A0A087WT67_HUMAN Loading...

Zinc finger protein 195

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WT67, Species HUMAN (Homo sapiens, Human), Gene ZNF195, Length 633 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	28.2	Very low	40.3	Very low	248 Å²	248	116.9 Å²	116.9	100%	1.222	68%	0.677	S	S	*	*				0	110.8	0	-67.2	-177	-155.7	0	0	107.6	G3	M1-G3 PolarHBondContact O-N 2.99Å
2	A	28.1	Very low	41.2	Very low	106 Å²	106	114.3 Å²	114.3	88%	0.876	66%	0.658	S	S	*	*			trans	-70.6	118.5	173.6	0	0	0	0	0	108.4	A4	A2-A4 PolarHBondContact O-N 2.99Å
3	G	28.8	Very low	42	Very low	69 Å²	69	107.5 Å²	107.5	71%	0.711	62%	0.62	S	S	*	*			trans	-74.2	121.3	167.2	0	0	0	0	0	108.3	M1 Q5	M1-G3 PolarHBondContact O-N 2.99Å; G3-Q5 PolarHBondContact O-N 3.42Å; G3-Q5 VanDerWaalsContact O-N 3.11Å
4	A	31.8	Very low	42.8	Very low	100 Å²	100	101.2 Å²	101.2	83%	0.826	59%	0.587	S	S	*	*			trans	-57.7	115.4	171.1	0	0	0	0	0	108.9	A2 T6	A2-A4 PolarHBondContact O-N 2.99Å; A4-T6 PolarHBondContact O-N 3.06Å
5	Q	36.3	Very low	44	Very low	180 Å²	180	98.5 Å²	98.5	84%	0.841	57%	0.568	S	S	*	*			trans	-67.8	109.5	166.3	-81.3	176.1	-10.5	0	0	107.5	G3 L7	G3-Q5 PolarHBondContact O-N 3.42Å; G3-Q5 VanDerWaalsContact O-N 3.11Å; Q5-L7 PolarHBondContact O-N 2.82Å
6	T	36.9	Very low	44.7	Very low	140 Å²	140	98.4 Å²	98.4	86%	0.859	56%	0.561	S	S	*	*			trans	-65.2	104.3	167.6	12.2	0	0	0	0	108.3	A4 L8	A4-T6 PolarHBondContact O-N 3.06Å; T6-L8 PolarHBondContact O-N 3.18Å
7	L	45.9	Very low	45.3	Very low	123 Å²	123	95.7 Å²	95.7	64%	0.644	54%	0.542	S	S	*	.			trans	-73.8	118	178.8	-152.3	84.5	0	0	0	109	Q5 T9 L49	Q5-L7 PolarHBondContact O-N 2.82Å; L7-T9 PolarHBondContact O-N 2.81Å; L7-L49 HydrophobicContact CD1-CD2 3.79Å; L7-L49 HydrophobicContact CD2-CD2 4.47Å; L7-L49 HydrophobicContact CG-CD2 3.92Å
8	L	48.1	Very low	45.9	Very low	69 Å²	69	92.7 Å²	92.7	36%	0.361	53%	0.528	S	S	.	.			trans	-65	128	174.8	-98.8	135.7	0	0	0	110.3	T6 D12 L49	T6-L8 PolarHBondContact O-N 3.18Å; L8-D12 HydrophobicContact CD2-CB 4.36Å; L8-L49 HydrophobicContact CB-CD1 4.24Å
9	T	52.9	Low	46	Very low	63 Å²	63	90.7 Å²	90.7	39%	0.387	52%	0.515	S	S	.	.			trans	-108.2	160.6	177.8	72.6	0	0	0	0	111.3	L7 R11 D12	L7-T9 PolarHBondContact O-N 2.81Å; T9-R11 PolarHBondContact O-N 3.17Å; T9-R11 VanDerWaalsContact O-N 3.17Å; T9-D12 WeakPolarHBondContact CA-OD2 3.27Å; T9-D12 WeakPolarHBondContact CB-OD2 3.39Å; T9-D12 PolarHBondContact N-OD2 2.99Å; T9-D12 WeakPolarHBondContact O-CB 3.3Å; T9-D12 PolarHBondContact O-N 3.33Å; T9-D12 PolarHBondContact OG1-OD2 2.98Å
10	F	53.3	Low	46.1	Very low	8 Å²	8	92.5 Å²	92.5	4%	0.035	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-59.3	-28.4	176.1	-177.2	-100.9	0	0	0	112.4	D12 V13 A14 Y41 L44 V51 P54 L56 I57	F10-D12 PolarHBondContact O-N 3.45Å; F10-V13 HydrophobicContact CD2-CG2 3.97Å; F10-V13 HydrophobicContact CE2-CG2 4.22Å; F10-V13 VanDerWaalsContact O-CG2 3.29Å; F10-V13 WeakPolarHBondContact O-CG2 3.37Å; F10-V13 PolarHBondContact O-N 3.39Å; F10-V13 VanDerWaalsContact O-N 3.15Å; F10-A14 HydrophobicContact CD1-CB 3.91Å; F10-A14 HydrophobicContact CE1-CB 3.57Å; F10-A14 HydrophobicContact CZ-CB 4.05Å; F10-A14 VanDerWaalsContact O-CB 3.27Å; F10-A14 WeakPolarHBondContact O-CB 3.42Å; F10-A14 PolarHBondContact O-N 2.93Å; F10-Y41 AromaticContact CD2-CD2 3.97Å; F10-Y41 HydrophobicContact CD2-CD2 3.97Å; F10-Y41 HydrophobicContact CE2-CD2 4.35Å; F10-Y41 HydrophobicContact CG-CD2 4.49Å; F10-L44 HydrophobicContact CB-CD1 4.35Å; F10-L44 HydrophobicContact CD2-CD1 3.93Å; F10-V51 HydrophobicContact CB-CG1 4.16Å; F10-P54 HydrophobicContact CB-CG 3.75Å; F10-P54 HydrophobicContact CD1-CB 3.87Å; F10-P54 HydrophobicContact CD1-CG 3.5Å; F10-P54 HydrophobicContact CE1-CB 4.4Å; F10-P54 HydrophobicContact CE1-CG 4.32Å; F10-P54 HydrophobicContact CG-CG 3.71Å; F10-L56 HydrophobicContact CE1-CD2 4.38Å; F10-I57 HydrophobicContact CD1-CG1 4.34Å; F10-I57 HydrophobicContact CE1-CD1 3.75Å; F10-I57 HydrophobicContact CE1-CG1 3.72Å; F10-I57 HydrophobicContact CE2-CD1 3.77Å; F10-I57 HydrophobicContact CE2-CG1 4.05Å; F10-I57 HydrophobicContact CZ-CD1 3.19Å; F10-I57 HydrophobicContact CZ-CG1 3.6Å
11	R	53.6	Low	46.2	Very low	180 Å²	180	90.9 Å²	90.9	68%	0.679	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-63.7	-25.1	177.6	-160.2	176.4	-172.1	-176.3	-0.2	112.9	T9 V13	T9-R11 PolarHBondContact O-N 3.17Å; T9-R11 VanDerWaalsContact O-N 3.17Å; R11-V13 VanDerWaalsContact C-N 3.29Å
12	D	51	Low	47.7	Very low	85 Å²	85	79.2 Å²	79.2	46%	0.455	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-77.7	-18	179.7	-56.4	-52.7	0	0	0	112.7	L8 T9 F10	L8-D12 HydrophobicContact CD2-CB 4.36Å; T9-D12 WeakPolarHBondContact CA-OD2 3.27Å; T9-D12 WeakPolarHBondContact CB-OD2 3.39Å; T9-D12 PolarHBondContact N-OD2 2.99Å; T9-D12 WeakPolarHBondContact O-CB 3.3Å; T9-D12 PolarHBondContact O-N 3.33Å; T9-D12 PolarHBondContact OG1-OD2 2.98Å; F10-D12 PolarHBondContact O-N 3.45Å
13	V	51.8	Low	49.2	Very low	27 Å²	27	81.2 Å²	81.2	16%	0.164	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-8.1	179.4	-55.5	0	0	0	0	113.6	F10 R11 L44 F142	F10-V13 HydrophobicContact CD2-CG2 3.97Å; F10-V13 HydrophobicContact CE2-CG2 4.22Å; F10-V13 VanDerWaalsContact O-CG2 3.29Å; F10-V13 WeakPolarHBondContact O-CG2 3.37Å; F10-V13 PolarHBondContact O-N 3.39Å; F10-V13 VanDerWaalsContact O-N 3.15Å; R11-V13 VanDerWaalsContact C-N 3.29Å; V13-L44 HydrophobicContact CB-CD1 4.46Å; V13-L44 HydrophobicContact CG1-CD1 4.36Å; V13-L44 HydrophobicContact CG2-CD1 3.3Å; V13-L44 HydrophobicContact CG2-CG 4.33Å; V13-F142 HydrophobicContact CG1-CD1 4.42Å; V13-F142 HydrophobicContact CG1-CE1 4.25Å
14	A	53.2	Low	50.1	Low	19 Å²	19	82.7 Å²	82.7	16%	0.157	44%	0.437	C	S	.	.			trans	-80.3	139.1	176.1	0	0	0	0	0	110.6	F10 L56	F10-A14 HydrophobicContact CD1-CB 3.91Å; F10-A14 HydrophobicContact CE1-CB 3.57Å; F10-A14 HydrophobicContact CZ-CB 4.05Å; F10-A14 VanDerWaalsContact O-CB 3.27Å; F10-A14 WeakPolarHBondContact O-CB 3.42Å; F10-A14 PolarHBondContact O-N 2.93Å; A14-L56 HydrophobicContact CB-CD2 4.46Å
15	I	60.1	Low	51	Low	60 Å²	60	78.5 Å²	78.5	31%	0.308	40%	0.401	S	S	.	.			trans	-109.3	108.7	174.8	-65.2	172.6	0	0	0	106.9	Y33 M37 F149	I15-Y33 HydrophobicContact CB-CE2 4.38Å; I15-Y33 WeakPolarHBondContact O-CE2 3.37Å; I15-Y33 PolarHBondContact O-OH 3.47Å; I15-M37 HydrophobicContact CB-CE 4.11Å; I15-M37 HydrophobicContact CD1-CE 4.22Å; I15-M37 HydrophobicContact CG1-CE 4.18Å; I15-F149 HydrophobicContact CD1-CD1 3.27Å; I15-F149 HydrophobicContact CD1-CE1 3.19Å; I15-F149 HydrophobicContact CD1-CG 4.29Å; I15-F149 HydrophobicContact CD1-CZ 4.14Å
16	E	55.8	Low	51.6	Low	97 Å²	97	73.6 Å²	73.6	45%	0.453	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-85.9	131	179.7	-67	-179.3	-163.8	0	0	110.6	K70	E16-K70 IonicContact OE2-NZ 2.58Å; E16-K70 PolarHBondContact OE2-NZ 3.42Å
17	F	54.3	Low	52.2	Low	53 Å²	53	72.8 Å²	72.8	23%	0.232	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-101.3	142.5	170.8	-76.2	-71.1	0	0	0	111.1	E21 W22 L25 Y33	F17-E21 HydrophobicContact CB-CB 4.47Å; F17-E21 HydrophobicContact CD1-CB 3.93Å; F17-W22 HydrophobicContact CB-CB 4.43Å; F17-W22 HydrophobicContact CB-CE3 4.04Å; F17-W22 AromaticContact CD2-CE3 3.81Å; F17-W22 HydrophobicContact CD2-CE3 3.81Å; F17-W22 AromaticContact CD2-CZ3 3.94Å; F17-W22 HydrophobicContact CD2-CZ3 3.94Å; F17-W22 HydrophobicContact CG-CE3 4.17Å; F17-L25 HydrophobicContact CD2-CD1 4.22Å; F17-L25 HydrophobicContact CE1-CD1 4.26Å; F17-L25 HydrophobicContact CE2-CD1 3.93Å; F17-L25 HydrophobicContact CG-CD1 4.5Å; F17-L25 HydrophobicContact CZ-CD1 3.96Å; F17-Y33 AromaticContact CD2-CD2 3.91Å; F17-Y33 HydrophobicContact CD2-CD2 3.91Å; F17-Y33 AromaticContact CD2-CE2 3.67Å; F17-Y33 HydrophobicContact CD2-CE2 3.67Å; F17-Y33 HydrophobicContact CD2-CG 4.44Å; F17-Y33 AromaticContact CE2-CD2 3.41Å; F17-Y33 HydrophobicContact CE2-CD2 3.41Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.41Å; F17-Y33 AromaticContact CE2-CE2 3.58Å; F17-Y33 HydrophobicContact CE2-CE2 3.58Å; F17-Y33 HydrophobicContact CE2-CG 4.08Å
18	S	55.8	Low	52.3	Low	42 Å²	42	70.3 Å²	70.3	29%	0.294	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-72.2	166	165.1	95.5	0	0	0	0	111.3	E20 E21 W22	S18-E20 VanDerWaalsContact C-N 3.29Å; S18-E20 WeakPolarHBondContact CB-OE2 3.36Å; S18-E20 PolarHBondContact O-N 3.03Å; S18-E20 PolarHBondContact OG-N 2.85Å; S18-E20 PolarHBondContact OG-OE2 3.5Å; S18-E21 PolarHBondContact N-OE2 2.76Å; S18-E21 PolarHBondContact O-N 3.13Å; S18-E21 WeakPolarHBondContact OG-CG 3.27Å; S18-E21 PolarHBondContact OG-N 3.12Å; S18-W22 WeakPolarHBondContact O-CB 3.44Å; S18-W22 PolarHBondContact O-N 3.29Å
19	L	48.6	Very low	52.3	Low	55 Å²	55	69.3 Å²	69.3	29%	0.288	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-41	177.6	175	56.9	0	0	0	111.8	K23 W67	L19-K23 HydrophobicContact CD1-CD 4.34Å; L19-K23 HydrophobicContact CD1-CG 4.46Å; L19-K23 WeakPolarHBondContact O-CG 3.15Å; L19-K23 PolarHBondContact O-N 3.37Å; L19-K23 VanDerWaalsContact O-N 3.17Å; L19-W67 HydrophobicContact CB-CG 4.44Å; L19-W67 HydrophobicContact CD1-CD2 3.69Å; L19-W67 HydrophobicContact CD1-CE3 4.44Å; L19-W67 HydrophobicContact CD1-CG 3.88Å; L19-W67 HydrophobicContact CD1-CH2 4.19Å; L19-W67 HydrophobicContact CD1-CZ2 3.52Å
20	E	48.5	Very low	52.6	Low	125 Å²	125	67.6 Å²	67.6	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-67.1	-42.6	179.6	-57.9	69.9	-148.8	0	0	110.2	S18 C24	S18-E20 VanDerWaalsContact C-N 3.29Å; S18-E20 WeakPolarHBondContact CB-OE2 3.36Å; S18-E20 PolarHBondContact O-N 3.03Å; S18-E20 PolarHBondContact OG-N 2.85Å; S18-E20 PolarHBondContact OG-OE2 3.5Å; E20-C24 PolarHBondContact O-N 3.37Å; E20-C24 PolarHBondContact O-SG 3.45Å
21	E	47	Very low	52.6	Low	59 Å²	59	69.5 Å²	69.5	28%	0.276	36%	0.359	S	S	.	.	H	α-helix	trans	-68.4	-38.6	178.2	-66	168.2	161.7	0	0	112	F17 S18 C24 R174	F17-E21 HydrophobicContact CB-CB 4.47Å; F17-E21 HydrophobicContact CD1-CB 3.93Å; S18-E21 PolarHBondContact N-OE2 2.76Å; S18-E21 PolarHBondContact O-N 3.13Å; S18-E21 WeakPolarHBondContact OG-CG 3.27Å; S18-E21 PolarHBondContact OG-N 3.12Å; E21-C24 PolarHBondContact O-N 3.06Å; E21-R174 IonicContact OE1-CZ 3.5Å; E21-R174 IonicContact OE1-NH1 2.81Å; E21-R174 PolarHBondContact OE1-NH1 3.36Å; E21-R174 IonicContact OE1-NH2 2.69Å
22	W	60.6	Low	52.7	Low	3 Å²	3	65.2 Å²	65.2	1%	0.011	35%	0.349	C	S	.	.	H	α-helix	trans	-66.9	-38.5	178.5	-172.7	-81.1	0	0	0	112.4	F17 S18 C24 L25 Q30 Y33 P66 W67	F17-W22 HydrophobicContact CB-CB 4.43Å; F17-W22 HydrophobicContact CB-CE3 4.04Å; F17-W22 AromaticContact CD2-CE3 3.81Å; F17-W22 HydrophobicContact CD2-CE3 3.81Å; F17-W22 AromaticContact CD2-CZ3 3.94Å; F17-W22 HydrophobicContact CD2-CZ3 3.94Å; F17-W22 HydrophobicContact CG-CE3 4.17Å; S18-W22 WeakPolarHBondContact O-CB 3.44Å; S18-W22 PolarHBondContact O-N 3.29Å; W22-C24 PolarHBondContact O-N 3.34Å; W22-L25 HydrophobicContact CD2-CD1 4.46Å; W22-L25 HydrophobicContact CE3-CD1 4.01Å; W22-L25 HydrophobicContact CZ3-CD1 4.3Å; W22-L25 WeakPolarHBondContact O-CB 3.44Å; W22-L25 PolarHBondContact O-N 2.79Å; W22-Q30 HydrophobicContact CD2-CG 4.41Å; W22-Q30 HydrophobicContact CH2-CB 4.12Å; W22-Q30 HydrophobicContact CH2-CG 4.23Å; W22-Q30 HydrophobicContact CZ2-CB 3.67Å; W22-Q30 HydrophobicContact CZ2-CG 3.6Å; W22-Q30 PolarHBondContact O-NE2 3.26Å; W22-Y33 AromaticContact CH2-CD1 3.39Å; W22-Y33 HydrophobicContact CH2-CD1 3.39Å; W22-Y33 AromaticContact CH2-CE1 3.87Å; W22-Y33 HydrophobicContact CH2-CE1 3.87Å; W22-Y33 HydrophobicContact CH2-CG 4.14Å; W22-Y33 AromaticContact CZ3-CD1 3.27Å; W22-Y33 HydrophobicContact CZ3-CD1 3.27Å; W22-Y33 AromaticContact CZ3-CE1 3.48Å; W22-Y33 HydrophobicContact CZ3-CE1 3.48Å; W22-Y33 VanDerWaalsContact CZ3-CE1 3.48Å; W22-Y33 AromaticContact CZ3-CG 3.81Å; W22-Y33 HydrophobicContact CZ3-CG 3.81Å; W22-P66 HydrophobicContact CD2-CG 3.94Å; W22-P66 HydrophobicContact CE3-CG 3.68Å; W22-P66 HydrophobicContact CH2-CG 3.5Å; W22-P66 HydrophobicContact CZ2-CG 3.74Å; W22-P66 HydrophobicContact CZ3-CG 3.48Å; W22-P66 VanDerWaalsContact CZ3-CG 3.48Å; W22-W67 HydrophobicContact CB-CE3 4.11Å; W22-W67 HydrophobicContact CB-CZ3 4.19Å; W22-W67 AromaticContact CD1-CE3 3.75Å; W22-W67 AromaticContact CD1-CH2 3.77Å; W22-W67 AromaticContact CD1-CZ3 3.03Å; W22-W67 HydrophobicContact CD2-CE3 4.26Å; W22-W67 HydrophobicContact CD2-CZ3 4.13Å; W22-W67 AromaticContact CG-CE3 3.72Å; W22-W67 HydrophobicContact CG-CE3 3.72Å; W22-W67 HydrophobicContact CG-CH2 4.49Å; W22-W67 AromaticContact CG-CZ3 3.5Å; W22-W67 HydrophobicContact CG-CZ3 3.5Å; W22-W67 VanDerWaalsContact CG-CZ3 3.5Å; W22-W67 AromaticContact NE1-CZ3 3.35Å
23	K	58.1	Low	53.5	Low	148 Å²	148	61.6 Å²	61.6	64%	0.643	33%	0.329	S	S	*	.	H	α-helix	trans	-65.6	-23	177	-76.2	176.4	178.2	179	0	113.2	L19 L25	L19-K23 HydrophobicContact CD1-CD 4.34Å; L19-K23 HydrophobicContact CD1-CG 4.46Å; L19-K23 WeakPolarHBondContact O-CG 3.15Å; L19-K23 PolarHBondContact O-N 3.37Å; L19-K23 VanDerWaalsContact O-N 3.17Å; K23-L25 VanDerWaalsContact C-N 3.28Å
24	C	48.5	Very low	54.1	Low	101 Å²	101	61.4 Å²	61.4	68%	0.682	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.2	174.4	-65	0	0	0	0	113.3	E20 E21 W22	E20-C24 PolarHBondContact O-N 3.37Å; E20-C24 PolarHBondContact O-SG 3.45Å; E21-C24 PolarHBondContact O-N 3.06Å; W22-C24 PolarHBondContact O-N 3.34Å
25	L	49.8	Very low	54.1	Low	11 Å²	11	65.7 Å²	65.7	6%	0.058	35%	0.345	C	S	.	.	S	Bend	trans	-86.8	132.4	177.8	-59.9	177.1	0	0	0	110.7	F17 W22 K23 Q29 Q30	F17-L25 HydrophobicContact CD2-CD1 4.22Å; F17-L25 HydrophobicContact CE1-CD1 4.26Å; F17-L25 HydrophobicContact CE2-CD1 3.93Å; F17-L25 HydrophobicContact CG-CD1 4.5Å; F17-L25 HydrophobicContact CZ-CD1 3.96Å; W22-L25 HydrophobicContact CD2-CD1 4.46Å; W22-L25 HydrophobicContact CE3-CD1 4.01Å; W22-L25 HydrophobicContact CZ3-CD1 4.3Å; W22-L25 WeakPolarHBondContact O-CB 3.44Å; W22-L25 PolarHBondContact O-N 2.79Å; K23-L25 VanDerWaalsContact C-N 3.28Å; L25-Q29 HydrophobicContact CB-CB 4.14Å; L25-Q29 HydrophobicContact CD2-CB 4.31Å; L25-Q30 HydrophobicContact CB-CG 3.71Å; L25-Q30 HydrophobicContact CD1-CG 4.49Å; L25-Q30 PolarHBondContact O-NE2 3.41Å
26	D	48.9	Very low	53.9	Low	78 Å²	78	64.2 Å²	64.2	42%	0.417	34%	0.339	S	S	.	.			trans	-70.8	167.8	171.1	73.4	46.6	0	0	0	111.9	A28 Q29 Q30	D26-A28 VanDerWaalsContact C-N 3.25Å; D26-A28 PolarHBondContact O-N 2.85Å; D26-A28 WeakPolarHBondContact OD1-CA 3.27Å; D26-A28 WeakPolarHBondContact OD1-CB 2.86Å; D26-A28 PolarHBondContact OD1-N 3.07Å; D26-Q29 PolarHBondContact O-N 3.49Å; D26-Q29 WeakPolarHBondContact OD1-CG 3.47Å; D26-Q29 PolarHBondContact OD1-N 3.25Å; D26-Q29 PolarHBondContact OD2-NE2 3.24Å; D26-Q30 WeakPolarHBondContact O-CG 3.27Å; D26-Q30 PolarHBondContact O-N 2.88Å
27	L	50.9	Low	54.5	Low	123 Å²	123	59.6 Å²	59.6	64%	0.644	32%	0.318	S	S	*	.	H	α-helix	trans	-61.6	-31.6	-175.5	-171.3	65.4	0	0	0	113.2	N31	L27-N31 WeakPolarHBondContact O-CB 3.34Å; L27-N31 PolarHBondContact O-N 2.74Å; L27-N31 PolarHBondContact O-ND2 3.44Å
28	A	47.8	Very low	55	Low	71 Å²	71	58.1 Å²	58.1	59%	0.587	31%	0.312	S	S	*	.	H	α-helix	trans	-72.6	-40.5	178.2	0	0	0	0	0	110.9	D26 N31 L32	D26-A28 VanDerWaalsContact C-N 3.25Å; D26-A28 PolarHBondContact O-N 2.85Å; D26-A28 WeakPolarHBondContact OD1-CA 3.27Å; D26-A28 WeakPolarHBondContact OD1-CB 2.86Å; D26-A28 PolarHBondContact OD1-N 3.07Å; A28-N31 PolarHBondContact O-N 3.22Å; A28-L32 PolarHBondContact O-N 3.34Å
29	Q	47.4	Very low	55.2	Low	47 Å²	47	60 Å²	60	22%	0.22	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-41.9	176.7	-66.7	168.7	-10.9	0	0	112	L25 D26 N31 L32 Y33	L25-Q29 HydrophobicContact CB-CB 4.14Å; L25-Q29 HydrophobicContact CD2-CB 4.31Å; D26-Q29 PolarHBondContact O-N 3.49Å; D26-Q29 WeakPolarHBondContact OD1-CG 3.47Å; D26-Q29 PolarHBondContact OD1-N 3.25Å; D26-Q29 PolarHBondContact OD2-NE2 3.24Å; Q29-N31 VanDerWaalsContact C-N 3.31Å; Q29-N31 PolarHBondContact O-N 3.47Å; Q29-L32 PolarHBondContact O-N 2.98Å; Q29-Y33 PolarHBondContact O-N 3.09Å
30	Q	58.8	Low	55.6	Low	27 Å²	27	58.7 Å²	58.7	13%	0.126	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-36.8	175	-68.7	-178	19.5	0	0	112.4	W22 L25 D26 R34	W22-Q30 HydrophobicContact CD2-CG 4.41Å; W22-Q30 HydrophobicContact CH2-CB 4.12Å; W22-Q30 HydrophobicContact CH2-CG 4.23Å; W22-Q30 HydrophobicContact CZ2-CB 3.67Å; W22-Q30 HydrophobicContact CZ2-CG 3.6Å; W22-Q30 PolarHBondContact O-NE2 3.26Å; L25-Q30 HydrophobicContact CB-CG 3.71Å; L25-Q30 HydrophobicContact CD1-CG 4.49Å; L25-Q30 PolarHBondContact O-NE2 3.41Å; D26-Q30 WeakPolarHBondContact O-CG 3.27Å; D26-Q30 PolarHBondContact O-N 2.88Å; Q30-R34 WeakPolarHBondContact O-CG 3.14Å; Q30-R34 PolarHBondContact O-N 3.01Å
31	N	54	Low	56.3	Low	49 Å²	49	54 Å²	54	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-70.6	-41.4	175.6	-72.8	-32.1	0	0	0	111.8	L27 A28 Q29 Y33 R34 D35	L27-N31 WeakPolarHBondContact O-CB 3.34Å; L27-N31 PolarHBondContact O-N 2.74Å; L27-N31 PolarHBondContact O-ND2 3.44Å; A28-N31 PolarHBondContact O-N 3.22Å; Q29-N31 VanDerWaalsContact C-N 3.31Å; Q29-N31 PolarHBondContact O-N 3.47Å; N31-Y33 VanDerWaalsContact C-N 3.35Å; N31-Y33 PolarHBondContact O-N 3.03Å; N31-R34 WeakPolarHBondContact O-CB 3.43Å; N31-R34 PolarHBondContact O-N 3.26Å; N31-R34 PolarHBondContact OD1-NH1 3.21Å; N31-D35 PolarHBondContact O-N 3.04Å
32	L	54.9	Low	57	Low	89 Å²	89	57.7 Å²	57.7	47%	0.466	30%	0.298	S	S	.	.	H	α-helix	trans	-60.8	-44.6	175.1	-179.1	62.9	0	0	0	111.6	A28 Q29 R34 D35 V36	A28-L32 PolarHBondContact O-N 3.34Å; Q29-L32 PolarHBondContact O-N 2.98Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 2.94Å; L32-D35 PolarHBondContact O-N 3.27Å; L32-V36 HydrophobicContact CD1-CG2 4.12Å; L32-V36 HydrophobicContact CG-CG2 4.44Å; L32-V36 VanDerWaalsContact O-CG2 3.27Å; L32-V36 WeakPolarHBondContact O-CG2 3.45Å; L32-V36 PolarHBondContact O-N 3.28Å
33	Y	69	Low	56.8	Low	9 Å²	9	60.2 Å²	60.2	4%	0.035	31%	0.312	C	S	.	.	H	α-helix	trans	-57.8	-45.4	175.4	170.6	-92.8	0	0	0	112	I15 F17 W22 Q29 N31 V36 M37 L60 P66	I15-Y33 HydrophobicContact CB-CE2 4.38Å; I15-Y33 WeakPolarHBondContact O-CE2 3.37Å; I15-Y33 PolarHBondContact O-OH 3.47Å; F17-Y33 AromaticContact CD2-CD2 3.91Å; F17-Y33 HydrophobicContact CD2-CD2 3.91Å; F17-Y33 AromaticContact CD2-CE2 3.67Å; F17-Y33 HydrophobicContact CD2-CE2 3.67Å; F17-Y33 HydrophobicContact CD2-CG 4.44Å; F17-Y33 AromaticContact CE2-CD2 3.41Å; F17-Y33 HydrophobicContact CE2-CD2 3.41Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.41Å; F17-Y33 AromaticContact CE2-CE2 3.58Å; F17-Y33 HydrophobicContact CE2-CE2 3.58Å; F17-Y33 HydrophobicContact CE2-CG 4.08Å; W22-Y33 AromaticContact CH2-CD1 3.39Å; W22-Y33 HydrophobicContact CH2-CD1 3.39Å; W22-Y33 AromaticContact CH2-CE1 3.87Å; W22-Y33 HydrophobicContact CH2-CE1 3.87Å; W22-Y33 HydrophobicContact CH2-CG 4.14Å; W22-Y33 AromaticContact CZ3-CD1 3.27Å; W22-Y33 HydrophobicContact CZ3-CD1 3.27Å; W22-Y33 AromaticContact CZ3-CE1 3.48Å; W22-Y33 HydrophobicContact CZ3-CE1 3.48Å; W22-Y33 VanDerWaalsContact CZ3-CE1 3.48Å; W22-Y33 AromaticContact CZ3-CG 3.81Å; W22-Y33 HydrophobicContact CZ3-CG 3.81Å; Q29-Y33 PolarHBondContact O-N 3.09Å; N31-Y33 VanDerWaalsContact C-N 3.35Å; N31-Y33 PolarHBondContact O-N 3.03Å; Y33-V36 PolarHBondContact O-N 2.9Å; Y33-M37 HydrophobicContact CD1-CG 4.28Å; Y33-M37 HydrophobicContact CD2-CE 4.43Å; Y33-M37 HydrophobicContact CD2-CG 3.97Å; Y33-M37 HydrophobicContact CE1-CG 3.95Å; Y33-M37 HydrophobicContact CE2-CE 4.17Å; Y33-M37 HydrophobicContact CE2-CG 3.58Å; Y33-M37 HydrophobicContact CE2-SD 4.12Å; Y33-M37 HydrophobicContact CG-CG 4.35Å; Y33-M37 WeakPolarHBondContact O-CB 3.39Å; Y33-M37 VanDerWaalsContact O-CG 3.29Å; Y33-M37 WeakPolarHBondContact O-CG 3.31Å; Y33-M37 PolarHBondContact O-N 3.27Å; Y33-L60 HydrophobicContact CD1-CD2 4.12Å; Y33-L60 HydrophobicContact CE1-CD1 4.11Å; Y33-L60 HydrophobicContact CE1-CD2 3.79Å; Y33-P66 HydrophobicContact CE1-CG 4.25Å
34	R	63.5	Low	56.7	Low	24 Å²	24	53.4 Å²	53.4	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-52.4	176.1	-80.3	171.6	-174.5	145.6	1	111.2	Q30 N31 L32 V36 M37 L38 L60	Q30-R34 WeakPolarHBondContact O-CG 3.14Å; Q30-R34 PolarHBondContact O-N 3.01Å; N31-R34 WeakPolarHBondContact O-CB 3.43Å; N31-R34 PolarHBondContact O-N 3.26Å; N31-R34 PolarHBondContact OD1-NH1 3.21Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 2.94Å; R34-V36 VanDerWaalsContact C-N 3.3Å; R34-V36 PolarHBondContact O-N 2.9Å; R34-M37 PolarHBondContact O-N 2.78Å; R34-L38 WeakPolarHBondContact O-CB 3.43Å; R34-L38 VanDerWaalsContact O-CG 3.23Å; R34-L38 WeakPolarHBondContact O-CG 3.3Å; R34-L38 PolarHBondContact O-N 3.32Å; R34-L60 HydrophobicContact CB-CD2 4.43Å; R34-L60 HydrophobicContact CG-CB 4.37Å; R34-L60 HydrophobicContact CG-CD2 3.48Å; R34-L60 VanDerWaalsContact CG-CD2 3.48Å; R34-L60 HydrophobicContact CG-CG 4.47Å
35	D	54.9	Low	57	Low	108 Å²	108	54.8 Å²	54.8	58%	0.578	28%	0.277	S	S	*	.	H	α-helix	trans	-60.2	-42.9	-176.2	-71.6	-17.5	0	0	0	111.2	N31 L32 E39	N31-D35 PolarHBondContact O-N 3.04Å; L32-D35 PolarHBondContact O-N 3.27Å; D35-E39 VanDerWaalsContact O-CB 3.29Å; D35-E39 WeakPolarHBondContact O-CB 3.31Å; D35-E39 PolarHBondContact O-N 3.29Å
36	V	55.7	Low	57.2	Low	29 Å²	29	58.5 Å²	58.5	18%	0.176	30%	0.304	C	S	.	.	H	α-helix	trans	-68.5	-44.2	179.8	175.2	0	0	0	0	112	L32 Y33 R34 L38 E39 N40 F149	L32-V36 HydrophobicContact CD1-CG2 4.12Å; L32-V36 HydrophobicContact CG-CG2 4.44Å; L32-V36 VanDerWaalsContact O-CG2 3.27Å; L32-V36 WeakPolarHBondContact O-CG2 3.45Å; L32-V36 PolarHBondContact O-N 3.28Å; Y33-V36 PolarHBondContact O-N 2.9Å; R34-V36 VanDerWaalsContact C-N 3.3Å; R34-V36 PolarHBondContact O-N 2.9Å; V36-L38 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.13Å; V36-E39 PolarHBondContact O-N 2.93Å; V36-N40 WeakPolarHBondContact O-CB 3.5Å; V36-N40 PolarHBondContact O-N 3.34Å; V36-N40 PolarHBondContact O-OD1 3.43Å; V36-F149 HydrophobicContact CB-CE2 4.41Å; V36-F149 HydrophobicContact CG1-CD2 4.33Å; V36-F149 HydrophobicContact CG1-CE2 3.85Å; V36-F149 HydrophobicContact CG2-CE2 4.33Å
37	M	68.4	Low	57.3	Low	1 Å²	1	59 Å²	59	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-37.1	179.5	-70.7	-61.4	120.2	0	0	112.2	I15 Y33 R34 Y41 I57 L60	I15-M37 HydrophobicContact CB-CE 4.11Å; I15-M37 HydrophobicContact CD1-CE 4.22Å; I15-M37 HydrophobicContact CG1-CE 4.18Å; Y33-M37 HydrophobicContact CD1-CG 4.28Å; Y33-M37 HydrophobicContact CD2-CE 4.43Å; Y33-M37 HydrophobicContact CD2-CG 3.97Å; Y33-M37 HydrophobicContact CE1-CG 3.95Å; Y33-M37 HydrophobicContact CE2-CE 4.17Å; Y33-M37 HydrophobicContact CE2-CG 3.58Å; Y33-M37 HydrophobicContact CE2-SD 4.12Å; Y33-M37 HydrophobicContact CG-CG 4.35Å; Y33-M37 WeakPolarHBondContact O-CB 3.39Å; Y33-M37 VanDerWaalsContact O-CG 3.29Å; Y33-M37 WeakPolarHBondContact O-CG 3.31Å; Y33-M37 PolarHBondContact O-N 3.27Å; R34-M37 PolarHBondContact O-N 2.78Å; M37-Y41 PolarHBondContact O-N 3.23Å; M37-I57 HydrophobicContact CB-CD1 4.43Å; M37-I57 WeakPolarHBondContact O-CD1 3.25Å; M37-L60 HydrophobicContact CB-CD1 3.66Å; M37-L60 HydrophobicContact CG-CD1 4.26Å
38	L	64	Low	57	Low	21 Å²	21	56.1 Å²	56.1	11%	0.11	31%	0.31	C	S	.	.	H	α-helix	trans	-67.7	-40.6	174.8	-67.9	176.2	0	0	0	112	R34 V36 Y41 R42 I57 L60 E61	R34-L38 WeakPolarHBondContact O-CB 3.43Å; R34-L38 VanDerWaalsContact O-CG 3.23Å; R34-L38 WeakPolarHBondContact O-CG 3.3Å; R34-L38 PolarHBondContact O-N 3.32Å; V36-L38 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.13Å; L38-Y41 PolarHBondContact O-N 3.17Å; L38-R42 WeakPolarHBondContact O-CG 3.41Å; L38-R42 PolarHBondContact O-N 3.31Å; L38-I57 HydrophobicContact CD2-CD1 4.35Å; L38-I57 HydrophobicContact CD2-CG2 3.99Å; L38-L60 HydrophobicContact CD2-CB 4.17Å; L38-L60 HydrophobicContact CG-CB 4.44Å; L38-E61 HydrophobicContact CD1-CG 4.38Å; L38-E61 HydrophobicContact CD2-CG 3.42Å; L38-E61 VanDerWaalsContact CD2-CG 3.42Å
39	E	59.3	Low	57	Low	81 Å²	81	54.8 Å²	54.8	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-41.1	176.9	-166.6	63.8	-167.4	0	0	111.4	D35 V36 Y41 R42 N43	D35-E39 VanDerWaalsContact O-CB 3.29Å; D35-E39 WeakPolarHBondContact O-CB 3.31Å; D35-E39 PolarHBondContact O-N 3.29Å; V36-E39 PolarHBondContact O-N 2.93Å; E39-Y41 VanDerWaalsContact C-N 3.33Å; E39-Y41 PolarHBondContact O-N 2.84Å; E39-R42 PolarHBondContact O-N 3Å; E39-R42 IonicContact OE2-NH1 3.56Å; E39-N43 WeakPolarHBondContact O-CB 3.49Å; E39-N43 VanDerWaalsContact O-CG 3.22Å; E39-N43 PolarHBondContact O-N 3.42Å; E39-N43 PolarHBondContact O-ND2 2.77Å; E39-N43 VanDerWaalsContact O-ND2 3.15Å
40	N	57.2	Low	56.7	Low	29 Å²	29	59.5 Å²	59.5	16%	0.155	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-42.6	174.1	-73.2	-6.9	0	0	0	111.7	V36 N43 L44	V36-N40 WeakPolarHBondContact O-CB 3.5Å; V36-N40 PolarHBondContact O-N 3.34Å; V36-N40 PolarHBondContact O-OD1 3.43Å; N40-N43 PolarHBondContact O-N 3.49Å; N40-L44 WeakPolarHBondContact O-CB 3.38Å; N40-L44 WeakPolarHBondContact O-CG 3.29Å; N40-L44 PolarHBondContact O-N 2.78Å
41	Y	63	Low	56.2	Low	25 Å²	25	59.7 Å²	59.7	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-44.6	175.4	176.8	-104.1	0	0	0	112.2	F10 M37 L38 E39 N43 L44 F45 K53 P54 I57	F10-Y41 AromaticContact CD2-CD2 3.97Å; F10-Y41 HydrophobicContact CD2-CD2 3.97Å; F10-Y41 HydrophobicContact CE2-CD2 4.35Å; F10-Y41 HydrophobicContact CG-CD2 4.49Å; M37-Y41 PolarHBondContact O-N 3.23Å; L38-Y41 PolarHBondContact O-N 3.17Å; E39-Y41 VanDerWaalsContact C-N 3.33Å; E39-Y41 PolarHBondContact O-N 2.84Å; Y41-N43 VanDerWaalsContact C-N 3.32Å; Y41-N43 PolarHBondContact O-N 3.05Å; Y41-L44 PolarHBondContact O-N 3.36Å; Y41-F45 WeakPolarHBondContact O-CB 3.43Å; Y41-F45 PolarHBondContact O-N 3.04Å; Y41-K53 HydrophobicContact CE1-CG 4.31Å; Y41-K53 WeakPolarHBondContact OH-CA 3.45Å; Y41-K53 WeakPolarHBondContact OH-CB 3.41Å; Y41-P54 VanDerWaalsContact CE2-CD 3.43Å; Y41-P54 HydrophobicContact CE2-CG 4.42Å; Y41-I57 HydrophobicContact CD1-CG2 3.68Å; Y41-I57 HydrophobicContact CD2-CG1 3.93Å; Y41-I57 HydrophobicContact CD2-CG2 4.42Å; Y41-I57 HydrophobicContact CE1-CG2 4.05Å; Y41-I57 HydrophobicContact CG-CB 4.43Å; Y41-I57 HydrophobicContact CG-CD1 4.31Å; Y41-I57 HydrophobicContact CG-CG1 3.84Å; Y41-I57 HydrophobicContact CG-CG2 3.88Å
42	R	61.9	Low	56.1	Low	137 Å²	137	63.3 Å²	63.3	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-41.1	176.7	-73.2	173	-176.8	165.3	3	112.2	L38 E39 F45 S46	L38-R42 WeakPolarHBondContact O-CG 3.41Å; L38-R42 PolarHBondContact O-N 3.31Å; E39-R42 PolarHBondContact O-N 3Å; E39-R42 IonicContact OE2-NH1 3.56Å; R42-F45 PolarHBondContact O-N 3.45Å; R42-S46 WeakPolarHBondContact O-CB 3.37Å; R42-S46 PolarHBondContact O-N 2.82Å
43	N	57.7	Low	56.2	Low	57 Å²	57	63.4 Å²	63.4	31%	0.305	35%	0.352	S	S	.	.	H	α-helix	trans	-65	-45.1	177.3	-72	-29.4	0	0	0	111.1	E39 N40 Y41 F45 S46 V47	E39-N43 WeakPolarHBondContact O-CB 3.49Å; E39-N43 VanDerWaalsContact O-CG 3.22Å; E39-N43 PolarHBondContact O-N 3.42Å; E39-N43 PolarHBondContact O-ND2 2.77Å; E39-N43 VanDerWaalsContact O-ND2 3.15Å; N40-N43 PolarHBondContact O-N 3.49Å; Y41-N43 VanDerWaalsContact C-N 3.32Å; Y41-N43 PolarHBondContact O-N 3.05Å; N43-F45 VanDerWaalsContact C-N 3.31Å; N43-F45 PolarHBondContact O-N 3.13Å; N43-S46 WeakPolarHBondContact CA-OG 3.36Å; N43-S46 PolarHBondContact O-N 3.2Å; N43-S46 PolarHBondContact O-OG 3.39Å; N43-V47 WeakPolarHBondContact O-CG2 3.38Å; N43-V47 PolarHBondContact O-N 3.43Å
44	L	55	Low	56	Low	5 Å²	5	64.3 Å²	64.3	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-37.5	174.2	-76.3	179.4	0	0	0	113	F10 V13 N40 Y41 V47 L49 F142	F10-L44 HydrophobicContact CB-CD1 4.35Å; F10-L44 HydrophobicContact CD2-CD1 3.93Å; V13-L44 HydrophobicContact CB-CD1 4.46Å; V13-L44 HydrophobicContact CG1-CD1 4.36Å; V13-L44 HydrophobicContact CG2-CD1 3.3Å; V13-L44 HydrophobicContact CG2-CG 4.33Å; N40-L44 WeakPolarHBondContact O-CB 3.38Å; N40-L44 WeakPolarHBondContact O-CG 3.29Å; N40-L44 PolarHBondContact O-N 2.78Å; Y41-L44 PolarHBondContact O-N 3.36Å; L44-V47 WeakPolarHBondContact O-CG2 3.25Å; L44-L49 HydrophobicContact CD2-CD1 4.47Å; L44-F142 HydrophobicContact CD2-CZ 4.08Å
45	F	55.2	Low	56	Low	130 Å²	130	64.2 Å²	64.2	57%	0.57	37%	0.366	S	S	*	.	H	α-helix	trans	-66.8	-38.7	174.6	-168.2	-94	0	0	0	111.7	Y41 R42 N43 V47 G48	Y41-F45 WeakPolarHBondContact O-CB 3.43Å; Y41-F45 PolarHBondContact O-N 3.04Å; R42-F45 PolarHBondContact O-N 3.45Å; N43-F45 VanDerWaalsContact C-N 3.31Å; N43-F45 PolarHBondContact O-N 3.13Å; F45-V47 VanDerWaalsContact C-N 3.3Å; F45-V47 PolarHBondContact O-N 2.72Å; F45-G48 PolarHBondContact O-N 3.16Å
46	S	53.6	Low	56.5	Low	88 Å²	88	60.1 Å²	60.1	62%	0.615	34%	0.343	S	S	*	.	H	α-helix	trans	-69.1	-23.7	-179.5	74.6	0	0	0	0	114.3	R42 N43 G48	R42-S46 WeakPolarHBondContact O-CB 3.37Å; R42-S46 PolarHBondContact O-N 2.82Å; N43-S46 WeakPolarHBondContact CA-OG 3.36Å; N43-S46 PolarHBondContact O-N 3.2Å; N43-S46 PolarHBondContact O-OG 3.39Å; S46-G48 PolarHBondContact O-N 2.83Å
47	V	50.7	Low	57.3	Low	88 Å²	88	58.7 Å²	58.7	53%	0.533	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	12.3	174	-69.1	0	0	0	0	113.3	N43 L44 F45 L49	N43-V47 WeakPolarHBondContact O-CG2 3.38Å; N43-V47 PolarHBondContact O-N 3.43Å; L44-V47 WeakPolarHBondContact O-CG2 3.25Å; F45-V47 VanDerWaalsContact C-N 3.3Å; F45-V47 PolarHBondContact O-N 2.72Å; V47-L49 HydrophobicContact CG2-CD1 4.36Å; V47-L49 PolarHBondContact O-N 3.34Å
48	G	44.3	Very low	57.4	Low	63 Å²	63	60.9 Å²	60.9	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	10.8	167.4	0	0	0	0	0	115.3	F45 S46 T50	F45-G48 PolarHBondContact O-N 3.16Å; S46-G48 PolarHBondContact O-N 2.83Å; G48-T50 PolarHBondContact O-N 3.06Å
49	L	47.6	Very low	57.5	Low	43 Å²	43	60.6 Å²	60.6	23%	0.225	35%	0.348	C	S	.	.			trans	-78.8	113.8	171.9	-68	167.5	0	0	0	108.4	L7 L8 L44 V47 V51	L7-L49 HydrophobicContact CD1-CD2 3.79Å; L7-L49 HydrophobicContact CD2-CD2 4.47Å; L7-L49 HydrophobicContact CG-CD2 3.92Å; L8-L49 HydrophobicContact CB-CD1 4.24Å; L44-L49 HydrophobicContact CD2-CD1 4.47Å; V47-L49 HydrophobicContact CG2-CD1 4.36Å; V47-L49 PolarHBondContact O-N 3.34Å; L49-V51 VanDerWaalsContact C-N 3.28Å; L49-V51 HydrophobicContact CB-CG2 4.04Å; L49-V51 PolarHBondContact O-N 3.13Å
50	T	42	Very low	57.9	Low	146 Å²	146	56.9 Å²	56.9	90%	0.896	33%	0.331	S	S	*	.			trans	-70.6	86.7	173.4	46.1	0	0	0	0	109.3	G48	G48-T50 PolarHBondContact O-N 3.06Å
51	V	48.5	Very low	58.6	Low	32 Å²	32	59.8 Å²	59.8	19%	0.194	34%	0.343	C	S	.	.			trans	-93.6	120.8	176.2	-172.2	0	0	0	0	108	F10 L49 K53 P54	F10-V51 HydrophobicContact CB-CG1 4.16Å; L49-V51 VanDerWaalsContact C-N 3.28Å; L49-V51 HydrophobicContact CB-CG2 4.04Å; L49-V51 PolarHBondContact O-N 3.13Å; V51-K53 PolarHBondContact O-N 3.42Å; V51-P54 HydrophobicContact CG1-CG 4.32Å
52	C	52.1	Low	58.9	Low	124 Å²	124	63.8 Å²	63.8	84%	0.838	36%	0.363	S	S	*	.			trans	-54.3	126.8	164.2	-93.5	0	0	0	0	108.4	P54	C52-P54 WeakPolarHBondContact O-CD 3.5Å
53	K	56.5	Low	58.7	Low	91 Å²	91	65.2 Å²	65.2	40%	0.396	37%	0.368	S	S	.	.			trans	-55.8	112.8	-173.7	-171.6	173.9	-171.1	167.5	0	110.1	Y41 V51 I57 E61	Y41-K53 HydrophobicContact CE1-CG 4.31Å; Y41-K53 WeakPolarHBondContact OH-CA 3.45Å; Y41-K53 WeakPolarHBondContact OH-CB 3.41Å; V51-K53 PolarHBondContact O-N 3.42Å; K53-I57 HydrophobicContact CG-CB 4.41Å; K53-I57 HydrophobicContact CG-CG2 4.14Å; K53-E61 VanDerWaalsContact CE-OE1 3.32Å; K53-E61 WeakPolarHBondContact CE-OE1 3.15Å; K53-E61 WeakPolarHBondContact CE-OE2 3.39Å; K53-E61 IonicContact NZ-OE1 2.91Å; K53-E61 PolarHBondContact NZ-OE1 3.15Å; K53-E61 IonicContact NZ-OE2 2.89Å; K53-E61 PolarHBondContact NZ-OE2 3.36Å
54	P	65.5	Low	59	Low	29 Å²	29	68 Å²	68	19%	0.188	38%	0.378	C	S	.	.			trans	-64.3	141.7	-174.7	-23.6	34.9	0	0	0	110.9	F10 Y41 V51 C52 L56 I57 T58	F10-P54 HydrophobicContact CB-CG 3.75Å; F10-P54 HydrophobicContact CD1-CB 3.87Å; F10-P54 HydrophobicContact CD1-CG 3.5Å; F10-P54 HydrophobicContact CE1-CB 4.4Å; F10-P54 HydrophobicContact CE1-CG 4.32Å; F10-P54 HydrophobicContact CG-CG 3.71Å; Y41-P54 VanDerWaalsContact CE2-CD 3.43Å; Y41-P54 HydrophobicContact CE2-CG 4.42Å; V51-P54 HydrophobicContact CG1-CG 4.32Å; C52-P54 WeakPolarHBondContact O-CD 3.5Å; P54-L56 PolarHBondContact O-N 3.38Å; P54-I57 HydrophobicContact CB-CG1 4.38Å; P54-I57 HydrophobicContact CG-CG1 4.35Å; P54-I57 WeakPolarHBondContact O-CB 3.48Å; P54-I57 PolarHBondContact O-N 3.29Å; P54-T58 PolarHBondContact O-N 3.49Å
55	G	61.9	Low	59.3	Low	22 Å²	22	72.6 Å²	72.6	23%	0.227	40%	0.399	C	S	.	.	H	α-helix	trans	-54.6	-30.2	179.6	0	0	0	0	0	113.4	T58 C59	G55-T58 PolarHBondContact O-N 3.28Å; G55-C59 PolarHBondContact O-N 3.45Å
56	L	67.3	Low	59.3	Low	21 Å²	21	67 Å²	67	11%	0.11	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-44	173.1	-177.8	61.4	0	0	0	112.7	F10 A14 P54 C59 L60 P66 V69	F10-L56 HydrophobicContact CE1-CD2 4.38Å; A14-L56 HydrophobicContact CB-CD2 4.46Å; P54-L56 PolarHBondContact O-N 3.38Å; L56-C59 PolarHBondContact O-N 3.46Å; L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.39Å; L56-L60 HydrophobicContact CG-CD1 4.06Å; L56-L60 WeakPolarHBondContact O-CG 3.37Å; L56-L60 PolarHBondContact O-N 2.98Å; L56-P66 HydrophobicContact CD1-CB 3.42Å; L56-P66 VanDerWaalsContact CD1-CB 3.42Å; L56-V69 HydrophobicContact CB-CG2 4.45Å; L56-V69 HydrophobicContact CD1-CG2 4.29Å
57	I	70.9	Confident	59.5	Low	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.6	-42.6	177.4	-66.8	-52.9	0	0	0	110.6	F10 M37 L38 Y41 K53 P54 C59 L60 E61	F10-I57 HydrophobicContact CD1-CG1 4.34Å; F10-I57 HydrophobicContact CE1-CD1 3.75Å; F10-I57 HydrophobicContact CE1-CG1 3.72Å; F10-I57 HydrophobicContact CE2-CD1 3.77Å; F10-I57 HydrophobicContact CE2-CG1 4.05Å; F10-I57 HydrophobicContact CZ-CD1 3.19Å; F10-I57 HydrophobicContact CZ-CG1 3.6Å; M37-I57 HydrophobicContact CB-CD1 4.43Å; M37-I57 WeakPolarHBondContact O-CD1 3.25Å; L38-I57 HydrophobicContact CD2-CD1 4.35Å; L38-I57 HydrophobicContact CD2-CG2 3.99Å; Y41-I57 HydrophobicContact CD1-CG2 3.68Å; Y41-I57 HydrophobicContact CD2-CG1 3.93Å; Y41-I57 HydrophobicContact CD2-CG2 4.42Å; Y41-I57 HydrophobicContact CE1-CG2 4.05Å; Y41-I57 HydrophobicContact CG-CB 4.43Å; Y41-I57 HydrophobicContact CG-CD1 4.31Å; Y41-I57 HydrophobicContact CG-CG1 3.84Å; Y41-I57 HydrophobicContact CG-CG2 3.88Å; K53-I57 HydrophobicContact CG-CB 4.41Å; K53-I57 HydrophobicContact CG-CG2 4.14Å; P54-I57 HydrophobicContact CB-CG1 4.38Å; P54-I57 HydrophobicContact CG-CG1 4.35Å; P54-I57 WeakPolarHBondContact O-CB 3.48Å; P54-I57 PolarHBondContact O-N 3.29Å; I57-C59 VanDerWaalsContact C-N 3.31Å; I57-C59 PolarHBondContact O-N 3.35Å; I57-L60 HydrophobicContact CD1-CD1 4.33Å; I57-L60 PolarHBondContact O-N 2.8Å; I57-E61 WeakPolarHBondContact O-CG 3.44Å; I57-E61 PolarHBondContact O-N 2.93Å
58	T	70.1	Confident	59.3	Low	47 Å²	47	65.3 Å²	65.3	29%	0.288	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-39.5	174.9	-54	0	0	0	0	111.9	P54 G55 Q62	P54-T58 PolarHBondContact O-N 3.49Å; G55-T58 PolarHBondContact O-N 3.28Å; T58-Q62 WeakPolarHBondContact O-CG 3.44Å; T58-Q62 PolarHBondContact O-N 3.27Å
59	C	66.3	Low	59.5	Low	15 Å²	15	63.3 Å²	63.3	10%	0.101	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-44.3	173.5	-90.4	0	0	0	0	112.8	G55 L56 I57 Q62 R63 K64 V69	G55-C59 PolarHBondContact O-N 3.45Å; L56-C59 PolarHBondContact O-N 3.46Å; I57-C59 VanDerWaalsContact C-N 3.31Å; I57-C59 PolarHBondContact O-N 3.35Å; C59-Q62 PolarHBondContact O-N 3.16Å; C59-R63 PolarHBondContact O-N 2.85Å; C59-K64 HydrophobicContact CB-CB 4.48Å; C59-K64 PolarHBondContact O-N 3.46Å; C59-V69 HydrophobicContact CB-CG2 4.1Å
60	L	69.4	Low	59.3	Low	3 Å²	3	68.3 Å²	68.3	2%	0.016	35%	0.347	C	S	.	.	H	α-helix	trans	-68.1	-37.5	-177.4	-67.2	168.4	0	0	0	112.1	Y33 R34 M37 L38 L56 I57 Q62 R63 P66	Y33-L60 HydrophobicContact CD1-CD2 4.12Å; Y33-L60 HydrophobicContact CE1-CD1 4.11Å; Y33-L60 HydrophobicContact CE1-CD2 3.79Å; R34-L60 HydrophobicContact CB-CD2 4.43Å; R34-L60 HydrophobicContact CG-CB 4.37Å; R34-L60 HydrophobicContact CG-CD2 3.48Å; R34-L60 VanDerWaalsContact CG-CD2 3.48Å; R34-L60 HydrophobicContact CG-CG 4.47Å; M37-L60 HydrophobicContact CB-CD1 3.66Å; M37-L60 HydrophobicContact CG-CD1 4.26Å; L38-L60 HydrophobicContact CD2-CB 4.17Å; L38-L60 HydrophobicContact CG-CB 4.44Å; L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.39Å; L56-L60 HydrophobicContact CG-CD1 4.06Å; L56-L60 WeakPolarHBondContact O-CG 3.37Å; L56-L60 PolarHBondContact O-N 2.98Å; I57-L60 HydrophobicContact CD1-CD1 4.33Å; I57-L60 PolarHBondContact O-N 2.8Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-R63 PolarHBondContact O-N 3.33Å; L60-R63 VanDerWaalsContact O-N 3.15Å; L60-P66 HydrophobicContact CD2-CB 3.92Å; L60-P66 HydrophobicContact CD2-CG 4.05Å
61	E	71.9	Confident	59	Low	89 Å²	89	70.7 Å²	70.7	42%	0.416	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-36.2	174.2	-72.5	-177.9	179.9	0	0	112.8	L38 K53 I57 R63	L38-E61 HydrophobicContact CD1-CG 4.38Å; L38-E61 HydrophobicContact CD2-CG 3.42Å; L38-E61 VanDerWaalsContact CD2-CG 3.42Å; K53-E61 VanDerWaalsContact CE-OE1 3.32Å; K53-E61 WeakPolarHBondContact CE-OE1 3.15Å; K53-E61 WeakPolarHBondContact CE-OE2 3.39Å; K53-E61 IonicContact NZ-OE1 2.91Å; K53-E61 PolarHBondContact NZ-OE1 3.15Å; K53-E61 IonicContact NZ-OE2 2.89Å; K53-E61 PolarHBondContact NZ-OE2 3.36Å; I57-E61 WeakPolarHBondContact O-CG 3.44Å; I57-E61 PolarHBondContact O-N 2.93Å; E61-R63 PolarHBondContact O-N 3.29Å
62	Q	68.1	Low	58.2	Low	109 Å²	109	75.1 Å²	75.1	51%	0.509	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	5.8	175.6	-67.1	179	12.2	0	0	113.1	T58 C59 L60 K64	T58-Q62 WeakPolarHBondContact O-CG 3.44Å; T58-Q62 PolarHBondContact O-N 3.27Å; C59-Q62 PolarHBondContact O-N 3.16Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-K64 HydrophobicContact CB-CD 4.19Å; Q62-K64 HydrophobicContact CB-CG 4.14Å; Q62-K64 PolarHBondContact O-N 3.47Å; Q62-K64 VanDerWaalsContact O-N 3.12Å
63	R	58.5	Low	57.4	Low	167 Å²	167	76 Å²	76	63%	0.63	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	25.6	-173.1	-67.8	-174.9	173.2	-118.2	-2.2	113.9	C59 L60 E61	C59-R63 PolarHBondContact O-N 2.85Å; L60-R63 PolarHBondContact O-N 3.33Å; L60-R63 VanDerWaalsContact O-N 3.15Å; E61-R63 PolarHBondContact O-N 3.29Å
64	K	62.6	Low	56.2	Low	117 Å²	117	76 Å²	76	51%	0.509	37%	0.368	S	S	.	.			trans	-80.8	160.5	173.6	-69.9	176.8	179.3	166.5	0	110.2	C59 Q62	C59-K64 HydrophobicContact CB-CB 4.48Å; C59-K64 PolarHBondContact O-N 3.46Å; Q62-K64 HydrophobicContact CB-CD 4.19Å; Q62-K64 HydrophobicContact CB-CG 4.14Å; Q62-K64 PolarHBondContact O-N 3.47Å; Q62-K64 VanDerWaalsContact O-N 3.12Å
65	E	61.9	Low	54.6	Low	101 Å²	101	78.1 Å²	78.1	47%	0.472	39%	0.387	S	S	.	.			trans	-74.7	121.4	-178.7	-82.7	-179.4	161.2	0	0	110.8	W67	E65-W67 VanDerWaalsContact C-N 3.32Å; E65-W67 HydrophobicContact CB-CD2 4.04Å; E65-W67 HydrophobicContact CB-CE3 3.66Å; E65-W67 HydrophobicContact CB-CH2 3.37Å; E65-W67 HydrophobicContact CB-CZ2 3.67Å; E65-W67 HydrophobicContact CB-CZ3 3.23Å; E65-W67 HydrophobicContact CG-CE3 4.29Å; E65-W67 HydrophobicContact CG-CH2 3.25Å; E65-W67 HydrophobicContact CG-CZ2 3.91Å; E65-W67 HydrophobicContact CG-CZ3 3.36Å; E65-W67 PolarHBondContact O-N 3.34Å; E65-W67 VanDerWaalsContact OE1-CH2 3.27Å; E65-W67 WeakPolarHBondContact OE1-CH2 3.33Å; E65-W67 WeakPolarHBondContact OE2-CH2 3.39Å; E65-W67 WeakPolarHBondContact OE2-CZ2 3.3Å
66	P	55.4	Low	52.9	Low	12 Å²	12	83.8 Å²	83.8	8%	0.078	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-74.6	-9.2	-161.5	21.9	-29.4	0	0	0	116.5	W22 Y33 L56 L60 N68 V69	W22-P66 HydrophobicContact CD2-CG 3.94Å; W22-P66 HydrophobicContact CE3-CG 3.68Å; W22-P66 HydrophobicContact CH2-CG 3.5Å; W22-P66 HydrophobicContact CZ2-CG 3.74Å; W22-P66 HydrophobicContact CZ3-CG 3.48Å; W22-P66 VanDerWaalsContact CZ3-CG 3.48Å; Y33-P66 HydrophobicContact CE1-CG 4.25Å; L56-P66 HydrophobicContact CD1-CB 3.42Å; L56-P66 VanDerWaalsContact CD1-CB 3.42Å; L60-P66 HydrophobicContact CD2-CB 3.92Å; L60-P66 HydrophobicContact CD2-CG 4.05Å; P66-N68 VanDerWaalsContact C-N 3.35Å; P66-N68 PolarHBondContact O-N 3.14Å; P66-V69 WeakPolarHBondContact O-CG2 3.37Å
67	W	57.4	Low	51.4	Low	60 Å²	60	86 Å²	86	23%	0.227	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-80.8	-8.6	-173.5	60.1	85.5	0	0	0	114.9	L19 W22 E65	L19-W67 HydrophobicContact CB-CG 4.44Å; L19-W67 HydrophobicContact CD1-CD2 3.69Å; L19-W67 HydrophobicContact CD1-CE3 4.44Å; L19-W67 HydrophobicContact CD1-CG 3.88Å; L19-W67 HydrophobicContact CD1-CH2 4.19Å; L19-W67 HydrophobicContact CD1-CZ2 3.52Å; W22-W67 HydrophobicContact CB-CE3 4.11Å; W22-W67 HydrophobicContact CB-CZ3 4.19Å; W22-W67 AromaticContact CD1-CE3 3.75Å; W22-W67 AromaticContact CD1-CH2 3.77Å; W22-W67 AromaticContact CD1-CZ3 3.03Å; W22-W67 HydrophobicContact CD2-CE3 4.26Å; W22-W67 HydrophobicContact CD2-CZ3 4.13Å; W22-W67 AromaticContact CG-CE3 3.72Å; W22-W67 HydrophobicContact CG-CE3 3.72Å; W22-W67 HydrophobicContact CG-CH2 4.49Å; W22-W67 AromaticContact CG-CZ3 3.5Å; W22-W67 HydrophobicContact CG-CZ3 3.5Å; W22-W67 VanDerWaalsContact CG-CZ3 3.5Å; W22-W67 AromaticContact NE1-CZ3 3.35Å; E65-W67 VanDerWaalsContact C-N 3.32Å; E65-W67 HydrophobicContact CB-CD2 4.04Å; E65-W67 HydrophobicContact CB-CE3 3.66Å; E65-W67 HydrophobicContact CB-CH2 3.37Å; E65-W67 HydrophobicContact CB-CZ2 3.67Å; E65-W67 HydrophobicContact CB-CZ3 3.23Å; E65-W67 HydrophobicContact CG-CE3 4.29Å; E65-W67 HydrophobicContact CG-CH2 3.25Å; E65-W67 HydrophobicContact CG-CZ2 3.91Å; E65-W67 HydrophobicContact CG-CZ3 3.36Å; E65-W67 PolarHBondContact O-N 3.34Å; E65-W67 VanDerWaalsContact OE1-CH2 3.27Å; E65-W67 WeakPolarHBondContact OE1-CH2 3.33Å; E65-W67 WeakPolarHBondContact OE2-CH2 3.39Å; E65-W67 WeakPolarHBondContact OE2-CZ2 3.3Å
68	N	46.6	Very low	49.2	Very low	81 Å²	81	94.7 Å²	94.7	43%	0.433	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-90.3	2.6	-177.7	-92	-21	0	0	0	115	P66 K70 R71	P66-N68 VanDerWaalsContact C-N 3.35Å; P66-N68 PolarHBondContact O-N 3.14Å; N68-K70 PolarHBondContact O-N 2.88Å; N68-R71 PolarHBondContact O-N 3.1Å
69	V	49.9	Very low	47.1	Very low	20 Å²	20	97.8 Å²	97.8	12%	0.121	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-67.8	-31.2	-171.4	-178.4	0	0	0	0	112.8	L56 C59 P66 R71 Q72	L56-V69 HydrophobicContact CB-CG2 4.45Å; L56-V69 HydrophobicContact CD1-CG2 4.29Å; C59-V69 HydrophobicContact CB-CG2 4.1Å; P66-V69 WeakPolarHBondContact O-CG2 3.37Å; V69-R71 PolarHBondContact O-N 3.08Å; V69-R71 VanDerWaalsContact O-N 3.16Å; V69-Q72 PolarHBondContact O-N 2.77Å
70	K	43.6	Very low	45.4	Very low	148 Å²	148	106.8 Å²	106.8	64%	0.643	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-70.7	-5.6	179.6	-84.3	178.4	-176.8	151.6	0	115.4	E16 N68	E16-K70 IonicContact OE2-NZ 2.58Å; E16-K70 PolarHBondContact OE2-NZ 3.42Å; N68-K70 PolarHBondContact O-N 2.88Å
71	R	34.2	Very low	43.2	Very low	197 Å²	197	113.7 Å²	113.7	74%	0.743	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-105.4	-12.2	177.9	-108.4	-167.6	-70	-157.8	-1.2	115.1	N68 V69	N68-R71 PolarHBondContact O-N 3.1Å; V69-R71 PolarHBondContact O-N 3.08Å; V69-R71 VanDerWaalsContact O-N 3.16Å
72	Q	31.9	Very low	41.1	Very low	124 Å²	124	113 Å²	113	58%	0.579	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-27.6	179.9	-85.5	174.4	-34.2	0	0	113.5	V69 A74 A75 D76	V69-Q72 PolarHBondContact O-N 2.77Å; Q72-A74 PolarHBondContact O-N 3.09Å; Q72-A75 PolarHBondContact O-N 3.19Å; Q72-A75 VanDerWaalsContact O-N 3.12Å; Q72-D76 PolarHBondContact O-N 2.97Å
73	E	34.6	Very low	39.1	Very low	143 Å²	143	115.5 Å²	115.5	67%	0.668	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-11.1	174.1	-67.7	178.1	168.1	0	0	113.2
74	A	32.4	Very low	37.6	Very low	92 Å²	92	116 Å²	116	76%	0.76	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-8.1	172.3	0	0	0	0	0	113.8	Q72	Q72-A74 PolarHBondContact O-N 3.09Å
75	A	30.8	Very low	36	Very low	72 Å²	72	117.2 Å²	117.2	60%	0.595	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-28.9	-171.5	0	0	0	0	0	113.7	Q72 G77	Q72-A75 PolarHBondContact O-N 3.19Å; Q72-A75 VanDerWaalsContact O-N 3.12Å; A75-G77 PolarHBondContact O-N 3.3Å
76	D	27.5	Very low	34.2	Very low	141 Å²	141	116.6 Å²	116.6	75%	0.754	63%	0.631	S	S	*	*	S	Bend	trans	-101.8	81.4	173.7	-72	-28.2	0	0	0	109.4	Q72 H78	Q72-D76 PolarHBondContact O-N 2.97Å; D76-H78 PolarHBondContact O-N 3.43Å; D76-H78 VanDerWaalsContact O-N 3.14Å
77	G	36.2	Very low	32.9	Very low	69 Å²	69	121.7 Å²	121.7	71%	0.711	66%	0.662	S	S	*	*			trans	-62	112.4	176.8	0	0	0	0	0	111.6	A75	A75-G77 PolarHBondContact O-N 3.3Å
78	H	23.9	Very low	31.5	Very low	181 Å²	181	126.3 Å²	126.3	84%	0.838	69%	0.686	S	S	*	*			trans	-141.4	145.7	152.8	-103	57.5	0	0	0	109.5	D76	D76-H78 PolarHBondContact O-N 3.43Å; D76-H78 VanDerWaalsContact O-N 3.14Å
79	P	25.6	Very low	30.5	Very low	113 Å²	113	126.7 Å²	126.7	73%	0.734	70%	0.7	S	S	*	*			trans	-83.5	142.7	-144.1	-7.2	24.5	0	0	0	113.1	M81	P79-M81 PolarHBondContact O-N 3.21Å; P79-M81 VanDerWaalsContact O-N 3.11Å
80	E	30.3	Very low	29.4	Very low	203 Å²	203	131.8 Å²	131.8	95%	0.949	74%	0.736	S	S	*	*			trans	-52.7	113.7	160.1	-76.3	-175.3	142.7	0	0	109.9
81	M	23.5	Very low	28.8	Very low	149 Å²	149	132.2 Å²	132.2	73%	0.734	74%	0.744	S	S	*	*			trans	-111.3	95.9	162.8	-147.8	-174.8	-57.9	0	0	107.3	P79 F83	P79-M81 PolarHBondContact O-N 3.21Å; P79-M81 VanDerWaalsContact O-N 3.11Å; M81-F83 HydrophobicContact CB-CE2 4.37Å; M81-F83 HydrophobicContact CG-CE2 4.39Å; M81-F83 PolarHBondContact O-N 3.49Å; M81-F83 VanDerWaalsContact O-N 3.15Å; M81-F83 HydrophobicContact SD-CE2 3.98Å; M81-F83 HydrophobicContact SD-CZ 4.29Å
82	G	28.4	Very low	28.5	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	75%	0.748	S	S	*	*			trans	-58.7	113.3	168.7	0	0	0	0	0	109.5	H84	G82-H84 PolarHBondContact O-N 3.46Å; G82-H84 VanDerWaalsContact O-N 3.13Å
83	F	25.4	Very low	28.5	Very low	161 Å²	161	133.2 Å²	133.2	71%	0.706	76%	0.762	S	S	*	*			trans	-85.6	90	178.7	-100.3	-89.3	0	0	0	111	M81 H85	M81-F83 HydrophobicContact CB-CE2 4.37Å; M81-F83 HydrophobicContact CG-CE2 4.39Å; M81-F83 PolarHBondContact O-N 3.49Å; M81-F83 VanDerWaalsContact O-N 3.15Å; M81-F83 HydrophobicContact SD-CE2 3.98Å; M81-F83 HydrophobicContact SD-CZ 4.29Å; F83-H85 HydrophobicContact CD1-CB 3.98Å; F83-H85 HydrophobicContact CE1-CB 4.41Å; F83-H85 PolarHBondContact O-N 3.26Å
84	H	27.2	Very low	28.2	Very low	177 Å²	177	134.4 Å²	134.4	82%	0.819	77%	0.772	S	S	*	*			trans	-77.8	28.9	163.8	-147.6	-75.1	0	0	0	112.2	G82	G82-H84 PolarHBondContact O-N 3.46Å; G82-H84 VanDerWaalsContact O-N 3.13Å
85	H	29.8	Very low	27.8	Very low	144 Å²	144	133.5 Å²	133.5	67%	0.667	77%	0.771	S	S	*	*			trans	-142.2	30.3	-162.5	-110.8	-75.4	0	0	0	117.3	F83	F83-H85 HydrophobicContact CD1-CB 3.98Å; F83-H85 HydrophobicContact CE1-CB 4.41Å; F83-H85 PolarHBondContact O-N 3.26Å
86	A	24.4	Very low	27.6	Very low	87 Å²	87	135.7 Å²	135.7	72%	0.719	78%	0.782	S	S	*	*	S	Bend	trans	-124.4	26.1	173.1	0	0	0	0	0	114.2
87	T	27.7	Very low	27.5	Very low	120 Å²	120	133.6 Å²	133.6	74%	0.736	78%	0.778	S	S	*	*	S	Bend	trans	-117	17.5	173.7	27.7	0	0	0	0	113.5
88	Q	27.9	Very low	27	Very low	157 Å²	157	137.1 Å²	137.1	73%	0.734	78%	0.781	S	S	*	*	S	Bend	trans	-110.3	-10.5	178.8	-146.5	97.6	5.3	0	0	114.2
89	A	26.4	Very low	27	Very low	89 Å²	89	136.1 Å²	136.1	74%	0.736	78%	0.781	S	S	*	*	S	Bend	trans	-101.5	-7.8	-174.4	0	0	0	0	0	115.2
90	C	26	Very low	27.2	Very low	127 Å²	127	136.2 Å²	136.2	86%	0.858	78%	0.781	S	S	*	*	S	Bend	trans	-101	4.4	-178.7	-74.1	0	0	0	0	114.5
91	L	30.4	Very low	26.9	Very low	157 Å²	157	130.9 Å²	130.9	82%	0.822	77%	0.772	S	S	*	*	S	Bend	trans	-108.1	11.5	-178.8	-86	167.1	0	0	0	114.7
92	E	29.2	Very low	26.8	Very low	177 Å²	177	129.5 Å²	129.5	83%	0.827	78%	0.777	S	S	*	*	S	Bend	trans	-109.1	7.6	178.1	-71.5	-171.9	166.8	0	0	115
93	L	30.1	Very low	26.7	Very low	165 Å²	165	130.6 Å²	130.6	86%	0.864	78%	0.779	S	S	*	*	S	Bend	trans	-114.3	8.1	-179.9	-78.9	173.9	0	0	0	116.1
94	L	28.8	Very low	26.6	Very low	168 Å²	168	128.1 Å²	128.1	88%	0.88	78%	0.781	S	S	*	*	S	Bend	trans	-128.3	92	169.1	-67.2	173.3	0	0	0	108.5
95	G	24.9	Very low	26.5	Very low	72 Å²	72	129 Å²	129	74%	0.742	79%	0.786	S	S	*	*			trans	-64.5	161.2	-177.4	0	0	0	0	0	114.7
96	S	26.7	Very low	26.3	Very low	118 Å²	118	127.4 Å²	127.4	83%	0.825	79%	0.791	S	S	*	*			trans	1.6	142.4	156	-38.3	0	0	0	0	117.7
97	S	25.5	Very low	26.3	Very low	97 Å²	97	128 Å²	128	68%	0.678	80%	0.796	S	S	*	*			cis	-167.9	165.4	37.4	-45.7	0	0	0	0	110.5
98	D	25.1	Very low	26	Very low	144 Å²	144	125.5 Å²	125.5	77%	0.77	79%	0.794	S	S	*	*			trans	93	88.2	156.9	-53.4	-29.1	0	0	0	120.7
99	L	24.8	Very low	25.8	Very low	160 Å²	160	126 Å²	126	84%	0.838	80%	0.8	S	S	*	*				37.3	160.2	124.3	-66.3	166.1	0	0	0	122.1
100	P	29.1	Very low	25.6	Very low	114 Å²	114	128.1 Å²	128.1	74%	0.74	80%	0.804	S	S	*	*			cis	-136.1	169.1	-37.9	36.5	-18.4	0	0	0	115.5
101	A	22.7	Very low	25.4	Very low	91 Å²	91	125.3 Å²	125.3	75%	0.752	80%	0.796	S	S	*	*			trans	-8.5	158.2	157.9	0	0	0	0	0	124.3
102	S	23.4	Very low	25.1	Very low	121 Å²	121	124 Å²	124	85%	0.846	80%	0.795	S	S	*	*			trans	91.1	135	156.9	78.3	0	0	0	0	115.5
103	A	24.8	Very low	24.7	Very low	97 Å²	97	122.1 Å²	122.1	80%	0.802	79%	0.79	S	S	*	*			cis	-148.5	148.1	25.3	0	0	0	0	0	113.1
104	S	23.7	Very low	24.5	Very low	108 Å²	108	122.8 Å²	122.8	76%	0.755	79%	0.789	S	S	*	*			trans	-55.9	149.9	165.4	-34.6	0	0	0	0	112.9
105	Q	26	Very low	24.1	Very low	196 Å²	196	126.5 Å²	126.5	92%	0.916	79%	0.791	S	S	*	*				-173.8	139.5	121.1	-99.6	166.7	27.8	0	0	113.4
106	S	24.2	Very low	24.1	Very low	111 Å²	111	127.4 Å²	127.4	78%	0.776	79%	0.791	S	S	*	*			trans	-71.9	153.2	176.7	50.2	0	0	0	0	114.5
107	A	24.5	Very low	23.9	Very low	100 Å²	100	130.9 Å²	130.9	83%	0.826	79%	0.794	S	S	*	*				176.1	132.9	122.9	0	0	0	0	0	110.7
108	G	22.2	Very low	23.9	Very low	66 Å²	66	131.6 Å²	131.6	68%	0.68	80%	0.797	S	S	*	*			trans	-85.1	169.8	166.6	0	0	0	0	0	112.2
109	I	23.6	Very low	24.1	Very low	169 Å²	169	127.9 Å²	127.9	87%	0.867	79%	0.793	S	S	*	*			trans	178.2	151	133.5	-87.1	157.3	0	0	0	109.2
110	T	23	Very low	24	Very low	133 Å²	133	128.1 Å²	128.1	82%	0.816	79%	0.794	S	S	*	*			trans	-53.9	153.4	-172.7	52.1	0	0	0	0	119.5
111	G	21.6	Very low	23.8	Very low	68 Å²	68	130.7 Å²	130.7	70%	0.701	80%	0.801	S	S	*	*				105.5	100	122.9	0	0	0	0	0	121.2
112	V	23.1	Very low	24	Very low	130 Å²	130	130.9 Å²	130.9	79%	0.788	79%	0.793	S	S	*	*			trans	69.1	119.9	133.5	-168	0	0	0	0	122.8
113	N	20.8	Very low	24.1	Very low	137 Å²	137	127.9 Å²	127.9	73%	0.733	77%	0.772	S	S	*	*			trans	79.8	118.9	146	-73.7	-15.1	0	0	0	125
114	H	26.3	Very low	24.3	Very low	179 Å²	179	128.7 Å²	128.7	83%	0.829	77%	0.767	S	S	*	*			trans	48.5	104.3	142.4	-76.5	-62	0	0	0	120.2
115	R	20.7	Very low	24.5	Very low	246 Å²	246	129.2 Å²	129.2	93%	0.928	76%	0.761	S	S	*	*				-157.6	127.1	121.7	-149	167.9	-168.1	166.1	2.5	110.6	Q117	R115-Q117 PolarHBondContact O-N 2.85Å
116	A	25.2	Very low	24.5	Very low	91 Å²	91	127.3 Å²	127.3	75%	0.752	75%	0.75	S	S	*	*			trans	-60.9	132.2	169.7	0	0	0	0	0	110.3
117	Q	21.7	Very low	24.7	Very low	190 Å²	190	129.1 Å²	129.1	89%	0.888	74%	0.744	S	S	*	*			trans	-145.2	151.2	141.1	-90.9	-126.7	-26.1	0	0	110.4	R115	R115-Q117 PolarHBondContact O-N 2.85Å
118	P	26.8	Very low	24.9	Very low	113 Å²	113	128.3 Å²	128.3	73%	0.734	73%	0.729	S	S	*	*			trans	-98.8	157.4	-152.1	36.7	-29.6	0	0	0	112.2
119	G	27.6	Very low	25.3	Very low	66 Å²	66	129 Å²	129	68%	0.68	73%	0.728	S	S	*	*			trans	98.4	94.3	155.5	0	0	0	0	0	115.3
120	L	22.7	Very low	25.6	Very low	165 Å²	165	128.3 Å²	128.3	86%	0.864	73%	0.725	S	S	*	*				-136.1	91.9	124.3	-101.1	123.5	0	0	0	106.8	V122	L120-V122 PolarHBondContact O-N 3.16Å
121	N	26.1	Very low	25.9	Very low	167 Å²	167	124.4 Å²	124.4	89%	0.893	70%	0.703	S	S	*	*			trans	-57.8	93.2	155	-105	-26.5	0	0	0	106.4	S123	N121-S123 VanDerWaalsContact C-N 3.3Å; N121-S123 PolarHBondContact O-N 3.49Å; N121-S123 VanDerWaalsContact O-N 3.13Å
122	V	25.8	Very low	26.4	Very low	96 Å²	96	124.9 Å²	124.9	58%	0.582	70%	0.695	S	S	*	*			trans	-73.9	101.5	156.6	-179	0	0	0	0	104.3	L120 V124 K126	L120-V122 PolarHBondContact O-N 3.16Å; V122-V124 PolarHBondContact O-N 3.15Å; V122-K126 HydrophobicContact CG1-CB 3.8Å; V122-K126 HydrophobicContact CG1-CD 4.31Å
123	S	25.2	Very low	26.9	Very low	57 Å²	57	124 Å²	124	40%	0.399	69%	0.692	S	S	.	*			trans	-46.4	140.6	173.8	-175.3	0	0	0	0	109.7	N121 D125 K126	N121-S123 VanDerWaalsContact C-N 3.3Å; N121-S123 PolarHBondContact O-N 3.49Å; N121-S123 VanDerWaalsContact O-N 3.13Å; S123-D125 PolarHBondContact O-N 3.42Å; S123-D125 PolarHBondContact OG-N 3.11Å; S123-D125 PolarHBondContact OG-OD2 3.24Å; S123-K126 PolarHBondContact O-N 3.17Å
124	V	29.1	Very low	27.4	Very low	115 Å²	115	119.7 Å²	119.7	70%	0.697	68%	0.68	S	S	*	*	H	α-helix	trans	-46.4	-21	168.9	175.5	0	0	0	0	111.7	V122 K126 F127 T128	V122-V124 PolarHBondContact O-N 3.15Å; V124-K126 PolarHBondContact O-N 3.06Å; V124-F127 PolarHBondContact O-N 3.41Å; V124-T128 PolarHBondContact O-N 3.06Å; V124-T128 PolarHBondContact O-OG1 3.33Å
125	D	27.8	Very low	27.6	Very low	119 Å²	119	114.9 Å²	114.9	64%	0.636	66%	0.664	S	S	*	*	H	α-helix	trans	-66.6	-23.2	176.1	-54.6	-35.7	0	0	0	115.1	S123 T128	S123-D125 PolarHBondContact O-N 3.42Å; S123-D125 PolarHBondContact OG-N 3.11Å; S123-D125 PolarHBondContact OG-OD2 3.24Å; D125-T128 VanDerWaalsContact CA-OG1 3.3Å; D125-T128 WeakPolarHBondContact CA-OG1 3.35Å; D125-T128 PolarHBondContact O-OG1 3.35Å
126	K	27.8	Very low	28.2	Very low	156 Å²	156	106 Å²	106	68%	0.678	63%	0.634	S	S	*	*	H	α-helix	trans	-88.6	-26.2	176.9	-90	-177.4	177.6	179.1	0	113.7	V122 S123 V124 A129	V122-K126 HydrophobicContact CG1-CB 3.8Å; V122-K126 HydrophobicContact CG1-CD 4.31Å; S123-K126 PolarHBondContact O-N 3.17Å; V124-K126 PolarHBondContact O-N 3.06Å; K126-A129 PolarHBondContact O-N 3.21Å
127	F	28.3	Very low	28.6	Very low	149 Å²	149	107.6 Å²	107.6	65%	0.654	63%	0.626	S	S	*	*	H	α-helix	trans	-77.7	-27.8	176	-154.3	-92.2	0	0	0	111.9	V124 A129 L136	V124-F127 PolarHBondContact O-N 3.41Å; F127-A129 VanDerWaalsContact C-N 3.27Å; F127-A129 PolarHBondContact O-N 3.43Å; F127-L136 HydrophobicContact CD1-CD2 4.39Å; F127-L136 HydrophobicContact CE1-CD2 4.42Å
128	T	28.6	Very low	29.2	Very low	82 Å²	82	101.3 Å²	101.3	50%	0.503	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.2	-17.9	173	29	0	0	0	0	113.3	V124 D125	V124-T128 PolarHBondContact O-N 3.06Å; V124-T128 PolarHBondContact O-OG1 3.33Å; D125-T128 VanDerWaalsContact CA-OG1 3.3Å; D125-T128 WeakPolarHBondContact CA-OG1 3.35Å; D125-T128 PolarHBondContact O-OG1 3.35Å
129	A	30.1	Very low	29.4	Very low	81 Å²	81	99.5 Å²	99.5	67%	0.669	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-13.9	-179.1	0	0	0	0	0	114.6	K126 F127	K126-A129 PolarHBondContact O-N 3.21Å; F127-A129 VanDerWaalsContact C-N 3.27Å; F127-A129 PolarHBondContact O-N 3.43Å
130	L	29.5	Very low	29.7	Very low	154 Å²	154	101.4 Å²	101.4	81%	0.806	58%	0.577	S	S	*	*	S	Bend	trans	-115.3	3.4	-170.6	-72.7	171.1	0	0	0	115.1
131	C	30.1	Very low	30.4	Very low	52 Å²	52	98.5 Å²	98.5	35%	0.351	56%	0.555	S	S	.	*	S	Bend	trans	-131.7	127.1	-178.1	-78.4	0	0	0	0	110.8	L136	C131-L136 HydrophobicContact CB-CD1 3.62Å; C131-L136 HydrophobicContact CB-CG 3.92Å
132	S	31.9	Very low	30.8	Very low	77 Å²	77	92.9 Å²	92.9	54%	0.538	52%	0.522	S	S	.	.			trans	-58.8	138.6	174.2	42.1	0	0	0	0	110.7	G134 V135	S132-G134 PolarHBondContact O-N 3.41Å; S132-V135 PolarHBondContact O-N 3.15Å
133	P	32.4	Very low	31.2	Very low	111 Å²	111	94.1 Å²	94.1	72%	0.721	53%	0.525	S	S	*	.	H	α-helix	trans	-53.1	-28.2	-168.5	-28.6	33.7	0	0	0	115.7	Q137	P133-Q137 WeakPolarHBondContact O-CB 3.48Å; P133-Q137 PolarHBondContact O-N 3.06Å
134	G	31.1	Very low	31.9	Very low	47 Å²	47	94.5 Å²	94.5	49%	0.485	52%	0.52	S	S	.	.	H	α-helix	trans	-67.5	-33	177.8	0	0	0	0	0	114.7	S132 T138	S132-G134 PolarHBondContact O-N 3.41Å; G134-T138 WeakPolarHBondContact O-CB 3.21Å; G134-T138 PolarHBondContact O-N 2.8Å; G134-T138 PolarHBondContact O-OG1 2.98Å
135	V	32.1	Very low	32.4	Very low	79 Å²	79	92.9 Å²	92.9	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-78.3	-40.9	-175.9	179.5	0	0	0	0	111.1	S132 Q137 T138 V139	S132-V135 PolarHBondContact O-N 3.15Å; V135-Q137 VanDerWaalsContact C-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.47Å; V135-T138 PolarHBondContact O-N 3.35Å; V135-V139 WeakPolarHBondContact O-CG2 3.32Å; V135-V139 PolarHBondContact O-N 3.18Å
136	L	32.4	Very low	32.8	Very low	60 Å²	60	95.3 Å²	95.3	31%	0.314	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-36.3	174.1	-88.5	158.7	0	0	0	112.3	F127 C131 T138 K140	F127-L136 HydrophobicContact CD1-CD2 4.39Å; F127-L136 HydrophobicContact CE1-CD2 4.42Å; C131-L136 HydrophobicContact CB-CD1 3.62Å; C131-L136 HydrophobicContact CB-CG 3.92Å; L136-T138 VanDerWaalsContact C-N 3.34Å; L136-K140 VanDerWaalsContact O-CB 3.24Å; L136-K140 WeakPolarHBondContact O-CB 3.42Å; L136-K140 PolarHBondContact O-N 2.8Å
137	Q	34.1	Very low	33.1	Very low	124 Å²	124	90.9 Å²	90.9	58%	0.579	49%	0.492	S	S	*	.	H	α-helix	trans	-69.7	-34.4	176.9	-163.1	63.5	30.1	0	0	112	P133 V135 W141	P133-Q137 WeakPolarHBondContact O-CB 3.48Å; P133-Q137 PolarHBondContact O-N 3.06Å; V135-Q137 VanDerWaalsContact C-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.47Å; Q137-W141 VanDerWaalsContact O-CB 3.22Å; Q137-W141 WeakPolarHBondContact O-CB 3.27Å; Q137-W141 PolarHBondContact O-N 2.78Å
138	T	33	Very low	33.7	Very low	58 Å²	58	88.4 Å²	88.4	36%	0.356	49%	0.485	S	S	.	.	H	α-helix	trans	-76.5	-43.8	-178	-56	0	0	0	0	111.8	G134 V135 L136 K140 W141 F142	G134-T138 WeakPolarHBondContact O-CB 3.21Å; G134-T138 PolarHBondContact O-N 2.8Å; G134-T138 PolarHBondContact O-OG1 2.98Å; V135-T138 PolarHBondContact O-N 3.35Å; L136-T138 VanDerWaalsContact C-N 3.34Å; T138-K140 VanDerWaalsContact C-N 3.3Å; T138-K140 PolarHBondContact O-N 3.13Å; T138-W141 WeakPolarHBondContact O-CB 3.33Å; T138-W141 PolarHBondContact O-N 3.07Å; T138-F142 HydrophobicContact CG2-CD2 3.74Å; T138-F142 HydrophobicContact CG2-CE2 3.43Å; T138-F142 VanDerWaalsContact CG2-CE2 3.43Å; T138-F142 WeakPolarHBondContact O-CD2 3.48Å; T138-F142 PolarHBondContact O-N 3.45Å
139	V	32.1	Very low	34.1	Very low	75 Å²	75	86.2 Å²	86.2	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-36.6	175.5	174.6	0	0	0	0	111.5	V135 F142 L143	V135-V139 WeakPolarHBondContact O-CG2 3.32Å; V135-V139 PolarHBondContact O-N 3.18Å; V139-F142 PolarHBondContact O-N 3.2Å; V139-L143 HydrophobicContact CG1-CD1 4.39Å; V139-L143 PolarHBondContact O-N 2.77Å
140	K	34.3	Very low	34.4	Very low	105 Å²	105	85.6 Å²	85.6	46%	0.457	46%	0.459	S	S	.	.	H	α-helix	trans	-67.2	-42.1	173.5	-172.6	172.2	-179	177.3	0	112.2	L136 T138 F142 E144	L136-K140 VanDerWaalsContact O-CB 3.24Å; L136-K140 WeakPolarHBondContact O-CB 3.42Å; L136-K140 PolarHBondContact O-N 2.8Å; T138-K140 VanDerWaalsContact C-N 3.3Å; T138-K140 PolarHBondContact O-N 3.13Å; K140-F142 PolarHBondContact O-N 3.25Å; K140-E144 WeakPolarHBondContact CE-OE1 3.49Å; K140-E144 VanDerWaalsContact CG-OE1 3.25Å; K140-E144 WeakPolarHBondContact CG-OE1 3.18Å; K140-E144 WeakPolarHBondContact O-CB 3.44Å; K140-E144 WeakPolarHBondContact O-CG 3.2Å; K140-E144 PolarHBondContact O-N 3.35Å
141	W	36	Very low	34.8	Very low	105 Å²	105	83.7 Å²	83.7	40%	0.398	45%	0.449	S	S	.	.	H	α-helix	trans	-59	-42	173.8	-176.1	86.1	0	0	0	112.5	Q137 T138 F145	Q137-W141 VanDerWaalsContact O-CB 3.22Å; Q137-W141 WeakPolarHBondContact O-CB 3.27Å; Q137-W141 PolarHBondContact O-N 2.78Å; T138-W141 WeakPolarHBondContact O-CB 3.33Å; T138-W141 PolarHBondContact O-N 3.07Å; W141-F145 WeakPolarHBondContact O-CB 3.49Å; W141-F145 PolarHBondContact O-N 3.44Å
142	F	34.7	Very low	34.9	Very low	49 Å²	49	83.3 Å²	83.3	22%	0.215	45%	0.45	C	S	.	.	H	α-helix	trans	-69.8	-40.5	-179.5	-83.2	-67.8	0	0	0	114.1	V13 L44 T138 V139 K140 E144 R146	V13-F142 HydrophobicContact CG1-CD1 4.42Å; V13-F142 HydrophobicContact CG1-CE1 4.25Å; L44-F142 HydrophobicContact CD2-CZ 4.08Å; T138-F142 HydrophobicContact CG2-CD2 3.74Å; T138-F142 HydrophobicContact CG2-CE2 3.43Å; T138-F142 VanDerWaalsContact CG2-CE2 3.43Å; T138-F142 WeakPolarHBondContact O-CD2 3.48Å; T138-F142 PolarHBondContact O-N 3.45Å; V139-F142 PolarHBondContact O-N 3.2Å; K140-F142 PolarHBondContact O-N 3.25Å; F142-E144 VanDerWaalsContact C-N 3.35Å; F142-R146 PolarHBondContact O-N 3.37Å
143	L	34.2	Very low	34.8	Very low	122 Å²	122	81.8 Å²	81.8	64%	0.639	44%	0.435	S	S	*	.	H	α-helix	trans	-69.2	-33.8	177	-71	169.8	0	0	0	112.2	V139	V139-L143 HydrophobicContact CG1-CD1 4.39Å; V139-L143 PolarHBondContact O-N 2.77Å
144	E	41.4	Very low	34.9	Very low	64 Å²	64	78.6 Å²	78.6	30%	0.299	42%	0.415	S	S	.	.	H	α-helix	trans	-73.1	-36.5	177.6	-70.9	172.8	-177.3	0	0	111.9	K140 F142 I148 Y225	K140-E144 WeakPolarHBondContact CE-OE1 3.49Å; K140-E144 VanDerWaalsContact CG-OE1 3.25Å; K140-E144 WeakPolarHBondContact CG-OE1 3.18Å; K140-E144 WeakPolarHBondContact O-CB 3.44Å; K140-E144 WeakPolarHBondContact O-CG 3.2Å; K140-E144 PolarHBondContact O-N 3.35Å; F142-E144 VanDerWaalsContact C-N 3.35Å; E144-I148 WeakPolarHBondContact O-CD1 3.42Å; E144-I148 VanDerWaalsContact O-CG1 3.31Å; E144-I148 WeakPolarHBondContact O-CG1 3.42Å; E144-I148 PolarHBondContact O-N 3.21Å; E144-Y225 VanDerWaalsContact OE1-CE1 3.32Å; E144-Y225 WeakPolarHBondContact OE1-CE1 3.45Å
145	F	38.7	Very low	34.9	Very low	81 Å²	81	79.2 Å²	79.2	36%	0.355	41%	0.412	S	S	.	.	H	α-helix	trans	-72	-34.7	179.9	-152.7	-97	0	0	0	113.6	W141 C147 I148 F149	W141-F145 WeakPolarHBondContact O-CB 3.49Å; W141-F145 PolarHBondContact O-N 3.44Å; F145-C147 VanDerWaalsContact C-N 3.32Å; F145-C147 PolarHBondContact O-N 2.94Å; F145-I148 PolarHBondContact O-N 3.2Å; F145-F149 PolarHBondContact O-N 3.2Å
146	R	35.2	Very low	34.7	Very low	171 Å²	171	80.5 Å²	80.5	65%	0.645	41%	0.413	S	S	*	.	H	α-helix	trans	-65.1	-34.7	178.3	-143.4	172.7	91.6	141.1	3.6	112.6	F142 S150	F142-R146 PolarHBondContact O-N 3.37Å; R146-S150 WeakPolarHBondContact O-CB 2.86Å; R146-S150 PolarHBondContact O-N 2.8Å; R146-S150 PolarHBondContact O-OG 2.83Å
147	C	35.3	Very low	34.4	Very low	62 Å²	62	82.8 Å²	82.8	42%	0.419	42%	0.42	S	S	.	.	H	α-helix	trans	-69	-41.4	172.2	-81.4	0	0	0	0	112.2	F145 S150 L151	F145-C147 VanDerWaalsContact C-N 3.32Å; F145-C147 PolarHBondContact O-N 2.94Å; C147-S150 PolarHBondContact O-N 3.46Å; C147-L151 WeakPolarHBondContact O-CB 3.45Å; C147-L151 WeakPolarHBondContact O-CD1 3.18Å; C147-L151 VanDerWaalsContact O-CG 3.3Å; C147-L151 WeakPolarHBondContact O-CG 3.43Å; C147-L151 PolarHBondContact O-N 3.4Å
148	I	39.8	Very low	34.2	Very low	97 Å²	97	82.2 Å²	82.2	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-68.2	-41	-179.4	-66.1	165.6	0	0	0	111.3	E144 F145 L151 A152	E144-I148 WeakPolarHBondContact O-CD1 3.42Å; E144-I148 VanDerWaalsContact O-CG1 3.31Å; E144-I148 WeakPolarHBondContact O-CG1 3.42Å; E144-I148 PolarHBondContact O-N 3.21Å; F145-I148 PolarHBondContact O-N 3.2Å; I148-L151 PolarHBondContact O-N 3.43Å; I148-A152 VanDerWaalsContact O-CB 3.31Å; I148-A152 WeakPolarHBondContact O-CB 3.42Å; I148-A152 PolarHBondContact O-N 3.04Å
149	F	37.3	Very low	34.3	Very low	36 Å²	36	86.4 Å²	86.4	16%	0.158	44%	0.441	C	S	.	.	H	α-helix	trans	-66	-39.8	176.7	-168.3	-91.8	0	0	0	111.9	I15 V36 F145 L151 A152 M153	I15-F149 HydrophobicContact CD1-CD1 3.27Å; I15-F149 HydrophobicContact CD1-CE1 3.19Å; I15-F149 HydrophobicContact CD1-CG 4.29Å; I15-F149 HydrophobicContact CD1-CZ 4.14Å; V36-F149 HydrophobicContact CB-CE2 4.41Å; V36-F149 HydrophobicContact CG1-CD2 4.33Å; V36-F149 HydrophobicContact CG1-CE2 3.85Å; V36-F149 HydrophobicContact CG2-CE2 4.33Å; F145-F149 PolarHBondContact O-N 3.2Å; F149-L151 VanDerWaalsContact C-N 3.32Å; F149-L151 PolarHBondContact O-N 2.73Å; F149-A152 PolarHBondContact O-N 3.46Å; F149-M153 HydrophobicContact CD1-CG 4.32Å; F149-M153 HydrophobicContact CE1-CG 3.98Å; F149-M153 HydrophobicContact CZ-CG 4.35Å; F149-M153 HydrophobicContact CZ-SD 4.45Å; F149-M153 WeakPolarHBondContact O-CG 2.88Å; F149-M153 PolarHBondContact O-N 2.87Å; F149-M153 VanDerWaalsContact O-N 3.17Å
150	S	37.1	Very low	34.1	Very low	69 Å²	69	89.1 Å²	89.1	48%	0.483	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-37.4	175.9	-57.2	0	0	0	0	112	R146 C147 S154	R146-S150 WeakPolarHBondContact O-CB 2.86Å; R146-S150 PolarHBondContact O-N 2.8Å; R146-S150 PolarHBondContact O-OG 2.83Å; C147-S150 PolarHBondContact O-N 3.46Å; S150-S154 PolarHBondContact O-N 3.18Å; S150-S154 PolarHBondContact O-OG 3.08Å; S150-S154 VanDerWaalsContact O-OG 3.09Å
151	L	36.8	Very low	33.8	Very low	113 Å²	113	90.8 Å²	90.8	59%	0.592	47%	0.466	S	S	*	.	H	α-helix	trans	-78	-34.5	178.8	-74.7	163.1	0	0	0	113.5	C147 I148 F149 S154 S155	C147-L151 WeakPolarHBondContact O-CB 3.45Å; C147-L151 WeakPolarHBondContact O-CD1 3.18Å; C147-L151 VanDerWaalsContact O-CG 3.3Å; C147-L151 WeakPolarHBondContact O-CG 3.43Å; C147-L151 PolarHBondContact O-N 3.4Å; I148-L151 PolarHBondContact O-N 3.43Å; F149-L151 VanDerWaalsContact C-N 3.32Å; F149-L151 PolarHBondContact O-N 2.73Å; L151-S154 PolarHBondContact O-N 2.61Å; L151-S155 PolarHBondContact O-N 3.48Å
152	A	32.1	Very low	33.2	Very low	45 Å²	45	93.4 Å²	93.4	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-70.2	-34.3	177.6	0	0	0	0	0	112.5	I148 F149 S155 H156	I148-A152 VanDerWaalsContact O-CB 3.31Å; I148-A152 WeakPolarHBondContact O-CB 3.42Å; I148-A152 PolarHBondContact O-N 3.04Å; F149-A152 PolarHBondContact O-N 3.46Å; A152-S155 PolarHBondContact O-OG 3.37Å; A152-H156 PolarHBondContact O-N 3.33Å
153	M	30.6	Very low	33.3	Very low	45 Å²	45	96.6 Å²	96.6	22%	0.222	51%	0.513	C	S	.	.	H	α-helix	trans	-67.2	-39.8	170	-67.9	-61.4	-64.2	0	0	110.8	F149 S155 H156 F157	F149-M153 HydrophobicContact CD1-CG 4.32Å; F149-M153 HydrophobicContact CE1-CG 3.98Å; F149-M153 HydrophobicContact CZ-CG 4.35Å; F149-M153 HydrophobicContact CZ-SD 4.45Å; F149-M153 WeakPolarHBondContact O-CG 2.88Å; F149-M153 PolarHBondContact O-N 2.87Å; F149-M153 VanDerWaalsContact O-N 3.17Å; M153-S155 PolarHBondContact O-N 3.49Å; M153-H156 PolarHBondContact O-N 3.47Å; M153-F157 HydrophobicContact CE-CE2 4.16Å; M153-F157 WeakPolarHBondContact O-CD2 3.38Å; M153-F157 PolarHBondContact O-N 3.16Å; M153-F157 VanDerWaalsContact O-N 3.12Å
154	S	34.9	Very low	32.9	Very low	44 Å²	44	99.7 Å²	99.7	31%	0.308	52%	0.524	S	S	.	.	H	α-helix	trans	-65.4	-31.6	175.8	-61.3	0	0	0	0	114.4	S150 L151 T158	S150-S154 PolarHBondContact O-N 3.18Å; S150-S154 PolarHBondContact O-OG 3.08Å; S150-S154 VanDerWaalsContact O-OG 3.09Å; L151-S154 PolarHBondContact O-N 2.61Å; S154-T158 WeakPolarHBondContact O-CG2 3.1Å; S154-T158 PolarHBondContact O-N 3.49Å; S154-T158 PolarHBondContact O-OG1 3.05Å
155	S	31.2	Very low	32.5	Very low	59 Å²	59	106.2 Å²	106.2	41%	0.413	55%	0.554	S	S	.	*	H	α-helix	trans	-75.1	-29.2	177.1	59.5	0	0	0	0	113.5	L151 A152 M153 T158	L151-S155 PolarHBondContact O-N 3.48Å; A152-S155 PolarHBondContact O-OG 3.37Å; M153-S155 PolarHBondContact O-N 3.49Å; S155-T158 WeakPolarHBondContact CA-OG1 3.36Å; S155-T158 PolarHBondContact O-OG1 3.08Å; S155-T158 VanDerWaalsContact O-OG1 3.1Å
156	H	27	Very low	32.3	Very low	107 Å²	107	105.9 Å²	105.9	50%	0.495	57%	0.574	S	S	.	*	H	α-helix	trans	-78.9	-33.5	173.7	-92.7	-62.4	0	0	0	112.6	A152 M153 T158 Q159	A152-H156 PolarHBondContact O-N 3.33Å; M153-H156 PolarHBondContact O-N 3.47Å; H156-T158 VanDerWaalsContact C-N 3.26Å; H156-T158 PolarHBondContact O-N 2.8Å; H156-Q159 PolarHBondContact O-N 3.5Å
157	F	27.3	Very low	32.1	Very low	108 Å²	108	104.9 Å²	104.9	47%	0.474	58%	0.58	S	S	.	*	H	α-helix	trans	-69.1	-20	175.2	-95.4	-84	0	0	0	114.1	M153	M153-F157 HydrophobicContact CE-CE2 4.16Å; M153-F157 WeakPolarHBondContact O-CD2 3.38Å; M153-F157 PolarHBondContact O-N 3.16Å; M153-F157 VanDerWaalsContact O-N 3.12Å
158	T	30.3	Very low	32	Very low	111 Å²	111	110.1 Å²	110.1	68%	0.681	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-13.6	-179.8	41.3	0	0	0	0	113.9	S154 S155 H156	S154-T158 WeakPolarHBondContact O-CG2 3.1Å; S154-T158 PolarHBondContact O-N 3.49Å; S154-T158 PolarHBondContact O-OG1 3.05Å; S155-T158 WeakPolarHBondContact CA-OG1 3.36Å; S155-T158 PolarHBondContact O-OG1 3.08Å; S155-T158 VanDerWaalsContact O-OG1 3.1Å; H156-T158 VanDerWaalsContact C-N 3.26Å; H156-T158 PolarHBondContact O-N 2.8Å
159	Q	34	Very low	31.7	Very low	146 Å²	146	110.2 Å²	110.2	68%	0.682	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-24.2	-177	-80.9	-176.8	-34.3	0	0	114.4	H156	H156-Q159 PolarHBondContact O-N 3.5Å
160	D	28.2	Very low	31.5	Very low	132 Å²	132	111.6 Å²	111.6	71%	0.706	62%	0.618	S	S	*	*	S	Bend	trans	-123	4.5	-167	-70.3	-39.1	0	0	0	117.2
161	L	26.9	Very low	31.1	Very low	141 Å²	141	114.8 Å²	114.8	74%	0.738	62%	0.623	S	S	*	*			trans	-142.8	104	175.7	-76.8	169.5	0	0	0	113.9
162	L	25.1	Very low	31	Very low	159 Å²	159	112.5 Å²	112.5	83%	0.832	62%	0.615	S	S	*	*			trans	-150.5	128.5	140.9	-100.9	124.5	0	0	0	106.8
163	P	36.1	Very low	31	Very low	116 Å²	116	116.1 Å²	116.1	75%	0.753	62%	0.622	S	S	*	*			cis	-134.4	146.2	42.3	37.1	-20.3	0	0	0	115
164	E	24.6	Very low	31.1	Very low	187 Å²	187	122.1 Å²	122.1	87%	0.874	64%	0.642	S	S	*	*			trans	-171.6	132.1	138.1	-107.4	173.1	-162.4	0	0	110.3	G166	E164-G166 PolarHBondContact O-N 3.14Å
165	Q	34.4	Very low	30.9	Very low	201 Å²	201	124 Å²	124	94%	0.939	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	127	176.6	-112.4	90.6	-5	0	0	110.9
166	G	33.5	Very low	30.9	Very low	74 Å²	74	126.7 Å²	126.7	76%	0.763	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.3	-13.6	158.9	0	0	0	0	0	118.3	E164	E164-G166 PolarHBondContact O-N 3.14Å
167	I	31.6	Very low	31.1	Very low	151 Å²	151	132.2 Å²	132.2	77%	0.774	67%	0.674	S	S	*	*			trans	-120.8	37.6	-174.1	-40.1	-179.9	0	0	0	112.1
168	Q	32.8	Very low	31.2	Very low	171 Å²	171	130.3 Å²	130.3	80%	0.799	68%	0.684	S	S	*	*	S	Bend	trans	-84.2	-13	172.7	-75.6	-166.9	-9.9	0	0	113.5
169	D	33.3	Very low	31.2	Very low	100 Å²	100	131.7 Å²	131.7	54%	0.535	68%	0.678	S	S	.	*	S	Bend	trans	-112.5	-0.6	-160	-135.8	23.6	0	0	0	115.5	K173	D169-K173 VanDerWaalsContact O-CD 3.23Å; D169-K173 WeakPolarHBondContact O-CD 3.42Å; D169-K173 WeakPolarHBondContact O-CG 3.36Å; D169-K173 IonicContact OD1-NZ 3.72Å; D169-K173 WeakPolarHBondContact OD2-CE 3.07Å; D169-K173 IonicContact OD2-NZ 3Å; D169-K173 PolarHBondContact OD2-NZ 3.11Å
170	A	33.4	Very low	31	Very low	65 Å²	65	127.2 Å²	127.2	54%	0.537	67%	0.672	S	S	.	*	S	Bend	trans	-96.5	-33.6	-177.4	0	0	0	0	0	114	R174	A170-R174 PolarHBondContact O-N 3.49Å
171	F	29.5	Very low	31.3	Very low	136 Å²	136	128.9 Å²	128.9	60%	0.596	68%	0.68	S	S	*	*	H	α-helix	trans	-76.8	-42.7	-176.4	-140.8	-97.1	0	0	0	113.6	K173 R174 I175	F171-K173 VanDerWaalsContact C-N 3.33Å; F171-K173 PolarHBondContact O-N 3.22Å; F171-R174 PolarHBondContact O-N 3.25Å; F171-I175 HydrophobicContact CD1-CD1 4.22Å; F171-I175 HydrophobicContact CE1-CD1 4.25Å; F171-I175 PolarHBondContact O-N 3.43Å
172	P	34.8	Very low	31.5	Very low	65 Å²	65	127.2 Å²	127.2	42%	0.422	68%	0.679	S	S	.	*	H	α-helix	trans	-63.9	-37.6	175.7	-21	33.1	0	0	0	112.3	R174 L176	P172-R174 VanDerWaalsContact C-N 3.32Å; P172-R174 PolarHBondContact O-N 3.19Å; P172-L176 WeakPolarHBondContact O-CB 3.41Å; P172-L176 WeakPolarHBondContact O-CD1 3.37Å; P172-L176 WeakPolarHBondContact O-CG 3.24Å; P172-L176 PolarHBondContact O-N 3.22Å
173	K	32.2	Very low	31.6	Very low	120 Å²	120	123.5 Å²	123.5	52%	0.522	68%	0.679	S	S	.	*	H	α-helix	trans	-67.8	-28.4	179.1	-70.7	-177.7	-168.4	163	0	113.1	D169 F171 R177	D169-K173 VanDerWaalsContact O-CD 3.23Å; D169-K173 WeakPolarHBondContact O-CD 3.42Å; D169-K173 WeakPolarHBondContact O-CG 3.36Å; D169-K173 IonicContact OD1-NZ 3.72Å; D169-K173 WeakPolarHBondContact OD2-CE 3.07Å; D169-K173 IonicContact OD2-NZ 3Å; D169-K173 PolarHBondContact OD2-NZ 3.11Å; F171-K173 VanDerWaalsContact C-N 3.33Å; F171-K173 PolarHBondContact O-N 3.22Å; K173-R177 WeakPolarHBondContact O-CB 3.39Å; K173-R177 PolarHBondContact O-N 2.89Å
174	R	31.3	Very low	31.5	Very low	171 Å²	171	125.2 Å²	125.2	65%	0.645	68%	0.681	S	S	*	*	H	α-helix	trans	-82.7	-34.9	179.8	-144.3	173.2	-179.9	-175.7	-3.6	112.3	E21 A170 F171 P172 G178	E21-R174 IonicContact OE1-CZ 3.5Å; E21-R174 IonicContact OE1-NH1 2.81Å; E21-R174 PolarHBondContact OE1-NH1 3.36Å; E21-R174 IonicContact OE1-NH2 2.69Å; A170-R174 PolarHBondContact O-N 3.49Å; F171-R174 PolarHBondContact O-N 3.25Å; P172-R174 VanDerWaalsContact C-N 3.32Å; P172-R174 PolarHBondContact O-N 3.19Å; R174-G178 PolarHBondContact O-N 3.44Å
175	I	31.2	Very low	31.6	Very low	85 Å²	85	123.6 Å²	123.6	44%	0.436	68%	0.679	S	S	.	*	H	α-helix	trans	-63.7	-46.2	167.3	-65.3	-175.7	0	0	0	109.6	F171 R177 G178 Y179	F171-I175 HydrophobicContact CD1-CD1 4.22Å; F171-I175 HydrophobicContact CE1-CD1 4.25Å; F171-I175 PolarHBondContact O-N 3.43Å; I175-R177 PolarHBondContact O-N 3.27Å; I175-G178 PolarHBondContact O-N 3.03Å; I175-Y179 HydrophobicContact CG2-CD2 3.94Å; I175-Y179 HydrophobicContact CG2-CE2 3.99Å; I175-Y179 VanDerWaalsContact O-CD2 3.26Å; I175-Y179 WeakPolarHBondContact O-CD2 3.28Å; I175-Y179 PolarHBondContact O-N 2.8Å
176	L	31.6	Very low	31.2	Very low	115 Å²	115	121.4 Å²	121.4	60%	0.602	67%	0.674	S	S	*	*	H	α-helix	trans	-66.3	-33	179.1	-75.1	164.3	0	0	0	113.9	P172 G178 Y179 G180	P172-L176 WeakPolarHBondContact O-CB 3.41Å; P172-L176 WeakPolarHBondContact O-CD1 3.37Å; P172-L176 WeakPolarHBondContact O-CG 3.24Å; P172-L176 PolarHBondContact O-N 3.22Å; L176-G178 VanDerWaalsContact C-N 3.32Å; L176-G178 PolarHBondContact O-N 3.28Å; L176-Y179 PolarHBondContact O-N 3.47Å; L176-G180 PolarHBondContact O-N 3.3Å
177	R	30.6	Very low	30.9	Very low	223 Å²	223	126 Å²	126	84%	0.842	68%	0.68	S	S	*	*	H	α-helix	trans	-70.6	-26.9	174.8	-160	-177.1	-83.2	-136.8	1.5	112.6	K173 I175	K173-R177 WeakPolarHBondContact O-CB 3.39Å; K173-R177 PolarHBondContact O-N 2.89Å; I175-R177 PolarHBondContact O-N 3.27Å
178	G	29.5	Very low	30.7	Very low	67 Å²	67	130.1 Å²	130.1	69%	0.691	69%	0.687	S	S	*	*	H	α-helix	trans	-79.1	-19.3	173.7	0	0	0	0	0	114.7	R174 I175 L176	R174-G178 PolarHBondContact O-N 3.44Å; I175-G178 PolarHBondContact O-N 3.03Å; L176-G178 VanDerWaalsContact C-N 3.32Å; L176-G178 PolarHBondContact O-N 3.28Å
179	Y	31.7	Very low	30.3	Very low	140 Å²	140	129.9 Å²	129.9	55%	0.549	69%	0.691	S	S	.	*	S	Bend	trans	-101.6	9.6	174.3	-74.8	-78	0	0	0	113.4	I175 L176 N181 C182	I175-Y179 HydrophobicContact CG2-CD2 3.94Å; I175-Y179 HydrophobicContact CG2-CE2 3.99Å; I175-Y179 VanDerWaalsContact O-CD2 3.26Å; I175-Y179 WeakPolarHBondContact O-CD2 3.28Å; I175-Y179 PolarHBondContact O-N 2.8Å; L176-Y179 PolarHBondContact O-N 3.47Å; Y179-N181 PolarHBondContact O-N 3.42Å; Y179-C182 PolarHBondContact O-N 3.14Å; Y179-C182 VanDerWaalsContact O-N 3.1Å
180	G	29.8	Very low	29.9	Very low	53 Å²	53	136.7 Å²	136.7	55%	0.546	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.8	3.5	-177.9	0	0	0	0	0	117	L176	L176-G180 PolarHBondContact O-N 3.3Å
181	N	33.6	Very low	29.7	Very low	167 Å²	167	142 Å²	142	89%	0.893	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	6.1	172.4	-73	-8.4	0	0	0	113.4	Y179	Y179-N181 PolarHBondContact O-N 3.42Å
182	C	31.5	Very low	29.7	Very low	105 Å²	105	142.4 Å²	142.4	71%	0.709	73%	0.728	S	S	*	*	S	Bend	trans	-116.5	105.3	169.5	-70.1	0	0	0	0	108	Y179	Y179-C182 PolarHBondContact O-N 3.14Å; Y179-C182 VanDerWaalsContact O-N 3.1Å
183	G	26.2	Very low	29.4	Very low	81 Å²	81	149 Å²	149	84%	0.835	75%	0.745	S	S	*	*			trans	-45.5	129	-162.9	0	0	0	0	0	116.6
184	L	35.3	Very low	29.3	Very low	153 Å²	153	152.8 Å²	152.8	80%	0.801	76%	0.764	S	S	*	*			trans	-83.3	116.5	154.6	-83.8	155.7	0	0	0	106.8
185	D	25.7	Very low	29.5	Very low	152 Å²	152	148.6 Å²	148.6	81%	0.813	76%	0.761	S	S	*	*			trans	-171.2	91	151.5	-88.5	-26.8	0	0	0	108.8
186	N	27.2	Very low	29.3	Very low	156 Å²	156	152.6 Å²	152.6	83%	0.834	78%	0.782	S	S	*	*	S	Bend	trans	162.6	86.1	144.3	-84.3	-35.7	0	0	0	108
187	L	27.3	Very low	29.3	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	79%	0.787	S	S	*	*			trans	-176.4	95.8	144.7	-96.1	157.5	0	0	0	107.1	L189	L187-L189 PolarHBondContact O-N 2.81Å; L187-L189 VanDerWaalsContact O-N 3.14Å
188	Y	25.7	Very low	29.4	Very low	237 Å²	237	148.9 Å²	148.9	93%	0.929	78%	0.776	S	S	*	*			trans	-64.9	106.8	167.2	-86.1	-93.6	0	0	0	108.8	R190	Y188-R190 PolarHBondContact O-N 3.34Å
189	L	25.8	Very low	29.5	Very low	167 Å²	167	150.4 Å²	150.4	87%	0.874	78%	0.775	S	S	*	*			trans	-72.6	111.4	164.8	-86.2	154.4	0	0	0	108.5	L187	L187-L189 PolarHBondContact O-N 2.81Å; L187-L189 VanDerWaalsContact O-N 3.14Å
190	R	23.8	Very low	29.5	Very low	242 Å²	242	152.8 Å²	152.8	91%	0.913	79%	0.788	S	S	*	*			trans	-79.2	121.4	162.6	-142.6	-179.5	-169.7	-161.7	1.8	107.3	Y188	Y188-R190 PolarHBondContact O-N 3.34Å
191	K	30.6	Very low	29.6	Very low	178 Å²	178	158.1 Å²	158.1	77%	0.774	80%	0.803	S	S	*	*			trans	-67	156.4	176.3	-70.9	177.1	172.3	179.5	0	110.3
192	D	28.9	Very low	29.4	Very low	144 Å²	144	158.6 Å²	158.6	77%	0.77	80%	0.8	S	S	*	*			trans	108.2	78.4	163.2	-46.6	-21.4	0	0	0	115
193	W	28.4	Very low	29.7	Very low	203 Å²	203	163 Å²	163	77%	0.769	81%	0.807	S	S	*	*			trans	-143.5	119.3	157	-69.3	76.6	0	0	0	108.8	E198	W193-E198 HydrophobicContact CE3-CB 4.39Å; W193-E198 HydrophobicContact CZ3-CB 3.94Å; W193-E198 HydrophobicContact CZ3-CG 4.45Å; W193-E198 WeakPolarHBondContact CZ3-OE2 3.5Å
194	E	30.8	Very low	30.1	Very low	200 Å²	200	166.6 Å²	166.6	94%	0.935	81%	0.807	S	S	*	*			trans	-107.1	6.7	-169.4	-79.7	-172.2	158.2	0	0	115.9
195	S	33.8	Very low	29.7	Very low	83 Å²	83	166.8 Å²	166.8	58%	0.58	80%	0.798	S	S	*	*			trans	-160.9	164	167.4	84.6	0	0	0	0	115.6	D197	S195-D197 PolarHBondContact O-N 2.86Å
196	L	27.4	Very low	29.9	Very low	168 Å²	168	167 Å²	167	88%	0.88	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-2.5	-171.7	-155.1	78.3	0	0	0	114.8
197	D	32.8	Very low	30.1	Very low	132 Å²	132	162 Å²	162	71%	0.706	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-3.9	-170.7	-83.8	-40	0	0	0	116	S195 C199	S195-D197 PolarHBondContact O-N 2.86Å; D197-C199 VanDerWaalsContact C-N 3.34Å; D197-C199 PolarHBondContact O-N 3.39Å
198	E	32	Very low	30.1	Very low	129 Å²	129	159 Å²	159	60%	0.603	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-81.5	-4.7	175.5	-82.4	-178.2	134	0	0	114.7	W193 K200	W193-E198 HydrophobicContact CE3-CB 4.39Å; W193-E198 HydrophobicContact CZ3-CB 3.94Å; W193-E198 HydrophobicContact CZ3-CG 4.45Å; W193-E198 WeakPolarHBondContact CZ3-OE2 3.5Å; E198-K200 PolarHBondContact O-N 3.5Å
199	C	31	Very low	30.2	Very low	99 Å²	99	153.7 Å²	153.7	67%	0.669	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-80	-9.1	-175.5	-167	0	0	0	0	114.7	D197	D197-C199 VanDerWaalsContact C-N 3.34Å; D197-C199 PolarHBondContact O-N 3.39Å
200	K	31	Very low	30.3	Very low	190 Å²	190	152.9 Å²	152.9	83%	0.826	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-91.5	-0.9	-173.5	-78	-179.8	-178.7	165.7	0	115.8	E198	E198-K200 PolarHBondContact O-N 3.5Å
201	L	33.9	Very low	30.5	Very low	164 Å²	164	145.6 Å²	145.6	86%	0.859	73%	0.733	S	S	*	*	S	Bend	trans	-131.5	60.3	-178.7	-91.8	161.8	0	0	0	113
202	Q	27.6	Very low	30.4	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	72%	0.715	S	S	*	*			trans	-160.3	122.6	145.8	-118.4	162.9	-5.7	0	0	112.5	D204	Q202-D204 PolarHBondContact O-N 3.43Å
203	K	38.9	Very low	30.3	Very low	197 Å²	197	135.9 Å²	135.9	86%	0.857	70%	0.699	S	S	*	*			trans	-70.3	114.9	168.6	-73.2	174	174.3	175.1	0	108.4
204	D	34.3	Very low	30.3	Very low	156 Å²	156	129.6 Å²	129.6	83%	0.834	68%	0.683	S	S	*	*			trans	168	112.8	136.7	-88.5	-16.9	0	0	0	109.4	Q202	Q202-D204 PolarHBondContact O-N 3.43Å
205	Y	27.3	Very low	30.2	Very low	157 Å²	157	123.7 Å²	123.7	62%	0.616	66%	0.661	S	S	*	*			trans	-133.7	103.5	-177.6	-101.3	-83.8	0	0	0	112.4	L208	Y205-L208 HydrophobicContact CD1-CB 3.94Å; Y205-L208 HydrophobicContact CD1-CD1 3.51Å; Y205-L208 HydrophobicContact CD1-CG 3.81Å; Y205-L208 HydrophobicContact CE1-CB 4.42Å; Y205-L208 HydrophobicContact CE1-CD1 3.57Å; Y205-L208 HydrophobicContact CE1-CG 3.83Å; Y205-L208 HydrophobicContact CG-CD1 4.06Å
206	N	29.8	Very low	29.9	Very low	157 Å²	157	125.6 Å²	125.6	84%	0.84	66%	0.66	S	S	*	*	S	Bend	trans	-108.6	1.4	158.1	-107	-14	0	0	0	112.7
207	G	31.5	Very low	29.8	Very low	50 Å²	50	120.9 Å²	120.9	52%	0.515	64%	0.642	S	S	.	*	S	Bend	trans	-92	-17.7	-177.3	0	0	0	0	0	116.3	N209	G207-N209 VanDerWaalsContact C-N 3.32Å; G207-N209 PolarHBondContact O-N 3.45Å
208	L	27.6	Very low	29.6	Very low	109 Å²	109	121.7 Å²	121.7	57%	0.571	64%	0.639	S	S	*	*	H	α-helix	trans	-73.5	-22.1	-176.4	-107.7	157.4	0	0	0	113.3	Y205 Q210 S212	Y205-L208 HydrophobicContact CD1-CB 3.94Å; Y205-L208 HydrophobicContact CD1-CD1 3.51Å; Y205-L208 HydrophobicContact CD1-CG 3.81Å; Y205-L208 HydrophobicContact CE1-CB 4.42Å; Y205-L208 HydrophobicContact CE1-CD1 3.57Å; Y205-L208 HydrophobicContact CE1-CG 3.83Å; Y205-L208 HydrophobicContact CG-CD1 4.06Å; L208-Q210 PolarHBondContact O-N 3.13Å; L208-S212 WeakPolarHBondContact O-CB 3.44Å; L208-S212 PolarHBondContact O-N 2.92Å
209	N	27.5	Very low	29.4	Very low	125 Å²	125	119.5 Å²	119.5	67%	0.668	63%	0.631	S	S	*	*	H	α-helix	trans	-73.7	-22	-178.5	-89.3	-19.8	0	0	0	114.2	G207 S213	G207-N209 VanDerWaalsContact C-N 3.32Å; G207-N209 PolarHBondContact O-N 3.45Å; N209-S213 WeakPolarHBondContact O-CB 3.42Å; N209-S213 PolarHBondContact O-N 3.27Å; N209-S213 PolarHBondContact O-OG 3.45Å
210	Q	28.3	Very low	29.1	Very low	150 Å²	150	121.8 Å²	121.8	70%	0.701	63%	0.629	S	S	*	*	H	α-helix	trans	-87.3	-32.2	179.8	-76.7	-179.3	-0.8	0	0	113.5	L208 S213 T214	L208-Q210 PolarHBondContact O-N 3.13Å; Q210-S213 PolarHBondContact O-OG 3.17Å; Q210-T214 PolarHBondContact O-N 2.88Å; Q210-T214 PolarHBondContact O-OG1 3.5Å
211	C	27.7	Very low	28.9	Very low	88 Å²	88	117.9 Å²	117.9	60%	0.595	61%	0.614	S	S	*	*	H	α-helix	trans	-75.7	-36.3	175.2	-161.3	0	0	0	0	111.4	T215	C211-T215 WeakPolarHBondContact O-CB 3.43Å; C211-T215 PolarHBondContact O-N 3.1Å; C211-T215 VanDerWaalsContact O-N 3.16Å; C211-T215 PolarHBondContact O-OG1 3.03Å
212	S	27.3	Very low	28.7	Very low	56 Å²	56	117.3 Å²	117.3	39%	0.392	60%	0.602	S	S	.	*	H	α-helix	trans	-65.6	-42.1	173.3	-175.7	0	0	0	0	112.1	L208 T214 T215 H216	L208-S212 WeakPolarHBondContact O-CB 3.44Å; L208-S212 PolarHBondContact O-N 2.92Å; S212-T214 PolarHBondContact O-N 3.44Å; S212-T215 PolarHBondContact O-N 3.06Å; S212-H216 VanDerWaalsContact O-CB 3.3Å; S212-H216 WeakPolarHBondContact O-CB 3.14Å; S212-H216 PolarHBondContact O-N 3.3Å
213	S	27.8	Very low	28.7	Very low	62 Å²	62	110.9 Å²	110.9	43%	0.434	57%	0.573	S	S	.	*	H	α-helix	trans	-67	-36	179.3	68.1	0	0	0	0	113.3	N209 Q210 S217	N209-S213 WeakPolarHBondContact O-CB 3.42Å; N209-S213 PolarHBondContact O-N 3.27Å; N209-S213 PolarHBondContact O-OG 3.45Å; Q210-S213 PolarHBondContact O-OG 3.17Å; S213-S217 VanDerWaalsContact O-CB 3.24Å; S213-S217 WeakPolarHBondContact O-CB 3.44Å; S213-S217 PolarHBondContact O-N 3.43Å
214	T	27.6	Very low	28	Very low	72 Å²	72	108 Å²	108	44%	0.442	56%	0.56	S	S	.	*	H	α-helix	trans	-72.7	-34.7	178.5	-49.1	0	0	0	0	111.8	Q210 S212 K218	Q210-T214 PolarHBondContact O-N 2.88Å; Q210-T214 PolarHBondContact O-OG1 3.5Å; S212-T214 PolarHBondContact O-N 3.44Å; T214-K218 WeakPolarHBondContact O-CG 3.33Å; T214-K218 PolarHBondContact O-N 3.41Å
215	T	28	Very low	27.8	Very low	75 Å²	75	104.7 Å²	104.7	46%	0.46	54%	0.537	S	S	.	.	H	α-helix	trans	-74.7	-41.4	175.3	-51.7	0	0	0	0	111.2	C211 S212 S217 K218 I219	C211-T215 WeakPolarHBondContact O-CB 3.43Å; C211-T215 PolarHBondContact O-N 3.1Å; C211-T215 VanDerWaalsContact O-N 3.16Å; C211-T215 PolarHBondContact O-OG1 3.03Å; S212-T215 PolarHBondContact O-N 3.06Å; T215-S217 PolarHBondContact O-N 3.48Å; T215-K218 PolarHBondContact O-N 3.1Å; T215-I219 HydrophobicContact CG2-CD1 3.99Å; T215-I219 VanDerWaalsContact O-CG1 3.29Å; T215-I219 WeakPolarHBondContact O-CG1 3.45Å; T215-I219 PolarHBondContact O-N 3.35Å
216	H	27.7	Very low	27.9	Very low	123 Å²	123	100 Å²	100	57%	0.569	53%	0.525	S	S	*	.	H	α-helix	trans	-62.2	-39.5	171.5	-94.8	-174.9	0	0	0	112.6	S212 K218 I219 F220	S212-H216 VanDerWaalsContact O-CB 3.3Å; S212-H216 WeakPolarHBondContact O-CB 3.14Å; S212-H216 PolarHBondContact O-N 3.3Å; H216-K218 VanDerWaalsContact C-N 3.34Å; H216-K218 PolarHBondContact O-N 3.24Å; H216-I219 PolarHBondContact O-N 3.36Å; H216-F220 VanDerWaalsContact O-CB 3.24Å; H216-F220 WeakPolarHBondContact O-CB 3.4Å; H216-F220 PolarHBondContact O-N 3.49Å
217	S	26.5	Very low	27.7	Very low	70 Å²	70	98.4 Å²	98.4	49%	0.49	51%	0.51	S	S	.	.	H	α-helix	trans	-66.3	-35.3	178.2	-165.1	0	0	0	0	112.5	S213 T215 Q221	S213-S217 VanDerWaalsContact O-CB 3.24Å; S213-S217 WeakPolarHBondContact O-CB 3.44Å; S213-S217 PolarHBondContact O-N 3.43Å; T215-S217 PolarHBondContact O-N 3.48Å; S217-Q221 PolarHBondContact O-N 3.3Å
218	K	28.9	Very low	27.5	Very low	149 Å²	149	100.4 Å²	100.4	65%	0.648	51%	0.508	S	S	*	.	H	α-helix	trans	-74.2	-36.1	175.4	-70.4	174.4	-178.6	179.6	0	112.9	T214 T215 H216 Q221 Y222	T214-K218 WeakPolarHBondContact O-CG 3.33Å; T214-K218 PolarHBondContact O-N 3.41Å; T215-K218 PolarHBondContact O-N 3.1Å; H216-K218 VanDerWaalsContact C-N 3.34Å; H216-K218 PolarHBondContact O-N 3.24Å; K218-Q221 PolarHBondContact O-N 3.18Å; K218-Y222 PolarHBondContact O-N 2.65Å
219	I	26.9	Very low	27.5	Very low	83 Å²	83	101.3 Å²	101.3	43%	0.426	51%	0.508	S	S	.	.	H	α-helix	trans	-70.1	-35	173.2	-67.4	167.7	0	0	0	111.4	T215 H216 Q221 Y222 N223	T215-I219 HydrophobicContact CG2-CD1 3.99Å; T215-I219 VanDerWaalsContact O-CG1 3.29Å; T215-I219 WeakPolarHBondContact O-CG1 3.45Å; T215-I219 PolarHBondContact O-N 3.35Å; H216-I219 PolarHBondContact O-N 3.36Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 3Å; I219-Y222 WeakPolarHBondContact O-CB 3.43Å; I219-Y222 PolarHBondContact O-N 2.62Å; I219-N223 PolarHBondContact O-N 3.31Å; I219-N223 VanDerWaalsContact O-N 3.1Å
220	F	24.7	Very low	27.6	Very low	146 Å²	146	99.5 Å²	99.5	64%	0.64	50%	0.498	S	S	*	.	H	α-helix	trans	-66.4	-35.6	176.5	-158.8	-94.2	0	0	0	112.3	H216 K224	H216-F220 VanDerWaalsContact O-CB 3.24Å; H216-F220 WeakPolarHBondContact O-CB 3.4Å; H216-F220 PolarHBondContact O-N 3.49Å; F220-K224 PolarHBondContact O-N 3.04Å
221	Q	27.4	Very low	27.5	Very low	109 Å²	109	98 Å²	98	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-45.3	171.7	-75.4	-165.2	3	0	0	111.4	S217 K218 I219 N223 K224 Y225	S217-Q221 PolarHBondContact O-N 3.3Å; K218-Q221 PolarHBondContact O-N 3.18Å; I219-Q221 VanDerWaalsContact C-N 3.34Å; I219-Q221 PolarHBondContact O-N 3Å; Q221-N223 PolarHBondContact O-N 3.21Å; Q221-K224 WeakPolarHBondContact O-CB 3.37Å; Q221-K224 PolarHBondContact O-N 3.49Å; Q221-Y225 HydrophobicContact CB-CD2 4.36Å; Q221-Y225 HydrophobicContact CB-CE2 3.95Å; Q221-Y225 WeakPolarHBondContact O-CD2 3.42Å; Q221-Y225 PolarHBondContact O-N 2.83Å; Q221-Y225 VanDerWaalsContact O-N 3.08Å
222	Y	29.1	Very low	27.5	Very low	152 Å²	152	99.7 Å²	99.7	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-53.4	-48.3	176.1	179.7	-98.4	0	0	0	113.2	K218 I219 K224 Y225 V226	K218-Y222 PolarHBondContact O-N 2.65Å; I219-Y222 WeakPolarHBondContact O-CB 3.43Å; I219-Y222 PolarHBondContact O-N 2.62Å; Y222-K224 PolarHBondContact O-N 3.01Å; Y222-Y225 PolarHBondContact O-N 3.21Å; Y222-V226 HydrophobicContact CD1-CG2 4.46Å; Y222-V226 HydrophobicContact CE1-CG2 4.19Å; Y222-V226 WeakPolarHBondContact O-CG2 3.37Å; Y222-V226 PolarHBondContact O-N 3.48Å
223	N	27.3	Very low	27.6	Very low	43 Å²	43	98.6 Å²	98.6	23%	0.23	48%	0.484	C	S	.	.	H	α-helix	trans	-71.2	-26.9	-179.8	-72.1	-30.7	0	0	0	113.9	I219 Q221 K227 E501	I219-N223 PolarHBondContact O-N 3.31Å; I219-N223 VanDerWaalsContact O-N 3.1Å; Q221-N223 PolarHBondContact O-N 3.21Å; N223-K227 PolarHBondContact O-N 2.75Å; N223-E501 WeakPolarHBondContact CB-OE2 3.31Å
224	K	25.2	Very low	27.6	Very low	135 Å²	135	98.1 Å²	98.1	59%	0.587	48%	0.477	S	S	*	.	H	α-helix	trans	-68.7	-38.8	171.9	-170.1	175.8	-179.7	178.1	0	111.3	F220 Q221 Y222 I228	F220-K224 PolarHBondContact O-N 3.04Å; Q221-K224 WeakPolarHBondContact O-CB 3.37Å; Q221-K224 PolarHBondContact O-N 3.49Å; Y222-K224 PolarHBondContact O-N 3.01Å; K224-I228 HydrophobicContact CG-CD1 4.35Å; K224-I228 WeakPolarHBondContact O-CD1 3.39Å; K224-I228 VanDerWaalsContact O-CG1 3.32Å; K224-I228 WeakPolarHBondContact O-CG1 3.46Å; K224-I228 PolarHBondContact O-N 2.81Å
225	Y	28.7	Very low	27.7	Very low	87 Å²	87	99 Å²	99	34%	0.341	48%	0.478	S	S	.	.	H	α-helix	trans	-73.5	-34.8	177.9	-67.5	-64.1	0	0	0	112.9	E144 Q221 Y222 K227 I228 F229	E144-Y225 VanDerWaalsContact OE1-CE1 3.32Å; E144-Y225 WeakPolarHBondContact OE1-CE1 3.45Å; Q221-Y225 HydrophobicContact CB-CD2 4.36Å; Q221-Y225 HydrophobicContact CB-CE2 3.95Å; Q221-Y225 WeakPolarHBondContact O-CD2 3.42Å; Q221-Y225 PolarHBondContact O-N 2.83Å; Q221-Y225 VanDerWaalsContact O-N 3.08Å; Y222-Y225 PolarHBondContact O-N 3.21Å; Y225-K227 PolarHBondContact O-N 3.24Å; Y225-I228 PolarHBondContact O-N 3.49Å; Y225-F229 WeakPolarHBondContact O-CB 2.85Å; Y225-F229 PolarHBondContact O-N 3.18Å
226	V	29.6	Very low	27.8	Very low	60 Å²	60	100.6 Å²	100.6	36%	0.364	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-40.4	173.2	173.5	0	0	0	0	111.7	Y222 I228 F229 D230	Y222-V226 HydrophobicContact CD1-CG2 4.46Å; Y222-V226 HydrophobicContact CE1-CG2 4.19Å; Y222-V226 WeakPolarHBondContact O-CG2 3.37Å; Y222-V226 PolarHBondContact O-N 3.48Å; V226-I228 PolarHBondContact O-N 3.5Å; V226-F229 PolarHBondContact O-N 3.45Å; V226-D230 PolarHBondContact O-N 2.87Å
227	K	26.5	Very low	27.8	Very low	122 Å²	122	101.5 Å²	101.5	53%	0.53	48%	0.479	S	S	.	.	H	α-helix	trans	-65.4	-36.2	174.1	-85.8	175.8	178.1	163.7	0	113.5	N223 Y225 N231	N223-K227 PolarHBondContact O-N 2.75Å; Y225-K227 PolarHBondContact O-N 3.24Å; K227-N231 WeakPolarHBondContact O-CB 3.47Å; K227-N231 PolarHBondContact O-N 3.39Å; K227-N231 VanDerWaalsContact O-N 3.11Å; K227-N231 PolarHBondContact O-ND2 2.83Å
228	I	26.8	Very low	27.9	Very low	92 Å²	92	105.9 Å²	105.9	47%	0.472	48%	0.484	S	S	.	.	H	α-helix	trans	-71	-39.5	175.9	-66.7	166.2	0	0	0	109.8	K224 Y225 V226 N231 F232	K224-I228 HydrophobicContact CG-CD1 4.35Å; K224-I228 WeakPolarHBondContact O-CD1 3.39Å; K224-I228 VanDerWaalsContact O-CG1 3.32Å; K224-I228 WeakPolarHBondContact O-CG1 3.46Å; K224-I228 PolarHBondContact O-N 2.81Å; Y225-I228 PolarHBondContact O-N 3.49Å; V226-I228 PolarHBondContact O-N 3.5Å; I228-N231 PolarHBondContact O-N 3.46Å; I228-F232 WeakPolarHBondContact O-CB 3.4Å; I228-F232 PolarHBondContact O-N 3.22Å
229	F	27.8	Very low	28	Very low	129 Å²	129	103.1 Å²	103.1	57%	0.566	48%	0.477	S	S	*	.	H	α-helix	trans	-66	-40.3	176	-173	-96.4	0	0	0	112.9	Y225 V226 F232 S233	Y225-F229 WeakPolarHBondContact O-CB 2.85Å; Y225-F229 PolarHBondContact O-N 3.18Å; V226-F229 PolarHBondContact O-N 3.45Å; F229-F232 PolarHBondContact O-N 3.01Å; F229-S233 WeakPolarHBondContact O-CA 3.28Å; F229-S233 WeakPolarHBondContact O-CB 3.29Å; F229-S233 PolarHBondContact O-N 3.35Å; F229-S233 PolarHBondContact O-OG 3.29Å
230	D	29.3	Very low	28.1	Very low	86 Å²	86	101 Å²	101	46%	0.46	47%	0.466	S	S	.	.	H	α-helix	trans	-66.7	-41.9	174.1	-89.8	-21.7	0	0	0	111.5	V226 N234	V226-D230 PolarHBondContact O-N 2.87Å; D230-N234 VanDerWaalsContact O-CB 3.23Å; D230-N234 WeakPolarHBondContact O-CB 3.27Å; D230-N234 PolarHBondContact O-N 3.49Å; D230-N234 PolarHBondContact O-ND2 3.45Å
231	N	26.5	Very low	28.5	Very low	119 Å²	119	97.5 Å²	97.5	64%	0.636	46%	0.46	S	S	*	.	H	α-helix	trans	-67.1	-37.8	176.2	-79.5	-22.5	0	0	0	112.3	K227 I228 N234 L235	K227-N231 WeakPolarHBondContact O-CB 3.47Å; K227-N231 PolarHBondContact O-N 3.39Å; K227-N231 VanDerWaalsContact O-N 3.11Å; K227-N231 PolarHBondContact O-ND2 2.83Å; I228-N231 PolarHBondContact O-N 3.46Å; N231-N234 PolarHBondContact O-N 3.39Å; N231-L235 WeakPolarHBondContact O-CB 3.5Å; N231-L235 PolarHBondContact O-N 3.16Å
232	F	27.9	Very low	28.8	Very low	124 Å²	124	98.5 Å²	98.5	54%	0.544	47%	0.469	S	S	.	.	H	α-helix	trans	-77.1	-38.2	179.4	-157.4	-95.3	0	0	0	112.3	I228 F229 N234 L235 H236	I228-F232 WeakPolarHBondContact O-CB 3.4Å; I228-F232 PolarHBondContact O-N 3.22Å; F229-F232 PolarHBondContact O-N 3.01Å; F232-N234 VanDerWaalsContact C-N 3.27Å; F232-N234 PolarHBondContact O-N 3.47Å; F232-L235 PolarHBondContact O-N 2.82Å; F232-L235 VanDerWaalsContact O-N 3.16Å; F232-H236 VanDerWaalsContact O-CB 3.31Å; F232-H236 WeakPolarHBondContact O-CB 3.44Å; F232-H236 PolarHBondContact O-N 3.49Å
233	S	29.1	Very low	29	Very low	32 Å²	32	95.5 Å²	95.5	22%	0.224	47%	0.466	C	S	.	.	H	α-helix	trans	-61.9	-36.6	169.9	-68.3	0	0	0	0	111.2	F229 R237	F229-S233 WeakPolarHBondContact O-CA 3.28Å; F229-S233 WeakPolarHBondContact O-CB 3.29Å; F229-S233 PolarHBondContact O-N 3.35Å; F229-S233 PolarHBondContact O-OG 3.29Å; S233-R237 WeakPolarHBondContact O-CB 3.24Å; S233-R237 PolarHBondContact O-N 2.86Å
234	N	28.1	Very low	29.6	Very low	53 Å²	53	95.1 Å²	95.1	28%	0.283	47%	0.472	S	S	.	.	H	α-helix	trans	-73.8	-31.6	173.9	-73.9	-43.1	0	0	0	112.7	D230 N231 F232 R237 R238	D230-N234 VanDerWaalsContact O-CB 3.23Å; D230-N234 WeakPolarHBondContact O-CB 3.27Å; D230-N234 PolarHBondContact O-N 3.49Å; D230-N234 PolarHBondContact O-ND2 3.45Å; N231-N234 PolarHBondContact O-N 3.39Å; F232-N234 VanDerWaalsContact C-N 3.27Å; F232-N234 PolarHBondContact O-N 3.47Å; N234-R237 PolarHBondContact OD1-NH1 3.26Å; N234-R238 WeakPolarHBondContact O-CB 3.34Å; N234-R238 WeakPolarHBondContact O-CG 3.16Å; N234-R238 PolarHBondContact O-N 3.39Å
235	L	29.1	Very low	30.3	Very low	89 Å²	89	95.1 Å²	95.1	47%	0.466	47%	0.474	S	S	.	.	H	α-helix	trans	-73.2	-41.7	175.1	-159.6	80.1	0	0	0	112	N231 F232 R238 N239	N231-L235 WeakPolarHBondContact O-CB 3.5Å; N231-L235 PolarHBondContact O-N 3.16Å; F232-L235 PolarHBondContact O-N 2.82Å; F232-L235 VanDerWaalsContact O-N 3.16Å; L235-R238 CarbonylContact O-C 3.56Å; L235-R238 WeakPolarHBondContact O-CB 3.3Å; L235-R238 PolarHBondContact O-N 3.37Å; L235-N239 PolarHBondContact O-N 3.47Å
236	H	30.1	Very low	31.1	Very low	109 Å²	109	95.3 Å²	95.3	51%	0.505	48%	0.477	S	S	.	.	H	α-helix	trans	-69.4	-38.3	174.2	-171.5	61.3	0	0	0	111.5	F232 R238 N239 I240	F232-H236 VanDerWaalsContact O-CB 3.31Å; F232-H236 WeakPolarHBondContact O-CB 3.44Å; F232-H236 PolarHBondContact O-N 3.49Å; H236-R238 VanDerWaalsContact C-N 3.29Å; H236-R238 PolarHBondContact O-N 2.87Å; H236-N239 PolarHBondContact O-N 2.76Å; H236-I240 VanDerWaalsContact NE2-CD1 3.32Å; H236-I240 WeakPolarHBondContact NE2-CD1 3.45Å; H236-I240 WeakPolarHBondContact O-CG1 3.41Å; H236-I240 PolarHBondContact O-N 3.06Å
237	R	28.9	Very low	31.6	Very low	142 Å²	142	96.2 Å²	96.2	54%	0.536	48%	0.484	S	S	.	.	H	α-helix	trans	-63.1	-32.6	170.2	-168.4	-172.6	-52.9	177.1	3.3	112.4	S233 N234 S241	S233-R237 WeakPolarHBondContact O-CB 3.24Å; S233-R237 PolarHBondContact O-N 2.86Å; N234-R237 PolarHBondContact OD1-NH1 3.26Å; R237-S241 WeakPolarHBondContact O-CB 3.47Å; R237-S241 PolarHBondContact O-N 3.38Å; R237-S241 PolarHBondContact O-OG 3.18Å
238	R	29.1	Very low	32.4	Very low	162 Å²	162	93.2 Å²	93.2	61%	0.611	47%	0.471	S	S	*	.	H	α-helix	trans	-74.4	-34.7	171.1	-78.8	172.9	-171.7	153.5	2.4	112.8	N234 L235 H236 S241 N242	N234-R238 WeakPolarHBondContact O-CB 3.34Å; N234-R238 WeakPolarHBondContact O-CG 3.16Å; N234-R238 PolarHBondContact O-N 3.39Å; L235-R238 CarbonylContact O-C 3.56Å; L235-R238 WeakPolarHBondContact O-CB 3.3Å; L235-R238 PolarHBondContact O-N 3.37Å; H236-R238 VanDerWaalsContact C-N 3.29Å; H236-R238 PolarHBondContact O-N 2.87Å; R238-S241 VanDerWaalsContact C-OG 3.3Å; R238-S241 VanDerWaalsContact CA-OG 3.31Å; R238-S241 WeakPolarHBondContact CA-OG 3.4Å; R238-S241 PolarHBondContact O-OG 3.11Å; R238-N242 PolarHBondContact O-N 2.75Å; R238-N242 PolarHBondContact O-ND2 3.43Å
239	N	29.4	Very low	33.1	Very low	92 Å²	92	95.2 Å²	95.2	49%	0.492	48%	0.477	S	S	.	.	H	α-helix	trans	-74.4	-43.3	177.8	-82.2	-12.3	0	0	0	112.7	L235 H236 S241 N242 T243	L235-N239 PolarHBondContact O-N 3.47Å; H236-N239 PolarHBondContact O-N 2.76Å; N239-S241 VanDerWaalsContact C-N 3.29Å; N239-S241 PolarHBondContact O-N 3.27Å; N239-N242 PolarHBondContact O-N 3Å; N239-N242 VanDerWaalsContact O-N 3.07Å; N239-T243 PolarHBondContact O-N 3.15Å; N239-T243 PolarHBondContact O-OG1 3.42Å
240	I	30.5	Very low	34	Very low	39 Å²	39	89.1 Å²	89.1	20%	0.2	45%	0.45	C	S	.	.	H	α-helix	trans	-63.8	-35.2	174.5	-67.1	168.4	0	0	0	111.2	H236 N242	H236-I240 VanDerWaalsContact NE2-CD1 3.32Å; H236-I240 WeakPolarHBondContact NE2-CD1 3.45Å; H236-I240 WeakPolarHBondContact O-CG1 3.41Å; H236-I240 PolarHBondContact O-N 3.06Å; I240-N242 PolarHBondContact O-N 3.07Å
241	S	32.6	Very low	34.8	Very low	72 Å²	72	93 Å²	93	50%	0.503	47%	0.466	S	S	.	.	H	α-helix	trans	-68.6	-21.1	174.9	56.8	0	0	0	0	113.9	R237 R238 N239	R237-S241 WeakPolarHBondContact O-CB 3.47Å; R237-S241 PolarHBondContact O-N 3.38Å; R237-S241 PolarHBondContact O-OG 3.18Å; R238-S241 VanDerWaalsContact C-OG 3.3Å; R238-S241 VanDerWaalsContact CA-OG 3.31Å; R238-S241 WeakPolarHBondContact CA-OG 3.4Å; R238-S241 PolarHBondContact O-OG 3.11Å; N239-S241 VanDerWaalsContact C-N 3.29Å; N239-S241 PolarHBondContact O-N 3.27Å
242	N	32.8	Very low	35.6	Very low	130 Å²	130	93.7 Å²	93.7	70%	0.695	47%	0.465	S	S	*	.	H	α-helix	trans	-93	-23.2	-178.1	-74.7	-10.9	0	0	0	113.5	R238 N239 I240	R238-N242 PolarHBondContact O-N 2.75Å; R238-N242 PolarHBondContact O-ND2 3.43Å; N239-N242 PolarHBondContact O-N 3Å; N239-N242 VanDerWaalsContact O-N 3.07Å; I240-N242 PolarHBondContact O-N 3.07Å
243	T	34	Very low	36.6	Very low	89 Å²	89	90.3 Å²	90.3	55%	0.546	46%	0.456	S	S	.	.	H	α-helix	trans	-94.7	-12.9	-179.5	57.8	0	0	0	0	114	N239 E245	N239-T243 PolarHBondContact O-N 3.15Å; N239-T243 PolarHBondContact O-OG1 3.42Å; T243-E245 PolarHBondContact O-N 2.82Å
244	G	39.2	Very low	37.1	Very low	35 Å²	35	90.4 Å²	90.4	36%	0.361	46%	0.462	S	S	.	.			trans	73.7	-1.4	177.6	0	0	0	0	0	115
245	E	41.3	Very low	38	Very low	134 Å²	134	94 Å²	94	63%	0.626	48%	0.475	S	S	*	.			trans	-64	138.4	-177.7	-69.2	-175.1	153.8	0	0	112.3	T243 P247	T243-E245 PolarHBondContact O-N 2.82Å; E245-P247 VanDerWaalsContact C-CD 3.41Å; E245-P247 VanDerWaalsContact O-CD 3.25Å; E245-P247 WeakPolarHBondContact O-CD 3.23Å
246	K	45.2	Very low	38.7	Very low	91 Å²	91	92 Å²	92	40%	0.396	47%	0.469	S	S	.	.			trans	-117.7	73.9	-179.4	-71.3	170.7	177.9	-178.6	0	109.7	F248 S256 F257 Q258	K246-F248 PolarHBondContact O-N 2.88Å; K246-S256 WeakPolarHBondContact CD-O 2.9Å; K246-S256 WeakPolarHBondContact O-CB 3.49Å; K246-F257 CarbonylContact C-O 3.29Å; K246-F257 WeakPolarHBondContact CA-O 3.39Å; K246-Q258 HydrophobicContact CG-CG 3.52Å
247	P	39.5	Very low	39.5	Very low	80 Å²	80	88.7 Å²	88.7	52%	0.519	45%	0.453	S	S	.	.			trans	-70.9	-19.4	-171.7	26	-32.3	0	0	0	113.2	E245 K249	E245-P247 VanDerWaalsContact C-CD 3.41Å; E245-P247 VanDerWaalsContact O-CD 3.25Å; E245-P247 WeakPolarHBondContact O-CD 3.23Å; P247-K249 PolarHBondContact O-N 3.46Å
248	F	42.6	Very low	40.1	Very low	59 Å²	59	85.1 Å²	85.1	26%	0.259	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	96.3	-174.4	-56.2	-72.2	0	0	0	111.6	K246 S256 F257 L260 L263	K246-F248 PolarHBondContact O-N 2.88Å; F248-S256 CarbonylContact O-C 3.51Å; F248-S256 WeakPolarHBondContact O-CA 3.37Å; F248-F257 HydrophobicContact CB-CB 4.43Å; F248-F257 WeakPolarHBondContact CB-O 3.25Å; F248-F257 PolarHBondContact N-O 2.8Å; F248-F257 PolarHBondContact O-N 3.43Å; F248-L260 HydrophobicContact CD1-CB 4.14Å; F248-L260 HydrophobicContact CD1-CD1 3.86Å; F248-L260 HydrophobicContact CE1-CB 4.04Å; F248-L260 HydrophobicContact CE1-CD1 4.24Å; F248-L260 HydrophobicContact CE2-CB 4.48Å; F248-L260 HydrophobicContact CG-CB 4.42Å; F248-L260 HydrophobicContact CG-CD1 4.5Å; F248-L260 HydrophobicContact CZ-CB 4.22Å; F248-L263 HydrophobicContact CB-CB 4.17Å; F248-L263 HydrophobicContact CB-CD2 3.81Å
249	K	42.4	Very low	40.7	Very low	133 Å²	133	80.9 Å²	80.9	58%	0.578	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.6	-179.3	-168.2	174.7	-179.1	-178.9	0	111.8	P247 Q251 G254	P247-K249 PolarHBondContact O-N 3.46Å; K249-Q251 PolarHBondContact O-N 3.46Å; K249-G254 VanDerWaalsContact CE-O 3.29Å; K249-G254 WeakPolarHBondContact CE-O 3.49Å
250	C	47.2	Very low	41.1	Very low	1 Å²	1	81 Å²	81	1%	0.007	43%	0.43	C	S	.	.			trans	-67.1	118.3	169.6	179.5	0	0	0	0	109.6	E252 C253 G254 K255 F257 L263	C250-E252 VanDerWaalsContact C-N 3.28Å; C250-E252 PolarHBondContact O-N 3.26Å; C250-C253 VanDerWaalsContact SG-SG 3.68Å; C250-G254 WeakPolarHBondContact O-CA 2.9Å; C250-G254 PolarHBondContact O-N 3.27Å; C250-K255 WeakPolarHBondContact CB-O 3.27Å; C250-K255 PolarHBondContact N-O 3.41Å; C250-F257 HydrophobicContact CB-CE2 4.14Å; C250-L263 VanDerWaalsContact CA-CD1 3.47Å; C250-L263 HydrophobicContact CB-CD1 3.51Å
251	Q	45.4	Very low	41.5	Very low	169 Å²	169	82.4 Å²	82.4	79%	0.79	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-21.6	-177.8	-67	-148.9	-20.3	0	0	113.7	K249	K249-Q251 PolarHBondContact O-N 3.46Å
252	E	42.7	Very low	41.9	Very low	133 Å²	133	83.9 Å²	83.9	62%	0.621	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-31.2	-177.8	-61.4	-148.9	174.2	0	0	114.4	C250 H270	C250-E252 VanDerWaalsContact C-N 3.28Å; C250-E252 PolarHBondContact O-N 3.26Å; E252-H270 WeakPolarHBondContact OE2-CB 3.46Å; E252-H270 IonicContact OE2-CG 2.87Å
253	C	49.3	Very low	42.4	Very low	52 Å²	52	78.2 Å²	78.2	35%	0.351	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	1.8	-178.6	76	0	0	0	0	114.6	C250 K255 H266	C250-C253 VanDerWaalsContact SG-SG 3.68Å; C253-K255 PolarHBondContact O-N 2.85Å; C253-K255 VanDerWaalsContact O-N 3.17Å; C253-H266 PolarHBondContact SG-NE2 3.17Å
254	G	40.3	Very low	42.6	Very low	35 Å²	35	77 Å²	77	36%	0.361	40%	0.404	S	S	.	.			trans	73.3	-0.3	175.4	0	0	0	0	0	115.8	K249 C250	K249-G254 VanDerWaalsContact CE-O 3.29Å; K249-G254 WeakPolarHBondContact CE-O 3.49Å; C250-G254 WeakPolarHBondContact O-CA 2.9Å; C250-G254 PolarHBondContact O-N 3.27Å
255	K	46.2	Very low	42.8	Very low	128 Å²	128	81.3 Å²	81.3	56%	0.557	41%	0.414	S	S	*	.			trans	-70.6	131.3	179.6	-69.6	-178.6	-179	-179.6	0	111.1	C250 C253 F257	C250-K255 WeakPolarHBondContact CB-O 3.27Å; C250-K255 PolarHBondContact N-O 3.41Å; C253-K255 PolarHBondContact O-N 2.85Å; C253-K255 VanDerWaalsContact O-N 3.17Å; K255-F257 HydrophobicContact CB-CE2 3.81Å; K255-F257 HydrophobicContact CB-CZ 3.88Å; K255-F257 WeakPolarHBondContact O-CD2 3.48Å; K255-F257 VanDerWaalsContact O-CE2 3.24Å; K255-F257 WeakPolarHBondContact O-CE2 3.49Å
256	S	44.6	Very low	43.2	Very low	47 Å²	47	76 Å²	76	33%	0.329	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.3	179.7	-53.4	0	0	0	0	112.2	K246 F248	K246-S256 WeakPolarHBondContact CD-O 2.9Å; K246-S256 WeakPolarHBondContact O-CB 3.49Å; F248-S256 CarbonylContact O-C 3.51Å; F248-S256 WeakPolarHBondContact O-CA 3.37Å
257	F	47.4	Very low	43.1	Very low	40 Å²	40	75.4 Å²	75.4	18%	0.175	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.7	-175.2	-59.6	-88	0	0	0	110.4	K246 F248 C250 K255 F262 L263 H266	K246-F257 CarbonylContact C-O 3.29Å; K246-F257 WeakPolarHBondContact CA-O 3.39Å; F248-F257 HydrophobicContact CB-CB 4.43Å; F248-F257 WeakPolarHBondContact CB-O 3.25Å; F248-F257 PolarHBondContact N-O 2.8Å; F248-F257 PolarHBondContact O-N 3.43Å; C250-F257 HydrophobicContact CB-CE2 4.14Å; K255-F257 HydrophobicContact CB-CE2 3.81Å; K255-F257 HydrophobicContact CB-CZ 3.88Å; K255-F257 WeakPolarHBondContact O-CD2 3.48Å; K255-F257 VanDerWaalsContact O-CE2 3.24Å; K255-F257 WeakPolarHBondContact O-CE2 3.49Å; F257-F262 HydrophobicContact CB-CB 4.39Å; F257-F262 HydrophobicContact CD1-CB 4.07Å; F257-F262 HydrophobicContact CG-CB 4.48Å; F257-L263 HydrophobicContact CB-CB 4.28Å; F257-L263 HydrophobicContact CD2-CB 3.97Å; F257-L263 HydrophobicContact CD2-CD1 3.81Å; F257-L263 HydrophobicContact CD2-CG 4.49Å; F257-L263 HydrophobicContact CE2-CD1 4.03Å; F257-L263 HydrophobicContact CG-CB 4.3Å; F257-H266 HydrophobicContact CE1-CB 3.99Å; F257-H266 HydrophobicContact CE2-CB 3.94Å; F257-H266 AromaticContact CE2-CD2 3.42Å; F257-H266 VanDerWaalsContact CE2-CD2 3.42Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.24Å; F257-H266 AromaticContact CE2-CG 3.62Å; F257-H266 HydrophobicContact CZ-CB 3.53Å; F257-H266 AromaticContact CZ-CD2 3.45Å; F257-H266 VanDerWaalsContact CZ-CD2 3.45Å; F257-H266 WeakPolarHBondContact CZ-CD2 3.24Å; F257-H266 AromaticContact CZ-CG 3.18Å; F257-H266 AromaticContact CZ-ND1 3.59Å; F257-H266 AromaticContact CZ-NE2 3.96Å
258	Q	40.3	Very low	43.4	Very low	66 Å²	66	77.4 Å²	77.4	31%	0.308	39%	0.389	S	S	.	.	S	Bend	trans	-80.2	-20.3	179	-63.1	-176.6	-40.1	0	0	112.4	K246	K246-Q258 HydrophobicContact CG-CG 3.52Å
259	M	42.1	Very low	43.6	Very low	73 Å²	73	79.5 Å²	79.5	36%	0.36	40%	0.401	S	S	.	.	S	Bend	trans	-134.6	141.9	-179.8	-65	-164.3	-70.4	0	0	110.7	S261 F262 L263	M259-S261 VanDerWaalsContact C-N 3.3Å; M259-S261 PolarHBondContact O-N 3.21Å; M259-F262 HydrophobicContact CB-CD2 3.99Å; M259-F262 HydrophobicContact CB-CE2 4.49Å; M259-F262 HydrophobicContact CB-CG 4.43Å; M259-F262 HydrophobicContact CE-CD2 3.71Å; M259-F262 HydrophobicContact CE-CE1 4.1Å; M259-F262 HydrophobicContact CE-CE2 3.02Å; M259-F262 HydrophobicContact CE-CZ 3.23Å; M259-F262 PolarHBondContact O-N 3.24Å; M259-L263 PolarHBondContact O-N 3.41Å
260	L	38	Very low	43.8	Very low	94 Å²	94	76.1 Å²	76.1	49%	0.492	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-38	178.5	-174.2	61.8	0	0	0	111.8	F248 F262 L263 T264	F248-L260 HydrophobicContact CD1-CB 4.14Å; F248-L260 HydrophobicContact CD1-CD1 3.86Å; F248-L260 HydrophobicContact CE1-CB 4.04Å; F248-L260 HydrophobicContact CE1-CD1 4.24Å; F248-L260 HydrophobicContact CE2-CB 4.48Å; F248-L260 HydrophobicContact CG-CB 4.42Å; F248-L260 HydrophobicContact CG-CD1 4.5Å; F248-L260 HydrophobicContact CZ-CB 4.22Å; L260-F262 VanDerWaalsContact C-N 3.27Å; L260-F262 PolarHBondContact O-N 3.49Å; L260-L263 HydrophobicContact CD1-CD2 4.15Å; L260-L263 CarbonylContact O-C 3.54Å; L260-L263 WeakPolarHBondContact O-CA 3.3Å; L260-L263 WeakPolarHBondContact O-CB 3.29Å; L260-L263 PolarHBondContact O-N 3.4Å; L260-T264 PolarHBondContact O-N 3.11Å; L260-T264 PolarHBondContact O-OG1 2.83Å
261	S	38.2	Very low	43.5	Very low	70 Å²	70	81.2 Å²	81.2	49%	0.49	42%	0.419	S	S	.	.	H	α-helix	trans	-57.3	-37.5	176.4	53.4	0	0	0	0	113.4	M259 T264 E265	M259-S261 VanDerWaalsContact C-N 3.3Å; M259-S261 PolarHBondContact O-N 3.21Å; S261-T264 PolarHBondContact O-N 3.49Å; S261-E265 WeakPolarHBondContact O-CB 3.44Å; S261-E265 PolarHBondContact O-N 3.26Å
262	F	41.1	Very low	43.3	Very low	103 Å²	103	76.2 Å²	76.2	45%	0.452	41%	0.413	S	S	.	.	H	α-helix	trans	-75	-33.1	175.4	-63.2	-29.1	0	0	0	112.8	F257 M259 L260 H266	F257-F262 HydrophobicContact CB-CB 4.39Å; F257-F262 HydrophobicContact CD1-CB 4.07Å; F257-F262 HydrophobicContact CG-CB 4.48Å; M259-F262 HydrophobicContact CB-CD2 3.99Å; M259-F262 HydrophobicContact CB-CE2 4.49Å; M259-F262 HydrophobicContact CB-CG 4.43Å; M259-F262 HydrophobicContact CE-CD2 3.71Å; M259-F262 HydrophobicContact CE-CE1 4.1Å; M259-F262 HydrophobicContact CE-CE2 3.02Å; M259-F262 HydrophobicContact CE-CZ 3.23Å; M259-F262 PolarHBondContact O-N 3.24Å; L260-F262 VanDerWaalsContact C-N 3.27Å; L260-F262 PolarHBondContact O-N 3.49Å; F262-H266 WeakPolarHBondContact O-CB 3.48Å; F262-H266 PolarHBondContact O-N 3.23Å
263	L	42.7	Very low	43.1	Very low	11 Å²	11	77 Å²	77	6%	0.058	41%	0.414	C	S	.	.	H	α-helix	trans	-65.2	-44.2	170	172.6	60.7	0	0	0	110.6	F248 C250 F257 M259 L260 E265 H266 Q267	F248-L263 HydrophobicContact CB-CB 4.17Å; F248-L263 HydrophobicContact CB-CD2 3.81Å; C250-L263 VanDerWaalsContact CA-CD1 3.47Å; C250-L263 HydrophobicContact CB-CD1 3.51Å; F257-L263 HydrophobicContact CB-CB 4.28Å; F257-L263 HydrophobicContact CD2-CB 3.97Å; F257-L263 HydrophobicContact CD2-CD1 3.81Å; F257-L263 HydrophobicContact CD2-CG 4.49Å; F257-L263 HydrophobicContact CE2-CD1 4.03Å; F257-L263 HydrophobicContact CG-CB 4.3Å; M259-L263 PolarHBondContact O-N 3.41Å; L260-L263 HydrophobicContact CD1-CD2 4.15Å; L260-L263 CarbonylContact O-C 3.54Å; L260-L263 WeakPolarHBondContact O-CA 3.3Å; L260-L263 WeakPolarHBondContact O-CB 3.29Å; L260-L263 PolarHBondContact O-N 3.4Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.04Å; L263-H266 CarbonylContact O-C 3.55Å; L263-H266 PolarHBondContact O-N 3.08Å; L263-Q267 HydrophobicContact CD1-CG 3.96Å; L263-Q267 HydrophobicContact CG-CG 4.34Å; L263-Q267 WeakPolarHBondContact O-CB 3.35Å; L263-Q267 VanDerWaalsContact O-CG 3.26Å; L263-Q267 WeakPolarHBondContact O-CG 3.35Å; L263-Q267 PolarHBondContact O-N 3.1Å
264	T	39.4	Very low	42.5	Very low	63 Å²	63	81 Å²	81	39%	0.387	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-40.3	178	-46.6	0	0	0	0	111.3	L260 S261 Q267 K268	L260-T264 PolarHBondContact O-N 3.11Å; L260-T264 PolarHBondContact O-OG1 2.83Å; S261-T264 PolarHBondContact O-N 3.49Å; T264-Q267 PolarHBondContact O-N 3.29Å; T264-K268 WeakPolarHBondContact O-CG 3.37Å; T264-K268 PolarHBondContact O-N 3.29Å
265	E	42.5	Very low	42.4	Very low	126 Å²	126	84.5 Å²	84.5	59%	0.589	43%	0.431	S	S	*	.	H	α-helix	trans	-71	-35	175.3	-168.6	147.3	-153.1	0	0	112.6	S261 L263 K268	S261-E265 WeakPolarHBondContact O-CB 3.44Å; S261-E265 PolarHBondContact O-N 3.26Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.04Å; E265-K268 WeakPolarHBondContact O-CB 3.49Å; E265-K268 PolarHBondContact O-N 2.85Å
266	H	49.4	Very low	42.2	Very low	22 Å²	22	82.7 Å²	82.7	10%	0.102	43%	0.425	C	S	.	.	H	α-helix	trans	-68.9	-35.3	171.7	175.2	72.6	0	0	0	112.9	C253 F257 F262 L263 K268 I269 H270	C253-H266 PolarHBondContact SG-NE2 3.17Å; F257-H266 HydrophobicContact CE1-CB 3.99Å; F257-H266 HydrophobicContact CE2-CB 3.94Å; F257-H266 AromaticContact CE2-CD2 3.42Å; F257-H266 VanDerWaalsContact CE2-CD2 3.42Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.24Å; F257-H266 AromaticContact CE2-CG 3.62Å; F257-H266 HydrophobicContact CZ-CB 3.53Å; F257-H266 AromaticContact CZ-CD2 3.45Å; F257-H266 VanDerWaalsContact CZ-CD2 3.45Å; F257-H266 WeakPolarHBondContact CZ-CD2 3.24Å; F257-H266 AromaticContact CZ-CG 3.18Å; F257-H266 AromaticContact CZ-ND1 3.59Å; F257-H266 AromaticContact CZ-NE2 3.96Å; F262-H266 WeakPolarHBondContact O-CB 3.48Å; F262-H266 PolarHBondContact O-N 3.23Å; L263-H266 CarbonylContact O-C 3.55Å; L263-H266 PolarHBondContact O-N 3.08Å; H266-K268 PolarHBondContact O-N 3.43Å; H266-I269 WeakPolarHBondContact O-CB 3.4Å; H266-I269 WeakPolarHBondContact O-CG1 3.32Å; H266-I269 PolarHBondContact O-N 3.45Å; H266-I269 VanDerWaalsContact O-N 3.09Å; H266-H270 AromaticContact CD2-NE2 3.84Å; H266-H270 AromaticContact CE1-NE2 3.76Å; H266-H270 AromaticContact NE2-NE2 3.16Å; H266-H270 PolarHBondContact NE2-NE2 3.37Å; H266-H270 VanDerWaalsContact NE2-NE2 3.16Å
267	Q	44	Very low	42.1	Very low	78 Å²	78	87.6 Å²	87.6	36%	0.364	44%	0.44	S	S	.	.	H	α-helix	trans	-66.2	-27.2	176.2	-78.7	168.4	-31.2	0	0	112.2	L263 T264 I269 H270 T271	L263-Q267 HydrophobicContact CD1-CG 3.96Å; L263-Q267 HydrophobicContact CG-CG 4.34Å; L263-Q267 WeakPolarHBondContact O-CB 3.35Å; L263-Q267 VanDerWaalsContact O-CG 3.26Å; L263-Q267 WeakPolarHBondContact O-CG 3.35Å; L263-Q267 PolarHBondContact O-N 3.1Å; T264-Q267 PolarHBondContact O-N 3.29Å; Q267-I269 PolarHBondContact O-N 2.93Å; Q267-H270 PolarHBondContact O-N 3.32Å; Q267-T271 PolarHBondContact O-N 3.19Å
268	K	45.3	Very low	41.7	Very low	123 Å²	123	86.6 Å²	86.6	54%	0.535	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.7	172	-66.7	171.4	-171.3	177.9	0	113.5	T264 E265 H266 H270 T271	T264-K268 WeakPolarHBondContact O-CG 3.37Å; T264-K268 PolarHBondContact O-N 3.29Å; E265-K268 WeakPolarHBondContact O-CB 3.49Å; E265-K268 PolarHBondContact O-N 2.85Å; H266-K268 PolarHBondContact O-N 3.43Å; K268-H270 VanDerWaalsContact C-N 3.32Å; K268-T271 WeakPolarHBondContact CA-OG1 3.36Å; K268-T271 PolarHBondContact O-OG1 3.44Å; K268-T271 VanDerWaalsContact O-OG1 3.12Å
269	I	47.4	Very low	41.7	Very low	102 Å²	102	87.5 Å²	87.5	52%	0.523	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.7	174.4	-54.7	174.4	0	0	0	110.7	H266 Q267	H266-I269 WeakPolarHBondContact O-CB 3.4Å; H266-I269 WeakPolarHBondContact O-CG1 3.32Å; H266-I269 PolarHBondContact O-N 3.45Å; H266-I269 VanDerWaalsContact O-N 3.09Å; Q267-I269 PolarHBondContact O-N 2.93Å
270	H	46	Very low	41.5	Very low	62 Å²	62	91.3 Å²	91.3	29%	0.287	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-23	178.7	-56.7	-59.1	0	0	0	112.5	E252 H266 Q267 K268 G272	E252-H270 WeakPolarHBondContact OE2-CB 3.46Å; E252-H270 IonicContact OE2-CG 2.87Å; H266-H270 AromaticContact CD2-NE2 3.84Å; H266-H270 AromaticContact CE1-NE2 3.76Å; H266-H270 AromaticContact NE2-NE2 3.16Å; H266-H270 PolarHBondContact NE2-NE2 3.37Å; H266-H270 VanDerWaalsContact NE2-NE2 3.16Å; Q267-H270 PolarHBondContact O-N 3.32Å; K268-H270 VanDerWaalsContact C-N 3.32Å; H270-G272 VanDerWaalsContact C-N 3.27Å; H270-G272 PolarHBondContact O-N 3.23Å
271	T	40.7	Very low	41.6	Very low	109 Å²	109	89.4 Å²	89.4	67%	0.669	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	17.2	178.7	58.3	0	0	0	0	115.2	Q267 K268	Q267-T271 PolarHBondContact O-N 3.19Å; K268-T271 WeakPolarHBondContact CA-OG1 3.36Å; K268-T271 PolarHBondContact O-OG1 3.44Å; K268-T271 VanDerWaalsContact O-OG1 3.12Å
272	G	41.8	Very low	41.8	Very low	64 Å²	64	87.9 Å²	87.9	66%	0.66	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	33.3	157.8	0	0	0	0	0	119.2	H270	H270-G272 VanDerWaalsContact C-N 3.27Å; H270-G272 PolarHBondContact O-N 3.23Å
273	K	39.3	Very low	41.8	Very low	149 Å²	149	87.8 Å²	87.8	65%	0.648	47%	0.47	S	S	*	.			trans	-94.3	114.6	159.3	-73	-172.3	179.8	-176.9	0	109.6	F275 I286	K273-F275 VanDerWaalsContact O-CD2 3.27Å; K273-F275 WeakPolarHBondContact O-CD2 3.48Å; K273-F275 WeakPolarHBondContact O-CE2 3.29Å; K273-I286 HydrophobicContact CD-CG2 4.27Å
274	K	35.8	Very low	41.5	Very low	137 Å²	137	91.3 Å²	91.3	60%	0.596	49%	0.493	S	S	*	.			trans	-72.6	131.7	-179.1	-73.6	-178.8	179.6	177.5	0	110.4
275	F	38.4	Very low	41.7	Very low	108 Å²	108	90 Å²	90	47%	0.474	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.5	177.7	-69.4	-87.2	0	0	0	109.5	K273 T284 F285 I286	K273-F275 VanDerWaalsContact O-CD2 3.27Å; K273-F275 WeakPolarHBondContact O-CD2 3.48Å; K273-F275 WeakPolarHBondContact O-CE2 3.29Å; F275-T284 HydrophobicContact CB-CG2 3.71Å; F275-T284 HydrophobicContact CD1-CG2 4.35Å; F275-T284 HydrophobicContact CG-CG2 4.44Å; F275-F285 WeakPolarHBondContact CA-O 3.38Å; F275-I286 HydrophobicContact CD1-CG1 3.85Å; F275-I286 HydrophobicContact CE1-CD1 4Å; F275-I286 HydrophobicContact CE1-CG1 3.46Å; F275-I286 VanDerWaalsContact CE1-CG1 3.46Å; F275-I286 HydrophobicContact CZ-CG1 4.28Å
276	Q	42.1	Very low	41.5	Very low	90 Å²	90	88.2 Å²	88.2	42%	0.421	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.6	173.1	-92.7	-175.2	-26.8	0	0	110.7	T284 F285 C316	Q276-T284 CarbonylContact O-C 3.53Å; Q276-T284 WeakPolarHBondContact O-CA 3.11Å; Q276-F285 PolarHBondContact N-O 3.38Å; Q276-F285 PolarHBondContact O-N 3.14Å; Q276-C316 PolarHBondContact NE2-SG 3.41Å
277	K	41.2	Very low	40.9	Very low	149 Å²	149	93.5 Å²	93.5	65%	0.648	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.3	177.3	-169.4	-178.5	179.6	-173	0	109	G279 G282 K283	K277-G279 PolarHBondContact O-N 3.3Å; K277-G282 WeakPolarHBondContact CE-O 3.31Å; K277-K283 WeakPolarHBondContact CA-O 3.39Å
278	C	39.8	Very low	40.4	Very low	20 Å²	20	94.6 Å²	94.6	14%	0.135	52%	0.515	C	S	.	.			trans	-71.5	126.5	172.3	175.9	0	0	0	0	109.3	E280 C281 G282 K283 F285	C278-E280 VanDerWaalsContact C-N 3.3Å; C278-E280 PolarHBondContact O-N 3.12Å; C278-C281 WeakPolarHBondContact CB-SG 3.37Å; C278-G282 VanDerWaalsContact O-CA 3.3Å; C278-G282 WeakPolarHBondContact O-CA 3.43Å; C278-G282 PolarHBondContact O-N 3.49Å; C278-K283 PolarHBondContact N-O 2.87Å; C278-F285 HydrophobicContact CB-CE2 4.16Å
279	G	40.5	Very low	39.9	Very low	84 Å²	84	92.9 Å²	92.9	87%	0.866	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-32.1	-177.7	0	0	0	0	0	114	K277	K277-G279 PolarHBondContact O-N 3.3Å
280	E	37.8	Very low	39.4	Very low	153 Å²	153	92.3 Å²	92.3	72%	0.715	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-39.2	-176.4	-67.3	-176.4	164.8	0	0	113.4	C278 N311	C278-E280 VanDerWaalsContact C-N 3.3Å; C278-E280 PolarHBondContact O-N 3.12Å; E280-N311 PolarHBondContact OE2-ND2 3.16Å
281	C	39.5	Very low	39.1	Very low	54 Å²	54	91.5 Å²	91.5	37%	0.365	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-8.2	-178.5	80.7	0	0	0	0	114.1	C278 K283	C278-C281 WeakPolarHBondContact CB-SG 3.37Å; C281-K283 PolarHBondContact O-N 3.13Å
282	G	43.2	Very low	39	Very low	39 Å²	39	89.6 Å²	89.6	40%	0.402	50%	0.498	S	S	.	.			trans	69.1	2.1	173.3	0	0	0	0	0	116	K277 C278	K277-G282 WeakPolarHBondContact CE-O 3.31Å; C278-G282 VanDerWaalsContact O-CA 3.3Å; C278-G282 WeakPolarHBondContact O-CA 3.43Å; C278-G282 PolarHBondContact O-N 3.49Å
283	K	40.1	Very low	38.8	Very low	100 Å²	100	92.1 Å²	92.1	44%	0.435	49%	0.492	S	S	.	.			trans	-85	148.7	178.7	-65.4	-179.1	-173	172.2	0	111.6	K277 C278 C281 F285 E308	K277-K283 WeakPolarHBondContact CA-O 3.39Å; C278-K283 PolarHBondContact N-O 2.87Å; C281-K283 PolarHBondContact O-N 3.13Å; K283-F285 HydrophobicContact CB-CE1 4.34Å; K283-F285 HydrophobicContact CB-CE2 3.74Å; K283-F285 HydrophobicContact CB-CZ 3.58Å; K283-F285 HydrophobicContact CD-CZ 4.14Å; K283-F285 WeakPolarHBondContact O-CE2 3.24Å; K283-E308 IonicContact NZ-OE1 3.24Å; K283-E308 IonicContact NZ-OE2 2.65Å; K283-E308 PolarHBondContact NZ-OE2 3.01Å
284	T	38.1	Very low	38.7	Very low	86 Å²	86	87.7 Å²	87.7	53%	0.528	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.1	-178.4	-37	0	0	0	0	110.6	F275 Q276	F275-T284 HydrophobicContact CB-CG2 3.71Å; F275-T284 HydrophobicContact CD1-CG2 4.35Å; F275-T284 HydrophobicContact CG-CG2 4.44Å; Q276-T284 CarbonylContact O-C 3.53Å; Q276-T284 WeakPolarHBondContact O-CA 3.11Å
285	F	42.8	Very low	38.9	Very low	36 Å²	36	90.5 Å²	90.5	16%	0.158	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	156.8	-174.5	-54.8	-83.2	0	0	0	112.2	F275 Q276 C278 K283	F275-F285 WeakPolarHBondContact CA-O 3.38Å; Q276-F285 PolarHBondContact N-O 3.38Å; Q276-F285 PolarHBondContact O-N 3.14Å; C278-F285 HydrophobicContact CB-CE2 4.16Å; K283-F285 HydrophobicContact CB-CE1 4.34Å; K283-F285 HydrophobicContact CB-CE2 3.74Å; K283-F285 HydrophobicContact CB-CZ 3.58Å; K283-F285 HydrophobicContact CD-CZ 4.14Å; K283-F285 WeakPolarHBondContact O-CE2 3.24Å
286	I	38.2	Very low	38.6	Very low	88 Å²	88	93 Å²	93	45%	0.451	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.1	174.3	-57.7	169.8	0	0	0	108.2	K273 F275	K273-I286 HydrophobicContact CD-CG2 4.27Å; F275-I286 HydrophobicContact CD1-CG1 3.85Å; F275-I286 HydrophobicContact CE1-CD1 4Å; F275-I286 HydrophobicContact CE1-CG1 3.46Å; F275-I286 VanDerWaalsContact CE1-CG1 3.46Å; F275-I286 HydrophobicContact CZ-CG1 4.28Å
287	Q	37.4	Very low	38.6	Very low	133 Å²	133	96.2 Å²	96.2	62%	0.621	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	138	-170.8	-165.1	174.5	-6.2	0	0	114.6
288	C	33.5	Very low	38.5	Very low	100 Å²	100	96.2 Å²	96.2	68%	0.676	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-21.3	166.7	-70.9	0	0	0	0	122.2
289	S	34.5	Very low	38.2	Very low	88 Å²	88	101.4 Å²	101.4	62%	0.615	57%	0.569	S	S	*	*	S	Bend	trans	-90.5	-6.9	-174	63.5	0	0	0	0	116.3
290	H	36.5	Very low	38	Very low	89 Å²	89	101.9 Å²	101.9	41%	0.412	57%	0.574	S	S	.	*	S	Bend	trans	-121.9	10	-169.7	-78.5	-57.4	0	0	0	115.5	Q307	H290-Q307 PolarHBondContact ND1-OE1 2.89Å; H290-Q307 VanDerWaalsContact O-CG 3.31Å; H290-Q307 WeakPolarHBondContact O-CG 3.21Å; H290-Q307 PolarHBondContact O-N 3.22Å
291	F	39.9	Very low	37.8	Very low	45 Å²	45	101 Å²	101	20%	0.197	57%	0.57	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	178.3	-56.8	-72.5	0	0	0	109.5	Y304 K305 C306 I313	F291-Y304 HydrophobicContact CB-CD1 3.95Å; F291-Y304 HydrophobicContact CB-CG 4.44Å; F291-K305 WeakPolarHBondContact CA-O 3.34Å; F291-K305 WeakPolarHBondContact CD1-O 3.4Å; F291-C306 HydrophobicContact CE1-CB 4.39Å; F291-I313 HydrophobicContact CD1-CD1 4.36Å; F291-I313 HydrophobicContact CE1-CD1 3.65Å; F291-I313 HydrophobicContact CZ-CD1 4.33Å
292	T	38.4	Very low	37.4	Very low	70 Å²	70	105.5 Å²	105.5	43%	0.429	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.4	132.9	174.8	48.4	0	0	0	0	110	Q307	T292-Q307 HydrophobicContact CG2-CG 4.41Å
293	E	37.5	Very low	37.2	Very low	116 Å²	116	105.7 Å²	105.7	54%	0.542	58%	0.577	S	S	.	*			trans	-69.4	129.9	169.8	-66.4	-163.3	178.6	0	0	109.4	K302	E293-K302 IonicContact OE1-NZ 3.65Å; E293-K302 IonicContact OE2-NZ 3.66Å; E293-K302 PolarHBondContact OE2-NZ 3.16Å
294	P	37.9	Very low	37.2	Very low	57 Å²	57	106.3 Å²	106.3	37%	0.37	58%	0.578	S	S	.	*			trans	-79.7	128	166.5	28.8	-26.6	0	0	0	110.1	N296 P303	P294-N296 PolarHBondContact O-N 3.46Å; P294-P303 WeakPolarHBondContact CD-O 3.49Å
295	E	40.1	Very low	37.4	Very low	195 Å²	195	105.8 Å²	105.8	91%	0.911	57%	0.568	S	S	*	*			trans	-71.5	102	164.2	-76.7	-179	157.5	0	0	108.7
296	N	30.9	Very low	37.5	Very low	161 Å²	161	104.4 Å²	104.4	86%	0.861	56%	0.563	S	S	*	*			trans	-152.8	128.3	152.8	-110.2	-25.3	0	0	0	110.1	P294	P294-N296 PolarHBondContact O-N 3.46Å
297	I	41.9	Very low	37.8	Very low	158 Å²	158	105 Å²	105	81%	0.81	56%	0.564	S	S	*	*			trans	-80.1	148.4	-179.4	-62.6	165.8	0	0	0	107.8
298	D	39.1	Very low	38.1	Very low	148 Å²	148	105.2 Å²	105.2	79%	0.791	57%	0.565	S	S	*	*	S	Bend	trans	78.5	71.3	-177.7	-73.5	-15.8	0	0	0	117.3
299	T	34.1	Very low	38.6	Very low	129 Å²	129	102.8 Å²	102.8	79%	0.791	55%	0.549	S	S	*	.				-178.2	130.2	129.4	27.1	0	0	0	0	106.1	E301	T299-E301 PolarHBondContact O-N 3.44Å
300	G	36.6	Very low	39	Very low	94 Å²	94	104.6 Å²	104.6	97%	0.969	55%	0.551	S	S	*	*	S	Bend	trans	-65.3	19.8	-169.9	0	0	0	0	0	117.2
301	E	32.7	Very low	39.3	Very low	134 Å²	134	104.5 Å²	104.5	63%	0.626	55%	0.554	S	S	*	*			trans	-118.5	119.5	173.4	-65.4	-173.1	163.3	0	0	109.2	T299 P303	T299-E301 PolarHBondContact O-N 3.44Å; E301-P303 WeakPolarHBondContact O-CD 3.23Å
302	K	31.2	Very low	39.3	Very low	150 Å²	150	106.1 Å²	106.1	65%	0.652	57%	0.567	S	S	*	*			trans	-92.2	108.7	176.1	-70.2	-172.2	172	-159.5	0	110.7	E293	E293-K302 IonicContact OE1-NZ 3.65Å; E293-K302 IonicContact OE2-NZ 3.66Å; E293-K302 PolarHBondContact OE2-NZ 3.16Å
303	P	39	Very low	39.5	Very low	43 Å²	43	106.1 Å²	106.1	28%	0.279	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-93.4	144.2	175.6	37.7	-36	0	0	0	112.1	P294 E301 V312	P294-P303 WeakPolarHBondContact CD-O 3.49Å; E301-P303 WeakPolarHBondContact O-CD 3.23Å; P303-V312 HydrophobicContact CB-CG1 3.39Å; P303-V312 HydrophobicContact CG-CG1 3.73Å
304	Y	41	Very low	39.4	Very low	112 Å²	112	108.1 Å²	108.1	44%	0.439	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	138.7	-178	-67.4	-82.5	0	0	0	111.2	F291 I313	F291-Y304 HydrophobicContact CB-CD1 3.95Å; F291-Y304 HydrophobicContact CB-CG 4.44Å; Y304-I313 PolarHBondContact N-O 3.18Å; Y304-I313 PolarHBondContact O-N 3.35Å
305	K	42.1	Very low	39.1	Very low	75 Å²	75	111.1 Å²	111.1	33%	0.326	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	131.6	173.7	-71.6	-177.4	-178.5	178.4	0	111.5	F291 N311 V312	F291-K305 WeakPolarHBondContact CA-O 3.34Å; F291-K305 WeakPolarHBondContact CD1-O 3.4Å; K305-N311 WeakPolarHBondContact CA-O 2.86Å; K305-V312 HydrophobicContact CG-CG2 4.05Å
306	C	45.7	Very low	38.5	Very low	7 Å²	7	106.1 Å²	106.1	5%	0.047	57%	0.574	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.9	122.7	173.2	176.5	0	0	0	0	110.7	F291 E308 C309 N310 N311	F291-C306 HydrophobicContact CE1-CB 4.39Å; C306-E308 PolarHBondContact O-N 3.4Å; C306-C309 WeakPolarHBondContact CB-SG 3.32Å; C306-C309 PolarHBondContact O-N 3.32Å; C306-C309 PolarHBondContact SG-SG 2.88Å; C306-N310 WeakPolarHBondContact O-CA 3.49Å; C306-N310 PolarHBondContact O-N 3.36Å; C306-N311 PolarHBondContact N-O 2.86Å
307	Q	44.1	Very low	38.3	Very low	102 Å²	102	104 Å²	104	48%	0.477	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.2	-19.4	-178.2	-76.7	177.5	-23.8	0	0	114.9	H290 T292	H290-Q307 PolarHBondContact ND1-OE1 2.89Å; H290-Q307 VanDerWaalsContact O-CG 3.31Å; H290-Q307 WeakPolarHBondContact O-CG 3.21Å; H290-Q307 PolarHBondContact O-N 3.22Å; T292-Q307 HydrophobicContact CG2-CG 4.41Å
308	E	43.7	Very low	37.7	Very low	136 Å²	136	101.3 Å²	101.3	64%	0.636	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-30	178.3	-74.1	-158.3	165.4	0	0	114	K283 C306	K283-E308 IonicContact NZ-OE1 3.24Å; K283-E308 IonicContact NZ-OE2 2.65Å; K283-E308 PolarHBondContact NZ-OE2 3.01Å; C306-E308 PolarHBondContact O-N 3.4Å
309	C	43.3	Very low	37	Very low	50 Å²	50	102.3 Å²	102.3	34%	0.338	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.3	-2	-176.4	64	0	0	0	0	114.8	C306 N311	C306-C309 WeakPolarHBondContact CB-SG 3.32Å; C306-C309 PolarHBondContact O-N 3.32Å; C306-C309 PolarHBondContact SG-SG 2.88Å; C309-N311 PolarHBondContact O-N 3.41Å
310	N	43.1	Very low	36.5	Very low	125 Å²	125	102.8 Å²	102.8	67%	0.668	57%	0.569	S	S	*	*			trans	57.5	5.9	178.6	-101.6	-8.3	0	0	0	116.9	C306	C306-N310 WeakPolarHBondContact O-CA 3.49Å; C306-N310 PolarHBondContact O-N 3.36Å
311	N	43.1	Very low	35.9	Very low	87 Å²	87	107.6 Å²	107.6	47%	0.465	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-82.3	151.3	177.6	-79.7	-13.8	0	0	0	113	E280 K305 C306 C309	E280-N311 PolarHBondContact OE2-ND2 3.16Å; K305-N311 WeakPolarHBondContact CA-O 2.86Å; C306-N311 PolarHBondContact N-O 2.86Å; C309-N311 PolarHBondContact O-N 3.41Å
312	V	40.7	Very low	35.5	Very low	79 Å²	79	109.4 Å²	109.4	48%	0.479	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90	120.7	-174.9	-179.2	0	0	0	0	110.1	P303 K305	P303-V312 HydrophobicContact CB-CG1 3.39Å; P303-V312 HydrophobicContact CG-CG1 3.73Å; K305-V312 HydrophobicContact CG-CG2 4.05Å
313	I	42.6	Very low	35.2	Very low	70 Å²	70	111.1 Å²	111.1	36%	0.359	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.7	120.7	177.9	-54.8	175.2	0	0	0	108.8	F291 Y304	F291-I313 HydrophobicContact CD1-CD1 4.36Å; F291-I313 HydrophobicContact CE1-CD1 3.65Å; F291-I313 HydrophobicContact CZ-CD1 4.33Å; Y304-I313 PolarHBondContact N-O 3.18Å; Y304-I313 PolarHBondContact O-N 3.35Å
314	K	34.8	Very low	34.4	Very low	159 Å²	159	117.3 Å²	117.3	69%	0.691	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-93.1	119.9	170.4	-74.2	-171.4	175.8	-170.4	0	110.3
315	T	31.2	Very low	33.7	Very low	120 Å²	120	120.9 Å²	120.9	74%	0.736	62%	0.623	S	S	*	*			trans	56.5	134.1	162.2	55.6	0	0	0	0	120.4
316	C	27.9	Very low	33.1	Very low	89 Å²	89	122.1 Å²	122.1	60%	0.601	65%	0.647	S	S	*	*			trans	-119.9	109	174.4	170.7	0	0	0	0	109.3	Q276	Q276-C316 PolarHBondContact NE2-SG 3.41Å
317	S	27.2	Very low	32.4	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	68%	0.682	S	S	*	*			trans	-98.1	137.9	168.4	36.6	0	0	0	0	111.1
318	V	27.6	Very low	31.8	Very low	102 Å²	102	123.7 Å²	123.7	62%	0.618	69%	0.692	S	S	*	*			trans	-78	133	-168.9	175.6	0	0	0	0	111.2
319	L	25.3	Very low	31	Very low	169 Å²	169	124.1 Å²	124.1	89%	0.885	69%	0.694	S	S	*	*			trans	-111.3	123	166.9	-76.1	169.9	0	0	0	111.6
320	T	23.1	Very low	30.5	Very low	139 Å²	139	127.4 Å²	127.4	85%	0.853	71%	0.705	S	S	*	*			trans	-90.4	150.1	177.2	-8.5	0	0	0	0	110.9
321	K	23.9	Very low	29.8	Very low	195 Å²	195	129 Å²	129	85%	0.848	70%	0.703	S	S	*	*			trans	-106.2	123.7	-170.7	-166.1	-177.1	-170.7	-179	0	110.5
322	N	24.6	Very low	29	Very low	173 Å²	173	133.8 Å²	133.8	93%	0.925	71%	0.714	S	S	*	*			trans	-122.9	145.3	165.2	-83.5	-24.6	0	0	0	111.1
323	R	24.6	Very low	28.4	Very low	185 Å²	185	133 Å²	133	70%	0.698	71%	0.711	S	S	*	*			trans	-109.7	128.1	-163.6	-164.3	-174.4	-161	170.1	7	109.6
324	I	23.9	Very low	27.7	Very low	174 Å²	174	138.4 Å²	138.4	89%	0.892	74%	0.735	S	S	*	*			trans	-139.7	137.6	160.8	-56.8	-178.4	0	0	0	108.6
325	Y	26.1	Very low	27.6	Very low	186 Å²	186	138.7 Å²	138.7	73%	0.729	74%	0.739	S	S	*	*			trans	-85.6	158.7	-175.5	-93.3	-89.7	0	0	0	113.6
326	A	28.6	Very low	27.6	Very low	101 Å²	101	140.9 Å²	140.9	84%	0.835	74%	0.738	S	S	*	*	S	Bend	trans	83.4	89.9	165.9	0	0	0	0	0	117.3
327	G	32.2	Very low	27.8	Very low	76 Å²	76	140.3 Å²	140.3	78%	0.784	75%	0.747	S	S	*	*	S	Bend	trans	94.1	93.5	161.8	0	0	0	0	0	115.3
328	G	29.7	Very low	27.9	Very low	67 Å²	67	142 Å²	142	69%	0.691	74%	0.74	S	S	*	*			trans	82.8	131.9	168.8	0	0	0	0	0	115.6
329	E	28.6	Very low	28	Very low	145 Å²	145	140.8 Å²	140.8	68%	0.678	73%	0.733	S	S	*	*			trans	-81.2	119.9	169.7	-66.4	-175.3	157.9	0	0	109.3	Y331	E329-Y331 HydrophobicContact CB-CE2 4.49Å
330	H	31.8	Very low	28.1	Very low	119 Å²	119	139.4 Å²	139.4	55%	0.551	72%	0.72	S	S	*	*			trans	-114.4	132.6	171.4	-68.7	-64.8	0	0	0	109.9	V339 N341	H330-V339 HydrophobicContact CB-CG1 3.95Å; H330-N341 PolarHBondContact CE1-OD1 2.94Å; H330-N341 PolarHBondContact ND1-OD1 2.91Å
331	Y	28.9	Very low	28.3	Very low	159 Å²	159	138.6 Å²	138.6	62%	0.624	71%	0.71	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.9	129.4	172.6	-63.9	-88.6	0	0	0	109.7	E329 F340	E329-Y331 HydrophobicContact CB-CE2 4.49Å; Y331-F340 PolarHBondContact O-N 3.08Å
332	R	26.3	Very low	28.4	Very low	186 Å²	186	138.1 Å²	138.1	70%	0.702	71%	0.711	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-113.2	128.6	170.6	-177.1	-173.3	-72.9	-164.3	-2.3	108.5
333	C	26.9	Very low	28.4	Very low	62 Å²	62	135.6 Å²	135.6	42%	0.419	71%	0.706	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.2	130.2	169.6	-176.6	0	0	0	0	108.8
334	E	29.1	Very low	28.4	Very low	185 Å²	185	131.2 Å²	131.2	86%	0.864	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-1.6	-176.8	-83.9	-173.5	164.2	0	0	115.2
335	E	33.1	Very low	28.5	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-19.1	170.4	-90.5	-173.8	146.2	0	0	113.9
336	F	30.5	Very low	28.4	Very low	165 Å²	165	131 Å²	131	72%	0.724	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.6	95.1	177	-59.6	-85	0	0	0	108.2	K338	F336-K338 VanDerWaalsContact C-N 3.35Å; F336-K338 PolarHBondContact O-N 3.47Å
337	G	32	Very low	28.2	Very low	77 Å²	77	132.6 Å²	132.6	79%	0.794	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	79.4	-168.7	0	0	0	0	0	116.7
338	K	30.2	Very low	27.8	Very low	151 Å²	151	137.8 Å²	137.8	66%	0.657	71%	0.713	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-139.6	154.6	176.4	-66.7	-174.6	-179.6	179	0	111.4	F336	F336-K338 VanDerWaalsContact C-N 3.35Å; F336-K338 PolarHBondContact O-N 3.47Å
339	V	28.4	Very low	27.5	Very low	77 Å²	77	143.8 Å²	143.8	47%	0.467	72%	0.723	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	138.6	-176.9	-179.8	0	0	0	0	110.1	H330	H330-V339 HydrophobicContact CB-CG1 3.95Å
340	F	27.6	Very low	27.4	Very low	141 Å²	141	145.7 Å²	145.7	62%	0.618	73%	0.732	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.3	144.8	179.7	-63.9	-85.7	0	0	0	113.2	Y331	Y331-F340 PolarHBondContact O-N 3.08Å
341	N	27.4	Very low	27.2	Very low	121 Å²	121	149.7 Å²	149.7	65%	0.647	75%	0.75	S	S	*	*			trans	-115.9	143	173.2	-61	-6.5	0	0	0	109.8	H330 C343	H330-N341 PolarHBondContact CE1-OD1 2.94Å; H330-N341 PolarHBondContact ND1-OD1 2.91Å; N341-C343 PolarHBondContact O-N 2.83Å
342	Q	26.9	Very low	27	Very low	186 Å²	186	145.7 Å²	145.7	87%	0.869	76%	0.758	S	S	*	*			trans	-80.9	114.2	-173.8	-170.3	176.1	22.5	0	0	112.8
343	C	22.9	Very low	27.1	Very low	120 Å²	120	143.3 Å²	143.3	81%	0.811	76%	0.764	S	S	*	*			trans	-158	147.4	140.7	-146.6	0	0	0	0	111.4	N341	N341-C343 PolarHBondContact O-N 2.83Å
344	S	26.4	Very low	27	Very low	93 Å²	93	149.6 Å²	149.6	65%	0.65	79%	0.787	S	S	*	*			trans	-64.2	146.3	-171.5	36.9	0	0	0	0	116
345	H	26	Very low	26.9	Very low	181 Å²	181	149.8 Å²	149.8	84%	0.838	79%	0.788	S	S	*	*			trans	81.5	103.6	170.2	-61.6	-77.5	0	0	0	117.4
346	L	23	Very low	26.5	Very low	175 Å²	175	151.6 Å²	151.6	92%	0.916	79%	0.793	S	S	*	*			trans	-142.1	112.2	145.9	-78.8	174.6	0	0	0	109.8
347	T	24.4	Very low	26.1	Very low	133 Å²	133	149.7 Å²	149.7	82%	0.816	80%	0.797	S	S	*	*			trans	-67.4	140	140.7	31.2	0	0	0	0	108.1
348	E	22.8	Very low	25.7	Very low	186 Å²	186	152.3 Å²	152.3	87%	0.869	80%	0.802	S	S	*	*			trans	-54.3	138.4	176.1	-67.6	167.7	153.3	0	0	112
349	H	24.6	Very low	25.4	Very low	192 Å²	192	154.6 Å²	154.6	89%	0.889	81%	0.812	S	S	*	*			trans	-141.4	135.8	148.8	-105.7	-77.5	0	0	0	108.5
350	E	26.9	Very low	25.3	Very low	186 Å²	186	161.7 Å²	161.7	87%	0.869	83%	0.832	S	S	*	*			trans	-65.8	159.6	-175.5	-65.2	173.9	138.5	0	0	113.5
351	H	26.7	Very low	25.4	Very low	202 Å²	202	163.5 Å²	163.5	94%	0.935	84%	0.842	S	S	*	*			trans	-25.3	139	179.8	-73.3	-68	0	0	0	119.9
352	G	24.9	Very low	25.4	Very low	76 Å²	76	167 Å²	167	78%	0.784	86%	0.855	S	S	*	*			trans	-175	109.6	155.9	0	0	0	0	0	111
353	T	27.5	Very low	25.4	Very low	136 Å²	136	164.5 Å²	164.5	83%	0.834	86%	0.856	S	S	*	*			trans	-64.6	130.5	179.9	44.4	0	0	0	0	112.9
354	E	26.1	Very low	25.7	Very low	193 Å²	193	164.8 Å²	164.8	90%	0.902	86%	0.86	S	S	*	*			trans	176.4	128.8	134.3	-99	174.9	-164.9	0	0	111
355	E	25.9	Very low	25.7	Very low	189 Å²	189	165.7 Å²	165.7	88%	0.883	87%	0.866	S	S	*	*			trans	-78.2	132.9	178.6	-64.3	176.1	148	0	0	111.3
356	K	24.6	Very low	25.6	Very low	204 Å²	204	163.2 Å²	163.2	89%	0.887	86%	0.864	S	S	*	*			trans	-169.8	140.9	146.9	-103.7	157.1	-168.1	177.6	0	112.1
357	P	23.3	Very low	25.6	Very low	125 Å²	125	165.3 Å²	165.3	81%	0.812	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-89	128.5	-171.5	33.5	-31.1	0	0	0	112.3
358	C	22.7	Very low	25.6	Very low	132 Å²	132	165.8 Å²	165.8	89%	0.892	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-91.1	121.9	175.3	-163.7	0	0	0	0	111.3
359	K	23.9	Very low	25.8	Very low	199 Å²	199	161.5 Å²	161.5	87%	0.865	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-71	143.6	174.2	-69.6	177.2	177.5	178.2	0	110.6
360	Y	26	Very low	25.8	Very low	225 Å²	225	157.5 Å²	157.5	88%	0.882	85%	0.845	S	S	*	*	S	Bend	trans	-84.6	105.9	173	-164.2	-89.7	0	0	0	107.6
361	E	30	Very low	25.8	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	84%	0.843	S	S	*	*			trans	164.2	95.9	159.1	-96.9	171.9	-160	0	0	108.5
362	E	28.4	Very low	26.1	Very low	194 Å²	194	149.5 Å²	149.5	91%	0.907	83%	0.832	S	S	*	*			trans	167.4	63.9	156.2	-95.7	174.6	-161.3	0	0	110.2
363	C	26.3	Very low	26.3	Very low	134 Å²	134	152.4 Å²	152.4	91%	0.905	83%	0.829	S	S	*	*			trans	-153.1	50	161.9	-106.2	0	0	0	0	110.9
364	S	30.1	Very low	26.4	Very low	126 Å²	126	150.3 Å²	150.3	88%	0.881	82%	0.82	S	S	*	*			trans	-127.4	66.6	162.6	-71.3	0	0	0	0	108.4
365	S	26	Very low	26.6	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	82%	0.816	S	S	*	*			trans	-168.5	145.7	153.1	45.4	0	0	0	0	110.8
366	V	24.2	Very low	27.1	Very low	130 Å²	130	147.3 Å²	147.3	79%	0.788	81%	0.811	S	S	*	*			trans	96.2	62.2	-179.8	-158.1	0	0	0	0	114.7
367	F	23	Very low	27.6	Very low	218 Å²	218	144.6 Å²	144.6	96%	0.956	80%	0.801	S	S	*	*			trans	-104.3	88.5	142.1	-127.5	-88.4	0	0	0	106.4
368	I	24.4	Very low	28	Very low	144 Å²	144	145.8 Å²	145.8	74%	0.738	80%	0.798	S	S	*	*			trans	-127.2	125.4	162.2	-64.1	-177.2	0	0	0	107.4
369	S	27.2	Very low	28.6	Very low	95 Å²	95	146 Å²	146	66%	0.664	79%	0.789	S	S	*	*			trans	-27	125.6	173.8	52.6	0	0	0	0	115.9
370	C	23.9	Very low	29	Very low	109 Å²	109	144.9 Å²	144.9	74%	0.736	79%	0.791	S	S	*	*			trans	-115	82.8	158	-88.4	0	0	0	0	109.4
371	S	26.9	Very low	29.2	Very low	118 Å²	118	137.2 Å²	137.2	83%	0.825	77%	0.774	S	S	*	*	S	Bend	trans	-98.5	19.2	163.6	-53.5	0	0	0	0	111.7
372	S	32.9	Very low	29.4	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	76%	0.76	S	S	*	*			trans	-167.4	85.5	-174.5	40.9	0	0	0	0	112.6
373	L	28.2	Very low	29.5	Very low	136 Å²	136	130.8 Å²	130.8	71%	0.712	76%	0.758	S	S	*	*			trans	-139.3	136.2	154.9	-80.7	173.7	0	0	0	109.9
374	S	29.6	Very low	29.8	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	76%	0.756	S	S	*	*			trans	-80.4	160.1	-164.9	77.6	0	0	0	0	114.7	Q376	S374-Q376 PolarHBondContact O-N 3.02Å
375	N	31.4	Very low	29.8	Very low	153 Å²	153	133.9 Å²	133.9	82%	0.818	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-58.3	0.8	-173.1	-77.4	-30.5	0	0	0	117.4
376	Q	35.9	Very low	30	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-95.6	-3.8	-172.2	-142.8	155.7	0.3	0	0	114.6	S374	S374-Q376 PolarHBondContact O-N 3.02Å
377	Q	35.4	Very low	30.2	Very low	146 Å²	146	136.4 Å²	136.4	68%	0.682	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-91.8	0.8	173	-72.9	-179.3	-27.3	0	0	114.1
378	M	31.9	Very low	30.6	Very low	150 Å²	150	129.3 Å²	129.3	74%	0.739	72%	0.721	S	S	*	*	S	Bend	trans	-83	-8.5	178.9	-74.5	-67.6	-70.8	0	0	114.6
379	I	36	Very low	30.7	Very low	137 Å²	137	130.4 Å²	130.4	70%	0.703	72%	0.723	S	S	*	*	S	Bend	trans	-88.6	-26.9	-172.9	-62.4	179.9	0	0	0	112.7	A381	I379-A381 VanDerWaalsContact C-N 3.33Å; I379-A381 PolarHBondContact O-N 2.81Å
380	L	31.1	Very low	30.8	Very low	176 Å²	176	132.5 Å²	132.5	92%	0.921	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-2.7	178.8	-75.4	167	0	0	0	114.4
381	A	30.6	Very low	31	Very low	63 Å²	63	136.4 Å²	136.4	52%	0.521	73%	0.732	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	1.4	172.6	0	0	0	0	0	113.3	I379	I379-A381 VanDerWaalsContact C-N 3.33Å; I379-A381 PolarHBondContact O-N 2.81Å
382	G	33.6	Very low	30.9	Very low	52 Å²	52	140.4 Å²	140.4	54%	0.536	73%	0.73	S	S	.	*	G	3₁₀ helix	trans	-76.7	-21.6	-176.1	0	0	0	0	0	115.5
383	E	31.1	Very low	30.5	Very low	186 Å²	186	145.8 Å²	145.8	87%	0.869	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-92.1	-0.6	-175.2	-71.3	-173.9	152.1	0	0	114.7
384	K	31.5	Very low	30.5	Very low	199 Å²	199	142.2 Å²	142.2	87%	0.865	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-106.9	12	175.5	-81.5	-174.9	177.7	177.5	0	114.5
385	L	30.8	Very low	30.3	Very low	127 Å²	127	145.3 Å²	145.3	67%	0.665	74%	0.739	S	S	*	*			trans	-100.9	8.5	-178.5	-89.5	162.5	0	0	0	115.6
386	S	29.6	Very low	30.1	Very low	102 Å²	102	145.9 Å²	145.9	71%	0.713	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-0.3	175.8	69.5	0	0	0	0	115.2
387	K	29.5	Very low	29.8	Very low	193 Å²	193	146 Å²	146	84%	0.839	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	3.6	177.8	-74.3	-174.2	178.4	-179.7	0	114.8
388	C	31.1	Very low	29.3	Very low	68 Å²	68	144.7 Å²	144.7	46%	0.459	75%	0.749	S	S	.	*	S	Bend	trans	-111.6	18.6	-178.7	-145.6	0	0	0	0	113.7
389	E	26.5	Very low	29.1	Very low	167 Å²	167	143.1 Å²	143.1	78%	0.78	75%	0.75	S	S	*	*	S	Bend	trans	-92.2	-8.5	-176.5	-148.2	169.2	-169.9	0	0	113.9
390	T	28.9	Very low	28.7	Very low	140 Å²	140	142.7 Å²	142.7	86%	0.859	75%	0.749	S	S	*	*	S	Bend	trans	-90.7	-2.8	171.3	48.1	0	0	0	0	113.9
391	W	27.9	Very low	28.6	Very low	191 Å²	191	140.1 Å²	140.1	72%	0.723	74%	0.743	S	S	*	*	S	Bend	trans	-101.9	-0.8	-178.1	-139.6	57.1	0	0	0	114.1
392	Y	24.7	Very low	28.5	Very low	201 Å²	201	140.6 Å²	140.6	79%	0.788	74%	0.743	S	S	*	*	S	Bend	trans	-102	11	-168.4	-126.8	-88.6	0	0	0	115.9
393	K	26.2	Very low	28.5	Very low	216 Å²	216	147.9 Å²	147.9	94%	0.939	76%	0.76	S	S	*	*	S	Bend	trans	-108.7	15.5	177.3	-75.2	-171	178.3	177.6	0	115.6
394	G	27.5	Very low	28.6	Very low	61 Å²	61	148.2 Å²	148.2	63%	0.629	76%	0.761	S	S	*	*	S	Bend	trans	-124.7	-1.5	-174	0	0	0	0	0	118.1
395	F	25.1	Very low	28.6	Very low	157 Å²	157	146.8 Å²	146.8	69%	0.689	76%	0.757	S	S	*	*			trans	-131.8	89.5	-172	-76.4	-82.8	0	0	0	113.1	H397	F395-H397 VanDerWaalsContact C-N 3.34Å
396	N	26.5	Very low	28.8	Very low	165 Å²	165	149.9 Å²	149.9	88%	0.882	76%	0.76	S	S	*	*			trans	-94.8	66.1	154.5	-94.9	-23.8	0	0	0	109.5
397	H	29.9	Very low	29.2	Very low	169 Å²	169	147.5 Å²	147.5	78%	0.782	74%	0.739	S	S	*	*	S	Bend	trans	-142.7	112.7	160.2	-81.3	-53.9	0	0	0	108.6	F395	F395-H397 VanDerWaalsContact C-N 3.34Å
398	S	25	Very low	29.5	Very low	118 Å²	118	145.7 Å²	145.7	83%	0.825	73%	0.734	S	S	*	*			trans	-53.5	128.5	175.2	-168.6	0	0	0	0	110.7	N400	S398-N400 PolarHBondContact O-N 3.11Å
399	P	28.8	Very low	29.9	Very low	118 Å²	118	149 Å²	149	77%	0.766	75%	0.745	S	S	*	*			trans	-76.5	117	177.2	28.9	-29.1	0	0	0	109	P401	P399-P401 WeakPolarHBondContact O-CD 3.45Å
400	N	26.2	Very low	30.6	Very low	127 Å²	127	144.8 Å²	144.8	68%	0.679	75%	0.747	S	S	*	*			trans	-85.6	114	169.9	-166.2	10.7	0	0	0	108.5	S398 S402	S398-N400 PolarHBondContact O-N 3.11Å; N400-S402 PolarHBondContact O-N 3.47Å; N400-S402 VanDerWaalsContact O-N 3.08Å
401	P	28.9	Very low	31.5	Very low	122 Å²	122	140 Å²	140	79%	0.792	73%	0.726	S	S	*	*			trans	-84.2	84.6	-176.7	33.1	-31	0	0	0	110.2	P399	P399-P401 WeakPolarHBondContact O-CD 3.45Å
402	S	28.2	Very low	32.8	Very low	73 Å²	73	139.7 Å²	139.7	51%	0.51	73%	0.729	S	S	.	*			trans	-157.6	89.3	158.4	64.9	0	0	0	0	109.8	N400	N400-S402 PolarHBondContact O-N 3.47Å; N400-S402 VanDerWaalsContact O-N 3.08Å
403	K	34.2	Very low	34.7	Very low	206 Å²	206	134 Å²	134	90%	0.896	72%	0.717	S	S	*	*			trans	-55.3	141.6	168	-71.9	176.7	176.9	176.9	0	109	Q405	K403-Q405 PolarHBondContact O-N 3.24Å
404	H	34	Very low	37	Very low	192 Å²	192	126.2 Å²	126.2	89%	0.889	68%	0.683	S	S	*	*			trans	-44	96.9	175.8	-82.4	-86.3	0	0	0	112.4	R406	H404-R406 PolarHBondContact O-N 3.18Å
405	Q	32	Very low	39.2	Very low	170 Å²	170	128.7 Å²	128.7	79%	0.794	68%	0.677	S	S	*	*			trans	-81.4	104.3	163.4	-121.3	171.7	-1.4	0	0	107.2	K403	K403-Q405 PolarHBondContact O-N 3.24Å
406	R	34	Very low	41.7	Very low	191 Å²	191	121.2 Å²	121.2	72%	0.721	64%	0.644	S	S	*	*			trans	-74.2	120.9	166	176.1	-175.1	-101.4	-165.5	-2.9	106.7	H404 E408	H404-R406 PolarHBondContact O-N 3.18Å; R406-E408 PolarHBondContact O-N 2.86Å
407	N	37.2	Very low	44	Very low	52 Å²	52	121.8 Å²	121.8	28%	0.278	64%	0.642	S	S	.	*			trans	-69.7	113.2	158.3	-79.4	-4.2	0	0	0	106.5	F414	N407-F414 WeakPolarHBondContact ND2-CE2 3.32Å
408	E	37.3	Very low	46.1	Very low	156 Å²	156	119.2 Å²	119.2	73%	0.729	63%	0.63	S	S	*	*			trans	-58.7	154	161.1	-60.8	-140.8	144.4	0	0	109.1	R406 G410 G411	R406-E408 PolarHBondContact O-N 2.86Å; E408-G410 PolarHBondContact O-N 3.11Å; E408-G411 PolarHBondContact O-N 3.38Å; E408-G411 VanDerWaalsContact O-N 3.16Å
409	I	38.7	Very low	48.5	Very low	136 Å²	136	115.5 Å²	115.5	70%	0.697	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	94.6	-167	-60	166.6	0	0	0	109
410	G	42.1	Very low	50.7	Low	80 Å²	80	115.5 Å²	115.5	83%	0.825	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.6	-13.2	-174.1	0	0	0	0	0	116.2	E408	E408-G410 PolarHBondContact O-N 3.11Å
411	G	47.5	Very low	52.9	Low	39 Å²	39	111.7 Å²	111.7	40%	0.402	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-69.8	137.2	179.4	0	0	0	0	0	114.7	E408	E408-G411 PolarHBondContact O-N 3.38Å; E408-G411 VanDerWaalsContact O-N 3.16Å
412	K	54.8	Low	54.9	Low	184 Å²	184	111.4 Å²	111.4	80%	0.8	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-53.8	137.1	-179.5	-165.2	173.7	-176.7	178.1	0	112
413	P	65.8	Low	57	Low	83 Å²	83	109.9 Å²	109.9	54%	0.539	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-60.5	144.8	176.5	-22	32.4	0	0	0	112.7	K415 I422	P413-K415 PolarHBondContact O-N 3.06Å; P413-I422 HydrophobicContact CB-CG2 3.24Å; P413-I422 HydrophobicContact CG-CG2 4.24Å
414	F	73.3	Confident	58.6	Low	52 Å²	52	107.6 Å²	107.6	23%	0.228	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108.9	178.7	-64.1	-81.6	0	0	0	109.7	N407 F423 F426 L429	N407-F414 WeakPolarHBondContact ND2-CE2 3.32Å; F414-F423 HydrophobicContact CB-CB 4.45Å; F414-F423 PolarHBondContact N-O 2.92Å; F414-F423 PolarHBondContact O-N 3.09Å; F414-F426 HydrophobicContact CD1-CB 4.16Å; F414-F426 AromaticContact CD1-CD2 3.88Å; F414-F426 HydrophobicContact CD1-CD2 3.88Å; F414-F426 HydrophobicContact CD2-CB 4.31Å; F414-F426 HydrophobicContact CE1-CB 3.93Å; F414-F426 AromaticContact CE1-CD2 3.99Å; F414-F426 HydrophobicContact CE1-CD2 3.99Å; F414-F426 HydrophobicContact CE1-CG 4.4Å; F414-F426 HydrophobicContact CE2-CB 4.09Å; F414-F426 HydrophobicContact CG-CB 4.34Å; F414-F426 HydrophobicContact CZ-CB 3.89Å; F414-L429 HydrophobicContact CB-CB 4.2Å; F414-L429 HydrophobicContact CB-CD2 3.82Å
415	K	73.1	Confident	60.4	Low	113 Å²	113	103.2 Å²	103.2	49%	0.491	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.8	179.6	-167.7	-178.9	176.3	-168	0	110.4	P413 D420 I422	P413-K415 PolarHBondContact O-N 3.06Å; K415-D420 WeakPolarHBondContact CE-OD1 3.25Å; K415-D420 IonicContact NZ-OD1 3.31Å; K415-D420 PolarHBondContact NZ-OD1 2.93Å; K415-I422 HydrophobicContact CG-CG1 4.4Å
416	C	78	Confident	62	Low	0 Å²	0	99.9 Å²	99.9	0%	0	50%	0.504	C	S	.	.			trans	-80.6	131.6	166.8	174.6	0	0	0	0	109.4	E418 C419 S421 F423 L429 H432 H436	C416-E418 VanDerWaalsContact C-N 3.35Å; C416-C419 CarbonylContact C-O 3.53Å; C416-C419 WeakPolarHBondContact CB-O 3.09Å; C416-C419 CarbonylContact O-C 3.5Å; C416-C419 PolarHBondContact SG-N 3.41Å; C416-C419 PolarHBondContact SG-O 3.43Å; C416-S421 PolarHBondContact N-O 3.08Å; C416-F423 HydrophobicContact CB-CE2 4.2Å; C416-L429 HydrophobicContact CB-CD1 3.52Å; C416-H432 PolarHBondContact SG-NE2 3.36Å; C416-H436 PolarHBondContact SG-NE2 3.42Å
417	E	76.3	Confident	63.6	Low	177 Å²	177	93.5 Å²	93.5	83%	0.827	49%	0.489	S	S	*	.	S	Bend	trans	-79.6	-20.9	-177.1	-66	171.6	171.8	0	0	112.3
418	E	74	Confident	65.3	Low	115 Å²	115	93.6 Å²	93.6	54%	0.537	49%	0.489	S	S	.	.	S	Bend	trans	-95.2	-28.4	-175.6	-64.7	172	-117.9	0	0	112.8	C416 H436	C416-E418 VanDerWaalsContact C-N 3.35Å; E418-H436 WeakPolarHBondContact OE2-CB 3.28Å; E418-H436 IonicContact OE2-CD2 3.24Å; E418-H436 IonicContact OE2-CG 3.14Å
419	C	75.4	Confident	67.1	Low	39 Å²	39	86.5 Å²	86.5	26%	0.264	46%	0.456	S	S	.	.	S	Bend	trans	-141.7	132.4	164.1	76.6	0	0	0	0	106.8	C416 S421 H432 H436	C416-C419 CarbonylContact C-O 3.53Å; C416-C419 WeakPolarHBondContact CB-O 3.09Å; C416-C419 CarbonylContact O-C 3.5Å; C416-C419 PolarHBondContact SG-N 3.41Å; C416-C419 PolarHBondContact SG-O 3.43Å; C419-S421 PolarHBondContact O-N 3.42Å; C419-S421 PolarHBondContact SG-OG 2.94Å; C419-H432 PolarHBondContact SG-CE1 3.22Å; C419-H432 PolarHBondContact SG-NE2 3.16Å; C419-H436 PolarHBondContact SG-CE1 3Å; C419-H436 PolarHBondContact SG-NE2 2.78Å; C419-H436 VanDerWaalsContact SG-NE2 3.36Å
420	D	73.9	Confident	68.8	Low	119 Å²	119	82.3 Å²	82.3	64%	0.636	44%	0.437	S	S	*	.			trans	-60.9	17.5	-169.8	-67.6	-62.8	0	0	0	116.2	K415	K415-D420 WeakPolarHBondContact CE-OD1 3.25Å; K415-D420 IonicContact NZ-OD1 3.31Å; K415-D420 PolarHBondContact NZ-OD1 2.93Å
421	S	71.8	Confident	70.4	Confident	47 Å²	47	82.9 Å²	82.9	33%	0.329	42%	0.417	S	S	.	.			trans	-55	133.9	171.1	-62.7	0	0	0	0	112	C416 C419 F423	C416-S421 PolarHBondContact N-O 3.08Å; C419-S421 PolarHBondContact O-N 3.42Å; C419-S421 PolarHBondContact SG-OG 2.94Å; S421-F423 VanDerWaalsContact CB-CE2 3.49Å
422	I	70.9	Confident	71.9	Confident	116 Å²	116	82.1 Å²	82.1	60%	0.595	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.4	-176.9	-56.8	175.3	0	0	0	109.1	P413 K415	P413-I422 HydrophobicContact CB-CG2 3.24Å; P413-I422 HydrophobicContact CG-CG2 4.24Å; K415-I422 HydrophobicContact CG-CG1 4.4Å
423	F	73.6	Confident	72.8	Confident	41 Å²	41	76.9 Å²	76.9	18%	0.18	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.7	-178	-60.4	-85.6	0	0	0	111.2	F414 C416 S421 W425 D428 L429 H432	F414-F423 HydrophobicContact CB-CB 4.45Å; F414-F423 PolarHBondContact N-O 2.92Å; F414-F423 PolarHBondContact O-N 3.09Å; C416-F423 HydrophobicContact CB-CE2 4.2Å; S421-F423 VanDerWaalsContact CB-CE2 3.49Å; F423-W425 VanDerWaalsContact C-N 3.35Å; F423-D428 HydrophobicContact CB-CB 4.41Å; F423-D428 HydrophobicContact CD1-CB 3.92Å; F423-D428 HydrophobicContact CG-CB 4.48Å; F423-L429 HydrophobicContact CB-CB 4.09Å; F423-L429 HydrophobicContact CD2-CB 3.89Å; F423-L429 HydrophobicContact CD2-CD1 3.7Å; F423-L429 HydrophobicContact CD2-CG 4.4Å; F423-L429 HydrophobicContact CE2-CD1 3.98Å; F423-L429 HydrophobicContact CG-CB 4.09Å; F423-H432 HydrophobicContact CE1-CB 3.73Å; F423-H432 AromaticContact CE1-CG 3.96Å; F423-H432 HydrophobicContact CE2-CB 3.82Å; F423-H432 AromaticContact CE2-CD2 3.39Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.43Å; F423-H432 AromaticContact CE2-CG 3.5Å; F423-H432 VanDerWaalsContact CE2-CG 3.5Å; F423-H432 AromaticContact CE2-NE2 3.92Å; F423-H432 HydrophobicContact CZ-CB 3.34Å; F423-H432 AromaticContact CZ-CD2 3.5Å; F423-H432 AromaticContact CZ-CE1 3.88Å; F423-H432 AromaticContact CZ-CG 3.09Å; F423-H432 AromaticContact CZ-ND1 3.38Å; F423-H432 WeakPolarHBondContact CZ-ND1 3.36Å; F423-H432 AromaticContact CZ-NE2 3.95Å
424	K	68	Low	73.5	Confident	158 Å²	158	74.9 Å²	74.9	69%	0.687	36%	0.361	S	S	*	.	S	Bend	trans	-73.1	-30.2	175.5	-174.3	173.1	178.8	173.7	0	112.3
425	W	69.9	Low	73.7	Confident	99 Å²	99	78.1 Å²	78.1	38%	0.375	38%	0.38	S	S	.	.	S	Bend	trans	-125.6	139.4	-176.5	-53.7	109.6	0	0	0	110.8	F423 S427 D428 L429	F423-W425 VanDerWaalsContact C-N 3.35Å; W425-S427 PolarHBondContact O-N 3.21Å; W425-D428 HydrophobicContact CB-CB 4.48Å; W425-D428 VanDerWaalsContact CD1-OD2 3.28Å; W425-D428 PolarHBondContact O-N 3.49Å; W425-L429 PolarHBondContact O-N 3.12Å; W425-L429 VanDerWaalsContact O-N 3.12Å
426	F	66.7	Low	73.8	Confident	101 Å²	101	75.9 Å²	75.9	44%	0.443	37%	0.371	S	S	.	.	H	α-helix	trans	-58.2	-37.1	174.3	-176.6	-103	0	0	0	111.7	F414 D428 L429 T430	F414-F426 HydrophobicContact CD1-CB 4.16Å; F414-F426 AromaticContact CD1-CD2 3.88Å; F414-F426 HydrophobicContact CD1-CD2 3.88Å; F414-F426 HydrophobicContact CD2-CB 4.31Å; F414-F426 HydrophobicContact CE1-CB 3.93Å; F414-F426 AromaticContact CE1-CD2 3.99Å; F414-F426 HydrophobicContact CE1-CD2 3.99Å; F414-F426 HydrophobicContact CE1-CG 4.4Å; F414-F426 HydrophobicContact CE2-CB 4.09Å; F414-F426 HydrophobicContact CG-CB 4.34Å; F414-F426 HydrophobicContact CZ-CB 3.89Å; F426-D428 PolarHBondContact O-N 3.38Å; F426-L429 HydrophobicContact CD2-CD2 4.43Å; F426-L429 PolarHBondContact O-N 3.46Å; F426-T430 WeakPolarHBondContact CE1-OG1 3.24Å; F426-T430 WeakPolarHBondContact O-CB 3.46Å; F426-T430 PolarHBondContact O-N 2.74Å; F426-T430 PolarHBondContact O-OG1 2.77Å
427	S	68.4	Low	73.7	Confident	57 Å²	57	79.5 Å²	79.5	40%	0.399	39%	0.393	S	S	.	.	H	α-helix	trans	-59.7	-31.3	175.9	56.5	0	0	0	0	113.2	W425 K431	W425-S427 PolarHBondContact O-N 3.21Å; S427-K431 VanDerWaalsContact O-CG 3.22Å; S427-K431 WeakPolarHBondContact O-CG 3.1Å; S427-K431 PolarHBondContact O-N 3.07Å; S427-K431 VanDerWaalsContact O-N 3.11Å
428	D	72.7	Confident	73.7	Confident	53 Å²	53	73.2 Å²	73.2	28%	0.283	38%	0.376	S	S	.	.	H	α-helix	trans	-82.1	-35.9	177	-64.1	-31.5	0	0	0	111.7	F423 W425 F426 T430 K431 H432	F423-D428 HydrophobicContact CB-CB 4.41Å; F423-D428 HydrophobicContact CD1-CB 3.92Å; F423-D428 HydrophobicContact CG-CB 4.48Å; W425-D428 HydrophobicContact CB-CB 4.48Å; W425-D428 VanDerWaalsContact CD1-OD2 3.28Å; W425-D428 PolarHBondContact O-N 3.49Å; F426-D428 PolarHBondContact O-N 3.38Å; D428-T430 VanDerWaalsContact C-N 3.34Å; D428-K431 PolarHBondContact O-N 3.18Å; D428-K431 IonicContact OD1-NZ 3.7Å; D428-K431 PolarHBondContact OD1-NZ 3.49Å; D428-H432 VanDerWaalsContact O-CB 3.24Å; D428-H432 WeakPolarHBondContact O-CB 3.31Å; D428-H432 PolarHBondContact O-N 3.02Å
429	L	74	Confident	73.9	Confident	8 Å²	8	73 Å²	73	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-45.4	167.8	174	61.7	0	0	0	110.9	F414 C416 F423 W425 F426 K431 H432 K433	F414-L429 HydrophobicContact CB-CB 4.2Å; F414-L429 HydrophobicContact CB-CD2 3.82Å; C416-L429 HydrophobicContact CB-CD1 3.52Å; F423-L429 HydrophobicContact CB-CB 4.09Å; F423-L429 HydrophobicContact CD2-CB 3.89Å; F423-L429 HydrophobicContact CD2-CD1 3.7Å; F423-L429 HydrophobicContact CD2-CG 4.4Å; F423-L429 HydrophobicContact CE2-CD1 3.98Å; F423-L429 HydrophobicContact CG-CB 4.09Å; W425-L429 PolarHBondContact O-N 3.12Å; W425-L429 VanDerWaalsContact O-N 3.12Å; F426-L429 HydrophobicContact CD2-CD2 4.43Å; F426-L429 PolarHBondContact O-N 3.46Å; L429-K431 PolarHBondContact O-N 3.34Å; L429-H432 CarbonylContact O-C 3.52Å; L429-H432 WeakPolarHBondContact O-CB 3.06Å; L429-H432 PolarHBondContact O-N 3.4Å; L429-H432 VanDerWaalsContact O-N 3.11Å; L429-K433 HydrophobicContact CD1-CG 4.22Å; L429-K433 HydrophobicContact CG-CG 4.49Å; L429-K433 WeakPolarHBondContact O-CG 3.49Å; L429-K433 PolarHBondContact O-N 3.38Å
430	T	74.1	Confident	74.3	Confident	48 Å²	48	76.5 Å²	76.5	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-41	178.5	-60.5	0	0	0	0	112	F426 D428 H432	F426-T430 WeakPolarHBondContact CE1-OG1 3.24Å; F426-T430 WeakPolarHBondContact O-CB 3.46Å; F426-T430 PolarHBondContact O-N 2.74Å; F426-T430 PolarHBondContact O-OG1 2.77Å; D428-T430 VanDerWaalsContact C-N 3.34Å; T430-H432 VanDerWaalsContact C-N 3.32Å
431	K	76.8	Confident	74.7	Confident	92 Å²	92	74.2 Å²	74.2	40%	0.4	38%	0.377	S	S	.	.	H	α-helix	trans	-63.9	-40.1	172.1	-71.1	167.6	-155	159.8	0	111.5	S427 D428 L429 R434	S427-K431 VanDerWaalsContact O-CG 3.22Å; S427-K431 WeakPolarHBondContact O-CG 3.1Å; S427-K431 PolarHBondContact O-N 3.07Å; S427-K431 VanDerWaalsContact O-N 3.11Å; D428-K431 PolarHBondContact O-N 3.18Å; D428-K431 IonicContact OD1-NZ 3.7Å; D428-K431 PolarHBondContact OD1-NZ 3.49Å; L429-K431 PolarHBondContact O-N 3.34Å; K431-R434 WeakPolarHBondContact O-CB 3.46Å; K431-R434 PolarHBondContact O-N 2.78Å
432	H	77.5	Confident	75.2	Confident	23 Å²	23	75.6 Å²	75.6	11%	0.106	38%	0.376	C	S	.	.	H	α-helix	trans	-67.7	-39.3	180	168.3	80.8	0	0	0	112.7	C416 C419 F423 D428 L429 T430 R434 I435 H436	C416-H432 PolarHBondContact SG-NE2 3.36Å; C419-H432 PolarHBondContact SG-CE1 3.22Å; C419-H432 PolarHBondContact SG-NE2 3.16Å; F423-H432 HydrophobicContact CE1-CB 3.73Å; F423-H432 AromaticContact CE1-CG 3.96Å; F423-H432 HydrophobicContact CE2-CB 3.82Å; F423-H432 AromaticContact CE2-CD2 3.39Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.43Å; F423-H432 AromaticContact CE2-CG 3.5Å; F423-H432 VanDerWaalsContact CE2-CG 3.5Å; F423-H432 AromaticContact CE2-NE2 3.92Å; F423-H432 HydrophobicContact CZ-CB 3.34Å; F423-H432 AromaticContact CZ-CD2 3.5Å; F423-H432 AromaticContact CZ-CE1 3.88Å; F423-H432 AromaticContact CZ-CG 3.09Å; F423-H432 AromaticContact CZ-ND1 3.38Å; F423-H432 WeakPolarHBondContact CZ-ND1 3.36Å; F423-H432 AromaticContact CZ-NE2 3.95Å; D428-H432 VanDerWaalsContact O-CB 3.24Å; D428-H432 WeakPolarHBondContact O-CB 3.31Å; D428-H432 PolarHBondContact O-N 3.02Å; L429-H432 CarbonylContact O-C 3.52Å; L429-H432 WeakPolarHBondContact O-CB 3.06Å; L429-H432 PolarHBondContact O-N 3.4Å; L429-H432 VanDerWaalsContact O-N 3.11Å; T430-H432 VanDerWaalsContact C-N 3.32Å; H432-R434 PolarHBondContact O-N 3.27Å; H432-I435 VanDerWaalsContact O-CB 3.23Å; H432-I435 WeakPolarHBondContact O-CB 3.45Å; H432-I435 VanDerWaalsContact O-CG1 3.31Å; H432-I435 WeakPolarHBondContact O-CG1 3.24Å; H432-I435 PolarHBondContact O-N 2.94Å; H432-H436 AromaticContact CD2-NE2 3.97Å; H432-H436 AromaticContact CE1-NE2 3.9Å; H432-H436 AromaticContact NE2-NE2 3.24Å; H432-H436 PolarHBondContact NE2-NE2 2.86Å
433	K	75.3	Confident	75.7	Confident	74 Å²	74	76.7 Å²	76.7	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-55.7	-27.1	176.8	-77	-171.1	174.3	-161.6	0	113.1	L429 I435 H436 T437	L429-K433 HydrophobicContact CD1-CG 4.22Å; L429-K433 HydrophobicContact CG-CG 4.49Å; L429-K433 WeakPolarHBondContact O-CG 3.49Å; L429-K433 PolarHBondContact O-N 3.38Å; K433-I435 PolarHBondContact O-N 2.91Å; K433-I435 VanDerWaalsContact O-N 3.15Å; K433-H436 PolarHBondContact O-N 3.28Å; K433-T437 PolarHBondContact O-N 2.79Å; K433-T437 VanDerWaalsContact O-N 3.1Å; K433-T437 PolarHBondContact O-OG1 2.93Å
434	R	80.9	Confident	76.3	Confident	40 Å²	40	74.9 Å²	74.9	15%	0.151	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-18.4	173.8	-59.3	179.5	-177.6	173.6	-1	114	K431 H432 T437 G438 E439 T452	K431-R434 WeakPolarHBondContact O-CB 3.46Å; K431-R434 PolarHBondContact O-N 2.78Å; H432-R434 PolarHBondContact O-N 3.27Å; R434-T437 WeakPolarHBondContact CA-OG1 3.03Å; R434-G438 WeakPolarHBondContact O-CA 3.26Å; R434-G438 PolarHBondContact O-N 3.48Å; R434-G438 VanDerWaalsContact O-N 3.1Å; R434-E439 HydrophobicContact CG-CB 4.4Å; R434-E439 PolarHBondContact O-N 3.46Å; R434-T452 PolarHBondContact NH1-O 3.41Å
435	I	76	Confident	77.1	Confident	120 Å²	120	73.7 Å²	73.7	62%	0.615	37%	0.37	S	S	*	.	H	α-helix	trans	-69.7	-38.5	174	-61.4	175.1	0	0	0	110.1	H432 K433	H432-I435 VanDerWaalsContact O-CB 3.23Å; H432-I435 WeakPolarHBondContact O-CB 3.45Å; H432-I435 VanDerWaalsContact O-CG1 3.31Å; H432-I435 WeakPolarHBondContact O-CG1 3.24Å; H432-I435 PolarHBondContact O-N 2.94Å; K433-I435 PolarHBondContact O-N 2.91Å; K433-I435 VanDerWaalsContact O-N 3.15Å
436	H	76.3	Confident	77.7	Confident	66 Å²	66	74.8 Å²	74.8	31%	0.306	38%	0.379	S	S	.	.	H	α-helix	trans	-83.4	-42.3	-178.7	-51.5	-55	0	0	0	112.3	C416 E418 C419 H432 K433 G438	C416-H436 PolarHBondContact SG-NE2 3.42Å; E418-H436 WeakPolarHBondContact OE2-CB 3.28Å; E418-H436 IonicContact OE2-CD2 3.24Å; E418-H436 IonicContact OE2-CG 3.14Å; C419-H436 PolarHBondContact SG-CE1 3Å; C419-H436 PolarHBondContact SG-NE2 2.78Å; C419-H436 VanDerWaalsContact SG-NE2 3.36Å; H432-H436 AromaticContact CD2-NE2 3.97Å; H432-H436 AromaticContact CE1-NE2 3.9Å; H432-H436 AromaticContact NE2-NE2 3.24Å; H432-H436 PolarHBondContact NE2-NE2 2.86Å; K433-H436 PolarHBondContact O-N 3.28Å; H436-G438 PolarHBondContact O-N 2.96Å
437	T	75.2	Confident	78.5	Confident	76 Å²	76	72.7 Å²	72.7	47%	0.466	38%	0.376	S	S	.	.	H	α-helix	trans	-74.3	-15.1	177.7	64.2	0	0	0	0	113	K433 R434 E439	K433-T437 PolarHBondContact O-N 2.79Å; K433-T437 VanDerWaalsContact O-N 3.1Å; K433-T437 PolarHBondContact O-OG1 2.93Å; R434-T437 WeakPolarHBondContact CA-OG1 3.03Å; T437-E439 PolarHBondContact O-N 3.16Å; T437-E439 VanDerWaalsContact O-N 3.17Å; T437-E439 WeakPolarHBondContact OG1-CG 3.21Å; T437-E439 PolarHBondContact OG1-N 3.42Å
438	G	76.4	Confident	79.1	Confident	45 Å²	45	72.6 Å²	72.6	46%	0.464	39%	0.385	S	S	.	.			trans	67.9	7.4	-175.2	0	0	0	0	0	114.1	R434 H436 K440	R434-G438 WeakPolarHBondContact O-CA 3.26Å; R434-G438 PolarHBondContact O-N 3.48Å; R434-G438 VanDerWaalsContact O-N 3.1Å; H436-G438 PolarHBondContact O-N 2.96Å; G438-K440 PolarHBondContact O-N 2.77Å
439	E	78.3	Confident	79.5	Confident	111 Å²	111	75.9 Å²	75.9	52%	0.519	40%	0.396	S	S	.	.			trans	-60.4	123.6	-178.7	-77.6	-179.7	-179	0	0	111.3	R434 T437 P441	R434-E439 HydrophobicContact CG-CB 4.4Å; R434-E439 PolarHBondContact O-N 3.46Å; T437-E439 PolarHBondContact O-N 3.16Å; T437-E439 VanDerWaalsContact O-N 3.17Å; T437-E439 WeakPolarHBondContact OG1-CG 3.21Å; T437-E439 PolarHBondContact OG1-N 3.42Å; E439-P441 WeakPolarHBondContact O-CD 3.43Å
440	K	83.4	Confident	80	Confident	113 Å²	113	77 Å²	77	49%	0.491	41%	0.406	S	S	.	.			trans	-122.4	79	176.3	-70.7	167.9	176.8	-176.3	0	109.6	G438 Y442 A450 Y451 T452	G438-K440 PolarHBondContact O-N 2.77Å; K440-Y442 PolarHBondContact O-N 2.87Å; K440-A450 HydrophobicContact CB-CB 3.49Å; K440-A450 VanDerWaalsContact CB-CB 3.49Å; K440-A450 HydrophobicContact CD-CB 4.13Å; K440-A450 WeakPolarHBondContact CD-O 3.48Å; K440-A450 HydrophobicContact CG-CB 4.41Å; K440-Y451 CarbonylContact C-O 3.49Å; K440-Y451 VanDerWaalsContact C-O 3.26Å; K440-Y451 VanDerWaalsContact CA-O 3.32Å; K440-Y451 WeakPolarHBondContact CA-O 3.34Å; K440-T452 HydrophobicContact CG-CG2 3.88Å
441	P	82.1	Confident	80.3	Confident	70 Å²	70	77.1 Å²	77.1	46%	0.455	40%	0.402	S	S	.	.			trans	-65.6	-21.1	-171.7	-22.7	35	0	0	0	114	E439	E439-P441 WeakPolarHBondContact O-CD 3.43Å
442	Y	82.2	Confident	80.4	Confident	76 Å²	76	74.6 Å²	74.6	30%	0.298	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	98.7	-171.7	-54.4	-78	0	0	0	110.4	K440 A450 Y451 T452 S454	K440-Y442 PolarHBondContact O-N 2.87Å; Y442-A450 CarbonylContact O-C 3.19Å; Y442-A450 WeakPolarHBondContact O-CA 3.46Å; Y442-Y451 WeakPolarHBondContact CD2-O 3.49Å; Y442-Y451 PolarHBondContact N-O 3.21Å; Y442-Y451 VanDerWaalsContact N-O 3.11Å; Y442-Y451 PolarHBondContact O-N 2.97Å; Y442-T452 WeakPolarHBondContact CE2-O 3.22Å; Y442-S454 VanDerWaalsContact CD2-N 3.31Å; Y442-S454 VanDerWaalsContact CE2-N 3.34Å
443	K	81.4	Confident	80.4	Confident	140 Å²	140	76.9 Å²	76.9	61%	0.609	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.1	179.6	-62.8	-178.1	-178.9	177.1	0	111.2	K449 A450 L457	K443-K449 CarbonylContact C-O 3.57Å; K443-A450 HydrophobicContact CG-CB 3.85Å; K443-L457 VanDerWaalsContact O-CD2 3.31Å; K443-L457 WeakPolarHBondContact O-CD2 3.21Å
444	C	87.6	Confident	80.4	Confident	3 Å²	3	76.2 Å²	76.2	2%	0.02	41%	0.41	C	S	.	.			trans	-84	121.5	168.8	-179.8	0	0	0	0	108.7	E446 C447 G448 K449 L457	C444-E446 PolarHBondContact O-N 3.33Å; C444-C447 VanDerWaalsContact SG-SG 3.66Å; C444-G448 WeakPolarHBondContact O-CA 3.25Å; C444-G448 PolarHBondContact O-N 2.67Å; C444-K449 WeakPolarHBondContact CB-O 3.3Å; C444-K449 PolarHBondContact N-O 3.24Å; C444-L457 HydrophobicContact CB-CD1 3.61Å
445	D	83.9	Confident	80.1	Confident	132 Å²	132	77.3 Å²	77.3	71%	0.706	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.9	-177.9	-50.8	-48.2	0	0	0	111.7	R461	D445-R461 IonicContact OD2-CZ 3.19Å; D445-R461 IonicContact OD2-NH2 3.88Å; D445-R461 PolarHBondContact OD2-NH2 2.84Å
446	E	81.7	Confident	80.2	Confident	123 Å²	123	75.2 Å²	75.2	58%	0.575	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-35.2	-176.3	-64.6	-175	-133.2	0	0	114.6	C444 H464	C444-E446 PolarHBondContact O-N 3.33Å; E446-H464 IonicContact OE1-CG 3.67Å; E446-H464 WeakPolarHBondContact OE2-CB 3.43Å; E446-H464 IonicContact OE2-CE1 2.68Å; E446-H464 IonicContact OE2-CG 2.71Å; E446-H464 IonicContact OE2-ND1 3.23Å; E446-H464 PolarHBondContact OE2-ND1 3.31Å
447	C	83.5	Confident	80.4	Confident	56 Å²	56	72.9 Å²	72.9	38%	0.378	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	4.8	-179.4	70	0	0	0	0	114.6	C444 K449 H460	C444-C447 VanDerWaalsContact SG-SG 3.66Å; C447-K449 PolarHBondContact O-N 3.32Å; C447-K449 VanDerWaalsContact SG-CG 3.58Å; C447-H460 PolarHBondContact SG-NE2 3.49Å
448	G	81.1	Confident	80.5	Confident	56 Å²	56	72.6 Å²	72.6	58%	0.577	40%	0.402	S	S	*	.			trans	69.3	-1	-179.8	0	0	0	0	0	115.1	C444 A450	C444-G448 WeakPolarHBondContact O-CA 3.25Å; C444-G448 PolarHBondContact O-N 2.67Å; G448-A450 PolarHBondContact O-N 3.18Å
449	K	82.3	Confident	80.6	Confident	121 Å²	121	74.8 Å²	74.8	53%	0.526	40%	0.4	S	S	.	.			trans	-67.3	131.7	-179.4	-73.7	-178.8	-178.7	175	0	111.2	K443 C444 C447 Y451	K443-K449 CarbonylContact C-O 3.57Å; C444-K449 WeakPolarHBondContact CB-O 3.3Å; C444-K449 PolarHBondContact N-O 3.24Å; C447-K449 PolarHBondContact O-N 3.32Å; C447-K449 VanDerWaalsContact SG-CG 3.58Å; K449-Y451 HydrophobicContact CB-CE2 3.9Å; K449-Y451 WeakPolarHBondContact O-CE2 3.22Å
450	A	83.7	Confident	80.7	Confident	31 Å²	31	70.1 Å²	70.1	26%	0.256	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.7	-177.8	0	0	0	0	0	112.1	K440 Y442 K443 G448	K440-A450 HydrophobicContact CB-CB 3.49Å; K440-A450 VanDerWaalsContact CB-CB 3.49Å; K440-A450 HydrophobicContact CD-CB 4.13Å; K440-A450 WeakPolarHBondContact CD-O 3.48Å; K440-A450 HydrophobicContact CG-CB 4.41Å; Y442-A450 CarbonylContact O-C 3.19Å; Y442-A450 WeakPolarHBondContact O-CA 3.46Å; K443-A450 HydrophobicContact CG-CB 3.85Å; G448-A450 PolarHBondContact O-N 3.18Å
451	Y	81.6	Confident	80.6	Confident	51 Å²	51	69.6 Å²	69.6	20%	0.2	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149	-176.2	-61.4	-89.3	0	0	0	110.9	K440 Y442 K449 Q453 H456 L457 H460	K440-Y451 CarbonylContact C-O 3.49Å; K440-Y451 VanDerWaalsContact C-O 3.26Å; K440-Y451 VanDerWaalsContact CA-O 3.32Å; K440-Y451 WeakPolarHBondContact CA-O 3.34Å; Y442-Y451 WeakPolarHBondContact CD2-O 3.49Å; Y442-Y451 PolarHBondContact N-O 3.21Å; Y442-Y451 VanDerWaalsContact N-O 3.11Å; Y442-Y451 PolarHBondContact O-N 2.97Å; K449-Y451 HydrophobicContact CB-CE2 3.9Å; K449-Y451 WeakPolarHBondContact O-CE2 3.22Å; Y451-Q453 VanDerWaalsContact C-N 3.31Å; Y451-H456 HydrophobicContact CD1-CB 3.79Å; Y451-H456 HydrophobicContact CG-CB 4.25Å; Y451-L457 HydrophobicContact CD2-CB 3.92Å; Y451-L457 HydrophobicContact CD2-CD1 3.82Å; Y451-L457 HydrophobicContact CD2-CG 4.47Å; Y451-L457 HydrophobicContact CE2-CD1 4.04Å; Y451-L457 HydrophobicContact CG-CB 4.29Å; Y451-H460 HydrophobicContact CE1-CB 4.15Å; Y451-H460 HydrophobicContact CE2-CB 3.87Å; Y451-H460 AromaticContact CE2-CD2 3.48Å; Y451-H460 VanDerWaalsContact CE2-CD2 3.48Å; Y451-H460 WeakPolarHBondContact CE2-CD2 3.23Å; Y451-H460 AromaticContact CE2-CG 3.69Å; Y451-H460 AromaticContact CZ-CD2 3.68Å; Y451-H460 AromaticContact CZ-CG 3.42Å; Y451-H460 VanDerWaalsContact CZ-CG 3.42Å; Y451-H460 AromaticContact CZ-ND1 3.95Å; Y451-H460 WeakPolarHBondContact OH-CB 3.5Å; Y451-H460 PolarHBondContact OH-CD2 2.86Å; Y451-H460 VanDerWaalsContact OH-CD2 3.27Å; Y451-H460 PolarHBondContact OH-CE1 3.32Å; Y451-H460 PolarHBondContact OH-ND1 2.97Å
452	T	77.4	Confident	80.6	Confident	40 Å²	40	69.3 Å²	69.3	25%	0.245	36%	0.363	C	S	.	.	S	Bend	trans	-77.4	-18.3	177.2	55.7	0	0	0	0	112.6	R434 K440 Y442	R434-T452 PolarHBondContact NH1-O 3.41Å; K440-T452 HydrophobicContact CG-CG2 3.88Å; Y442-T452 WeakPolarHBondContact CE2-O 3.22Å
453	Q	77.9	Confident	80.5	Confident	71 Å²	71	69.7 Å²	69.7	33%	0.332	37%	0.369	S	S	.	.	S	Bend	trans	-134.4	144.8	-178.6	-57.4	-175.6	21	0	0	111.2	Y451 H456 L457	Y451-Q453 VanDerWaalsContact C-N 3.31Å; Q453-H456 PolarHBondContact O-N 3.48Å; Q453-L457 PolarHBondContact O-N 3.23Å
454	S	74.9	Confident	80.4	Confident	60 Å²	60	66.1 Å²	66.1	42%	0.42	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-38.4	178.6	51.9	0	0	0	0	112.4	Y442 H456 L457 S458	Y442-S454 VanDerWaalsContact CD2-N 3.31Å; Y442-S454 VanDerWaalsContact CE2-N 3.34Å; S454-H456 VanDerWaalsContact C-N 3.28Å; S454-H456 PolarHBondContact O-N 3.02Å; S454-L457 WeakPolarHBondContact O-CB 3.46Å; S454-L457 PolarHBondContact O-N 3.17Å; S454-L457 VanDerWaalsContact O-N 3.08Å; S454-S458 PolarHBondContact O-N 2.91Å; S454-S458 PolarHBondContact O-OG 3.11Å
455	S	74.9	Confident	80	Confident	62 Å²	62	69.7 Å²	69.7	43%	0.434	38%	0.377	S	S	.	.	H	α-helix	trans	-55	-42.7	176.1	50.5	0	0	0	0	112.3	S458 E459	S455-S458 PolarHBondContact O-N 3.18Å; S455-E459 PolarHBondContact O-N 3.5Å
456	H	79.4	Confident	79.7	Confident	77 Å²	77	65.2 Å²	65.2	36%	0.356	36%	0.362	S	S	.	.	H	α-helix	trans	-68.7	-36.3	177.4	-60.6	161.5	0	0	0	112.2	Y451 Q453 S454 H460	Y451-H456 HydrophobicContact CD1-CB 3.79Å; Y451-H456 HydrophobicContact CG-CB 4.25Å; Q453-H456 PolarHBondContact O-N 3.48Å; S454-H456 VanDerWaalsContact C-N 3.28Å; S454-H456 PolarHBondContact O-N 3.02Å; H456-H460 VanDerWaalsContact O-CB 3.24Å; H456-H460 WeakPolarHBondContact O-CB 3.32Å; H456-H460 PolarHBondContact O-N 2.96Å
457	L	80.6	Confident	79.5	Confident	16 Å²	16	64.6 Å²	64.6	8%	0.084	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-44.4	172.3	173.8	63.1	0	0	0	111	K443 C444 Y451 Q453 S454 E459 H460 R461	K443-L457 VanDerWaalsContact O-CD2 3.31Å; K443-L457 WeakPolarHBondContact O-CD2 3.21Å; C444-L457 HydrophobicContact CB-CD1 3.61Å; Y451-L457 HydrophobicContact CD2-CB 3.92Å; Y451-L457 HydrophobicContact CD2-CD1 3.82Å; Y451-L457 HydrophobicContact CD2-CG 4.47Å; Y451-L457 HydrophobicContact CE2-CD1 4.04Å; Y451-L457 HydrophobicContact CG-CB 4.29Å; Q453-L457 PolarHBondContact O-N 3.23Å; S454-L457 WeakPolarHBondContact O-CB 3.46Å; S454-L457 PolarHBondContact O-N 3.17Å; S454-L457 VanDerWaalsContact O-N 3.08Å; L457-E459 VanDerWaalsContact C-N 3.34Å; L457-E459 PolarHBondContact O-N 3.46Å; L457-H460 WeakPolarHBondContact O-CB 3.37Å; L457-H460 PolarHBondContact O-N 3.1Å; L457-R461 HydrophobicContact CD1-CG 4.4Å; L457-R461 WeakPolarHBondContact O-CG 3.4Å; L457-R461 PolarHBondContact O-N 3.19Å
458	S	77.4	Confident	79.3	Confident	70 Å²	70	66.7 Å²	66.7	49%	0.49	36%	0.361	S	S	.	.	H	α-helix	trans	-61	-42	177	-61	0	0	0	0	112	S454 S455 R461	S454-S458 PolarHBondContact O-N 2.91Å; S454-S458 PolarHBondContact O-OG 3.11Å; S455-S458 PolarHBondContact O-N 3.18Å; S458-R461 PolarHBondContact O-N 3.18Å
459	E	76.8	Confident	79.1	Confident	92 Å²	92	67.6 Å²	67.6	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-43.3	173	-173.4	-171.2	149.9	0	0	111.5	S455 L457 R461 R462 T481	S455-E459 PolarHBondContact O-N 3.5Å; L457-E459 VanDerWaalsContact C-N 3.34Å; L457-E459 PolarHBondContact O-N 3.46Å; E459-R461 VanDerWaalsContact C-N 3.34Å; E459-R461 PolarHBondContact O-N 3.33Å; E459-R462 VanDerWaalsContact O-CB 3.28Å; E459-R462 WeakPolarHBondContact O-CB 3.47Å; E459-R462 PolarHBondContact O-N 3.45Å; E459-R462 VanDerWaalsContact O-N 3.16Å; E459-T481 VanDerWaalsContact CD-CG2 3.43Å; E459-T481 HydrophobicContact CG-CG2 3.77Å; E459-T481 WeakPolarHBondContact OE1-CG2 3.37Å
460	H	81.8	Confident	78.9	Confident	13 Å²	13	65.4 Å²	65.4	6%	0.06	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-37.5	178.4	172.2	62.2	0	0	0	113.1	C447 Y451 H456 L457 R462 I463 H464	C447-H460 PolarHBondContact SG-NE2 3.49Å; Y451-H460 HydrophobicContact CE1-CB 4.15Å; Y451-H460 HydrophobicContact CE2-CB 3.87Å; Y451-H460 AromaticContact CE2-CD2 3.48Å; Y451-H460 VanDerWaalsContact CE2-CD2 3.48Å; Y451-H460 WeakPolarHBondContact CE2-CD2 3.23Å; Y451-H460 AromaticContact CE2-CG 3.69Å; Y451-H460 AromaticContact CZ-CD2 3.68Å; Y451-H460 AromaticContact CZ-CG 3.42Å; Y451-H460 VanDerWaalsContact CZ-CG 3.42Å; Y451-H460 AromaticContact CZ-ND1 3.95Å; Y451-H460 WeakPolarHBondContact OH-CB 3.5Å; Y451-H460 PolarHBondContact OH-CD2 2.86Å; Y451-H460 VanDerWaalsContact OH-CD2 3.27Å; Y451-H460 PolarHBondContact OH-CE1 3.32Å; Y451-H460 PolarHBondContact OH-ND1 2.97Å; H456-H460 VanDerWaalsContact O-CB 3.24Å; H456-H460 WeakPolarHBondContact O-CB 3.32Å; H456-H460 PolarHBondContact O-N 2.96Å; L457-H460 WeakPolarHBondContact O-CB 3.37Å; L457-H460 PolarHBondContact O-N 3.1Å; H460-R462 PolarHBondContact O-N 2.78Å; H460-R462 VanDerWaalsContact O-N 3.12Å; H460-I463 VanDerWaalsContact O-CB 3.24Å; H460-I463 WeakPolarHBondContact O-CB 3.31Å; H460-I463 VanDerWaalsContact O-CG1 3.29Å; H460-I463 WeakPolarHBondContact O-CG1 3.5Å; H460-I463 PolarHBondContact O-N 2.84Å; H460-H464 AromaticContact CE1-NE2 3.78Å; H460-H464 AromaticContact NE2-CD2 3.9Å; H460-H464 AromaticContact NE2-NE2 3.42Å; H460-H464 PolarHBondContact NE2-NE2 2.85Å
461	R	79.9	Confident	78.6	Confident	102 Å²	102	69.6 Å²	69.6	39%	0.385	36%	0.36	S	S	.	.	H	α-helix	trans	-56.8	-27	175.7	-75.6	-179	-178.4	-131.7	-6.1	112.4	D445 L457 S458 E459 I463 H464 T465	D445-R461 IonicContact OD2-CZ 3.19Å; D445-R461 IonicContact OD2-NH2 3.88Å; D445-R461 PolarHBondContact OD2-NH2 2.84Å; L457-R461 HydrophobicContact CD1-CG 4.4Å; L457-R461 WeakPolarHBondContact O-CG 3.4Å; L457-R461 PolarHBondContact O-N 3.19Å; S458-R461 PolarHBondContact O-N 3.18Å; E459-R461 VanDerWaalsContact C-N 3.34Å; E459-R461 PolarHBondContact O-N 3.33Å; R461-I463 PolarHBondContact O-N 3.1Å; R461-I463 VanDerWaalsContact O-N 3.16Å; R461-H464 WeakPolarHBondContact O-CB 3.1Å; R461-H464 PolarHBondContact O-N 2.9Å; R461-T465 PolarHBondContact O-N 3.13Å; R461-T465 VanDerWaalsContact O-N 3.13Å; R461-T465 PolarHBondContact O-OG1 2.73Å
462	R	82.3	Confident	78.6	Confident	63 Å²	63	67.1 Å²	67.1	24%	0.238	35%	0.351	C	S	.	.	H	α-helix	trans	-65.8	-14.9	173.8	-57.2	178.4	178.4	170.7	-0.7	114.2	E459 H460 H464 T465 G466 E467 R480	E459-R462 VanDerWaalsContact O-CB 3.28Å; E459-R462 WeakPolarHBondContact O-CB 3.47Å; E459-R462 PolarHBondContact O-N 3.45Å; E459-R462 VanDerWaalsContact O-N 3.16Å; H460-R462 PolarHBondContact O-N 2.78Å; H460-R462 VanDerWaalsContact O-N 3.12Å; R462-H464 VanDerWaalsContact C-N 3.34Å; R462-T465 WeakPolarHBondContact CA-OG1 3.34Å; R462-G466 PolarHBondContact O-N 3.04Å; R462-E467 HydrophobicContact CB-CB 4.46Å; R462-E467 HydrophobicContact CG-CB 4.45Å; R462-R480 PolarHBondContact NH1-O 3.35Å; R462-R480 PolarHBondContact O-NE 3.05Å
463	I	81.6	Confident	78.8	Confident	85 Å²	85	73.4 Å²	73.4	44%	0.436	38%	0.377	S	S	.	.	H	α-helix	trans	-70	-39.2	171.6	-57.6	-175	0	0	0	110.2	H460 R461	H460-I463 VanDerWaalsContact O-CB 3.24Å; H460-I463 WeakPolarHBondContact O-CB 3.31Å; H460-I463 VanDerWaalsContact O-CG1 3.29Å; H460-I463 WeakPolarHBondContact O-CG1 3.5Å; H460-I463 PolarHBondContact O-N 2.84Å; R461-I463 PolarHBondContact O-N 3.1Å; R461-I463 VanDerWaalsContact O-N 3.16Å
464	H	78.9	Confident	79	Confident	65 Å²	65	76.1 Å²	76.1	30%	0.301	39%	0.39	S	S	.	.	H	α-helix	trans	-76.8	-48.9	-177.7	-70.5	-80.7	0	0	0	112.2	E446 H460 R461 R462 G466	E446-H464 IonicContact OE1-CG 3.67Å; E446-H464 WeakPolarHBondContact OE2-CB 3.43Å; E446-H464 IonicContact OE2-CE1 2.68Å; E446-H464 IonicContact OE2-CG 2.71Å; E446-H464 IonicContact OE2-ND1 3.23Å; E446-H464 PolarHBondContact OE2-ND1 3.31Å; H460-H464 AromaticContact CE1-NE2 3.78Å; H460-H464 AromaticContact NE2-CD2 3.9Å; H460-H464 AromaticContact NE2-NE2 3.42Å; H460-H464 PolarHBondContact NE2-NE2 2.85Å; R461-H464 WeakPolarHBondContact O-CB 3.1Å; R461-H464 PolarHBondContact O-N 2.9Å; R462-H464 VanDerWaalsContact C-N 3.34Å; H464-G466 PolarHBondContact O-N 3.4Å
465	T	77.9	Confident	79.4	Confident	78 Å²	78	75.8 Å²	75.8	48%	0.479	39%	0.387	S	S	.	.	S	Bend	trans	-73.3	-14.5	178.7	62.7	0	0	0	0	113	R461 R462 E467	R461-T465 PolarHBondContact O-N 3.13Å; R461-T465 VanDerWaalsContact O-N 3.13Å; R461-T465 PolarHBondContact O-OG1 2.73Å; R462-T465 WeakPolarHBondContact CA-OG1 3.34Å; T465-E467 PolarHBondContact O-N 2.82Å; T465-E467 WeakPolarHBondContact OG1-CG 3.39Å; T465-E467 PolarHBondContact OG1-N 3.09Å
466	G	77.9	Confident	79.7	Confident	38 Å²	38	74.7 Å²	74.7	39%	0.392	39%	0.386	S	S	.	.			trans	72.1	1	-176.3	0	0	0	0	0	114.3	R462 H464 K468	R462-G466 PolarHBondContact O-N 3.04Å; H464-G466 PolarHBondContact O-N 3.4Å; G466-K468 PolarHBondContact O-N 3.5Å
467	E	77.6	Confident	79.7	Confident	109 Å²	109	77.1 Å²	77.1	51%	0.509	40%	0.395	S	S	.	.			trans	-56.3	126	-179.6	-74.8	174.8	-168.9	0	0	111.8	R462 T465	R462-E467 HydrophobicContact CB-CB 4.46Å; R462-E467 HydrophobicContact CG-CB 4.45Å; T465-E467 PolarHBondContact O-N 2.82Å; T465-E467 WeakPolarHBondContact OG1-CG 3.39Å; T465-E467 PolarHBondContact OG1-N 3.09Å
468	K	79.4	Confident	79.6	Confident	100 Å²	100	79.2 Å²	79.2	44%	0.435	41%	0.409	S	S	.	.			trans	-127.9	77.2	174.6	-67.3	176.1	-173.9	176.3	0	109.6	G466 Y470 V478 F479 R480	G466-K468 PolarHBondContact O-N 3.5Å; K468-Y470 PolarHBondContact O-N 3.46Å; K468-Y470 VanDerWaalsContact O-N 3.1Å; K468-V478 HydrophobicContact CB-CB 3.76Å; K468-V478 HydrophobicContact CB-CG2 3.91Å; K468-V478 HydrophobicContact CD-CB 4.22Å; K468-V478 HydrophobicContact CD-CG2 3.55Å; K468-V478 HydrophobicContact CG-CG2 4.4Å; K468-F479 CarbonylContact C-O 3.59Å; K468-F479 VanDerWaalsContact CA-O 3.27Å; K468-F479 WeakPolarHBondContact CA-O 3.43Å; K468-R480 HydrophobicContact CG-CG 3.78Å
469	P	77.5	Confident	79.7	Confident	76 Å²	76	77.9 Å²	77.9	49%	0.494	39%	0.394	S	S	.	.			trans	-67.1	-14.2	-169.9	-21.3	34.1	0	0	0	114.5
470	Y	76.8	Confident	79.4	Confident	74 Å²	74	77.8 Å²	77.8	29%	0.29	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	102	-170.2	-55.5	-79.2	0	0	0	110.5	K468 V478 F479 R480 T481 C482	K468-Y470 PolarHBondContact O-N 3.46Å; K468-Y470 VanDerWaalsContact O-N 3.1Å; Y470-V478 CarbonylContact O-C 3.38Å; Y470-V478 WeakPolarHBondContact O-CA 3.38Å; Y470-F479 PolarHBondContact N-O 3.07Å; Y470-F479 VanDerWaalsContact N-O 3.13Å; Y470-F479 PolarHBondContact O-N 3.36Å; Y470-R480 WeakPolarHBondContact CE2-O 3.1Å; Y470-T481 VanDerWaalsContact CD2-CA 3.49Å; Y470-C482 HydrophobicContact CD1-CB 4.04Å; Y470-C482 HydrophobicContact CE1-CB 3.75Å
471	Q	77.5	Confident	79	Confident	119 Å²	119	78 Å²	78	56%	0.556	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.6	177.8	-172.6	170	-20.6	0	0	111.6	V478 L485	Q471-V478 HydrophobicContact CB-CG1 3.9Å; Q471-V478 HydrophobicContact CG-CG1 3.86Å; Q471-L485 WeakPolarHBondContact O-CD2 3.22Å
472	C	82.2	Confident	78.6	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.397	C	S	.	.			trans	-83.4	118	165.9	179.6	0	0	0	0	109.2	E474 C475 G476 K477 F479 L485 H492	C472-E474 VanDerWaalsContact C-N 3.27Å; C472-E474 PolarHBondContact O-N 2.81Å; C472-C475 VanDerWaalsContact SG-SG 3.64Å; C472-G476 WeakPolarHBondContact O-CA 3.2Å; C472-G476 PolarHBondContact O-N 3.33Å; C472-K477 WeakPolarHBondContact CB-O 3.39Å; C472-K477 PolarHBondContact N-O 3.22Å; C472-F479 HydrophobicContact CB-CE2 4.2Å; C472-L485 HydrophobicContact CB-CD1 3.67Å; C472-H492 PolarHBondContact SG-NE2 3.24Å
473	E	81.8	Confident	78	Confident	171 Å²	171	77.8 Å²	77.8	80%	0.799	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.8	179.6	-67.9	168.5	-179.4	0	0	112.3
474	E	81.3	Confident	77.7	Confident	128 Å²	128	76.4 Å²	76.4	60%	0.598	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-28.7	-175.4	-64.9	169.7	-132.9	0	0	114.2	C472 H492	C472-E474 VanDerWaalsContact C-N 3.27Å; C472-E474 PolarHBondContact O-N 2.81Å; E474-H492 WeakPolarHBondContact OE2-CB 3.46Å; E474-H492 IonicContact OE2-CD2 3.74Å; E474-H492 PolarHBondContact OE2-CD2 3.19Å; E474-H492 VanDerWaalsContact OE2-CD2 3.31Å; E474-H492 IonicContact OE2-CG 3.4Å
475	C	83.2	Confident	77.6	Confident	54 Å²	54	74.2 Å²	74.2	37%	0.365	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	6.5	-177	74.1	0	0	0	0	114.8	C472 K477 H488 H492	C472-C475 VanDerWaalsContact SG-SG 3.64Å; C475-K477 PolarHBondContact O-N 3.32Å; C475-H488 PolarHBondContact SG-NE2 3.43Å; C475-H492 PolarHBondContact SG-CE1 3.41Å; C475-H492 PolarHBondContact SG-NE2 3.06Å
476	G	81.4	Confident	77.4	Confident	39 Å²	39	73.3 Å²	73.3	40%	0.402	40%	0.4	S	S	.	.			trans	68.6	-0.9	179.6	0	0	0	0	0	115.5	C472 V478	C472-G476 WeakPolarHBondContact O-CA 3.2Å; C472-G476 PolarHBondContact O-N 3.33Å; G476-V478 PolarHBondContact O-N 3.31Å
477	K	79.4	Confident	77.2	Confident	127 Å²	127	74.2 Å²	74.2	55%	0.552	40%	0.396	S	S	*	.			trans	-67.4	132.5	-179.6	-74.2	-179.6	-178.5	172.9	0	111.2	C472 C475 F479	C472-K477 WeakPolarHBondContact CB-O 3.39Å; C472-K477 PolarHBondContact N-O 3.22Å; C475-K477 PolarHBondContact O-N 3.32Å; K477-F479 HydrophobicContact CB-CE2 3.8Å; K477-F479 HydrophobicContact CB-CZ 3.92Å; K477-F479 WeakPolarHBondContact O-CD2 3.31Å; K477-F479 VanDerWaalsContact O-CE2 3.26Å; K477-F479 WeakPolarHBondContact O-CE2 3.39Å
478	V	78.4	Confident	77.2	Confident	61 Å²	61	70 Å²	70	37%	0.37	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.7	-178.5	-69.1	0	0	0	0	112.3	K468 Y470 Q471 G476	K468-V478 HydrophobicContact CB-CB 3.76Å; K468-V478 HydrophobicContact CB-CG2 3.91Å; K468-V478 HydrophobicContact CD-CB 4.22Å; K468-V478 HydrophobicContact CD-CG2 3.55Å; K468-V478 HydrophobicContact CG-CG2 4.4Å; Y470-V478 CarbonylContact O-C 3.38Å; Y470-V478 WeakPolarHBondContact O-CA 3.38Å; Q471-V478 HydrophobicContact CB-CG1 3.9Å; Q471-V478 HydrophobicContact CG-CG1 3.86Å; G476-V478 PolarHBondContact O-N 3.31Å
479	F	79.3	Confident	76.8	Confident	41 Å²	41	69.1 Å²	69.1	18%	0.18	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	151.6	-173.9	-59.6	-88.5	0	0	0	111.3	K468 Y470 C472 K477 L485 H488	K468-F479 CarbonylContact C-O 3.59Å; K468-F479 VanDerWaalsContact CA-O 3.27Å; K468-F479 WeakPolarHBondContact CA-O 3.43Å; Y470-F479 PolarHBondContact N-O 3.07Å; Y470-F479 VanDerWaalsContact N-O 3.13Å; Y470-F479 PolarHBondContact O-N 3.36Å; C472-F479 HydrophobicContact CB-CE2 4.2Å; K477-F479 HydrophobicContact CB-CE2 3.8Å; K477-F479 HydrophobicContact CB-CZ 3.92Å; K477-F479 WeakPolarHBondContact O-CD2 3.31Å; K477-F479 VanDerWaalsContact O-CE2 3.26Å; K477-F479 WeakPolarHBondContact O-CE2 3.39Å; F479-L485 HydrophobicContact CB-CB 4.28Å; F479-L485 HydrophobicContact CD2-CB 4.01Å; F479-L485 HydrophobicContact CD2-CD1 3.76Å; F479-L485 HydrophobicContact CD2-CG 4.5Å; F479-L485 HydrophobicContact CE2-CD1 4.01Å; F479-L485 HydrophobicContact CG-CB 4.28Å; F479-H488 HydrophobicContact CE1-CB 3.76Å; F479-H488 AromaticContact CE1-CG 3.95Å; F479-H488 HydrophobicContact CE2-CB 3.87Å; F479-H488 AromaticContact CE2-CD2 3.21Å; F479-H488 WeakPolarHBondContact CE2-CD2 3.41Å; F479-H488 AromaticContact CE2-CG 3.59Å; F479-H488 AromaticContact CE2-NE2 3.95Å; F479-H488 HydrophobicContact CZ-CB 3.36Å; F479-H488 AromaticContact CZ-CD2 3.22Å; F479-H488 WeakPolarHBondContact CZ-CD2 3.37Å; F479-H488 AromaticContact CZ-CG 3.1Å; F479-H488 AromaticContact CZ-ND1 3.74Å; F479-H488 AromaticContact CZ-NE2 3.84Å
480	R	72.4	Confident	76.6	Confident	90 Å²	90	68.9 Å²	68.9	34%	0.34	36%	0.362	S	S	.	.	S	Bend	trans	-80.4	-21.2	178.9	-64.1	-175.7	175.3	142	-3.7	113.5	R462 K468 Y470	R462-R480 PolarHBondContact NH1-O 3.35Å; R462-R480 PolarHBondContact O-NE 3.05Å; K468-R480 HydrophobicContact CG-CG 3.78Å; Y470-R480 WeakPolarHBondContact CE2-O 3.1Å
481	T	71.9	Confident	76.4	Confident	17 Å²	17	68.3 Å²	68.3	10%	0.104	37%	0.366	C	S	.	.	S	Bend	trans	-133.7	150.9	-178.3	71.3	0	0	0	0	112.1	E459 Y470 S483 S484 L485	E459-T481 VanDerWaalsContact CD-CG2 3.43Å; E459-T481 HydrophobicContact CG-CG2 3.77Å; E459-T481 WeakPolarHBondContact OE1-CG2 3.37Å; Y470-T481 VanDerWaalsContact CD2-CA 3.49Å; T481-S483 VanDerWaalsContact C-N 3.33Å; T481-S483 PolarHBondContact O-N 3.01Å; T481-S484 PolarHBondContact O-N 3.26Å; T481-S484 VanDerWaalsContact OG1-CB 3.25Å; T481-S484 WeakPolarHBondContact OG1-CB 3.43Å; T481-S484 PolarHBondContact OG1-N 3.22Å; T481-S484 PolarHBondContact OG1-OG 3.17Å; T481-L485 PolarHBondContact O-N 2.9Å; T481-L485 VanDerWaalsContact O-N 3.16Å
482	C	71.3	Confident	76.2	Confident	74 Å²	74	65.9 Å²	65.9	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-39.4	174.1	-177.2	0	0	0	0	111.7	Y470 S484 L485 S486	Y470-C482 HydrophobicContact CD1-CB 4.04Å; Y470-C482 HydrophobicContact CE1-CB 3.75Å; C482-S484 VanDerWaalsContact C-N 3.35Å; C482-S484 PolarHBondContact O-N 2.86Å; C482-L485 PolarHBondContact O-N 3.48Å; C482-S486 WeakPolarHBondContact O-CB 3.37Å; C482-S486 PolarHBondContact O-N 2.79Å
483	S	71.1	Confident	75.3	Confident	87 Å²	87	67.9 Å²	67.9	61%	0.608	37%	0.368	S	S	*	.	H	α-helix	trans	-63.4	-38.5	177.6	-52.9	0	0	0	0	112.6	T481 S486 N487	T481-S483 VanDerWaalsContact C-N 3.33Å; T481-S483 PolarHBondContact O-N 3.01Å; S483-S486 PolarHBondContact O-N 3.36Å; S483-N487 WeakPolarHBondContact O-CB 3.49Å; S483-N487 PolarHBondContact O-N 3.4Å; S483-N487 PolarHBondContact O-ND2 3.42Å
484	S	74.3	Confident	74.1	Confident	57 Å²	57	68.8 Å²	68.8	40%	0.399	37%	0.372	S	S	.	.	H	α-helix	trans	-66.2	-41	174.1	-66.3	0	0	0	0	112	T481 C482 H488	T481-S484 PolarHBondContact O-N 3.26Å; T481-S484 VanDerWaalsContact OG1-CB 3.25Å; T481-S484 WeakPolarHBondContact OG1-CB 3.43Å; T481-S484 PolarHBondContact OG1-N 3.22Å; T481-S484 PolarHBondContact OG1-OG 3.17Å; C482-S484 VanDerWaalsContact C-N 3.35Å; C482-S484 PolarHBondContact O-N 2.86Å; S484-H488 VanDerWaalsContact O-CB 3.3Å; S484-H488 WeakPolarHBondContact O-CB 3.4Å; S484-H488 PolarHBondContact O-N 3.48Å
485	L	77.4	Confident	72.9	Confident	19 Å²	19	69.2 Å²	69.2	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-46.1	173	173.7	62.4	0	0	0	111.2	Q471 C472 F479 T481 C482 N487 H488 K489	Q471-L485 WeakPolarHBondContact O-CD2 3.22Å; C472-L485 HydrophobicContact CB-CD1 3.67Å; F479-L485 HydrophobicContact CB-CB 4.28Å; F479-L485 HydrophobicContact CD2-CB 4.01Å; F479-L485 HydrophobicContact CD2-CD1 3.76Å; F479-L485 HydrophobicContact CD2-CG 4.5Å; F479-L485 HydrophobicContact CE2-CD1 4.01Å; F479-L485 HydrophobicContact CG-CB 4.28Å; T481-L485 PolarHBondContact O-N 2.9Å; T481-L485 VanDerWaalsContact O-N 3.16Å; C482-L485 PolarHBondContact O-N 3.48Å; L485-N487 PolarHBondContact O-N 2.87Å; L485-H488 CarbonylContact O-C 3.58Å; L485-H488 WeakPolarHBondContact O-CA 3.48Å; L485-H488 WeakPolarHBondContact O-CB 3.42Å; L485-H488 PolarHBondContact O-N 3.02Å; L485-H488 VanDerWaalsContact O-N 3.09Å; L485-K489 HydrophobicContact CD1-CG 4.19Å; L485-K489 HydrophobicContact CG-CG 4.48Å; L485-K489 WeakPolarHBondContact O-CG 3.27Å; L485-K489 PolarHBondContact O-N 3.27Å
486	S	74.3	Confident	71.6	Confident	59 Å²	59	71.6 Å²	71.6	41%	0.413	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-45.5	178.3	179.7	0	0	0	0	111.9	C482 S483 H488 K489 R490	C482-S486 WeakPolarHBondContact O-CB 3.37Å; C482-S486 PolarHBondContact O-N 2.79Å; S483-S486 PolarHBondContact O-N 3.36Å; S486-H488 VanDerWaalsContact C-N 3.28Å; S486-H488 PolarHBondContact O-N 3.32Å; S486-K489 PolarHBondContact O-N 3.06Å; S486-R490 PolarHBondContact O-N 2.79Å
487	N	71.9	Confident	71	Confident	56 Å²	56	73.2 Å²	73.2	30%	0.299	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-33.1	174.4	-75.4	-24.6	0	0	0	112.6	S483 L485 R490	S483-N487 WeakPolarHBondContact O-CB 3.49Å; S483-N487 PolarHBondContact O-N 3.4Å; S483-N487 PolarHBondContact O-ND2 3.42Å; L485-N487 PolarHBondContact O-N 2.87Å; N487-R490 WeakPolarHBondContact O-CB 3.38Å; N487-R490 PolarHBondContact OD1-NH1 2.95Å
488	H	78.7	Confident	70.6	Confident	21 Å²	21	70.1 Å²	70.1	10%	0.097	37%	0.367	C	S	.	.	H	α-helix	trans	-73.2	-36.7	175.4	171.8	61.8	0	0	0	112.8	C475 F479 S484 L485 S486 R490 T491 H492	C475-H488 PolarHBondContact SG-NE2 3.43Å; F479-H488 HydrophobicContact CE1-CB 3.76Å; F479-H488 AromaticContact CE1-CG 3.95Å; F479-H488 HydrophobicContact CE2-CB 3.87Å; F479-H488 AromaticContact CE2-CD2 3.21Å; F479-H488 WeakPolarHBondContact CE2-CD2 3.41Å; F479-H488 AromaticContact CE2-CG 3.59Å; F479-H488 AromaticContact CE2-NE2 3.95Å; F479-H488 HydrophobicContact CZ-CB 3.36Å; F479-H488 AromaticContact CZ-CD2 3.22Å; F479-H488 WeakPolarHBondContact CZ-CD2 3.37Å; F479-H488 AromaticContact CZ-CG 3.1Å; F479-H488 AromaticContact CZ-ND1 3.74Å; F479-H488 AromaticContact CZ-NE2 3.84Å; S484-H488 VanDerWaalsContact O-CB 3.3Å; S484-H488 WeakPolarHBondContact O-CB 3.4Å; S484-H488 PolarHBondContact O-N 3.48Å; L485-H488 CarbonylContact O-C 3.58Å; L485-H488 WeakPolarHBondContact O-CA 3.48Å; L485-H488 WeakPolarHBondContact O-CB 3.42Å; L485-H488 PolarHBondContact O-N 3.02Å; L485-H488 VanDerWaalsContact O-N 3.09Å; S486-H488 VanDerWaalsContact C-N 3.28Å; S486-H488 PolarHBondContact O-N 3.32Å; H488-R490 PolarHBondContact O-N 3.24Å; H488-T491 PolarHBondContact CE1-OG1 3.45Å; H488-T491 PolarHBondContact ND1-OG1 3.2Å; H488-T491 WeakPolarHBondContact O-CA 3.2Å; H488-T491 WeakPolarHBondContact O-CB 3.45Å; H488-T491 PolarHBondContact O-N 3.34Å; H488-T491 PolarHBondContact O-OG1 2.97Å; H488-H492 AromaticContact CD2-NE2 3.89Å; H488-H492 AromaticContact CE1-CE1 3.75Å; H488-H492 AromaticContact CE1-NE2 3.46Å; H488-H492 PolarHBondContact CE1-NE2 3.04Å; H488-H492 AromaticContact NE2-CE1 3.76Å; H488-H492 AromaticContact NE2-NE2 3.08Å; H488-H492 PolarHBondContact NE2-NE2 3.45Å
489	K	71.4	Confident	70.4	Confident	81 Å²	81	70.5 Å²	70.5	35%	0.352	37%	0.37	S	S	.	.	H	α-helix	trans	-57.9	-32.1	175.8	-73.7	-170.6	175.2	-162.1	0	111.9	L485 S486 T491 H492 S493	L485-K489 HydrophobicContact CD1-CG 4.19Å; L485-K489 HydrophobicContact CG-CG 4.48Å; L485-K489 WeakPolarHBondContact O-CG 3.27Å; L485-K489 PolarHBondContact O-N 3.27Å; S486-K489 PolarHBondContact O-N 3.06Å; K489-T491 PolarHBondContact O-N 3.42Å; K489-H492 PolarHBondContact O-N 2.97Å; K489-S493 PolarHBondContact O-N 3.34Å
490	R	72.3	Confident	70.4	Confident	72 Å²	72	68.6 Å²	68.6	27%	0.272	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.5	170.4	-59.9	178.3	178.5	161.8	-0.4	114.6	S486 N487 H488	S486-R490 PolarHBondContact O-N 2.79Å; N487-R490 WeakPolarHBondContact O-CB 3.38Å; N487-R490 PolarHBondContact OD1-NH1 2.95Å; H488-R490 PolarHBondContact O-N 3.24Å
491	T	73.1	Confident	70.5	Confident	62 Å²	62	68.2 Å²	68.2	38%	0.38	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-25.2	172	68.1	0	0	0	0	113	H488 K489 K508	H488-T491 PolarHBondContact CE1-OG1 3.45Å; H488-T491 PolarHBondContact ND1-OG1 3.2Å; H488-T491 WeakPolarHBondContact O-CA 3.2Å; H488-T491 WeakPolarHBondContact O-CB 3.45Å; H488-T491 PolarHBondContact O-N 3.34Å; H488-T491 PolarHBondContact O-OG1 2.97Å; K489-T491 PolarHBondContact O-N 3.42Å; T491-K508 HydrophobicContact CG2-CD 4.21Å; T491-K508 PolarHBondContact O-NZ 2.97Å
492	H	72.7	Confident	70.7	Confident	67 Å²	67	73 Å²	73	31%	0.31	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-32.8	179.5	-52.9	-52	0	0	0	112.5	C472 E474 C475 H488 K489	C472-H492 PolarHBondContact SG-NE2 3.24Å; E474-H492 WeakPolarHBondContact OE2-CB 3.46Å; E474-H492 IonicContact OE2-CD2 3.74Å; E474-H492 PolarHBondContact OE2-CD2 3.19Å; E474-H492 VanDerWaalsContact OE2-CD2 3.31Å; E474-H492 IonicContact OE2-CG 3.4Å; C475-H492 PolarHBondContact SG-CE1 3.41Å; C475-H492 PolarHBondContact SG-NE2 3.06Å; H488-H492 AromaticContact CD2-NE2 3.89Å; H488-H492 AromaticContact CE1-CE1 3.75Å; H488-H492 AromaticContact CE1-NE2 3.46Å; H488-H492 PolarHBondContact CE1-NE2 3.04Å; H488-H492 AromaticContact NE2-CE1 3.76Å; H488-H492 AromaticContact NE2-NE2 3.08Å; H488-H492 PolarHBondContact NE2-NE2 3.45Å; K489-H492 PolarHBondContact O-N 2.97Å
493	S	64	Low	71	Confident	42 Å²	42	72.1 Å²	72.1	29%	0.294	38%	0.379	S	S	.	.	S	Bend	trans	-71.6	140.7	168.3	73.9	0	0	0	0	110.8	K489 E495	K489-S493 PolarHBondContact O-N 3.34Å; S493-E495 PolarHBondContact O-N 3.4Å
494	E	56.6	Low	71.2	Confident	190 Å²	190	70.2 Å²	70.2	89%	0.888	37%	0.373	S	S	*	.			trans	-72.2	-3.1	169.4	-63.9	-160.5	160.5	0	0	112.4	K496	E494-K496 PolarHBondContact O-N 3.27Å
495	E	55.3	Low	71.1	Confident	138 Å²	138	71.4 Å²	71.4	65%	0.645	38%	0.375	S	S	*	.			trans	-62.8	103.4	173.6	-61.1	-173.2	163	0	0	109.8	S493 P497	S493-E495 PolarHBondContact O-N 3.4Å; E495-P497 WeakPolarHBondContact O-CD 3.48Å
496	K	56.9	Low	70.8	Confident	104 Å²	104	74.6 Å²	74.6	45%	0.452	39%	0.391	S	S	.	.			trans	-110.6	87.4	170.2	-62	177.3	-171.7	165.8	0	107.3	E494 Y498 I506	E494-K496 PolarHBondContact O-N 3.27Å; K496-Y498 PolarHBondContact O-N 3.48Å; K496-I506 HydrophobicContact CB-CB 4.06Å; K496-I506 HydrophobicContact CB-CG2 3.26Å; K496-I506 HydrophobicContact CD-CB 3.94Å; K496-I506 HydrophobicContact CD-CD1 4.44Å; K496-I506 HydrophobicContact CD-CG2 4.08Å; K496-I506 HydrophobicContact CG-CG2 4.32Å; K496-I506 VanDerWaalsContact O-CG2 3.23Å; K496-I506 WeakPolarHBondContact O-CG2 3.43Å
497	P	68.7	Low	70.9	Confident	73 Å²	73	73.7 Å²	73.7	47%	0.474	38%	0.38	S	S	.	.			trans	-74.7	-14.6	-165.2	-13.6	29.2	0	0	0	113.3	E495	E495-P497 WeakPolarHBondContact O-CD 3.48Å
498	Y	71.8	Confident	70.7	Confident	61 Å²	61	74.7 Å²	74.7	24%	0.239	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	89.9	-166.2	-53.9	-69.7	0	0	0	111	K496 F507 Q509 L510	K496-Y498 PolarHBondContact O-N 3.48Å; Y498-F507 PolarHBondContact N-O 3.47Å; Y498-F507 PolarHBondContact O-N 3.44Å; Y498-Q509 VanDerWaalsContact CD2-C 3.45Å; Y498-L510 HydrophobicContact CD1-CB 3.99Å; Y498-L510 HydrophobicContact CD1-CD1 3.9Å; Y498-L510 HydrophobicContact CE1-CB 3.78Å; Y498-L510 HydrophobicContact CE1-CD1 4.16Å; Y498-L510 HydrophobicContact CE1-CG 4.43Å; Y498-L510 HydrophobicContact CE2-CB 4.38Å; Y498-L510 HydrophobicContact CG-CB 4.38Å
499	T	72.4	Confident	70.3	Confident	70 Å²	70	76.7 Å²	76.7	43%	0.429	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	137	176.8	-50	0	0	0	0	111.1	I506	T499-I506 HydrophobicContact CG2-CG1 4.45Å
500	C	79.4	Confident	70.4	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.398	C	S	.	.			trans	-79.5	115.7	169.1	-172.6	0	0	0	0	110.1	E502 C503 G504 N505 F507 L513 H516 H520	C500-E502 PolarHBondContact O-N 2.84Å; C500-C503 PolarHBondContact O-N 3.23Å; C500-C503 VanDerWaalsContact SG-SG 3.67Å; C500-G504 VanDerWaalsContact O-CA 3.25Å; C500-G504 WeakPolarHBondContact O-CA 2.81Å; C500-G504 PolarHBondContact O-N 3.08Å; C500-N505 HydrophobicContact CB-CB 4.34Å; C500-N505 WeakPolarHBondContact CB-O 3.43Å; C500-N505 PolarHBondContact N-O 2.78Å; C500-F507 HydrophobicContact CB-CE2 4.09Å; C500-L513 HydrophobicContact CB-CD1 3.64Å; C500-H516 VanDerWaalsContact SG-CD2 3.5Å; C500-H516 PolarHBondContact SG-NE2 3.43Å; C500-H520 PolarHBondContact SG-NE2 2.68Å
501	E	75	Confident	70.5	Confident	82 Å²	82	76.5 Å²	76.5	38%	0.383	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.7	-178.2	-64.4	162.3	-115.6	0	0	113.4	N223 K517	N223-E501 WeakPolarHBondContact CB-OE2 3.31Å; E501-K517 IonicContact OE1-NZ 3.93Å; E501-K517 PolarHBondContact OE1-NZ 3.4Å
502	E	75.4	Confident	70.8	Confident	119 Å²	119	76.1 Å²	76.1	56%	0.556	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-23.4	-173	-63.5	-179.5	-136.1	0	0	113.6	C500 H520	C500-E502 PolarHBondContact O-N 2.84Å; E502-H520 WeakPolarHBondContact OE2-CB 3.44Å; E502-H520 IonicContact OE2-CD2 3.2Å; E502-H520 IonicContact OE2-CG 3.41Å; E502-H520 VanDerWaalsContact OE2-CG 3.23Å; E502-H520 IonicContact OE2-ND1 3.9Å
503	C	77.7	Confident	71.2	Confident	55 Å²	55	73.4 Å²	73.4	37%	0.372	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.6	3.8	-179.3	61.5	0	0	0	0	114.6	C500 N505 H516 H520	C500-C503 PolarHBondContact O-N 3.23Å; C500-C503 VanDerWaalsContact SG-SG 3.67Å; C503-N505 PolarHBondContact O-N 3.16Å; C503-N505 VanDerWaalsContact O-N 3.11Å; C503-N505 PolarHBondContact SG-ND2 3.17Å; C503-H516 PolarHBondContact SG-NE2 3.18Å; C503-H520 PolarHBondContact SG-CE1 3.38Å; C503-H520 PolarHBondContact SG-NE2 2.82Å
504	G	75.9	Confident	71.9	Confident	46 Å²	46	75 Å²	75	47%	0.474	40%	0.395	S	S	.	.			trans	69.9	1	-179	0	0	0	0	0	114.9	C500 I506	C500-G504 VanDerWaalsContact O-CA 3.25Å; C500-G504 WeakPolarHBondContact O-CA 2.81Å; C500-G504 PolarHBondContact O-N 3.08Å; G504-I506 WeakPolarHBondContact O-CG1 2.97Å; G504-I506 PolarHBondContact O-N 3.1Å
505	N	71.2	Confident	73	Confident	83 Å²	83	70.4 Å²	70.4	44%	0.444	37%	0.371	S	S	.	.			trans	-63.8	134.8	179.5	-78	-37.4	0	0	0	111.1	C500 C503 F507 H516	C500-N505 HydrophobicContact CB-CB 4.34Å; C500-N505 WeakPolarHBondContact CB-O 3.43Å; C500-N505 PolarHBondContact N-O 2.78Å; C503-N505 PolarHBondContact O-N 3.16Å; C503-N505 VanDerWaalsContact O-N 3.11Å; C503-N505 PolarHBondContact SG-ND2 3.17Å; N505-F507 HydrophobicContact CB-CE2 3.68Å; N505-F507 HydrophobicContact CB-CZ 3.91Å; N505-F507 WeakPolarHBondContact O-CD2 3.46Å; N505-F507 WeakPolarHBondContact O-CE2 3.3Å; N505-H516 PolarHBondContact ND2-CE1 2.96Å
506	I	72.2	Confident	74.3	Confident	85 Å²	85	65.1 Å²	65.1	44%	0.436	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130	-173.4	-30.9	176.9	0	0	0	111.1	K496 T499 G504	K496-I506 HydrophobicContact CB-CB 4.06Å; K496-I506 HydrophobicContact CB-CG2 3.26Å; K496-I506 HydrophobicContact CD-CB 3.94Å; K496-I506 HydrophobicContact CD-CD1 4.44Å; K496-I506 HydrophobicContact CD-CG2 4.08Å; K496-I506 HydrophobicContact CG-CG2 4.32Å; K496-I506 VanDerWaalsContact O-CG2 3.23Å; K496-I506 WeakPolarHBondContact O-CG2 3.43Å; T499-I506 HydrophobicContact CG2-CG1 4.45Å; G504-I506 WeakPolarHBondContact O-CG1 2.97Å; G504-I506 PolarHBondContact O-N 3.1Å
507	F	75.3	Confident	75.2	Confident	41 Å²	41	63 Å²	63	18%	0.18	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148	-174.8	-60.4	-90.3	0	0	0	111.4	Y498 C500 N505 D512 L513 H516	Y498-F507 PolarHBondContact N-O 3.47Å; Y498-F507 PolarHBondContact O-N 3.44Å; C500-F507 HydrophobicContact CB-CE2 4.09Å; N505-F507 HydrophobicContact CB-CE2 3.68Å; N505-F507 HydrophobicContact CB-CZ 3.91Å; N505-F507 WeakPolarHBondContact O-CD2 3.46Å; N505-F507 WeakPolarHBondContact O-CE2 3.3Å; F507-D512 HydrophobicContact CB-CB 4.47Å; F507-D512 HydrophobicContact CD1-CB 3.92Å; F507-L513 HydrophobicContact CB-CB 4.23Å; F507-L513 HydrophobicContact CD2-CB 4Å; F507-L513 HydrophobicContact CD2-CD1 3.76Å; F507-L513 HydrophobicContact CD2-CG 4.49Å; F507-L513 HydrophobicContact CE2-CD1 4.01Å; F507-L513 HydrophobicContact CG-CB 4.19Å; F507-H516 HydrophobicContact CE1-CB 3.81Å; F507-H516 HydrophobicContact CE2-CB 3.96Å; F507-H516 AromaticContact CE2-CD2 3.27Å; F507-H516 WeakPolarHBondContact CE2-CD2 3.5Å; F507-H516 AromaticContact CE2-CG 3.64Å; F507-H516 AromaticContact CE2-NE2 3.86Å; F507-H516 HydrophobicContact CZ-CB 3.4Å; F507-H516 VanDerWaalsContact CZ-CB 3.4Å; F507-H516 AromaticContact CZ-CD2 3.28Å; F507-H516 WeakPolarHBondContact CZ-CD2 3.32Å; F507-H516 AromaticContact CZ-CG 3.15Å; F507-H516 AromaticContact CZ-ND1 3.67Å; F507-H516 AromaticContact CZ-NE2 3.8Å
508	K	67.8	Low	75.8	Confident	77 Å²	77	62.6 Å²	62.6	34%	0.335	33%	0.328	S	S	.	.	S	Bend	trans	-83.6	-15	177	-59.1	-172	179.5	-163.3	0	112.8	T491	T491-K508 HydrophobicContact CG2-CD 4.21Å; T491-K508 PolarHBondContact O-NZ 2.97Å
509	Q	71.5	Confident	76.1	Confident	63 Å²	63	63.4 Å²	63.4	29%	0.294	34%	0.339	S	S	.	.	S	Bend	trans	-136	142.4	179.6	-56.7	-175.6	13.4	0	0	111.3	Y498 S511 D512 L513	Y498-Q509 VanDerWaalsContact CD2-C 3.45Å; Q509-S511 VanDerWaalsContact C-N 3.29Å; Q509-S511 WeakPolarHBondContact CB-OG 3.47Å; Q509-S511 PolarHBondContact O-N 3.37Å; Q509-S511 PolarHBondContact OE1-OG 3.39Å; Q509-D512 HydrophobicContact CB-CB 4.49Å; Q509-D512 PolarHBondContact O-N 3.44Å; Q509-L513 PolarHBondContact O-N 3.15Å
510	L	73.1	Confident	76.1	Confident	95 Å²	95	63.2 Å²	63.2	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-38.4	175.4	-177.9	61.3	0	0	0	112	Y498 D512 L513 T514	Y498-L510 HydrophobicContact CD1-CB 3.99Å; Y498-L510 HydrophobicContact CD1-CD1 3.9Å; Y498-L510 HydrophobicContact CE1-CB 3.78Å; Y498-L510 HydrophobicContact CE1-CD1 4.16Å; Y498-L510 HydrophobicContact CE1-CG 4.43Å; Y498-L510 HydrophobicContact CE2-CB 4.38Å; Y498-L510 HydrophobicContact CG-CB 4.38Å; L510-D512 PolarHBondContact O-N 3.36Å; L510-L513 HydrophobicContact CD1-CD2 4.31Å; L510-L513 WeakPolarHBondContact O-CB 3.42Å; L510-L513 PolarHBondContact O-N 3.17Å; L510-T514 PolarHBondContact O-N 3.37Å; L510-T514 PolarHBondContact O-OG1 2.94Å
511	S	74.8	Confident	75.8	Confident	54 Å²	54	67 Å²	67	38%	0.378	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-38.1	176.8	51.7	0	0	0	0	112.4	Q509 T514 K515	Q509-S511 VanDerWaalsContact C-N 3.29Å; Q509-S511 WeakPolarHBondContact CB-OG 3.47Å; Q509-S511 PolarHBondContact O-N 3.37Å; Q509-S511 PolarHBondContact OE1-OG 3.39Å; S511-T514 PolarHBondContact O-N 3.12Å; S511-K515 VanDerWaalsContact O-CG 3.29Å; S511-K515 WeakPolarHBondContact O-CG 3.33Å; S511-K515 PolarHBondContact O-N 3.42Å
512	D	79.4	Confident	75.8	Confident	53 Å²	53	65.2 Å²	65.2	28%	0.283	36%	0.361	S	S	.	.	H	α-helix	trans	-76.3	-38.3	179.5	-63.1	-31.4	0	0	0	111.2	F507 Q509 L510 T514 K515 H516	F507-D512 HydrophobicContact CB-CB 4.47Å; F507-D512 HydrophobicContact CD1-CB 3.92Å; Q509-D512 HydrophobicContact CB-CB 4.49Å; Q509-D512 PolarHBondContact O-N 3.44Å; L510-D512 PolarHBondContact O-N 3.36Å; D512-T514 VanDerWaalsContact C-N 3.34Å; D512-T514 PolarHBondContact O-N 2.69Å; D512-K515 PolarHBondContact O-N 3.09Å; D512-K515 IonicContact OD1-NZ 3.73Å; D512-K515 PolarHBondContact OD1-NZ 3.18Å; D512-H516 VanDerWaalsContact O-CB 3.27Å; D512-H516 WeakPolarHBondContact O-CB 3.26Å; D512-H516 PolarHBondContact O-N 3.38Å
513	L	80.5	Confident	75.7	Confident	10 Å²	10	64.9 Å²	64.9	5%	0.052	36%	0.359	C	S	.	.	H	α-helix	trans	-59	-44.8	168.7	175.3	61.7	0	0	0	111.3	C500 F507 Q509 L510 K515 H516 K517	C500-L513 HydrophobicContact CB-CD1 3.64Å; F507-L513 HydrophobicContact CB-CB 4.23Å; F507-L513 HydrophobicContact CD2-CB 4Å; F507-L513 HydrophobicContact CD2-CD1 3.76Å; F507-L513 HydrophobicContact CD2-CG 4.49Å; F507-L513 HydrophobicContact CE2-CD1 4.01Å; F507-L513 HydrophobicContact CG-CB 4.19Å; Q509-L513 PolarHBondContact O-N 3.15Å; L510-L513 HydrophobicContact CD1-CD2 4.31Å; L510-L513 WeakPolarHBondContact O-CB 3.42Å; L510-L513 PolarHBondContact O-N 3.17Å; L513-K515 PolarHBondContact O-N 3.27Å; L513-H516 CarbonylContact O-C 3.26Å; L513-H516 WeakPolarHBondContact O-CB 3.38Å; L513-H516 PolarHBondContact O-N 3.22Å; L513-K517 HydrophobicContact CD1-CG 4.15Å; L513-K517 HydrophobicContact CG-CD 4.49Å; L513-K517 HydrophobicContact CG-CG 4.46Å; L513-K517 WeakPolarHBondContact O-CG 3.31Å; L513-K517 PolarHBondContact O-N 3.42Å
514	T	79.3	Confident	75.8	Confident	77 Å²	77	67.7 Å²	67.7	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-62.1	-42.6	178	-56.1	0	0	0	0	111.9	L510 S511 D512 H516 K517	L510-T514 PolarHBondContact O-N 3.37Å; L510-T514 PolarHBondContact O-OG1 2.94Å; S511-T514 PolarHBondContact O-N 3.12Å; D512-T514 VanDerWaalsContact C-N 3.34Å; D512-T514 PolarHBondContact O-N 2.69Å; T514-H516 VanDerWaalsContact C-N 3.3Å; T514-H516 PolarHBondContact O-N 3.32Å; T514-K517 PolarHBondContact O-N 3.25Å
515	K	79.2	Confident	76.2	Confident	93 Å²	93	69.3 Å²	69.3	40%	0.404	37%	0.367	S	S	.	.	H	α-helix	trans	-63.5	-39.3	174.4	-70.7	168.4	-159.9	157.9	0	111.5	S511 D512 L513 K518	S511-K515 VanDerWaalsContact O-CG 3.29Å; S511-K515 WeakPolarHBondContact O-CG 3.33Å; S511-K515 PolarHBondContact O-N 3.42Å; D512-K515 PolarHBondContact O-N 3.09Å; D512-K515 IonicContact OD1-NZ 3.73Å; D512-K515 PolarHBondContact OD1-NZ 3.18Å; L513-K515 PolarHBondContact O-N 3.27Å; K515-K518 WeakPolarHBondContact O-CB 3.47Å; K515-K518 PolarHBondContact O-N 3.4Å
516	H	81.8	Confident	76.9	Confident	27 Å²	27	69.2 Å²	69.2	13%	0.125	36%	0.361	C	S	.	.	H	α-helix	trans	-69.1	-39.6	178.4	172.5	68.1	0	0	0	112.3	C500 C503 N505 F507 D512 L513 T514 K518 T519 H520	C500-H516 VanDerWaalsContact SG-CD2 3.5Å; C500-H516 PolarHBondContact SG-NE2 3.43Å; C503-H516 PolarHBondContact SG-NE2 3.18Å; N505-H516 PolarHBondContact ND2-CE1 2.96Å; F507-H516 HydrophobicContact CE1-CB 3.81Å; F507-H516 HydrophobicContact CE2-CB 3.96Å; F507-H516 AromaticContact CE2-CD2 3.27Å; F507-H516 WeakPolarHBondContact CE2-CD2 3.5Å; F507-H516 AromaticContact CE2-CG 3.64Å; F507-H516 AromaticContact CE2-NE2 3.86Å; F507-H516 HydrophobicContact CZ-CB 3.4Å; F507-H516 VanDerWaalsContact CZ-CB 3.4Å; F507-H516 AromaticContact CZ-CD2 3.28Å; F507-H516 WeakPolarHBondContact CZ-CD2 3.32Å; F507-H516 AromaticContact CZ-CG 3.15Å; F507-H516 AromaticContact CZ-ND1 3.67Å; F507-H516 AromaticContact CZ-NE2 3.8Å; D512-H516 VanDerWaalsContact O-CB 3.27Å; D512-H516 WeakPolarHBondContact O-CB 3.26Å; D512-H516 PolarHBondContact O-N 3.38Å; L513-H516 CarbonylContact O-C 3.26Å; L513-H516 WeakPolarHBondContact O-CB 3.38Å; L513-H516 PolarHBondContact O-N 3.22Å; T514-H516 VanDerWaalsContact C-N 3.3Å; T514-H516 PolarHBondContact O-N 3.32Å; H516-K518 PolarHBondContact O-N 3.17Å; H516-K518 VanDerWaalsContact O-N 3.08Å; H516-T519 WeakPolarHBondContact O-CB 3.49Å; H516-T519 PolarHBondContact O-N 3.05Å; H516-T519 PolarHBondContact O-OG1 3.25Å; H516-H520 AromaticContact CD2-NE2 3.86Å; H516-H520 AromaticContact CE1-NE2 3.63Å; H516-H520 AromaticContact NE2-NE2 3.16Å; H516-H520 PolarHBondContact NE2-NE2 3.3Å; H516-H520 VanDerWaalsContact NE2-NE2 3.16Å
517	K	77.6	Confident	77.6	Confident	58 Å²	58	70.9 Å²	70.9	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-55.9	-31.2	176.5	-75.8	-171.5	175.6	-165	0	112.7	E501 L513 T514 T519 H520 T521	E501-K517 IonicContact OE1-NZ 3.93Å; E501-K517 PolarHBondContact OE1-NZ 3.4Å; L513-K517 HydrophobicContact CD1-CG 4.15Å; L513-K517 HydrophobicContact CG-CD 4.49Å; L513-K517 HydrophobicContact CG-CG 4.46Å; L513-K517 WeakPolarHBondContact O-CG 3.31Å; L513-K517 PolarHBondContact O-N 3.42Å; T514-K517 PolarHBondContact O-N 3.25Å; K517-T519 PolarHBondContact O-N 3.15Å; K517-H520 PolarHBondContact O-N 3.27Å; K517-H520 VanDerWaalsContact O-N 3.08Å; K517-T521 PolarHBondContact O-N 3.47Å
518	K	79.9	Confident	78.3	Confident	65 Å²	65	69 Å²	69	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-20.8	173.3	-59.9	-175	178.5	-169	0	114.2	K515 H516 H520 T521 G522	K515-K518 WeakPolarHBondContact O-CB 3.47Å; K515-K518 PolarHBondContact O-N 3.4Å; H516-K518 PolarHBondContact O-N 3.17Å; H516-K518 VanDerWaalsContact O-N 3.08Å; K518-H520 VanDerWaalsContact C-N 3.31Å; K518-T521 PolarHBondContact O-OG1 2.74Å; K518-G522 PolarHBondContact O-N 3.48Å
519	T	78.4	Confident	79.3	Confident	78 Å²	78	71.3 Å²	71.3	48%	0.479	37%	0.373	S	S	.	.	H	α-helix	trans	-74.3	-25.6	175.3	66.8	0	0	0	0	112.3	H516 K517	H516-T519 WeakPolarHBondContact O-CB 3.49Å; H516-T519 PolarHBondContact O-N 3.05Å; H516-T519 PolarHBondContact O-OG1 3.25Å; K517-T519 PolarHBondContact O-N 3.15Å
520	H	73.4	Confident	80.1	Confident	66 Å²	66	73.8 Å²	73.8	31%	0.306	39%	0.385	S	S	.	.	H	α-helix	trans	-83.4	-41	177.7	-61.3	-63.1	0	0	0	112.9	C500 E502 C503 H516 K517 K518 G522	C500-H520 PolarHBondContact SG-NE2 2.68Å; E502-H520 WeakPolarHBondContact OE2-CB 3.44Å; E502-H520 IonicContact OE2-CD2 3.2Å; E502-H520 IonicContact OE2-CG 3.41Å; E502-H520 VanDerWaalsContact OE2-CG 3.23Å; E502-H520 IonicContact OE2-ND1 3.9Å; C503-H520 PolarHBondContact SG-CE1 3.38Å; C503-H520 PolarHBondContact SG-NE2 2.82Å; H516-H520 AromaticContact CD2-NE2 3.86Å; H516-H520 AromaticContact CE1-NE2 3.63Å; H516-H520 AromaticContact NE2-NE2 3.16Å; H516-H520 PolarHBondContact NE2-NE2 3.3Å; H516-H520 VanDerWaalsContact NE2-NE2 3.16Å; K517-H520 PolarHBondContact O-N 3.27Å; K517-H520 VanDerWaalsContact O-N 3.08Å; K518-H520 VanDerWaalsContact C-N 3.31Å; H520-G522 PolarHBondContact O-N 2.71Å
521	T	73.1	Confident	80.9	Confident	79 Å²	79	71.9 Å²	71.9	49%	0.485	38%	0.378	S	S	.	.	H	α-helix	trans	-69	-14.6	176.9	60.8	0	0	0	0	112.6	K517 K518 E523	K517-T521 PolarHBondContact O-N 3.47Å; K518-T521 PolarHBondContact O-OG1 2.74Å; T521-E523 PolarHBondContact O-N 3.33Å; T521-E523 VanDerWaalsContact O-N 3.11Å; T521-E523 WeakPolarHBondContact OG1-CB 3.35Å; T521-E523 WeakPolarHBondContact OG1-CG 3.5Å; T521-E523 PolarHBondContact OG1-N 3.26Å
522	G	73.6	Confident	81.3	Confident	45 Å²	45	70.9 Å²	70.9	46%	0.464	38%	0.377	S	S	.	.			trans	67.1	5.7	-174.2	0	0	0	0	0	113.3	K518 H520 K524	K518-G522 PolarHBondContact O-N 3.48Å; H520-G522 PolarHBondContact O-N 2.71Å; G522-K524 PolarHBondContact O-N 3.2Å
523	E	73.2	Confident	81.6	Confident	112 Å²	112	74.3 Å²	74.3	52%	0.523	39%	0.389	S	S	.	.			trans	-60.2	114	178.3	-76.4	178.6	-171.8	0	0	109.4	T521 P525	T521-E523 PolarHBondContact O-N 3.33Å; T521-E523 VanDerWaalsContact O-N 3.11Å; T521-E523 WeakPolarHBondContact OG1-CB 3.35Å; T521-E523 WeakPolarHBondContact OG1-CG 3.5Å; T521-E523 PolarHBondContact OG1-N 3.26Å; E523-P525 VanDerWaalsContact C-CD 3.47Å; E523-P525 WeakPolarHBondContact O-CD 3.39Å
524	K	81.6	Confident	81.8	Confident	114 Å²	114	77.5 Å²	77.5	50%	0.496	41%	0.406	S	S	.	.			trans	-120.2	74.7	175.8	-70.5	166.9	172.9	-175.9	0	108.9	G522 Y526 N534 F535 T536	G522-K524 PolarHBondContact O-N 3.2Å; K524-Y526 PolarHBondContact O-N 2.95Å; K524-Y526 VanDerWaalsContact O-N 3.09Å; K524-N534 HydrophobicContact CB-CB 3.44Å; K524-N534 VanDerWaalsContact CB-CB 3.44Å; K524-N534 HydrophobicContact CD-CB 4.07Å; K524-N534 WeakPolarHBondContact CD-O 3.34Å; K524-N534 HydrophobicContact CG-CB 4.36Å; K524-F535 CarbonylContact C-O 3.59Å; K524-F535 WeakPolarHBondContact CA-O 3.41Å; K524-T536 HydrophobicContact CG-CG2 3.75Å
525	P	82.7	Confident	82.1	Confident	80 Å²	80	75.7 Å²	75.7	52%	0.519	39%	0.392	S	S	.	.			trans	-66.2	-15.9	-171.7	-19.2	32.9	0	0	0	113.5	E523	E523-P525 VanDerWaalsContact C-CD 3.47Å; E523-P525 WeakPolarHBondContact O-CD 3.39Å
526	Y	85.6	Confident	82.1	Confident	82 Å²	82	72.6 Å²	72.6	32%	0.322	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	97.2	-171.8	-56.1	-76.5	0	0	0	110.1	K524 N534 F535 S538	K524-Y526 PolarHBondContact O-N 2.95Å; K524-Y526 VanDerWaalsContact O-N 3.09Å; Y526-N534 CarbonylContact O-C 3.32Å; Y526-N534 WeakPolarHBondContact O-CA 3.39Å; Y526-F535 WeakPolarHBondContact CD2-O 3.13Å; Y526-F535 PolarHBondContact N-O 3.48Å; Y526-F535 PolarHBondContact O-N 3.23Å; Y526-S538 VanDerWaalsContact CD2-N 3.35Å
527	K	87.1	Confident	82	Confident	120 Å²	120	74.3 Å²	74.3	52%	0.522	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	139.8	177.4	-172.7	176.9	175.9	-170.7	0	111.3	N534 L541	K527-N534 VanDerWaalsContact CB-OD1 3.29Å; K527-N534 WeakPolarHBondContact CB-OD1 3.48Å; K527-N534 WeakPolarHBondContact CG-OD1 3.5Å; K527-L541 WeakPolarHBondContact O-CD2 3.38Å
528	C	91.5	Very high	82.3	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.396	C	S	.	.			trans	-85.9	121.2	165	179.8	0	0	0	0	109.3	E530 G532 K533 F535 L541 H548	C528-E530 VanDerWaalsContact C-N 3.28Å; C528-E530 PolarHBondContact O-N 3.19Å; C528-G532 WeakPolarHBondContact O-CA 3.4Å; C528-G532 PolarHBondContact O-N 3.03Å; C528-K533 WeakPolarHBondContact CB-O 3.43Å; C528-K533 PolarHBondContact N-O 3.4Å; C528-F535 HydrophobicContact CB-CE2 4.17Å; C528-L541 HydrophobicContact CB-CD1 3.57Å; C528-H548 PolarHBondContact SG-NE2 2.97Å
529	D	89	Confident	82.4	Confident	127 Å²	127	73.7 Å²	73.7	68%	0.679	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.5	-177.3	-52	-51.6	0	0	0	112.3	K545	D529-K545 IonicContact OD2-NZ 3.1Å
530	E	87.8	Confident	82.8	Confident	115 Å²	115	73.3 Å²	73.3	54%	0.537	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-35.9	-174.7	-63.2	173.1	-116.3	0	0	113.5	C528 H548	C528-E530 VanDerWaalsContact C-N 3.28Å; C528-E530 PolarHBondContact O-N 3.19Å; E530-H548 IonicContact OE1-CD2 3.82Å; E530-H548 WeakPolarHBondContact OE2-CB 3.29Å; E530-H548 IonicContact OE2-CD2 3.9Å; E530-H548 IonicContact OE2-CG 2.87Å
531	C	88.8	Confident	83.4	Confident	54 Å²	54	71.2 Å²	71.2	37%	0.365	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	2.3	-177.3	73.7	0	0	0	0	114.2	K533 H544	C531-K533 PolarHBondContact O-N 2.8Å; C531-K533 VanDerWaalsContact O-N 3.07Å; C531-K533 VanDerWaalsContact SG-CB 3.58Å; C531-K533 VanDerWaalsContact SG-CG 3.57Å; C531-H544 PolarHBondContact SG-NE2 3.25Å
532	G	84.5	Confident	84	Confident	33 Å²	33	72.6 Å²	72.6	34%	0.34	39%	0.389	S	S	.	.			trans	69.2	-1.1	-179.4	0	0	0	0	0	115.6	C528 N534	C528-G532 WeakPolarHBondContact O-CA 3.4Å; C528-G532 PolarHBondContact O-N 3.03Å; G532-N534 PolarHBondContact O-ND2 2.87Å
533	K	84.9	Confident	84.5	Confident	126 Å²	126	73 Å²	73	55%	0.548	38%	0.382	S	S	.	.			trans	-68.4	136.8	-178.4	-71.7	-179.5	-179	176.7	0	111.4	C528 C531 F535	C528-K533 WeakPolarHBondContact CB-O 3.43Å; C528-K533 PolarHBondContact N-O 3.4Å; C531-K533 PolarHBondContact O-N 2.8Å; C531-K533 VanDerWaalsContact O-N 3.07Å; C531-K533 VanDerWaalsContact SG-CB 3.58Å; C531-K533 VanDerWaalsContact SG-CG 3.57Å; K533-F535 HydrophobicContact CB-CE2 3.95Å; K533-F535 HydrophobicContact CB-CZ 4.07Å; K533-F535 WeakPolarHBondContact O-CE2 3.43Å
534	N	85.6	Confident	85.1	Confident	77 Å²	77	68.5 Å²	68.5	41%	0.412	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.9	-178.9	-58.2	-74.7	0	0	0	111.3	K524 Y526 K527 G532	K524-N534 HydrophobicContact CB-CB 3.44Å; K524-N534 VanDerWaalsContact CB-CB 3.44Å; K524-N534 HydrophobicContact CD-CB 4.07Å; K524-N534 WeakPolarHBondContact CD-O 3.34Å; K524-N534 HydrophobicContact CG-CB 4.36Å; Y526-N534 CarbonylContact O-C 3.32Å; Y526-N534 WeakPolarHBondContact O-CA 3.39Å; K527-N534 VanDerWaalsContact CB-OD1 3.29Å; K527-N534 WeakPolarHBondContact CB-OD1 3.48Å; K527-N534 WeakPolarHBondContact CG-OD1 3.5Å; G532-N534 PolarHBondContact O-ND2 2.87Å
535	F	84.4	Confident	85.4	Confident	39 Å²	39	66.6 Å²	66.6	17%	0.171	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.1	-178.8	-59.6	-88.9	0	0	0	111.4	K524 Y526 C528 K533 Q537 N540 L541 H544	K524-F535 CarbonylContact C-O 3.59Å; K524-F535 WeakPolarHBondContact CA-O 3.41Å; Y526-F535 WeakPolarHBondContact CD2-O 3.13Å; Y526-F535 PolarHBondContact N-O 3.48Å; Y526-F535 PolarHBondContact O-N 3.23Å; C528-F535 HydrophobicContact CB-CE2 4.17Å; K533-F535 HydrophobicContact CB-CE2 3.95Å; K533-F535 HydrophobicContact CB-CZ 4.07Å; K533-F535 WeakPolarHBondContact O-CE2 3.43Å; F535-Q537 VanDerWaalsContact C-N 3.33Å; F535-N540 HydrophobicContact CB-CB 4.3Å; F535-N540 HydrophobicContact CD1-CB 4Å; F535-N540 HydrophobicContact CG-CB 4.42Å; F535-L541 HydrophobicContact CB-CB 4.35Å; F535-L541 HydrophobicContact CD2-CB 3.93Å; F535-L541 HydrophobicContact CD2-CD1 3.78Å; F535-L541 HydrophobicContact CD2-CG 4.45Å; F535-L541 HydrophobicContact CE2-CD1 3.93Å; F535-L541 HydrophobicContact CG-CB 4.28Å; F535-H544 HydrophobicContact CE1-CB 3.86Å; F535-H544 AromaticContact CE1-CG 3.96Å; F535-H544 HydrophobicContact CE2-CB 3.92Å; F535-H544 AromaticContact CE2-CD2 3.49Å; F535-H544 VanDerWaalsContact CE2-CD2 3.49Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.49Å; F535-H544 AromaticContact CE2-CG 3.65Å; F535-H544 HydrophobicContact CZ-CB 3.45Å; F535-H544 VanDerWaalsContact CZ-CB 3.45Å; F535-H544 AromaticContact CZ-CD2 3.41Å; F535-H544 VanDerWaalsContact CZ-CD2 3.41Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.39Å; F535-H544 AromaticContact CZ-CE1 3.97Å; F535-H544 AromaticContact CZ-CG 3.13Å; F535-H544 AromaticContact CZ-ND1 3.52Å; F535-H544 AromaticContact CZ-NE2 3.91Å
536	T	79	Confident	85.6	Confident	27 Å²	27	65 Å²	65	17%	0.166	34%	0.337	C	S	.	.	S	Bend	trans	-76.6	-20.3	177.7	54.5	0	0	0	0	113	K524	K524-T536 HydrophobicContact CG-CG2 3.75Å
537	Q	80.5	Confident	85.7	Confident	63 Å²	63	65 Å²	65	29%	0.294	34%	0.342	S	S	.	.	S	Bend	trans	-134.9	141.7	-177.5	-60	-179.6	2.7	0	0	110.9	F535 S539 N540 L541	F535-Q537 VanDerWaalsContact C-N 3.33Å; Q537-S539 VanDerWaalsContact C-N 3.32Å; Q537-S539 PolarHBondContact O-N 3.35Å; Q537-N540 HydrophobicContact CB-CB 4.45Å; Q537-N540 PolarHBondContact O-N 2.99Å; Q537-L541 PolarHBondContact O-N 3Å
538	S	84.3	Confident	85.7	Confident	57 Å²	57	62.4 Å²	62.4	40%	0.399	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-37.3	177.9	54.2	0	0	0	0	112.5	Y526 N540 L541 I542	Y526-S538 VanDerWaalsContact CD2-N 3.35Å; S538-N540 VanDerWaalsContact C-N 3.26Å; S538-N540 PolarHBondContact O-N 3.3Å; S538-L541 WeakPolarHBondContact O-CB 3.23Å; S538-L541 PolarHBondContact O-N 3.37Å; S538-L541 VanDerWaalsContact O-N 3.15Å; S538-I542 WeakPolarHBondContact O-CG1 3.47Å; S538-I542 PolarHBondContact O-N 3.46Å
539	S	82.4	Confident	85.4	Confident	54 Å²	54	66.2 Å²	66.2	38%	0.378	36%	0.355	S	S	.	.	H	α-helix	trans	-57.4	-40.5	175	50.9	0	0	0	0	112.1	Q537 I542 V543	Q537-S539 VanDerWaalsContact C-N 3.32Å; Q537-S539 PolarHBondContact O-N 3.35Å; S539-I542 PolarHBondContact O-N 3.31Å; S539-V543 WeakPolarHBondContact O-CG2 3.49Å; S539-V543 PolarHBondContact O-N 3.43Å
540	N	84.9	Confident	85.2	Confident	70 Å²	70	62.2 Å²	62.2	37%	0.374	34%	0.343	S	S	.	.	H	α-helix	trans	-69.2	-37.1	178.9	-65.1	-11.3	0	0	0	111.1	F535 Q537 S538 H544	F535-N540 HydrophobicContact CB-CB 4.3Å; F535-N540 HydrophobicContact CD1-CB 4Å; F535-N540 HydrophobicContact CG-CB 4.42Å; Q537-N540 HydrophobicContact CB-CB 4.45Å; Q537-N540 PolarHBondContact O-N 2.99Å; S538-N540 VanDerWaalsContact C-N 3.26Å; S538-N540 PolarHBondContact O-N 3.3Å; N540-H544 WeakPolarHBondContact O-CB 3.37Å; N540-H544 PolarHBondContact O-N 3.32Å
541	L	87.5	Confident	85.1	Confident	22 Å²	22	62 Å²	62	12%	0.115	34%	0.342	C	S	.	.	H	α-helix	trans	-63	-45.2	172	173.3	62.2	0	0	0	111.5	K527 C528 F535 Q537 S538 V543 H544 K545	K527-L541 WeakPolarHBondContact O-CD2 3.38Å; C528-L541 HydrophobicContact CB-CD1 3.57Å; F535-L541 HydrophobicContact CB-CB 4.35Å; F535-L541 HydrophobicContact CD2-CB 3.93Å; F535-L541 HydrophobicContact CD2-CD1 3.78Å; F535-L541 HydrophobicContact CD2-CG 4.45Å; F535-L541 HydrophobicContact CE2-CD1 3.93Å; F535-L541 HydrophobicContact CG-CB 4.28Å; Q537-L541 PolarHBondContact O-N 3Å; S538-L541 WeakPolarHBondContact O-CB 3.23Å; S538-L541 PolarHBondContact O-N 3.37Å; S538-L541 VanDerWaalsContact O-N 3.15Å; L541-V543 PolarHBondContact O-N 2.87Å; L541-H544 WeakPolarHBondContact O-CB 3.48Å; L541-H544 PolarHBondContact O-N 2.87Å; L541-H544 VanDerWaalsContact O-N 3.16Å; L541-K545 HydrophobicContact CD1-CG 4.3Å; L541-K545 WeakPolarHBondContact O-CG 3.42Å; L541-K545 PolarHBondContact O-N 3Å
542	I	84.8	Confident	85.1	Confident	108 Å²	108	64.8 Å²	64.8	55%	0.554	35%	0.348	S	S	*	.	H	α-helix	trans	-60	-46.7	178	-67.4	166.1	0	0	0	110.6	S538 S539 H544 K545	S538-I542 WeakPolarHBondContact O-CG1 3.47Å; S538-I542 PolarHBondContact O-N 3.46Å; S539-I542 PolarHBondContact O-N 3.31Å; I542-H544 VanDerWaalsContact C-N 3.3Å; I542-H544 PolarHBondContact O-N 3.42Å; I542-K545 PolarHBondContact O-N 3.45Å
543	V	84.1	Confident	85.2	Confident	52 Å²	52	66.5 Å²	66.5	32%	0.315	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-36.2	177	175.4	0	0	0	0	111.1	S539 L541 R546	S539-V543 WeakPolarHBondContact O-CG2 3.49Å; S539-V543 PolarHBondContact O-N 3.43Å; L541-V543 PolarHBondContact O-N 2.87Å; V543-R546 VanDerWaalsContact O-CB 3.27Å; V543-R546 WeakPolarHBondContact O-CB 3.46Å; V543-R546 WeakPolarHBondContact O-CG 3.25Å; V543-R546 PolarHBondContact O-N 3.42Å
544	H	86.8	Confident	85.4	Confident	18 Å²	18	63.8 Å²	63.8	8%	0.083	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-39.7	176.2	174.7	70.5	0	0	0	112.8	C531 F535 N540 L541 I542 R546 I547 H548	C531-H544 PolarHBondContact SG-NE2 3.25Å; F535-H544 HydrophobicContact CE1-CB 3.86Å; F535-H544 AromaticContact CE1-CG 3.96Å; F535-H544 HydrophobicContact CE2-CB 3.92Å; F535-H544 AromaticContact CE2-CD2 3.49Å; F535-H544 VanDerWaalsContact CE2-CD2 3.49Å; F535-H544 WeakPolarHBondContact CE2-CD2 3.49Å; F535-H544 AromaticContact CE2-CG 3.65Å; F535-H544 HydrophobicContact CZ-CB 3.45Å; F535-H544 VanDerWaalsContact CZ-CB 3.45Å; F535-H544 AromaticContact CZ-CD2 3.41Å; F535-H544 VanDerWaalsContact CZ-CD2 3.41Å; F535-H544 WeakPolarHBondContact CZ-CD2 3.39Å; F535-H544 AromaticContact CZ-CE1 3.97Å; F535-H544 AromaticContact CZ-CG 3.13Å; F535-H544 AromaticContact CZ-ND1 3.52Å; F535-H544 AromaticContact CZ-NE2 3.91Å; N540-H544 WeakPolarHBondContact O-CB 3.37Å; N540-H544 PolarHBondContact O-N 3.32Å; L541-H544 WeakPolarHBondContact O-CB 3.48Å; L541-H544 PolarHBondContact O-N 2.87Å; L541-H544 VanDerWaalsContact O-N 3.16Å; I542-H544 VanDerWaalsContact C-N 3.3Å; I542-H544 PolarHBondContact O-N 3.42Å; H544-R546 PolarHBondContact O-N 3.33Å; H544-I547 VanDerWaalsContact O-CB 3.3Å; H544-I547 WeakPolarHBondContact O-CB 3.29Å; H544-I547 WeakPolarHBondContact O-CG1 3.27Å; H544-I547 PolarHBondContact O-N 3.38Å; H544-H548 AromaticContact CD2-NE2 3.86Å; H544-H548 AromaticContact NE2-CE1 3.8Å; H544-H548 AromaticContact NE2-NE2 3.25Å; H544-H548 PolarHBondContact NE2-NE2 3.47Å
545	K	86.6	Confident	85.6	Confident	74 Å²	74	65.5 Å²	65.5	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-58.2	-19.5	177	-74.4	-171	175.7	-162.1	0	113.1	D529 L541 I542 I547 H548 T549	D529-K545 IonicContact OD2-NZ 3.1Å; L541-K545 HydrophobicContact CD1-CG 4.3Å; L541-K545 WeakPolarHBondContact O-CG 3.42Å; L541-K545 PolarHBondContact O-N 3Å; I542-K545 PolarHBondContact O-N 3.45Å; K545-I547 PolarHBondContact O-N 2.87Å; K545-H548 PolarHBondContact O-N 3.34Å; K545-T549 PolarHBondContact O-N 3.41Å; K545-T549 VanDerWaalsContact O-N 3.09Å; K545-T549 PolarHBondContact O-OG1 2.88Å
546	R	87.6	Confident	85.9	Confident	47 Å²	47	63.7 Å²	63.7	18%	0.177	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-26.2	171.6	-59.6	-178.2	-175.4	174.5	1.1	113.4	V543 H544 H548 T549 G550 E551 M564	V543-R546 VanDerWaalsContact O-CB 3.27Å; V543-R546 WeakPolarHBondContact O-CB 3.46Å; V543-R546 WeakPolarHBondContact O-CG 3.25Å; V543-R546 PolarHBondContact O-N 3.42Å; H544-R546 PolarHBondContact O-N 3.33Å; R546-H548 VanDerWaalsContact C-N 3.32Å; R546-T549 VanDerWaalsContact CA-OG1 3.31Å; R546-T549 WeakPolarHBondContact CA-OG1 3.34Å; R546-G550 WeakPolarHBondContact O-CA 3.38Å; R546-G550 PolarHBondContact O-N 3.07Å; R546-E551 HydrophobicContact CG-CB 4.47Å; R546-E551 PolarHBondContact O-N 2.69Å; R546-M564 HydrophobicContact CB-CG 3.91Å; R546-M564 HydrophobicContact CB-SD 4.06Å; R546-M564 VanDerWaalsContact O-CE 3.25Å; R546-M564 WeakPolarHBondContact O-CE 3.41Å
547	I	86.9	Confident	86.5	Confident	82 Å²	82	69.5 Å²	69.5	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-66.4	-38.6	177.7	-61.6	175.7	0	0	0	110.6	H544 K545 M564 W565	H544-I547 VanDerWaalsContact O-CB 3.3Å; H544-I547 WeakPolarHBondContact O-CB 3.29Å; H544-I547 WeakPolarHBondContact O-CG1 3.27Å; H544-I547 PolarHBondContact O-N 3.38Å; K545-I547 PolarHBondContact O-N 2.87Å; I547-M564 HydrophobicContact CB-SD 4.44Å; I547-M564 HydrophobicContact CG1-SD 3.7Å; I547-W565 HydrophobicContact CD1-CZ2 4.36Å; I547-W565 HydrophobicContact CG1-CZ2 4.47Å
548	H	87.2	Confident	86.8	Confident	65 Å²	65	72.3 Å²	72.3	30%	0.301	37%	0.374	S	S	.	.	H	α-helix	trans	-84.6	-41.9	-177.5	-49.6	-51	0	0	0	112.6	C528 E530 H544 K545 R546 G550	C528-H548 PolarHBondContact SG-NE2 2.97Å; E530-H548 IonicContact OE1-CD2 3.82Å; E530-H548 WeakPolarHBondContact OE2-CB 3.29Å; E530-H548 IonicContact OE2-CD2 3.9Å; E530-H548 IonicContact OE2-CG 2.87Å; H544-H548 AromaticContact CD2-NE2 3.86Å; H544-H548 AromaticContact NE2-CE1 3.8Å; H544-H548 AromaticContact NE2-NE2 3.25Å; H544-H548 PolarHBondContact NE2-NE2 3.47Å; K545-H548 PolarHBondContact O-N 3.34Å; R546-H548 VanDerWaalsContact C-N 3.32Å; H548-G550 PolarHBondContact O-N 2.75Å
549	T	85.8	Confident	87.1	Confident	81 Å²	81	72.4 Å²	72.4	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-70.4	-18.7	176.2	54	0	0	0	0	112.9	K545 R546 E551	K545-T549 PolarHBondContact O-N 3.41Å; K545-T549 VanDerWaalsContact O-N 3.09Å; K545-T549 PolarHBondContact O-OG1 2.88Å; R546-T549 VanDerWaalsContact CA-OG1 3.31Å; R546-T549 WeakPolarHBondContact CA-OG1 3.34Å; T549-E551 PolarHBondContact O-N 2.86Å
550	G	84.8	Confident	87.4	Confident	42 Å²	42	71.6 Å²	71.6	43%	0.433	37%	0.374	S	S	.	.			trans	69.4	10.8	-175.5	0	0	0	0	0	113.8	R546 H548 K552	R546-G550 WeakPolarHBondContact O-CA 3.38Å; R546-G550 PolarHBondContact O-N 3.07Å; H548-G550 PolarHBondContact O-N 2.75Å; G550-K552 PolarHBondContact O-N 2.88Å
551	E	86.1	Confident	87.5	Confident	112 Å²	112	76.1 Å²	76.1	52%	0.523	39%	0.386	S	S	.	.			trans	-58.6	124.6	178.6	-75.8	-176.3	177.8	0	0	111	R546 T549 P553	R546-E551 HydrophobicContact CG-CB 4.47Å; R546-E551 PolarHBondContact O-N 2.69Å; T549-E551 PolarHBondContact O-N 2.86Å; E551-P553 WeakPolarHBondContact O-CD 3.39Å
552	K	87.8	Confident	87.6	Confident	111 Å²	111	78.5 Å²	78.5	48%	0.483	40%	0.402	S	S	.	.			trans	-122.8	78.9	176.6	-67.9	177.2	-173.6	176.5	0	110.4	G550 Y554 V562 F563 M564	G550-K552 PolarHBondContact O-N 2.88Å; K552-Y554 PolarHBondContact O-N 3.25Å; K552-Y554 VanDerWaalsContact O-N 3.13Å; K552-V562 HydrophobicContact CB-CB 3.86Å; K552-V562 HydrophobicContact CB-CG2 3.99Å; K552-V562 HydrophobicContact CD-CB 4.36Å; K552-V562 HydrophobicContact CD-CG2 3.71Å; K552-F563 CarbonylContact C-O 3.53Å; K552-F563 VanDerWaalsContact C-O 3.29Å; K552-F563 WeakPolarHBondContact CA-O 3.48Å; K552-F563 WeakPolarHBondContact CB-O 3.16Å; K552-M564 HydrophobicContact CG-CB 4.34Å
553	P	86.8	Confident	87.7	Confident	70 Å²	70	75.2 Å²	75.2	46%	0.455	38%	0.383	S	S	.	.			trans	-67.5	-15.9	-170.8	-20.4	33.5	0	0	0	114.2	E551	E551-P553 WeakPolarHBondContact O-CD 3.39Å
554	Y	89.4	Confident	87.7	Confident	69 Å²	69	74.2 Å²	74.2	27%	0.271	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	102.1	-169.5	-54.8	-74.4	0	0	0	110.7	K552 V562 F563 M564 W565 F566 I569	K552-Y554 PolarHBondContact O-N 3.25Å; K552-Y554 VanDerWaalsContact O-N 3.13Å; Y554-V562 CarbonylContact O-C 3.53Å; Y554-V562 WeakPolarHBondContact O-CA 3.31Å; Y554-F563 PolarHBondContact N-O 3.13Å; Y554-F563 PolarHBondContact O-N 2.76Å; Y554-M564 WeakPolarHBondContact CD2-O 3.11Å; Y554-M564 WeakPolarHBondContact CE2-O 3.44Å; Y554-W565 VanDerWaalsContact CD2-C 3.48Å; Y554-F566 HydrophobicContact CD1-CB 4.3Å; Y554-F566 HydrophobicContact CD1-CD2 4.02Å; Y554-F566 HydrophobicContact CE1-CB 3.93Å; Y554-F566 AromaticContact CE1-CD2 3.98Å; Y554-F566 HydrophobicContact CE1-CD2 3.98Å; Y554-F566 HydrophobicContact CE1-CG 4.44Å; Y554-F566 HydrophobicContact CE2-CB 4.27Å; Y554-I569 HydrophobicContact CG-CG2 4.35Å
555	K	89.6	Confident	87.6	Confident	113 Å²	113	78.4 Å²	78.4	49%	0.491	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.4	176.9	-170.9	-177.9	176.4	-167.5	0	111.2	V562 I569	K555-V562 HydrophobicContact CB-CG1 4.06Å; K555-V562 HydrophobicContact CG-CG1 3.97Å; K555-I569 WeakPolarHBondContact O-CD1 3.27Å
556	C	91.4	Very high	87.5	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	40%	0.403	C	S	.	.			trans	-78.5	117.6	167.2	178.3	0	0	0	0	108.8	E558 G560 R561 F563 I569 H576	C556-E558 VanDerWaalsContact C-N 3.28Å; C556-E558 PolarHBondContact O-N 2.95Å; C556-G560 WeakPolarHBondContact O-CA 3.46Å; C556-G560 PolarHBondContact O-N 3.06Å; C556-R561 WeakPolarHBondContact CB-O 3.43Å; C556-R561 PolarHBondContact N-O 3.49Å; C556-F563 HydrophobicContact CB-CE2 4.21Å; C556-I569 HydrophobicContact CB-CD1 4.38Å; C556-I569 HydrophobicContact CB-CG1 4.48Å; C556-H576 PolarHBondContact SG-NE2 2.83Å; C556-H576 VanDerWaalsContact SG-NE2 3.36Å
557	E	90.8	Very high	87.4	Confident	150 Å²	150	81.7 Å²	81.7	70%	0.701	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.6	179.5	-60.4	-53.2	144.8	0	0	112.8
558	E	87.8	Confident	87.4	Confident	122 Å²	122	80 Å²	80	57%	0.57	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-34.1	-176.5	-68.1	166.9	-129.9	0	0	113.5	C556 H576	C556-E558 VanDerWaalsContact C-N 3.28Å; C556-E558 PolarHBondContact O-N 2.95Å; E558-H576 WeakPolarHBondContact OE2-CB 3.3Å; E558-H576 IonicContact OE2-CD2 3.95Å; E558-H576 PolarHBondContact OE2-CD2 3.4Å; E558-H576 VanDerWaalsContact OE2-CD2 3.24Å; E558-H576 IonicContact OE2-CG 2.85Å
559	C	90.1	Very high	87.4	Confident	58 Å²	58	77.3 Å²	77.3	39%	0.392	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	5.9	-176.9	73	0	0	0	0	114.5	R561 H572 H576	C559-R561 PolarHBondContact O-N 3.48Å; C559-H572 PolarHBondContact SG-NE2 3.19Å; C559-H576 PolarHBondContact SG-NE2 3.46Å
560	G	88.1	Confident	87.5	Confident	37 Å²	37	76.1 Å²	76.1	38%	0.381	39%	0.386	S	S	.	.			trans	70	-4.9	179.2	0	0	0	0	0	115.8	C556 V562	C556-G560 WeakPolarHBondContact O-CA 3.46Å; C556-G560 PolarHBondContact O-N 3.06Å; G560-V562 PolarHBondContact O-N 2.92Å
561	R	88	Confident	87.5	Confident	166 Å²	166	78.9 Å²	78.9	63%	0.626	39%	0.386	S	S	*	.			trans	-62.8	135.3	-179.9	-77.5	-173.8	175	-172.4	-0	111.5	C556 C559 F563	C556-R561 WeakPolarHBondContact CB-O 3.43Å; C556-R561 PolarHBondContact N-O 3.49Å; C559-R561 PolarHBondContact O-N 3.48Å; R561-F563 HydrophobicContact CB-CE2 3.74Å; R561-F563 HydrophobicContact CB-CZ 3.96Å; R561-F563 WeakPolarHBondContact O-CE2 3.12Å
562	V	89.1	Confident	87.6	Confident	72 Å²	72	74.5 Å²	74.5	44%	0.436	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.5	179.6	-66.6	0	0	0	0	111.6	K552 Y554 K555 G560	K552-V562 HydrophobicContact CB-CB 3.86Å; K552-V562 HydrophobicContact CB-CG2 3.99Å; K552-V562 HydrophobicContact CD-CB 4.36Å; K552-V562 HydrophobicContact CD-CG2 3.71Å; Y554-V562 CarbonylContact O-C 3.53Å; Y554-V562 WeakPolarHBondContact O-CA 3.31Å; K555-V562 HydrophobicContact CB-CG1 4.06Å; K555-V562 HydrophobicContact CG-CG1 3.97Å; G560-V562 PolarHBondContact O-N 2.92Å
563	F	87.7	Confident	87.5	Confident	38 Å²	38	73.8 Å²	73.8	17%	0.167	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.2	-175.5	-60.8	-90.4	0	0	0	110.7	K552 Y554 C556 R561 D568 I569 H572	K552-F563 CarbonylContact C-O 3.53Å; K552-F563 VanDerWaalsContact C-O 3.29Å; K552-F563 WeakPolarHBondContact CA-O 3.48Å; K552-F563 WeakPolarHBondContact CB-O 3.16Å; Y554-F563 PolarHBondContact N-O 3.13Å; Y554-F563 PolarHBondContact O-N 2.76Å; C556-F563 HydrophobicContact CB-CE2 4.21Å; R561-F563 HydrophobicContact CB-CE2 3.74Å; R561-F563 HydrophobicContact CB-CZ 3.96Å; R561-F563 WeakPolarHBondContact O-CE2 3.12Å; F563-D568 HydrophobicContact CB-CB 4.22Å; F563-D568 HydrophobicContact CD1-CB 3.67Å; F563-D568 HydrophobicContact CE1-CB 4.48Å; F563-D568 HydrophobicContact CG-CB 4.24Å; F563-I569 HydrophobicContact CB-CB 4.19Å; F563-I569 HydrophobicContact CD2-CB 3.71Å; F563-I569 HydrophobicContact CD2-CD1 4.49Å; F563-I569 HydrophobicContact CD2-CG1 4.02Å; F563-I569 HydrophobicContact CE2-CB 4.39Å; F563-I569 HydrophobicContact CE2-CG1 4.39Å; F563-I569 HydrophobicContact CG-CB 4.03Å; F563-H572 HydrophobicContact CE1-CB 3.91Å; F563-H572 HydrophobicContact CE2-CB 4.05Å; F563-H572 AromaticContact CE2-CD2 3.33Å; F563-H572 WeakPolarHBondContact CE2-CD2 3.45Å; F563-H572 AromaticContact CE2-CG 3.76Å; F563-H572 HydrophobicContact CZ-CB 3.47Å; F563-H572 VanDerWaalsContact CZ-CB 3.47Å; F563-H572 AromaticContact CZ-CD2 3.3Å; F563-H572 WeakPolarHBondContact CZ-CD2 3.38Å; F563-H572 AromaticContact CZ-CG 3.24Å; F563-H572 AromaticContact CZ-ND1 3.91Å; F563-H572 AromaticContact CZ-NE2 3.94Å
564	M	84.3	Confident	87.4	Confident	32 Å²	32	73 Å²	73	16%	0.158	35%	0.352	C	S	.	.	S	Bend	trans	-77.9	-32.8	178	-171.7	175.4	-68.4	0	0	112.2	R546 I547 K552 Y554	R546-M564 HydrophobicContact CB-CG 3.91Å; R546-M564 HydrophobicContact CB-SD 4.06Å; R546-M564 VanDerWaalsContact O-CE 3.25Å; R546-M564 WeakPolarHBondContact O-CE 3.41Å; I547-M564 HydrophobicContact CB-SD 4.44Å; I547-M564 HydrophobicContact CG1-SD 3.7Å; K552-M564 HydrophobicContact CG-CB 4.34Å; Y554-M564 WeakPolarHBondContact CD2-O 3.11Å; Y554-M564 WeakPolarHBondContact CE2-O 3.44Å
565	W	84.3	Confident	87.2	Confident	106 Å²	106	73.7 Å²	73.7	40%	0.402	36%	0.363	S	S	.	.	S	Bend	trans	-121	145.1	-177.4	-56.9	-48.4	0	0	0	112.6	I547 Y554 S567 D568 I569	I547-W565 HydrophobicContact CD1-CZ2 4.36Å; I547-W565 HydrophobicContact CG1-CZ2 4.47Å; Y554-W565 VanDerWaalsContact CD2-C 3.48Å; W565-S567 VanDerWaalsContact C-N 3.26Å; W565-S567 PolarHBondContact O-N 3.43Å; W565-D568 PolarHBondContact O-N 2.88Å; W565-D568 VanDerWaalsContact O-N 3.13Å; W565-I569 PolarHBondContact O-N 3.23Å
566	F	84.4	Confident	87	Confident	131 Å²	131	71.7 Å²	71.7	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-62.5	-32.7	177.6	-177.8	-98.7	0	0	0	112.8	Y554 D568 I569 T570	Y554-F566 HydrophobicContact CD1-CB 4.3Å; Y554-F566 HydrophobicContact CD1-CD2 4.02Å; Y554-F566 HydrophobicContact CE1-CB 3.93Å; Y554-F566 AromaticContact CE1-CD2 3.98Å; Y554-F566 HydrophobicContact CE1-CD2 3.98Å; Y554-F566 HydrophobicContact CE1-CG 4.44Å; Y554-F566 HydrophobicContact CE2-CB 4.27Å; F566-D568 PolarHBondContact O-N 3.41Å; F566-I569 HydrophobicContact CD2-CG2 4.18Å; F566-I569 WeakPolarHBondContact O-CG2 3.24Å; F566-T570 WeakPolarHBondContact CE1-OG1 3.4Å; F566-T570 WeakPolarHBondContact O-CB 3.45Å; F566-T570 PolarHBondContact O-N 3.29Å; F566-T570 PolarHBondContact O-OG1 2.85Å
567	S	84.8	Confident	86.5	Confident	59 Å²	59	75.6 Å²	75.6	41%	0.413	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-35.6	175.5	51.3	0	0	0	0	112.4	W565 T570 K571	W565-S567 VanDerWaalsContact C-N 3.26Å; W565-S567 PolarHBondContact O-N 3.43Å; S567-T570 PolarHBondContact O-N 3.41Å; S567-K571 VanDerWaalsContact O-CG 3.28Å; S567-K571 WeakPolarHBondContact O-CG 3.41Å; S567-K571 PolarHBondContact O-N 3.23Å
568	D	86.4	Confident	86	Confident	45 Å²	45	70.7 Å²	70.7	24%	0.241	37%	0.37	C	S	.	.	H	α-helix	trans	-78	-43.7	-173.5	-57.6	-19.9	0	0	0	110.8	F563 W565 F566 T570 K571 H572	F563-D568 HydrophobicContact CB-CB 4.22Å; F563-D568 HydrophobicContact CD1-CB 3.67Å; F563-D568 HydrophobicContact CE1-CB 4.48Å; F563-D568 HydrophobicContact CG-CB 4.24Å; W565-D568 PolarHBondContact O-N 2.88Å; W565-D568 VanDerWaalsContact O-N 3.13Å; F566-D568 PolarHBondContact O-N 3.41Å; D568-T570 VanDerWaalsContact C-N 3.25Å; D568-T570 PolarHBondContact O-N 3.47Å; D568-K571 PolarHBondContact O-N 3.3Å; D568-H572 WeakPolarHBondContact O-CB 3.35Å; D568-H572 PolarHBondContact O-N 2.75Å
569	I	88.4	Confident	85.6	Confident	10 Å²	10	70.2 Å²	70.2	5%	0.051	37%	0.367	C	S	.	.	H	α-helix	trans	-61.2	-37.8	171.8	-174.1	171.3	0	0	0	111	Y554 K555 C556 F563 W565 F566 H572 K573	Y554-I569 HydrophobicContact CG-CG2 4.35Å; K555-I569 WeakPolarHBondContact O-CD1 3.27Å; C556-I569 HydrophobicContact CB-CD1 4.38Å; C556-I569 HydrophobicContact CB-CG1 4.48Å; F563-I569 HydrophobicContact CB-CB 4.19Å; F563-I569 HydrophobicContact CD2-CB 3.71Å; F563-I569 HydrophobicContact CD2-CD1 4.49Å; F563-I569 HydrophobicContact CD2-CG1 4.02Å; F563-I569 HydrophobicContact CE2-CB 4.39Å; F563-I569 HydrophobicContact CE2-CG1 4.39Å; F563-I569 HydrophobicContact CG-CB 4.03Å; W565-I569 PolarHBondContact O-N 3.23Å; F566-I569 HydrophobicContact CD2-CG2 4.18Å; F566-I569 WeakPolarHBondContact O-CG2 3.24Å; I569-H572 PolarHBondContact O-N 2.85Å; I569-K573 HydrophobicContact CG1-CG 4.35Å; I569-K573 WeakPolarHBondContact O-CG 3.35Å; I569-K573 PolarHBondContact O-N 2.8Å
570	T	86.6	Confident	85.4	Confident	55 Å²	55	73.1 Å²	73.1	34%	0.337	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-44.7	177.7	-58.1	0	0	0	0	111.3	F566 S567 D568 H572 K573	F566-T570 WeakPolarHBondContact CE1-OG1 3.4Å; F566-T570 WeakPolarHBondContact O-CB 3.45Å; F566-T570 PolarHBondContact O-N 3.29Å; F566-T570 PolarHBondContact O-OG1 2.85Å; S567-T570 PolarHBondContact O-N 3.41Å; D568-T570 VanDerWaalsContact C-N 3.25Å; D568-T570 PolarHBondContact O-N 3.47Å; T570-H572 VanDerWaalsContact C-N 3.31Å; T570-H572 PolarHBondContact O-N 2.99Å; T570-K573 PolarHBondContact O-N 2.94Å
571	K	85.8	Confident	85.3	Confident	100 Å²	100	75 Å²	75	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-63.5	-38.7	174.1	-72.4	170.4	-173.6	176.3	0	111.7	S567 D568 K574	S567-K571 VanDerWaalsContact O-CG 3.28Å; S567-K571 WeakPolarHBondContact O-CG 3.41Å; S567-K571 PolarHBondContact O-N 3.23Å; D568-K571 PolarHBondContact O-N 3.3Å; K571-K574 WeakPolarHBondContact O-CB 3.26Å; K571-K574 PolarHBondContact O-N 3.32Å
572	H	88.1	Confident	85.3	Confident	21 Å²	21	71 Å²	71	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-68.4	-40.3	178.2	171	60.8	0	0	0	112.2	C559 F563 D568 I569 T570 K574 T575 H576	C559-H572 PolarHBondContact SG-NE2 3.19Å; F563-H572 HydrophobicContact CE1-CB 3.91Å; F563-H572 HydrophobicContact CE2-CB 4.05Å; F563-H572 AromaticContact CE2-CD2 3.33Å; F563-H572 WeakPolarHBondContact CE2-CD2 3.45Å; F563-H572 AromaticContact CE2-CG 3.76Å; F563-H572 HydrophobicContact CZ-CB 3.47Å; F563-H572 VanDerWaalsContact CZ-CB 3.47Å; F563-H572 AromaticContact CZ-CD2 3.3Å; F563-H572 WeakPolarHBondContact CZ-CD2 3.38Å; F563-H572 AromaticContact CZ-CG 3.24Å; F563-H572 AromaticContact CZ-ND1 3.91Å; F563-H572 AromaticContact CZ-NE2 3.94Å; D568-H572 WeakPolarHBondContact O-CB 3.35Å; D568-H572 PolarHBondContact O-N 2.75Å; I569-H572 PolarHBondContact O-N 2.85Å; T570-H572 VanDerWaalsContact C-N 3.31Å; T570-H572 PolarHBondContact O-N 2.99Å; H572-K574 PolarHBondContact O-N 3.24Å; H572-K574 VanDerWaalsContact O-N 3.16Å; H572-T575 PolarHBondContact ND1-OG1 3.33Å; H572-T575 WeakPolarHBondContact O-CB 3.39Å; H572-T575 PolarHBondContact O-N 3.48Å; H572-T575 PolarHBondContact O-OG1 3.43Å; H572-H576 AromaticContact CD2-NE2 3.86Å; H572-H576 AromaticContact CE1-CE1 3.72Å; H572-H576 AromaticContact CE1-NE2 3.39Å; H572-H576 PolarHBondContact CE1-NE2 3.17Å; H572-H576 AromaticContact NE2-CD2 4Å; H572-H576 AromaticContact NE2-CE1 3.77Å; H572-H576 AromaticContact NE2-NE2 3.04Å; H572-H576 PolarHBondContact NE2-NE2 2.95Å
573	K	85.5	Confident	85.4	Confident	95 Å²	95	73.2 Å²	73.2	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-56.8	-33.7	176.4	-78.1	-176.3	176.1	-165.3	0	112.5	I569 T570 T575 H576 T577	I569-K573 HydrophobicContact CG1-CG 4.35Å; I569-K573 WeakPolarHBondContact O-CG 3.35Å; I569-K573 PolarHBondContact O-N 2.8Å; T570-K573 PolarHBondContact O-N 2.94Å; K573-T575 PolarHBondContact O-N 3.32Å; K573-H576 PolarHBondContact O-N 3.19Å; K573-T577 PolarHBondContact O-N 2.93Å
574	K	85.6	Confident	85.6	Confident	55 Å²	55	71.4 Å²	71.4	24%	0.239	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-20.1	173.6	-61.4	-177.2	178.4	-170.5	0	113.9	K571 H572 H576 T577 G578	K571-K574 WeakPolarHBondContact O-CB 3.26Å; K571-K574 PolarHBondContact O-N 3.32Å; H572-K574 PolarHBondContact O-N 3.24Å; H572-K574 VanDerWaalsContact O-N 3.16Å; K574-H576 VanDerWaalsContact C-N 3.34Å; K574-T577 PolarHBondContact O-OG1 3.01Å; K574-G578 PolarHBondContact O-N 3.28Å
575	T	85.2	Confident	85.9	Confident	82 Å²	82	75.9 Å²	75.9	50%	0.503	39%	0.385	S	S	.	.	H	α-helix	trans	-75.7	-25.8	175.4	69.7	0	0	0	0	112.4	H572 K573	H572-T575 PolarHBondContact ND1-OG1 3.33Å; H572-T575 WeakPolarHBondContact O-CB 3.39Å; H572-T575 PolarHBondContact O-N 3.48Å; H572-T575 PolarHBondContact O-OG1 3.43Å; K573-T575 PolarHBondContact O-N 3.32Å
576	H	84.2	Confident	86.2	Confident	72 Å²	72	76.5 Å²	76.5	33%	0.333	39%	0.392	S	S	.	.	H	α-helix	trans	-81	-40.9	176.1	-60	-51.6	0	0	0	111.8	C556 E558 C559 H572 K573 K574 G578	C556-H576 PolarHBondContact SG-NE2 2.83Å; C556-H576 VanDerWaalsContact SG-NE2 3.36Å; E558-H576 WeakPolarHBondContact OE2-CB 3.3Å; E558-H576 IonicContact OE2-CD2 3.95Å; E558-H576 PolarHBondContact OE2-CD2 3.4Å; E558-H576 VanDerWaalsContact OE2-CD2 3.24Å; E558-H576 IonicContact OE2-CG 2.85Å; C559-H576 PolarHBondContact SG-NE2 3.46Å; H572-H576 AromaticContact CD2-NE2 3.86Å; H572-H576 AromaticContact CE1-CE1 3.72Å; H572-H576 AromaticContact CE1-NE2 3.39Å; H572-H576 PolarHBondContact CE1-NE2 3.17Å; H572-H576 AromaticContact NE2-CD2 4Å; H572-H576 AromaticContact NE2-CE1 3.77Å; H572-H576 AromaticContact NE2-NE2 3.04Å; H572-H576 PolarHBondContact NE2-NE2 2.95Å; K573-H576 PolarHBondContact O-N 3.19Å; K574-H576 VanDerWaalsContact C-N 3.34Å; H576-G578 PolarHBondContact O-N 3.28Å
577	T	81.4	Confident	86.5	Confident	81 Å²	81	72.9 Å²	72.9	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-73.3	-16.5	177.8	63	0	0	0	0	113.2	K573 K574 E579	K573-T577 PolarHBondContact O-N 2.93Å; K574-T577 PolarHBondContact O-OG1 3.01Å; T577-E579 PolarHBondContact O-N 3.17Å; T577-E579 VanDerWaalsContact O-N 3.15Å; T577-E579 WeakPolarHBondContact OG1-CG 3.36Å; T577-E579 PolarHBondContact OG1-N 3.06Å
578	G	80.3	Confident	86.6	Confident	48 Å²	48	71.5 Å²	71.5	50%	0.495	38%	0.377	S	S	.	.			trans	67.5	7.3	-174.4	0	0	0	0	0	113.7	K574 H576 K580	K574-G578 PolarHBondContact O-N 3.28Å; H576-G578 PolarHBondContact O-N 3.28Å; G578-K580 PolarHBondContact O-N 2.88Å
579	E	79.9	Confident	86.8	Confident	112 Å²	112	75.3 Å²	75.3	52%	0.523	39%	0.392	S	S	.	.			trans	-60.5	120.3	179.9	-76.7	179.2	-175.4	0	0	110.4	T577 P581	T577-E579 PolarHBondContact O-N 3.17Å; T577-E579 VanDerWaalsContact O-N 3.15Å; T577-E579 WeakPolarHBondContact OG1-CG 3.36Å; T577-E579 PolarHBondContact OG1-N 3.06Å; E579-P581 WeakPolarHBondContact O-CD 3.44Å
580	K	84.8	Confident	86.8	Confident	118 Å²	118	78.5 Å²	78.5	51%	0.513	41%	0.409	S	S	.	.			trans	-120.7	76.5	175	-69.6	172.1	176.3	-177	0	109.5	G578 Y582 N590 F591 T592	G578-K580 PolarHBondContact O-N 2.88Å; K580-Y582 PolarHBondContact O-N 2.87Å; K580-Y582 VanDerWaalsContact O-N 3.13Å; K580-N590 HydrophobicContact CB-CB 3.54Å; K580-N590 HydrophobicContact CD-CB 4.12Å; K580-N590 HydrophobicContact CG-CB 4.45Å; K580-F591 CarbonylContact C-O 3.46Å; K580-F591 VanDerWaalsContact C-O 3.24Å; K580-F591 VanDerWaalsContact CA-O 3.24Å; K580-F591 WeakPolarHBondContact CA-O 3.47Å; K580-T592 HydrophobicContact CG-CG2 3.69Å
581	P	85.9	Confident	86.9	Confident	78 Å²	78	77.7 Å²	77.7	51%	0.506	40%	0.401	S	S	.	.			trans	-67.6	-16.2	-171.2	-18.9	32.7	0	0	0	113.8	E579	E579-P581 WeakPolarHBondContact O-CD 3.44Å
582	Y	88.7	Confident	86.8	Confident	80 Å²	80	74.8 Å²	74.8	31%	0.314	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	97.9	-171	-55.4	-75.7	0	0	0	110	K580 N590 F591 T592	K580-Y582 PolarHBondContact O-N 2.87Å; K580-Y582 VanDerWaalsContact O-N 3.13Å; Y582-N590 CarbonylContact O-C 3.53Å; Y582-N590 WeakPolarHBondContact O-CA 3.48Å; Y582-F591 WeakPolarHBondContact CD2-O 3.36Å; Y582-F591 PolarHBondContact N-O 3.19Å; Y582-F591 PolarHBondContact O-N 3.15Å; Y582-T592 WeakPolarHBondContact CE2-O 3.46Å
583	K	90.6	Very high	86.7	Confident	120 Å²	120	76.9 Å²	76.9	52%	0.522	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.2	177.3	-172.4	177.8	175.5	-171.6	0	111.2	N590 L597	K583-N590 WeakPolarHBondContact CB-OD1 3.29Å; K583-N590 WeakPolarHBondContact CG-OD1 3.42Å; K583-L597 WeakPolarHBondContact O-CD2 3.47Å
584	C	92.9	Very high	86.8	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	40%	0.401	C	S	.	.			trans	-85.1	122	165.5	177.5	0	0	0	0	109.4	E586 G588 K589 F591 L597 H604	C584-E586 VanDerWaalsContact C-N 3.3Å; C584-E586 PolarHBondContact O-N 2.89Å; C584-G588 WeakPolarHBondContact O-CA 3.23Å; C584-G588 PolarHBondContact O-N 3.33Å; C584-K589 WeakPolarHBondContact CB-O 3.45Å; C584-K589 PolarHBondContact N-O 2.81Å; C584-F591 HydrophobicContact CB-CE2 4.26Å; C584-L597 HydrophobicContact CB-CD1 3.6Å; C584-H604 PolarHBondContact SG-NE2 3.25Å; C584-H604 VanDerWaalsContact SG-NE2 3.37Å
585	D	90.6	Very high	86.9	Confident	125 Å²	125	75 Å²	75	67%	0.668	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.8	-177.8	-51.7	-52.6	0	0	0	112.3	K601	D585-K601 IonicContact OD2-NZ 3.79Å
586	E	89.4	Confident	87.1	Confident	119 Å²	119	74.4 Å²	74.4	56%	0.556	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-34.4	-175.3	-64.4	172.5	-126.1	0	0	113.6	C584 H604	C584-E586 VanDerWaalsContact C-N 3.3Å; C584-E586 PolarHBondContact O-N 2.89Å; E586-H604 WeakPolarHBondContact OE2-CB 3.27Å; E586-H604 IonicContact OE2-CD2 3.55Å; E586-H604 PolarHBondContact OE2-CD2 3.33Å; E586-H604 IonicContact OE2-CG 3.33Å
587	C	91	Very high	87.4	Confident	55 Å²	55	72 Å²	72	37%	0.372	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	4.5	-177.3	74.6	0	0	0	0	114.7	K589 H600	C587-K589 PolarHBondContact O-N 3.25Å; C587-K589 VanDerWaalsContact O-N 3.07Å; C587-H600 PolarHBondContact SG-NE2 2.93Å
588	G	88.3	Confident	87.8	Confident	30 Å²	30	72.8 Å²	72.8	31%	0.309	39%	0.391	S	S	.	.			trans	70.4	-1.7	178.2	0	0	0	0	0	115.9	C584 N590	C584-G588 WeakPolarHBondContact O-CA 3.23Å; C584-G588 PolarHBondContact O-N 3.33Å; G588-N590 PolarHBondContact O-ND2 2.79Å
589	K	89.3	Confident	88.2	Confident	125 Å²	125	72.3 Å²	72.3	54%	0.543	38%	0.378	S	S	.	.			trans	-66.9	135.5	-178.7	-73	-179.1	-178.8	176.8	0	111.5	C584 C587 F591	C584-K589 WeakPolarHBondContact CB-O 3.45Å; C584-K589 PolarHBondContact N-O 2.81Å; C587-K589 PolarHBondContact O-N 3.25Å; C587-K589 VanDerWaalsContact O-N 3.07Å; K589-F591 HydrophobicContact CB-CE2 3.88Å; K589-F591 HydrophobicContact CB-CZ 4.07Å; K589-F591 WeakPolarHBondContact O-CE2 3.43Å
590	N	89.8	Confident	88.7	Confident	78 Å²	78	67.8 Å²	67.8	42%	0.417	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142	-179.5	-59.1	-77	0	0	0	111.4	K580 Y582 K583 G588	K580-N590 HydrophobicContact CB-CB 3.54Å; K580-N590 HydrophobicContact CD-CB 4.12Å; K580-N590 HydrophobicContact CG-CB 4.45Å; Y582-N590 CarbonylContact O-C 3.53Å; Y582-N590 WeakPolarHBondContact O-CA 3.48Å; K583-N590 WeakPolarHBondContact CB-OD1 3.29Å; K583-N590 WeakPolarHBondContact CG-OD1 3.42Å; G588-N590 PolarHBondContact O-ND2 2.79Å
591	F	87.1	Confident	89	Confident	38 Å²	38	65.6 Å²	65.6	17%	0.167	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.1	-178	-60.5	-89.9	0	0	0	111.1	K580 Y582 C584 K589 Q593 N596 L597 H600	K580-F591 CarbonylContact C-O 3.46Å; K580-F591 VanDerWaalsContact C-O 3.24Å; K580-F591 VanDerWaalsContact CA-O 3.24Å; K580-F591 WeakPolarHBondContact CA-O 3.47Å; Y582-F591 WeakPolarHBondContact CD2-O 3.36Å; Y582-F591 PolarHBondContact N-O 3.19Å; Y582-F591 PolarHBondContact O-N 3.15Å; C584-F591 HydrophobicContact CB-CE2 4.26Å; K589-F591 HydrophobicContact CB-CE2 3.88Å; K589-F591 HydrophobicContact CB-CZ 4.07Å; K589-F591 WeakPolarHBondContact O-CE2 3.43Å; F591-Q593 VanDerWaalsContact C-N 3.34Å; F591-N596 HydrophobicContact CB-CB 4.27Å; F591-N596 HydrophobicContact CD1-CB 3.85Å; F591-N596 HydrophobicContact CG-CB 4.34Å; F591-L597 HydrophobicContact CB-CB 4.41Å; F591-L597 HydrophobicContact CD2-CB 4Å; F591-L597 HydrophobicContact CD2-CD1 3.85Å; F591-L597 HydrophobicContact CE2-CD1 4Å; F591-L597 HydrophobicContact CG-CB 4.33Å; F591-H600 HydrophobicContact CE1-CB 3.9Å; F591-H600 HydrophobicContact CE2-CB 3.94Å; F591-H600 AromaticContact CE2-CD2 3.49Å; F591-H600 VanDerWaalsContact CE2-CD2 3.49Å; F591-H600 WeakPolarHBondContact CE2-CD2 3.46Å; F591-H600 AromaticContact CE2-CG 3.66Å; F591-H600 HydrophobicContact CZ-CB 3.43Å; F591-H600 VanDerWaalsContact CZ-CB 3.43Å; F591-H600 AromaticContact CZ-CD2 3.49Å; F591-H600 VanDerWaalsContact CZ-CD2 3.49Å; F591-H600 WeakPolarHBondContact CZ-CD2 3.46Å; F591-H600 AromaticContact CZ-CG 3.18Å; F591-H600 AromaticContact CZ-ND1 3.63Å
592	T	84.8	Confident	89.2	Confident	39 Å²	39	64.1 Å²	64.1	24%	0.239	33%	0.332	C	S	.	.	S	Bend	trans	-77.7	-19.8	176.9	54.3	0	0	0	0	113	K580 Y582	K580-T592 HydrophobicContact CG-CG2 3.69Å; Y582-T592 WeakPolarHBondContact CE2-O 3.46Å
593	Q	85.3	Confident	89.2	Confident	64 Å²	64	65.9 Å²	65.9	30%	0.299	35%	0.345	S	S	.	.	S	Bend	trans	-134.4	142.7	-177.5	-57.9	-176.3	15.3	0	0	111	F591 S595 N596 L597	F591-Q593 VanDerWaalsContact C-N 3.34Å; Q593-S595 VanDerWaalsContact C-N 3.34Å; Q593-S595 PolarHBondContact O-N 3.21Å; Q593-N596 PolarHBondContact O-N 2.81Å; Q593-L597 PolarHBondContact O-N 3.16Å
594	S	88.1	Confident	89.1	Confident	58 Å²	58	63.5 Å²	63.5	41%	0.406	34%	0.336	S	S	.	.	H	α-helix	trans	-64.6	-36	178.4	55.9	0	0	0	0	113	N596 L597 I598	S594-N596 VanDerWaalsContact C-N 3.27Å; S594-N596 PolarHBondContact O-N 2.99Å; S594-L597 WeakPolarHBondContact O-CB 3.46Å; S594-L597 PolarHBondContact O-N 3.01Å; S594-L597 VanDerWaalsContact O-N 3.14Å; S594-I598 WeakPolarHBondContact O-CG1 3.47Å; S594-I598 PolarHBondContact O-N 3.39Å
595	S	87.4	Confident	88.9	Confident	53 Å²	53	67.2 Å²	67.2	37%	0.371	36%	0.359	S	S	.	.	H	α-helix	trans	-58.4	-40.2	175.5	51.4	0	0	0	0	112	Q593 L597 I598 V599	Q593-S595 VanDerWaalsContact C-N 3.34Å; Q593-S595 PolarHBondContact O-N 3.21Å; S595-L597 VanDerWaalsContact C-N 3.34Å; S595-I598 PolarHBondContact O-N 3.46Å; S595-V599 WeakPolarHBondContact O-CG2 3.47Å; S595-V599 PolarHBondContact O-N 3Å
596	N	89	Confident	88.7	Confident	69 Å²	69	63.6 Å²	63.6	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-68.1	-36.9	178.3	-64.6	-6.4	0	0	0	111	F591 Q593 S594 H600	F591-N596 HydrophobicContact CB-CB 4.27Å; F591-N596 HydrophobicContact CD1-CB 3.85Å; F591-N596 HydrophobicContact CG-CB 4.34Å; Q593-N596 PolarHBondContact O-N 2.81Å; S594-N596 VanDerWaalsContact C-N 3.27Å; S594-N596 PolarHBondContact O-N 2.99Å; N596-H600 WeakPolarHBondContact O-CB 3.42Å; N596-H600 PolarHBondContact O-N 3Å
597	L	91.1	Very high	88.7	Confident	21 Å²	21	63.3 Å²	63.3	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-44.8	172.3	174.1	62	0	0	0	111.5	K583 C584 F591 Q593 S594 S595 V599 H600 K601	K583-L597 WeakPolarHBondContact O-CD2 3.47Å; C584-L597 HydrophobicContact CB-CD1 3.6Å; F591-L597 HydrophobicContact CB-CB 4.41Å; F591-L597 HydrophobicContact CD2-CB 4Å; F591-L597 HydrophobicContact CD2-CD1 3.85Å; F591-L597 HydrophobicContact CE2-CD1 4Å; F591-L597 HydrophobicContact CG-CB 4.33Å; Q593-L597 PolarHBondContact O-N 3.16Å; S594-L597 WeakPolarHBondContact O-CB 3.46Å; S594-L597 PolarHBondContact O-N 3.01Å; S594-L597 VanDerWaalsContact O-N 3.14Å; S595-L597 VanDerWaalsContact C-N 3.34Å; L597-V599 PolarHBondContact O-N 3.12Å; L597-H600 WeakPolarHBondContact O-CB 3.48Å; L597-H600 PolarHBondContact O-N 3.17Å; L597-K601 HydrophobicContact CD1-CG 4.25Å; L597-K601 WeakPolarHBondContact O-CG 3.1Å; L597-K601 PolarHBondContact O-N 3.09Å
598	I	89.6	Confident	88.7	Confident	99 Å²	99	66.6 Å²	66.6	51%	0.508	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-47.6	178.1	-67.4	166	0	0	0	110.7	S594 S595 H600 K601 R602	S594-I598 WeakPolarHBondContact O-CG1 3.47Å; S594-I598 PolarHBondContact O-N 3.39Å; S595-I598 PolarHBondContact O-N 3.46Å; I598-H600 VanDerWaalsContact C-N 3.28Å; I598-H600 PolarHBondContact O-N 2.82Å; I598-K601 PolarHBondContact O-N 3.2Å; I598-R602 PolarHBondContact O-N 3.37Å
599	V	89.2	Confident	88.7	Confident	37 Å²	37	68.6 Å²	68.6	22%	0.224	37%	0.365	C	S	.	.	H	α-helix	trans	-62.6	-38.9	176.8	171	0	0	0	0	111.1	S595 L597 R602 Q621	S595-V599 WeakPolarHBondContact O-CG2 3.47Å; S595-V599 PolarHBondContact O-N 3Å; L597-V599 PolarHBondContact O-N 3.12Å; V599-R602 WeakPolarHBondContact O-CB 3.33Å; V599-R602 PolarHBondContact O-N 3.33Å; V599-Q621 HydrophobicContact CG1-CG 3.56Å
600	H	91.1	Very high	88.9	Confident	17 Å²	17	66.1 Å²	66.1	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-40.5	176	172.2	69.6	0	0	0	112.6	C587 F591 N596 L597 I598 R602 I603 H604	C587-H600 PolarHBondContact SG-NE2 2.93Å; F591-H600 HydrophobicContact CE1-CB 3.9Å; F591-H600 HydrophobicContact CE2-CB 3.94Å; F591-H600 AromaticContact CE2-CD2 3.49Å; F591-H600 VanDerWaalsContact CE2-CD2 3.49Å; F591-H600 WeakPolarHBondContact CE2-CD2 3.46Å; F591-H600 AromaticContact CE2-CG 3.66Å; F591-H600 HydrophobicContact CZ-CB 3.43Å; F591-H600 VanDerWaalsContact CZ-CB 3.43Å; F591-H600 AromaticContact CZ-CD2 3.49Å; F591-H600 VanDerWaalsContact CZ-CD2 3.49Å; F591-H600 WeakPolarHBondContact CZ-CD2 3.46Å; F591-H600 AromaticContact CZ-CG 3.18Å; F591-H600 AromaticContact CZ-ND1 3.63Å; N596-H600 WeakPolarHBondContact O-CB 3.42Å; N596-H600 PolarHBondContact O-N 3Å; L597-H600 WeakPolarHBondContact O-CB 3.48Å; L597-H600 PolarHBondContact O-N 3.17Å; I598-H600 VanDerWaalsContact C-N 3.28Å; I598-H600 PolarHBondContact O-N 2.82Å; H600-R602 PolarHBondContact O-N 3.27Å; H600-R602 VanDerWaalsContact O-N 3.16Å; H600-I603 VanDerWaalsContact O-CB 3.25Å; H600-I603 WeakPolarHBondContact O-CB 3.36Å; H600-I603 WeakPolarHBondContact O-CG1 3.32Å; H600-I603 PolarHBondContact O-N 3.15Å; H600-H604 AromaticContact CD2-NE2 3.84Å; H600-H604 AromaticContact CE1-NE2 3.71Å; H600-H604 AromaticContact NE2-CE1 3.8Å; H600-H604 AromaticContact NE2-NE2 3.1Å; H600-H604 PolarHBondContact NE2-NE2 3.18Å; H600-H604 VanDerWaalsContact NE2-NE2 3.1Å
601	K	89.5	Confident	88.9	Confident	73 Å²	73	69.1 Å²	69.1	32%	0.317	36%	0.362	S	S	.	.	H	α-helix	trans	-57.8	-28.5	177	-75.6	-171.4	175.5	-160.8	0	112.5	D585 L597 I598 I603 H604 T605	D585-K601 IonicContact OD2-NZ 3.79Å; L597-K601 HydrophobicContact CD1-CG 4.25Å; L597-K601 WeakPolarHBondContact O-CG 3.1Å; L597-K601 PolarHBondContact O-N 3.09Å; I598-K601 PolarHBondContact O-N 3.2Å; K601-I603 PolarHBondContact O-N 2.94Å; K601-I603 VanDerWaalsContact O-N 3.17Å; K601-H604 PolarHBondContact O-N 2.9Å; K601-T605 PolarHBondContact O-N 2.58Å; K601-T605 VanDerWaalsContact O-N 3.15Å; K601-T605 PolarHBondContact O-OG1 2.89Å
602	R	91.1	Very high	89.2	Confident	47 Å²	47	67.3 Å²	67.3	18%	0.177	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-20	173.9	-60.7	179.1	-177.4	166.7	-0.2	114.1	I598 V599 H600 H604 T605 G606 E607 T620	I598-R602 PolarHBondContact O-N 3.37Å; V599-R602 WeakPolarHBondContact O-CB 3.33Å; V599-R602 PolarHBondContact O-N 3.33Å; H600-R602 PolarHBondContact O-N 3.27Å; H600-R602 VanDerWaalsContact O-N 3.16Å; R602-H604 VanDerWaalsContact C-N 3.35Å; R602-T605 WeakPolarHBondContact CA-OG1 3.34Å; R602-G606 CarbonylContact O-C 3.58Å; R602-G606 WeakPolarHBondContact O-CA 3.38Å; R602-G606 PolarHBondContact O-N 3.31Å; R602-E607 HydrophobicContact CB-CB 4.46Å; R602-E607 HydrophobicContact CG-CB 4.39Å; R602-E607 PolarHBondContact O-N 3.45Å; R602-T620 WeakPolarHBondContact CD-O 3.34Å; R602-T620 PolarHBondContact NH1-O 2.98Å
603	I	88.7	Confident	89.5	Confident	116 Å²	116	74.4 Å²	74.4	60%	0.595	38%	0.384	S	S	*	.	H	α-helix	trans	-70.3	-37.9	175.2	-59	175.3	0	0	0	110	H600 K601	H600-I603 VanDerWaalsContact O-CB 3.25Å; H600-I603 WeakPolarHBondContact O-CB 3.36Å; H600-I603 WeakPolarHBondContact O-CG1 3.32Å; H600-I603 PolarHBondContact O-N 3.15Å; K601-I603 PolarHBondContact O-N 2.94Å; K601-I603 VanDerWaalsContact O-N 3.17Å
604	H	88.9	Confident	89.6	Confident	71 Å²	71	77.8 Å²	77.8	33%	0.329	40%	0.398	S	S	.	.	H	α-helix	trans	-79.4	-40.2	-179.7	-52.4	-52.5	0	0	0	112.1	C584 E586 H600 K601 R602 G606	C584-H604 PolarHBondContact SG-NE2 3.25Å; C584-H604 VanDerWaalsContact SG-NE2 3.37Å; E586-H604 WeakPolarHBondContact OE2-CB 3.27Å; E586-H604 IonicContact OE2-CD2 3.55Å; E586-H604 PolarHBondContact OE2-CD2 3.33Å; E586-H604 IonicContact OE2-CG 3.33Å; H600-H604 AromaticContact CD2-NE2 3.84Å; H600-H604 AromaticContact CE1-NE2 3.71Å; H600-H604 AromaticContact NE2-CE1 3.8Å; H600-H604 AromaticContact NE2-NE2 3.1Å; H600-H604 PolarHBondContact NE2-NE2 3.18Å; H600-H604 VanDerWaalsContact NE2-NE2 3.1Å; K601-H604 PolarHBondContact O-N 2.9Å; R602-H604 VanDerWaalsContact C-N 3.35Å; H604-G606 VanDerWaalsContact C-N 3.28Å; H604-G606 PolarHBondContact O-N 3.38Å
605	T	87.7	Confident	89.9	Confident	78 Å²	78	77.6 Å²	77.6	48%	0.479	40%	0.396	S	S	.	.	H	α-helix	trans	-77	-15.4	177.4	63.6	0	0	0	0	113.2	K601 R602 E607	K601-T605 PolarHBondContact O-N 2.58Å; K601-T605 VanDerWaalsContact O-N 3.15Å; K601-T605 PolarHBondContact O-OG1 2.89Å; R602-T605 WeakPolarHBondContact CA-OG1 3.34Å; T605-E607 PolarHBondContact O-N 3.17Å; T605-E607 WeakPolarHBondContact OG1-CG 3.37Å; T605-E607 PolarHBondContact OG1-N 3.42Å
606	G	86.8	Confident	89.9	Confident	48 Å²	48	76.7 Å²	76.7	50%	0.495	40%	0.396	S	S	.	.			trans	69.4	6.7	-173.9	0	0	0	0	0	114.3	R602 H604 K608	R602-G606 CarbonylContact O-C 3.58Å; R602-G606 WeakPolarHBondContact O-CA 3.38Å; R602-G606 PolarHBondContact O-N 3.31Å; H604-G606 VanDerWaalsContact C-N 3.28Å; H604-G606 PolarHBondContact O-N 3.38Å; G606-K608 PolarHBondContact O-N 3.3Å
607	E	89.1	Confident	90	Very high	113 Å²	113	79.5 Å²	79.5	53%	0.528	40%	0.404	S	S	.	.			trans	-62.2	123.9	-178.2	-77.1	-179	178.9	0	0	111.8	R602 T605 P609	R602-E607 HydrophobicContact CB-CB 4.46Å; R602-E607 HydrophobicContact CG-CB 4.39Å; R602-E607 PolarHBondContact O-N 3.45Å; T605-E607 PolarHBondContact O-N 3.17Å; T605-E607 WeakPolarHBondContact OG1-CG 3.37Å; T605-E607 PolarHBondContact OG1-N 3.42Å; E607-P609 WeakPolarHBondContact O-CD 3.42Å
608	K	90.1	Very high	90.1	Very high	124 Å²	124	80.4 Å²	80.4	54%	0.539	42%	0.415	S	S	.	.			trans	-124.2	79.9	176.8	-70.3	172.2	176.9	-175.6	0	110.2	G606 Y610 A618 F619 T620	G606-K608 PolarHBondContact O-N 3.3Å; K608-Y610 PolarHBondContact O-N 2.91Å; K608-A618 HydrophobicContact CB-CB 3.66Å; K608-A618 HydrophobicContact CD-CB 4.31Å; K608-F619 CarbonylContact C-O 3.59Å; K608-F619 VanDerWaalsContact CA-O 3.31Å; K608-F619 WeakPolarHBondContact CA-O 3.32Å; K608-T620 HydrophobicContact CG-CG2 3.78Å
609	P	90.1	Very high	90.1	Very high	72 Å²	72	77.6 Å²	77.6	47%	0.468	40%	0.399	S	S	.	.			trans	-67.6	-20.1	-171.5	-20.9	33.5	0	0	0	114.3	E607	E607-P609 WeakPolarHBondContact O-CD 3.42Å
610	Y	91.6	Very high	90.1	Very high	74 Å²	74	77.3 Å²	77.3	29%	0.29	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	106.3	-170.7	-54.7	-74.2	0	0	0	110.1	K608 A618 F619 F622	K608-Y610 PolarHBondContact O-N 2.91Å; Y610-A618 CarbonylContact O-C 3.24Å; Y610-A618 VanDerWaalsContact O-CA 3.27Å; Y610-A618 WeakPolarHBondContact O-CA 3.4Å; Y610-F619 PolarHBondContact N-O 3.44Å; Y610-F619 PolarHBondContact O-N 3.21Å; Y610-F622 HydrophobicContact CD1-CB 3.95Å; Y610-F622 AromaticContact CD1-CD2 3.79Å; Y610-F622 HydrophobicContact CD1-CD2 3.79Å; Y610-F622 HydrophobicContact CD1-CG 4.37Å; Y610-F622 HydrophobicContact CD2-CB 4.44Å; Y610-F622 VanDerWaalsContact CD2-N 3.34Å; Y610-F622 HydrophobicContact CE1-CB 3.77Å; Y610-F622 HydrophobicContact CE1-CD2 4.08Å; Y610-F622 HydrophobicContact CE1-CG 4.36Å; Y610-F622 HydrophobicContact CE2-CB 4.26Å; Y610-F622 HydrophobicContact CG-CB 4.27Å
611	K	90.4	Very high	90	Very high	140 Å²	140	79.7 Å²	79.7	61%	0.609	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.1	-178.4	-168.3	178.5	177.9	-176.2	0	110.4	E613 G616	K611-E613 PolarHBondContact O-N 3.18Å; K611-G616 VanDerWaalsContact CE-O 3.27Å; K611-G616 WeakPolarHBondContact CE-O 3.17Å; K611-G616 WeakPolarHBondContact CG-O 3.29Å
612	C	93.4	Very high	90.1	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.418	C	S	.	.			trans	-70.1	122.6	170.1	178	0	0	0	0	109.3	K614 G616 K617 F619 L625	C612-K614 VanDerWaalsContact C-N 3.32Å; C612-K614 PolarHBondContact O-N 3.42Å; C612-G616 WeakPolarHBondContact O-CA 3.33Å; C612-G616 PolarHBondContact O-N 2.97Å; C612-K617 WeakPolarHBondContact CB-O 3.19Å; C612-K617 PolarHBondContact N-O 3.32Å; C612-F619 HydrophobicContact CB-CE2 4.39Å; C612-L625 HydrophobicContact CB-CD1 3.64Å
613	E	90.9	Very high	90	Very high	188 Å²	188	82.4 Å²	82.4	88%	0.879	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-34.2	179.3	-64.3	-170.4	160.7	0	0	112	K611	K611-E613 PolarHBondContact O-N 3.18Å
614	K	88.8	Confident	90.2	Very high	135 Å²	135	81.1 Å²	81.1	59%	0.587	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-39	-176.4	-65.2	-177.9	176.9	177.9	0	113.7	C612 H632	C612-K614 VanDerWaalsContact C-N 3.32Å; C612-K614 PolarHBondContact O-N 3.42Å; K614-H632 HydrophobicContact CD-CB 3.31Å; K614-H632 PolarHBondContact NZ-O 2.89Å
615	C	92.8	Very high	90.3	Very high	54 Å²	54	78.2 Å²	78.2	37%	0.365	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	0.3	-173.6	75.2	0	0	0	0	114.5	K617 H628	C615-K617 PolarHBondContact O-N 3.24Å; C615-K617 VanDerWaalsContact O-N 3.13Å; C615-H628 PolarHBondContact SG-NE2 3.12Å
616	G	88.6	Confident	90.4	Very high	35 Å²	35	77.5 Å²	77.5	36%	0.361	40%	0.403	S	S	.	.			trans	72.1	-1.9	178.8	0	0	0	0	0	116	K611 C612	K611-G616 VanDerWaalsContact CE-O 3.27Å; K611-G616 WeakPolarHBondContact CE-O 3.17Å; K611-G616 WeakPolarHBondContact CG-O 3.29Å; C612-G616 WeakPolarHBondContact O-CA 3.33Å; C612-G616 PolarHBondContact O-N 2.97Å
617	K	91.5	Very high	90.6	Very high	128 Å²	128	80 Å²	80	56%	0.557	41%	0.408	S	S	*	.			trans	-65.8	133.3	178.7	-73.5	-178.2	178.9	177.8	0	111.1	C612 C615 F619	C612-K617 WeakPolarHBondContact CB-O 3.19Å; C612-K617 PolarHBondContact N-O 3.32Å; C615-K617 PolarHBondContact O-N 3.24Å; C615-K617 VanDerWaalsContact O-N 3.13Å; K617-F619 HydrophobicContact CB-CE2 3.95Å; K617-F619 HydrophobicContact CB-CZ 4.03Å; K617-F619 WeakPolarHBondContact O-CE2 3.42Å
618	A	92	Very high	90.7	Very high	39 Å²	39	75.7 Å²	75.7	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.3	179.9	0	0	0	0	0	112.3	K608 Y610	K608-A618 HydrophobicContact CB-CB 3.66Å; K608-A618 HydrophobicContact CD-CB 4.31Å; Y610-A618 CarbonylContact O-C 3.24Å; Y610-A618 VanDerWaalsContact O-CA 3.27Å; Y610-A618 WeakPolarHBondContact O-CA 3.4Å
619	F	90.4	Very high	90.7	Very high	40 Å²	40	73.1 Å²	73.1	18%	0.175	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.5	-174.8	-58.2	-88.3	0	0	0	111	K608 Y610 C612 K617 Q621 H624 L625 H628	K608-F619 CarbonylContact C-O 3.59Å; K608-F619 VanDerWaalsContact CA-O 3.31Å; K608-F619 WeakPolarHBondContact CA-O 3.32Å; Y610-F619 PolarHBondContact N-O 3.44Å; Y610-F619 PolarHBondContact O-N 3.21Å; C612-F619 HydrophobicContact CB-CE2 4.39Å; K617-F619 HydrophobicContact CB-CE2 3.95Å; K617-F619 HydrophobicContact CB-CZ 4.03Å; K617-F619 WeakPolarHBondContact O-CE2 3.42Å; F619-Q621 VanDerWaalsContact C-N 3.33Å; F619-H624 HydrophobicContact CB-CB 4.14Å; F619-H624 HydrophobicContact CD1-CB 3.82Å; F619-H624 HydrophobicContact CG-CB 4.2Å; F619-L625 HydrophobicContact CD2-CB 3.95Å; F619-L625 HydrophobicContact CD2-CD1 3.9Å; F619-L625 HydrophobicContact CE2-CD1 3.99Å; F619-L625 HydrophobicContact CG-CB 4.42Å; F619-H628 HydrophobicContact CE1-CB 4.06Å; F619-H628 HydrophobicContact CE2-CB 3.84Å; F619-H628 AromaticContact CE2-CD2 3.58Å; F619-H628 AromaticContact CE2-CG 3.73Å; F619-H628 HydrophobicContact CZ-CB 3.43Å; F619-H628 VanDerWaalsContact CZ-CB 3.43Å; F619-H628 AromaticContact CZ-CD2 3.53Å; F619-H628 AromaticContact CZ-CG 3.26Å; F619-H628 AromaticContact CZ-ND1 3.82Å
620	T	88.4	Confident	90.6	Very high	31 Å²	31	73 Å²	73	19%	0.19	38%	0.379	C	S	.	.	S	Bend	trans	-77.9	-19.5	178	54.9	0	0	0	0	112.9	R602 K608	R602-T620 WeakPolarHBondContact CD-O 3.34Å; R602-T620 PolarHBondContact NH1-O 2.98Å; K608-T620 HydrophobicContact CG-CG2 3.78Å
621	Q	89.9	Confident	90.6	Very high	67 Å²	67	75.3 Å²	75.3	31%	0.313	40%	0.395	S	S	.	.	S	Bend	trans	-135.1	144.5	-178	-62.7	-175.7	47	0	0	111.1	V599 F619 S623 H624 L625	V599-Q621 HydrophobicContact CG1-CG 3.56Å; F619-Q621 VanDerWaalsContact C-N 3.33Å; Q621-S623 PolarHBondContact O-N 3.05Å; Q621-H624 PolarHBondContact O-N 3.16Å; Q621-L625 PolarHBondContact O-N 3.18Å
622	F	89.8	Confident	90.3	Very high	119 Å²	119	71.8 Å²	71.8	52%	0.522	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-37.3	178.9	-176.5	-104.4	0	0	0	112.5	Y610 H624 L625 T626	Y610-F622 HydrophobicContact CD1-CB 3.95Å; Y610-F622 AromaticContact CD1-CD2 3.79Å; Y610-F622 HydrophobicContact CD1-CD2 3.79Å; Y610-F622 HydrophobicContact CD1-CG 4.37Å; Y610-F622 HydrophobicContact CD2-CB 4.44Å; Y610-F622 VanDerWaalsContact CD2-N 3.34Å; Y610-F622 HydrophobicContact CE1-CB 3.77Å; Y610-F622 HydrophobicContact CE1-CD2 4.08Å; Y610-F622 HydrophobicContact CE1-CG 4.36Å; Y610-F622 HydrophobicContact CE2-CB 4.26Å; Y610-F622 HydrophobicContact CG-CB 4.27Å; F622-H624 VanDerWaalsContact C-N 3.27Å; F622-H624 PolarHBondContact O-N 3.11Å; F622-L625 HydrophobicContact CD2-CD2 4.27Å; F622-L625 HydrophobicContact CE2-CD2 4.3Å; F622-L625 CarbonylContact O-C 3.51Å; F622-L625 WeakPolarHBondContact O-CA 3.19Å; F622-L625 WeakPolarHBondContact O-CB 3.33Å; F622-L625 PolarHBondContact O-N 3.42Å; F622-T626 WeakPolarHBondContact CE1-OG1 3.33Å; F622-T626 PolarHBondContact O-N 3.36Å; F622-T626 PolarHBondContact O-OG1 3.45Å; F622-T626 VanDerWaalsContact O-OG1 3.12Å
623	S	90.4	Very high	89.1	Confident	59 Å²	59	79 Å²	79	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-57	-39.9	176.4	50	0	0	0	0	112.6	Q621 L625 T626 V627	Q621-S623 PolarHBondContact O-N 3.05Å; S623-L625 VanDerWaalsContact C-N 3.34Å; S623-T626 PolarHBondContact O-N 3.47Å; S623-V627 WeakPolarHBondContact O-CG2 3.34Å; S623-V627 PolarHBondContact O-N 3.08Å
624	H	91.6	Very high	89	Confident	89 Å²	89	73.6 Å²	73.6	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-68	-35.6	176	-61.8	171.9	0	0	0	111.8	F619 Q621 F622 H628	F619-H624 HydrophobicContact CB-CB 4.14Å; F619-H624 HydrophobicContact CD1-CB 3.82Å; F619-H624 HydrophobicContact CG-CB 4.2Å; Q621-H624 PolarHBondContact O-N 3.16Å; F622-H624 VanDerWaalsContact C-N 3.27Å; F622-H624 PolarHBondContact O-N 3.11Å; H624-H628 VanDerWaalsContact O-CB 3.27Å; H624-H628 WeakPolarHBondContact O-CB 3.42Å; H624-H628 PolarHBondContact O-N 3.38Å
625	L	91.3	Very high	89	Confident	9 Å²	9	70.3 Å²	70.3	5%	0.047	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-48.5	172	173	63.8	0	0	0	110.6	C612 F619 Q621 F622 S623 V627 H628 E629	C612-L625 HydrophobicContact CB-CD1 3.64Å; F619-L625 HydrophobicContact CD2-CB 3.95Å; F619-L625 HydrophobicContact CD2-CD1 3.9Å; F619-L625 HydrophobicContact CE2-CD1 3.99Å; F619-L625 HydrophobicContact CG-CB 4.42Å; Q621-L625 PolarHBondContact O-N 3.18Å; F622-L625 HydrophobicContact CD2-CD2 4.27Å; F622-L625 HydrophobicContact CE2-CD2 4.3Å; F622-L625 CarbonylContact O-C 3.51Å; F622-L625 WeakPolarHBondContact O-CA 3.19Å; F622-L625 WeakPolarHBondContact O-CB 3.33Å; F622-L625 PolarHBondContact O-N 3.42Å; S623-L625 VanDerWaalsContact C-N 3.34Å; L625-V627 VanDerWaalsContact C-N 3.33Å; L625-V627 PolarHBondContact O-N 3.24Å; L625-H628 CarbonylContact O-C 3.19Å; L625-H628 WeakPolarHBondContact O-CA 3.36Å; L625-H628 WeakPolarHBondContact O-CB 2.9Å; L625-H628 PolarHBondContact O-N 3.28Å; L625-E629 HydrophobicContact CD1-CG 3.84Å; L625-E629 HydrophobicContact CG-CG 4.17Å; L625-E629 WeakPolarHBondContact O-CG 3Å; L625-E629 PolarHBondContact O-N 3.34Å
626	T	90.6	Very high	88.8	Confident	64 Å²	64	71.2 Å²	71.2	39%	0.393	39%	0.394	S	S	.	.	H	α-helix	trans	-58.3	-44.2	179.9	-50.7	0	0	0	0	112.2	F622 S623 H628 E629 S630	F622-T626 WeakPolarHBondContact CE1-OG1 3.33Å; F622-T626 PolarHBondContact O-N 3.36Å; F622-T626 PolarHBondContact O-OG1 3.45Å; F622-T626 VanDerWaalsContact O-OG1 3.12Å; S623-T626 PolarHBondContact O-N 3.47Å; T626-H628 VanDerWaalsContact C-N 3.28Å; T626-H628 PolarHBondContact O-N 3.45Å; T626-E629 PolarHBondContact O-N 2.82Å; T626-S630 PolarHBondContact O-N 2.91Å; T626-S630 VanDerWaalsContact O-N 3.17Å
627	V	91	Very high	88.9	Confident	100 Å²	100	73.4 Å²	73.4	61%	0.606	40%	0.396	S	S	*	.	H	α-helix	trans	-66.2	-32.4	175.1	173.9	0	0	0	0	111.6	S623 L625 S630	S623-V627 WeakPolarHBondContact O-CG2 3.34Å; S623-V627 PolarHBondContact O-N 3.08Å; L625-V627 VanDerWaalsContact C-N 3.33Å; L625-V627 PolarHBondContact O-N 3.24Å; V627-S630 PolarHBondContact O-OG 3.22Å
628	H	90.8	Very high	88.7	Confident	22 Å²	22	69.9 Å²	69.9	10%	0.102	39%	0.386	C	S	.	.	H	α-helix	trans	-73.1	-38.1	175	179.2	66	0	0	0	112.4	C615 F619 H624 L625 T626 S630 I631 H632	C615-H628 PolarHBondContact SG-NE2 3.12Å; F619-H628 HydrophobicContact CE1-CB 4.06Å; F619-H628 HydrophobicContact CE2-CB 3.84Å; F619-H628 AromaticContact CE2-CD2 3.58Å; F619-H628 AromaticContact CE2-CG 3.73Å; F619-H628 HydrophobicContact CZ-CB 3.43Å; F619-H628 VanDerWaalsContact CZ-CB 3.43Å; F619-H628 AromaticContact CZ-CD2 3.53Å; F619-H628 AromaticContact CZ-CG 3.26Å; F619-H628 AromaticContact CZ-ND1 3.82Å; H624-H628 VanDerWaalsContact O-CB 3.27Å; H624-H628 WeakPolarHBondContact O-CB 3.42Å; H624-H628 PolarHBondContact O-N 3.38Å; L625-H628 CarbonylContact O-C 3.19Å; L625-H628 WeakPolarHBondContact O-CA 3.36Å; L625-H628 WeakPolarHBondContact O-CB 2.9Å; L625-H628 PolarHBondContact O-N 3.28Å; T626-H628 VanDerWaalsContact C-N 3.28Å; T626-H628 PolarHBondContact O-N 3.45Å; H628-S630 PolarHBondContact O-N 3.35Å; H628-I631 VanDerWaalsContact O-CB 3.3Å; H628-I631 WeakPolarHBondContact O-CB 3.2Å; H628-I631 PolarHBondContact O-N 3.36Å; H628-H632 AromaticContact CD2-NE2 3.62Å; H628-H632 AromaticContact CE1-NE2 3.47Å; H628-H632 PolarHBondContact CE1-NE2 2.76Å; H628-H632 AromaticContact NE2-CD2 3.8Å; H628-H632 AromaticContact NE2-CE1 3.92Å; H628-H632 AromaticContact NE2-NE2 2.93Å; H628-H632 PolarHBondContact NE2-NE2 3.34Å; H628-H632 PolarHBondContact O-CD2 3.5Å
629	E	89.5	Confident	88.5	Confident	71 Å²	71	72 Å²	72	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-32.4	177.4	-76.6	175	160.5	0	0	112.1	L625 T626 I631 H632 T633	L625-E629 HydrophobicContact CD1-CG 3.84Å; L625-E629 HydrophobicContact CG-CG 4.17Å; L625-E629 WeakPolarHBondContact O-CG 3Å; L625-E629 PolarHBondContact O-N 3.34Å; T626-E629 PolarHBondContact O-N 2.82Å; E629-I631 PolarHBondContact O-N 3.14Å; E629-H632 PolarHBondContact O-N 3.17Å; E629-T633 PolarHBondContact O-N 2.69Å
630	S	89.8	Confident	88.3	Confident	68 Å²	68	74.3 Å²	74.3	48%	0.476	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.5	174	69.1	0	0	0	0	114.3	T626 V627 H628 T633	T626-S630 PolarHBondContact O-N 2.91Å; T626-S630 VanDerWaalsContact O-N 3.17Å; V627-S630 PolarHBondContact O-OG 3.22Å; H628-S630 PolarHBondContact O-N 3.35Å; S630-T633 VanDerWaalsContact CA-OG1 3.27Å; S630-T633 WeakPolarHBondContact CA-OG1 3.27Å; S630-T633 PolarHBondContact O-OG1 3.12Å
631	I	90.8	Very high	88.3	Confident	123 Å²	123	77.6 Å²	77.6	63%	0.631	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-21.7	172.2	-54.3	171	0	0	0	110.5	H628 E629	H628-I631 VanDerWaalsContact O-CB 3.3Å; H628-I631 WeakPolarHBondContact O-CB 3.2Å; H628-I631 PolarHBondContact O-N 3.36Å; E629-I631 PolarHBondContact O-N 3.14Å
632	H	83	Confident	88.2	Confident	67 Å²	67	78.5 Å²	78.5	31%	0.31	43%	0.431	S	S	.	.			trans	-96.9	1.9	177.8	-58.9	-74.5	0	0	0	113.3	K614 H628 E629	K614-H632 HydrophobicContact CD-CB 3.31Å; K614-H632 PolarHBondContact NZ-O 2.89Å; H628-H632 AromaticContact CD2-NE2 3.62Å; H628-H632 AromaticContact CE1-NE2 3.47Å; H628-H632 PolarHBondContact CE1-NE2 2.76Å; H628-H632 AromaticContact NE2-CD2 3.8Å; H628-H632 AromaticContact NE2-CE1 3.92Å; H628-H632 AromaticContact NE2-NE2 2.93Å; H628-H632 PolarHBondContact NE2-NE2 3.34Å; H628-H632 PolarHBondContact O-CD2 3.5Å; E629-H632 PolarHBondContact O-N 3.17Å
633	T	69.7	Low	88	Confident	151 Å²	151	74.8 Å²	74.8	93%	0.926	42%	0.422	S	S	*	.			trans	-103.5	0	168.4	53.4	0	0	0	0	107.7	E629 S630	E629-T633 PolarHBondContact O-N 2.69Å; S630-T633 VanDerWaalsContact CA-OG1 3.27Å; S630-T633 WeakPolarHBondContact CA-OG1 3.27Å; S630-T633 PolarHBondContact O-OG1 3.12Å

Retrieved 633 of 633 residues in 252.1 ms (Link to these results)

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