Low	85 Å²	85	73.5 Å²	73.5	33%	0.333	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-38.5	-179.7	-155.7	-91.5	0	0	0	112.1	E433 L444 T445 S450 H451 L452	E433-Y448 HydrophobicContact CG-CE2 3.9Å; E433-Y448 PolarHBondContact OE1-OH 2.9Å; L444-Y448 WeakPolarHBondContact O-CB 3.15Å; L444-Y448 PolarHBondContact O-N 3.31Å; T445-Y448 PolarHBondContact O-N 3.24Å; Y448-S450 PolarHBondContact O-N 2.64Å; Y448-S450 VanDerWaalsContact O-N 3.14Å; Y448-H451 WeakPolarHBondContact O-CB 3.46Å; Y448-H451 PolarHBondContact O-N 3.38Å; Y448-L452 HydrophobicContact CD1-CD1 3.85Å; Y448-L452 HydrophobicContact CD1-CG 4.15Å; Y448-L452 HydrophobicContact CE1-CD1 3.92Å; Y448-L452 HydrophobicContact CE1-CD2 4.29Å; Y448-L452 HydrophobicContact CE1-CG 4.12Å; Y448-L452 PolarHBondContact O-N 2.88Å
449	R	70.6	Confident	69.3	Low	64 Å²	64	71.4 Å²	71.4	24%	0.242	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.7	171.4	-65.2	175.2	-172	158.6	2.3	114.5	T445 H447 H451 E453 E454	T445-R449 PolarHBondContact O-N 2.83Å; H447-R449 VanDerWaalsContact C-N 3.27Å; H447-R449 PolarHBondContact O-N 2.99Å; R449-H451 VanDerWaalsContact C-N 3.32Å; R449-E453 PolarHBondContact O-N 3Å; R449-E454 HydrophobicContact CB-CB 4.39Å; R449-E454 HydrophobicContact CG-CB 4.49Å; R449-E454 PolarHBondContact O-N 3.5Å
450	S	68.4	Low	69.1	Low	59 Å²	59	77 Å²	77	41%	0.413	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.4	172.6	69.5	0	0	0	0	114.1	H447 Y448	H447-S450 PolarHBondContact ND1-OG 2.81Å; H447-S450 WeakPolarHBondContact O-CA 3.48Å; H447-S450 WeakPolarHBondContact O-CB 3.38Å; H447-S450 PolarHBondContact O-N 3.42Å; H447-S450 PolarHBondContact O-OG 3Å; Y448-S450 PolarHBondContact O-N 2.64Å; Y448-S450 VanDerWaalsContact O-N 3.14Å
451	H	68.8	Low	68.9	Low	82 Å²	82	78.2 Å²	78.2	38%	0.38	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-39.9	167.9	-61.9	-58.6	0	0	0	112	E433 C434 H447 Y448 R449 E453	E433-H451 HydrophobicContact CG-CB 4.35Å; C434-H451 WeakPolarHBondContact CB-NE2 3.21Å; C434-H451 PolarHBondContact SG-NE2 3.22Å; H447-H451 AromaticContact CE1-NE2 3.74Å; H447-H451 AromaticContact NE2-NE2 3.88Å; Y448-H451 WeakPolarHBondContact O-CB 3.46Å; Y448-H451 PolarHBondContact O-N 3.38Å; R449-H451 VanDerWaalsContact C-N 3.32Å; H451-E453 PolarHBondContact O-N 3.4Å
452	L	63.6	Low	69.1	Low	93 Å²	93	77 Å²	77	49%	0.487	39%	0.385	S	S	.	.	S	Bend	trans	-75.5	0.2	178.2	-58.4	177.1	0	0	0	114.2	Y448 E454	Y448-L452 HydrophobicContact CD1-CD1 3.85Å; Y448-L452 HydrophobicContact CD1-CG 4.15Å; Y448-L452 HydrophobicContact CE1-CD1 3.92Å; Y448-L452 HydrophobicContact CE1-CD2 4.29Å; Y448-L452 HydrophobicContact CE1-CG 4.12Å; Y448-L452 PolarHBondContact O-N 2.88Å; L452-E454 HydrophobicContact CB-CB 4.3Å; L452-E454 HydrophobicContact CB-CG 3.89Å; L452-E454 HydrophobicContact CD1-CG 4.45Å; L452-E454 PolarHBondContact O-N 3.45Å
453	E	57.5	Low	69.1	Low	143 Å²	143	76 Å²	76	67%	0.668	39%	0.385	S	S	*	.			trans	52.5	-1.3	-165.7	-64.8	-123.2	134.4	0	0	116.5	R449 H451 K455	R449-E453 PolarHBondContact O-N 3Å; H451-E453 PolarHBondContact O-N 3.4Å; E453-K455 WeakPolarHBondContact O-CG 3.48Å; E453-K455 PolarHBondContact O-N 3.06Å
454	E	58	Low	68.9	Low	94 Å²	94	76.7 Å²	76.7	44%	0.439	39%	0.39	S	S	.	.			trans	-48.6	121.4	177.5	-79.3	-175.4	-173.6	0	0	112.7	R449 L452 P456	R449-E454 HydrophobicContact CB-CB 4.39Å; R449-E454 HydrophobicContact CG-CB 4.49Å; R449-E454 PolarHBondContact O-N 3.5Å; L452-E454 HydrophobicContact CB-CB 4.3Å; L452-E454 HydrophobicContact CB-CG 3.89Å; L452-E454 HydrophobicContact CD1-CG 4.45Å; L452-E454 PolarHBondContact O-N 3.45Å; E454-P456 HydrophobicContact CB-CG 4.3Å; E454-P456 WeakPolarHBondContact O-CD 3.16Å
455	K	66.5	Low	68.8	Low	97 Å²	97	78 Å²	78	42%	0.422	40%	0.4	S	S	.	.			trans	-123.5	73.4	172.7	-67	157.2	-158.5	150.6	0	109	E453 Y457 T465 F466	E453-K455 WeakPolarHBondContact O-CG 3.48Å; E453-K455 PolarHBondContact O-N 3.06Å; K455-Y457 PolarHBondContact O-N 3Å; K455-T465 VanDerWaalsContact CD-OG1 3.31Å; K455-T465 WeakPolarHBondContact CD-OG1 3.36Å; K455-F466 CarbonylContact C-O 3.56Å; K455-F466 VanDerWaalsContact CA-O 3.24Å; K455-F466 WeakPolarHBondContact CA-O 3.48Å
456	P	66.2	Low	69	Low	73 Å²	73	77.1 Å²	77.1	47%	0.474	39%	0.391	S	S	.	.			trans	-70	7.4	-166.3	-18.6	33.8	0	0	0	115.4	E454	E454-P456 HydrophobicContact CB-CG 4.3Å; E454-P456 WeakPolarHBondContact O-CD 3.16Å
457	Y	71.1	Confident	68.9	Low	68 Å²	68	77.3 Å²	77.3	27%	0.267	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	84	-179.3	-52.7	-74.8	0	0	0	108.3	K455 F466 N469 F472	K455-Y457 PolarHBondContact O-N 3Å; Y457-F466 WeakPolarHBondContact CD2-O 3.38Å; Y457-F466 PolarHBondContact N-O 3.1Å; Y457-F466 PolarHBondContact O-N 3.28Å; Y457-N469 HydrophobicContact CD1-CB 4.14Å; Y457-N469 HydrophobicContact CD2-CB 4.44Å; Y457-N469 HydrophobicContact CE1-CB 3.74Å; Y457-N469 HydrophobicContact CE2-CB 4.06Å; Y457-N469 HydrophobicContact CG-CB 4.49Å; Y457-F472 HydrophobicContact CD1-CD1 4.44Å; Y457-F472 HydrophobicContact CG-CB 4.29Å
458	E	73.5	Confident	68.7	Low	107 Å²	107	78.7 Å²	78.7	50%	0.5	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	144.2	172.9	-174	165.6	174.3	0	0	111.2	T465 F472	E458-T465 HydrophobicContact CB-CG2 3.91Å; E458-T465 HydrophobicContact CG-CG2 3.77Å; E458-F472 WeakPolarHBondContact O-CE2 3.19Å
459	C	74.7	Confident	68.7	Low	0 Å²	0	78.3 Å²	78.3	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	97.9	170.6	-177.2	0	0	0	0	110.4	E461 C462 G463 K464 F472 H479	C459-E461 PolarHBondContact O-N 3.34Å; C459-C462 PolarHBondContact O-N 3.44Å; C459-G463 PolarHBondContact O-N 3.2Å; C459-K464 WeakPolarHBondContact CB-O 3.5Å; C459-K464 PolarHBondContact N-O 3.33Å; C459-F472 HydrophobicContact CB-CD2 4.43Å; C459-F472 HydrophobicContact CB-CE2 3.99Å; C459-H479 PolarHBondContact SG-CD2 2.86Å; C459-H479 PolarHBondContact SG-NE2 2.99Å
460	N	73.4	Confident	68.7	Low	151 Å²	151	79.3 Å²	79.3	81%	0.807	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-25.5	179	-54.1	21	0	0	0	113.5
461	E	69.6	Low	68.8	Low	107 Å²	107	77.5 Å²	77.5	50%	0.5	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.2	-178.9	-61.8	158.6	-89.5	0	0	113.4	C459 R476 H479	C459-E461 PolarHBondContact O-N 3.34Å; E461-R476 WeakPolarHBondContact OE1-CG 3.38Å; E461-H479 HydrophobicContact CB-CB 4.49Å; E461-H479 IonicContact OE1-CD2 3.22Å; E461-H479 WeakPolarHBondContact OE2-CB 3.37Å; E461-H479 IonicContact OE2-CD2 2.73Å; E461-H479 IonicContact OE2-CG 3.59Å
462	C	70.9	Confident	68.9	Low	50 Å²	50	75 Å²	75	34%	0.338	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.9	14.1	179	70.5	0	0	0	0	116.7	C459 K464 H475 H479	C459-C462 PolarHBondContact O-N 3.44Å; C462-K464 PolarHBondContact O-N 3.23Å; C462-K464 VanDerWaalsContact O-N 3.08Å; C462-H475 PolarHBondContact SG-NE2 3.26Å; C462-H479 PolarHBondContact SG-CE1 2.91Å; C462-H479 PolarHBondContact SG-NE2 3.02Å
463	G	69.4	Low	69.1	Low	46 Å²	46	74 Å²	74	47%	0.474	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	5.5	179	0	0	0	0	0	115.9	C459 T465	C459-G463 PolarHBondContact O-N 3.2Å; G463-T465 PolarHBondContact O-N 2.59Å
464	K	72.1	Confident	69.6	Low	117 Å²	117	74 Å²	74	51%	0.509	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.4	-178.7	-71	173.3	-170.7	154.1	0	110.3	C459 C462 F466	C459-K464 WeakPolarHBondContact CB-O 3.5Å; C459-K464 PolarHBondContact N-O 3.33Å; C462-K464 PolarHBondContact O-N 3.23Å; C462-K464 VanDerWaalsContact O-N 3.08Å; K464-F466 HydrophobicContact CB-CE2 3.67Å; K464-F466 HydrophobicContact CB-CZ 3.95Å; K464-F466 WeakPolarHBondContact O-CD2 3.35Å; K464-F466 VanDerWaalsContact O-CE2 3.23Å; K464-F466 WeakPolarHBondContact O-CE2 3.41Å
465	T	71.3	Confident	70.2	Confident	59 Å²	59	70.5 Å²	70.5	36%	0.362	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.2	-175	49	0	0	0	0	111.7	K455 E458 G463	K455-T465 VanDerWaalsContact CD-OG1 3.31Å; K455-T465 WeakPolarHBondContact CD-OG1 3.36Å; E458-T465 HydrophobicContact CB-CG2 3.91Å; E458-T465 HydrophobicContact CG-CG2 3.77Å; G463-T465 PolarHBondContact O-N 2.59Å
466	F	74.8	Confident	70.2	Confident	44 Å²	44	71.5 Å²	71.5	19%	0.193	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.3	-174.3	-59.4	-94.9	0	0	0	112.4	K455 Y457 K464 A471 F472 H475	K455-F466 CarbonylContact C-O 3.56Å; K455-F466 VanDerWaalsContact CA-O 3.24Å; K455-F466 WeakPolarHBondContact CA-O 3.48Å; Y457-F466 WeakPolarHBondContact CD2-O 3.38Å; Y457-F466 PolarHBondContact N-O 3.1Å; Y457-F466 PolarHBondContact O-N 3.28Å; K464-F466 HydrophobicContact CB-CE2 3.67Å; K464-F466 HydrophobicContact CB-CZ 3.95Å; K464-F466 WeakPolarHBondContact O-CD2 3.35Å; K464-F466 VanDerWaalsContact O-CE2 3.23Å; K464-F466 WeakPolarHBondContact O-CE2 3.41Å; F466-A471 HydrophobicContact CD1-CB 3.93Å; F466-F472 HydrophobicContact CB-CB 4.09Å; F466-F472 HydrophobicContact CD2-CB 4.25Å; F466-F472 HydrophobicContact CD2-CD2 4.12Å; F466-F472 HydrophobicContact CG-CB 4.26Å; F466-H475 HydrophobicContact CE1-CB 4.02Å; F466-H475 HydrophobicContact CE2-CB 3.92Å; F466-H475 AromaticContact CE2-CD2 3.18Å; F466-H475 WeakPolarHBondContact CE2-CD2 3.21Å; F466-H475 AromaticContact CE2-CG 3.65Å; F466-H475 HydrophobicContact CZ-CB 3.51Å; F466-H475 AromaticContact CZ-CD2 3.33Å; F466-H475 WeakPolarHBondContact CZ-CD2 3.48Å; F466-H475 AromaticContact CZ-CG 3.3Å
467	N	67.1	Low	70.3	Confident	59 Å²	59	72.1 Å²	72.1	32%	0.316	37%	0.366	S	S	.	.	S	Bend	trans	-89.6	-18.5	176.7	58.2	-10.6	0	0	0	114
468	L	70.1	Confident	70	Confident	55 Å²	55	74 Å²	74	29%	0.288	38%	0.384	S	S	.	.	S	Bend	trans	-118.6	130.5	173.7	-77.1	98.4	0	0	0	112	I446 S470 A471 F472	I446-L468 HydrophobicContact CD1-CD2 4.14Å; I446-L468 HydrophobicContact CG2-CD1 3.71Å; I446-L468 HydrophobicContact CG2-CD2 4.16Å; I446-L468 HydrophobicContact CG2-CG 3.89Å; L468-S470 PolarHBondContact O-N 3.42Å; L468-A471 HydrophobicContact CB-CB 4.23Å; L468-A471 WeakPolarHBondContact O-CB 3.49Å; L468-A471 PolarHBondContact O-N 3.23Å; L468-F472 PolarHBondContact O-N 3.16Å
469	N	65.9	Low	69.6	Low	77 Å²	77	71.8 Å²	71.8	41%	0.412	37%	0.373	S	S	.	.	H	α-helix	trans	-56.7	-34.3	173.2	-170	48.2	0	0	0	113	Y457 A471 F472 I473	Y457-N469 HydrophobicContact CD1-CB 4.14Å; Y457-N469 HydrophobicContact CD2-CB 4.44Å; Y457-N469 HydrophobicContact CE1-CB 3.74Å; Y457-N469 HydrophobicContact CE2-CB 4.06Å; Y457-N469 HydrophobicContact CG-CB 4.49Å; N469-A471 VanDerWaalsContact C-N 3.34Å; N469-A471 PolarHBondContact O-N 3.16Å; N469-F472 PolarHBondContact O-N 3.26Å; N469-I473 WeakPolarHBondContact O-CB 3.14Å; N469-I473 VanDerWaalsContact O-CG1 3.3Å; N469-I473 WeakPolarHBondContact O-CG1 3.38Å; N469-I473 PolarHBondContact O-N 3.38Å
470	S	69.2	Low	68.9	Low	84 Å²	84	74.2 Å²	74.2	59%	0.587	39%	0.388	S	S	*	.	H	α-helix	trans	-68.2	-32.1	176.8	50.6	0	0	0	0	113.1	L468 R474	L468-S470 PolarHBondContact O-N 3.42Å; S470-R474 WeakPolarHBondContact O-CB 3.41Å; S470-R474 PolarHBondContact O-N 2.91Å
471	A	71.9	Confident	67.9	Low	21 Å²	21	75.8 Å²	75.8	17%	0.174	39%	0.391	C	S	.	.	H	α-helix	trans	-72.9	-41.7	172.4	0	0	0	0	0	110.9	F466 L468 N469 R474 H475	F466-A471 HydrophobicContact CD1-CB 3.93Å; L468-A471 HydrophobicContact CB-CB 4.23Å; L468-A471 WeakPolarHBondContact O-CB 3.49Å; L468-A471 PolarHBondContact O-N 3.23Å; N469-A471 VanDerWaalsContact C-N 3.34Å; N469-A471 PolarHBondContact O-N 3.16Å; A471-R474 PolarHBondContact O-N 3.11Å; A471-H475 WeakPolarHBondContact O-CB 3.39Å; A471-H475 PolarHBondContact O-N 3.26Å
472	F	70.2	Confident	67.2	Low	30 Å²	30	76.8 Å²	76.8	13%	0.132	40%	0.396	C	S	.	.	H	α-helix	trans	-60.2	-51.1	174.4	170.8	-114.2	0	0	0	113.1	Y457 E458 C459 F466 L468 N469 R474 H475 R476	Y457-F472 HydrophobicContact CD1-CD1 4.44Å; Y457-F472 HydrophobicContact CG-CB 4.29Å; E458-F472 WeakPolarHBondContact O-CE2 3.19Å; C459-F472 HydrophobicContact CB-CD2 4.43Å; C459-F472 HydrophobicContact CB-CE2 3.99Å; F466-F472 HydrophobicContact CB-CB 4.09Å; F466-F472 HydrophobicContact CD2-CB 4.25Å; F466-F472 HydrophobicContact CD2-CD2 4.12Å; F466-F472 HydrophobicContact CG-CB 4.26Å; L468-F472 PolarHBondContact O-N 3.16Å; N469-F472 PolarHBondContact O-N 3.26Å; F472-R474 VanDerWaalsContact C-N 3.33Å; F472-R474 PolarHBondContact O-N 3.16Å; F472-H475 CarbonylContact O-C 3.59Å; F472-H475 WeakPolarHBondContact O-CA 3.49Å; F472-H475 WeakPolarHBondContact O-CB 3.49Å; F472-H475 PolarHBondContact O-N 3.32Å; F472-R476 PolarHBondContact O-N 3.26Å
473	I	67.9	Low	66.2	Low	71 Å²	71	79.3 Å²	79.3	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-63.4	-38.5	179.5	-66.9	-65.3	0	0	0	111.5	N469 H475 R476 K477	N469-I473 WeakPolarHBondContact O-CB 3.14Å; N469-I473 VanDerWaalsContact O-CG1 3.3Å; N469-I473 WeakPolarHBondContact O-CG1 3.38Å; N469-I473 PolarHBondContact O-N 3.38Å; I473-H475 VanDerWaalsContact C-N 3.26Å; I473-H475 PolarHBondContact O-N 3.12Å; I473-R476 PolarHBondContact O-N 3.06Å; I473-K477 PolarHBondContact O-N 3.22Å
474	R	67.3	Low	65.7	Low	143 Å²	143	80 Å²	80	54%	0.54	40%	0.398	S	S	.	.	H	α-helix	trans	-64.8	-30.4	171.5	-177.8	174.3	62.1	-167.6	-3.7	112.4	S470 A471 F472 Q495	S470-R474 WeakPolarHBondContact O-CB 3.41Å; S470-R474 PolarHBondContact O-N 2.91Å; A471-R474 PolarHBondContact O-N 3.11Å; F472-R474 VanDerWaalsContact C-N 3.33Å; F472-R474 PolarHBondContact O-N 3.16Å; R474-Q495 VanDerWaalsContact NH1-OE1 3.13Å
475	H	71	Confident	64.9	Low	22 Å²	22	77.9 Å²	77.9	10%	0.102	39%	0.39	C	S	.	.	H	α-helix	trans	-78.6	-38.8	176	174.5	51.3	0	0	0	113.1	C462 F466 A471 F472 I473 K477 V478 H479	C462-H475 PolarHBondContact SG-NE2 3.26Å; F466-H475 HydrophobicContact CE1-CB 4.02Å; F466-H475 HydrophobicContact CE2-CB 3.92Å; F466-H475 AromaticContact CE2-CD2 3.18Å; F466-H475 WeakPolarHBondContact CE2-CD2 3.21Å; F466-H475 AromaticContact CE2-CG 3.65Å; F466-H475 HydrophobicContact CZ-CB 3.51Å; F466-H475 AromaticContact CZ-CD2 3.33Å; F466-H475 WeakPolarHBondContact CZ-CD2 3.48Å; F466-H475 AromaticContact CZ-CG 3.3Å; A471-H475 WeakPolarHBondContact O-CB 3.39Å; A471-H475 PolarHBondContact O-N 3.26Å; F472-H475 CarbonylContact O-C 3.59Å; F472-H475 WeakPolarHBondContact O-CA 3.49Å; F472-H475 WeakPolarHBondContact O-CB 3.49Å; F472-H475 PolarHBondContact O-N 3.32Å; I473-H475 VanDerWaalsContact C-N 3.26Å; I473-H475 PolarHBondContact O-N 3.12Å; H475-K477 PolarHBondContact O-N 3.23Å; H475-V478 WeakPolarHBondContact O-CB 3.35Å; H475-V478 WeakPolarHBondContact O-CG2 3.46Å; H475-V478 PolarHBondContact O-N 2.97Å; H475-H479 AromaticContact CD2-NE2 3.95Å; H475-H479 AromaticContact CE1-CE1 3.55Å; H475-H479 AromaticContact CE1-NE2 3.22Å; H475-H479 PolarHBondContact CE1-NE2 3.01Å; H475-H479 AromaticContact NE2-CE1 3.77Å; H475-H479 AromaticContact NE2-NE2 3.06Å; H475-H479 PolarHBondContact NE2-NE2 2.78Å
476	R	66	Low	63.9	Low	118 Å²	118	79 Å²	79	45%	0.445	39%	0.391	S	S	.	.	H	α-helix	trans	-61.2	-32.5	176.3	-154.8	-178	78.3	179.8	8.2	111.8	E461 F472 I473 V478 H479 T480	E461-R476 WeakPolarHBondContact OE1-CG 3.38Å; F472-R476 PolarHBondContact O-N 3.26Å; I473-R476 PolarHBondContact O-N 3.06Å; R476-V478 PolarHBondContact O-N 3.14Å; R476-H479 PolarHBondContact O-N 3.44Å; R476-T480 PolarHBondContact O-N 3.27Å; R476-T480 VanDerWaalsContact O-N 3.13Å; R476-T480 PolarHBondContact O-OG1 3.24Å
477	K	68.8	Low	63	Low	86 Å²	86	76.9 Å²	76.9	37%	0.374	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	3.7	167.4	-81.9	-174.7	166.8	-75.3	0	115.7	I473 H475 E482 S484	I473-K477 PolarHBondContact O-N 3.22Å; H475-K477 PolarHBondContact O-N 3.23Å; K477-E482 IonicContact NZ-OE2 2.66Å; K477-E482 PolarHBondContact NZ-OE2 2.8Å; K477-S484 PolarHBondContact NZ-OG 3.21Å
478	V	65.1	Low	62.5	Low	107 Å²	107	79.1 Å²	79.1	65%	0.648	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-23	169.6	-176.4	0	0	0	0	111.6	H475 R476	H475-V478 WeakPolarHBondContact O-CB 3.35Å; H475-V478 WeakPolarHBondContact O-CG2 3.46Å; H475-V478 PolarHBondContact O-N 2.97Å; R476-V478 PolarHBondContact O-N 3.14Å
479	H	65	Low	61.8	Low	60 Å²	60	81.9 Å²	81.9	28%	0.278	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-39.7	-180	-47.4	-56.4	0	0	0	111.9	C459 E461 C462 H475 R476 E481	C459-H479 PolarHBondContact SG-CD2 2.86Å; C459-H479 PolarHBondContact SG-NE2 2.99Å; E461-H479 HydrophobicContact CB-CB 4.49Å; E461-H479 IonicContact OE1-CD2 3.22Å; E461-H479 WeakPolarHBondContact OE2-CB 3.37Å; E461-H479 IonicContact OE2-CD2 2.73Å; E461-H479 IonicContact OE2-CG 3.59Å; C462-H479 PolarHBondContact SG-CE1 2.91Å; C462-H479 PolarHBondContact SG-NE2 3.02Å; H475-H479 AromaticContact CD2-NE2 3.95Å; H475-H479 AromaticContact CE1-CE1 3.55Å; H475-H479 AromaticContact CE1-NE2 3.22Å; H475-H479 PolarHBondContact CE1-NE2 3.01Å; H475-H479 AromaticContact NE2-CE1 3.77Å; H475-H479 AromaticContact NE2-NE2 3.06Å; H475-H479 PolarHBondContact NE2-NE2 2.78Å; R476-H479 PolarHBondContact O-N 3.44Å; H479-E481 PolarHBondContact O-N 3.23Å
480	T	59.2	Low	61.4	Low	51 Å²	51	80.4 Å²	80.4	31%	0.313	41%	0.409	S	S	.	.	S	Bend	trans	-71.6	120.5	166.1	58.7	0	0	0	0	108.9	R476 E482	R476-T480 PolarHBondContact O-N 3.27Å; R476-T480 VanDerWaalsContact O-N 3.13Å; R476-T480 PolarHBondContact O-OG1 3.24Å; T480-E482 PolarHBondContact O-N 2.86Å
481	E	52.9	Low	60.7	Low	184 Å²	184	78 Å²	78	86%	0.86	40%	0.397	S	S	*	.			trans	-68.1	19.5	-177.6	-59.1	-168	132.3	0	0	115.1	H479 K483	H479-E481 PolarHBondContact O-N 3.23Å; E481-K483 PolarHBondContact O-N 3.13Å
482	E	54.4	Low	59.8	Low	129 Å²	129	82.9 Å²	82.9	60%	0.603	42%	0.415	S	S	*	.			trans	-67	70.5	161.3	-80.7	-159	149.3	0	0	110.9	K477 T480 S484	K477-E482 IonicContact NZ-OE2 2.66Å; K477-E482 PolarHBondContact NZ-OE2 2.8Å; T480-E482 PolarHBondContact O-N 2.86Å; E482-S484 PolarHBondContact O-N 3.14Å; E482-S484 PolarHBondContact O-OG 3.1Å
483	K	49.8	Very low	59.1	Low	103 Å²	103	87.5 Å²	87.5	45%	0.448	44%	0.435	S	S	.	.			trans	-53.2	84.2	166.1	-63.2	173.9	169.1	-160.3	0	109.6	E481 H485 E486 F493	E481-K483 PolarHBondContact O-N 3.13Å; K483-H485 PolarHBondContact O-N 2.94Å; K483-H485 VanDerWaalsContact O-N 3.12Å; K483-E486 VanDerWaalsContact CD-OE2 3.24Å; K483-E486 WeakPolarHBondContact CD-OE2 3.39Å; K483-E486 IonicContact NZ-OE1 3.53Å; K483-E486 PolarHBondContact NZ-OE1 3.46Å; K483-E486 IonicContact NZ-OE2 3.82Å; K483-E486 PolarHBondContact NZ-OE2 3.5Å; K483-F493 HydrophobicContact CB-CD1 3.99Å; K483-F493 HydrophobicContact CB-CE1 3.88Å; K483-F493 HydrophobicContact CD-CD1 4.39Å; K483-F493 HydrophobicContact CD-CE1 3.47Å; K483-F493 VanDerWaalsContact CD-CE1 3.47Å; K483-F493 HydrophobicContact CD-CZ 3.85Å; K483-F493 HydrophobicContact CG-CD1 4.03Å; K483-F493 HydrophobicContact CG-CE1 3.49Å; K483-F493 VanDerWaalsContact CG-CE1 3.49Å; K483-F493 HydrophobicContact CG-CZ 3.85Å
484	S	59.5	Low	58.7	Low	60 Å²	60	85.3 Å²	85.3	42%	0.42	43%	0.426	S	S	.	.	S	Bend	trans	-64.9	-31.4	-159.7	-59.5	0	0	0	0	112.3	K477 E482	K477-S484 PolarHBondContact NZ-OG 3.21Å; E482-S484 PolarHBondContact O-N 3.14Å; E482-S484 PolarHBondContact O-OG 3.1Å
485	H	55.1	Low	58.3	Low	72 Å²	72	83.1 Å²	83.1	33%	0.333	42%	0.422	S	S	.	.	S	Bend	trans	-142.8	126.7	157.3	-54.8	-74	0	0	0	109.2	K483 L499	K483-H485 PolarHBondContact O-N 2.94Å; K483-H485 VanDerWaalsContact O-N 3.12Å; H485-L499 HydrophobicContact CB-CD1 4.32Å; H485-L499 HydrophobicContact CB-CD2 4.05Å
486	E	49.8	Very low	57.8	Low	82 Å²	82	87.3 Å²	87.3	38%	0.383	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-109.4	134.2	173.6	176.5	160.5	-134.6	0	0	109.1	K483 S488 G491 F493	K483-E486 VanDerWaalsContact CD-OE2 3.24Å; K483-E486 WeakPolarHBondContact CD-OE2 3.39Å; K483-E486 IonicContact NZ-OE1 3.53Å; K483-E486 PolarHBondContact NZ-OE1 3.46Å; K483-E486 IonicContact NZ-OE2 3.82Å; K483-E486 PolarHBondContact NZ-OE2 3.5Å; E486-S488 PolarHBondContact O-N 3.43Å; E486-G491 WeakPolarHBondContact OE1-CA 3.36Å; E486-F493 HydrophobicContact CB-CD1 4.08Å; E486-F493 HydrophobicContact CB-CE1 3.97Å; E486-F493 HydrophobicContact CG-CD1 4.35Å; E486-F493 HydrophobicContact CG-CE1 3.87Å; E486-F493 WeakPolarHBondContact OE1-CE1 3.23Å
487	C	56.5	Low	57.2	Low	0 Å²	0	85.5 Å²	85.5	0%	0	45%	0.45	C	S	.	.			trans	-73.7	117.3	173.8	178.6	0	0	0	0	110.3	E489 C490 G491 K492 H503 H506	C487-E489 PolarHBondContact O-N 3.38Å; C487-E489 VanDerWaalsContact O-N 3.1Å; C487-C490 PolarHBondContact O-N 2.78Å; C487-G491 PolarHBondContact O-N 3.44Å; C487-K492 PolarHBondContact N-O 3.13Å; C487-H503 PolarHBondContact SG-NE2 2.81Å; C487-H506 PolarHBondContact SG-CD2 3.19Å; C487-H506 PolarHBondContact SG-NE2 3.33Å
488	S	57.9	Low	56.7	Low	107 Å²	107	87.3 Å²	87.3	75%	0.748	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.1	-176.9	49.3	0	0	0	0	115	E486	E486-S488 PolarHBondContact O-N 3.43Å
489	E	55.4	Low	56.6	Low	113 Å²	113	83.7 Å²	83.7	53%	0.528	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-17.8	-176.5	-68.2	171.8	-160	0	0	113.8	C487 H506	C487-E489 PolarHBondContact O-N 3.38Å; C487-E489 VanDerWaalsContact O-N 3.1Å; E489-H506 WeakPolarHBondContact OE2-CB 3.33Å; E489-H506 IonicContact OE2-CD2 3.33Å; E489-H506 IonicContact OE2-CG 3.15Å
490	C	55.5	Low	56.5	Low	45 Å²	45	85.1 Å²	85.1	30%	0.304	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.6	0.4	-172.5	76.4	0	0	0	0	116.7	C487 K492 H502 H506	C487-C490 PolarHBondContact O-N 2.78Å; C490-K492 PolarHBondContact O-N 2.83Å; C490-H502 PolarHBondContact SG-NE2 3.13Å; C490-H506 PolarHBondContact SG-CE1 3.22Å; C490-H506 PolarHBondContact SG-NE2 3.25Å
491	G	56.6	Low	56.6	Low	34 Å²	34	83.6 Å²	83.6	35%	0.351	44%	0.435	S	S	.	.			trans	67	14.9	177.9	0	0	0	0	0	115.5	E486 C487 F493	E486-G491 WeakPolarHBondContact OE1-CA 3.36Å; C487-G491 PolarHBondContact O-N 3.44Å; G491-F493 WeakPolarHBondContact O-CZ 3.31Å
492	K	51.8	Low	57.3	Low	124 Å²	124	76.6 Å²	76.6	54%	0.539	40%	0.402	S	S	.	.			trans	-92.1	144.5	-179.2	-65.8	171.4	-169.6	163.6	0	111.5	C487 C490	C487-K492 PolarHBondContact N-O 3.13Å; C490-K492 PolarHBondContact O-N 2.83Å
493	F	56.3	Low	57.7	Low	126 Å²	126	72.9 Å²	72.9	55%	0.553	39%	0.385	S	S	*	.	B	Isolated β-bridge	trans	-93.4	131.3	179.7	-44.8	-52.5	0	0	0	111.3	K483 E486 G491	K483-F493 HydrophobicContact CB-CD1 3.99Å; K483-F493 HydrophobicContact CB-CE1 3.88Å; K483-F493 HydrophobicContact CD-CD1 4.39Å; K483-F493 HydrophobicContact CD-CE1 3.47Å; K483-F493 VanDerWaalsContact CD-CE1 3.47Å; K483-F493 HydrophobicContact CD-CZ 3.85Å; K483-F493 HydrophobicContact CG-CD1 4.03Å; K483-F493 HydrophobicContact CG-CE1 3.49Å; K483-F493 VanDerWaalsContact CG-CE1 3.49Å; K483-F493 HydrophobicContact CG-CZ 3.85Å; E486-F493 HydrophobicContact CB-CD1 4.08Å; E486-F493 HydrophobicContact CB-CE1 3.97Å; E486-F493 HydrophobicContact CG-CD1 4.35Å; E486-F493 HydrophobicContact CG-CE1 3.87Å; E486-F493 WeakPolarHBondContact OE1-CE1 3.23Å; G491-F493 WeakPolarHBondContact O-CZ 3.31Å
494	S	58.7	Low	58.4	Low	25 Å²	25	68.7 Å²	68.7	18%	0.175	37%	0.368	C	S	.	.			trans	-132.1	152.4	172	56.6	0	0	0	0	109.6	L499	S494-L499 WeakPolarHBondContact OG-CA 3.35Å; S494-L499 WeakPolarHBondContact OG-CD1 3.43Å
495	Q	59.3	Low	58.6	Low	98 Å²	98	67.9 Å²	67.9	46%	0.458	37%	0.365	S	S	.	.			trans	-69.2	144.4	168.4	-64	158.4	80.6	0	0	107.3	R474 S497 Y498 L499	R474-Q495 VanDerWaalsContact NH1-OE1 3.13Å; Q495-S497 PolarHBondContact O-N 2.94Å; Q495-Y498 HydrophobicContact CB-CD2 4.09Å; Q495-Y498 PolarHBondContact O-N 3.36Å; Q495-L499 PolarHBondContact O-N 3.49Å
496	L	59.7	Low	58.9	Low	109 Å²	109	67.6 Å²	67.6	57%	0.571	36%	0.364	S	S	*	.	H	α-helix	trans	-48.2	-37.3	-172.8	-174	53.7	0	0	0	114.2	Y498 L499	L496-Y498 PolarHBondContact O-N 3.11Å; L496-L499 HydrophobicContact CD1-CD2 4.23Å; L496-L499 PolarHBondContact O-N 3.04Å
497	S	54.7	Low	59.5	Low	80 Å²	80	68.5 Å²	68.5	56%	0.559	37%	0.371	S	S	*	.	H	α-helix	trans	-64.5	-16.6	177.6	58.2	0	0	0	0	115.5	Q495	Q495-S497 PolarHBondContact O-N 2.94Å
498	Y	57.6	Low	59.6	Low	124 Å²	124	71 Å²	71	49%	0.486	40%	0.396	S	S	.	.	H	α-helix	trans	-118.6	3.6	178.4	-53.2	-69.5	0	0	0	112.1	Q495 L496 T500 H502	Q495-Y498 HydrophobicContact CB-CD2 4.09Å; Q495-Y498 PolarHBondContact O-N 3.36Å; L496-Y498 PolarHBondContact O-N 3.11Å; Y498-T500 VanDerWaalsContact C-N 3.33Å; Y498-H502 WeakPolarHBondContact O-CB 3.19Å; Y498-H502 PolarHBondContact O-N 3.07Å
499	L	62.8	Low	59.6	Low	31 Å²	31	71.3 Å²	71.3	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-40.8	176.5	-173.8	69.7	0	0	0	110.2	H485 S494 Q495 L496 H502 H503	H485-L499 HydrophobicContact CB-CD1 4.32Å; H485-L499 HydrophobicContact CB-CD2 4.05Å; S494-L499 WeakPolarHBondContact OG-CA 3.35Å; S494-L499 WeakPolarHBondContact OG-CD1 3.43Å; Q495-L499 PolarHBondContact O-N 3.49Å; L496-L499 HydrophobicContact CD1-CD2 4.23Å; L496-L499 PolarHBondContact O-N 3.04Å; L499-H502 WeakPolarHBondContact O-CB 3.28Å; L499-H502 PolarHBondContact O-N 3.02Å; L499-H502 VanDerWaalsContact O-N 3.16Å; L499-H503 PolarHBondContact O-CD2 2.91Å; L499-H503 VanDerWaalsContact O-CD2 3.26Å; L499-H503 PolarHBondContact O-N 2.71Å
500	T	62.5	Low	60.1	Low	90 Å²	90	71.2 Å²	71.2	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-60.3	-54.2	175.4	-41.2	0	0	0	0	111.7	Y498 H502 H503 T504	Y498-T500 VanDerWaalsContact C-N 3.33Å; T500-H502 PolarHBondContact O-N 3.36Å; T500-H502 VanDerWaalsContact O-N 3.11Å; T500-H503 PolarHBondContact O-N 3.38Å; T500-T504 WeakPolarHBondContact O-CG2 3.33Å; T500-T504 PolarHBondContact O-N 3.25Å; T500-T504 VanDerWaalsContact O-N 3.12Å; T500-T504 PolarHBondContact O-OG1 3.46Å
501	D	62.3	Low	60.5	Low	20 Å²	20	72.4 Å²	72.4	11%	0.107	39%	0.391	C	S	.	.	H	α-helix	trans	-59.1	-20.9	175	-70	-37.4	0	0	0	113.3	T504 V523 N524	D501-T504 WeakPolarHBondContact CA-OG1 3.43Å; D501-T504 PolarHBondContact O-OG1 3.46Å; D501-V523 HydrophobicContact CB-CG1 4.31Å; D501-V523 HydrophobicContact CB-CG2 4.31Å; D501-V523 VanDerWaalsContact OD1-CA 3.32Å; D501-V523 WeakPolarHBondContact OD1-CA 3.48Å; D501-N524 PolarHBondContact OD1-N 3.3Å
502	H	67.7	Low	60.7	Low	36 Å²	36	73 Å²	73	17%	0.167	38%	0.383	C	S	.	.	H	α-helix	trans	-89.6	-36	179.5	179.5	46.9	0	0	0	112.8	C490 Y498 L499 T500 A505 H506	C490-H502 PolarHBondContact SG-NE2 3.13Å; Y498-H502 WeakPolarHBondContact O-CB 3.19Å; Y498-H502 PolarHBondContact O-N 3.07Å; L499-H502 WeakPolarHBondContact O-CB 3.28Å; L499-H502 PolarHBondContact O-N 3.02Å; L499-H502 VanDerWaalsContact O-N 3.16Å; T500-H502 PolarHBondContact O-N 3.36Å; T500-H502 VanDerWaalsContact O-N 3.11Å; H502-A505 WeakPolarHBondContact O-CB 3.17Å; H502-A505 PolarHBondContact O-N 3.36Å; H502-H506 AromaticContact CD2-NE2 3.87Å; H502-H506 AromaticContact CE1-CE1 3.33Å; H502-H506 PolarHBondContact CE1-CE1 3.24Å; H502-H506 AromaticContact CE1-NE2 3.19Å; H502-H506 PolarHBondContact CE1-NE2 3.47Å; H502-H506 AromaticContact ND1-NE2 3.75Å; H502-H506 AromaticContact NE2-CE1 3.79Å; H502-H506 AromaticContact NE2-NE2 3.26Å; H502-H506 PolarHBondContact NE2-NE2 3.47Å; H502-H506 PolarHBondContact O-CD2 3.39Å; H502-H506 VanDerWaalsContact O-CD2 3.3Å; H502-H506 PolarHBondContact O-NE2 3.3Å
503	H	63	Low	61	Low	51 Å²	51	72 Å²	72	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-70.1	-41.5	174	-84.5	-112.1	0	0	0	111.5	C487 L499 T500 A505 H506 L507	C487-H503 PolarHBondContact SG-NE2 2.81Å; L499-H503 PolarHBondContact O-CD2 2.91Å; L499-H503 VanDerWaalsContact O-CD2 3.26Å; L499-H503 PolarHBondContact O-N 2.71Å; T500-H503 PolarHBondContact O-N 3.38Å; H503-A505 PolarHBondContact O-N 3.26Å; H503-H506 PolarHBondContact O-N 3.44Å; H503-L507 PolarHBondContact O-N 2.89Å
504	T	63.8	Low	61.2	Low	16 Å²	16	66 Å²	66	10%	0.098	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-32.5	173.3	54.9	0	0	0	0	112.1	T500 D501 H506 L507 G508 P511 L522	T500-T504 WeakPolarHBondContact O-CG2 3.33Å; T500-T504 PolarHBondContact O-N 3.25Å; T500-T504 VanDerWaalsContact O-N 3.12Å; T500-T504 PolarHBondContact O-OG1 3.46Å; D501-T504 WeakPolarHBondContact CA-OG1 3.43Å; D501-T504 PolarHBondContact O-OG1 3.46Å; T504-H506 VanDerWaalsContact C-N 3.31Å; T504-H506 PolarHBondContact O-N 3.19Å; T504-L507 PolarHBondContact O-N 2.97Å; T504-G508 PolarHBondContact O-N 3.12Å; T504-P511 HydrophobicContact CG2-CG 3.65Å; T504-L522 PolarHBondContact OG1-O 3.1Å
505	A	63	Low	61	Low	43 Å²	43	72 Å²	72	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-69.4	-18.3	176.7	0	0	0	0	0	115	H502 H503 L522	H502-A505 WeakPolarHBondContact O-CB 3.17Å; H502-A505 PolarHBondContact O-N 3.36Å; H503-A505 PolarHBondContact O-N 3.26Å; A505-L522 HydrophobicContact CB-CD2 3.93Å; A505-L522 HydrophobicContact CB-CG 4.33Å
506	H	62.5	Low	60.8	Low	66 Å²	66	74.6 Å²	74.6	31%	0.306	40%	0.396	S	S	.	.	H	α-helix	trans	-84.5	-41	172.9	-60.7	-51.2	0	0	0	112	C487 E489 C490 H502 H503 T504 G508	C487-H506 PolarHBondContact SG-CD2 3.19Å; C487-H506 PolarHBondContact SG-NE2 3.33Å; E489-H506 WeakPolarHBondContact OE2-CB 3.33Å; E489-H506 IonicContact OE2-CD2 3.33Å; E489-H506 IonicContact OE2-CG 3.15Å; C490-H506 PolarHBondContact SG-CE1 3.22Å; C490-H506 PolarHBondContact SG-NE2 3.25Å; H502-H506 AromaticContact CD2-NE2 3.87Å; H502-H506 AromaticContact CE1-CE1 3.33Å; H502-H506 PolarHBondContact CE1-CE1 3.24Å; H502-H506 AromaticContact CE1-NE2 3.19Å; H502-H506 PolarHBondContact CE1-NE2 3.47Å; H502-H506 AromaticContact ND1-NE2 3.75Å; H502-H506 AromaticContact NE2-CE1 3.79Å; H502-H506 AromaticContact NE2-NE2 3.26Å; H502-H506 PolarHBondContact NE2-NE2 3.47Å; H502-H506 PolarHBondContact O-CD2 3.39Å; H502-H506 VanDerWaalsContact O-CD2 3.3Å; H502-H506 PolarHBondContact O-NE2 3.3Å; H503-H506 PolarHBondContact O-N 3.44Å; T504-H506 VanDerWaalsContact C-N 3.31Å; T504-H506 PolarHBondContact O-N 3.19Å; H506-G508 PolarHBondContact O-N 2.72Å
507	L	62.3	Low	60.7	Low	101 Å²	101	72.2 Å²	72.2	53%	0.529	39%	0.388	S	S	.	.	H	α-helix	trans	-64.9	-20.8	175.5	-60.2	175.1	0	0	0	112.2	H503 T504 E509	H503-L507 PolarHBondContact O-N 2.89Å; T504-L507 PolarHBondContact O-N 2.97Å; L507-E509 HydrophobicContact CB-CB 4.17Å; L507-E509 HydrophobicContact CB-CG 3.9Å; L507-E509 PolarHBondContact O-N 2.91Å; L507-E509 VanDerWaalsContact O-N 3.1Å
508	G	57.5	Low	60.7	Low	52 Å²	52	70.8 Å²	70.8	54%	0.536	39%	0.385	S	S	.	.			trans	71.3	-3.9	-173.5	0	0	0	0	0	113.5	T504 H506	T504-G508 PolarHBondContact O-N 3.12Å; H506-G508 PolarHBondContact O-N 2.72Å
509	E	59.5	Low	60.9	Low	114 Å²	114	69.9 Å²	69.9	53%	0.533	38%	0.384	S	S	.	.			trans	-59	146.1	171.8	-70.1	179.6	-176.2	0	0	110.8	L507 P511 L522	L507-E509 HydrophobicContact CB-CB 4.17Å; L507-E509 HydrophobicContact CB-CG 3.9Å; L507-E509 PolarHBondContact O-N 2.91Å; L507-E509 VanDerWaalsContact O-N 3.1Å; E509-P511 HydrophobicContact CB-CG 4.42Å; E509-P511 WeakPolarHBondContact O-CD 3.29Å; E509-L522 WeakPolarHBondContact O-CD1 3.24Å
510	K	64.8	Low	60.9	Low	111 Å²	111	71 Å²	71	48%	0.483	39%	0.392	S	S	.	.			trans	-122.9	75.5	177	-66.7	171.6	178	-178.9	0	107.5	Y512 T520 F521 L522	K510-Y512 PolarHBondContact O-N 2.91Å; K510-T520 VanDerWaalsContact CD-OG1 3.27Å; K510-T520 WeakPolarHBondContact CD-OG1 3.3Å; K510-F521 CarbonylContact C-O 3.5Å; K510-F521 WeakPolarHBondContact CA-O 3.35Å; K510-F521 WeakPolarHBondContact CB-O 3.47Å; K510-L522 HydrophobicContact CG-CD1 4.29Å
511	P	63.5	Low	61.2	Low	70 Å²	70	68.7 Å²	68.7	46%	0.455	38%	0.375	S	S	.	.			trans	-67.1	-17.2	-162.6	-18.7	32.7	0	0	0	113.2	T504 E509 E513	T504-P511 HydrophobicContact CG2-CG 3.65Å; E509-P511 HydrophobicContact CB-CG 4.42Å; E509-P511 WeakPolarHBondContact O-CD 3.29Å; P511-E513 PolarHBondContact O-N 2.82Å
512	Y	61.5	Low	61.2	Low	46 Å²	46	71 Å²	71	18%	0.18	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	83.8	-175.9	-55.2	-67.6	0	0	0	110.1	K510 T520 F521 N524 F527	K510-Y512 PolarHBondContact O-N 2.91Å; Y512-T520 WeakPolarHBondContact O-CA 3.26Å; Y512-F521 WeakPolarHBondContact CD2-O 3.5Å; Y512-F521 PolarHBondContact O-N 2.84Å; Y512-N524 HydrophobicContact CE1-CB 4.05Å; Y512-N524 WeakPolarHBondContact CE1-OD1 3.48Å; Y512-N524 HydrophobicContact CE2-CB 4.05Å; Y512-F527 HydrophobicContact CD1-CD1 4.03Å; Y512-F527 HydrophobicContact CD1-CE1 4.38Å; Y512-F527 HydrophobicContact CD1-CG 4.48Å; Y512-F527 HydrophobicContact CG-CB 4.2Å; Y512-F527 HydrophobicContact CG-CD1 4.26Å; Y512-F527 HydrophobicContact CG-CG 4.26Å
513	E	57.7	Low	60.9	Low	103 Å²	103	71.4 Å²	71.4	48%	0.481	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.4	175.8	-170.5	165.4	168.1	0	0	112.2	P511 N515 T520 F527	P511-E513 PolarHBondContact O-N 2.82Å; E513-N515 PolarHBondContact O-N 3.25Å; E513-T520 HydrophobicContact CB-CG2 3.88Å; E513-T520 HydrophobicContact CG-CG2 3.72Å; E513-F527 WeakPolarHBondContact O-CE2 3.46Å; E513-F527 WeakPolarHBondContact O-CZ 3.44Å
514	C	60.3	Low	60.8	Low	1 Å²	1	71.5 Å²	71.5	1%	0.007	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	98.1	174.5	-176.6	0	0	0	0	110.4	E516 C517 G518 K519 F521 F527 H530	C514-E516 PolarHBondContact O-N 3.3Å; C514-C517 PolarHBondContact O-N 3.46Å; C514-G518 PolarHBondContact O-N 3.02Å; C514-K519 PolarHBondContact N-O 3.39Å; C514-F521 HydrophobicContact CB-CE2 4.47Å; C514-F527 HydrophobicContact CB-CE2 4.16Å; C514-H530 WeakPolarHBondContact CB-CE1 3.49Å; C514-H530 PolarHBondContact SG-CE1 3.48Å
515	N	55.9	Low	60.5	Low	149 Å²	149	74.4 Å²	74.4	80%	0.797	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-20.9	179.6	-62.5	-18.2	0	0	0	115.4	E513	E513-N515 PolarHBondContact O-N 3.25Å
516	E	55	Low	60.5	Low	153 Å²	153	74.7 Å²	74.7	72%	0.715	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.4	178.1	-62.8	-172.1	156.4	0	0	114.1	C514 P532	C514-E516 PolarHBondContact O-N 3.3Å; E516-P532 WeakPolarHBondContact OE2-CG 3.22Å
517	C	56.6	Low	60.3	Low	60 Å²	60	72.7 Å²	72.7	41%	0.405	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.7	11.5	-179.5	71.4	0	0	0	0	116.6	C514 K519 H530	C514-C517 PolarHBondContact O-N 3.46Å; C517-K519 PolarHBondContact O-N 3.5Å; C517-K519 VanDerWaalsContact O-N 3.09Å; C517-H530 PolarHBondContact SG-CE1 3.42Å
518	G	55.1	Low	60.2	Low	49 Å²	49	72.1 Å²	72.1	51%	0.505	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	12.9	175.9	0	0	0	0	0	115.3	C514	C514-G518 PolarHBondContact O-N 3.02Å
519	K	62.6	Low	60.2	Low	106 Å²	106	73.1 Å²	73.1	46%	0.461	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.7	178.1	-69	176.2	-163.8	150.9	0	109.7	C514 C517 F521 H530	C514-K519 PolarHBondContact N-O 3.39Å; C517-K519 PolarHBondContact O-N 3.5Å; C517-K519 VanDerWaalsContact O-N 3.09Å; K519-F521 HydrophobicContact CB-CE2 3.57Å; K519-F521 HydrophobicContact CB-CZ 3.92Å; K519-F521 HydrophobicContact CD-CZ 4.47Å; K519-F521 WeakPolarHBondContact O-CD2 3.4Å; K519-F521 WeakPolarHBondContact O-CE2 3.27Å; K519-H530 PolarHBondContact NZ-NE2 3.3Å
520	T	61.1	Low	60.4	Low	53 Å²	53	70.9 Å²	70.9	33%	0.325	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.1	179.5	51.8	0	0	0	0	111.1	K510 Y512 E513	K510-T520 VanDerWaalsContact CD-OG1 3.27Å; K510-T520 WeakPolarHBondContact CD-OG1 3.3Å; Y512-T520 WeakPolarHBondContact O-CA 3.26Å; E513-T520 HydrophobicContact CB-CG2 3.88Å; E513-T520 HydrophobicContact CG-CG2 3.72Å
521	F	69	Low	59.9	Low	43 Å²	43	69.4 Å²	69.4	19%	0.189	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.3	-175.5	-62.8	-96.5	0	0	0	111.8	K510 Y512 C514 K519 A526 F527 H530	K510-F521 CarbonylContact C-O 3.5Å; K510-F521 WeakPolarHBondContact CA-O 3.35Å; K510-F521 WeakPolarHBondContact CB-O 3.47Å; Y512-F521 WeakPolarHBondContact CD2-O 3.5Å; Y512-F521 PolarHBondContact O-N 2.84Å; C514-F521 HydrophobicContact CB-CE2 4.47Å; K519-F521 HydrophobicContact CB-CE2 3.57Å; K519-F521 HydrophobicContact CB-CZ 3.92Å; K519-F521 HydrophobicContact CD-CZ 4.47Å; K519-F521 WeakPolarHBondContact O-CD2 3.4Å; K519-F521 WeakPolarHBondContact O-CE2 3.27Å; F521-A526 HydrophobicContact CD1-CB 4.19Å; F521-F527 HydrophobicContact CB-CB 4.09Å; F521-F527 HydrophobicContact CD2-CB 4.47Å; F521-F527 AromaticContact CD2-CD2 3.82Å; F521-F527 HydrophobicContact CD2-CD2 3.82Å; F521-F527 HydrophobicContact CE2-CD2 4.45Å; F521-F527 HydrophobicContact CG-CB 4.32Å; F521-F527 HydrophobicContact CG-CD2 4.47Å; F521-H530 HydrophobicContact CE1-CB 4.03Å; F521-H530 HydrophobicContact CE2-CB 4.06Å; F521-H530 AromaticContact CE2-CG 3.58Å; F521-H530 AromaticContact CE2-ND1 3.25Å; F521-H530 VanDerWaalsContact CE2-ND1 3.25Å; F521-H530 WeakPolarHBondContact CE2-ND1 3.43Å; F521-H530 HydrophobicContact CZ-CB 3.64Å; F521-H530 AromaticContact CZ-CD2 3.75Å; F521-H530 AromaticContact CZ-CG 3.19Å; F521-H530 AromaticContact CZ-ND1 3.39Å; F521-H530 WeakPolarHBondContact CZ-ND1 3.41Å
522	L	62.4	Low	59.6	Low	68 Å²	68	68.6 Å²	68.6	36%	0.356	39%	0.394	S	S	.	.	S	Bend	trans	-82.8	-23.6	-177.3	-164.5	77.9	0	0	0	113.1	T504 A505 E509 K510	T504-L522 PolarHBondContact OG1-O 3.1Å; A505-L522 HydrophobicContact CB-CD2 3.93Å; A505-L522 HydrophobicContact CB-CG 4.33Å; E509-L522 WeakPolarHBondContact O-CD1 3.24Å; K510-L522 HydrophobicContact CG-CD1 4.29Å
523	V	62.5	Low	59.2	Low	44 Å²	44	69.1 Å²	69.1	27%	0.267	40%	0.4	S	S	.	.	S	Bend	trans	-136.4	130.7	-165	172.7	0	0	0	0	109.3	D501 S525 A526 F527	D501-V523 HydrophobicContact CB-CG1 4.31Å; D501-V523 HydrophobicContact CB-CG2 4.31Å; D501-V523 VanDerWaalsContact OD1-CA 3.32Å; D501-V523 WeakPolarHBondContact OD1-CA 3.48Å; V523-S525 VanDerWaalsContact C-N 3.34Å; V523-S525 WeakPolarHBondContact CG1-OG 3.37Å; V523-S525 PolarHBondContact O-N 3.35Å; V523-A526 HydrophobicContact CB-CB 4.37Å; V523-A526 WeakPolarHBondContact O-CB 3.4Å; V523-A526 PolarHBondContact O-N 3.02Å; V523-F527 PolarHBondContact O-N 3.22Å
524	N	59.5	Low	58.6	Low	53 Å²	53	69.2 Å²	69.2	28%	0.283	41%	0.409	S	S	.	.	H	α-helix	trans	-58.4	-44.2	-174.4	-160.7	98.2	0	0	0	111.8	D501 Y512 A526 F527 D528	D501-N524 PolarHBondContact OD1-N 3.3Å; Y512-N524 HydrophobicContact CE1-CB 4.05Å; Y512-N524 WeakPolarHBondContact CE1-OD1 3.48Å; Y512-N524 HydrophobicContact CE2-CB 4.05Å; N524-A526 PolarHBondContact O-N 3.14Å; N524-A526 VanDerWaalsContact O-N 3.13Å; N524-F527 CarbonylContact O-C 3.59Å; N524-F527 WeakPolarHBondContact O-CA 3.46Å; N524-F527 VanDerWaalsContact O-CB 3.31Å; N524-F527 WeakPolarHBondContact O-CB 3.3Å; N524-F527 PolarHBondContact O-N 3Å; N524-D528 PolarHBondContact ND2-OD1 3.07Å; N524-D528 PolarHBondContact ND2-OD2 2.85Å; N524-D528 VanDerWaalsContact O-CG 3.23Å; N524-D528 PolarHBondContact O-N 2.87Å; N524-D528 VanDerWaalsContact O-OD2 3.13Å
525	S	58.3	Low	58	Low	78 Å²	78	79.8 Å²	79.8	55%	0.545	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-18.5	179.6	61.9	0	0	0	0	114.9	V523 D528	V523-S525 VanDerWaalsContact C-N 3.34Å; V523-S525 WeakPolarHBondContact CG1-OG 3.37Å; V523-S525 PolarHBondContact O-N 3.35Å; S525-D528 WeakPolarHBondContact CA-OD2 3.42Å
526	A	62.4	Low	57.9	Low	48 Å²	48	76.7 Å²	76.7	40%	0.397	46%	0.459	S	S	.	.	H	α-helix	trans	-85.8	-23.1	171.5	0	0	0	0	0	112.5	F521 V523 N524 H530	F521-A526 HydrophobicContact CD1-CB 4.19Å; V523-A526 HydrophobicContact CB-CB 4.37Å; V523-A526 WeakPolarHBondContact O-CB 3.4Å; V523-A526 PolarHBondContact O-N 3.02Å; N524-A526 PolarHBondContact O-N 3.14Å; N524-A526 VanDerWaalsContact O-N 3.13Å; A526-H530 WeakPolarHBondContact O-CB 3.48Å
527	F	59.5	Low	57.9	Low	24 Å²	24	75 Å²	75	11%	0.105	45%	0.451	C	S	.	.	H	α-helix	trans	-81.3	-44.1	173.1	178.9	-117.7	0	0	0	112	Y512 E513 C514 F521 V523 N524 G529 H530 Q531	Y512-F527 HydrophobicContact CD1-CD1 4.03Å; Y512-F527 HydrophobicContact CD1-CE1 4.38Å; Y512-F527 HydrophobicContact CD1-CG 4.48Å; Y512-F527 HydrophobicContact CG-CB 4.2Å; Y512-F527 HydrophobicContact CG-CD1 4.26Å; Y512-F527 HydrophobicContact CG-CG 4.26Å; E513-F527 WeakPolarHBondContact O-CE2 3.46Å; E513-F527 WeakPolarHBondContact O-CZ 3.44Å; C514-F527 HydrophobicContact CB-CE2 4.16Å; F521-F527 HydrophobicContact CB-CB 4.09Å; F521-F527 HydrophobicContact CD2-CB 4.47Å; F521-F527 AromaticContact CD2-CD2 3.82Å; F521-F527 HydrophobicContact CD2-CD2 3.82Å; F521-F527 HydrophobicContact CE2-CD2 4.45Å; F521-F527 HydrophobicContact CG-CB 4.32Å; F521-F527 HydrophobicContact CG-CD2 4.47Å; V523-F527 PolarHBondContact O-N 3.22Å; N524-F527 CarbonylContact O-C 3.59Å; N524-F527 WeakPolarHBondContact O-CA 3.46Å; N524-F527 VanDerWaalsContact O-CB 3.31Å; N524-F527 WeakPolarHBondContact O-CB 3.3Å; N524-F527 PolarHBondContact O-N 3Å; F527-G529 PolarHBondContact O-N 2.9Å; F527-H530 CarbonylContact O-C 3.1Å; F527-H530 WeakPolarHBondContact O-CA 3.36Å; F527-H530 PolarHBondContact O-N 2.87Å; F527-Q531 HydrophobicContact CD1-CG 4.22Å; F527-Q531 HydrophobicContact CD2-CG 3.92Å; F527-Q531 VanDerWaalsContact CE1-CD 3.45Å; F527-Q531 HydrophobicContact CE1-CG 3.93Å; F527-Q531 VanDerWaalsContact CE1-OE1 3.25Å; F527-Q531 HydrophobicContact CE2-CG 3.6Å; F527-Q531 HydrophobicContact CG-CG 4.24Å; F527-Q531 HydrophobicContact CZ-CG 3.63Å; F527-Q531 PolarHBondContact O-N 3.2Å
528	D	59.4	Low	57.8	Low	90 Å²	90	80 Å²	80	48%	0.481	47%	0.465	S	S	.	.	H	α-helix	trans	-56.2	-37.9	173.5	-59.2	-40.8	0	0	0	111.4	N524 S525 H530	N524-D528 PolarHBondContact ND2-OD1 3.07Å; N524-D528 PolarHBondContact ND2-OD2 2.85Å; N524-D528 VanDerWaalsContact O-CG 3.23Å; N524-D528 PolarHBondContact O-N 2.87Å; N524-D528 VanDerWaalsContact O-OD2 3.13Å; S525-D528 WeakPolarHBondContact CA-OD2 3.42Å; D528-H530 PolarHBondContact O-N 3.12Å
529	G	58	Low	58.2	Low	73 Å²	73	80.5 Å²	80.5	75%	0.753	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	4	175.3	0	0	0	0	0	114.8	F527	F527-G529 PolarHBondContact O-N 2.9Å
530	H	63.9	Low	58.5	Low	67 Å²	67	78.9 Å²	78.9	31%	0.31	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-36.3	-179.9	176.4	-96.2	0	0	0	113.3	C514 C517 K519 F521 A526 F527 D528	C514-H530 WeakPolarHBondContact CB-CE1 3.49Å; C514-H530 PolarHBondContact SG-CE1 3.48Å; C517-H530 PolarHBondContact SG-CE1 3.42Å; K519-H530 PolarHBondContact NZ-NE2 3.3Å; F521-H530 HydrophobicContact CE1-CB 4.03Å; F521-H530 HydrophobicContact CE2-CB 4.06Å; F521-H530 AromaticContact CE2-CG 3.58Å; F521-H530 AromaticContact CE2-ND1 3.25Å; F521-H530 VanDerWaalsContact CE2-ND1 3.25Å; F521-H530 WeakPolarHBondContact CE2-ND1 3.43Å; F521-H530 HydrophobicContact CZ-CB 3.64Å; F521-H530 AromaticContact CZ-CD2 3.75Å; F521-H530 AromaticContact CZ-CG 3.19Å; F521-H530 AromaticContact CZ-ND1 3.39Å; F521-H530 WeakPolarHBondContact CZ-ND1 3.41Å; A526-H530 WeakPolarHBondContact O-CB 3.48Å; F527-H530 CarbonylContact O-C 3.1Å; F527-H530 WeakPolarHBondContact O-CA 3.36Å; F527-H530 PolarHBondContact O-N 2.87Å; D528-H530 PolarHBondContact O-N 3.12Å
531	Q	52.9	Low	59.1	Low	80 Å²	80	81.5 Å²	81.5	37%	0.374	46%	0.461	S	S	.	.	S	Bend	trans	-67	137.9	172.8	-65.3	-151.4	-69.2	0	0	111.3	F527	F527-Q531 HydrophobicContact CD1-CG 4.22Å; F527-Q531 HydrophobicContact CD2-CG 3.92Å; F527-Q531 VanDerWaalsContact CE1-CD 3.45Å; F527-Q531 HydrophobicContact CE1-CG 3.93Å; F527-Q531 VanDerWaalsContact CE1-OE1 3.25Å; F527-Q531 HydrophobicContact CE2-CG 3.6Å; F527-Q531 HydrophobicContact CG-CG 4.24Å; F527-Q531 HydrophobicContact CZ-CG 3.63Å; F527-Q531 PolarHBondContact O-N 3.2Å
532	P	57.4	Low	59.4	Low	52 Å²	52	79.5 Å²	79.5	34%	0.338	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-57.8	137.4	155.4	-23.1	36.5	0	0	0	109.8	E516 L548	E516-P532 WeakPolarHBondContact OE2-CG 3.22Å; P532-L548 HydrophobicContact CB-CD1 3.95Å; P532-L548 HydrophobicContact CG-CD1 4.03Å
533	L	52.6	Low	59.9	Low	58 Å²	58	82.9 Å²	82.9	30%	0.304	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-61.2	148.2	176.7	-73	176.7	0	0	0	111	K535 E537	L533-K535 PolarHBondContact O-N 2.9Å; L533-E537 HydrophobicContact CB-CB 4.49Å; L533-E537 HydrophobicContact CD1-CB 4.3Å; L533-E537 HydrophobicContact CD1-CG 4.37Å
534	P	46.4	Very low	60.3	Low	105 Å²	105	85 Å²	85	68%	0.682	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-52.6	138.4	178	-27.2	35.1	0	0	0	112.6	G536 E537	P534-G536 PolarHBondContact O-N 3.42Å; P534-E537 PolarHBondContact O-N 3.21Å
535	K	47.8	Very low	61	Low	223 Å²	223	85.1 Å²	85.1	97%	0.97	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	98.9	179.1	-75.1	-179.4	177	173.4	0	110.9	L533	L533-K535 PolarHBondContact O-N 2.9Å
536	G	52.3	Low	61.4	Low	84 Å²	84	83.7 Å²	83.7	87%	0.866	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	154.6	-29.2	-173.1	0	0	0	0	0	113.3	P534	P534-G536 PolarHBondContact O-N 3.42Å
537	E	55.4	Low	61.7	Low	117 Å²	117	87.1 Å²	87.1	55%	0.547	49%	0.492	S	S	.	.	S	Bend	trans	-96	146.1	174	-150.2	158.5	-140.8	0	0	111.4	L533 P534 S539	L533-E537 HydrophobicContact CB-CB 4.49Å; L533-E537 HydrophobicContact CD1-CB 4.3Å; L533-E537 HydrophobicContact CD1-CG 4.37Å; P534-E537 PolarHBondContact O-N 3.21Å; E537-S539 PolarHBondContact O-N 3Å
538	K	55.3	Low	62	Low	164 Å²	164	89.8 Å²	89.8	71%	0.713	51%	0.507	S	S	*	.			trans	-78.9	89.3	-173.7	-73.2	-174.2	178.2	-179.4	0	111.7	Y540	K538-Y540 HydrophobicContact CB-CE2 4.42Å; K538-Y540 WeakPolarHBondContact O-CD2 3.38Å; K538-Y540 WeakPolarHBondContact O-CE2 3.43Å
539	S	64.2	Low	62.6	Low	60 Å²	60	87.5 Å²	87.5	42%	0.42	49%	0.492	S	S	.	.			trans	-74.9	146.5	167	57.6	0	0	0	0	112.3	E537 F549	E537-S539 PolarHBondContact O-N 3Å; S539-F549 CarbonylContact C-O 3.5Å; S539-F549 WeakPolarHBondContact CA-O 3.46Å
540	Y	67.1	Low	63.1	Low	72 Å²	72	87.4 Å²	87.4	28%	0.282	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119	175.7	-58.5	-92.2	0	0	0	109.7	K538 L548 F549 L552 Y555	K538-Y540 HydrophobicContact CB-CE2 4.42Å; K538-Y540 WeakPolarHBondContact O-CD2 3.38Å; K538-Y540 WeakPolarHBondContact O-CE2 3.43Å; Y540-L548 CarbonylContact O-C 3.53Å; Y540-L548 WeakPolarHBondContact O-CA 3.27Å; Y540-F549 PolarHBondContact N-O 2.59Å; Y540-F549 PolarHBondContact O-N 2.85Å; Y540-L552 HydrophobicContact CD1-CB 4.47Å; Y540-L552 HydrophobicContact CD1-CD1 3.81Å; Y540-L552 HydrophobicContact CD2-CB 4.32Å; Y540-L552 HydrophobicContact CE1-CB 4.03Å; Y540-L552 HydrophobicContact CE1-CD1 3.77Å; Y540-L552 HydrophobicContact CE1-CG 4.33Å; Y540-L552 HydrophobicContact CE2-CB 3.87Å; Y540-L552 HydrophobicContact CG-CD1 4.44Å; Y540-Y555 HydrophobicContact CG-CG 4.33Å
541	E	74.4	Confident	63.4	Low	109 Å²	109	89.1 Å²	89.1	51%	0.509	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.5	-178.9	-164.2	-177.9	153.5	0	0	111.9	N543 L548 Y555	E541-N543 PolarHBondContact O-N 3.35Å; E541-N543 PolarHBondContact O-OD1 2.94Å; E541-L548 HydrophobicContact CB-CD2 3.74Å; E541-L548 HydrophobicContact CG-CD2 3.89Å; E541-L548 HydrophobicContact CG-CG 4.43Å; E541-Y555 VanDerWaalsContact O-CE2 3.28Å; E541-Y555 WeakPolarHBondContact O-CE2 3.27Å
542	C	75.3	Confident	64.4	Low	0 Å²	0	89.5 Å²	89.5	0%	0	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	99.1	175.3	-173.2	0	0	0	0	111.7	V544 C545 G546 K547 F549 Y555 H562	C542-V544 PolarHBondContact O-N 3.42Å; C542-C545 PolarHBondContact O-N 3.43Å; C542-C545 VanDerWaalsContact SG-SG 3.65Å; C542-G546 PolarHBondContact O-N 3.05Å; C542-K547 HydrophobicContact CB-CB 4.45Å; C542-K547 PolarHBondContact N-O 3.08Å; C542-F549 HydrophobicContact CB-CE2 4.21Å; C542-Y555 HydrophobicContact CB-CE2 4.23Å; C542-H562 PolarHBondContact SG-CD2 3.29Å; C542-H562 PolarHBondContact SG-NE2 3.14Å; C542-H562 VanDerWaalsContact SG-NE2 3.44Å
543	N	73.1	Confident	65.1	Low	139 Å²	139	89.6 Å²	89.6	74%	0.743	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-14.7	177.9	-58.2	-8.7	0	0	0	115.9	E541	E541-N543 PolarHBondContact O-N 3.35Å; E541-N543 PolarHBondContact O-OD1 2.94Å
544	V	70.6	Confident	66	Low	89 Å²	89	93.3 Å²	93.3	54%	0.539	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-20.1	178.9	-171.4	0	0	0	0	112.7	C542 H562	C542-V544 PolarHBondContact O-N 3.42Å; V544-H562 HydrophobicContact CB-CB 4.14Å; V544-H562 HydrophobicContact CG1-CB 4.02Å; V544-H562 HydrophobicContact CG2-CB 4.04Å
545	C	75	Confident	67.4	Low	56 Å²	56	90.2 Å²	90.2	38%	0.378	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	6.6	-174.1	72.1	0	0	0	0	116.6	C542 K547 H558	C542-C545 PolarHBondContact O-N 3.43Å; C542-C545 VanDerWaalsContact SG-SG 3.65Å; C545-K547 PolarHBondContact O-N 2.87Å; C545-H558 PolarHBondContact SG-NE2 2.82Å
546	G	65.5	Low	68.6	Low	48 Å²	48	81.9 Å²	81.9	50%	0.495	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	14.7	177	0	0	0	0	0	115.3	C542	C542-G546 PolarHBondContact O-N 3.05Å
547	K	69.1	Low	69.5	Low	120 Å²	120	82.3 Å²	82.3	52%	0.522	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.5	179	-73.7	-173.5	177.3	-173.9	0	111.7	C542 C545 F549	C542-K547 HydrophobicContact CB-CB 4.45Å; C542-K547 PolarHBondContact N-O 3.08Å; C545-K547 PolarHBondContact O-N 2.87Å; K547-F549 HydrophobicContact CB-CD2 4.48Å; K547-F549 HydrophobicContact CB-CE2 3.54Å; K547-F549 HydrophobicContact CB-CZ 3.9Å; K547-F549 HydrophobicContact CD-CZ 4.37Å; K547-F549 WeakPolarHBondContact O-CD2 3.33Å; K547-F549 WeakPolarHBondContact O-CE2 3.49Å
548	L	66.2	Low	70.5	Confident	79 Å²	79	78.4 Å²	78.4	41%	0.414	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	143.4	171.7	-67.5	164.4	0	0	0	111.1	P532 Y540 E541	P532-L548 HydrophobicContact CB-CD1 3.95Å; P532-L548 HydrophobicContact CG-CD1 4.03Å; Y540-L548 CarbonylContact O-C 3.53Å; Y540-L548 WeakPolarHBondContact O-CA 3.27Å; E541-L548 HydrophobicContact CB-CD2 3.74Å; E541-L548 HydrophobicContact CG-CD2 3.89Å; E541-L548 HydrophobicContact CG-CG 4.43Å
549	F	72.9	Confident	71.2	Confident	42 Å²	42	74.9 Å²	74.9	18%	0.184	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.3	177.7	-66	-90	0	0	0	110.8	S539 Y540 C542 K547 Y555 H558	S539-F549 CarbonylContact C-O 3.5Å; S539-F549 WeakPolarHBondContact CA-O 3.46Å; Y540-F549 PolarHBondContact N-O 2.59Å; Y540-F549 PolarHBondContact O-N 2.85Å; C542-F549 HydrophobicContact CB-CE2 4.21Å; K547-F549 HydrophobicContact CB-CD2 4.48Å; K547-F549 HydrophobicContact CB-CE2 3.54Å; K547-F549 HydrophobicContact CB-CZ 3.9Å; K547-F549 HydrophobicContact CD-CZ 4.37Å; K547-F549 WeakPolarHBondContact O-CD2 3.33Å; K547-F549 WeakPolarHBondContact O-CE2 3.49Å; F549-Y555 HydrophobicContact CD2-CD2 4.04Å; F549-H558 HydrophobicContact CE1-CB 3.84Å; F549-H558 HydrophobicContact CE2-CB 4.03Å; F549-H558 AromaticContact CE2-CD2 3.32Å; F549-H558 WeakPolarHBondContact CE2-CD2 3.34Å; F549-H558 AromaticContact CE2-CG 3.85Å; F549-H558 HydrophobicContact CZ-CB 3.49Å; F549-H558 VanDerWaalsContact CZ-CB 3.49Å; F549-H558 AromaticContact CZ-CD2 3.2Å; F549-H558 WeakPolarHBondContact CZ-CD2 3.41Å; F549-H558 AromaticContact CZ-CG 3.31Å
550	S	66.9	Low	71.8	Confident	71 Å²	71	74.9 Å²	74.9	50%	0.497	38%	0.383	S	S	.	.	S	Bend	trans	-76.1	-23.5	179.8	49.6	0	0	0	0	114.3
551	E	70.7	Confident	71.8	Confident	103 Å²	103	74.9 Å²	74.9	48%	0.481	39%	0.394	S	S	.	.	S	Bend	trans	-130.4	146.6	176.3	-61.5	-173.4	-171.1	0	0	111.7	S553 Y554 Y555	E551-S553 WeakPolarHBondContact CB-OG 3.13Å; E551-S553 PolarHBondContact O-N 3.02Å; E551-S553 PolarHBondContact OE2-OG 2.87Å; E551-Y554 HydrophobicContact CB-CD2 3.94Å; E551-Y554 HydrophobicContact CG-CD2 4.22Å; E551-Y554 HydrophobicContact CG-CE2 4.41Å; E551-Y554 PolarHBondContact O-N 3.43Å; E551-Y555 PolarHBondContact O-N 3.2Å
552	L	74.4	Confident	71.6	Confident	89 Å²	89	72.9 Å²	72.9	47%	0.466	38%	0.384	S	S	.	.	H	α-helix	trans	-59.9	-26.9	171.8	-177.5	59.7	0	0	0	112.2	Y540 Y555 T556	Y540-L552 HydrophobicContact CD1-CB 4.47Å; Y540-L552 HydrophobicContact CD1-CD1 3.81Å; Y540-L552 HydrophobicContact CD2-CB 4.32Å; Y540-L552 HydrophobicContact CE1-CB 4.03Å; Y540-L552 HydrophobicContact CE1-CD1 3.77Å; Y540-L552 HydrophobicContact CE1-CG 4.33Å; Y540-L552 HydrophobicContact CE2-CB 3.87Å; Y540-L552 HydrophobicContact CG-CD1 4.44Å; L552-Y555 HydrophobicContact CD1-CD1 3.92Å; L552-T556 VanDerWaalsContact O-CB 3.27Å; L552-T556 WeakPolarHBondContact O-CB 3.47Å; L552-T556 PolarHBondContact O-N 2.77Å; L552-T556 PolarHBondContact O-OG1 3.39Å
553	S	72.4	Confident	71	Confident	54 Å²	54	74.1 Å²	74.1	38%	0.378	39%	0.393	S	S	.	.	H	α-helix	trans	-59	-58.6	175.7	60	0	0	0	0	111.4	E551 T556 E557	E551-S553 WeakPolarHBondContact CB-OG 3.13Å; E551-S553 PolarHBondContact O-N 3.02Å; E551-S553 PolarHBondContact OE2-OG 2.87Å; S553-T556 PolarHBondContact O-N 2.8Å; S553-E557 PolarHBondContact O-N 3.33Å
554	Y	70.8	Confident	70.5	Confident	136 Å²	136	75.8 Å²	75.8	53%	0.533	40%	0.396	S	S	.	.	H	α-helix	trans	-68.5	-36.6	179	-63.7	-59.5	0	0	0	112.1	E551 H558	E551-Y554 HydrophobicContact CB-CD2 3.94Å; E551-Y554 HydrophobicContact CG-CD2 4.22Å; E551-Y554 HydrophobicContact CG-CE2 4.41Å; E551-Y554 PolarHBondContact O-N 3.43Å; Y554-H558 WeakPolarHBondContact O-CB 3.24Å; Y554-H558 PolarHBondContact O-N 3.24Å
555	Y	76.3	Confident	70.2	Confident	39 Å²	39	77.6 Å²	77.6	15%	0.153	40%	0.399	C	S	.	.	H	α-helix	trans	-56.1	-51.9	170.1	173.4	-95.9	0	0	0	111.8	Y540 E541 C542 F549 E551 L552 E557 H558 Y559	Y540-Y555 HydrophobicContact CG-CG 4.33Å; E541-Y555 VanDerWaalsContact O-CE2 3.28Å; E541-Y555 WeakPolarHBondContact O-CE2 3.27Å; C542-Y555 HydrophobicContact CB-CE2 4.23Å; F549-Y555 HydrophobicContact CD2-CD2 4.04Å; E551-Y555 PolarHBondContact O-N 3.2Å; L552-Y555 HydrophobicContact CD1-CD1 3.92Å; Y555-E557 PolarHBondContact O-N 3.21Å; Y555-H558 CarbonylContact O-C 3.53Å; Y555-H558 PolarHBondContact O-N 2.79Å; Y555-H558 VanDerWaalsContact O-N 3.15Å; Y555-Y559 HydrophobicContact CE1-CD2 4.44Å; Y555-Y559 HydrophobicContact CE1-CG 4.5Å; Y555-Y559 AromaticContact CZ-CD2 3.9Å; Y555-Y559 WeakPolarHBondContact O-CB 3.23Å; Y555-Y559 PolarHBondContact O-N 2.7Å; Y555-Y559 VanDerWaalsContact OH-CD2 3.32Å; Y555-Y559 WeakPolarHBondContact OH-CD2 3.34Å
556	T	72.4	Confident	70.3	Confident	48 Å²	48	79.4 Å²	79.4	29%	0.294	40%	0.4	S	S	.	.	H	α-helix	trans	-67.7	-38.5	-176.1	-54	0	0	0	0	111.2	L552 S553 H558 Y559 R560	L552-T556 VanDerWaalsContact O-CB 3.27Å; L552-T556 WeakPolarHBondContact O-CB 3.47Å; L552-T556 PolarHBondContact O-N 2.77Å; L552-T556 PolarHBondContact O-OG1 3.39Å; S553-T556 PolarHBondContact O-N 2.8Å; T556-H558 VanDerWaalsContact C-N 3.33Å; T556-Y559 PolarHBondContact O-N 2.6Å; T556-R560 WeakPolarHBondContact O-CG 3.35Å; T556-R560 PolarHBondContact O-N 2.86Å
557	E	71.4	Confident	70.7	Confident	94 Å²	94	80.9 Å²	80.9	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-65	-34.6	172.2	-77.3	-159.5	-171.5	0	0	113	S553 Y555 H579	S553-E557 PolarHBondContact O-N 3.33Å; Y555-E557 PolarHBondContact O-N 3.21Å; E557-H579 IonicContact OE2-CE1 3.02Å; E557-H579 IonicContact OE2-ND1 3.76Å
558	H	76.4	Confident	71.3	Confident	35 Å²	35	78.8 Å²	78.8	16%	0.162	39%	0.391	C	S	.	.	H	α-helix	trans	-72.9	-38.8	173.5	-178.4	52.3	0	0	0	112.7	C545 F549 Y554 Y555 T556 R560 S561 H562	C545-H558 PolarHBondContact SG-NE2 2.82Å; F549-H558 HydrophobicContact CE1-CB 3.84Å; F549-H558 HydrophobicContact CE2-CB 4.03Å; F549-H558 AromaticContact CE2-CD2 3.32Å; F549-H558 WeakPolarHBondContact CE2-CD2 3.34Å; F549-H558 AromaticContact CE2-CG 3.85Å; F549-H558 HydrophobicContact CZ-CB 3.49Å; F549-H558 VanDerWaalsContact CZ-CB 3.49Å; F549-H558 AromaticContact CZ-CD2 3.2Å; F549-H558 WeakPolarHBondContact CZ-CD2 3.41Å; F549-H558 AromaticContact CZ-CG 3.31Å; Y554-H558 WeakPolarHBondContact O-CB 3.24Å; Y554-H558 PolarHBondContact O-N 3.24Å; Y555-H558 CarbonylContact O-C 3.53Å; Y555-H558 PolarHBondContact O-N 2.79Å; Y555-H558 VanDerWaalsContact O-N 3.15Å; T556-H558 VanDerWaalsContact C-N 3.33Å; H558-R560 VanDerWaalsContact C-N 3.25Å; H558-R560 PolarHBondContact O-N 3.26Å; H558-S561 PolarHBondContact ND1-OG 2.79Å; H558-S561 WeakPolarHBondContact O-CB 3.42Å; H558-S561 PolarHBondContact O-N 2.94Å; H558-S561 PolarHBondContact O-OG 3.27Å; H558-H562 AromaticContact CD2-NE2 3.74Å; H558-H562 AromaticContact CE1-NE2 3.28Å; H558-H562 PolarHBondContact CE1-NE2 3.19Å; H558-H562 VanDerWaalsContact CE1-NE2 3.28Å; H558-H562 AromaticContact NE2-CD2 3.84Å; H558-H562 AromaticContact NE2-CE1 3.93Å; H558-H562 AromaticContact NE2-NE2 2.95Å; H558-H562 PolarHBondContact NE2-NE2 2.81Å
559	Y	70.7	Confident	72	Confident	89 Å²	89	77 Å²	77	35%	0.349	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-34.4	-179.6	-165.7	-96.3	0	0	0	112	Y555 T556 S561 H562 S563	Y555-Y559 HydrophobicContact CE1-CD2 4.44Å; Y555-Y559 HydrophobicContact CE1-CG 4.5Å; Y555-Y559 AromaticContact CZ-CD2 3.9Å; Y555-Y559 WeakPolarHBondContact O-CB 3.23Å; Y555-Y559 PolarHBondContact O-N 2.7Å; Y555-Y559 VanDerWaalsContact OH-CD2 3.32Å; Y555-Y559 WeakPolarHBondContact OH-CD2 3.34Å; T556-Y559 PolarHBondContact O-N 2.6Å; Y559-S561 PolarHBondContact O-N 2.96Å; Y559-H562 PolarHBondContact O-N 3Å; Y559-S563 PolarHBondContact O-N 3.11Å; Y559-S563 PolarHBondContact O-OG 3.03Å
560	R	76.6	Confident	72.6	Confident	60 Å²	60	75.2 Å²	75.2	23%	0.226	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	0.8	169.3	-65.9	173.2	-167.6	141.3	3.5	115.3	T556 H558 S578	T556-R560 WeakPolarHBondContact O-CG 3.35Å; T556-R560 PolarHBondContact O-N 2.86Å; H558-R560 VanDerWaalsContact C-N 3.25Å; H558-R560 PolarHBondContact O-N 3.26Å; R560-S578 WeakPolarHBondContact O-CB 3.34Å
561	S	66.9	Low	73.2	Confident	72 Å²	72	77.1 Å²	77.1	50%	0.503	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-10.7	166.9	71.8	0	0	0	0	113.4	H558 Y559	H558-S561 PolarHBondContact ND1-OG 2.79Å; H558-S561 WeakPolarHBondContact O-CB 3.42Å; H558-S561 PolarHBondContact O-N 2.94Å; H558-S561 PolarHBondContact O-OG 3.27Å; Y559-S561 PolarHBondContact O-N 2.96Å
562	H	69.2	Low	73.6	Confident	67 Å²	67	77.3 Å²	77.3	31%	0.31	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-36.4	175.6	-55.6	-70.9	0	0	0	112.8	C542 V544 H558 Y559	C542-H562 PolarHBondContact SG-CD2 3.29Å; C542-H562 PolarHBondContact SG-NE2 3.14Å; C542-H562 VanDerWaalsContact SG-NE2 3.44Å; V544-H562 HydrophobicContact CB-CB 4.14Å; V544-H562 HydrophobicContact CG1-CB 4.02Å; V544-H562 HydrophobicContact CG2-CB 4.04Å; H558-H562 AromaticContact CD2-NE2 3.74Å; H558-H562 AromaticContact CE1-NE2 3.28Å; H558-H562 PolarHBondContact CE1-NE2 3.19Å; H558-H562 VanDerWaalsContact CE1-NE2 3.28Å; H558-H562 AromaticContact NE2-CD2 3.84Å; H558-H562 AromaticContact NE2-CE1 3.93Å; H558-H562 AromaticContact NE2-NE2 2.95Å; H558-H562 PolarHBondContact NE2-NE2 2.81Å; Y559-H562 PolarHBondContact O-N 3Å
563	S	64.4	Low	74	Confident	26 Å²	26	75.2 Å²	75.2	18%	0.182	39%	0.39	C	S	.	.	S	Bend	trans	-73.3	149.5	170.9	65.2	0	0	0	0	111	Y559 E565	Y559-S563 PolarHBondContact O-N 3.11Å; Y559-S563 PolarHBondContact O-OG 3.03Å; S563-E565 PolarHBondContact O-N 2.89Å
564	E	60.7	Low	74.3	Confident	174 Å²	174	75.5 Å²	75.5	81%	0.813	40%	0.402	S	S	*	.	S	Bend	trans	-73.5	-8.2	174.4	-59.3	-155.4	126.9	0	0	113	K566	E564-K566 WeakPolarHBondContact O-CG 3.4Å; E564-K566 PolarHBondContact O-N 3.03Å; E564-K566 VanDerWaalsContact O-N 3.13Å
565	E	65.5	Low	74.8	Confident	127 Å²	127	74.5 Å²	74.5	59%	0.593	40%	0.4	S	S	*	.			trans	-57.8	111.8	176	-63.3	-175.4	153	0	0	111.3	S563 P567	S563-E565 PolarHBondContact O-N 2.89Å; E565-P567 WeakPolarHBondContact O-CD 3.38Å
566	K	76.1	Confident	75	Confident	95 Å²	95	76.1 Å²	76.1	41%	0.413	41%	0.414	S	S	.	.			trans	-124.3	79.5	178.7	-71.7	160.4	-164.3	151.3	0	108	E564 Y568 T576 F577	E564-K566 WeakPolarHBondContact O-CG 3.4Å; E564-K566 PolarHBondContact O-N 3.03Å; E564-K566 VanDerWaalsContact O-N 3.13Å; K566-Y568 PolarHBondContact O-N 2.87Å; K566-T576 VanDerWaalsContact CB-CB 3.48Å; K566-T576 WeakPolarHBondContact CB-OG1 3.4Å; K566-T576 WeakPolarHBondContact O-CB 3.23Å; K566-F577 CarbonylContact C-O 3.59Å; K566-F577 WeakPolarHBondContact CA-O 3.11Å
567	P	75.6	Confident	75.4	Confident	79 Å²	79	76 Å²	76	51%	0.513	41%	0.41	S	S	.	.			trans	-65.3	-16	-165.9	-22.8	34.9	0	0	0	114.5	E565 G569	E565-P567 WeakPolarHBondContact O-CD 3.38Å; P567-G569 PolarHBondContact O-N 3.27Å
568	Y	80.1	Confident	75.7	Confident	76 Å²	76	73 Å²	73	30%	0.298	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	86.7	-173.3	-54.9	-72.3	0	0	0	110.1	K566 F577 H579 N580	K566-Y568 PolarHBondContact O-N 2.87Å; Y568-F577 WeakPolarHBondContact CB-O 3.49Å; Y568-F577 WeakPolarHBondContact CD2-O 3.18Å; Y568-F577 PolarHBondContact N-O 3.47Å; Y568-F577 VanDerWaalsContact N-O 3.14Å; Y568-F577 WeakPolarHBondContact O-CD2 3.24Å; Y568-F577 PolarHBondContact O-N 3.27Å; Y568-H579 VanDerWaalsContact CD2-C 3.41Å; Y568-N580 HydrophobicContact CD1-CB 3.75Å; Y568-N580 HydrophobicContact CD2-CB 4.38Å; Y568-N580 HydrophobicContact CE1-CB 3.8Å; Y568-N580 HydrophobicContact CE2-CB 4.4Å; Y568-N580 HydrophobicContact CG-CB 4.06Å
569	G	81.1	Confident	75.8	Confident	42 Å²	42	73.8 Å²	73.8	43%	0.433	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.6	175	0	0	0	0	0	113.4	P567 L583	P567-G569 PolarHBondContact O-N 3.27Å; G569-L583 WeakPolarHBondContact O-CD2 3.33Å
570	C	85.4	Confident	76.2	Confident	4 Å²	4	73.2 Å²	73.2	3%	0.027	41%	0.406	C	S	.	.			trans	-87.8	118.3	168.5	178.8	0	0	0	0	110.1	E572 G574 K575 F577 L583	C570-E572 VanDerWaalsContact C-N 3.27Å; C570-E572 PolarHBondContact O-N 2.85Å; C570-G574 WeakPolarHBondContact O-CA 3.33Å; C570-G574 PolarHBondContact O-N 3Å; C570-K575 WeakPolarHBondContact CB-O 3.18Å; C570-K575 PolarHBondContact N-O 3.41Å; C570-F577 HydrophobicContact CB-CE2 4.41Å; C570-L583 HydrophobicContact CB-CD1 3.58Å
571	S	80.3	Confident	76.4	Confident	111 Å²	111	74.4 Å²	74.4	78%	0.776	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-34.1	178.5	43.5	0	0	0	0	113.7
572	E	79	Confident	77.1	Confident	107 Å²	107	72 Å²	72	50%	0.5	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.8	-172	-61.4	166	113.2	0	0	113.9	C570 H590	C570-E572 VanDerWaalsContact C-N 3.27Å; C570-E572 PolarHBondContact O-N 2.85Å; E572-H590 WeakPolarHBondContact OE2-CB 3.39Å; E572-H590 IonicContact OE2-CD2 3.15Å; E572-H590 PolarHBondContact OE2-CD2 3.15Å; E572-H590 IonicContact OE2-CG 3.76Å
573	C	82	Confident	77.8	Confident	44 Å²	44	69.7 Å²	69.7	30%	0.297	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.8	10.8	-177.5	75.4	0	0	0	0	116.1	K575 H586 H590	C573-K575 PolarHBondContact O-N 2.99Å; C573-H586 PolarHBondContact SG-NE2 3.33Å; C573-H590 WeakPolarHBondContact CB-NE2 3.41Å; C573-H590 PolarHBondContact SG-NE2 3.25Å
574	G	78.8	Confident	78.6	Confident	60 Å²	60	73.9 Å²	73.9	62%	0.619	41%	0.412	S	S	*	.			trans	68.8	-4.2	177.3	0	0	0	0	0	116	C570 T576	C570-G574 WeakPolarHBondContact O-CA 3.33Å; C570-G574 PolarHBondContact O-N 3Å; G574-T576 PolarHBondContact O-N 2.84Å
575	K	81.7	Confident	79.6	Confident	115 Å²	115	71.1 Å²	71.1	50%	0.5	39%	0.394	S	S	.	.			trans	-69.1	130	-177.4	-71.7	173.9	-172.1	155	0	111.3	C570 C573 F577	C570-K575 WeakPolarHBondContact CB-O 3.18Å; C570-K575 PolarHBondContact N-O 3.41Å; C573-K575 PolarHBondContact O-N 2.99Å; K575-F577 HydrophobicContact CB-CE2 3.88Å; K575-F577 HydrophobicContact CB-CZ 3.96Å; K575-F577 VanDerWaalsContact O-CE2 3.27Å; K575-F577 WeakPolarHBondContact O-CE2 3.48Å
576	T	80.2	Confident	80.5	Confident	73 Å²	73	66.1 Å²	66.1	45%	0.448	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.5	-177.1	54.6	0	0	0	0	111.8	K566 G574	K566-T576 VanDerWaalsContact CB-CB 3.48Å; K566-T576 WeakPolarHBondContact CB-OG1 3.4Å; K566-T576 WeakPolarHBondContact O-CB 3.23Å; G574-T576 PolarHBondContact O-N 2.84Å
577	F	82.2	Confident	80.7	Confident	47 Å²	47	64.4 Å²	64.4	21%	0.206	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.4	-178.7	-58.3	-87.3	0	0	0	112	K566 Y568 C570 K575 L583 H586	K566-F577 CarbonylContact C-O 3.59Å; K566-F577 WeakPolarHBondContact CA-O 3.11Å; Y568-F577 WeakPolarHBondContact CB-O 3.49Å; Y568-F577 WeakPolarHBondContact CD2-O 3.18Å; Y568-F577 PolarHBondContact N-O 3.47Å; Y568-F577 VanDerWaalsContact N-O 3.14Å; Y568-F577 WeakPolarHBondContact O-CD2 3.24Å; Y568-F577 PolarHBondContact O-N 3.27Å; C570-F577 HydrophobicContact CB-CE2 4.41Å; K575-F577 HydrophobicContact CB-CE2 3.88Å; K575-F577 HydrophobicContact CB-CZ 3.96Å; K575-F577 VanDerWaalsContact O-CE2 3.27Å; K575-F577 WeakPolarHBondContact O-CE2 3.48Å; F577-L583 HydrophobicContact CB-CB 4.37Å; F577-L583 HydrophobicContact CD2-CB 3.95Å; F577-L583 HydrophobicContact CD2-CD1 3.99Å; F577-L583 HydrophobicContact CE2-CD1 4.21Å; F577-L583 HydrophobicContact CG-CB 4.36Å; F577-H586 HydrophobicContact CE1-CB 4.11Å; F577-H586 HydrophobicContact CE2-CB 3.91Å; F577-H586 AromaticContact CE2-CD2 3.33Å; F577-H586 WeakPolarHBondContact CE2-CD2 3.5Å; F577-H586 AromaticContact CE2-CG 3.81Å; F577-H586 HydrophobicContact CZ-CB 3.56Å; F577-H586 AromaticContact CZ-CD2 3.25Å; F577-H586 WeakPolarHBondContact CZ-CD2 3.41Å; F577-H586 AromaticContact CZ-CG 3.38Å
578	S	77.1	Confident	81.1	Confident	30 Å²	30	62.6 Å²	62.6	21%	0.21	35%	0.347	C	S	.	.	S	Bend	trans	-75.4	-22.1	177.6	50.2	0	0	0	0	114.1	R560	R560-S578 WeakPolarHBondContact O-CB 3.34Å
579	H	77.9	Confident	81.2	Confident	51 Å²	51	63.8 Å²	63.8	24%	0.236	36%	0.361	C	S	.	.	S	Bend	trans	-132.7	139.7	174.8	-50.9	-101.3	0	0	0	111.4	E557 Y568 S581 S582 L583	E557-H579 IonicContact OE2-CE1 3.02Å; E557-H579 IonicContact OE2-ND1 3.76Å; Y568-H579 VanDerWaalsContact CD2-C 3.41Å; H579-S581 PolarHBondContact O-N 2.82Å; H579-S582 WeakPolarHBondContact O-CB 3.32Å; H579-S582 PolarHBondContact O-N 3.5Å; H579-L583 PolarHBondContact O-N 3.25Å
580	N	79.4	Confident	81.1	Confident	77 Å²	77	65.8 Å²	65.8	41%	0.412	36%	0.36	S	S	.	.	H	α-helix	trans	-56.8	-33.8	176.3	-168.1	5	0	0	0	112.6	Y568 S582 L583 F584	Y568-N580 HydrophobicContact CD1-CB 3.75Å; Y568-N580 HydrophobicContact CD2-CB 4.38Å; Y568-N580 HydrophobicContact CE1-CB 3.8Å; Y568-N580 HydrophobicContact CE2-CB 4.4Å; Y568-N580 HydrophobicContact CG-CB 4.06Å; N580-S582 PolarHBondContact O-N 3.25Å; N580-L583 PolarHBondContact O-N 3.17Å; N580-L583 VanDerWaalsContact O-N 3.12Å; N580-F584 PolarHBondContact O-N 3.01Å
581	S	80.2	Confident	80.7	Confident	85 Å²	85	69.3 Å²	69.3	59%	0.594	38%	0.381	S	S	*	.	H	α-helix	trans	-60.7	-25.4	174	58.1	0	0	0	0	113.9	H579 R585	H579-S581 PolarHBondContact O-N 2.82Å; S581-R585 VanDerWaalsContact O-CB 3.22Å; S581-R585 WeakPolarHBondContact O-CB 3.35Å; S581-R585 PolarHBondContact O-N 3.43Å
582	S	82.8	Confident	80.6	Confident	23 Å²	23	65.9 Å²	65.9	16%	0.161	36%	0.363	C	S	.	.	H	α-helix	trans	-86.2	-33	173	-70.2	0	0	0	0	112.9	H579 N580 R585 H586	H579-S582 WeakPolarHBondContact O-CB 3.32Å; H579-S582 PolarHBondContact O-N 3.5Å; N580-S582 PolarHBondContact O-N 3.25Å; S582-R585 PolarHBondContact OG-NH2 2.9Å; S582-H586 WeakPolarHBondContact O-CB 3.14Å; S582-H586 PolarHBondContact O-N 3.2Å
583	L	83.6	Confident	80.6	Confident	17 Å²	17	64.4 Å²	64.4	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-53.3	169.9	171.3	59.8	0	0	0	111.2	G569 C570 F577 H579 N580 R585 H586 Q587	G569-L583 WeakPolarHBondContact O-CD2 3.33Å; C570-L583 HydrophobicContact CB-CD1 3.58Å; F577-L583 HydrophobicContact CB-CB 4.37Å; F577-L583 HydrophobicContact CD2-CB 3.95Å; F577-L583 HydrophobicContact CD2-CD1 3.99Å; F577-L583 HydrophobicContact CE2-CD1 4.21Å; F577-L583 HydrophobicContact CG-CB 4.36Å; H579-L583 PolarHBondContact O-N 3.25Å; N580-L583 PolarHBondContact O-N 3.17Å; N580-L583 VanDerWaalsContact O-N 3.12Å; L583-R585 VanDerWaalsContact C-N 3.27Å; L583-R585 PolarHBondContact O-N 3.01Å; L583-H586 CarbonylContact O-C 3.09Å; L583-H586 WeakPolarHBondContact O-CA 3.25Å; L583-H586 VanDerWaalsContact O-CB 3.32Å; L583-H586 WeakPolarHBondContact O-CB 3.5Å; L583-H586 PolarHBondContact O-N 3.45Å; L583-Q587 HydrophobicContact CD1-CG 4.14Å; L583-Q587 PolarHBondContact O-N 3Å
584	F	80.7	Confident	80.7	Confident	115 Å²	115	68.1 Å²	68.1	50%	0.504	37%	0.367	S	S	.	.	H	α-helix	trans	-58.5	-39.7	179.3	-174.6	-105.3	0	0	0	112.4	N580 H586 Q587	N580-F584 PolarHBondContact O-N 3.01Å; F584-H586 VanDerWaalsContact C-N 3.27Å; F584-H586 PolarHBondContact O-N 3.01Å; F584-Q587 PolarHBondContact O-N 3.18Å
585	R	82.3	Confident	80.6	Confident	116 Å²	116	68.5 Å²	68.5	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-67.7	-24.3	172.9	178.5	174.4	60.9	158.5	-5.5	113.3	S581 S582 L583 Q607	S581-R585 VanDerWaalsContact O-CB 3.22Å; S581-R585 WeakPolarHBondContact O-CB 3.35Å; S581-R585 PolarHBondContact O-N 3.43Å; S582-R585 PolarHBondContact OG-NH2 2.9Å; L583-R585 VanDerWaalsContact C-N 3.27Å; L583-R585 PolarHBondContact O-N 3.01Å; R585-Q607 HydrophobicContact CG-CG 4.3Å
586	H	83.1	Confident	80.7	Confident	21 Å²	21	66.7 Å²	66.7	10%	0.097	35%	0.35	C	S	.	.	H	α-helix	trans	-83	-36.8	175.3	177.3	42.8	0	0	0	112.7	C573 F577 S582 L583 F584 R588 V589	C573-H586 PolarHBondContact SG-NE2 3.33Å; F577-H586 HydrophobicContact CE1-CB 4.11Å; F577-H586 HydrophobicContact CE2-CB 3.91Å; F577-H586 AromaticContact CE2-CD2 3.33Å; F577-H586 WeakPolarHBondContact CE2-CD2 3.5Å; F577-H586 AromaticContact CE2-CG 3.81Å; F577-H586 HydrophobicContact CZ-CB 3.56Å; F577-H586 AromaticContact CZ-CD2 3.25Å; F577-H586 WeakPolarHBondContact CZ-CD2 3.41Å; F577-H586 AromaticContact CZ-CG 3.38Å; S582-H586 WeakPolarHBondContact O-CB 3.14Å; S582-H586 PolarHBondContact O-N 3.2Å; L583-H586 CarbonylContact O-C 3.09Å; L583-H586 WeakPolarHBondContact O-CA 3.25Å; L583-H586 VanDerWaalsContact O-CB 3.32Å; L583-H586 WeakPolarHBondContact O-CB 3.5Å; L583-H586 PolarHBondContact O-N 3.45Å; F584-H586 VanDerWaalsContact C-N 3.27Å; F584-H586 PolarHBondContact O-N 3.01Å; H586-R588 PolarHBondContact O-N 2.97Å; H586-R588 VanDerWaalsContact O-N 3.13Å; H586-V589 WeakPolarHBondContact O-CB 3.38Å; H586-V589 VanDerWaalsContact O-CG2 3.3Å; H586-V589 WeakPolarHBondContact O-CG2 3.38Å; H586-V589 PolarHBondContact O-N 3.38Å
587	Q	80.3	Confident	80.9	Confident	60 Å²	60	66.7 Å²	66.7	28%	0.28	35%	0.345	S	S	.	.	H	α-helix	trans	-55.9	-31.7	177.4	-70.6	171.9	-73.3	0	0	112.2	L583 F584 V589 H590 T591	L583-Q587 HydrophobicContact CD1-CG 4.14Å; L583-Q587 PolarHBondContact O-N 3Å; F584-Q587 PolarHBondContact O-N 3.18Å; Q587-V589 PolarHBondContact O-N 3.44Å; Q587-H590 WeakPolarHBondContact O-CA 3.39Å; Q587-H590 WeakPolarHBondContact O-CB 3.25Å; Q587-H590 PolarHBondContact O-N 3.29Å; Q587-T591 PolarHBondContact O-N 2.86Å
588	R	84.6	Confident	80.9	Confident	40 Å²	40	64.4 Å²	64.4	15%	0.151	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-11.6	169.9	-62.6	-168.7	166.1	163.7	3.3	116	H586 G592 E593 S606	H586-R588 PolarHBondContact O-N 2.97Å; H586-R588 VanDerWaalsContact O-N 3.13Å; R588-G592 CarbonylContact O-C 3.59Å; R588-G592 WeakPolarHBondContact O-CA 3.42Å; R588-G592 PolarHBondContact O-N 3.44Å; R588-E593 HydrophobicContact CB-CB 4.12Å; R588-E593 HydrophobicContact CG-CB 3.86Å; R588-E593 IonicContact CZ-OE2 3.06Å; R588-E593 IonicContact NE-OE2 3.95Å; R588-E593 PolarHBondContact NE-OE2 3.15Å; R588-E593 IonicContact NH2-OE2 3.61Å; R588-S606 PolarHBondContact NH1-O 3.06Å
589	V	81.9	Confident	81.2	Confident	101 Å²	101	72.7 Å²	72.7	61%	0.612	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-29.6	171	-178.5	0	0	0	0	110.8	H586 Q587	H586-V589 WeakPolarHBondContact O-CB 3.38Å; H586-V589 VanDerWaalsContact O-CG2 3.3Å; H586-V589 WeakPolarHBondContact O-CG2 3.38Å; H586-V589 PolarHBondContact O-N 3.38Å; Q587-V589 PolarHBondContact O-N 3.44Å
590	H	79.2	Confident	81.3	Confident	85 Å²	85	75.7 Å²	75.7	39%	0.394	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-49	177.9	-53.3	-56.8	0	0	0	111.2	E572 C573 Q587 G592	E572-H590 WeakPolarHBondContact OE2-CB 3.39Å; E572-H590 IonicContact OE2-CD2 3.15Å; E572-H590 PolarHBondContact OE2-CD2 3.15Å; E572-H590 IonicContact OE2-CG 3.76Å; C573-H590 WeakPolarHBondContact CB-NE2 3.41Å; C573-H590 PolarHBondContact SG-NE2 3.25Å; Q587-H590 WeakPolarHBondContact O-CA 3.39Å; Q587-H590 WeakPolarHBondContact O-CB 3.25Å; Q587-H590 PolarHBondContact O-N 3.29Å; H590-G592 PolarHBondContact O-N 3.33Å
591	T	77.5	Confident	81.4	Confident	77 Å²	77	74.2 Å²	74.2	47%	0.472	37%	0.372	S	S	.	.	S	Bend	trans	-70.4	-12.2	176.2	68.8	0	0	0	0	113.5	Q587 E593	Q587-T591 PolarHBondContact O-N 2.86Å; T591-E593 PolarHBondContact O-N 2.81Å; T591-E593 VanDerWaalsContact O-N 3.13Å; T591-E593 WeakPolarHBondContact OG1-CG 3.37Å; T591-E593 PolarHBondContact OG1-OE1 3.12Å
592	G	78.6	Confident	81.2	Confident	40 Å²	40	72 Å²	72	41%	0.412	36%	0.362	S	S	.	.			trans	71	-0.8	-179	0	0	0	0	0	115.2	R588 H590 K594	R588-G592 CarbonylContact O-C 3.59Å; R588-G592 WeakPolarHBondContact O-CA 3.42Å; R588-G592 PolarHBondContact O-N 3.44Å; H590-G592 PolarHBondContact O-N 3.33Å; G592-K594 PolarHBondContact O-N 3.47Å
593	E	79	Confident	81.1	Confident	76 Å²	76	76.4 Å²	76.4	36%	0.355	38%	0.379	S	S	.	.			trans	-48.5	128.3	-176.7	-90.7	170.2	-114.6	0	0	114.1	R588 T591 P595 S606	R588-E593 HydrophobicContact CB-CB 4.12Å; R588-E593 HydrophobicContact CG-CB 3.86Å; R588-E593 IonicContact CZ-OE2 3.06Å; R588-E593 IonicContact NE-OE2 3.95Å; R588-E593 PolarHBondContact NE-OE2 3.15Å; R588-E593 IonicContact NH2-OE2 3.61Å; T591-E593 PolarHBondContact O-N 2.81Å; T591-E593 VanDerWaalsContact O-N 3.13Å; T591-E593 WeakPolarHBondContact OG1-CG 3.37Å; T591-E593 PolarHBondContact OG1-OE1 3.12Å; E593-P595 HydrophobicContact CB-CG 4.37Å; E593-S606 WeakPolarHBondContact O-CB 3.43Å
594	K	82.9	Confident	81.1	Confident	121 Å²	121	80.9 Å²	80.9	53%	0.526	40%	0.397	S	S	.	.			trans	-132.3	69.7	175	-67.7	159.6	-168.4	162.2	0	112	G592 Y596 F604 F605	G592-K594 PolarHBondContact O-N 3.47Å; K594-Y596 PolarHBondContact O-N 3.02Å; K594-F604 HydrophobicContact CB-CB 3.57Å; K594-F604 HydrophobicContact CD-CB 4.2Å; K594-F604 HydrophobicContact CG-CB 4.48Å; K594-F605 CarbonylContact C-O 3.6Å; K594-F605 VanDerWaalsContact CA-O 3.27Å; K594-F605 WeakPolarHBondContact CA-O 3.49Å
595	P	77.3	Confident	81.2	Confident	68 Å²	68	77.5 Å²	77.5	44%	0.442	38%	0.383	S	S	.	.			trans	-74.2	14.1	-168	-18.4	35.4	0	0	0	116	E593	E593-P595 HydrophobicContact CB-CG 4.37Å
596	Y	84.9	Confident	81.2	Confident	77 Å²	77	73.7 Å²	73.7	30%	0.302	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	97.4	-177.3	-54.4	-69.3	0	0	0	109.9	K594 F605 K608	K594-Y596 PolarHBondContact O-N 3.02Å; Y596-F605 WeakPolarHBondContact CB-O 3.35Å; Y596-F605 WeakPolarHBondContact CD2-O 3.49Å; Y596-F605 PolarHBondContact N-O 3.17Å; Y596-F605 VanDerWaalsContact N-O 3.14Å; Y596-F605 PolarHBondContact O-N 3.25Å; Y596-K608 HydrophobicContact CD1-CB 4.05Å; Y596-K608 HydrophobicContact CD2-CB 4.48Å; Y596-K608 VanDerWaalsContact CD2-N 3.27Å; Y596-K608 HydrophobicContact CE1-CB 3.98Å; Y596-K608 HydrophobicContact CE2-CB 4.4Å; Y596-K608 HydrophobicContact CG-CB 4.31Å
597	E	83.8	Confident	81.2	Confident	73 Å²	73	74.3 Å²	74.3	34%	0.341	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	147.2	177.2	-168.9	174.9	179.5	0	0	112.3	F604 L611	E597-F604 HydrophobicContact CB-CD1 3.83Å; E597-F604 HydrophobicContact CB-CE1 3.63Å; E597-F604 HydrophobicContact CB-CZ 4.29Å; E597-F604 VanDerWaalsContact CD-CZ 3.4Å; E597-F604 HydrophobicContact CG-CD1 4.07Å; E597-F604 HydrophobicContact CG-CE1 3.64Å; E597-F604 HydrophobicContact CG-CE2 4.32Å; E597-F604 HydrophobicContact CG-CZ 3.77Å; E597-L611 WeakPolarHBondContact O-CD1 3.47Å; E597-L611 WeakPolarHBondContact O-CD2 3.44Å
598	C	82.7	Confident	81.1	Confident	0 Å²	0	78 Å²	78	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	101.3	166.9	-172.9	0	0	0	0	110	E600 C601 G602 K603 F605 L611 H614 H618	C598-E600 PolarHBondContact O-N 3.4Å; C598-C601 PolarHBondContact O-N 3.06Å; C598-G602 PolarHBondContact O-N 2.85Å; C598-K603 WeakPolarHBondContact CB-O 3.43Å; C598-K603 PolarHBondContact N-O 3.13Å; C598-F605 HydrophobicContact CB-CE2 4.18Å; C598-L611 HydrophobicContact CB-CD1 3.51Å; C598-H614 VanDerWaalsContact SG-CD2 3.57Å; C598-H618 PolarHBondContact SG-NE2 3.36Å; C598-H618 VanDerWaalsContact SG-NE2 3.39Å
599	Y	82.1	Confident	80.9	Confident	203 Å²	203	78.9 Å²	78.9	80%	0.796	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.4	-179.1	-56.3	-69.6	0	0	0	114.1	C601	Y599-C601 VanDerWaalsContact C-N 3.3Å; Y599-C601 PolarHBondContact O-N 3.48Å
600	E	79.9	Confident	81	Confident	114 Å²	114	79.6 Å²	79.6	53%	0.533	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.4	179.8	-62.9	167.3	130.4	0	0	113.4	C598 H615 H618	C598-E600 PolarHBondContact O-N 3.4Å; E600-H615 IonicContact OE2-CE1 3.95Å; E600-H615 IonicContact OE2-CG 3.6Å; E600-H615 IonicContact OE2-ND1 2.82Å; E600-H618 IonicContact OE2-CD2 2.83Å; E600-H618 PolarHBondContact OE2-CD2 3.43Å; E600-H618 IonicContact OE2-CG 3.31Å
601	C	81.3	Confident	81.1	Confident	47 Å²	47	76.7 Å²	76.7	32%	0.318	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.7	11.9	-177.8	72.4	0	0	0	0	116.9	C598 Y599 K603 H614 H618	C598-C601 PolarHBondContact O-N 3.06Å; Y599-C601 VanDerWaalsContact C-N 3.3Å; Y599-C601 PolarHBondContact O-N 3.48Å; C601-K603 PolarHBondContact O-N 3.07Å; C601-H614 PolarHBondContact SG-NE2 3.08Å; C601-H618 PolarHBondContact SG-NE2 3.1Å; C601-H618 VanDerWaalsContact SG-NE2 3.42Å
602	G	76.3	Confident	81.2	Confident	37 Å²	37	76.5 Å²	76.5	38%	0.381	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	18.5	178.4	0	0	0	0	0	115.2	C598 F604	C598-G602 PolarHBondContact O-N 2.85Å; G602-F604 VanDerWaalsContact O-CD2 3.32Å; G602-F604 WeakPolarHBondContact O-CD2 3.19Å; G602-F604 WeakPolarHBondContact O-CE2 3.25Å
603	K	80.8	Confident	81.3	Confident	117 Å²	117	77 Å²	77	51%	0.509	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.5	-177.1	-72.6	175.9	-172.7	161.3	0	111.5	C598 C601 F605	C598-K603 WeakPolarHBondContact CB-O 3.43Å; C598-K603 PolarHBondContact N-O 3.13Å; C601-K603 PolarHBondContact O-N 3.07Å; K603-F605 HydrophobicContact CB-CE2 3.75Å; K603-F605 HydrophobicContact CB-CZ 4.04Å; K603-F605 VanDerWaalsContact O-CD2 3.29Å; K603-F605 WeakPolarHBondContact O-CD2 3.14Å; K603-F605 WeakPolarHBondContact O-CE2 3.44Å
604	F	83.1	Confident	81.5	Confident	110 Å²	110	74.2 Å²	74.2	48%	0.482	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.3	-178.9	-64	-90.9	0	0	0	112.3	K594 E597 G602	K594-F604 HydrophobicContact CB-CB 3.57Å; K594-F604 HydrophobicContact CD-CB 4.2Å; K594-F604 HydrophobicContact CG-CB 4.48Å; E597-F604 HydrophobicContact CB-CD1 3.83Å; E597-F604 HydrophobicContact CB-CE1 3.63Å; E597-F604 HydrophobicContact CB-CZ 4.29Å; E597-F604 VanDerWaalsContact CD-CZ 3.4Å; E597-F604 HydrophobicContact CG-CD1 4.07Å; E597-F604 HydrophobicContact CG-CE1 3.64Å; E597-F604 HydrophobicContact CG-CE2 4.32Å; E597-F604 HydrophobicContact CG-CZ 3.77Å; G602-F604 VanDerWaalsContact O-CD2 3.32Å; G602-F604 WeakPolarHBondContact O-CD2 3.19Å; G602-F604 WeakPolarHBondContact O-CE2 3.25Å
605	F	84.2	Confident	81.3	Confident	45 Å²	45	71.3 Å²	71.3	20%	0.197	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.2	-179.5	-61.7	-90	0	0	0	111.9	K594 Y596 C598 K603 Q607 L611 H614	K594-F605 CarbonylContact C-O 3.6Å; K594-F605 VanDerWaalsContact CA-O 3.27Å; K594-F605 WeakPolarHBondContact CA-O 3.49Å; Y596-F605 WeakPolarHBondContact CB-O 3.35Å; Y596-F605 WeakPolarHBondContact CD2-O 3.49Å; Y596-F605 PolarHBondContact N-O 3.17Å; Y596-F605 VanDerWaalsContact N-O 3.14Å; Y596-F605 PolarHBondContact O-N 3.25Å; C598-F605 HydrophobicContact CB-CE2 4.18Å; K603-F605 HydrophobicContact CB-CE2 3.75Å; K603-F605 HydrophobicContact CB-CZ 4.04Å; K603-F605 VanDerWaalsContact O-CD2 3.29Å; K603-F605 WeakPolarHBondContact O-CD2 3.14Å; K603-F605 WeakPolarHBondContact O-CE2 3.44Å; F605-Q607 VanDerWaalsContact C-N 3.34Å; F605-L611 HydrophobicContact CB-CB 4.48Å; F605-L611 HydrophobicContact CD2-CB 4.3Å; F605-L611 HydrophobicContact CD2-CD1 3.76Å; F605-L611 HydrophobicContact CE2-CD1 4.09Å; F605-H614 HydrophobicContact CE1-CB 4.05Å; F605-H614 HydrophobicContact CE2-CB 4.02Å; F605-H614 AromaticContact CE2-CD2 3.3Å; F605-H614 WeakPolarHBondContact CE2-CD2 3.21Å; F605-H614 AromaticContact CE2-CG 3.74Å; F605-H614 HydrophobicContact CZ-CB 3.6Å; F605-H614 AromaticContact CZ-CD2 3.26Å; F605-H614 WeakPolarHBondContact CZ-CD2 3.47Å; F605-H614 AromaticContact CZ-CG 3.28Å; F605-H614 AromaticContact CZ-ND1 3.92Å; F605-H614 AromaticContact CZ-NE2 3.88Å
606	S	81.5	Confident	81.6	Confident	35 Å²	35	70.4 Å²	70.4	25%	0.245	34%	0.338	C	S	.	.	S	Bend	trans	-80.8	-10.7	178.2	56.8	0	0	0	0	114.6	R588 E593	R588-S606 PolarHBondContact NH1-O 3.06Å; E593-S606 WeakPolarHBondContact O-CB 3.43Å
607	Q	82.9	Confident	81.4	Confident	34 Å²	34	72.3 Å²	72.3	16%	0.159	35%	0.352	C	S	.	.	S	Bend	trans	-140.5	134.9	179.8	-56.2	-178.1	43.7	0	0	111.5	R585 F605 S609 Y610 L611	R585-Q607 HydrophobicContact CG-CG 4.3Å; F605-Q607 VanDerWaalsContact C-N 3.34Å; Q607-S609 PolarHBondContact O-N 3.31Å; Q607-Y610 HydrophobicContact CB-CD2 3.88Å; Q607-Y610 HydrophobicContact CB-CE2 4.26Å; Q607-Y610 HydrophobicContact CB-CG 4.15Å; Q607-Y610 HydrophobicContact CG-CD2 4.12Å; Q607-Y610 HydrophobicContact CG-CE2 4.04Å; Q607-Y610 VanDerWaalsContact NE2-CE2 3.35Å; Q607-Y610 PolarHBondContact NE2-OH 3.38Å; Q607-Y610 WeakPolarHBondContact O-CB 3.37Å; Q607-Y610 PolarHBondContact O-N 3.18Å; Q607-L611 PolarHBondContact O-N 3.22Å
608	K	79.4	Confident	81.1	Confident	139 Å²	139	72.3 Å²	72.3	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-57.9	-33.4	176.6	-174.5	174.3	-179.4	175.6	0	113	Y596 Y610 L611 T612	Y596-K608 HydrophobicContact CD1-CB 4.05Å; Y596-K608 HydrophobicContact CD2-CB 4.48Å; Y596-K608 VanDerWaalsContact CD2-N 3.27Å; Y596-K608 HydrophobicContact CE1-CB 3.98Å; Y596-K608 HydrophobicContact CE2-CB 4.4Å; Y596-K608 HydrophobicContact CG-CB 4.31Å; K608-Y610 VanDerWaalsContact C-N 3.31Å; K608-Y610 PolarHBondContact O-N 3.46Å; K608-L611 WeakPolarHBondContact O-CB 3.17Å; K608-L611 PolarHBondContact O-N 3.06Å; K608-T612 PolarHBondContact O-N 2.99Å; K608-T612 PolarHBondContact O-OG1 3.12Å; K608-T612 VanDerWaalsContact O-OG1 3.12Å
609	S	80.2	Confident	80.8	Confident	57 Å²	57	75.4 Å²	75.4	40%	0.399	37%	0.374	S	S	.	.	H	α-helix	trans	-59.7	-38.8	173.7	49.7	0	0	0	0	112.8	Q607 I613	Q607-S609 PolarHBondContact O-N 3.31Å; S609-I613 WeakPolarHBondContact O-CB 3.31Å; S609-I613 WeakPolarHBondContact O-CD1 3.46Å; S609-I613 VanDerWaalsContact O-CG1 3.22Å; S609-I613 WeakPolarHBondContact O-CG1 3.49Å; S609-I613 PolarHBondContact O-N 3.19Å
610	Y	82.7	Confident	80.6	Confident	117 Å²	117	67.8 Å²	67.8	46%	0.459	36%	0.357	S	S	.	.	H	α-helix	trans	-72	-36.3	176.1	-61.4	-21.4	0	0	0	111.7	Q607 K608 I613 H614	Q607-Y610 HydrophobicContact CB-CD2 3.88Å; Q607-Y610 HydrophobicContact CB-CE2 4.26Å; Q607-Y610 HydrophobicContact CB-CG 4.15Å; Q607-Y610 HydrophobicContact CG-CD2 4.12Å; Q607-Y610 HydrophobicContact CG-CE2 4.04Å; Q607-Y610 VanDerWaalsContact NE2-CE2 3.35Å; Q607-Y610 PolarHBondContact NE2-OH 3.38Å; Q607-Y610 WeakPolarHBondContact O-CB 3.37Å; Q607-Y610 PolarHBondContact O-N 3.18Å; K608-Y610 VanDerWaalsContact C-N 3.31Å; K608-Y610 PolarHBondContact O-N 3.46Å; Y610-I613 PolarHBondContact O-N 2.91Å; Y610-H614 VanDerWaalsContact O-CB 3.29Å; Y610-H614 WeakPolarHBondContact O-CB 3.33Å; Y610-H614 PolarHBondContact O-N 2.94Å
611	L	82.4	Confident	80.5	Confident	23 Å²	23	67 Å²	67	12%	0.12	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-51.4	170.8	-178.8	66.6	0	0	0	111.2	E597 C598 F605 Q607 K608 I613 H614 H615	E597-L611 WeakPolarHBondContact O-CD1 3.47Å; E597-L611 WeakPolarHBondContact O-CD2 3.44Å; C598-L611 HydrophobicContact CB-CD1 3.51Å; F605-L611 HydrophobicContact CB-CB 4.48Å; F605-L611 HydrophobicContact CD2-CB 4.3Å; F605-L611 HydrophobicContact CD2-CD1 3.76Å; F605-L611 HydrophobicContact CE2-CD1 4.09Å; Q607-L611 PolarHBondContact O-N 3.22Å; K608-L611 WeakPolarHBondContact O-CB 3.17Å; K608-L611 PolarHBondContact O-N 3.06Å; L611-I613 VanDerWaalsContact C-N 3.27Å; L611-I613 PolarHBondContact O-N 2.81Å; L611-H614 CarbonylContact O-C 3.5Å; L611-H614 WeakPolarHBondContact O-CA 3.3Å; L611-H614 WeakPolarHBondContact O-CB 3.47Å; L611-H614 PolarHBondContact O-N 2.97Å; L611-H615 VanDerWaalsContact CD1-NE2 3.33Å; L611-H615 WeakPolarHBondContact CD1-NE2 3.38Å; L611-H615 PolarHBondContact O-CD2 2.81Å; L611-H615 PolarHBondContact O-N 3.4Å
612	T	80.3	Confident	80.6	Confident	74 Å²	74	70.6 Å²	70.6	45%	0.454	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-36.8	177.6	-55.3	0	0	0	0	112.6	K608 H614	K608-T612 PolarHBondContact O-N 2.99Å; K608-T612 PolarHBondContact O-OG1 3.12Å; K608-T612 VanDerWaalsContact O-OG1 3.12Å; T612-H614 VanDerWaalsContact C-N 3.32Å
613	I	79.4	Confident	80.7	Confident	51 Å²	51	72.2 Å²	72.2	26%	0.262	37%	0.367	S	S	.	.	H	α-helix	trans	-73.2	-24.7	174.2	-69.5	167.8	0	0	0	112	S609 Y610 L611 R635	S609-I613 WeakPolarHBondContact O-CB 3.31Å; S609-I613 WeakPolarHBondContact O-CD1 3.46Å; S609-I613 VanDerWaalsContact O-CG1 3.22Å; S609-I613 WeakPolarHBondContact O-CG1 3.49Å; S609-I613 PolarHBondContact O-N 3.19Å; Y610-I613 PolarHBondContact O-N 2.91Å; L611-I613 VanDerWaalsContact C-N 3.27Å; L611-I613 PolarHBondContact O-N 2.81Å; I613-R635 HydrophobicContact CG2-CG 4.19Å
614	H	83	Confident	80.8	Confident	16 Å²	16	69.7 Å²	69.7	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-78.4	-38.2	176.4	179.4	50.3	0	0	0	112.8	C598 C601 F605 Y610 L611 T612 R616 I617 H618	C598-H614 VanDerWaalsContact SG-CD2 3.57Å; C601-H614 PolarHBondContact SG-NE2 3.08Å; F605-H614 HydrophobicContact CE1-CB 4.05Å; F605-H614 HydrophobicContact CE2-CB 4.02Å; F605-H614 AromaticContact CE2-CD2 3.3Å; F605-H614 WeakPolarHBondContact CE2-CD2 3.21Å; F605-H614 AromaticContact CE2-CG 3.74Å; F605-H614 HydrophobicContact CZ-CB 3.6Å; F605-H614 AromaticContact CZ-CD2 3.26Å; F605-H614 WeakPolarHBondContact CZ-CD2 3.47Å; F605-H614 AromaticContact CZ-CG 3.28Å; F605-H614 AromaticContact CZ-ND1 3.92Å; F605-H614 AromaticContact CZ-NE2 3.88Å; Y610-H614 VanDerWaalsContact O-CB 3.29Å; Y610-H614 WeakPolarHBondContact O-CB 3.33Å; Y610-H614 PolarHBondContact O-N 2.94Å; L611-H614 CarbonylContact O-C 3.5Å; L611-H614 WeakPolarHBondContact O-CA 3.3Å; L611-H614 WeakPolarHBondContact O-CB 3.47Å; L611-H614 PolarHBondContact O-N 2.97Å; T612-H614 VanDerWaalsContact C-N 3.32Å; H614-R616 PolarHBondContact O-N 2.87Å; H614-R616 VanDerWaalsContact O-N 3.12Å; H614-I617 VanDerWaalsContact O-CB 3.27Å; H614-I617 WeakPolarHBondContact O-CB 3.33Å; H614-I617 WeakPolarHBondContact O-CG1 3.25Å; H614-I617 PolarHBondContact O-N 3.09Å; H614-H618 AromaticContact CD2-NE2 3.87Å; H614-H618 AromaticContact CE1-NE2 3.74Å; H614-H618 AromaticContact NE2-CE1 3.85Å; H614-H618 AromaticContact NE2-NE2 3.27Å; H614-H618 PolarHBondContact NE2-NE2 3.23Å
615	H	78.8	Confident	80.9	Confident	60 Å²	60	70 Å²	70	28%	0.278	36%	0.358	S	S	.	.	H	α-helix	trans	-56	-30.3	176.6	-79.1	-129.1	0	0	0	112.3	E600 L611 I617 H618 S619	E600-H615 IonicContact OE2-CE1 3.95Å; E600-H615 IonicContact OE2-CG 3.6Å; E600-H615 IonicContact OE2-ND1 2.82Å; L611-H615 VanDerWaalsContact CD1-NE2 3.33Å; L611-H615 WeakPolarHBondContact CD1-NE2 3.38Å; L611-H615 PolarHBondContact O-CD2 2.81Å; L611-H615 PolarHBondContact O-N 3.4Å; H615-I617 PolarHBondContact O-N 3.26Å; H615-H618 PolarHBondContact O-N 3.45Å; H615-S619 PolarHBondContact O-N 2.99Å; H615-S619 PolarHBondContact O-OG 3.42Å
616	R	83.7	Confident	80.9	Confident	50 Å²	50	67.9 Å²	67.9	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-63	-9.4	172.6	-59.5	-167.5	176.2	144.1	5.7	115.4	H614 G620 E621 S634	H614-R616 PolarHBondContact O-N 2.87Å; H614-R616 VanDerWaalsContact O-N 3.12Å; R616-G620 CarbonylContact O-C 3.54Å; R616-G620 PolarHBondContact O-N 3.24Å; R616-E621 HydrophobicContact CB-CB 4.1Å; R616-E621 HydrophobicContact CG-CB 3.88Å; R616-E621 IonicContact NE-OE2 2.69Å; R616-E621 PolarHBondContact NE-OE2 3.39Å; R616-S634 PolarHBondContact NH1-O 2.86Å
617	I	80.5	Confident	81	Confident	117 Å²	117	71.3 Å²	71.3	60%	0.6	37%	0.373	S	S	*	.	H	α-helix	trans	-79.2	-36.3	170.1	-57.3	-173.1	0	0	0	110	H614 H615	H614-I617 VanDerWaalsContact O-CB 3.27Å; H614-I617 WeakPolarHBondContact O-CB 3.33Å; H614-I617 WeakPolarHBondContact O-CG1 3.25Å; H614-I617 PolarHBondContact O-N 3.09Å; H615-I617 PolarHBondContact O-N 3.26Å
618	H	77.7	Confident	80.9	Confident	73 Å²	73	75.9 Å²	75.9	34%	0.338	39%	0.392	S	S	.	.	H	α-helix	trans	-85.3	-46.5	-179.1	-49.9	-52.2	0	0	0	111.5	C598 E600 C601 H614 H615 G620	C598-H618 PolarHBondContact SG-NE2 3.36Å; C598-H618 VanDerWaalsContact SG-NE2 3.39Å; E600-H618 IonicContact OE2-CD2 2.83Å; E600-H618 PolarHBondContact OE2-CD2 3.43Å; E600-H618 IonicContact OE2-CG 3.31Å; C601-H618 PolarHBondContact SG-NE2 3.1Å; C601-H618 VanDerWaalsContact SG-NE2 3.42Å; H614-H618 AromaticContact CD2-NE2 3.87Å; H614-H618 AromaticContact CE1-NE2 3.74Å; H614-H618 AromaticContact NE2-CE1 3.85Å; H614-H618 AromaticContact NE2-NE2 3.27Å; H614-H618 PolarHBondContact NE2-NE2 3.23Å; H615-H618 PolarHBondContact O-N 3.45Å; H618-G620 PolarHBondContact O-N 3.23Å
619	S	76.4	Confident	81.2	Confident	65 Å²	65	71.9 Å²	71.9	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-74.6	-7.2	174.9	70.9	0	0	0	0	114.2	H615 E621	H615-S619 PolarHBondContact O-N 2.99Å; H615-S619 PolarHBondContact O-OG 3.42Å; S619-E621 PolarHBondContact O-N 3.23Å; S619-E621 WeakPolarHBondContact OG-CG 3.3Å; S619-E621 PolarHBondContact OG-OE1 3.41Å
620	G	77.9	Confident	81.2	Confident	43 Å²	43	71.2 Å²	71.2	44%	0.443	38%	0.383	S	S	.	.			trans	67.8	-0.1	-179.6	0	0	0	0	0	116	R616 H618 K622	R616-G620 CarbonylContact O-C 3.54Å; R616-G620 PolarHBondContact O-N 3.24Å; H618-G620 PolarHBondContact O-N 3.23Å; G620-K622 PolarHBondContact O-N 3.33Å
621	E	78.3	Confident	81.2	Confident	97 Å²	97	71.6 Å²	71.6	45%	0.453	39%	0.387	S	S	.	.			trans	-50.7	127.3	-174.5	-86.6	175.7	-141.9	0	0	114.2	R616 S619 P623 S634	R616-E621 HydrophobicContact CB-CB 4.1Å; R616-E621 HydrophobicContact CG-CB 3.88Å; R616-E621 IonicContact NE-OE2 2.69Å; R616-E621 PolarHBondContact NE-OE2 3.39Å; S619-E621 PolarHBondContact O-N 3.23Å; S619-E621 WeakPolarHBondContact OG-CG 3.3Å; S619-E621 PolarHBondContact OG-OE1 3.41Å; E621-P623 HydrophobicContact CB-CG 4.33Å; E621-S634 VanDerWaalsContact O-CB 3.27Å; E621-S634 WeakPolarHBondContact O-CB 3.44Å
622	K	82.4	Confident	81.3	Confident	122 Å²	122	73.8 Å²	73.8	53%	0.53	40%	0.401	S	S	.	.			trans	-127.8	70.9	173.3	-66.1	169.1	-165.2	165.1	0	111.7	G620 Y624 V632 F633	G620-K622 PolarHBondContact O-N 3.33Å; K622-Y624 PolarHBondContact O-N 3.37Å; K622-V632 HydrophobicContact CB-CB 3.82Å; K622-V632 HydrophobicContact CB-CG2 4Å; K622-V632 HydrophobicContact CD-CB 4.47Å; K622-V632 HydrophobicContact CD-CG2 3.81Å; K622-F633 CarbonylContact C-O 3.11Å; K622-F633 VanDerWaalsContact CA-O 3.27Å; K622-F633 WeakPolarHBondContact CA-O 3.48Å
623	P	79.1	Confident	81.5	Confident	72 Å²	72	72.5 Å²	72.5	47%	0.468	39%	0.389	S	S	.	.			trans	-73	3.6	-168.2	-17.6	33.5	0	0	0	116	E621	E621-P623 HydrophobicContact CB-CG 4.33Å
624	Y	83.4	Confident	81.6	Confident	63 Å²	63	71.9 Å²	71.9	25%	0.247	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	99.9	-172.2	-53.5	-74	0	0	0	110.4	K622 F633 R635 M636	K622-Y624 PolarHBondContact O-N 3.37Å; Y624-F633 WeakPolarHBondContact CD2-O 3.39Å; Y624-F633 PolarHBondContact N-O 3.02Å; Y624-F633 VanDerWaalsContact N-O 3.13Å; Y624-F633 PolarHBondContact O-N 3.25Å; Y624-R635 VanDerWaalsContact CD2-C 3.42Å; Y624-M636 HydrophobicContact CD1-CB 4.01Å; Y624-M636 HydrophobicContact CD1-CE 3.61Å; Y624-M636 HydrophobicContact CD1-SD 3.92Å; Y624-M636 VanDerWaalsContact CD2-N 3.32Å; Y624-M636 HydrophobicContact CE1-CB 3.95Å; Y624-M636 HydrophobicContact CE1-CE 3.84Å; Y624-M636 HydrophobicContact CE1-SD 4.47Å; Y624-M636 HydrophobicContact CG-CB 4.34Å
625	E	83.6	Confident	81.5	Confident	118 Å²	118	76.6 Å²	76.6	55%	0.551	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	146.3	-179.9	-167.6	176.5	155.4	0	0	113	V632 L639 Y643	E625-V632 HydrophobicContact CB-CG1 4Å; E625-V632 HydrophobicContact CG-CG1 3.86Å; E625-L639 VanDerWaalsContact O-CD2 3.25Å; E625-L639 WeakPolarHBondContact O-CD2 3.34Å; E625-Y643 PolarHBondContact O-OH 2.91Å
626	C	85.4	Confident	81.6	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	42%	0.418	C	S	.	.			trans	-90.5	106.6	172.1	-169.4	0	0	0	0	111.7	K628 C629 G630 K631 F633 L639 Y643 H646	C626-K628 PolarHBondContact O-N 3.39Å; C626-C629 PolarHBondContact O-N 2.99Å; C626-G630 PolarHBondContact O-N 3.37Å; C626-K631 HydrophobicContact CB-CB 4.45Å; C626-K631 WeakPolarHBondContact CB-O 3.18Å; C626-K631 PolarHBondContact N-O 3.44Å; C626-F633 HydrophobicContact CB-CE2 4.44Å; C626-L639 HydrophobicContact CB-CD1 3.54Å; C626-Y643 WeakPolarHBondContact SG-CE1 3.22Å; C626-H646 VanDerWaalsContact SG-CD2 3.57Å; C626-H646 PolarHBondContact SG-NE2 3.26Å
627	S	84.1	Confident	81.4	Confident	106 Å²	106	79.5 Å²	79.5	74%	0.741	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18	-179.6	60.4	0	0	0	0	114.6	Y643	S627-Y643 PolarHBondContact N-OH 2.82Å; S627-Y643 PolarHBondContact OG-OH 3.13Å
628	K	79.7	Confident	81.6	Confident	130 Å²	130	77.3 Å²	77.3	57%	0.565	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.1	175.7	-74.1	-168.5	171.9	-168.3	0	114.6	C626 H646	C626-K628 PolarHBondContact O-N 3.39Å; K628-H646 HydrophobicContact CD-CB 3.52Å; K628-H646 PolarHBondContact NZ-O 3.14Å
629	C	85.2	Confident	81.9	Confident	55 Å²	55	74.2 Å²	74.2	37%	0.372	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.7	13.3	-175.7	70.8	0	0	0	0	117	C626 K631 H642 H646	C626-C629 PolarHBondContact O-N 2.99Å; C629-K631 PolarHBondContact O-N 3.07Å; C629-H642 PolarHBondContact SG-NE2 3.2Å; C629-H646 PolarHBondContact SG-NE2 2.9Å
630	G	80.5	Confident	82.2	Confident	43 Å²	43	74.1 Å²	74.1	44%	0.443	40%	0.404	S	S	.	.			trans	67.3	3.9	177.4	0	0	0	0	0	116	C626 V632	C626-G630 PolarHBondContact O-N 3.37Å; G630-V632 PolarHBondContact O-N 2.89Å
631	K	83.6	Confident	82.4	Confident	125 Å²	125	74.6 Å²	74.6	54%	0.543	40%	0.398	S	S	.	.			trans	-74.2	122.4	-178.2	-72.8	-177.6	178.6	177.6	0	110.9	C626 C629 F633	C626-K631 HydrophobicContact CB-CB 4.45Å; C626-K631 WeakPolarHBondContact CB-O 3.18Å; C626-K631 PolarHBondContact N-O 3.44Å; C629-K631 PolarHBondContact O-N 3.07Å; K631-F633 HydrophobicContact CB-CE2 3.77Å; K631-F633 HydrophobicContact CB-CZ 4.07Å; K631-F633 VanDerWaalsContact O-CD2 3.3Å; K631-F633 WeakPolarHBondContact O-CD2 3.48Å; K631-F633 WeakPolarHBondContact O-CE2 3.49Å
632	V	84.6	Confident	82.8	Confident	69 Å²	69	71.2 Å²	71.2	42%	0.418	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.6	-177.9	-69	0	0	0	0	113.1	K622 E625 G630	K622-V632 HydrophobicContact CB-CB 3.82Å; K622-V632 HydrophobicContact CB-CG2 4Å; K622-V632 HydrophobicContact CD-CB 4.47Å; K622-V632 HydrophobicContact CD-CG2 3.81Å; E625-V632 HydrophobicContact CB-CG1 4Å; E625-V632 HydrophobicContact CG-CG1 3.86Å; G630-V632 PolarHBondContact O-N 2.89Å
633	F	83.9	Confident	82.7	Confident	47 Å²	47	68.9 Å²	68.9	21%	0.206	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148	-175.5	-60.6	-93	0	0	0	111.9	K622 Y624 C626 K631 N638 L639 H642	K622-F633 CarbonylContact C-O 3.11Å; K622-F633 VanDerWaalsContact CA-O 3.27Å; K622-F633 WeakPolarHBondContact CA-O 3.48Å; Y624-F633 WeakPolarHBondContact CD2-O 3.39Å; Y624-F633 PolarHBondContact N-O 3.02Å; Y624-F633 VanDerWaalsContact N-O 3.13Å; Y624-F633 PolarHBondContact O-N 3.25Å; C626-F633 HydrophobicContact CB-CE2 4.44Å; K631-F633 HydrophobicContact CB-CE2 3.77Å; K631-F633 HydrophobicContact CB-CZ 4.07Å; K631-F633 VanDerWaalsContact O-CD2 3.3Å; K631-F633 WeakPolarHBondContact O-CD2 3.48Å; K631-F633 WeakPolarHBondContact O-CE2 3.49Å; F633-N638 HydrophobicContact CB-CB 4.36Å; F633-N638 HydrophobicContact CD1-CB 3.86Å; F633-N638 HydrophobicContact CG-CB 4.39Å; F633-L639 HydrophobicContact CB-CB 4.35Å; F633-L639 HydrophobicContact CD2-CB 4.01Å; F633-L639 HydrophobicContact CD2-CD1 3.86Å; F633-L639 HydrophobicContact CE2-CD1 4.01Å; F633-L639 HydrophobicContact CG-CB 4.3Å; F633-H642 HydrophobicContact CE1-CB 4.18Å; F633-H642 HydrophobicContact CE2-CB 4.06Å; F633-H642 AromaticContact CE2-CD2 3.4Å; F633-H642 WeakPolarHBondContact CE2-CD2 3.4Å; F633-H642 AromaticContact CE2-CG 3.94Å; F633-H642 HydrophobicContact CZ-CB 3.6Å; F633-H642 AromaticContact CZ-CD2 3.35Å; F633-H642 WeakPolarHBondContact CZ-CD2 3.46Å; F633-H642 AromaticContact CZ-CG 3.48Å; F633-H642 VanDerWaalsContact CZ-CG 3.48Å
634	S	81	Confident	83	Confident	39 Å²	39	67.5 Å²	67.5	27%	0.273	36%	0.356	S	S	.	.	S	Bend	trans	-83	-7.4	177.7	57	0	0	0	0	114.8	R616 E621	R616-S634 PolarHBondContact NH1-O 2.86Å; E621-S634 VanDerWaalsContact O-CB 3.27Å; E621-S634 WeakPolarHBondContact O-CB 3.44Å
635	R	80.9	Confident	83	Confident	115 Å²	115	68.5 Å²	68.5	43%	0.434	37%	0.372	S	S	.	.	S	Bend	trans	-141.8	132.9	179.7	-57.2	-178.5	-175	-171	-1.5	111.2	I613 Y624 S637 N638 L639	I613-R635 HydrophobicContact CG2-CG 4.19Å; Y624-R635 VanDerWaalsContact CD2-C 3.42Å; R635-S637 VanDerWaalsContact C-N 3.25Å; R635-S637 PolarHBondContact O-N 3Å; R635-N638 WeakPolarHBondContact O-CB 3.18Å; R635-N638 PolarHBondContact O-N 3.02Å; R635-L639 PolarHBondContact O-N 3.3Å
636	M	80.8	Confident	82.9	Confident	102 Å²	102	65.9 Å²	65.9	50%	0.502	36%	0.36	S	S	.	.	H	α-helix	trans	-54.6	-40	176.1	-175	63.4	90.8	0	0	112.4	Y624 N638 L639 T640	Y624-M636 HydrophobicContact CD1-CB 4.01Å; Y624-M636 HydrophobicContact CD1-CE 3.61Å; Y624-M636 HydrophobicContact CD1-SD 3.92Å; Y624-M636 VanDerWaalsContact CD2-N 3.32Å; Y624-M636 HydrophobicContact CE1-CB 3.95Å; Y624-M636 HydrophobicContact CE1-CE 3.84Å; Y624-M636 HydrophobicContact CE1-SD 4.47Å; Y624-M636 HydrophobicContact CG-CB 4.34Å; M636-N638 PolarHBondContact O-N 2.81Å; M636-N638 VanDerWaalsContact O-N 3.17Å; M636-L639 CarbonylContact O-C 3.57Å; M636-L639 WeakPolarHBondContact O-CA 3.35Å; M636-L639 WeakPolarHBondContact O-CB 3.4Å; M636-L639 PolarHBondContact O-N 3.13Å; M636-L639 HydrophobicContact SD-CD2 4.06Å; M636-T640 PolarHBondContact O-N 3.03Å; M636-T640 PolarHBondContact O-OG1 3.48Å; M636-T640 VanDerWaalsContact O-OG1 3.07Å
637	S	80.1	Confident	82.6	Confident	69 Å²	69	68.7 Å²	68.7	48%	0.483	38%	0.379	S	S	.	.	H	α-helix	trans	-54.1	-36.8	176.5	55.7	0	0	0	0	113.6	R635 V641	R635-S637 VanDerWaalsContact C-N 3.25Å; R635-S637 PolarHBondContact O-N 3Å; S637-V641 WeakPolarHBondContact O-CG2 3.3Å; S637-V641 PolarHBondContact O-N 2.82Å
638	N	84.5	Confident	82.4	Confident	70 Å²	70	66.1 Å²	66.1	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-76.2	-37.1	-178.2	-59.7	13.7	0	0	0	109.9	F633 R635 M636 V641 H642	F633-N638 HydrophobicContact CB-CB 4.36Å; F633-N638 HydrophobicContact CD1-CB 3.86Å; F633-N638 HydrophobicContact CG-CB 4.39Å; R635-N638 WeakPolarHBondContact O-CB 3.18Å; R635-N638 PolarHBondContact O-N 3.02Å; M636-N638 PolarHBondContact O-N 2.81Å; M636-N638 VanDerWaalsContact O-N 3.17Å; N638-V641 PolarHBondContact O-N 3.2Å; N638-H642 WeakPolarHBondContact O-CB 3.27Å; N638-H642 PolarHBondContact O-N 2.97Å
639	L	84.6	Confident	82.5	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-64.6	-43.3	171.4	175.8	60.6	0	0	0	111.6	E625 C626 F633 R635 M636 V641 H642 Y643	E625-L639 VanDerWaalsContact O-CD2 3.25Å; E625-L639 WeakPolarHBondContact O-CD2 3.34Å; C626-L639 HydrophobicContact CB-CD1 3.54Å; F633-L639 HydrophobicContact CB-CB 4.35Å; F633-L639 HydrophobicContact CD2-CB 4.01Å; F633-L639 HydrophobicContact CD2-CD1 3.86Å; F633-L639 HydrophobicContact CE2-CD1 4.01Å; F633-L639 HydrophobicContact CG-CB 4.3Å; R635-L639 PolarHBondContact O-N 3.3Å; M636-L639 CarbonylContact O-C 3.57Å; M636-L639 WeakPolarHBondContact O-CA 3.35Å; M636-L639 WeakPolarHBondContact O-CB 3.4Å; M636-L639 PolarHBondContact O-N 3.13Å; M636-L639 HydrophobicContact SD-CD2 4.06Å; L639-V641 PolarHBondContact O-N 2.79Å; L639-H642 CarbonylContact O-C 3.19Å; L639-H642 WeakPolarHBondContact O-CB 3.37Å; L639-H642 PolarHBondContact O-N 3.21Å; L639-H642 VanDerWaalsContact O-N 3.12Å; L639-Y643 HydrophobicContact CD1-CD2 3.81Å; L639-Y643 HydrophobicContact CD1-CE2 3.47Å; L639-Y643 VanDerWaalsContact CD1-CE2 3.47Å; L639-Y643 HydrophobicContact CD2-CE2 3.8Å; L639-Y643 HydrophobicContact CG-CD2 3.77Å; L639-Y643 HydrophobicContact CG-CE2 3.46Å; L639-Y643 VanDerWaalsContact CG-CE2 3.46Å; L639-Y643 WeakPolarHBondContact O-CD2 3.29Å; L639-Y643 PolarHBondContact O-N 2.89Å
640	T	82.8	Confident	82.5	Confident	64 Å²	64	67.8 Å²	67.8	39%	0.393	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-44.8	175	-48.4	0	0	0	0	111.7	M636 H642 Y643 R644	M636-T640 PolarHBondContact O-N 3.03Å; M636-T640 PolarHBondContact O-OG1 3.48Å; M636-T640 VanDerWaalsContact O-OG1 3.07Å; T640-H642 VanDerWaalsContact C-N 3.28Å; T640-H642 PolarHBondContact O-N 3.27Å; T640-Y643 PolarHBondContact O-N 3.48Å; T640-R644 PolarHBondContact O-N 3.02Å
641	V	82.8	Confident	82.6	Confident	52 Å²	52	69.1 Å²	69.1	32%	0.315	37%	0.373	S	S	.	.	H	α-helix	trans	-64.7	-32.9	175.2	168.5	0	0	0	0	111.7	S637 N638 L639 Q663	S637-V641 WeakPolarHBondContact O-CG2 3.3Å; S637-V641 PolarHBondContact O-N 2.82Å; N638-V641 PolarHBondContact O-N 3.2Å; L639-V641 PolarHBondContact O-N 2.79Å; V641-Q663 HydrophobicContact CG1-CG 3.88Å; V641-Q663 VanDerWaalsContact CG1-NE2 3.34Å
642	H	85.2	Confident	82.7	Confident	27 Å²	27	66.6 Å²	66.6	13%	0.125	36%	0.36	C	S	.	.	H	α-helix	trans	-72.7	-38.4	173.9	-179.4	41.8	0	0	0	113.3	C629 F633 N638 L639 T640 R644 S645 H646	C629-H642 PolarHBondContact SG-NE2 3.2Å; F633-H642 HydrophobicContact CE1-CB 4.18Å; F633-H642 HydrophobicContact CE2-CB 4.06Å; F633-H642 AromaticContact CE2-CD2 3.4Å; F633-H642 WeakPolarHBondContact CE2-CD2 3.4Å; F633-H642 AromaticContact CE2-CG 3.94Å; F633-H642 HydrophobicContact CZ-CB 3.6Å; F633-H642 AromaticContact CZ-CD2 3.35Å; F633-H642 WeakPolarHBondContact CZ-CD2 3.46Å; F633-H642 AromaticContact CZ-CG 3.48Å; F633-H642 VanDerWaalsContact CZ-CG 3.48Å; N638-H642 WeakPolarHBondContact O-CB 3.27Å; N638-H642 PolarHBondContact O-N 2.97Å; L639-H642 CarbonylContact O-C 3.19Å; L639-H642 WeakPolarHBondContact O-CB 3.37Å; L639-H642 PolarHBondContact O-N 3.21Å; L639-H642 VanDerWaalsContact O-N 3.12Å; T640-H642 VanDerWaalsContact C-N 3.28Å; T640-H642 PolarHBondContact O-N 3.27Å; H642-R644 PolarHBondContact O-N 3.38Å; H642-R644 VanDerWaalsContact O-N 3.15Å; H642-S645 PolarHBondContact CE1-OG 3.33Å; H642-S645 PolarHBondContact ND1-OG 3.04Å; H642-S645 VanDerWaalsContact ND1-OG 3.09Å; H642-S645 PolarHBondContact O-N 3.36Å; H642-S645 PolarHBondContact O-OG 3.02Å; H642-H646 AromaticContact CD2-NE2 3.83Å; H642-H646 AromaticContact CE1-CD2 3.93Å; H642-H646 AromaticContact CE1-CE1 3.85Å; H642-H646 AromaticContact CE1-NE2 3.21Å; H642-H646 PolarHBondContact CE1-NE2 2.88Å; H642-H646 AromaticContact NE2-CD2 3.85Å; H642-H646 AromaticContact NE2-CE1 3.93Å; H642-H646 AromaticContact NE2-NE2 3.03Å; H642-H646 PolarHBondContact NE2-NE2 3.27Å
643	Y	80.9	Confident	82.8	Confident	72 Å²	72	68.5 Å²	68.5	28%	0.282	37%	0.365	S	S	.	.	H	α-helix	trans	-57.3	-31.3	175.2	-85	-61	0	0	0	112.2	E625 C626 S627 L639 T640 S645 H646 S647	E625-Y643 PolarHBondContact O-OH 2.91Å; C626-Y643 WeakPolarHBondContact SG-CE1 3.22Å; S627-Y643 PolarHBondContact N-OH 2.82Å; S627-Y643 PolarHBondContact OG-OH 3.13Å; L639-Y643 HydrophobicContact CD1-CD2 3.81Å; L639-Y643 HydrophobicContact CD1-CE2 3.47Å; L639-Y643 VanDerWaalsContact CD1-CE2 3.47Å; L639-Y643 HydrophobicContact CD2-CE2 3.8Å; L639-Y643 HydrophobicContact CG-CD2 3.77Å; L639-Y643 HydrophobicContact CG-CE2 3.46Å; L639-Y643 VanDerWaalsContact CG-CE2 3.46Å; L639-Y643 WeakPolarHBondContact O-CD2 3.29Å; L639-Y643 PolarHBondContact O-N 2.89Å; T640-Y643 PolarHBondContact O-N 3.48Å; Y643-S645 VanDerWaalsContact C-N 3.26Å; Y643-S645 PolarHBondContact O-N 3.09Å; Y643-H646 CarbonylContact O-C 3.51Å; Y643-H646 WeakPolarHBondContact O-CA 3.42Å; Y643-H646 WeakPolarHBondContact O-CB 3.39Å; Y643-H646 PolarHBondContact O-N 2.78Å; Y643-S647 PolarHBondContact O-N 3.4Å; Y643-S647 PolarHBondContact O-OG 2.94Å
644	R	85.8	Confident	83	Confident	43 Å²	43	66.2 Å²	66.2	16%	0.162	36%	0.355	C	S	.	.	H	α-helix	trans	-63.6	-23.8	173.4	-62.4	-174.3	-179.8	150.2	3.8	114.5	T640 H642 H646 G648 E649 S662	T640-R644 PolarHBondContact O-N 3.02Å; H642-R644 PolarHBondContact O-N 3.38Å; H642-R644 VanDerWaalsContact O-N 3.15Å; R644-H646 PolarHBondContact O-N 2.91Å; R644-G648 WeakPolarHBondContact O-CA 3.28Å; R644-G648 PolarHBondContact O-N 3.13Å; R644-E649 HydrophobicContact CB-CB 4.31Å; R644-E649 HydrophobicContact CG-CB 4Å; R644-E649 IonicContact NE-OE2 3.88Å; R644-S662 PolarHBondContact NH1-O 2.81Å
645	S	82.2	Confident	83.2	Confident	84 Å²	84	71.3 Å²	71.3	59%	0.587	38%	0.379	S	S	*	.	H	α-helix	trans	-74.3	-12.7	169.2	64.8	0	0	0	0	113.3	H642 Y643	H642-S645 PolarHBondContact CE1-OG 3.33Å; H642-S645 PolarHBondContact ND1-OG 3.04Å; H642-S645 VanDerWaalsContact ND1-OG 3.09Å; H642-S645 PolarHBondContact O-N 3.36Å; H642-S645 PolarHBondContact O-OG 3.02Å; Y643-S645 VanDerWaalsContact C-N 3.26Å; Y643-S645 PolarHBondContact O-N 3.09Å
646	H	82.1	Confident	83.3	Confident	63 Å²	63	71.8 Å²	71.8	29%	0.292	39%	0.386	S	S	.	.	H	α-helix	trans	-108	-12	177.4	-58.8	-64.7	0	0	0	114.5	C626 K628 C629 H642 Y643 R644	C626-H646 VanDerWaalsContact SG-CD2 3.57Å; C626-H646 PolarHBondContact SG-NE2 3.26Å; K628-H646 HydrophobicContact CD-CB 3.52Å; K628-H646 PolarHBondContact NZ-O 3.14Å; C629-H646 PolarHBondContact SG-NE2 2.9Å; H642-H646 AromaticContact CD2-NE2 3.83Å; H642-H646 AromaticContact CE1-CD2 3.93Å; H642-H646 AromaticContact CE1-CE1 3.85Å; H642-H646 AromaticContact CE1-NE2 3.21Å; H642-H646 PolarHBondContact CE1-NE2 2.88Å; H642-H646 AromaticContact NE2-CD2 3.85Å; H642-H646 AromaticContact NE2-CE1 3.93Å; H642-H646 AromaticContact NE2-NE2 3.03Å; H642-H646 PolarHBondContact NE2-NE2 3.27Å; Y643-H646 CarbonylContact O-C 3.51Å; Y643-H646 WeakPolarHBondContact O-CA 3.42Å; Y643-H646 WeakPolarHBondContact O-CB 3.39Å; Y643-H646 PolarHBondContact O-N 2.78Å; R644-H646 PolarHBondContact O-N 2.91Å
647	S	80.1	Confident	83.6	Confident	59 Å²	59	69.5 Å²	69.5	41%	0.413	38%	0.379	S	S	.	.	H	α-helix	trans	-107.7	-14.4	170.6	59.1	0	0	0	0	113.1	Y643 E649	Y643-S647 PolarHBondContact O-N 3.4Å; Y643-S647 PolarHBondContact O-OG 2.94Å; S647-E649 VanDerWaalsContact CB-OE1 3.23Å; S647-E649 WeakPolarHBondContact CB-OE1 3.37Å; S647-E649 PolarHBondContact O-N 3.04Å; S647-E649 WeakPolarHBondContact OG-CG 3.35Å; S647-E649 PolarHBondContact OG-OE1 3.08Å
648	G	79.1	Confident	83.7	Confident	52 Å²	52	68.2 Å²	68.2	54%	0.536	38%	0.377	S	S	.	.			trans	76.9	-0.9	-177.1	0	0	0	0	0	114.4	R644 K650	R644-G648 WeakPolarHBondContact O-CA 3.28Å; R644-G648 PolarHBondContact O-N 3.13Å; G648-K650 PolarHBondContact O-N 2.9Å
649	E	81.8	Confident	83.8	Confident	100 Å²	100	70.6 Å²	70.6	47%	0.467	38%	0.384	S	S	.	.			trans	-53.7	128.7	-178.4	-78.6	163.7	-119.6	0	0	113.3	R644 S647 P651	R644-E649 HydrophobicContact CB-CB 4.31Å; R644-E649 HydrophobicContact CG-CB 4Å; R644-E649 IonicContact NE-OE2 3.88Å; S647-E649 VanDerWaalsContact CB-OE1 3.23Å; S647-E649 WeakPolarHBondContact CB-OE1 3.37Å; S647-E649 PolarHBondContact O-N 3.04Å; S647-E649 WeakPolarHBondContact OG-CG 3.35Å; S647-E649 PolarHBondContact OG-OE1 3.08Å; E649-P651 HydrophobicContact CB-CG 4.34Å
650	K	84.7	Confident	83.9	Confident	120 Å²	120	73.4 Å²	73.4	52%	0.522	40%	0.401	S	S	.	.			trans	-127.6	73.1	174.8	-67.6	174.2	-174.6	177.4	0	111.3	G648 Y652 V660 F661	G648-K650 PolarHBondContact O-N 2.9Å; K650-Y652 PolarHBondContact O-N 3.35Å; K650-V660 HydrophobicContact CB-CB 3.81Å; K650-V660 HydrophobicContact CB-CG2 4Å; K650-V660 HydrophobicContact CD-CB 4.4Å; K650-V660 HydrophobicContact CD-CG2 3.78Å; K650-F661 CarbonylContact C-O 3.11Å; K650-F661 VanDerWaalsContact CA-O 3.25Å; K650-F661 WeakPolarHBondContact CA-O 3.29Å
651	P	82.6	Confident	84	Confident	71 Å²	71	72.5 Å²	72.5	46%	0.461	39%	0.392	S	S	.	.			trans	-75.3	11.4	-167.7	-16.6	33.4	0	0	0	115.9	E649	E649-P651 HydrophobicContact CB-CG 4.34Å
652	Y	86.1	Confident	84.1	Confident	72 Å²	72	71.8 Å²	71.8	28%	0.282	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	99.6	-175	-54.2	-71.4	0	0	0	110	K650 V660 F661 K664	K650-Y652 PolarHBondContact O-N 3.35Å; Y652-V660 CarbonylContact O-C 3.41Å; Y652-F661 WeakPolarHBondContact CD2-O 3.45Å; Y652-F661 PolarHBondContact N-O 2.84Å; Y652-F661 PolarHBondContact O-N 3.14Å; Y652-K664 HydrophobicContact CD1-CB 3.99Å; Y652-K664 HydrophobicContact CD2-CB 4.49Å; Y652-K664 VanDerWaalsContact CD2-N 3.27Å; Y652-K664 HydrophobicContact CE1-CB 3.91Å; Y652-K664 HydrophobicContact CE2-CB 4.4Å; Y652-K664 VanDerWaalsContact CE2-N 3.35Å; Y652-K664 HydrophobicContact CG-CB 4.28Å
653	E	86.9	Confident	84.1	Confident	109 Å²	109	72.9 Å²	72.9	51%	0.509	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	151.2	178.5	-166.5	169	163.2	0	0	112.2	K659 V660 L667	E653-K659 CarbonylContact C-O 3.59Å; E653-V660 HydrophobicContact CB-CG1 3.99Å; E653-V660 HydrophobicContact CG-CG1 3.87Å; E653-L667 WeakPolarHBondContact O-CD2 3.35Å
654	C	88.6	Confident	84.2	Confident	0 Å²	0	76 Å²	76	0%	0	41%	0.41	C	S	.	.			trans	-96.7	108.6	170.2	-177.7	0	0	0	0	110	E656 C657 G658 K659 F661 L667 Y671 H674	C654-E656 PolarHBondContact O-N 2.99Å; C654-C657 PolarHBondContact O-N 2.8Å; C654-C657 VanDerWaalsContact O-N 3.11Å; C654-G658 WeakPolarHBondContact O-CA 3.41Å; C654-G658 PolarHBondContact O-N 3.04Å; C654-K659 HydrophobicContact CB-CB 4.46Å; C654-K659 WeakPolarHBondContact CB-O 3.46Å; C654-K659 PolarHBondContact N-O 3.32Å; C654-F661 HydrophobicContact CB-CE2 4.45Å; C654-L667 HydrophobicContact CB-CD1 3.59Å; C654-Y671 WeakPolarHBondContact SG-CE1 3.3Å; C654-H674 PolarHBondContact SG-NE2 3.11Å; C654-H674 VanDerWaalsContact SG-NE2 3.39Å
655	N	85.2	Confident	84.1	Confident	146 Å²	146	76.8 Å²	76.8	78%	0.781	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.4	-175.7	-60.7	19.4	0	0	0	113.4	Y671	N655-Y671 PolarHBondContact N-OH 3.37Å; N655-Y671 VanDerWaalsContact N-OH 3.15Å
656	E	82.9	Confident	84.3	Confident	125 Å²	125	78.4 Å²	78.4	58%	0.584	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-17	-178.4	-62.8	172.3	147.1	0	0	113.3	C654 Y671 H674	C654-E656 PolarHBondContact O-N 2.99Å; E656-Y671 HydrophobicContact CG-CE1 4.24Å; E656-Y671 WeakPolarHBondContact OE2-CD1 3.33Å; E656-Y671 WeakPolarHBondContact OE2-CE1 3.19Å; E656-H674 VanDerWaalsContact OE2-CB 3.25Å; E656-H674 WeakPolarHBondContact OE2-CB 3.27Å; E656-H674 IonicContact OE2-CD2 3.84Å; E656-H674 PolarHBondContact OE2-CD2 2.74Å; E656-H674 IonicContact OE2-CG 3.5Å
657	C	86.4	Confident	84.5	Confident	53 Å²	53	76.2 Å²	76.2	36%	0.358	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.2	12.9	-177.6	75.4	0	0	0	0	116.5	C654 K659 H670 H674	C654-C657 PolarHBondContact O-N 2.8Å; C654-C657 VanDerWaalsContact O-N 3.11Å; C657-K659 PolarHBondContact O-N 3.08Å; C657-K659 VanDerWaalsContact O-N 3.08Å; C657-H670 PolarHBondContact SG-NE2 2.82Å; C657-H674 PolarHBondContact SG-NE2 3.2Å; C657-H674 VanDerWaalsContact SG-NE2 3.39Å
658	G	83	Confident	84.6	Confident	42 Å²	42	76.6 Å²	76.6	43%	0.433	41%	0.406	S	S	.	.			trans	67.1	5.6	176.5	0	0	0	0	0	115.8	C654 V660	C654-G658 WeakPolarHBondContact O-CA 3.41Å; C654-G658 PolarHBondContact O-N 3.04Å; G658-V660 PolarHBondContact O-N 3.46Å
659	K	85.9	Confident	84.8	Confident	121 Å²	121	76.1 Å²	76.1	53%	0.526	39%	0.392	S	S	.	.			trans	-75.3	123.8	-177.5	-72.2	178.9	-174.5	170.6	0	111	E653 C654 C657 F661	E653-K659 CarbonylContact C-O 3.59Å; C654-K659 HydrophobicContact CB-CB 4.46Å; C654-K659 WeakPolarHBondContact CB-O 3.46Å; C654-K659 PolarHBondContact N-O 3.32Å; C657-K659 PolarHBondContact O-N 3.08Å; C657-K659 VanDerWaalsContact O-N 3.08Å; K659-F661 HydrophobicContact CB-CE2 3.71Å; K659-F661 HydrophobicContact CB-CZ 4Å; K659-F661 VanDerWaalsContact O-CD2 3.3Å; K659-F661 WeakPolarHBondContact O-CD2 3.33Å; K659-F661 WeakPolarHBondContact O-CE2 3.5Å
660	V	86.6	Confident	85	Confident	66 Å²	66	72.4 Å²	72.4	40%	0.4	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.2	-178.4	-69.7	0	0	0	0	113	K650 Y652 E653 G658	K650-V660 HydrophobicContact CB-CB 3.81Å; K650-V660 HydrophobicContact CB-CG2 4Å; K650-V660 HydrophobicContact CD-CB 4.4Å; K650-V660 HydrophobicContact CD-CG2 3.78Å; Y652-V660 CarbonylContact O-C 3.41Å; E653-V660 HydrophobicContact CB-CG1 3.99Å; E653-V660 HydrophobicContact CG-CG1 3.87Å; G658-V660 PolarHBondContact O-N 3.46Å
661	F	86.2	Confident	84.8	Confident	46 Å²	46	69.9 Å²	69.9	20%	0.202	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.3	-175.1	-60.8	-92.2	0	0	0	112.3	K650 Y652 C654 K659 L667 H670	K650-F661 CarbonylContact C-O 3.11Å; K650-F661 VanDerWaalsContact CA-O 3.25Å; K650-F661 WeakPolarHBondContact CA-O 3.29Å; Y652-F661 WeakPolarHBondContact CD2-O 3.45Å; Y652-F661 PolarHBondContact N-O 2.84Å; Y652-F661 PolarHBondContact O-N 3.14Å; C654-F661 HydrophobicContact CB-CE2 4.45Å; K659-F661 HydrophobicContact CB-CE2 3.71Å; K659-F661 HydrophobicContact CB-CZ 4Å; K659-F661 VanDerWaalsContact O-CD2 3.3Å; K659-F661 WeakPolarHBondContact O-CD2 3.33Å; K659-F661 WeakPolarHBondContact O-CE2 3.5Å; F661-L667 HydrophobicContact CB-CB 4.41Å; F661-L667 HydrophobicContact CD2-CB 4.11Å; F661-L667 HydrophobicContact CD2-CD1 3.94Å; F661-L667 HydrophobicContact CE2-CD1 4.13Å; F661-L667 HydrophobicContact CG-CB 4.37Å; F661-H670 HydrophobicContact CE1-CB 4.21Å; F661-H670 HydrophobicContact CE2-CB 4.13Å; F661-H670 AromaticContact CE2-CD2 3.33Å; F661-H670 WeakPolarHBondContact CE2-CD2 3.48Å; F661-H670 AromaticContact CE2-CG 3.97Å; F661-H670 HydrophobicContact CZ-CB 3.68Å; F661-H670 AromaticContact CZ-CD2 3.28Å; F661-H670 WeakPolarHBondContact CZ-CD2 3.27Å; F661-H670 AromaticContact CZ-CG 3.53Å
662	S	83.7	Confident	84.9	Confident	37 Å²	37	68.3 Å²	68.3	26%	0.259	35%	0.348	S	S	.	.	S	Bend	trans	-80.3	-14	178.5	56	0	0	0	0	114.5	R644	R644-S662 PolarHBondContact NH1-O 2.81Å
663	Q	84.8	Confident	84.6	Confident	49 Å²	49	68.8 Å²	68.8	23%	0.229	36%	0.358	C	S	.	.	S	Bend	trans	-139.5	138.5	178.8	-56	178.8	33.7	0	0	111.6	V641 S665 Y666 L667	V641-Q663 HydrophobicContact CG1-CG 3.88Å; V641-Q663 VanDerWaalsContact CG1-NE2 3.34Å; Q663-S665 VanDerWaalsContact CB-OG 3.29Å; Q663-S665 WeakPolarHBondContact CB-OG 3.27Å; Q663-S665 PolarHBondContact O-N 2.92Å; Q663-S665 PolarHBondContact OE1-OG 2.96Å; Q663-Y666 HydrophobicContact CB-CD2 3.8Å; Q663-Y666 HydrophobicContact CB-CE2 4.06Å; Q663-Y666 HydrophobicContact CB-CG 4.34Å; Q663-Y666 VanDerWaalsContact CD-CE2 3.48Å; Q663-Y666 HydrophobicContact CG-CD2 4.09Å; Q663-Y666 HydrophobicContact CG-CE2 3.86Å; Q663-Y666 VanDerWaalsContact NE2-CE2 3.33Å; Q663-Y666 PolarHBondContact NE2-OH 3.4Å; Q663-Y666 PolarHBondContact O-N 3.34Å; Q663-Y666 VanDerWaalsContact O-N 3.1Å; Q663-L667 PolarHBondContact O-N 3.02Å
664	K	84.3	Confident	84.3	Confident	139 Å²	139	67.3 Å²	67.3	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-58.8	-31.5	176.1	-173.7	170.8	-178.3	171.7	0	112.8	Y652 Y666 L667 T668	Y652-K664 HydrophobicContact CD1-CB 3.99Å; Y652-K664 HydrophobicContact CD2-CB 4.49Å; Y652-K664 VanDerWaalsContact CD2-N 3.27Å; Y652-K664 HydrophobicContact CE1-CB 3.91Å; Y652-K664 HydrophobicContact CE2-CB 4.4Å; Y652-K664 VanDerWaalsContact CE2-N 3.35Å; Y652-K664 HydrophobicContact CG-CB 4.28Å; K664-Y666 VanDerWaalsContact C-N 3.34Å; K664-Y666 PolarHBondContact O-N 3.24Å; K664-L667 PolarHBondContact O-N 3.47Å; K664-T668 PolarHBondContact O-N 3.15Å; K664-T668 PolarHBondContact O-OG1 3.46Å; K664-T668 VanDerWaalsContact O-OG1 3.09Å
665	S	83.1	Confident	83.9	Confident	59 Å²	59	70.7 Å²	70.7	41%	0.413	38%	0.375	S	S	.	.	H	α-helix	trans	-56.9	-43.2	174.1	46.5	0	0	0	0	112.9	Q663 V669	Q663-S665 VanDerWaalsContact CB-OG 3.29Å; Q663-S665 WeakPolarHBondContact CB-OG 3.27Å; Q663-S665 PolarHBondContact O-N 2.92Å; Q663-S665 PolarHBondContact OE1-OG 2.96Å; S665-V669 WeakPolarHBondContact O-CB 3.44Å; S665-V669 WeakPolarHBondContact O-CG2 3.36Å; S665-V669 PolarHBondContact O-N 3.41Å; S665-V669 VanDerWaalsContact O-N 3.08Å
666	Y	85.7	Confident	83.5	Confident	118 Å²	118	65.8 Å²	65.8	46%	0.463	36%	0.359	S	S	.	.	H	α-helix	trans	-70.6	-38.6	177.3	-57.9	-35.8	0	0	0	111.5	Q663 K664 V669 H670	Q663-Y666 HydrophobicContact CB-CD2 3.8Å; Q663-Y666 HydrophobicContact CB-CE2 4.06Å; Q663-Y666 HydrophobicContact CB-CG 4.34Å; Q663-Y666 VanDerWaalsContact CD-CE2 3.48Å; Q663-Y666 HydrophobicContact CG-CD2 4.09Å; Q663-Y666 HydrophobicContact CG-CE2 3.86Å; Q663-Y666 VanDerWaalsContact NE2-CE2 3.33Å; Q663-Y666 PolarHBondContact NE2-OH 3.4Å; Q663-Y666 PolarHBondContact O-N 3.34Å; Q663-Y666 VanDerWaalsContact O-N 3.1Å; K664-Y666 VanDerWaalsContact C-N 3.34Å; K664-Y666 PolarHBondContact O-N 3.24Å; Y666-V669 PolarHBondContact O-N 3.08Å; Y666-H670 WeakPolarHBondContact O-CB 3.44Å; Y666-H670 PolarHBondContact O-N 3.13Å
667	L	86.2	Confident	83.4	Confident	16 Å²	16	64.8 Å²	64.8	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-46.6	173.7	176.4	61.7	0	0	0	112.2	E653 C654 F661 Q663 K664 V669 H670 Y671	E653-L667 WeakPolarHBondContact O-CD2 3.35Å; C654-L667 HydrophobicContact CB-CD1 3.59Å; F661-L667 HydrophobicContact CB-CB 4.41Å; F661-L667 HydrophobicContact CD2-CB 4.11Å; F661-L667 HydrophobicContact CD2-CD1 3.94Å; F661-L667 HydrophobicContact CE2-CD1 4.13Å; F661-L667 HydrophobicContact CG-CB 4.37Å; Q663-L667 PolarHBondContact O-N 3.02Å; K664-L667 PolarHBondContact O-N 3.47Å; L667-V669 VanDerWaalsContact C-N 3.29Å; L667-V669 PolarHBondContact O-N 3.22Å; L667-H670 WeakPolarHBondContact O-CB 3.38Å; L667-H670 PolarHBondContact O-N 3.06Å; L667-H670 VanDerWaalsContact O-N 3.07Å; L667-Y671 HydrophobicContact CD1-CD2 3.88Å; L667-Y671 HydrophobicContact CD1-CE2 3.45Å; L667-Y671 VanDerWaalsContact CD1-CE2 3.45Å; L667-Y671 HydrophobicContact CD2-CE2 3.88Å; L667-Y671 HydrophobicContact CG-CD2 3.85Å; L667-Y671 HydrophobicContact CG-CE2 3.48Å; L667-Y671 VanDerWaalsContact CG-CE2 3.48Å; L667-Y671 WeakPolarHBondContact O-CD2 3.26Å; L667-Y671 PolarHBondContact O-N 3.36Å
668	T	83.8	Confident	83.1	Confident	68 Å²	68	67.5 Å²	67.5	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-35.5	176.1	-57.3	0	0	0	0	112.2	K664	K664-T668 PolarHBondContact O-N 3.15Å; K664-T668 PolarHBondContact O-OG1 3.46Å; K664-T668 VanDerWaalsContact O-OG1 3.09Å
669	V	82.4	Confident	83	Confident	41 Å²	41	68.6 Å²	68.6	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-71.5	-33.2	173.1	167.9	0	0	0	0	111.7	S665 Y666 L667 R672 H691	S665-V669 WeakPolarHBondContact O-CB 3.44Å; S665-V669 WeakPolarHBondContact O-CG2 3.36Å; S665-V669 PolarHBondContact O-N 3.41Å; S665-V669 VanDerWaalsContact O-N 3.08Å; Y666-V669 PolarHBondContact O-N 3.08Å; L667-V669 VanDerWaalsContact C-N 3.29Å; L667-V669 PolarHBondContact O-N 3.22Å; V669-R672 WeakPolarHBondContact O-CB 3.27Å; V669-R672 PolarHBondContact O-N 3.06Å; V669-H691 WeakPolarHBondContact CG1-CE1 3.36Å; V669-H691 WeakPolarHBondContact CG1-ND1 3.35Å
670	H	85	Confident	82.8	Confident	22 Å²	22	65.4 Å²	65.4	10%	0.102	34%	0.344	C	S	.	.	H	α-helix	trans	-70.3	-39.4	175.4	178	34.7	0	0	0	112.9	C657 F661 Y666 L667 R672 T673 H674	C657-H670 PolarHBondContact SG-NE2 2.82Å; F661-H670 HydrophobicContact CE1-CB 4.21Å; F661-H670 HydrophobicContact CE2-CB 4.13Å; F661-H670 AromaticContact CE2-CD2 3.33Å; F661-H670 WeakPolarHBondContact CE2-CD2 3.48Å; F661-H670 AromaticContact CE2-CG 3.97Å; F661-H670 HydrophobicContact CZ-CB 3.68Å; F661-H670 AromaticContact CZ-CD2 3.28Å; F661-H670 WeakPolarHBondContact CZ-CD2 3.27Å; F661-H670 AromaticContact CZ-CG 3.53Å; Y666-H670 WeakPolarHBondContact O-CB 3.44Å; Y666-H670 PolarHBondContact O-N 3.13Å; L667-H670 WeakPolarHBondContact O-CB 3.38Å; L667-H670 PolarHBondContact O-N 3.06Å; L667-H670 VanDerWaalsContact O-N 3.07Å; H670-R672 PolarHBondContact O-N 3.39Å; H670-T673 PolarHBondContact CE1-OG1 3.21Å; H670-T673 PolarHBondContact ND1-OG1 3.15Å; H670-T673 WeakPolarHBondContact O-CB 3.48Å; H670-T673 PolarHBondContact O-N 3.31Å; H670-T673 PolarHBondContact O-OG1 3.12Å; H670-H674 AromaticContact CE1-CE1 3.73Å; H670-H674 AromaticContact CE1-NE2 3.37Å; H670-H674 PolarHBondContact CE1-NE2 3.43Å; H670-H674 AromaticContact NE2-NE2 3.33Å; H670-H674 PolarHBondContact NE2-NE2 3.01Å
671	Y	81.3	Confident	82.8	Confident	68 Å²	68	66.2 Å²	66.2	27%	0.267	34%	0.344	S	S	.	.	H	α-helix	trans	-54.9	-28.1	175.4	-82.4	-61.6	0	0	0	112.8	C654 N655 E656 L667 T673 H674 S675	C654-Y671 WeakPolarHBondContact SG-CE1 3.3Å; N655-Y671 PolarHBondContact N-OH 3.37Å; N655-Y671 VanDerWaalsContact N-OH 3.15Å; E656-Y671 HydrophobicContact CG-CE1 4.24Å; E656-Y671 WeakPolarHBondContact OE2-CD1 3.33Å; E656-Y671 WeakPolarHBondContact OE2-CE1 3.19Å; L667-Y671 HydrophobicContact CD1-CD2 3.88Å; L667-Y671 HydrophobicContact CD1-CE2 3.45Å; L667-Y671 VanDerWaalsContact CD1-CE2 3.45Å; L667-Y671 HydrophobicContact CD2-CE2 3.88Å; L667-Y671 HydrophobicContact CG-CD2 3.85Å; L667-Y671 HydrophobicContact CG-CE2 3.48Å; L667-Y671 VanDerWaalsContact CG-CE2 3.48Å; L667-Y671 WeakPolarHBondContact O-CD2 3.26Å; L667-Y671 PolarHBondContact O-N 3.36Å; Y671-T673 PolarHBondContact O-N 2.87Å; Y671-H674 PolarHBondContact O-N 2.88Å; Y671-S675 PolarHBondContact O-N 3.42Å; Y671-S675 PolarHBondContact O-OG 3.39Å
672	R	84.1	Confident	82.8	Confident	38 Å²	38	64 Å²	64	14%	0.143	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-14.8	173	-59.3	-179.6	177.8	166.2	1	115	V669 H670 H674 G676 E677 Y680 H690	V669-R672 WeakPolarHBondContact O-CB 3.27Å; V669-R672 PolarHBondContact O-N 3.06Å; H670-R672 PolarHBondContact O-N 3.39Å; R672-H674 VanDerWaalsContact C-N 3.33Å; R672-G676 CarbonylContact O-C 3.22Å; R672-G676 WeakPolarHBondContact O-CA 3.29Å; R672-G676 PolarHBondContact O-N 2.92Å; R672-G676 VanDerWaalsContact O-N 3.15Å; R672-E677 HydrophobicContact CB-CB 4.29Å; R672-E677 HydrophobicContact CG-CB 4.13Å; R672-E677 PolarHBondContact O-N 2.92Å; R672-Y680 PolarHBondContact NH1-OH 3.07Å; R672-H690 PolarHBondContact NH1-O 2.83Å; R672-H690 VanDerWaalsContact NH1-O 3.11Å
673	T	80.3	Confident	82.8	Confident	82 Å²	82	69.8 Å²	69.8	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-80.9	-18.6	171.2	68.7	0	0	0	0	112.1	H670 Y671	H670-T673 PolarHBondContact CE1-OG1 3.21Å; H670-T673 PolarHBondContact ND1-OG1 3.15Å; H670-T673 WeakPolarHBondContact O-CB 3.48Å; H670-T673 PolarHBondContact O-N 3.31Å; H670-T673 PolarHBondContact O-OG1 3.12Å; Y671-T673 PolarHBondContact O-N 2.87Å
674	H	81.8	Confident	82.6	Confident	78 Å²	78	72.5 Å²	72.5	36%	0.361	38%	0.375	S	S	.	.	H	α-helix	trans	-94.1	-46.7	174.7	-56.3	-50.8	0	0	0	111	C654 E656 C657 H670 Y671 R672 G676	C654-H674 PolarHBondContact SG-NE2 3.11Å; C654-H674 VanDerWaalsContact SG-NE2 3.39Å; E656-H674 VanDerWaalsContact OE2-CB 3.25Å; E656-H674 WeakPolarHBondContact OE2-CB 3.27Å; E656-H674 IonicContact OE2-CD2 3.84Å; E656-H674 PolarHBondContact OE2-CD2 2.74Å; E656-H674 IonicContact OE2-CG 3.5Å; C657-H674 PolarHBondContact SG-NE2 3.2Å; C657-H674 VanDerWaalsContact SG-NE2 3.39Å; H670-H674 AromaticContact CE1-CE1 3.73Å; H670-H674 AromaticContact CE1-NE2 3.37Å; H670-H674 PolarHBondContact CE1-NE2 3.43Å; H670-H674 AromaticContact NE2-NE2 3.33Å; H670-H674 PolarHBondContact NE2-NE2 3.01Å; Y671-H674 PolarHBondContact O-N 2.88Å; R672-H674 VanDerWaalsContact C-N 3.33Å; H674-G676 VanDerWaalsContact C-N 3.25Å; H674-G676 PolarHBondContact O-N 3.42Å
675	S	79	Confident	82.7	Confident	70 Å²	70	68.4 Å²	68.4	49%	0.49	36%	0.363	S	S	.	.	S	Bend	trans	-75.7	-8.1	175.7	70.2	0	0	0	0	114.7	Y671 E677	Y671-S675 PolarHBondContact O-N 3.42Å; Y671-S675 PolarHBondContact O-OG 3.39Å; S675-E677 PolarHBondContact O-N 2.84Å; S675-E677 VanDerWaalsContact O-N 3.08Å; S675-E677 WeakPolarHBondContact OG-CG 3.38Å
676	G	77.3	Confident	82.6	Confident	43 Å²	43	67.5 Å²	67.5	44%	0.443	36%	0.363	S	S	.	.			trans	69.7	-2.9	-178.4	0	0	0	0	0	115.6	R672 H674 K678 H690	R672-G676 CarbonylContact O-C 3.22Å; R672-G676 WeakPolarHBondContact O-CA 3.29Å; R672-G676 PolarHBondContact O-N 2.92Å; R672-G676 VanDerWaalsContact O-N 3.15Å; H674-G676 VanDerWaalsContact C-N 3.25Å; H674-G676 PolarHBondContact O-N 3.42Å; G676-K678 PolarHBondContact O-N 3.27Å; G676-H690 PolarHBondContact O-CE1 3.09Å
677	E	79.7	Confident	82.6	Confident	105 Å²	105	67.9 Å²	67.9	49%	0.491	37%	0.367	S	S	.	.			trans	-53	130.3	-174.9	-82	-178.6	-167.5	0	0	113.8	R672 S675 P679 H690	R672-E677 HydrophobicContact CB-CB 4.29Å; R672-E677 HydrophobicContact CG-CB 4.13Å; R672-E677 PolarHBondContact O-N 2.92Å; S675-E677 PolarHBondContact O-N 2.84Å; S675-E677 VanDerWaalsContact O-N 3.08Å; S675-E677 WeakPolarHBondContact OG-CG 3.38Å; E677-P679 HydrophobicContact CB-CG 4.21Å; E677-P679 WeakPolarHBondContact O-CD 3.12Å; E677-H690 PolarHBondContact O-ND1 2.86Å
678	K	81.6	Confident	82.5	Confident	109 Å²	109	72.3 Å²	72.3	47%	0.474	39%	0.386	S	S	.	.			trans	-121.7	73.3	173.8	-69.3	170.7	-178.7	175.5	0	111.1	G676 Y680 K688 F689 H690	G676-K678 PolarHBondContact O-N 3.27Å; K678-Y680 PolarHBondContact O-N 3.19Å; K678-K688 HydrophobicContact CB-CB 3.65Å; K678-K688 HydrophobicContact CD-CB 4.18Å; K678-K688 HydrophobicContact CG-CB 4.49Å; K678-F689 CarbonylContact C-O 3.54Å; K678-F689 WeakPolarHBondContact CA-O 3.32Å; K678-H690 WeakPolarHBondContact CE-CE1 3.33Å; K678-H690 WeakPolarHBondContact CE-NE2 3.4Å; K678-H690 VanDerWaalsContact CG-CE1 3.41Å; K678-H690 WeakPolarHBondContact CG-CE1 3.48Å; K678-H690 WeakPolarHBondContact CG-ND1 2.99Å
679	P	80.3	Confident	82.4	Confident	66 Å²	66	71.1 Å²	71.1	43%	0.429	38%	0.375	S	S	.	.			trans	-74.5	7.1	-167.7	-18.3	34.9	0	0	0	115.8	E677	E677-P679 HydrophobicContact CB-CG 4.21Å; E677-P679 WeakPolarHBondContact O-CD 3.12Å
680	Y	81.9	Confident	82	Confident	53 Å²	53	71.8 Å²	71.8	21%	0.208	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	101	-179.9	-48.7	-59.7	0	0	0	109.6	R672 K678 K688 F689 H691 R692 F695	R672-Y680 PolarHBondContact NH1-OH 3.07Å; K678-Y680 PolarHBondContact O-N 3.19Å; Y680-K688 CarbonylContact O-C 3.56Å; Y680-K688 WeakPolarHBondContact O-CA 3.49Å; Y680-F689 WeakPolarHBondContact CD2-O 3.49Å; Y680-F689 PolarHBondContact N-O 2.69Å; Y680-F689 PolarHBondContact O-N 2.82Å; Y680-H691 VanDerWaalsContact CD2-C 3.48Å; Y680-R692 HydrophobicContact CD2-CB 4.16Å; Y680-R692 HydrophobicContact CE1-CB 4.27Å; Y680-R692 HydrophobicContact CE1-CG 4.48Å; Y680-R692 HydrophobicContact CE2-CB 3.82Å; Y680-R692 VanDerWaalsContact CE2-N 3.28Å; Y680-F695 HydrophobicContact CG-CB 4.45Å
681	E	85.7	Confident	81.7	Confident	83 Å²	83	74.8 Å²	74.8	39%	0.388	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.9	-179.4	177.2	159.2	-157.7	0	0	111	N683 K688 F695	E681-N683 PolarHBondContact O-OD1 2.98Å; E681-K688 HydrophobicContact CB-CD 4.37Å; E681-K688 HydrophobicContact CB-CG 4.13Å; E681-K688 HydrophobicContact CG-CD 4.3Å; E681-K688 HydrophobicContact CG-CG 4.02Å; E681-K688 WeakPolarHBondContact OE1-CE 3.29Å; E681-K688 IonicContact OE1-NZ 2.79Å; E681-K688 PolarHBondContact OE1-NZ 3.41Å; E681-K688 WeakPolarHBondContact OE2-CE 3.33Å; E681-K688 IonicContact OE2-NZ 3.14Å; E681-K688 PolarHBondContact OE2-NZ 2.87Å; E681-F695 VanDerWaalsContact C-CE2 3.47Å; E681-F695 WeakPolarHBondContact O-CE2 3.47Å
682	C	87.4	Confident	81.7	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.398	C	S	.	.			trans	-90.2	104.5	-180	177.9	0	0	0	0	110.4	E684 C685 G686 K687 F695 H702	C682-E684 PolarHBondContact O-N 3.44Å; C682-C685 PolarHBondContact O-N 3.04Å; C682-C685 VanDerWaalsContact SG-SG 3.66Å; C682-G686 WeakPolarHBondContact O-CA 3.38Å; C682-G686 PolarHBondContact O-N 3.09Å; C682-K687 WeakPolarHBondContact CB-O 3.41Å; C682-K687 PolarHBondContact N-O 2.85Å; C682-F695 HydrophobicContact CB-CE2 4.06Å; C682-H702 VanDerWaalsContact SG-CD2 3.54Å; C682-H702 PolarHBondContact SG-NE2 3.46Å
683	N	82.9	Confident	81.5	Confident	159 Å²	159	79.5 Å²	79.5	85%	0.85	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-25.9	178	-57.6	18	0	0	0	113.3	E681	E681-N683 PolarHBondContact O-OD1 2.98Å
684	E	81.4	Confident	81.6	Confident	105 Å²	105	77.5 Å²	77.5	49%	0.491	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.5	-179.2	-60.5	150.6	123.8	0	0	113.4	C682 H702	C682-E684 PolarHBondContact O-N 3.44Å; E684-H702 IonicContact OE2-CD2 2.7Å; E684-H702 PolarHBondContact OE2-CD2 2.94Å; E684-H702 VanDerWaalsContact OE2-CD2 3.31Å
685	C	85.7	Confident	81.8	Confident	53 Å²	53	74.2 Å²	74.2	36%	0.358	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.8	17	-179.5	72	0	0	0	0	116.9	C682 K687 H698 H702	C682-C685 PolarHBondContact O-N 3.04Å; C682-C685 VanDerWaalsContact SG-SG 3.66Å; C685-K687 PolarHBondContact O-N 3.36Å; C685-H698 PolarHBondContact SG-NE2 3.21Å; C685-H702 PolarHBondContact SG-NE2 3.29Å; C685-H702 VanDerWaalsContact SG-NE2 3.37Å
686	G	81.2	Confident	82.1	Confident	40 Å²	40	74.3 Å²	74.3	41%	0.412	39%	0.39	S	S	.	.			trans	67.7	-5.2	177.9	0	0	0	0	0	116.8	C682 K688	C682-G686 WeakPolarHBondContact O-CA 3.38Å; C682-G686 PolarHBondContact O-N 3.09Å; G686-K688 VanDerWaalsContact O-CG 3.31Å; G686-K688 WeakPolarHBondContact O-CG 3.46Å; G686-K688 PolarHBondContact O-N 3.25Å
687	K	84.7	Confident	82.4	Confident	127 Å²	127	74.7 Å²	74.7	55%	0.552	39%	0.386	S	S	*	.			trans	-67.2	125.4	-175.7	-70.6	179.3	-177.9	175.1	0	111.3	C682 C685 F689	C682-K687 WeakPolarHBondContact CB-O 3.41Å; C682-K687 PolarHBondContact N-O 2.85Å; C685-K687 PolarHBondContact O-N 3.36Å; K687-F689 HydrophobicContact CB-CE2 3.69Å; K687-F689 HydrophobicContact CB-CZ 3.92Å; K687-F689 WeakPolarHBondContact O-CD2 3.48Å; K687-F689 VanDerWaalsContact O-CE2 3.23Å; K687-F689 WeakPolarHBondContact O-CE2 3.31Å
688	K	84.7	Confident	82.7	Confident	108 Å²	108	70.6 Å²	70.6	47%	0.47	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.6	-177	-39.9	-162.5	-167.7	-143.1	0	111.8	K678 Y680 E681 G686	K678-K688 HydrophobicContact CB-CB 3.65Å; K678-K688 HydrophobicContact CD-CB 4.18Å; K678-K688 HydrophobicContact CG-CB 4.49Å; Y680-K688 CarbonylContact O-C 3.56Å; Y680-K688 WeakPolarHBondContact O-CA 3.49Å; E681-K688 HydrophobicContact CB-CD 4.37Å; E681-K688 HydrophobicContact CB-CG 4.13Å; E681-K688 HydrophobicContact CG-CD 4.3Å; E681-K688 HydrophobicContact CG-CG 4.02Å; E681-K688 WeakPolarHBondContact OE1-CE 3.29Å; E681-K688 IonicContact OE1-NZ 2.79Å; E681-K688 PolarHBondContact OE1-NZ 3.41Å; E681-K688 WeakPolarHBondContact OE2-CE 3.33Å; E681-K688 IonicContact OE2-NZ 3.14Å; E681-K688 PolarHBondContact OE2-NZ 2.87Å; G686-K688 VanDerWaalsContact O-CG 3.31Å; G686-K688 WeakPolarHBondContact O-CG 3.46Å; G686-K688 PolarHBondContact O-N 3.25Å
689	F	81.7	Confident	82.6	Confident	44 Å²	44	68.5 Å²	68.5	19%	0.193	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.4	-171.4	-59.7	-96	0	0	0	112.4	K678 Y680 K687 A694 F695 H698	K678-F689 CarbonylContact C-O 3.54Å; K678-F689 WeakPolarHBondContact CA-O 3.32Å; Y680-F689 WeakPolarHBondContact CD2-O 3.49Å; Y680-F689 PolarHBondContact N-O 2.69Å; Y680-F689 PolarHBondContact O-N 2.82Å; K687-F689 HydrophobicContact CB-CE2 3.69Å; K687-F689 HydrophobicContact CB-CZ 3.92Å; K687-F689 WeakPolarHBondContact O-CD2 3.48Å; K687-F689 VanDerWaalsContact O-CE2 3.23Å; K687-F689 WeakPolarHBondContact O-CE2 3.31Å; F689-A694 HydrophobicContact CD1-CB 3.96Å; F689-F695 HydrophobicContact CB-CB 4.19Å; F689-F695 HydrophobicContact CD2-CB 4.25Å; F689-F695 AromaticContact CD2-CD2 3.89Å; F689-F695 HydrophobicContact CD2-CD2 3.89Å; F689-F695 HydrophobicContact CE2-CD2 4.39Å; F689-F695 HydrophobicContact CG-CB 4.29Å; F689-H698 HydrophobicContact CE1-CB 4.07Å; F689-H698 HydrophobicContact CE2-CB 4.1Å; F689-H698 AromaticContact CE2-CD2 3.36Å; F689-H698 WeakPolarHBondContact CE2-CD2 3.37Å; F689-H698 AromaticContact CE2-CG 3.86Å; F689-H698 HydrophobicContact CZ-CB 3.56Å; F689-H698 AromaticContact CZ-CD2 3.35Å; F689-H698 WeakPolarHBondContact CZ-CD2 3.33Å; F689-H698 AromaticContact CZ-CG 3.38Å
690	H	74.1	Confident	82.8	Confident	54 Å²	54	73 Å²	73	25%	0.25	37%	0.367	C	S	.	.	S	Bend	trans	-72.5	-31.6	174	-56.4	-76.8	0	0	0	113	R672 G676 E677 K678	R672-H690 PolarHBondContact NH1-O 2.83Å; R672-H690 VanDerWaalsContact NH1-O 3.11Å; G676-H690 PolarHBondContact O-CE1 3.09Å; E677-H690 PolarHBondContact O-ND1 2.86Å; K678-H690 WeakPolarHBondContact CE-CE1 3.33Å; K678-H690 WeakPolarHBondContact CE-NE2 3.4Å; K678-H690 VanDerWaalsContact CG-CE1 3.41Å; K678-H690 WeakPolarHBondContact CG-CE1 3.48Å; K678-H690 WeakPolarHBondContact CG-ND1 2.99Å
691	H	78.3	Confident	82.8	Confident	85 Å²	85	75.7 Å²	75.7	39%	0.394	38%	0.384	S	S	.	.			trans	-113.3	134.8	-173.9	-58.9	-98.3	0	0	0	112.6	V669 Y680 S693 A694 F695	V669-H691 WeakPolarHBondContact CG1-CE1 3.36Å; V669-H691 WeakPolarHBondContact CG1-ND1 3.35Å; Y680-H691 VanDerWaalsContact CD2-C 3.48Å; H691-S693 VanDerWaalsContact C-N 3.27Å; H691-S693 PolarHBondContact O-N 2.69Å; H691-A694 HydrophobicContact CB-CB 4.15Å; H691-A694 PolarHBondContact O-N 3.33Å; H691-F695 PolarHBondContact O-N 3.08Å; H691-F695 VanDerWaalsContact O-N 3.09Å
692	R	81.1	Confident	82.4	Confident	124 Å²	124	73.8 Å²	73.8	47%	0.468	38%	0.375	S	S	.	.	H	α-helix	trans	-66.8	-27.9	175.7	-168.1	68	-166.4	-148.8	1.7	112.8	Y680 F695 N696	Y680-R692 HydrophobicContact CD2-CB 4.16Å; Y680-R692 HydrophobicContact CE1-CB 4.27Å; Y680-R692 HydrophobicContact CE1-CG 4.48Å; Y680-R692 HydrophobicContact CE2-CB 3.82Å; Y680-R692 VanDerWaalsContact CE2-N 3.28Å; R692-F695 VanDerWaalsContact CZ-CE1 3.46Å; R692-N696 PolarHBondContact NE-OD1 2.91Å; R692-N696 VanDerWaalsContact O-CB 3.29Å; R692-N696 WeakPolarHBondContact O-CB 3.23Å; R692-N696 PolarHBondContact O-N 3.16Å; R692-N696 PolarHBondContact O-OD1 3.13Å
693	S	81.6	Confident	81.4	Confident	81 Å²	81	83.7 Å²	83.7	57%	0.566	41%	0.413	S	S	*	.	H	α-helix	trans	-67.1	-41.4	174.2	48.1	0	0	0	0	112.8	H691 S697	H691-S693 VanDerWaalsContact C-N 3.27Å; H691-S693 PolarHBondContact O-N 2.69Å; S693-S697 WeakPolarHBondContact O-CB 3.45Å; S693-S697 PolarHBondContact O-N 3.02Å; S693-S697 VanDerWaalsContact O-N 3.08Å; S693-S697 PolarHBondContact O-OG 3.08Å
694	A	82.5	Confident	80.4	Confident	40 Å²	40	85.6 Å²	85.6	33%	0.331	41%	0.408	S	S	.	.	H	α-helix	trans	-65	-47.7	173.7	0	0	0	0	0	110.5	F689 H691 S697 H698	F689-A694 HydrophobicContact CD1-CB 3.96Å; H691-A694 HydrophobicContact CB-CB 4.15Å; H691-A694 PolarHBondContact O-N 3.33Å; A694-S697 WeakPolarHBondContact O-CB 3.38Å; A694-S697 PolarHBondContact O-N 2.91Å; A694-S697 VanDerWaalsContact O-N 3.09Å; A694-H698 PolarHBondContact O-N 2.99Å
695	F	85.6	Confident	79.2	Confident	9 Å²	9	82.3 Å²	82.3	4%	0.039	40%	0.402	C	S	.	.	H	α-helix	trans	-55.6	-54	174.7	176.5	-100.3	0	0	0	113.3	Y680 E681 C682 F689 H691 R692 S697 H698 Q699	Y680-F695 HydrophobicContact CG-CB 4.45Å; E681-F695 VanDerWaalsContact C-CE2 3.47Å; E681-F695 WeakPolarHBondContact O-CE2 3.47Å; C682-F695 HydrophobicContact CB-CE2 4.06Å; F689-F695 HydrophobicContact CB-CB 4.19Å; F689-F695 HydrophobicContact CD2-CB 4.25Å; F689-F695 AromaticContact CD2-CD2 3.89Å; F689-F695 HydrophobicContact CD2-CD2 3.89Å; F689-F695 HydrophobicContact CE2-CD2 4.39Å; F689-F695 HydrophobicContact CG-CB 4.29Å; H691-F695 PolarHBondContact O-N 3.08Å; H691-F695 VanDerWaalsContact O-N 3.09Å; R692-F695 VanDerWaalsContact CZ-CE1 3.46Å; F695-S697 PolarHBondContact O-N 2.99Å; F695-S697 VanDerWaalsContact O-N 3.16Å; F695-H698 WeakPolarHBondContact O-CB 3.49Å; F695-H698 PolarHBondContact O-N 3.37Å; F695-H698 VanDerWaalsContact O-N 3.08Å; F695-Q699 HydrophobicContact CD1-CG 4.45Å; F695-Q699 HydrophobicContact CE1-CG 4Å; F695-Q699 HydrophobicContact CE2-CG 4.16Å; F695-Q699 HydrophobicContact CZ-CG 3.85Å; F695-Q699 PolarHBondContact O-N 3.5Å
696	N	83.8	Confident	77.7	Confident	73 Å²	73	85.4 Å²	85.4	39%	0.39	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-21.2	177.2	-71.4	8.4	0	0	0	112.7	R692 R700	R692-N696 PolarHBondContact NE-OD1 2.91Å; R692-N696 VanDerWaalsContact O-CB 3.29Å; R692-N696 WeakPolarHBondContact O-CB 3.23Å; R692-N696 PolarHBondContact O-N 3.16Å; R692-N696 PolarHBondContact O-OD1 3.13Å; N696-R700 WeakPolarHBondContact O-CG 3.16Å; N696-R700 PolarHBondContact O-NE 2.75Å; N696-R700 VanDerWaalsContact O-NE 3.13Å
697	S	83.9	Confident	76.3	Confident	51 Å²	51	90.3 Å²	90.3	36%	0.357	43%	0.429	S	S	.	.	H	α-helix	trans	-84	-35	174.5	-57.3	0	0	0	0	111.7	S693 A694 F695 R700	S693-S697 WeakPolarHBondContact O-CB 3.45Å; S693-S697 PolarHBondContact O-N 3.02Å; S693-S697 VanDerWaalsContact O-N 3.08Å; S693-S697 PolarHBondContact O-OG 3.08Å; A694-S697 WeakPolarHBondContact O-CB 3.38Å; A694-S697 PolarHBondContact O-N 2.91Å; A694-S697 VanDerWaalsContact O-N 3.09Å; F695-S697 PolarHBondContact O-N 2.99Å; F695-S697 VanDerWaalsContact O-N 3.16Å; S697-R700 PolarHBondContact O-N 2.87Å; S697-R700 PolarHBondContact OG-NH2 3.32Å
698	H	85.6	Confident	74.5	Confident	19 Å²	19	90.6 Å²	90.6	9%	0.088	44%	0.436	C	S	.	.	H	α-helix	trans	-68	-43	172.5	174.6	55.4	0	0	0	112.7	C685 F689 A694 F695 R700 I701 H702	C685-H698 PolarHBondContact SG-NE2 3.21Å; F689-H698 HydrophobicContact CE1-CB 4.07Å; F689-H698 HydrophobicContact CE2-CB 4.1Å; F689-H698 AromaticContact CE2-CD2 3.36Å; F689-H698 WeakPolarHBondContact CE2-CD2 3.37Å; F689-H698 AromaticContact CE2-CG 3.86Å; F689-H698 HydrophobicContact CZ-CB 3.56Å; F689-H698 AromaticContact CZ-CD2 3.35Å; F689-H698 WeakPolarHBondContact CZ-CD2 3.33Å; F689-H698 AromaticContact CZ-CG 3.38Å; A694-H698 PolarHBondContact O-N 2.99Å; F695-H698 WeakPolarHBondContact O-CB 3.49Å; F695-H698 PolarHBondContact O-N 3.37Å; F695-H698 VanDerWaalsContact O-N 3.08Å; H698-R700 PolarHBondContact O-N 3.15Å; H698-I701 WeakPolarHBondContact O-CA 3.5Å; H698-I701 VanDerWaalsContact O-CB 3.23Å; H698-I701 WeakPolarHBondContact O-CB 3.23Å; H698-I701 WeakPolarHBondContact O-CG1 3.42Å; H698-I701 PolarHBondContact O-N 3.29Å; H698-H702 AromaticContact CE1-CE1 3.71Å; H698-H702 AromaticContact CE1-NE2 3.29Å; H698-H702 PolarHBondContact CE1-NE2 3.18Å; H698-H702 VanDerWaalsContact CE1-NE2 3.29Å; H698-H702 AromaticContact NE2-CE1 3.96Å; H698-H702 AromaticContact NE2-NE2 3.15Å; H698-H702 PolarHBondContact NE2-NE2 3.46Å; H698-H702 VanDerWaalsContact NE2-NE2 3.15Å
699	Q	80.8	Confident	72.9	Confident	65 Å²	65	90.3 Å²	90.3	30%	0.304	44%	0.444	S	S	.	.	H	α-helix	trans	-59.9	-26.6	173.7	-68.5	-164.2	-71.2	0	0	113.3	F695 I701 H702 R703	F695-Q699 HydrophobicContact CD1-CG 4.45Å; F695-Q699 HydrophobicContact CE1-CG 4Å; F695-Q699 HydrophobicContact CE2-CG 4.16Å; F695-Q699 HydrophobicContact CZ-CG 3.85Å; F695-Q699 PolarHBondContact O-N 3.5Å; Q699-I701 PolarHBondContact O-N 3.4Å; Q699-H702 PolarHBondContact O-N 2.88Å; Q699-R703 PolarHBondContact O-N 3.14Å
700	R	83.1	Confident	71.4	Confident	161 Å²	161	95 Å²	95	61%	0.608	47%	0.47	S	S	*	.	H	α-helix	trans	-72	-14.1	173.3	-74.5	-178.3	-69.5	158	2.2	113.4	N696 S697 H698 R704	N696-R700 WeakPolarHBondContact O-CG 3.16Å; N696-R700 PolarHBondContact O-NE 2.75Å; N696-R700 VanDerWaalsContact O-NE 3.13Å; S697-R700 PolarHBondContact O-N 2.87Å; S697-R700 PolarHBondContact OG-NH2 3.32Å; H698-R700 PolarHBondContact O-N 3.15Å; R700-R704 PolarHBondContact O-N 3.37Å
701	I	82.4	Confident	70.1	Confident	108 Å²	108	99.5 Å²	99.5	55%	0.554	50%	0.496	S	S	*	.	H	α-helix	trans	-75.9	-48.5	172	-54.1	176	0	0	0	109.4	H698 Q699 R703 R704 G705	H698-I701 WeakPolarHBondContact O-CA 3.5Å; H698-I701 VanDerWaalsContact O-CB 3.23Å; H698-I701 WeakPolarHBondContact O-CB 3.23Å; H698-I701 WeakPolarHBondContact O-CG1 3.42Å; H698-I701 PolarHBondContact O-N 3.29Å; Q699-I701 PolarHBondContact O-N 3.4Å; I701-R703 PolarHBondContact O-N 3.07Å; I701-R704 CarbonylContact O-C 3.58Å; I701-R704 WeakPolarHBondContact O-CA 3.49Å; I701-R704 WeakPolarHBondContact O-CB 3.42Å; I701-R704 PolarHBondContact O-N 3.12Å; I701-G705 PolarHBondContact O-N 3.31Å
702	H	78.1	Confident	68.9	Low	44 Å²	44	101.1 Å²	101.1	20%	0.204	51%	0.512	C	S	.	.	H	α-helix	trans	-61.5	-43.4	177.6	-59.1	-45.3	0	0	0	112.2	C682 E684 C685 H698 Q699 R704 G705 N706	C682-H702 VanDerWaalsContact SG-CD2 3.54Å; C682-H702 PolarHBondContact SG-NE2 3.46Å; E684-H702 IonicContact OE2-CD2 2.7Å; E684-H702 PolarHBondContact OE2-CD2 2.94Å; E684-H702 VanDerWaalsContact OE2-CD2 3.31Å; C685-H702 PolarHBondContact SG-NE2 3.29Å; C685-H702 VanDerWaalsContact SG-NE2 3.37Å; H698-H702 AromaticContact CE1-CE1 3.71Å; H698-H702 AromaticContact CE1-NE2 3.29Å; H698-H702 PolarHBondContact CE1-NE2 3.18Å; H698-H702 VanDerWaalsContact CE1-NE2 3.29Å; H698-H702 AromaticContact NE2-CE1 3.96Å; H698-H702 AromaticContact NE2-NE2 3.15Å; H698-H702 PolarHBondContact NE2-NE2 3.46Å; H698-H702 VanDerWaalsContact NE2-NE2 3.15Å; Q699-H702 PolarHBondContact O-N 2.88Å; H702-R704 PolarHBondContact O-N 2.85Å; H702-R704 VanDerWaalsContact O-N 3.14Å; H702-G705 PolarHBondContact O-N 3.43Å; H702-G705 VanDerWaalsContact O-N 3.12Å; H702-N706 PolarHBondContact O-N 3.14Å; H702-N706 VanDerWaalsContact O-N 3.07Å
703	R	66.6	Low	67.2	Low	208 Å²	208	104 Å²	104	79%	0.785	53%	0.53	S	S	*	.	H	α-helix	trans	-59.2	-21.5	170.5	-84.9	-167	173.5	-157	-2.7	114.9	Q699 I701	Q699-R703 PolarHBondContact O-N 3.14Å; I701-R703 PolarHBondContact O-N 3.07Å
704	R	62.4	Low	65.7	Low	199 Å²	199	105.2 Å²	105.2	75%	0.751	54%	0.539	S	S	*	.	H	α-helix	trans	-89.4	-37.1	172.6	-109.7	-178.6	171.7	-176.9	-4.7	112.1	R700 I701 H702 N706 M707	R700-R704 PolarHBondContact O-N 3.37Å; I701-R704 CarbonylContact O-C 3.58Å; I701-R704 WeakPolarHBondContact O-CA 3.49Å; I701-R704 WeakPolarHBondContact O-CB 3.42Å; I701-R704 PolarHBondContact O-N 3.12Å; H702-R704 PolarHBondContact O-N 2.85Å; H702-R704 VanDerWaalsContact O-N 3.14Å; R704-N706 PolarHBondContact O-N 3.25Å; R704-M707 PolarHBondContact O-N 3.49Å
705	G	56	Low	63.6	Low	36 Å²	36	115 Å²	115	37%	0.371	58%	0.584	S	S	.	*	H	α-helix	trans	-56.8	-48.7	175	0	0	0	0	0	112.1	I701 H702 M707 N708	I701-G705 PolarHBondContact O-N 3.31Å; H702-G705 PolarHBondContact O-N 3.43Å; H702-G705 VanDerWaalsContact O-N 3.12Å; G705-M707 PolarHBondContact O-N 2.98Å; G705-M707 VanDerWaalsContact O-N 3.13Å; G705-N708 PolarHBondContact O-N 3.13Å
706	N	53	Low	62.5	Low	117 Å²	117	120.3 Å²	120.3	63%	0.626	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-14.5	-179.2	-75	22.6	0	0	0	114.7	H702 R704	H702-N706 PolarHBondContact O-N 3.14Å; H702-N706 VanDerWaalsContact O-N 3.07Å; R704-N706 PolarHBondContact O-N 3.25Å
707	M	51.8	Low	61.3	Low	144 Å²	144	122.8 Å²	122.8	71%	0.709	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-25.7	170.7	-80.7	-168.4	68.5	0	0	112.8	R704 G705	R704-M707 PolarHBondContact O-N 3.49Å; G705-M707 PolarHBondContact O-N 2.98Å; G705-M707 VanDerWaalsContact O-N 3.13Å
708	N	48.4	Very low	60.1	Low	132 Å²	132	126.8 Å²	126.8	71%	0.706	64%	0.638	S	S	*	*	S	Bend	trans	-91.5	-0.8	-174.5	-72	26.2	0	0	0	113.6	G705	G705-N708 PolarHBondContact O-N 3.13Å
709	V	50.7	Low	58.6	Low	103 Å²	103	133.1 Å²	133.1	62%	0.624	67%	0.67	S	S	*	*	S	Bend	trans	-102.4	-19.9	-179	-179.7	0	0	0	0	112	D711	V709-D711 VanDerWaalsContact C-N 3.33Å; V709-D711 PolarHBondContact O-N 3.41Å
710	L	48.9	Very low	57.2	Low	143 Å²	143	137.4 Å²	137.4	75%	0.749	69%	0.693	S	S	*	*	S	Bend	trans	-88.1	8.8	-173.7	-64.9	174.5	0	0	0	114.6
711	D	47.7	Very low	55.5	Low	147 Å²	147	135.8 Å²	135.8	79%	0.786	70%	0.699	S	S	*	*	S	Bend	trans	-129.1	25.9	-166.6	-149	25.2	0	0	0	112.5	V709	V709-D711 VanDerWaalsContact C-N 3.33Å; V709-D711 PolarHBondContact O-N 3.41Å
712	V	52.1	Low	53.6	Low	120 Å²	120	137.8 Å²	137.8	73%	0.727	71%	0.709	S	S	*	*	S	Bend	trans	-133.6	-23.4	-178.2	-172.6	0	0	0	0	113.3	S714	V712-S714 PolarHBondContact O-N 3.48Å
713	E	46.9	Very low	51.7	Low	183 Å²	183	145 Å²	145	86%	0.855	75%	0.748	S	S	*	*	S	Bend	trans	-99.4	41.4	178.4	-62.2	-171.4	145.7	0	0	112.3
714	S	48.5	Very low	50.4	Low	108 Å²	108	139.8 Å²	139.8	76%	0.755	75%	0.745	S	S	*	*			trans	-153.2	46.9	-177.2	-69.1	0	0	0	0	113.7	V712	V712-S714 PolarHBondContact O-N 3.48Å
715	L	38.8	Very low	49.3	Very low	245 Å²	245	134.4 Å²	134.4	100%	1.283	75%	0.745	S	S	*	*			trans	-142.9	0	167.8	-101.2	170.2	0	0	0	110.6

Retrieved 715 of 715 residues in 185.8 ms (Link to these results)

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