A0A087WVA2_HUMAN Loading...

Zinc finger protein 658

AlphaFold DB , UniProt , Accession A0A087WVA2, Species HUMAN (Homo sapiens, Human), Gene ZNF658, Length 597 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	52	Low	235 Å²	235	120.7 Å²	120.7	100%	1.158	67%	0.673	S	S	*	*				0	116.2	0	-81.6	171.6	164.6	0	0	107.6	M3	M1-M3 PolarHBondContact O-N 3.04Å
2	N	35.6	Very low	53.6	Low	167 Å²	167	119.8 Å²	119.8	89%	0.893	67%	0.666	S	S	*	*			trans	-63.7	115	174.6	-102.4	-13.2	0	0	0	108.8	S4	N2-S4 PolarHBondContact O-N 3.15Å
3	M	32	Very low	54.9	Low	170 Å²	170	114.2 Å²	114.2	84%	0.837	64%	0.636	S	S	*	*			trans	-85	99.1	162	-68	-90.5	81.1	0	0	106.4	M1 Q5	M1-M3 PolarHBondContact O-N 3.04Å; M3-Q5 PolarHBondContact O-N 3.36Å
4	S	40.5	Very low	56.3	Low	114 Å²	114	108.1 Å²	108.1	80%	0.797	60%	0.604	S	S	*	*			trans	-62.1	103.2	166.2	51.2	0	0	0	0	108	N2 A6	N2-S4 PolarHBondContact O-N 3.15Å; S4-A6 PolarHBondContact O-N 3.17Å; S4-A6 VanDerWaalsContact O-N 3.12Å
5	Q	46.9	Very low	57.4	Low	180 Å²	180	105.5 Å²	105.5	84%	0.841	59%	0.591	S	S	*	*			trans	-62.5	112.4	167.3	-84	177.8	-25.9	0	0	107.9	M3 S7	M3-Q5 PolarHBondContact O-N 3.36Å; Q5-S7 PolarHBondContact O-N 3.44Å
6	A	52.5	Low	58.3	Low	85 Å²	85	108.9 Å²	108.9	70%	0.702	60%	0.601	S	S	*	*			trans	-60	124.7	168.2	0	0	0	0	0	108.1	S4 V8	S4-A6 PolarHBondContact O-N 3.17Å; S4-A6 VanDerWaalsContact O-N 3.12Å; A6-V8 PolarHBondContact O-N 3.25Å
7	S	57.9	Low	59	Low	101 Å²	101	106.2 Å²	106.2	71%	0.706	58%	0.582	S	S	*	*			trans	-71.6	109.9	176.1	54.6	0	0	0	0	108.9	Q5	Q5-S7 PolarHBondContact O-N 3.44Å
8	V	61	Low	59.5	Low	60 Å²	60	104.1 Å²	104.1	36%	0.364	57%	0.573	S	S	.	*			trans	-79.3	122.9	173.9	-178.5	0	0	0	0	108.3	A6 D12 V13 L44	A6-V8 PolarHBondContact O-N 3.25Å; V8-D12 HydrophobicContact CG1-CB 4.06Å; V8-V13 HydrophobicContact CG1-CG1 4Å; V8-L44 HydrophobicContact CG1-CD2 4.17Å
9	S	70.9	Confident	59.5	Low	43 Å²	43	104.6 Å²	104.6	30%	0.301	57%	0.565	S	S	.	*			trans	-92.6	164.5	178	77.2	0	0	0	0	111.4	Q11 D12	S9-Q11 PolarHBondContact O-N 2.94Å; S9-Q11 PolarHBondContact OG-N 2.76Å; S9-D12 WeakPolarHBondContact CA-OD2 3.5Å; S9-D12 WeakPolarHBondContact CB-OD2 3.36Å; S9-D12 PolarHBondContact N-OD2 2.9Å; S9-D12 PolarHBondContact O-N 3.09Å; S9-D12 VanDerWaalsContact O-N 3.16Å; S9-D12 VanDerWaalsContact OG-CG 3.27Å; S9-D12 PolarHBondContact OG-N 3.46Å; S9-D12 PolarHBondContact OG-OD2 3.31Å
10	F	71.3	Confident	59.8	Low	17 Å²	17	105.5 Å²	105.5	8%	0.075	57%	0.565	C	S	.	*	G	3₁₀ helix	trans	-60.9	-31.9	174.7	-175.4	-98.8	0	0	0	112.4	D12 V13 T14 M37 Y41 L44 I51 P54 V56 I57	F10-D12 VanDerWaalsContact C-N 3.27Å; F10-D12 PolarHBondContact O-N 3.18Å; F10-V13 HydrophobicContact CD2-CG2 4.48Å; F10-V13 WeakPolarHBondContact O-CG2 3.38Å; F10-V13 PolarHBondContact O-N 2.82Å; F10-T14 VanDerWaalsContact CD1-OG1 3.27Å; F10-T14 WeakPolarHBondContact CD1-OG1 3.21Å; F10-T14 WeakPolarHBondContact CE1-OG1 3.49Å; F10-T14 PolarHBondContact O-N 2.85Å; F10-T14 VanDerWaalsContact O-N 3.14Å; F10-T14 PolarHBondContact O-OG1 2.97Å; F10-M37 HydrophobicContact CE1-CE 4.08Å; F10-M37 HydrophobicContact CZ-CE 3.79Å; F10-Y41 HydrophobicContact CD2-CD2 4Å; F10-Y41 HydrophobicContact CE2-CD2 4.15Å; F10-Y41 HydrophobicContact CE2-CG 4.36Å; F10-L44 HydrophobicContact CB-CD1 4.02Å; F10-L44 HydrophobicContact CD2-CD1 3.76Å; F10-L44 HydrophobicContact CG-CD1 4.37Å; F10-I51 HydrophobicContact CB-CD1 4.45Å; F10-I51 HydrophobicContact CB-CG2 4.18Å; F10-P54 HydrophobicContact CB-CG 4.34Å; F10-P54 HydrophobicContact CD1-CB 4.04Å; F10-P54 HydrophobicContact CD1-CG 3.43Å; F10-P54 VanDerWaalsContact CD1-CG 3.43Å; F10-P54 HydrophobicContact CD2-CG 4.27Å; F10-P54 HydrophobicContact CE1-CB 4.06Å; F10-P54 HydrophobicContact CE1-CG 3.76Å; F10-P54 HydrophobicContact CG-CG 3.73Å; F10-P54 HydrophobicContact CZ-CG 4.36Å; F10-V56 HydrophobicContact CE1-CG1 4.1Å; F10-I57 HydrophobicContact CE1-CD1 4.4Å; F10-I57 HydrophobicContact CE1-CG1 4.17Å; F10-I57 HydrophobicContact CE2-CD1 4.03Å; F10-I57 HydrophobicContact CE2-CG1 4.12Å; F10-I57 HydrophobicContact CZ-CD1 3.53Å; F10-I57 HydrophobicContact CZ-CG1 3.66Å
11	Q	69.5	Low	60.3	Low	156 Å²	156	105.1 Å²	105.1	73%	0.729	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-64.3	-32.2	177.6	-70.4	170.9	-19.9	0	0	112.1	S9 V13 T14	S9-Q11 PolarHBondContact O-N 2.94Å; S9-Q11 PolarHBondContact OG-N 2.76Å; Q11-V13 PolarHBondContact O-N 3.07Å; Q11-T14 PolarHBondContact O-N 3.09Å
12	D	72	Confident	62.3	Low	110 Å²	110	94.5 Å²	94.5	59%	0.588	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-70.9	-17.2	-179.5	-57.6	-48.8	0	0	0	113.4	V8 S9 F10	V8-D12 HydrophobicContact CG1-CB 4.06Å; S9-D12 WeakPolarHBondContact CA-OD2 3.5Å; S9-D12 WeakPolarHBondContact CB-OD2 3.36Å; S9-D12 PolarHBondContact N-OD2 2.9Å; S9-D12 PolarHBondContact O-N 3.09Å; S9-D12 VanDerWaalsContact O-N 3.16Å; S9-D12 VanDerWaalsContact OG-CG 3.27Å; S9-D12 PolarHBondContact OG-N 3.46Å; S9-D12 PolarHBondContact OG-OD2 3.31Å; F10-D12 VanDerWaalsContact C-N 3.27Å; F10-D12 PolarHBondContact O-N 3.18Å
13	V	70.3	Confident	64.1	Low	46 Å²	46	92.3 Å²	92.3	28%	0.279	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-120	10.5	-179.7	-57.1	0	0	0	0	112.4	V8 F10 Q11 N40 L44	V8-V13 HydrophobicContact CG1-CG1 4Å; F10-V13 HydrophobicContact CD2-CG2 4.48Å; F10-V13 WeakPolarHBondContact O-CG2 3.38Å; F10-V13 PolarHBondContact O-N 2.82Å; Q11-V13 PolarHBondContact O-N 3.07Å; V13-N40 HydrophobicContact CG2-CB 4.17Å; V13-N40 PolarHBondContact O-ND2 3.43Å; V13-L44 HydrophobicContact CG2-CD1 3.36Å; V13-L44 HydrophobicContact CG2-CG 4.18Å
14	T	73.8	Confident	66.1	Low	30 Å²	30	91.9 Å²	91.9	18%	0.184	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-86	128.5	176.9	-66.6	0	0	0	0	108.9	F10 Q11 E16 M37	F10-T14 VanDerWaalsContact CD1-OG1 3.27Å; F10-T14 WeakPolarHBondContact CD1-OG1 3.21Å; F10-T14 WeakPolarHBondContact CE1-OG1 3.49Å; F10-T14 PolarHBondContact O-N 2.85Å; F10-T14 VanDerWaalsContact O-N 3.14Å; F10-T14 PolarHBondContact O-OG1 2.97Å; Q11-T14 PolarHBondContact O-N 3.09Å; T14-E16 HydrophobicContact CG2-CG 3.67Å; T14-M37 HydrophobicContact CG2-CE 3.29Å; T14-M37 HydrophobicContact CG2-SD 4.4Å
15	V	73.8	Confident	67.7	Low	69 Å²	69	87.7 Å²	87.7	42%	0.418	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-87	120.4	164.1	-179.7	0	0	0	0	106.4	F17 Y33 M37	V15-F17 HydrophobicContact CG1-CD2 4.39Å; V15-F17 HydrophobicContact CG1-CE2 3.93Å; V15-F17 HydrophobicContact CG1-CZ 4.3Å; V15-Y33 HydrophobicContact CB-CE2 4.32Å; V15-Y33 WeakPolarHBondContact O-CE2 3.32Å; V15-Y33 PolarHBondContact O-OH 3.13Å; V15-M37 HydrophobicContact CB-SD 4.41Å
16	E	71.1	Confident	69.1	Low	160 Å²	160	80.3 Å²	80.3	75%	0.748	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-103.6	128.7	176.9	-65.5	-169.5	165.3	0	0	109.6	T14	T14-E16 HydrophobicContact CG2-CG 3.67Å
17	F	70.5	Confident	70.1	Confident	63 Å²	63	81.5 Å²	81.5	28%	0.276	43%	0.429	S	S	.	.			trans	-105.8	137.8	168.5	-76.3	-74	0	0	0	109.2	V15 E21 W22 L25 Y33 W67	V15-F17 HydrophobicContact CG1-CD2 4.39Å; V15-F17 HydrophobicContact CG1-CE2 3.93Å; V15-F17 HydrophobicContact CG1-CZ 4.3Å; F17-E21 HydrophobicContact CD1-CB 3.89Å; F17-W22 HydrophobicContact CB-CB 4.39Å; F17-W22 HydrophobicContact CB-CE3 4.08Å; F17-W22 AromaticContact CD2-CE3 3.97Å; F17-W22 HydrophobicContact CD2-CE3 3.97Å; F17-W22 HydrophobicContact CD2-CZ3 4.11Å; F17-W22 HydrophobicContact CG-CE3 4.23Å; F17-L25 HydrophobicContact CD1-CD1 4.27Å; F17-L25 HydrophobicContact CD2-CD1 4.01Å; F17-L25 HydrophobicContact CE1-CD1 4.16Å; F17-L25 HydrophobicContact CE1-CD2 4.39Å; F17-L25 HydrophobicContact CE2-CD1 3.9Å; F17-L25 HydrophobicContact CG-CD1 4.19Å; F17-L25 HydrophobicContact CZ-CD1 3.98Å; F17-L25 HydrophobicContact CZ-CD2 4.49Å; F17-Y33 AromaticContact CD2-CD2 3.62Å; F17-Y33 HydrophobicContact CD2-CD2 3.62Å; F17-Y33 AromaticContact CD2-CE2 3.57Å; F17-Y33 HydrophobicContact CD2-CE2 3.57Å; F17-Y33 HydrophobicContact CD2-CG 4.47Å; F17-Y33 AromaticContact CE2-CD2 3.53Å; F17-Y33 HydrophobicContact CE2-CD2 3.53Å; F17-Y33 AromaticContact CE2-CE2 3.91Å; F17-Y33 HydrophobicContact CE2-CE2 3.91Å; F17-Y33 HydrophobicContact CE2-CG 4.41Å; F17-W67 WeakPolarHBondContact O-CH2 3.47Å; F17-W67 WeakPolarHBondContact O-CZ3 3.38Å
18	T	68.6	Low	70.8	Confident	68 Å²	68	82.6 Å²	82.6	42%	0.417	43%	0.431	S	S	.	.			trans	-66.1	159	162.9	61.8	0	0	0	0	109.9	E20 E21 W22	T18-E20 PolarHBondContact O-N 3.13Å; T18-E21 WeakPolarHBondContact CB-OE2 3.36Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.39Å; T18-E21 PolarHBondContact N-OE2 3.35Å; T18-E21 PolarHBondContact O-N 3.36Å; T18-E21 WeakPolarHBondContact OG1-CB 3.41Å; T18-E21 WeakPolarHBondContact OG1-CG 3.31Å; T18-E21 PolarHBondContact OG1-N 3.35Å; T18-E21 PolarHBondContact OG1-OE2 3.08Å; T18-W22 WeakPolarHBondContact O-CB 3.29Å; T18-W22 PolarHBondContact O-N 2.91Å
19	R	59.2	Low	71.5	Confident	114 Å²	114	84.6 Å²	84.6	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-36.7	179.5	-170	-175.1	-169.8	176.4	10.6	110.8	W22 Q23 E72	R19-W22 PolarHBondContact O-N 3.2Å; R19-Q23 WeakPolarHBondContact O-CG 3.39Å; R19-Q23 PolarHBondContact O-N 3.37Å; R19-E72 IonicContact CZ-OE1 3.66Å; R19-E72 IonicContact NH1-OE1 3.44Å; R19-E72 PolarHBondContact NH1-OE1 2.99Å; R19-E72 IonicContact NH2-OE1 2.93Å
20	E	64.7	Low	71.9	Confident	121 Å²	121	86.3 Å²	86.3	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-62.9	-49.4	177	-63.2	69.7	-151.8	0	0	110	T18 W22 Q23 H24	T18-E20 PolarHBondContact O-N 3.13Å; E20-W22 VanDerWaalsContact C-N 3.34Å; E20-W22 PolarHBondContact O-N 2.97Å; E20-Q23 PolarHBondContact O-N 3.34Å; E20-H24 PolarHBondContact O-ND1 3.23Å
21	E	70.2	Confident	72.2	Confident	99 Å²	99	89.1 Å²	89.1	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-63.3	-40.2	176.8	-69.9	162.2	149.5	0	0	112	F17 T18 Q23 H24 L25	F17-E21 HydrophobicContact CD1-CB 3.89Å; T18-E21 WeakPolarHBondContact CB-OE2 3.36Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.39Å; T18-E21 PolarHBondContact N-OE2 3.35Å; T18-E21 PolarHBondContact O-N 3.36Å; T18-E21 WeakPolarHBondContact OG1-CB 3.41Å; T18-E21 WeakPolarHBondContact OG1-CG 3.31Å; T18-E21 PolarHBondContact OG1-N 3.35Å; T18-E21 PolarHBondContact OG1-OE2 3.08Å; E21-Q23 VanDerWaalsContact C-N 3.33Å; E21-Q23 PolarHBondContact O-N 3.49Å; E21-H24 PolarHBondContact O-N 3.38Å; E21-H24 VanDerWaalsContact O-N 3.11Å; E21-L25 PolarHBondContact O-N 3.44Å
22	W	76.9	Confident	72.7	Confident	12 Å²	12	86.9 Å²	86.9	5%	0.045	45%	0.447	C	S	.	.	H	α-helix	trans	-63.6	-36	178.4	-173.7	-96.8	0	0	0	113.5	F17 T18 R19 E20 H24 L25 R30 Y33 P66 W67	F17-W22 HydrophobicContact CB-CB 4.39Å; F17-W22 HydrophobicContact CB-CE3 4.08Å; F17-W22 AromaticContact CD2-CE3 3.97Å; F17-W22 HydrophobicContact CD2-CE3 3.97Å; F17-W22 HydrophobicContact CD2-CZ3 4.11Å; F17-W22 HydrophobicContact CG-CE3 4.23Å; T18-W22 WeakPolarHBondContact O-CB 3.29Å; T18-W22 PolarHBondContact O-N 2.91Å; R19-W22 PolarHBondContact O-N 3.2Å; E20-W22 VanDerWaalsContact C-N 3.34Å; E20-W22 PolarHBondContact O-N 2.97Å; W22-H24 PolarHBondContact O-N 3.28Å; W22-L25 HydrophobicContact CD2-CD1 4.26Å; W22-L25 HydrophobicContact CE3-CD1 3.61Å; W22-L25 HydrophobicContact CZ3-CD1 3.95Å; W22-L25 WeakPolarHBondContact O-CB 3.48Å; W22-L25 PolarHBondContact O-N 3.15Å; W22-L25 VanDerWaalsContact O-N 3.1Å; W22-R30 HydrophobicContact CH2-CB 4.1Å; W22-R30 HydrophobicContact CH2-CG 4.1Å; W22-R30 HydrophobicContact CZ2-CB 3.95Å; W22-R30 HydrophobicContact CZ2-CG 3.75Å; W22-R30 PolarHBondContact O-NE 3.45Å; W22-R30 PolarHBondContact O-NH2 3.13Å; W22-R30 VanDerWaalsContact O-NH2 3.11Å; W22-Y33 AromaticContact CH2-CD1 3.24Å; W22-Y33 HydrophobicContact CH2-CD1 3.24Å; W22-Y33 AromaticContact CH2-CE1 3.77Å; W22-Y33 HydrophobicContact CH2-CE1 3.77Å; W22-Y33 AromaticContact CH2-CG 3.76Å; W22-Y33 HydrophobicContact CH2-CG 3.76Å; W22-Y33 AromaticContact CZ3-CD1 3.25Å; W22-Y33 HydrophobicContact CZ3-CD1 3.25Å; W22-Y33 AromaticContact CZ3-CD2 3.97Å; W22-Y33 HydrophobicContact CZ3-CD2 3.97Å; W22-Y33 AromaticContact CZ3-CE1 3.59Å; W22-Y33 HydrophobicContact CZ3-CE1 3.59Å; W22-Y33 HydrophobicContact CZ3-CE2 4.25Å; W22-Y33 AromaticContact CZ3-CG 3.41Å; W22-Y33 HydrophobicContact CZ3-CG 3.41Å; W22-Y33 VanDerWaalsContact CZ3-CG 3.41Å; W22-P66 HydrophobicContact CH2-CG 4.16Å; W22-P66 HydrophobicContact CZ2-CG 4.09Å; W22-W67 HydrophobicContact CB-CH2 3.82Å; W22-W67 HydrophobicContact CB-CZ2 3.55Å; W22-W67 AromaticContact CD1-CZ2 3.6Å; W22-W67 HydrophobicContact CD2-CH2 4.1Å; W22-W67 AromaticContact CD2-CZ2 3.77Å; W22-W67 HydrophobicContact CD2-CZ2 3.77Å; W22-W67 HydrophobicContact CE3-CH2 4.31Å; W22-W67 HydrophobicContact CE3-CZ2 4.42Å; W22-W67 AromaticContact CG-CH2 3.92Å; W22-W67 HydrophobicContact CG-CH2 3.92Å; W22-W67 AromaticContact CG-CZ2 3.35Å; W22-W67 HydrophobicContact CG-CZ2 3.35Å
23	Q	72.8	Confident	73.3	Confident	121 Å²	121	82.5 Å²	82.5	57%	0.565	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-29.9	175.8	-77.7	178	0.8	0	0	112.2	R19 E20 E21 L25 R30	R19-Q23 WeakPolarHBondContact O-CG 3.39Å; R19-Q23 PolarHBondContact O-N 3.37Å; E20-Q23 PolarHBondContact O-N 3.34Å; E21-Q23 VanDerWaalsContact C-N 3.33Å; E21-Q23 PolarHBondContact O-N 3.49Å; Q23-L25 VanDerWaalsContact C-N 3.33Å; Q23-R30 PolarHBondContact O-NH2 2.86Å
24	H	73.3	Confident	73.7	Confident	160 Å²	160	84.5 Å²	84.5	74%	0.741	43%	0.425	S	S	*	.	H	α-helix	trans	-80.9	-13.7	176.3	-65.1	85	0	0	0	113.2	E20 E21 W22	E20-H24 PolarHBondContact O-ND1 3.23Å; E21-H24 PolarHBondContact O-N 3.38Å; E21-H24 VanDerWaalsContact O-N 3.11Å; W22-H24 PolarHBondContact O-N 3.28Å
25	L	75.3	Confident	74	Confident	27 Å²	27	87.4 Å²	87.4	14%	0.141	44%	0.439	C	S	.	.			trans	-73.3	129.9	176.2	-62.1	-177.7	0	0	0	111.4	F17 E21 W22 Q23 E29 R30	F17-L25 HydrophobicContact CD1-CD1 4.27Å; F17-L25 HydrophobicContact CD2-CD1 4.01Å; F17-L25 HydrophobicContact CE1-CD1 4.16Å; F17-L25 HydrophobicContact CE1-CD2 4.39Å; F17-L25 HydrophobicContact CE2-CD1 3.9Å; F17-L25 HydrophobicContact CG-CD1 4.19Å; F17-L25 HydrophobicContact CZ-CD1 3.98Å; F17-L25 HydrophobicContact CZ-CD2 4.49Å; E21-L25 PolarHBondContact O-N 3.44Å; W22-L25 HydrophobicContact CD2-CD1 4.26Å; W22-L25 HydrophobicContact CE3-CD1 3.61Å; W22-L25 HydrophobicContact CZ3-CD1 3.95Å; W22-L25 WeakPolarHBondContact O-CB 3.48Å; W22-L25 PolarHBondContact O-N 3.15Å; W22-L25 VanDerWaalsContact O-N 3.1Å; Q23-L25 VanDerWaalsContact C-N 3.33Å; L25-E29 WeakPolarHBondContact CA-OE2 3.21Å; L25-E29 HydrophobicContact CB-CB 4.09Å; L25-E29 HydrophobicContact CD2-CB 4.1Å; L25-R30 HydrophobicContact CB-CG 3.83Å; L25-R30 PolarHBondContact O-NE 3.15Å; L25-R30 PolarHBondContact O-NH2 3.23Å; L25-R30 VanDerWaalsContact O-NH2 3.17Å
26	G	75.4	Confident	74.4	Confident	25 Å²	25	86.4 Å²	86.4	26%	0.258	43%	0.433	S	S	.	.			trans	-71.7	167.1	172.2	0	0	0	0	0	112.9	V28 E29 R30	G26-V28 PolarHBondContact O-N 3.36Å; G26-V28 VanDerWaalsContact O-N 3.16Å; G26-E29 PolarHBondContact N-OE2 3.42Å; G26-E29 PolarHBondContact O-N 3.46Å; G26-E29 VanDerWaalsContact O-N 3.08Å; G26-R30 WeakPolarHBondContact O-CG 3.47Å; G26-R30 PolarHBondContact O-N 3.08Å
27	P	74.2	Confident	75	Confident	110 Å²	110	78.8 Å²	78.8	71%	0.714	40%	0.398	S	S	*	.	H	α-helix	trans	-56.6	-34.4	-178.2	-26.3	34.5	0	0	0	114.4	T31	P27-T31 WeakPolarHBondContact O-CB 3.49Å; P27-T31 PolarHBondContact O-N 3.33Å; P27-T31 VanDerWaalsContact O-N 3.12Å; P27-T31 PolarHBondContact O-OG1 3.31Å
28	V	72.8	Confident	75.5	Confident	123 Å²	123	77.9 Å²	77.9	75%	0.745	40%	0.396	S	S	*	.	H	α-helix	trans	-69.6	-41.4	178.3	179.5	0	0	0	0	111.1	G26 T31 L32	G26-V28 PolarHBondContact O-N 3.36Å; G26-V28 VanDerWaalsContact O-N 3.16Å; V28-T31 WeakPolarHBondContact O-CB 3.34Å; V28-T31 PolarHBondContact O-N 3.47Å; V28-L32 PolarHBondContact O-N 3.31Å
29	E	74.1	Confident	76.2	Confident	102 Å²	102	79.9 Å²	79.9	48%	0.477	40%	0.4	S	S	.	.	H	α-helix	trans	-70.7	-37.9	-179.5	-64.9	167.2	148.7	0	0	111.4	L25 G26 T31 L32 Y33	L25-E29 WeakPolarHBondContact CA-OE2 3.21Å; L25-E29 HydrophobicContact CB-CB 4.09Å; L25-E29 HydrophobicContact CD2-CB 4.1Å; G26-E29 PolarHBondContact N-OE2 3.42Å; G26-E29 PolarHBondContact O-N 3.46Å; G26-E29 VanDerWaalsContact O-N 3.08Å; E29-T31 VanDerWaalsContact C-N 3.31Å; E29-T31 PolarHBondContact O-N 2.81Å; E29-L32 PolarHBondContact O-N 3.02Å; E29-Y33 PolarHBondContact O-N 3.17Å
30	R	80.8	Confident	77.2	Confident	79 Å²	79	76.4 Å²	76.4	30%	0.298	39%	0.39	S	S	.	.	H	α-helix	trans	-65.2	-35.8	172.7	-64.5	-177.5	-168.8	-177.9	3.9	112.3	W22 Q23 L25 G26 R34	W22-R30 HydrophobicContact CH2-CB 4.1Å; W22-R30 HydrophobicContact CH2-CG 4.1Å; W22-R30 HydrophobicContact CZ2-CB 3.95Å; W22-R30 HydrophobicContact CZ2-CG 3.75Å; W22-R30 PolarHBondContact O-NE 3.45Å; W22-R30 PolarHBondContact O-NH2 3.13Å; W22-R30 VanDerWaalsContact O-NH2 3.11Å; Q23-R30 PolarHBondContact O-NH2 2.86Å; L25-R30 HydrophobicContact CB-CG 3.83Å; L25-R30 PolarHBondContact O-NE 3.15Å; L25-R30 PolarHBondContact O-NH2 3.23Å; L25-R30 VanDerWaalsContact O-NH2 3.17Å; G26-R30 WeakPolarHBondContact O-CG 3.47Å; G26-R30 PolarHBondContact O-N 3.08Å; R30-R34 PolarHBondContact O-N 3.4Å; R30-R34 VanDerWaalsContact O-N 3.12Å
31	T	76.6	Confident	78	Confident	76 Å²	76	71.9 Å²	71.9	47%	0.466	37%	0.368	S	S	.	.	H	α-helix	trans	-66.9	-44.8	173.8	-56.3	0	0	0	0	110.5	P27 V28 E29 Y33 R34 D35	P27-T31 WeakPolarHBondContact O-CB 3.49Å; P27-T31 PolarHBondContact O-N 3.33Å; P27-T31 VanDerWaalsContact O-N 3.12Å; P27-T31 PolarHBondContact O-OG1 3.31Å; V28-T31 WeakPolarHBondContact O-CB 3.34Å; V28-T31 PolarHBondContact O-N 3.47Å; E29-T31 VanDerWaalsContact C-N 3.31Å; E29-T31 PolarHBondContact O-N 2.81Å; T31-Y33 PolarHBondContact O-N 3.19Å; T31-R34 WeakPolarHBondContact O-CB 3.37Å; T31-R34 PolarHBondContact O-N 3.14Å; T31-D35 PolarHBondContact O-N 2.89Å
32	L	80.9	Confident	78.4	Confident	109 Å²	109	69.4 Å²	69.4	57%	0.571	36%	0.362	S	S	*	.	H	α-helix	trans	-60	-44.3	175.9	-179.8	63.2	0	0	0	111.9	V28 E29 R34 D35 V36	V28-L32 PolarHBondContact O-N 3.31Å; E29-L32 PolarHBondContact O-N 3.02Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.31Å; L32-D35 PolarHBondContact O-N 3.49Å; L32-V36 HydrophobicContact CD1-CG2 4.11Å; L32-V36 HydrophobicContact CG-CG2 4.36Å; L32-V36 WeakPolarHBondContact O-CB 3.48Å; L32-V36 VanDerWaalsContact O-CG2 3.27Å; L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 3.03Å
33	Y	83.8	Confident	78.5	Confident	19 Å²	19	73.4 Å²	73.4	8%	0.075	38%	0.381	C	S	.	.	H	α-helix	trans	-57.7	-46.5	175.5	174.7	-96.3	0	0	0	112.2	V15 F17 W22 E29 T31 D35 V36 M37 L60 P66	V15-Y33 HydrophobicContact CB-CE2 4.32Å; V15-Y33 WeakPolarHBondContact O-CE2 3.32Å; V15-Y33 PolarHBondContact O-OH 3.13Å; F17-Y33 AromaticContact CD2-CD2 3.62Å; F17-Y33 HydrophobicContact CD2-CD2 3.62Å; F17-Y33 AromaticContact CD2-CE2 3.57Å; F17-Y33 HydrophobicContact CD2-CE2 3.57Å; F17-Y33 HydrophobicContact CD2-CG 4.47Å; F17-Y33 AromaticContact CE2-CD2 3.53Å; F17-Y33 HydrophobicContact CE2-CD2 3.53Å; F17-Y33 AromaticContact CE2-CE2 3.91Å; F17-Y33 HydrophobicContact CE2-CE2 3.91Å; F17-Y33 HydrophobicContact CE2-CG 4.41Å; W22-Y33 AromaticContact CH2-CD1 3.24Å; W22-Y33 HydrophobicContact CH2-CD1 3.24Å; W22-Y33 AromaticContact CH2-CE1 3.77Å; W22-Y33 HydrophobicContact CH2-CE1 3.77Å; W22-Y33 AromaticContact CH2-CG 3.76Å; W22-Y33 HydrophobicContact CH2-CG 3.76Å; W22-Y33 AromaticContact CZ3-CD1 3.25Å; W22-Y33 HydrophobicContact CZ3-CD1 3.25Å; W22-Y33 AromaticContact CZ3-CD2 3.97Å; W22-Y33 HydrophobicContact CZ3-CD2 3.97Å; W22-Y33 AromaticContact CZ3-CE1 3.59Å; W22-Y33 HydrophobicContact CZ3-CE1 3.59Å; W22-Y33 HydrophobicContact CZ3-CE2 4.25Å; W22-Y33 AromaticContact CZ3-CG 3.41Å; W22-Y33 HydrophobicContact CZ3-CG 3.41Å; W22-Y33 VanDerWaalsContact CZ3-CG 3.41Å; E29-Y33 PolarHBondContact O-N 3.17Å; T31-Y33 PolarHBondContact O-N 3.19Å; Y33-D35 VanDerWaalsContact C-N 3.34Å; Y33-D35 PolarHBondContact O-N 2.9Å; Y33-V36 PolarHBondContact O-N 3.24Å; Y33-M37 HydrophobicContact CD1-CG 4.15Å; Y33-M37 HydrophobicContact CD2-CG 4.02Å; Y33-M37 HydrophobicContact CE1-CG 3.9Å; Y33-M37 HydrophobicContact CE2-CG 3.77Å; Y33-M37 HydrophobicContact CE2-SD 4.24Å; Y33-M37 HydrophobicContact CG-CG 4.26Å; Y33-M37 WeakPolarHBondContact O-CB 3.48Å; Y33-M37 WeakPolarHBondContact O-CG 3.39Å; Y33-M37 PolarHBondContact O-N 3.4Å; Y33-L60 HydrophobicContact CD1-CD2 4.39Å; Y33-L60 HydrophobicContact CE1-CD1 4.1Å; Y33-L60 HydrophobicContact CE1-CD2 4.3Å; Y33-P66 HydrophobicContact CE1-CG 3.96Å
34	R	79.3	Confident	78.5	Confident	87 Å²	87	68.3 Å²	68.3	33%	0.328	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-48.6	177.3	-179.4	-175.2	-173.4	178.6	2.9	111	R30 T31 L32 M37 L38 L60 E61 G63	R30-R34 PolarHBondContact O-N 3.4Å; R30-R34 VanDerWaalsContact O-N 3.12Å; T31-R34 WeakPolarHBondContact O-CB 3.37Å; T31-R34 PolarHBondContact O-N 3.14Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.31Å; R34-M37 PolarHBondContact O-N 3.47Å; R34-L38 HydrophobicContact CG-CD1 3.98Å; R34-L38 WeakPolarHBondContact O-CB 3.38Å; R34-L38 VanDerWaalsContact O-CG 3.23Å; R34-L38 WeakPolarHBondContact O-CG 3.38Å; R34-L38 PolarHBondContact O-N 3.02Å; R34-L38 VanDerWaalsContact O-N 3.08Å; R34-L60 HydrophobicContact CB-CD2 4.26Å; R34-L60 HydrophobicContact CG-CB 4.27Å; R34-L60 HydrophobicContact CG-CD2 4.2Å; R34-L60 PolarHBondContact NE-O 3.05Å; R34-L60 PolarHBondContact NH2-O 3.22Å; R34-E61 PolarHBondContact NH2-O 2.99Å; R34-G63 VanDerWaalsContact NH2-N 3.19Å
35	D	79.6	Confident	78.5	Confident	91 Å²	91	64.5 Å²	64.5	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-46.8	-178.4	-68.7	-14.7	0	0	0	111.2	T31 L32 Y33 M37 L38 E39	T31-D35 PolarHBondContact O-N 2.89Å; L32-D35 PolarHBondContact O-N 3.49Å; Y33-D35 VanDerWaalsContact C-N 3.34Å; Y33-D35 PolarHBondContact O-N 2.9Å; D35-M37 PolarHBondContact O-N 3.42Å; D35-L38 PolarHBondContact O-N 3.45Å; D35-E39 VanDerWaalsContact O-CB 3.28Å; D35-E39 WeakPolarHBondContact O-CB 3.4Å; D35-E39 PolarHBondContact O-N 3.39Å
36	V	82.6	Confident	78.3	Confident	48 Å²	48	67.5 Å²	67.5	29%	0.291	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-45.2	178.9	170.3	0	0	0	0	111.7	L32 Y33 E39 N40	L32-V36 HydrophobicContact CD1-CG2 4.11Å; L32-V36 HydrophobicContact CG-CG2 4.36Å; L32-V36 WeakPolarHBondContact O-CB 3.48Å; L32-V36 VanDerWaalsContact O-CG2 3.27Å; L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 3.03Å; Y33-V36 PolarHBondContact O-N 3.24Å; V36-E39 PolarHBondContact O-N 3.37Å; V36-N40 WeakPolarHBondContact O-CB 3.42Å; V36-N40 VanDerWaalsContact O-CG 3.25Å; V36-N40 PolarHBondContact O-N 3.1Å; V36-N40 PolarHBondContact O-OD1 3.15Å
37	M	82.5	Confident	78.1	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-67.9	-37.7	-178.2	-70	-59.5	-74.3	0	0	112.4	F10 T14 V15 Y33 R34 D35 Y41 I57 L60	F10-M37 HydrophobicContact CE1-CE 4.08Å; F10-M37 HydrophobicContact CZ-CE 3.79Å; T14-M37 HydrophobicContact CG2-CE 3.29Å; T14-M37 HydrophobicContact CG2-SD 4.4Å; V15-M37 HydrophobicContact CB-SD 4.41Å; Y33-M37 HydrophobicContact CD1-CG 4.15Å; Y33-M37 HydrophobicContact CD2-CG 4.02Å; Y33-M37 HydrophobicContact CE1-CG 3.9Å; Y33-M37 HydrophobicContact CE2-CG 3.77Å; Y33-M37 HydrophobicContact CE2-SD 4.24Å; Y33-M37 HydrophobicContact CG-CG 4.26Å; Y33-M37 WeakPolarHBondContact O-CB 3.48Å; Y33-M37 WeakPolarHBondContact O-CG 3.39Å; Y33-M37 PolarHBondContact O-N 3.4Å; R34-M37 PolarHBondContact O-N 3.47Å; D35-M37 PolarHBondContact O-N 3.42Å; M37-Y41 PolarHBondContact O-N 3.21Å; M37-Y41 VanDerWaalsContact O-N 3.16Å; M37-I57 HydrophobicContact CB-CD1 4.29Å; M37-I57 VanDerWaalsContact O-CD1 3.28Å; M37-I57 WeakPolarHBondContact O-CD1 3.49Å; M37-L60 HydrophobicContact CB-CD1 3.68Å; M37-L60 HydrophobicContact CG-CD1 4.29Å
38	L	81.3	Confident	77.3	Confident	44 Å²	44	69 Å²	69	23%	0.23	38%	0.38	C	S	.	.	H	α-helix	trans	-69.1	-38.8	174.4	-67.2	175.9	0	0	0	111.9	R34 D35 Y41 S42 I57 L60 E61	R34-L38 HydrophobicContact CG-CD1 3.98Å; R34-L38 WeakPolarHBondContact O-CB 3.38Å; R34-L38 VanDerWaalsContact O-CG 3.23Å; R34-L38 WeakPolarHBondContact O-CG 3.38Å; R34-L38 PolarHBondContact O-N 3.02Å; R34-L38 VanDerWaalsContact O-N 3.08Å; D35-L38 PolarHBondContact O-N 3.45Å; L38-Y41 PolarHBondContact O-N 3.44Å; L38-S42 WeakPolarHBondContact O-CB 3.38Å; L38-S42 PolarHBondContact O-N 3.2Å; L38-I57 HydrophobicContact CD2-CD1 4.27Å; L38-I57 HydrophobicContact CD2-CG2 3.98Å; L38-L60 HydrophobicContact CD2-CB 4.26Å; L38-E61 HydrophobicContact CD2-CG 3.64Å
39	E	83.6	Confident	76.9	Confident	109 Å²	109	66.3 Å²	66.3	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-65.7	-44.1	176.3	-175.5	171	-176.8	0	0	111.5	D35 V36 Y41 S42 H43	D35-E39 VanDerWaalsContact O-CB 3.28Å; D35-E39 WeakPolarHBondContact O-CB 3.4Å; D35-E39 PolarHBondContact O-N 3.39Å; V36-E39 PolarHBondContact O-N 3.37Å; E39-Y41 PolarHBondContact O-N 3.11Å; E39-S42 WeakPolarHBondContact O-CB 3.5Å; E39-S42 PolarHBondContact O-N 3.08Å; E39-H43 WeakPolarHBondContact CG-CE1 3.32Å; E39-H43 VanDerWaalsContact O-CG 3.3Å; E39-H43 PolarHBondContact O-N 3.44Å; E39-H43 PolarHBondContact O-ND1 3.26Å; E39-H43 IonicContact OE1-CE1 3.58Å; E39-H43 PolarHBondContact OE1-CE1 3.35Å; E39-H43 VanDerWaalsContact OE1-CE1 3.31Å; E39-H43 IonicContact OE1-NE2 2.76Å
40	N	80.8	Confident	76	Confident	41 Å²	41	68.1 Å²	68.1	22%	0.219	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-42.9	175.7	-73.6	-5.1	0	0	0	112.1	V13 V36 H43 L44	V13-N40 HydrophobicContact CG2-CB 4.17Å; V13-N40 PolarHBondContact O-ND2 3.43Å; V36-N40 WeakPolarHBondContact O-CB 3.42Å; V36-N40 VanDerWaalsContact O-CG 3.25Å; V36-N40 PolarHBondContact O-N 3.1Å; V36-N40 PolarHBondContact O-OD1 3.15Å; N40-H43 PolarHBondContact O-N 3.21Å; N40-L44 WeakPolarHBondContact O-CG 3.01Å; N40-L44 PolarHBondContact O-N 3.25Å; N40-L44 VanDerWaalsContact O-N 3.09Å
41	Y	80.4	Confident	75.2	Confident	26 Å²	26	66.3 Å²	66.3	10%	0.102	38%	0.375	C	S	.	.	H	α-helix	trans	-62.5	-44.9	174.5	179.5	-112.3	0	0	0	112	F10 M37 L38 E39 H43 L44 I45 K53 P54 I57	F10-Y41 HydrophobicContact CD2-CD2 4Å; F10-Y41 HydrophobicContact CE2-CD2 4.15Å; F10-Y41 HydrophobicContact CE2-CG 4.36Å; M37-Y41 PolarHBondContact O-N 3.21Å; M37-Y41 VanDerWaalsContact O-N 3.16Å; L38-Y41 PolarHBondContact O-N 3.44Å; E39-Y41 PolarHBondContact O-N 3.11Å; Y41-H43 VanDerWaalsContact C-N 3.34Å; Y41-H43 PolarHBondContact O-N 2.87Å; Y41-L44 PolarHBondContact O-N 3.18Å; Y41-I45 HydrophobicContact CD1-CD1 3.77Å; Y41-I45 HydrophobicContact CD2-CD1 4.39Å; Y41-I45 HydrophobicContact CE1-CD1 3.23Å; Y41-I45 HydrophobicContact CE1-CG1 4.4Å; Y41-I45 HydrophobicContact CE2-CD1 3.91Å; Y41-I45 HydrophobicContact CE2-CG1 4.3Å; Y41-I45 HydrophobicContact CG-CD1 4.32Å; Y41-I45 PolarHBondContact O-N 2.85Å; Y41-I45 VanDerWaalsContact O-N 3.14Å; Y41-K53 HydrophobicContact CE1-CG 4.16Å; Y41-K53 VanDerWaalsContact OH-CA 3.29Å; Y41-K53 WeakPolarHBondContact OH-CA 3.46Å; Y41-K53 VanDerWaalsContact OH-CB 3.26Å; Y41-K53 WeakPolarHBondContact OH-CB 3.25Å; Y41-K53 WeakPolarHBondContact OH-CG 3.35Å; Y41-P54 HydrophobicContact CD2-CG 4.31Å; Y41-P54 HydrophobicContact CE2-CG 4.36Å; Y41-I57 HydrophobicContact CD1-CG2 3.64Å; Y41-I57 HydrophobicContact CD2-CG1 4.21Å; Y41-I57 HydrophobicContact CE1-CG2 3.97Å; Y41-I57 HydrophobicContact CG-CD1 4.37Å; Y41-I57 HydrophobicContact CG-CG1 3.99Å; Y41-I57 HydrophobicContact CG-CG2 3.97Å
42	S	79.1	Confident	74.8	Confident	48 Å²	48	68.9 Å²	68.9	34%	0.336	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-40.9	177.8	-175.9	0	0	0	0	112.2	L38 E39 I45 S46	L38-S42 WeakPolarHBondContact O-CB 3.38Å; L38-S42 PolarHBondContact O-N 3.2Å; E39-S42 WeakPolarHBondContact O-CB 3.5Å; E39-S42 PolarHBondContact O-N 3.08Å; S42-I45 PolarHBondContact O-N 3.42Å; S42-S46 WeakPolarHBondContact O-CB 3.28Å; S42-S46 PolarHBondContact O-N 2.9Å; S42-S46 PolarHBondContact O-OG 3Å
43	H	78.9	Confident	74.6	Confident	96 Å²	96	68 Å²	68	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-43.2	176.9	-71.5	156.3	0	0	0	112.2	E39 N40 Y41 I45 S46 V47	E39-H43 WeakPolarHBondContact CG-CE1 3.32Å; E39-H43 VanDerWaalsContact O-CG 3.3Å; E39-H43 PolarHBondContact O-N 3.44Å; E39-H43 PolarHBondContact O-ND1 3.26Å; E39-H43 IonicContact OE1-CE1 3.58Å; E39-H43 PolarHBondContact OE1-CE1 3.35Å; E39-H43 VanDerWaalsContact OE1-CE1 3.31Å; E39-H43 IonicContact OE1-NE2 2.76Å; N40-H43 PolarHBondContact O-N 3.21Å; Y41-H43 VanDerWaalsContact C-N 3.34Å; Y41-H43 PolarHBondContact O-N 2.87Å; H43-I45 PolarHBondContact O-N 3.13Å; H43-S46 PolarHBondContact O-N 2.78Å; H43-S46 VanDerWaalsContact O-N 3.12Å; H43-V47 VanDerWaalsContact O-CG2 3.29Å; H43-V47 WeakPolarHBondContact O-CG2 3.34Å; H43-V47 PolarHBondContact O-N 2.89Å
44	L	72.5	Confident	74.3	Confident	13 Å²	13	68.3 Å²	68.3	7%	0.068	39%	0.386	C	S	.	.	H	α-helix	trans	-63.5	-40	178.2	-74.9	170.9	0	0	0	112.7	V8 F10 V13 N40 Y41 S46 Y49 I51	V8-L44 HydrophobicContact CG1-CD2 4.17Å; F10-L44 HydrophobicContact CB-CD1 4.02Å; F10-L44 HydrophobicContact CD2-CD1 3.76Å; F10-L44 HydrophobicContact CG-CD1 4.37Å; V13-L44 HydrophobicContact CG2-CD1 3.36Å; V13-L44 HydrophobicContact CG2-CG 4.18Å; N40-L44 WeakPolarHBondContact O-CG 3.01Å; N40-L44 PolarHBondContact O-N 3.25Å; N40-L44 VanDerWaalsContact O-N 3.09Å; Y41-L44 PolarHBondContact O-N 3.18Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-Y49 HydrophobicContact CD2-CD2 4.34Å; L44-Y49 WeakPolarHBondContact O-CB 3.28Å; L44-Y49 PolarHBondContact O-N 3.11Å; L44-I51 HydrophobicContact CB-CD1 3.6Å; L44-I51 HydrophobicContact CD1-CD1 3.78Å; L44-I51 HydrophobicContact CD2-CD1 4.34Å; L44-I51 HydrophobicContact CG-CD1 4.13Å
45	I	73.9	Confident	74	Confident	81 Å²	81	71.8 Å²	71.8	42%	0.415	40%	0.404	S	S	.	.	H	α-helix	trans	-63.5	-42.5	172	-64.8	164	0	0	0	110.8	Y41 S42 H43 V47 G48	Y41-I45 HydrophobicContact CD1-CD1 3.77Å; Y41-I45 HydrophobicContact CD2-CD1 4.39Å; Y41-I45 HydrophobicContact CE1-CD1 3.23Å; Y41-I45 HydrophobicContact CE1-CG1 4.4Å; Y41-I45 HydrophobicContact CE2-CD1 3.91Å; Y41-I45 HydrophobicContact CE2-CG1 4.3Å; Y41-I45 HydrophobicContact CG-CD1 4.32Å; Y41-I45 PolarHBondContact O-N 2.85Å; Y41-I45 VanDerWaalsContact O-N 3.14Å; S42-I45 PolarHBondContact O-N 3.42Å; H43-I45 PolarHBondContact O-N 3.13Å; I45-V47 VanDerWaalsContact C-N 3.27Å; I45-V47 PolarHBondContact O-N 3.4Å; I45-G48 PolarHBondContact O-N 3.29Å
46	S	71.6	Confident	73.8	Confident	90 Å²	90	69.1 Å²	69.1	63%	0.629	39%	0.39	S	S	*	.	H	α-helix	trans	-66.7	-27	-176.4	-61.6	0	0	0	0	113.6	S42 H43 L44 G48	S42-S46 WeakPolarHBondContact O-CB 3.28Å; S42-S46 PolarHBondContact O-N 2.9Å; S42-S46 PolarHBondContact O-OG 3Å; H43-S46 PolarHBondContact O-N 2.78Å; H43-S46 VanDerWaalsContact O-N 3.12Å; L44-S46 VanDerWaalsContact C-N 3.34Å; S46-G48 PolarHBondContact O-N 3.4Å
47	V	70.9	Confident	73.8	Confident	104 Å²	104	66.8 Å²	66.8	63%	0.63	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-1.1	174.5	-179.1	0	0	0	0	111.7	H43 I45 Y49	H43-V47 VanDerWaalsContact O-CG2 3.29Å; H43-V47 WeakPolarHBondContact O-CG2 3.34Å; H43-V47 PolarHBondContact O-N 2.89Å; I45-V47 VanDerWaalsContact C-N 3.27Å; I45-V47 PolarHBondContact O-N 3.4Å; V47-Y49 HydrophobicContact CB-CD2 3.99Å; V47-Y49 HydrophobicContact CB-CE2 4.04Å; V47-Y49 HydrophobicContact CG1-CD2 3.95Å; V47-Y49 HydrophobicContact CG1-CE2 3.52Å
48	G	56.8	Low	73.7	Confident	63 Å²	63	68.7 Å²	68.7	65%	0.649	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	14.6	174.5	0	0	0	0	0	114	I45 S46	I45-G48 PolarHBondContact O-N 3.29Å; S46-G48 PolarHBondContact O-N 3.4Å
49	Y	65.7	Low	73.5	Confident	66 Å²	66	68 Å²	68	26%	0.259	39%	0.385	S	S	.	.			trans	-79.3	124.3	174.1	-66.5	-78.4	0	0	0	110.7	L44 V47 I51	L44-Y49 HydrophobicContact CD2-CD2 4.34Å; L44-Y49 WeakPolarHBondContact O-CB 3.28Å; L44-Y49 PolarHBondContact O-N 3.11Å; V47-Y49 HydrophobicContact CB-CD2 3.99Å; V47-Y49 HydrophobicContact CB-CE2 4.04Å; V47-Y49 HydrophobicContact CG1-CD2 3.95Å; V47-Y49 HydrophobicContact CG1-CE2 3.52Å; Y49-I51 VanDerWaalsContact C-N 3.33Å; Y49-I51 PolarHBondContact O-N 3.42Å
50	C	54.2	Low	73.4	Confident	140 Å²	140	63 Å²	63	95%	0.946	36%	0.362	S	S	*	.			trans	-75.7	83	171.2	-65.3	0	0	0	0	110
51	I	64.9	Low	73.5	Confident	41 Å²	41	65.4 Å²	65.4	21%	0.21	37%	0.372	C	S	.	.			trans	-101.1	130.1	178.4	-51.7	-174.2	0	0	0	109.4	F10 L44 Y49 K53	F10-I51 HydrophobicContact CB-CD1 4.45Å; F10-I51 HydrophobicContact CB-CG2 4.18Å; L44-I51 HydrophobicContact CB-CD1 3.6Å; L44-I51 HydrophobicContact CD1-CD1 3.78Å; L44-I51 HydrophobicContact CD2-CD1 4.34Å; L44-I51 HydrophobicContact CG-CD1 4.13Å; Y49-I51 VanDerWaalsContact C-N 3.33Å; Y49-I51 PolarHBondContact O-N 3.42Å; I51-K53 PolarHBondContact O-N 3.13Å
52	T	66.8	Low	73.5	Confident	129 Å²	129	71.2 Å²	71.2	79%	0.791	40%	0.398	S	S	*	.			trans	-67.1	131	171.2	47.4	0	0	0	0	109.5	P54	T52-P54 WeakPolarHBondContact O-CD 3.49Å
53	K	77.3	Confident	73.3	Confident	92 Å²	92	71.2 Å²	71.2	40%	0.4	41%	0.405	S	S	.	.			trans	-55.9	114.6	-175.1	-170.5	170.4	-170.4	167	0	111.3	Y41 I51 I57 E61	Y41-K53 HydrophobicContact CE1-CG 4.16Å; Y41-K53 VanDerWaalsContact OH-CA 3.29Å; Y41-K53 WeakPolarHBondContact OH-CA 3.46Å; Y41-K53 VanDerWaalsContact OH-CB 3.26Å; Y41-K53 WeakPolarHBondContact OH-CB 3.25Å; Y41-K53 WeakPolarHBondContact OH-CG 3.35Å; I51-K53 PolarHBondContact O-N 3.13Å; K53-I57 HydrophobicContact CG-CG2 4.22Å; K53-E61 WeakPolarHBondContact CE-OE1 3.28Å; K53-E61 WeakPolarHBondContact CE-OE2 3.4Å; K53-E61 IonicContact NZ-OE1 2.65Å; K53-E61 PolarHBondContact NZ-OE1 2.87Å; K53-E61 IonicContact NZ-OE2 3.97Å; K53-E61 PolarHBondContact NZ-OE2 3.24Å
54	P	77.4	Confident	73.2	Confident	25 Å²	25	71.4 Å²	71.4	16%	0.162	41%	0.406	C	S	.	.			trans	-63.1	144.8	-178.6	-22.8	33.3	0	0	0	111.4	F10 Y41 T52 V56 I57 S58	F10-P54 HydrophobicContact CB-CG 4.34Å; F10-P54 HydrophobicContact CD1-CB 4.04Å; F10-P54 HydrophobicContact CD1-CG 3.43Å; F10-P54 VanDerWaalsContact CD1-CG 3.43Å; F10-P54 HydrophobicContact CD2-CG 4.27Å; F10-P54 HydrophobicContact CE1-CB 4.06Å; F10-P54 HydrophobicContact CE1-CG 3.76Å; F10-P54 HydrophobicContact CG-CG 3.73Å; F10-P54 HydrophobicContact CZ-CG 4.36Å; Y41-P54 HydrophobicContact CD2-CG 4.31Å; Y41-P54 HydrophobicContact CE2-CG 4.36Å; T52-P54 WeakPolarHBondContact O-CD 3.49Å; P54-V56 HydrophobicContact CB-CG1 3.95Å; P54-V56 PolarHBondContact O-N 3.12Å; P54-I57 HydrophobicContact CB-CB 4.41Å; P54-I57 HydrophobicContact CB-CG1 4.05Å; P54-I57 HydrophobicContact CG-CG1 4.04Å; P54-I57 WeakPolarHBondContact O-CB 3.45Å; P54-I57 PolarHBondContact O-N 3.13Å; P54-I57 VanDerWaalsContact O-N 3.1Å; P54-S58 PolarHBondContact O-N 3.25Å; P54-S58 VanDerWaalsContact O-N 3.13Å; P54-S58 PolarHBondContact O-OG 3.16Å
55	K	73.5	Confident	73.1	Confident	160 Å²	160	75.6 Å²	75.6	70%	0.696	43%	0.425	S	S	*	.	H	α-helix	trans	-57.5	-38.9	177.7	-71.5	-177	-179.9	180	0	111.8	I57 S58 K59	K55-I57 VanDerWaalsContact C-N 3.34Å; K55-I57 PolarHBondContact O-N 3.31Å; K55-S58 WeakPolarHBondContact O-CB 3.35Å; K55-S58 PolarHBondContact O-N 3.48Å; K55-K59 WeakPolarHBondContact O-CG 3.45Å; K55-K59 PolarHBondContact O-N 3.23Å
56	V	75.3	Confident	72.7	Confident	34 Å²	34	72.3 Å²	72.3	21%	0.206	41%	0.409	C	S	.	.	H	α-helix	trans	-59.9	-42.1	176.7	64.6	0	0	0	0	112	F10 P54 S58 K59 L60 P66	F10-V56 HydrophobicContact CE1-CG1 4.1Å; P54-V56 HydrophobicContact CB-CG1 3.95Å; P54-V56 PolarHBondContact O-N 3.12Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 3.42Å; V56-K59 PolarHBondContact O-N 2.88Å; V56-L60 HydrophobicContact CG2-CD1 4.11Å; V56-L60 HydrophobicContact CG2-CG 4.37Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 VanDerWaalsContact O-CG 3.27Å; V56-L60 WeakPolarHBondContact O-CG 3.3Å; V56-L60 PolarHBondContact O-N 3.17Å; V56-P66 HydrophobicContact CG2-CB 3.88Å
57	I	82.1	Confident	72.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-63.9	-41.2	175.9	-66	-57.2	0	0	0	111	F10 M37 L38 Y41 K53 P54 K55 K59 L60 E61	F10-I57 HydrophobicContact CE1-CD1 4.4Å; F10-I57 HydrophobicContact CE1-CG1 4.17Å; F10-I57 HydrophobicContact CE2-CD1 4.03Å; F10-I57 HydrophobicContact CE2-CG1 4.12Å; F10-I57 HydrophobicContact CZ-CD1 3.53Å; F10-I57 HydrophobicContact CZ-CG1 3.66Å; M37-I57 HydrophobicContact CB-CD1 4.29Å; M37-I57 VanDerWaalsContact O-CD1 3.28Å; M37-I57 WeakPolarHBondContact O-CD1 3.49Å; L38-I57 HydrophobicContact CD2-CD1 4.27Å; L38-I57 HydrophobicContact CD2-CG2 3.98Å; Y41-I57 HydrophobicContact CD1-CG2 3.64Å; Y41-I57 HydrophobicContact CD2-CG1 4.21Å; Y41-I57 HydrophobicContact CE1-CG2 3.97Å; Y41-I57 HydrophobicContact CG-CD1 4.37Å; Y41-I57 HydrophobicContact CG-CG1 3.99Å; Y41-I57 HydrophobicContact CG-CG2 3.97Å; K53-I57 HydrophobicContact CG-CG2 4.22Å; P54-I57 HydrophobicContact CB-CB 4.41Å; P54-I57 HydrophobicContact CB-CG1 4.05Å; P54-I57 HydrophobicContact CG-CG1 4.04Å; P54-I57 WeakPolarHBondContact O-CB 3.45Å; P54-I57 PolarHBondContact O-N 3.13Å; P54-I57 VanDerWaalsContact O-N 3.1Å; K55-I57 VanDerWaalsContact C-N 3.34Å; K55-I57 PolarHBondContact O-N 3.31Å; I57-K59 VanDerWaalsContact C-N 3.31Å; I57-K59 PolarHBondContact O-N 3.27Å; I57-L60 PolarHBondContact O-N 3.27Å; I57-E61 WeakPolarHBondContact O-CG 3.32Å; I57-E61 PolarHBondContact O-N 3.48Å
58	S	81	Confident	71.7	Confident	41 Å²	41	68.8 Å²	68.8	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-64.5	-34.2	178.3	-57.7	0	0	0	0	112.9	P54 K55 V56 K62	P54-S58 PolarHBondContact O-N 3.25Å; P54-S58 VanDerWaalsContact O-N 3.13Å; P54-S58 PolarHBondContact O-OG 3.16Å; K55-S58 WeakPolarHBondContact O-CB 3.35Å; K55-S58 PolarHBondContact O-N 3.48Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 3.42Å; S58-K62 WeakPolarHBondContact O-CG 3.22Å
59	K	77.1	Confident	71.1	Confident	28 Å²	28	72.6 Å²	72.6	12%	0.122	38%	0.382	C	S	.	.	H	α-helix	trans	-73.8	-45.2	174.5	-69.2	177	-177.1	175.6	0	111.6	K55 V56 I57 E61 K62 G63 E64 P66 W67 S68 D71	K55-K59 WeakPolarHBondContact O-CG 3.45Å; K55-K59 PolarHBondContact O-N 3.23Å; V56-K59 PolarHBondContact O-N 2.88Å; I57-K59 VanDerWaalsContact C-N 3.31Å; I57-K59 PolarHBondContact O-N 3.27Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 3.43Å; K59-K62 CarbonylContact O-C 3.52Å; K59-K62 WeakPolarHBondContact O-CA 3.36Å; K59-K62 PolarHBondContact O-N 3.39Å; K59-G63 PolarHBondContact O-N 3Å; K59-G63 VanDerWaalsContact O-N 3.1Å; K59-E64 HydrophobicContact CB-CB 4.16Å; K59-E64 PolarHBondContact O-N 2.75Å; K59-P66 WeakPolarHBondContact CD-O 3.34Å; K59-W67 VanDerWaalsContact NZ-C 3.27Å; K59-S68 VanDerWaalsContact NZ-CB 3.3Å; K59-S68 PolarHBondContact NZ-OG 3.44Å; K59-D71 IonicContact NZ-OD2 3.27Å; K59-D71 PolarHBondContact NZ-OD2 3.04Å
60	L	81.3	Confident	70.1	Confident	6 Å²	6	76.8 Å²	76.8	3%	0.031	40%	0.404	C	S	.	.	H	α-helix	trans	-60.7	-37.6	177	-73	177.6	0	0	0	111.9	Y33 R34 M37 L38 V56 I57 K62 G63 P66	Y33-L60 HydrophobicContact CD1-CD2 4.39Å; Y33-L60 HydrophobicContact CE1-CD1 4.1Å; Y33-L60 HydrophobicContact CE1-CD2 4.3Å; R34-L60 HydrophobicContact CB-CD2 4.26Å; R34-L60 HydrophobicContact CG-CB 4.27Å; R34-L60 HydrophobicContact CG-CD2 4.2Å; R34-L60 PolarHBondContact NE-O 3.05Å; R34-L60 PolarHBondContact NH2-O 3.22Å; M37-L60 HydrophobicContact CB-CD1 3.68Å; M37-L60 HydrophobicContact CG-CD1 4.29Å; L38-L60 HydrophobicContact CD2-CB 4.26Å; V56-L60 HydrophobicContact CG2-CD1 4.11Å; V56-L60 HydrophobicContact CG2-CG 4.37Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 VanDerWaalsContact O-CG 3.27Å; V56-L60 WeakPolarHBondContact O-CG 3.3Å; V56-L60 PolarHBondContact O-N 3.17Å; I57-L60 PolarHBondContact O-N 3.27Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.17Å; L60-G63 PolarHBondContact O-N 3.41Å; L60-G63 VanDerWaalsContact O-N 3.14Å; L60-P66 HydrophobicContact CD2-CG 4.2Å
61	E	82.1	Confident	69.9	Low	90 Å²	90	72.5 Å²	72.5	42%	0.421	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-36.7	173.7	-76.5	177.8	-179.4	0	0	112.9	R34 L38 K53 I57 K59 G63	R34-E61 PolarHBondContact NH2-O 2.99Å; L38-E61 HydrophobicContact CD2-CG 3.64Å; K53-E61 WeakPolarHBondContact CE-OE1 3.28Å; K53-E61 WeakPolarHBondContact CE-OE2 3.4Å; K53-E61 IonicContact NZ-OE1 2.65Å; K53-E61 PolarHBondContact NZ-OE1 2.87Å; K53-E61 IonicContact NZ-OE2 3.97Å; K53-E61 PolarHBondContact NZ-OE2 3.24Å; I57-E61 WeakPolarHBondContact O-CG 3.32Å; I57-E61 PolarHBondContact O-N 3.48Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 3.43Å; E61-G63 PolarHBondContact O-N 3.19Å
62	K	80.7	Confident	69.1	Low	149 Å²	149	73.4 Å²	73.4	65%	0.648	38%	0.375	S	S	*	.	H	α-helix	trans	-76.4	-8.5	176.3	-65.5	177.2	-175.8	-179	0	113.7	S58 K59 L60 E64	S58-K62 WeakPolarHBondContact O-CG 3.22Å; K59-K62 CarbonylContact O-C 3.52Å; K59-K62 WeakPolarHBondContact O-CA 3.36Å; K59-K62 PolarHBondContact O-N 3.39Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 3.17Å; K62-E64 VanDerWaalsContact C-N 3.26Å; K62-E64 HydrophobicContact CB-CG 3.95Å; K62-E64 WeakPolarHBondContact CD-OE1 3.37Å
63	G	74.4	Confident	68.1	Low	48 Å²	48	74.2 Å²	74.2	50%	0.495	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	18.6	-175.2	0	0	0	0	0	113.1	R34 K59 L60 E61	R34-G63 VanDerWaalsContact NH2-N 3.19Å; K59-G63 PolarHBondContact O-N 3Å; K59-G63 VanDerWaalsContact O-N 3.1Å; L60-G63 PolarHBondContact O-N 3.41Å; L60-G63 VanDerWaalsContact O-N 3.14Å; E61-G63 PolarHBondContact O-N 3.19Å
64	E	77	Confident	66.5	Low	99 Å²	99	73.7 Å²	73.7	46%	0.463	37%	0.369	S	S	.	.			trans	-84.5	158.9	175	-65	168.7	-169	0	0	110.1	K59 K62	K59-E64 HydrophobicContact CB-CB 4.16Å; K59-E64 PolarHBondContact O-N 2.75Å; K62-E64 VanDerWaalsContact C-N 3.26Å; K62-E64 HydrophobicContact CB-CG 3.95Å; K62-E64 WeakPolarHBondContact CD-OE1 3.37Å
65	E	71.4	Confident	65	Low	101 Å²	101	76.5 Å²	76.5	47%	0.472	38%	0.382	S	S	.	.			trans	-65.2	151.5	174.2	-66.6	-161.1	159	0	0	111.5	W67	E65-W67 PolarHBondContact O-N 3.15Å; E65-W67 PolarHBondContact OE2-NE1 3.17Å
66	P	66.1	Low	63.8	Low	12 Å²	12	75.6 Å²	75.6	8%	0.078	38%	0.381	C	S	.	.	S	Bend	trans	-57.8	-21.9	-174.9	-27.5	36.4	0	0	0	115.5	W22 Y33 V56 K59 L60	W22-P66 HydrophobicContact CH2-CG 4.16Å; W22-P66 HydrophobicContact CZ2-CG 4.09Å; Y33-P66 HydrophobicContact CE1-CG 3.96Å; V56-P66 HydrophobicContact CG2-CB 3.88Å; K59-P66 WeakPolarHBondContact CD-O 3.34Å; L60-P66 HydrophobicContact CD2-CG 4.2Å
67	W	65.6	Low	62	Low	81 Å²	81	82.5 Å²	82.5	31%	0.307	40%	0.403	S	S	.	.			trans	-111.6	151.3	-172.1	12.7	80.4	0	0	0	113	F17 W22 K59 E65	F17-W67 WeakPolarHBondContact O-CH2 3.47Å; F17-W67 WeakPolarHBondContact O-CZ3 3.38Å; W22-W67 HydrophobicContact CB-CH2 3.82Å; W22-W67 HydrophobicContact CB-CZ2 3.55Å; W22-W67 AromaticContact CD1-CZ2 3.6Å; W22-W67 HydrophobicContact CD2-CH2 4.1Å; W22-W67 AromaticContact CD2-CZ2 3.77Å; W22-W67 HydrophobicContact CD2-CZ2 3.77Å; W22-W67 HydrophobicContact CE3-CH2 4.31Å; W22-W67 HydrophobicContact CE3-CZ2 4.42Å; W22-W67 AromaticContact CG-CH2 3.92Å; W22-W67 HydrophobicContact CG-CH2 3.92Å; W22-W67 AromaticContact CG-CZ2 3.35Å; W22-W67 HydrophobicContact CG-CZ2 3.35Å; K59-W67 VanDerWaalsContact NZ-C 3.27Å; E65-W67 PolarHBondContact O-N 3.15Å; E65-W67 PolarHBondContact OE2-NE1 3.17Å
68	S	54	Low	60	Low	39 Å²	39	89 Å²	89	27%	0.273	43%	0.428	S	S	.	.			trans	-117.9	151.5	166.8	36.9	0	0	0	0	110.9	K59 E70 D71	K59-S68 VanDerWaalsContact NZ-CB 3.3Å; K59-S68 PolarHBondContact NZ-OG 3.44Å; S68-E70 PolarHBondContact O-N 3.41Å; S68-D71 PolarHBondContact N-OD2 3.12Å; S68-D71 WeakPolarHBondContact O-CB 3.45Å; S68-D71 PolarHBondContact O-N 3.49Å; S68-D71 PolarHBondContact OG-OD2 3.25Å
69	L	44.5	Very low	57.9	Low	144 Å²	144	92.6 Å²	92.6	75%	0.754	45%	0.451	S	S	*	.	H	α-helix	trans	-53.8	-25.5	177.4	-76.1	157.4	0	0	0	113.6	E72	L69-E72 VanDerWaalsContact O-CB 3.28Å; L69-E72 WeakPolarHBondContact O-CB 3.43Å; L69-E72 PolarHBondContact O-N 3.24Å
70	E	46.3	Very low	56.5	Low	154 Å²	154	93 Å²	93	72%	0.72	46%	0.462	S	S	*	.	H	α-helix	trans	-75.9	-29.8	177.1	-70.6	164.6	165.9	0	0	113.3	S68 E72 F73	S68-E70 PolarHBondContact O-N 3.41Å; E70-E72 PolarHBondContact O-N 3.38Å; E70-F73 PolarHBondContact O-N 3.43Å
71	D	49.3	Very low	54.6	Low	49 Å²	49	99.9 Å²	99.9	26%	0.262	49%	0.489	S	S	.	.	H	α-helix	trans	-71	-25.3	174.7	-59.2	-48.7	0	0	0	110.8	K59 S68 N75	K59-D71 IonicContact NZ-OD2 3.27Å; K59-D71 PolarHBondContact NZ-OD2 3.04Å; S68-D71 PolarHBondContact N-OD2 3.12Å; S68-D71 WeakPolarHBondContact O-CB 3.45Å; S68-D71 PolarHBondContact O-N 3.49Å; S68-D71 PolarHBondContact OG-OD2 3.25Å; D71-N75 WeakPolarHBondContact O-CB 3.42Å; D71-N75 PolarHBondContact O-N 2.77Å
72	E	48.6	Very low	52.4	Low	60 Å²	60	102.3 Å²	102.3	28%	0.28	50%	0.498	S	S	.	.	H	α-helix	trans	-70.7	-39.9	178.4	-144.6	169	-176.3	0	0	111.7	R19 L69 E70 Q76	R19-E72 IonicContact CZ-OE1 3.66Å; R19-E72 IonicContact NH1-OE1 3.44Å; R19-E72 PolarHBondContact NH1-OE1 2.99Å; R19-E72 IonicContact NH2-OE1 2.93Å; L69-E72 VanDerWaalsContact O-CB 3.28Å; L69-E72 WeakPolarHBondContact O-CB 3.43Å; L69-E72 PolarHBondContact O-N 3.24Å; E70-E72 PolarHBondContact O-N 3.38Å; E72-Q76 VanDerWaalsContact O-CB 3.27Å; E72-Q76 WeakPolarHBondContact O-CB 3.37Å; E72-Q76 VanDerWaalsContact O-CG 3.26Å; E72-Q76 WeakPolarHBondContact O-CG 3.44Å; E72-Q76 PolarHBondContact O-N 3.08Å
73	F	45.3	Very low	50.3	Low	147 Å²	147	103.6 Å²	103.6	65%	0.645	50%	0.504	S	S	*	.	H	α-helix	trans	-69.4	-35	179.7	-143	-91.9	0	0	0	112.4	E70 R77	E70-F73 PolarHBondContact O-N 3.43Å; F73-R77 WeakPolarHBondContact O-CB 2.95Å; F73-R77 PolarHBondContact O-N 3.34Å; F73-R77 VanDerWaalsContact O-N 3.13Å
74	L	43.7	Very low	48.1	Very low	80 Å²	80	108.3 Å²	108.3	42%	0.419	52%	0.523	S	S	.	.	H	α-helix	trans	-75.5	-39.4	177.8	-81.9	162	0	0	0	112.4	R77 Y78	L74-R77 PolarHBondContact O-N 3.46Å; L74-Y78 PolarHBondContact O-N 2.8Å
75	N	45.9	Very low	45.8	Very low	84 Å²	84	111.1 Å²	111.1	45%	0.449	54%	0.541	S	S	.	.	H	α-helix	trans	-78.1	-26.3	179.6	-148.1	18	0	0	0	112.7	D71 Y78 P79	D71-N75 WeakPolarHBondContact O-CB 3.42Å; D71-N75 PolarHBondContact O-N 2.77Å; N75-Y78 CarbonylContact O-C 3.28Å; N75-P79 WeakPolarHBondContact O-CA 3.45Å
76	Q	48.2	Very low	44	Very low	142 Å²	142	114.4 Å²	114.4	66%	0.664	56%	0.556	S	S	*	*	H	α-helix	trans	-74.1	-34.8	169	-77	178.9	3.3	0	0	112.7	E72	E72-Q76 VanDerWaalsContact O-CB 3.27Å; E72-Q76 WeakPolarHBondContact O-CB 3.37Å; E72-Q76 VanDerWaalsContact O-CG 3.26Å; E72-Q76 WeakPolarHBondContact O-CG 3.44Å; E72-Q76 PolarHBondContact O-N 3.08Å
77	R	37.8	Very low	42.2	Very low	178 Å²	178	121.7 Å²	121.7	67%	0.672	59%	0.593	S	S	*	*	H	α-helix	trans	-84.1	-25.2	-180	-162.2	153.3	-175.1	100.6	-1.5	113.5	F73 L74	F73-R77 WeakPolarHBondContact O-CB 2.95Å; F73-R77 PolarHBondContact O-N 3.34Å; F73-R77 VanDerWaalsContact O-N 3.13Å; L74-R77 PolarHBondContact O-N 3.46Å
78	Y	39	Very low	40.5	Very low	137 Å²	137	126.2 Å²	126.2	54%	0.537	62%	0.615	S	S	.	*	S	Bend	trans	-138	85.8	175.2	-60.9	-78.9	0	0	0	110.3	L74 N75 G80 Y81	L74-Y78 PolarHBondContact O-N 2.8Å; N75-Y78 CarbonylContact O-C 3.28Å; Y78-G80 PolarHBondContact O-N 3.1Å; Y78-G80 VanDerWaalsContact O-N 3.08Å; Y78-Y81 WeakPolarHBondContact O-CB 3.45Å; Y78-Y81 PolarHBondContact O-N 3.45Å; Y78-Y81 VanDerWaalsContact O-N 3.1Å
79	P	38.2	Very low	39.2	Very low	117 Å²	117	127.5 Å²	127.5	76%	0.76	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	115.8	176.5	-17.4	29.3	0	0	0	109.5	N75	N75-P79 WeakPolarHBondContact O-CA 3.45Å
80	G	46.1	Very low	38.4	Very low	35 Å²	35	126.6 Å²	126.6	36%	0.361	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	95	12.7	-178.6	0	0	0	0	0	115.5	Y78 F82 K83	Y78-G80 PolarHBondContact O-N 3.1Å; Y78-G80 VanDerWaalsContact O-N 3.08Å; G80-F82 PolarHBondContact O-N 3.1Å; G80-K83 PolarHBondContact O-N 2.74Å
81	Y	42.4	Very low	37.4	Very low	151 Å²	151	129.8 Å²	129.8	59%	0.592	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-21.3	169.8	-171	-102.9	0	0	0	113.3	Y78	Y78-Y81 WeakPolarHBondContact O-CB 3.45Å; Y78-Y81 PolarHBondContact O-N 3.45Å; Y78-Y81 VanDerWaalsContact O-N 3.1Å
82	F	36.7	Very low	36.5	Very low	141 Å²	141	135.9 Å²	135.9	62%	0.618	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	8.8	172.2	-71.4	-78	0	0	0	114.8	G80	G80-F82 PolarHBondContact O-N 3.1Å
83	K	35	Very low	35.5	Very low	177 Å²	177	143 Å²	143	77%	0.77	69%	0.69	S	S	*	*			trans	-89.8	109.1	169.2	-89.9	-176.2	174.1	177.8	0	109.5	G80	G80-K83 PolarHBondContact O-N 2.74Å
84	V	28.4	Very low	34.9	Very low	147 Å²	147	144.3 Å²	144.3	89%	0.891	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-97.8	132	156.3	-175.9	0	0	0	0	107.3
85	D	30.2	Very low	34	Very low	157 Å²	157	149.5 Å²	149.5	84%	0.84	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-56.8	135.9	-157	-78.6	-54.4	0	0	0	116.9
86	H	33.2	Very low	33.2	Very low	171 Å²	171	154.6 Å²	154.6	79%	0.792	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-67.4	133.7	167	-158.2	68.6	0	0	0	110.5	K88	H86-K88 PolarHBondContact O-N 2.88Å; H86-K88 VanDerWaalsContact O-N 3.15Å
87	I	28.2	Very low	32.1	Very low	164 Å²	164	153 Å²	153	84%	0.841	74%	0.741	S	S	*	*			trans	-67.2	114.4	159.7	-68.9	-179.2	0	0	0	107.5
88	K	30.5	Very low	31.4	Very low	177 Å²	177	151.9 Å²	151.9	77%	0.77	75%	0.748	S	S	*	*			trans	-55.8	139.3	177.5	-80.1	174.6	174.7	171.9	0	113.6	H86 I90	H86-K88 PolarHBondContact O-N 2.88Å; H86-K88 VanDerWaalsContact O-N 3.15Å; K88-I90 HydrophobicContact CB-CD1 4.32Å; K88-I90 HydrophobicContact CB-CG1 4.45Å; K88-I90 HydrophobicContact CD-CD1 4.19Å; K88-I90 HydrophobicContact CG-CD1 4.24Å
89	G	25.1	Very low	30.8	Very low	65 Å²	65	155.9 Å²	155.9	67%	0.67	76%	0.762	S	S	*	*			trans	174.4	60.9	150	0	0	0	0	0	109.1
90	I	28.6	Very low	30.3	Very low	126 Å²	126	157.4 Å²	157.4	65%	0.646	76%	0.759	S	S	*	*				44.2	112.4	94.9	-58.6	-177.9	0	0	0	109.7	K88	K88-I90 HydrophobicContact CB-CD1 4.32Å; K88-I90 HydrophobicContact CB-CG1 4.45Å; K88-I90 HydrophobicContact CD-CD1 4.19Å; K88-I90 HydrophobicContact CG-CD1 4.24Å
91	R	25.6	Very low	29.3	Very low	221 Å²	221	164.7 Å²	164.7	83%	0.834	78%	0.784	S	S	*	*			cis	-165.9	127.8	25.4	-117.5	161.5	-172.2	-176.2	0.3	106.4
92	E	30.9	Very low	28.5	Very low	176 Å²	176	164.6 Å²	164.6	82%	0.822	79%	0.792	S	S	*	*				31.6	107.8	89.2	-80.7	-177.1	167.7	0	0	115.4
93	K	27.2	Very low	27.8	Very low	209 Å²	209	166 Å²	166	91%	0.909	80%	0.798	S	S	*	*				-156.9	128.7	114.5	-105.5	177.7	-177.2	-170.9	0	111
94	Q	32.2	Very low	27.4	Very low	176 Å²	176	164 Å²	164	82%	0.822	79%	0.794	S	S	*	*			trans	-60.4	147.3	173.3	-61.3	172.9	-19.2	0	0	111.1
95	E	25.5	Very low	27.1	Very low	189 Å²	189	161.7 Å²	161.7	88%	0.883	78%	0.784	S	S	*	*				177.1	158	116.1	-93.1	174.6	-168.6	0	0	111.8
96	K	27.7	Very low	26.9	Very low	191 Å²	191	161.5 Å²	161.5	83%	0.83	78%	0.783	S	S	*	*			trans	-53.4	162.1	-165.7	-78.2	169.7	177.1	173.6	0	117	L98	K96-L98 PolarHBondContact O-N 3.35Å
97	P	25.6	Very low	26.5	Very low	109 Å²	109	157.7 Å²	157.7	71%	0.708	78%	0.781	S	S	*	*			trans	-73	112.4	-176.1	29.9	-33.2	0	0	0	111.5
98	L	23.7	Very low	26.4	Very low	154 Å²	154	156 Å²	156	81%	0.806	77%	0.774	S	S	*	*			trans	-97.1	84.5	172.8	-141	107.1	0	0	0	108.6	K96	K96-L98 PolarHBondContact O-N 3.35Å
99	W	25.3	Very low	26.3	Very low	220 Å²	220	155.5 Å²	155.5	83%	0.833	77%	0.772	S	S	*	*			trans	-106.5	17.9	162.3	54.7	-100.6	0	0	0	112.7
100	Q	27.4	Very low	26.4	Very low	149 Å²	149	158.2 Å²	158.2	70%	0.696	78%	0.776	S	S	*	*			trans	-109.9	100.5	158.9	-77.8	178.9	-28.6	0	0	108.1
101	E	25.8	Very low	26.2	Very low	189 Å²	189	159.2 Å²	159.2	88%	0.883	78%	0.782	S	S	*	*				166.5	131.5	123.9	-89.5	177.3	-178.9	0	0	110.8
102	I	26	Very low	26.2	Very low	149 Å²	149	153.6 Å²	153.6	76%	0.764	78%	0.776	S	S	*	*			trans	-99.9	136.8	177.1	-53.8	172.2	0	0	0	106.4
103	F	22.8	Very low	26.1	Very low	171 Å²	171	153.8 Å²	153.8	75%	0.75	77%	0.774	S	S	*	*			trans	148.1	122.5	132.7	-99.5	-97.7	0	0	0	114.5
104	I	24.8	Very low	26	Very low	135 Å²	135	152.6 Å²	152.6	69%	0.692	77%	0.772	S	S	*	*			trans	38.3	129.3	132.5	-52.2	-174.4	0	0	0	121.2
105	S	23.7	Very low	25.7	Very low	97 Å²	97	147.4 Å²	147.4	68%	0.678	77%	0.766	S	S	*	*				145.5	110.9	121.2	89.9	0	0	0	0	109.2
106	D	25.3	Very low	25.7	Very low	153 Å²	153	146.6 Å²	146.6	82%	0.818	76%	0.762	S	S	*	*				97.2	137.8	87.9	-93.6	-24.5	0	0	0	113.5
107	A	25.1	Very low	25.6	Very low	91 Å²	91	146.4 Å²	146.4	75%	0.752	76%	0.761	S	S	*	*			trans	69.6	138	162.9	0	0	0	0	0	116.7
108	D	25.4	Very low	25.6	Very low	128 Å²	128	147.5 Å²	147.5	68%	0.684	77%	0.766	S	S	*	*			cis	-160.2	168.4	12.2	-138.4	-25.4	0	0	0	110.3
109	K	29.3	Very low	25.7	Very low	167 Å²	167	148.1 Å²	148.1	73%	0.726	77%	0.769	S	S	*	*			trans	-52.5	157.4	-179.9	-58	143.5	-170.3	146.1	0	112.4
110	T	26.8	Very low	25.7	Very low	123 Å²	123	146.9 Å²	146.9	76%	0.755	77%	0.772	S	S	*	*				178.7	121.2	73.6	33.8	0	0	0	0	108.2
111	L	24.2	Very low	25.5	Very low	147 Å²	147	148.9 Å²	148.9	77%	0.77	78%	0.779	S	S	*	*				61.8	108.6	92.7	-84.6	166.8	0	0	0	116.5
112	S	26.6	Very low	25.8	Very low	103 Å²	103	144.9 Å²	144.9	72%	0.72	77%	0.769	S	S	*	*				173	110.2	117.5	-169.1	0	0	0	0	107.3
113	K	27.1	Very low	25.6	Very low	179 Å²	179	146.4 Å²	146.4	78%	0.778	77%	0.77	S	S	*	*				58.5	68.3	69.3	-73.7	-166	178.9	-178.6	0	115.4
114	E	26	Very low	25.5	Very low	185 Å²	185	144 Å²	144	86%	0.864	77%	0.766	S	S	*	*				-122.1	123.8	125.8	-87.7	100.1	-172.1	0	0	106.4
115	G	24.8	Very low	25.5	Very low	67 Å²	67	144 Å²	144	69%	0.691	77%	0.766	S	S	*	*			cis	102.5	48.5	23	0	0	0	0	0	111.9
116	Q	26.6	Very low	25.4	Very low	172 Å²	172	146.7 Å²	146.7	80%	0.804	77%	0.768	S	S	*	*			trans	171.7	122.5	132.6	-97.8	167.2	-0.8	0	0	112.6
117	K	26.2	Very low	25.7	Very low	186 Å²	186	147.4 Å²	147.4	81%	0.809	77%	0.77	S	S	*	*			trans	48.6	115.2	138.6	-61.8	177.1	176	-179.7	0	115.9
118	V	24.9	Very low	25.6	Very low	133 Å²	133	147.1 Å²	147.1	81%	0.806	77%	0.768	S	S	*	*	S	Bend		-164.5	142.8	78.7	154.1	0	0	0	0	109.9
119	L	25.6	Very low	26.1	Very low	167 Å²	167	146.5 Å²	146.5	87%	0.874	77%	0.771	S	S	*	*			trans	89.7	76.9	174.8	-65.8	161.1	0	0	0	117.9
120	E	25.5	Very low	25.8	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	78%	0.775	S	S	*	*			trans	-70.6	133.1	153.8	-70.6	176	156.6	0	0	110.7
121	K	23.3	Very low	25.7	Very low	192 Å²	192	147.7 Å²	147.7	84%	0.835	77%	0.774	S	S	*	*			trans	-66.9	-175.6	151.9	-69.8	178.9	176.8	177.3	0	109.3
122	P	32.8	Very low	25.6	Very low	105 Å²	105	144.8 Å²	144.8	68%	0.682	77%	0.766	S	S	*	*			cis	-127.5	167.4	-29.6	23.5	-2.4	0	0	0	111.3
123	F	20.5	Very low	25.6	Very low	180 Å²	180	147.1 Å²	147.1	79%	0.789	77%	0.766	S	S	*	*			trans	151.2	135.9	135	-102.3	-91.1	0	0	0	111.6
124	N	21.8	Very low	25.6	Very low	122 Å²	122	146.3 Å²	146.3	65%	0.652	76%	0.762	S	S	*	*			trans	71.3	139	142.1	-84.5	-10.8	0	0	0	123
125	L	23.5	Very low	25.4	Very low	133 Å²	133	145.1 Å²	145.1	70%	0.696	76%	0.76	S	S	*	*			trans	68.5	143.9	143.7	-67.5	155.2	0	0	0	113.3
126	E	23.3	Very low	25.3	Very low	155 Å²	155	147.2 Å²	147.2	72%	0.724	76%	0.764	S	S	*	*			cis	-173.7	145.2	30.9	-131	149.4	-147.8	0	0	106.3
127	I	30	Very low	25.2	Very low	167 Å²	167	144.3 Å²	144.3	86%	0.856	76%	0.762	S	S	*	*			trans	-81.4	137.7	152.3	-65.2	171.4	0	0	0	105.5
128	A	24.3	Very low	25.2	Very low	86 Å²	86	144.8 Å²	144.8	71%	0.711	76%	0.764	S	S	*	*			trans	-143.6	152	158.3	0	0	0	0	0	113.5
129	P	35.2	Very low	25.1	Very low	114 Å²	114	142.7 Å²	142.7	74%	0.74	75%	0.754	S	S	*	*			trans	-129.3	168.2	-146	39.9	-23.2	0	0	0	114
130	E	23.7	Very low	25	Very low	176 Å²	176	142 Å²	142	82%	0.822	75%	0.751	S	S	*	*			trans	-156.3	132.8	156.8	-73	-157	-174.4	0	0	106.7
131	L	24.7	Very low	25	Very low	139 Å²	139	137.6 Å²	137.6	73%	0.728	74%	0.742	S	S	*	*			cis	-160.7	134.7	18.5	-105	152.1	0	0	0	110.3
132	S	22.1	Very low	25.2	Very low	86 Å²	86	136.8 Å²	136.8	60%	0.601	74%	0.74	S	S	*	*			trans	45.2	117.6	138.2	63.6	0	0	0	0	122.1
133	E	26.5	Very low	24.8	Very low	153 Å²	153	142 Å²	142	72%	0.715	75%	0.747	S	S	*	*				98.6	135.4	102.2	-84.8	-174.5	-171.8	0	0	111.9
134	K	26	Very low	25	Very low	161 Å²	161	141.3 Å²	141.3	70%	0.7	75%	0.748	S	S	*	*			cis	-155.3	127.4	21.7	-104.8	148.5	173.8	134.7	0	107.5
135	I	22.8	Very low	25.1	Very low	160 Å²	160	142.1 Å²	142.1	82%	0.821	75%	0.752	S	S	*	*				50.5	107.6	100.4	-52.9	171.9	0	0	0	114.3
136	S	22.8	Very low	25.4	Very low	112 Å²	112	143.4 Å²	143.4	78%	0.783	76%	0.759	S	S	*	*				-168.9	118.4	94.9	67.7	0	0	0	0	111.8
137	C	24.3	Very low	25.6	Very low	111 Å²	111	141.6 Å²	141.6	75%	0.75	76%	0.761	S	S	*	*			trans	-78.7	143.3	159.7	178.3	0	0	0	0	108.3	C139	C137-C139 PolarHBondContact SG-N 2.94Å
138	K	25.1	Very low	25.3	Very low	196 Å²	196	139.7 Å²	139.7	85%	0.852	76%	0.757	S	S	*	*			trans	-124.9	94.6	146.2	-88	-173.5	176.1	179.7	0	107.8
139	C	23.8	Very low	25.4	Very low	89 Å²	89	139.7 Å²	139.7	60%	0.601	76%	0.757	S	S	*	*			trans	19.3	154.4	136	54.6	0	0	0	0	119.4	C137	C137-C139 PolarHBondContact SG-N 2.94Å
140	D	23.9	Very low	24.9	Very low	152 Å²	152	140 Å²	140	81%	0.813	76%	0.761	S	S	*	*			cis	-178.9	133.4	-17.5	-100.3	-45	0	0	0	104.3
141	S	25.7	Very low	25.1	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	76%	0.762	S	S	*	*	S	Bend	trans	-162.6	101.5	137.8	-143.5	0	0	0	0	111.1
142	H	27.6	Very low	25.4	Very low	174 Å²	174	141.7 Å²	141.7	81%	0.806	77%	0.77	S	S	*	*			trans	79.6	94.1	155.7	-56.2	119.3	0	0	0	121
143	R	23.3	Very low	25.8	Very low	215 Å²	215	144.6 Å²	144.6	81%	0.811	78%	0.777	S	S	*	*			trans	-29	148.5	142.2	-80.5	179.2	165.7	-170.2	-2.6	114
144	M	24.2	Very low	26.1	Very low	165 Å²	165	144.9 Å²	144.9	81%	0.813	78%	0.782	S	S	*	*				-157.2	150.3	64.1	-80.2	-72.6	-108.5	0	0	113.9
145	N	25.1	Very low	26.2	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	78%	0.776	S	S	*	*			trans	-64.3	151	-171.7	-69.9	-58.2	0	0	0	117
146	L	28.7	Very low	26.6	Very low	160 Å²	160	142.5 Å²	142.5	84%	0.838	78%	0.779	S	S	*	*			trans	-73.9	152.6	148.3	-89	115.8	0	0	0	110.3
147	P	27.6	Very low	26.9	Very low	117 Å²	117	148.1 Å²	148.1	76%	0.76	78%	0.783	S	S	*	*				-141.8	131	109.1	26.7	-7.6	0	0	0	115.5
148	V	24.9	Very low	27.3	Very low	127 Å²	127	151.1 Å²	151.1	77%	0.77	78%	0.783	S	S	*	*			trans	40.7	117.7	130.1	-172.5	0	0	0	0	120
149	A	25.1	Very low	27.5	Very low	86 Å²	86	151.3 Å²	151.3	71%	0.711	78%	0.78	S	S	*	*			trans	57.9	106.5	143.7	0	0	0	0	0	119.4
150	S	26	Very low	27.8	Very low	120 Å²	120	151.3 Å²	151.3	84%	0.839	78%	0.781	S	S	*	*			trans	169.3	36.2	132.8	45.2	0	0	0	0	115.9
151	Q	27.2	Very low	28.1	Very low	181 Å²	181	153.9 Å²	153.9	85%	0.846	78%	0.779	S	S	*	*			trans	-137.9	83.7	165.3	-69.5	-161.5	6.3	0	0	112.7	I153	Q151-I153 VanDerWaalsContact C-N 3.32Å
152	L	29.9	Very low	28.4	Very low	169 Å²	169	156.5 Å²	156.5	89%	0.885	78%	0.778	S	S	*	*			trans	-95	52.3	165.8	-107.1	168.3	0	0	0	110
153	I	32	Very low	28.5	Very low	148 Å²	148	155.4 Å²	155.4	76%	0.759	77%	0.771	S	S	*	*			trans	-145.5	97.2	159.9	-56.7	-177.8	0	0	0	105.8	Q151	Q151-I153 VanDerWaalsContact C-N 3.32Å
154	I	31.7	Very low	28.9	Very low	159 Å²	159	149 Å²	149	82%	0.815	76%	0.756	S	S	*	*	S	Bend	trans	154.5	73	160.7	-72.8	150.7	0	0	0	105.9
155	S	29.3	Very low	29.4	Very low	81 Å²	81	147.3 Å²	147.3	57%	0.566	75%	0.746	S	S	*	*			trans	-150	8.3	162	69.5	0	0	0	0	115	R157 K158	S155-R157 PolarHBondContact O-N 3.42Å; S155-K158 PolarHBondContact O-N 3.33Å
156	E	30.3	Very low	29.6	Very low	189 Å²	189	149.4 Å²	149.4	88%	0.883	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-7	168.6	-75.6	-165.4	144.6	0	0	114
157	R	29.1	Very low	29.8	Very low	230 Å²	230	147.7 Å²	147.7	87%	0.868	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-3.2	173.1	-72.3	-174.9	-179.8	179.3	0.6	115.2	S155	S155-R157 PolarHBondContact O-N 3.42Å
158	K	32.2	Very low	30	Very low	175 Å²	175	146.6 Å²	146.6	76%	0.761	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-14.3	173.9	-88.2	-175.4	177.9	177.3	0	114.4	S155	S155-K158 PolarHBondContact O-N 3.33Å
159	Y	30.2	Very low	30.4	Very low	199 Å²	199	144.6 Å²	144.6	78%	0.78	71%	0.709	S	S	*	*	H	α-helix	trans	-82.7	-25.4	176.1	-149	-98.7	0	0	0	113.4
160	S	29.5	Very low	30.7	Very low	89 Å²	89	143.8 Å²	143.8	62%	0.622	70%	0.698	S	S	*	*	H	α-helix	trans	-80.3	-23.6	177.3	-146.9	0	0	0	0	113.6	T164	S160-T164 PolarHBondContact O-OG1 3.45Å; S160-T164 VanDerWaalsContact O-OG1 3.06Å
161	R	31.1	Very low	31	Very low	206 Å²	206	144.2 Å²	144.2	78%	0.777	69%	0.687	S	S	*	*	H	α-helix	trans	-81.8	-26.3	179.1	-118.8	176.7	-177	168.8	0.1	114.4
162	K	31.4	Very low	31.3	Very low	156 Å²	156	142.9 Å²	142.9	68%	0.678	68%	0.678	S	S	*	*	H	α-helix	trans	-84.2	-20	175.5	-90	-174.1	173.4	-175.1	0	114.3	Y166	K162-Y166 PolarHBondContact O-N 3.33Å; K162-Y166 VanDerWaalsContact O-N 3.11Å
163	K	29.6	Very low	31.4	Very low	151 Å²	151	140 Å²	140	66%	0.657	66%	0.663	S	S	*	*	H	α-helix	trans	-72.9	-33.6	174.1	-165.3	175.7	179.3	-178	0	111.6	M167	K163-M167 WeakPolarHBondContact O-CG 3.34Å; K163-M167 PolarHBondContact O-N 3.14Å; K163-M167 VanDerWaalsContact O-N 3.13Å
164	T	32.3	Very low	31.5	Very low	81 Å²	81	139.9 Å²	139.9	50%	0.497	66%	0.659	S	S	.	*	H	α-helix	trans	-74.2	-32	173.8	-16.6	0	0	0	0	112.5	S160 N168	S160-T164 PolarHBondContact O-OG1 3.45Å; S160-T164 VanDerWaalsContact O-OG1 3.06Å; T164-N168 VanDerWaalsContact O-CB 3.32Å; T164-N168 WeakPolarHBondContact O-CB 3.25Å; T164-N168 VanDerWaalsContact O-CG 3.24Å; T164-N168 PolarHBondContact O-N 2.82Å; T164-N168 PolarHBondContact O-ND2 2.79Å
165	E	33.5	Very low	31.7	Very low	130 Å²	130	137.6 Å²	137.6	61%	0.607	65%	0.648	S	S	*	*	H	α-helix	trans	-70.6	-33.9	172	-79.7	177.1	159.8	0	0	112.7	V169	E165-V169 WeakPolarHBondContact O-CG2 3.39Å; E165-V169 PolarHBondContact O-N 3.11Å
166	Y	31.1	Very low	31.7	Very low	184 Å²	184	138.4 Å²	138.4	72%	0.722	65%	0.646	S	S	*	*	H	α-helix	trans	-75.6	-32.6	177.1	-149.3	-92.4	0	0	0	112.8	K162	K162-Y166 PolarHBondContact O-N 3.33Å; K162-Y166 VanDerWaalsContact O-N 3.11Å
167	M	31.6	Very low	31.9	Very low	123 Å²	123	135.3 Å²	135.3	61%	0.606	63%	0.634	S	S	*	*	H	α-helix	trans	-76.5	-28.8	173.9	-70.2	-65.2	-69.1	0	0	113.1	K163 V169 C170 E171	K163-M167 WeakPolarHBondContact O-CG 3.34Å; K163-M167 PolarHBondContact O-N 3.14Å; K163-M167 VanDerWaalsContact O-N 3.13Å; M167-V169 VanDerWaalsContact C-N 3.35Å; M167-C170 PolarHBondContact O-N 2.94Å; M167-E171 PolarHBondContact O-N 3.27Å
168	N	33.1	Very low	32.2	Very low	94 Å²	94	131.8 Å²	131.8	50%	0.503	63%	0.625	S	S	.	*	H	α-helix	trans	-75.3	-18.9	174.4	-77.3	-7.9	0	0	0	113.9	T164 K172	T164-N168 VanDerWaalsContact O-CB 3.32Å; T164-N168 WeakPolarHBondContact O-CB 3.25Å; T164-N168 VanDerWaalsContact O-CG 3.24Å; T164-N168 PolarHBondContact O-N 2.82Å; T164-N168 PolarHBondContact O-ND2 2.79Å; N168-K172 PolarHBondContact O-N 3.13Å
169	V	33	Very low	32.1	Very low	85 Å²	85	129 Å²	129	52%	0.515	62%	0.615	S	S	.	*	H	α-helix	trans	-77.7	-31.5	172.9	171.4	0	0	0	0	111.3	E165 M167 L173	E165-V169 WeakPolarHBondContact O-CG2 3.39Å; E165-V169 PolarHBondContact O-N 3.11Å; M167-V169 VanDerWaalsContact C-N 3.35Å; V169-L173 HydrophobicContact CG1-CD1 4.17Å; V169-L173 PolarHBondContact O-N 3.36Å
170	C	29.8	Very low	32.3	Very low	69 Å²	69	127.9 Å²	127.9	47%	0.466	62%	0.617	S	S	.	*	H	α-helix	trans	-73.3	-30.6	174.6	-73.2	0	0	0	0	113.3	M167 Q174	M167-C170 PolarHBondContact O-N 2.94Å; C170-Q174 PolarHBondContact O-N 3.42Å
171	E	33.8	Very low	32.5	Very low	129 Å²	129	132.6 Å²	132.6	60%	0.603	63%	0.626	S	S	*	*	H	α-helix	trans	-77.6	-28	171.9	-86	-175.6	156.9	0	0	113.3	M167 Q174 L175	M167-E171 PolarHBondContact O-N 3.27Å; E171-Q174 PolarHBondContact O-N 3.28Å; E171-L175 PolarHBondContact O-N 3.13Å
172	K	33.3	Very low	32.5	Very low	154 Å²	154	126 Å²	126	67%	0.67	62%	0.616	S	S	*	*	H	α-helix	trans	-72	-36.2	174.2	-131.5	170.6	-177.2	179.5	0	112.6	N168 Q174 L175 D176	N168-K172 PolarHBondContact O-N 3.13Å; K172-Q174 VanDerWaalsContact C-N 3.31Å; K172-Q174 PolarHBondContact O-N 3.2Å; K172-L175 PolarHBondContact O-N 3.11Å; K172-D176 PolarHBondContact O-N 3.39Å
173	L	32.1	Very low	32.5	Very low	107 Å²	107	125.7 Å²	125.7	56%	0.56	62%	0.616	S	S	*	*	H	α-helix	trans	-73.6	-17.4	173.9	-79.3	162.8	0	0	0	114	V169	V169-L173 HydrophobicContact CG1-CD1 4.17Å; V169-L173 PolarHBondContact O-N 3.36Å
174	Q	34	Very low	32.5	Very low	146 Å²	146	122.9 Å²	122.9	68%	0.682	62%	0.621	S	S	*	*	H	α-helix	trans	-87.8	-8.9	170	-78.7	-171.3	-21.5	0	0	113.8	C170 E171 K172	C170-Q174 PolarHBondContact O-N 3.42Å; E171-Q174 PolarHBondContact O-N 3.28Å; K172-Q174 VanDerWaalsContact C-N 3.31Å; K172-Q174 PolarHBondContact O-N 3.2Å
175	L	34.8	Very low	32.6	Very low	112 Å²	112	127.7 Å²	127.7	59%	0.586	64%	0.638	S	S	*	*	H	α-helix	trans	-94.4	-28	171.8	-77.3	166.4	0	0	0	112.9	E171 K172 I177 K178 H179	E171-L175 PolarHBondContact O-N 3.13Å; K172-L175 PolarHBondContact O-N 3.11Å; L175-I177 VanDerWaalsContact C-N 3.32Å; L175-I177 PolarHBondContact O-N 3.35Å; L175-K178 PolarHBondContact O-N 3.25Å; L175-K178 VanDerWaalsContact O-N 3.08Å; L175-H179 PolarHBondContact O-N 3.4Å; L175-H179 VanDerWaalsContact O-N 3.08Å
176	D	30.8	Very low	32.3	Very low	97 Å²	97	129 Å²	129	52%	0.519	64%	0.644	S	S	.	*	H	α-helix	trans	-70.6	-27	175.1	-69.7	-23.1	0	0	0	112.9	K172 K178 H179 E180	K172-D176 PolarHBondContact O-N 3.39Å; D176-K178 PolarHBondContact O-N 3.18Å; D176-H179 PolarHBondContact O-N 2.91Å; D176-E180 PolarHBondContact O-N 3.1Å
177	I	34.3	Very low	32	Very low	124 Å²	124	128.1 Å²	128.1	64%	0.636	64%	0.644	S	S	*	*	H	α-helix	trans	-73.4	-14.6	171.7	-63.8	173.7	0	0	0	112.2	L175	L175-I177 VanDerWaalsContact C-N 3.32Å; L175-I177 PolarHBondContact O-N 3.35Å
178	K	34.3	Very low	31.7	Very low	157 Å²	157	126.5 Å²	126.5	68%	0.683	65%	0.645	S	S	*	*	H	α-helix	trans	-96.8	-20.4	171.3	-76.2	-176.1	177	178.8	0	113.1	L175 D176	L175-K178 PolarHBondContact O-N 3.25Å; L175-K178 VanDerWaalsContact O-N 3.08Å; D176-K178 PolarHBondContact O-N 3.18Å
179	H	31.7	Very low	31.3	Very low	116 Å²	116	131.6 Å²	131.6	54%	0.537	66%	0.659	S	S	.	*	H	α-helix	trans	-82.6	-28.4	178.2	-150.9	-94.4	0	0	0	113.2	L175 D176 K181 A182 H183	L175-H179 PolarHBondContact O-N 3.4Å; L175-H179 VanDerWaalsContact O-N 3.08Å; D176-H179 PolarHBondContact O-N 2.91Å; H179-K181 PolarHBondContact O-N 3.46Å; H179-A182 PolarHBondContact O-N 3.07Å; H179-H183 AromaticContact CE1-CD2 3.53Å; H179-H183 AromaticContact CE1-NE2 3.36Å; H179-H183 PolarHBondContact CE1-NE2 3.37Å; H179-H183 AromaticContact ND1-CD2 3.76Å
180	E	32.8	Very low	31	Very low	176 Å²	176	134.5 Å²	134.5	82%	0.822	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-7.2	170.4	-82.4	-172.1	155.3	0	0	114.1	D176	D176-E180 PolarHBondContact O-N 3.1Å
181	K	34.9	Very low	30.9	Very low	187 Å²	187	139.3 Å²	139.3	81%	0.813	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	4.9	171.5	-83.6	-175.4	176.1	179	0	114.3	H179	H179-K181 PolarHBondContact O-N 3.46Å
182	A	31.2	Very low	30.4	Very low	69 Å²	69	136.3 Å²	136.3	57%	0.57	69%	0.685	S	S	*	*	S	Bend	trans	-122	4.5	-179.1	0	0	0	0	0	114.8	H179	H179-A182 PolarHBondContact O-N 3.07Å
183	H	29.8	Very low	30.1	Very low	148 Å²	148	137.2 Å²	137.2	69%	0.685	69%	0.692	S	S	*	*	S	Bend	trans	-117.4	37	177.3	-84.1	-68.1	0	0	0	113.9	H179	H179-H183 AromaticContact CE1-CD2 3.53Å; H179-H183 AromaticContact CE1-NE2 3.36Å; H179-H183 PolarHBondContact CE1-NE2 3.37Å; H179-H183 AromaticContact ND1-CD2 3.76Å
184	A	30.1	Very low	29.9	Very low	93 Å²	93	139.4 Å²	139.4	77%	0.769	70%	0.704	S	S	*	*	S	Bend	trans	-118.6	25.6	170.8	0	0	0	0	0	113.1
185	E	33.9	Very low	29.4	Very low	181 Å²	181	136.7 Å²	136.7	85%	0.846	71%	0.707	S	S	*	*			trans	-144.6	97.3	167	-69	-173.5	171.7	0	0	108.7
186	E	27.1	Very low	29	Very low	158 Å²	158	141.4 Å²	141.4	74%	0.738	72%	0.723	S	S	*	*			trans	169.2	123.8	136.1	-95.4	-170.7	-171.8	0	0	112.4
187	K	26.6	Very low	28.6	Very low	166 Å²	166	141.1 Å²	141.1	72%	0.722	73%	0.733	S	S	*	*			trans	77.5	103.3	155.2	-63.2	163	179.2	134.3	0	117.3
188	S	24.2	Very low	28.1	Very low	88 Å²	88	145.4 Å²	145.4	62%	0.615	75%	0.748	S	S	*	*				82.8	129.6	57	73.4	0	0	0	0	115.1
189	Y	25.6	Very low	27.5	Very low	202 Å²	202	142.5 Å²	142.5	79%	0.792	75%	0.747	S	S	*	*			trans	81.6	130.9	170.2	-57.3	-88.6	0	0	0	115.9
190	E	26.9	Very low	27	Very low	145 Å²	145	148 Å²	148	68%	0.678	77%	0.765	S	S	*	*			cis	-167.2	150.1	7.6	-110.7	178.5	-175.1	0	0	112.1
191	H	26.3	Very low	26.7	Very low	170 Å²	170	148.4 Å²	148.4	79%	0.787	76%	0.764	S	S	*	*			trans	49.9	133.9	154.5	-59	97.1	0	0	0	121.3
192	G	24.7	Very low	26	Very low	66 Å²	66	148.1 Å²	148.1	68%	0.68	76%	0.763	S	S	*	*			cis	-176.9	154.5	6.6	0	0	0	0	0	112.9
193	E	26.9	Very low	25.7	Very low	174 Å²	174	151 Å²	151	81%	0.813	77%	0.769	S	S	*	*			trans	62.1	98.3	145.6	-54	-173.1	164.5	0	0	120.8
194	N	26.2	Very low	25.5	Very low	153 Å²	153	152.4 Å²	152.4	82%	0.818	78%	0.776	S	S	*	*				171	138.1	95	-90.9	-50.7	0	0	0	113.8
195	A	24.6	Very low	25.2	Very low	89 Å²	89	156.8 Å²	156.8	74%	0.736	78%	0.78	S	S	*	*			trans	82.5	90.6	155.1	0	0	0	0	0	120.6
196	K	26.8	Very low	24.6	Very low	211 Å²	211	157.3 Å²	157.3	92%	0.917	77%	0.774	S	S	*	*			trans	62.7	95.7	132.8	-65.3	-179.4	-179.2	178.4	0	118.6
197	A	21.8	Very low	24.3	Very low	90 Å²	90	157.8 Å²	157.8	74%	0.744	77%	0.774	S	S	*	*			trans	-69.6	143.4	159	0	0	0	0	0	112.2
198	F	23	Very low	24.1	Very low	215 Å²	215	160.7 Å²	160.7	94%	0.943	79%	0.787	S	S	*	*			trans	-139.1	124.9	130.8	-101.9	-81.3	0	0	0	109.5
199	S	22.9	Very low	23.9	Very low	95 Å²	95	165.2 Å²	165.2	66%	0.664	80%	0.798	S	S	*	*			trans	-65.7	149.6	-178.2	54.7	0	0	0	0	113.6
200	Y	21.8	Very low	23.8	Very low	232 Å²	232	162.2 Å²	162.2	91%	0.91	80%	0.801	S	S	*	*			trans	-114.7	120	154.7	-148.8	-95.9	0	0	0	110.7
201	K	25	Very low	23.5	Very low	184 Å²	184	163.1 Å²	163.1	80%	0.8	81%	0.809	S	S	*	*			trans	-77.2	150.4	174.5	-82.8	179	175	176.6	0	110.5
202	K	21.4	Very low	23.4	Very low	181 Å²	181	164 Å²	164	79%	0.787	81%	0.814	S	S	*	*			trans	-75.5	142.8	174.2	-151.1	-174.8	174.8	179.7	0	111.1
203	D	25.2	Very low	23.3	Very low	131 Å²	131	169.2 Å²	169.2	70%	0.701	82%	0.821	S	S	*	*			trans	52.1	105.3	160	-57.4	-29.1	0	0	0	119
204	Q	24.6	Very low	23	Very low	177 Å²	177	166.2 Å²	166.2	83%	0.827	82%	0.819	S	S	*	*			trans	-153.4	120.8	135.8	-72.6	-149.3	-13.5	0	0	111.6
205	H	22.8	Very low	22.8	Very low	184 Å²	184	168.5 Å²	168.5	85%	0.852	82%	0.822	S	S	*	*			trans	-51.5	131.9	152.7	-86.1	-92.7	0	0	0	110.4
206	W	21.5	Very low	22.7	Very low	193 Å²	193	173.4 Å²	173.4	73%	0.731	83%	0.829	S	S	*	*			trans	-164.9	120.6	144.5	-84.7	97.7	0	0	0	108.9
207	K	21.8	Very low	22.5	Very low	168 Å²	168	169.4 Å²	169.4	73%	0.73	83%	0.827	S	S	*	*				48.1	112	110.3	-64.7	-164.4	-168.5	161.8	0	114.9	Q209	K207-Q209 PolarHBondContact O-N 3.44Å
208	F	21.2	Very low	22.6	Very low	226 Å²	226	172.2 Å²	172.2	99%	0.991	83%	0.829	S	S	*	*			trans	-69.3	123.1	166.1	-89.9	-92.5	0	0	0	110.2
209	Q	21.9	Very low	22.7	Very low	183 Å²	183	165.9 Å²	165.9	86%	0.855	82%	0.824	S	S	*	*			trans	-121.6	125.6	165.4	-136	172.4	0.1	0	0	106.1	K207	K207-Q209 PolarHBondContact O-N 3.44Å
210	T	21.8	Very low	22.8	Very low	139 Å²	139	166.9 Å²	166.9	85%	0.853	83%	0.831	S	S	*	*			trans	-71.6	134.6	178.9	42.3	0	0	0	0	111
211	L	21.9	Very low	23	Very low	164 Å²	164	159.4 Å²	159.4	86%	0.859	83%	0.825	S	S	*	*			trans	-137	114.9	163	-100.7	152.4	0	0	0	108.4
212	E	22.6	Very low	22.9	Very low	188 Å²	188	160.4 Å²	160.4	88%	0.879	83%	0.832	S	S	*	*			trans	-71	129.9	166.9	-66.9	171.4	142.2	0	0	108.7
213	E	23.1	Very low	23	Very low	177 Å²	177	155.2 Å²	155.2	83%	0.827	83%	0.831	S	S	*	*			trans	-132.5	118.7	157.6	-77.9	-172.8	166	0	0	109.3
214	S	21.3	Very low	22.9	Very low	110 Å²	110	157.2 Å²	157.2	77%	0.769	84%	0.84	S	S	*	*			trans	-72.4	137.2	177	45.1	0	0	0	0	112.3
215	F	22	Very low	22.9	Very low	202 Å²	202	159.7 Å²	159.7	89%	0.886	84%	0.844	S	S	*	*			trans	-123.8	117	155.6	-93.4	-88.4	0	0	0	109.5
216	E	22.4	Very low	23	Very low	191 Å²	191	157.8 Å²	157.8	89%	0.893	84%	0.84	S	S	*	*			trans	-71.4	136.3	167.5	-68.1	175.4	151.5	0	0	109.1
217	C	23.3	Very low	23.2	Very low	127 Å²	127	157.6 Å²	157.6	86%	0.858	84%	0.844	S	S	*	*			trans	-111.9	123.3	169.6	-146.7	0	0	0	0	108.4
218	D	23	Very low	23.3	Very low	149 Å²	149	154.4 Å²	154.4	80%	0.797	84%	0.839	S	S	*	*			trans	-70.5	133.1	-178.7	47.5	-20.4	0	0	0	112.1
219	G	24.4	Very low	23.5	Very low	82 Å²	82	150.2 Å²	150.2	85%	0.845	83%	0.826	S	S	*	*			trans	-76.5	126.3	-173.4	0	0	0	0	0	113.7
220	S	26.7	Very low	23.6	Very low	116 Å²	116	146.6 Å²	146.6	81%	0.811	82%	0.819	S	S	*	*			trans	-158.9	101	142.2	61.9	0	0	0	0	111.8
221	G	24.3	Very low	23.8	Very low	75 Å²	75	145.7 Å²	145.7	77%	0.773	81%	0.808	S	S	*	*				64.9	111.1	129.7	0	0	0	0	0	120.7
222	Q	23.7	Very low	24	Very low	205 Å²	205	142 Å²	142	96%	0.958	79%	0.792	S	S	*	*			trans	90.2	97.5	146.1	-61.4	-177.1	-23	0	0	118.9
223	G	22.9	Very low	24.2	Very low	73 Å²	73	138.5 Å²	138.5	75%	0.753	79%	0.786	S	S	*	*				113.2	90.1	122.1	0	0	0	0	0	116.8
224	L	24.5	Very low	24.5	Very low	172 Å²	172	137.8 Å²	137.8	90%	0.901	78%	0.783	S	S	*	*				161.3	132.7	118.7	-84	161.6	0	0	0	108.9	D226	L224-D226 PolarHBondContact O-N 3.15Å
225	Y	24.9	Very low	24.9	Very low	230 Å²	230	136 Å²	136	90%	0.902	77%	0.77	S	S	*	*			trans	-68.1	100.3	-174.5	-69.9	-98.7	0	0	0	110.7
226	D	24.6	Very low	25.4	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	77%	0.765	S	S	*	*			trans	-115.4	93.8	160.3	-146.1	-11.3	0	0	0	108.4	L224 T228	L224-D226 PolarHBondContact O-N 3.15Å; D226-T228 PolarHBondContact O-N 2.89Å; D226-T228 VanDerWaalsContact O-N 3.09Å
227	K	25.7	Very low	25.7	Very low	188 Å²	188	133 Å²	133	82%	0.817	76%	0.76	S	S	*	*			trans	-81.2	73.4	169.3	-80.3	-175.5	178	178	0	108.1	I229	K227-I229 PolarHBondContact O-N 2.92Å; K227-I229 VanDerWaalsContact O-N 3.13Å
228	T	23.9	Very low	25.9	Very low	102 Å²	102	132 Å²	132	63%	0.626	75%	0.75	S	S	*	*			trans	-70.3	101.5	157.1	-36.6	0	0	0	0	106.8	D226 C230	D226-T228 PolarHBondContact O-N 2.89Å; D226-T228 VanDerWaalsContact O-N 3.09Å; T228-C230 PolarHBondContact O-N 3.46Å
229	I	25.7	Very low	26.3	Very low	138 Å²	138	128.3 Å²	128.3	71%	0.708	75%	0.747	S	S	*	*			trans	-67.2	101.3	169.4	-63.6	175.1	0	0	0	106.4	K227 I231	K227-I229 PolarHBondContact O-N 2.92Å; K227-I229 VanDerWaalsContact O-N 3.13Å; I229-I231 VanDerWaalsContact C-N 3.34Å; I229-I231 HydrophobicContact CG2-CG1 3.97Å; I229-I231 PolarHBondContact O-N 3.16Å
230	C	22.9	Very low	26.3	Very low	107 Å²	107	132.6 Å²	132.6	72%	0.723	75%	0.745	S	S	*	*			trans	-66	93.7	167.8	-68.3	0	0	0	0	108.6	T228 T232	T228-C230 PolarHBondContact O-N 3.46Å; C230-T232 PolarHBondContact O-N 3.37Å; C230-T232 VanDerWaalsContact O-N 3.09Å
231	I	25.9	Very low	26.7	Very low	120 Å²	120	137.1 Å²	137.1	62%	0.615	75%	0.751	S	S	*	*			trans	-74.9	96	166.6	-55.5	177.1	0	0	0	106.4	I229	I229-I231 VanDerWaalsContact C-N 3.34Å; I229-I231 HydrophobicContact CG2-CG1 3.97Å; I229-I231 PolarHBondContact O-N 3.16Å
232	T	26.5	Very low	26.7	Very low	86 Å²	86	138.8 Å²	138.8	53%	0.528	75%	0.75	S	S	.	*			trans	-70.5	144.4	165.2	50.6	0	0	0	0	108.8	C230 Q234 S235	C230-T232 PolarHBondContact O-N 3.37Å; C230-T232 VanDerWaalsContact O-N 3.09Å; T232-Q234 PolarHBondContact O-N 3.12Å; T232-S235 PolarHBondContact O-N 3.33Å; T232-S235 PolarHBondContact O-OG 3.2Å
233	P	27.3	Very low	26.7	Very low	115 Å²	115	134.5 Å²	134.5	75%	0.747	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-53.8	-19.9	-175.1	-26.8	33.9	0	0	0	115
234	Q	29	Very low	27.1	Very low	162 Å²	162	139.9 Å²	139.9	76%	0.757	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-76.5	-19.7	-177.2	-140	141.4	-24	0	0	114.1	T232 F236	T232-Q234 PolarHBondContact O-N 3.12Å; Q234-F236 VanDerWaalsContact C-N 3.34Å
235	S	30.5	Very low	27.2	Very low	71 Å²	71	138.4 Å²	138.4	50%	0.497	74%	0.737	S	S	.	*	G	3₁₀ helix	trans	-82.8	-8.3	177.4	46.9	0	0	0	0	114	T232	T232-S235 PolarHBondContact O-N 3.33Å; T232-S235 PolarHBondContact O-OG 3.2Å
236	F	31.4	Very low	27.3	Very low	180 Å²	180	134.5 Å²	134.5	79%	0.789	73%	0.732	S	S	*	*	S	Bend	trans	-91.1	-19.5	174.4	-145.8	-92.9	0	0	0	113	Q234	Q234-F236 VanDerWaalsContact C-N 3.34Å
237	L	29	Very low	27.6	Very low	152 Å²	152	135.1 Å²	135.1	80%	0.796	73%	0.73	S	S	*	*	S	Bend	trans	-87.7	-12.1	-173.5	-76.5	168.8	0	0	0	114.7
238	T	28.2	Very low	27.7	Very low	105 Å²	105	133.9 Å²	133.9	64%	0.644	73%	0.725	S	S	*	*	S	Bend	trans	-100.4	-1	-178.4	51.2	0	0	0	0	114.9	E240	T238-E240 PolarHBondContact O-N 3.32Å; T238-E240 VanDerWaalsContact O-N 3.15Å
239	G	31.4	Very low	27.9	Very low	71 Å²	71	139.8 Å²	139.8	73%	0.732	74%	0.736	S	S	*	*			trans	57.7	33.3	169.2	0	0	0	0	0	114.8
240	E	24.3	Very low	28.2	Very low	173 Å²	173	141.8 Å²	141.8	81%	0.808	74%	0.74	S	S	*	*			trans	-88.7	114.6	172.3	-77	-167.6	154.2	0	0	111	T238 S242	T238-E240 PolarHBondContact O-N 3.32Å; T238-E240 VanDerWaalsContact O-N 3.15Å; E240-S242 PolarHBondContact O-N 2.87Å
241	K	35.5	Very low	28.4	Very low	211 Å²	211	143.5 Å²	143.5	92%	0.917	74%	0.742	S	S	*	*			trans	-66.1	108.4	168.3	-70.3	176.2	178	173.8	0	109.7
242	S	23.8	Very low	28.5	Very low	110 Å²	110	145.4 Å²	145.4	77%	0.769	75%	0.746	S	S	*	*			trans	-162.2	143.6	150.8	80.6	0	0	0	0	107.9	E240	E240-S242 PolarHBondContact O-N 2.87Å
243	C	23.5	Very low	28.5	Very low	115 Å²	115	146.6 Å²	146.6	78%	0.777	75%	0.749	S	S	*	*			cis	-155.3	173.4	5	-146.3	0	0	0	0	108.1
244	K	31.2	Very low	28.6	Very low	185 Å²	185	149.7 Å²	149.7	80%	0.804	75%	0.751	S	S	*	*			trans	-55.5	131.2	-175.5	-58.5	157	178	177.2	0	112.7
245	D	25.6	Very low	28.6	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	74%	0.742	S	S	*	*			trans	-170.2	87.7	141.7	-93.8	-22	0	0	0	109.6	E247	D245-E247 PolarHBondContact O-N 3.25Å; D245-E247 VanDerWaalsContact O-N 3.11Å
246	D	28.5	Very low	28.7	Very low	148 Å²	148	148.8 Å²	148.8	79%	0.791	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	8	176.8	-97	-38.8	0	0	0	113.6
247	E	29.5	Very low	28.7	Very low	157 Å²	157	145.5 Å²	145.5	73%	0.734	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-24.2	-172.8	-157.5	158.7	-161.3	0	0	113.7	D245 R249	D245-E247 PolarHBondContact O-N 3.25Å; D245-E247 VanDerWaalsContact O-N 3.11Å; E247-R249 VanDerWaalsContact C-N 3.29Å; E247-R249 PolarHBondContact O-N 3.35Å
248	F	27.8	Very low	28.6	Very low	161 Å²	161	144.3 Å²	144.3	71%	0.706	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-74	-21.7	177.5	-147.2	-94.2	0	0	0	113.2	K250 F252	F248-K250 VanDerWaalsContact C-N 3.28Å; F248-K250 PolarHBondContact O-N 3.13Å; F248-F252 HydrophobicContact CE1-CD2 4Å; F248-F252 AromaticContact CE1-CE2 3.86Å; F248-F252 HydrophobicContact CE1-CE2 3.86Å; F248-F252 HydrophobicContact CZ-CE2 4.2Å
249	R	28.9	Very low	28.6	Very low	227 Å²	227	144 Å²	144	86%	0.857	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-79.8	-6	-176.8	-162.2	171.5	161.3	131	0.4	113.6	E247	E247-R249 VanDerWaalsContact C-N 3.29Å; E247-R249 PolarHBondContact O-N 3.35Å
250	K	30.7	Very low	28.5	Very low	179 Å²	179	147.7 Å²	147.7	78%	0.778	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-104.3	-13	-178.7	-79.2	-178.9	178.1	172.4	0	115.2	F248	F248-K250 VanDerWaalsContact C-N 3.28Å; F248-K250 PolarHBondContact O-N 3.13Å
251	N	27.5	Very low	28.6	Very low	144 Å²	144	145.8 Å²	145.8	77%	0.77	71%	0.712	S	S	*	*	S	Bend	trans	-113.5	6.5	-174.8	-86	-8.1	0	0	0	116.3	D253	N251-D253 PolarHBondContact O-N 3.25Å
252	F	28.1	Very low	28.2	Very low	159 Å²	159	144.8 Å²	144.8	70%	0.697	70%	0.702	S	S	*	*			trans	-91.7	76.8	166.3	-105.1	-89.9	0	0	0	110.3	F248	F248-F252 HydrophobicContact CE1-CD2 4Å; F248-F252 AromaticContact CE1-CE2 3.86Å; F248-F252 HydrophobicContact CE1-CE2 3.86Å; F248-F252 HydrophobicContact CZ-CE2 4.2Å
253	D	27.2	Very low	28.5	Very low	112 Å²	112	144.4 Å²	144.4	60%	0.599	70%	0.696	S	S	*	*			trans	-73.2	136.5	179.5	-135.3	-12.5	0	0	0	110.7	N251 I255 T256	N251-D253 PolarHBondContact O-N 3.25Å; D253-I255 PolarHBondContact O-N 3.35Å; D253-T256 PolarHBondContact O-N 3.48Å
254	K	29.3	Very low	29	Very low	180 Å²	180	145.5 Å²	145.5	78%	0.783	69%	0.694	S	S	*	*	H	α-helix	trans	-56.6	-14.5	-172.9	-76.2	176.1	175.4	177.5	0	114.5	F258	K254-F258 VanDerWaalsContact O-CB 3.32Å; K254-F258 WeakPolarHBondContact O-CB 3.31Å; K254-F258 PolarHBondContact O-N 3.29Å; K254-F258 VanDerWaalsContact O-N 3.13Å
255	I	29.4	Very low	28.9	Very low	112 Å²	112	142.8 Å²	142.8	57%	0.574	69%	0.693	S	S	*	*	H	α-helix	trans	-73.4	-36.7	-175.3	-62.7	173.4	0	0	0	111	D253 N259	D253-I255 PolarHBondContact O-N 3.35Å; I255-N259 WeakPolarHBondContact O-CB 3.46Å; I255-N259 VanDerWaalsContact O-CG 3.24Å; I255-N259 PolarHBondContact O-N 2.86Å; I255-N259 VanDerWaalsContact O-N 3.12Å; I255-N259 PolarHBondContact O-ND2 3.1Å
256	T	31	Very low	29.1	Very low	102 Å²	102	146.6 Å²	146.6	63%	0.626	70%	0.696	S	S	*	*	H	α-helix	trans	-74.3	-37.1	-179.4	-39.3	0	0	0	0	111.6	D253 N259 H260	D253-T256 PolarHBondContact O-N 3.48Å; T256-N259 PolarHBondContact O-N 3.4Å; T256-H260 PolarHBondContact O-N 3.4Å
257	L	31.7	Very low	29.2	Very low	111 Å²	111	143.3 Å²	143.3	58%	0.581	70%	0.698	S	S	*	*	H	α-helix	trans	-70.6	-36.1	176.1	-162.7	75.5	0	0	0	112.1	N259 H260 M261	L257-N259 VanDerWaalsContact C-N 3.33Å; L257-H260 PolarHBondContact O-N 3.4Å; L257-M261 PolarHBondContact O-N 3.1Å; L257-M261 VanDerWaalsContact O-N 3.15Å
258	F	26.9	Very low	29.3	Very low	126 Å²	126	144.1 Å²	144.1	55%	0.553	70%	0.699	S	S	*	*	H	α-helix	trans	-69.4	-32.4	176.1	-161.4	-94.9	0	0	0	112.3	K254 R262	K254-F258 VanDerWaalsContact O-CB 3.32Å; K254-F258 WeakPolarHBondContact O-CB 3.31Å; K254-F258 PolarHBondContact O-N 3.29Å; K254-F258 VanDerWaalsContact O-N 3.13Å; F258-R262 PolarHBondContact O-N 2.8Å
259	N	28.1	Very low	29.3	Very low	99 Å²	99	142.6 Å²	142.6	53%	0.529	71%	0.707	S	S	.	*	H	α-helix	trans	-73.4	-30.6	176	-72.8	-21.1	0	0	0	112.7	I255 T256 L257	I255-N259 WeakPolarHBondContact O-CB 3.46Å; I255-N259 VanDerWaalsContact O-CG 3.24Å; I255-N259 PolarHBondContact O-N 2.86Å; I255-N259 VanDerWaalsContact O-N 3.12Å; I255-N259 PolarHBondContact O-ND2 3.1Å; T256-N259 PolarHBondContact O-N 3.4Å; L257-N259 VanDerWaalsContact C-N 3.33Å
260	H	29.9	Very low	29.5	Very low	148 Å²	148	136.3 Å²	136.3	69%	0.685	70%	0.697	S	S	*	*	H	α-helix	trans	-76.3	-31.9	174	-160.8	74.7	0	0	0	113.1	T256 L257 R262 T263	T256-H260 PolarHBondContact O-N 3.4Å; L257-H260 PolarHBondContact O-N 3.4Å; H260-R262 VanDerWaalsContact C-N 3.35Å; H260-T263 PolarHBondContact O-OG1 3.33Å
261	M	27.2	Very low	29.4	Very low	133 Å²	133	134.5 Å²	134.5	66%	0.655	70%	0.696	S	S	*	*	H	α-helix	trans	-76.9	-15.8	175.1	-73.2	-160.4	-57.3	0	0	114.3	L257 T263	L257-M261 PolarHBondContact O-N 3.1Å; L257-M261 VanDerWaalsContact O-N 3.15Å; M261-T263 VanDerWaalsContact C-N 3.27Å; M261-T263 PolarHBondContact O-N 2.94Å
262	R	26	Very low	29.5	Very low	191 Å²	191	134.1 Å²	134.1	72%	0.721	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-9.7	176.5	-102.4	-178.7	81.2	117.3	-6.1	114.1	F258 H260	F258-R262 PolarHBondContact O-N 2.8Å; H260-R262 VanDerWaalsContact C-N 3.35Å
263	T	30.9	Very low	29.8	Very low	102 Å²	102	130.8 Å²	130.8	63%	0.626	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-1.2	-177.7	39.8	0	0	0	0	115.3	H260 M261	H260-T263 PolarHBondContact O-OG1 3.33Å; M261-T263 VanDerWaalsContact C-N 3.27Å; M261-T263 PolarHBondContact O-N 2.94Å
264	D	32.6	Very low	30.1	Very low	138 Å²	138	134.4 Å²	134.4	74%	0.738	70%	0.696	S	S	*	*	S	Bend	trans	-126.4	49	-175.5	-139.3	0.9	0	0	0	116.1
265	T	29.3	Very low	30.4	Very low	128 Å²	128	135.7 Å²	135.7	79%	0.785	70%	0.698	S	S	*	*	S	Bend	trans	-120.8	11.7	158.5	48.1	0	0	0	0	113.2
266	R	30.7	Very low	30.5	Very low	222 Å²	222	132.8 Å²	132.8	84%	0.838	70%	0.695	S	S	*	*	S	Bend	trans	-133.4	104.4	171.7	-75.4	-177.2	176.5	175.1	-0.1	108.7	K268	R266-K268 PolarHBondContact O-N 3.23Å
267	G	31.6	Very low	30.4	Very low	79 Å²	79	132.7 Å²	132.7	81%	0.814	69%	0.694	S	S	*	*			trans	-53	110.7	172.9	0	0	0	0	0	111.5
268	K	29.7	Very low	30.3	Very low	174 Å²	174	132.2 Å²	132.2	76%	0.757	70%	0.7	S	S	*	*			trans	-174.8	98.3	137.6	-96.3	-178.7	-177.3	-169.6	0	105.8	R266 S270	R266-K268 PolarHBondContact O-N 3.23Å; K268-S270 PolarHBondContact O-N 3.13Å
269	C	28.3	Very low	30.5	Very low	129 Å²	129	131.5 Å²	131.5	87%	0.872	71%	0.71	S	S	*	*			trans	-75.7	105.4	160.4	-171.3	0	0	0	0	105.5
270	S	32.5	Very low	30.6	Very low	94 Å²	94	132.1 Å²	132.1	66%	0.657	71%	0.713	S	S	*	*			trans	-129.5	21.8	172.3	42.3	0	0	0	0	112.1	K268	K268-S270 PolarHBondContact O-N 3.13Å
271	D	28.9	Very low	30.6	Very low	141 Å²	141	134.1 Å²	134.1	75%	0.754	72%	0.72	S	S	*	*			trans	-114.1	110.8	175.4	-60.4	-28.7	0	0	0	108.6
272	L	31.1	Very low	30.6	Very low	137 Å²	137	132.4 Å²	132.4	72%	0.717	72%	0.717	S	S	*	*			trans	-57.7	134.1	156	-73.2	160.8	0	0	0	107
273	N	33.5	Very low	30.7	Very low	89 Å²	89	128 Å²	128	48%	0.476	71%	0.711	S	S	.	*			trans	-64	157.6	163.4	53.4	9.5	0	0	0	109.4	Y275 G276 T277	N273-Y275 PolarHBondContact O-N 3.43Å; N273-G276 PolarHBondContact O-N 2.94Å; N273-G276 PolarHBondContact OD1-N 3.04Å; N273-T277 PolarHBondContact OD1-N 2.88Å; N273-T277 PolarHBondContact OD1-O 3.36Å
274	E	34.4	Very low	30.6	Very low	188 Å²	188	125.5 Å²	125.5	88%	0.879	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	3.8	-178.2	-83	-177.6	150	0	0	115.2
275	Y	34.3	Very low	30.4	Very low	207 Å²	207	122.6 Å²	122.6	81%	0.812	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	12.1	175.3	-59.3	-78.3	0	0	0	114.2	N273 T277	N273-Y275 PolarHBondContact O-N 3.43Å; Y275-T277 PolarHBondContact O-N 3.15Å
276	G	32	Very low	30.3	Very low	50 Å²	50	122.1 Å²	122.1	52%	0.515	68%	0.677	S	S	.	*			trans	65.4	40.6	161.8	0	0	0	0	0	116.7	N273	N273-G276 PolarHBondContact O-N 2.94Å; N273-G276 PolarHBondContact OD1-N 3.04Å
277	T	29.2	Very low	30.2	Very low	100 Å²	100	120 Å²	120	61%	0.613	67%	0.67	S	S	*	*			trans	-126	128.1	170.5	38.9	0	0	0	0	111.9	N273 Y275	N273-T277 PolarHBondContact OD1-N 2.88Å; N273-T277 PolarHBondContact OD1-O 3.36Å; Y275-T277 PolarHBondContact O-N 3.15Å
278	S	29.8	Very low	30.1	Very low	101 Å²	101	121 Å²	121	71%	0.706	66%	0.657	S	S	*	*			trans	-74.5	128.2	-178.5	60.2	0	0	0	0	111.4	D280	S278-D280 PolarHBondContact O-N 3.12Å; S278-D280 VanDerWaalsContact O-N 3.15Å
279	C	29.8	Very low	30	Very low	111 Å²	111	118.6 Å²	118.6	75%	0.75	65%	0.646	S	S	*	*			trans	-69.4	106.3	173.8	-175.8	0	0	0	0	110.2
280	D	30.8	Very low	30	Very low	112 Å²	112	116.6 Å²	116.6	60%	0.599	63%	0.63	S	S	*	*			trans	-77.4	135.2	171.3	-109.2	-23.4	0	0	0	110.5	S278 T282 T283	S278-D280 PolarHBondContact O-N 3.12Å; S278-D280 VanDerWaalsContact O-N 3.15Å; D280-T282 PolarHBondContact O-N 3.29Å; D280-T283 PolarHBondContact O-N 3.09Å
281	K	29.7	Very low	29.9	Very low	190 Å²	190	117.4 Å²	117.4	83%	0.826	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-12.4	-171.8	-72.3	175.9	178.8	172.3	0	114.7	V285	K281-V285 WeakPolarHBondContact O-CG2 3.37Å
282	T	28.3	Very low	29.8	Very low	98 Å²	98	115 Å²	115	60%	0.601	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-34.3	179.8	23.6	0	0	0	0	113	D280 A284 V285 E286	D280-T282 PolarHBondContact O-N 3.29Å; T282-A284 PolarHBondContact O-N 2.89Å; T282-V285 PolarHBondContact O-N 3.04Å; T282-E286 PolarHBondContact O-N 2.94Å
283	T	27.3	Very low	29.5	Very low	98 Å²	98	111.3 Å²	111.3	60%	0.601	60%	0.598	S	S	*	*	H	α-helix	trans	-72.9	-31.5	-176.1	-35.4	0	0	0	0	112.6	D280 V285 Y287	D280-T283 PolarHBondContact O-N 3.09Å; T283-V285 VanDerWaalsContact C-N 3.34Å; T283-Y287 PolarHBondContact O-N 2.91Å
284	A	29	Very low	29.2	Very low	49 Å²	49	113 Å²	113	41%	0.405	60%	0.604	S	S	.	*	H	α-helix	trans	-72.6	-25	176	0	0	0	0	0	113.4	T282 N288	T282-A284 PolarHBondContact O-N 2.89Å; A284-N288 PolarHBondContact O-N 3.23Å; A284-N288 PolarHBondContact O-ND2 3.18Å
285	V	27.9	Very low	28.9	Very low	77 Å²	77	107.3 Å²	107.3	47%	0.467	58%	0.583	S	S	.	*	H	α-helix	trans	-79.9	-37.2	178.6	174.8	0	0	0	0	110.9	K281 T282 T283 K289	K281-V285 WeakPolarHBondContact O-CG2 3.37Å; T282-V285 PolarHBondContact O-N 3.04Å; T283-V285 VanDerWaalsContact C-N 3.34Å; V285-K289 WeakPolarHBondContact O-CG 3.39Å; V285-K289 PolarHBondContact O-N 2.84Å
286	E	26.7	Very low	28.4	Very low	119 Å²	119	102.6 Å²	102.6	56%	0.556	57%	0.568	S	S	*	*	H	α-helix	trans	-65.9	-42.8	174.6	-74.9	-77	124.2	0	0	111.6	T282 N288 K289 V290	T282-E286 PolarHBondContact O-N 2.94Å; E286-N288 PolarHBondContact O-N 3.43Å; E286-K289 PolarHBondContact O-N 3.1Å; E286-V290 WeakPolarHBondContact O-CG2 3.36Å; E286-V290 PolarHBondContact O-N 3.1Å; E286-V290 VanDerWaalsContact O-N 3.15Å
287	Y	29.7	Very low	28.1	Very low	177 Å²	177	109 Å²	109	69%	0.694	58%	0.577	S	S	*	*	H	α-helix	trans	-64.4	-39.2	178.6	-163.8	-93.5	0	0	0	113.1	T283 V290 H291	T283-Y287 PolarHBondContact O-N 2.91Å; Y287-V290 PolarHBondContact O-N 3.06Å; Y287-H291 PolarHBondContact O-N 3.2Å; Y287-H291 VanDerWaalsContact O-N 3.13Å
288	N	28.9	Very low	28	Very low	99 Å²	99	111.3 Å²	111.3	53%	0.529	58%	0.582	S	S	.	*	H	α-helix	trans	-68.4	-33.6	175.8	-81.3	-51.9	0	0	0	112.7	A284 E286 M292	A284-N288 PolarHBondContact O-N 3.23Å; A284-N288 PolarHBondContact O-ND2 3.18Å; E286-N288 PolarHBondContact O-N 3.43Å; N288-M292 WeakPolarHBondContact O-CB 3.4Å; N288-M292 VanDerWaalsContact O-CG 3.29Å; N288-M292 WeakPolarHBondContact O-CG 3.32Å; N288-M292 PolarHBondContact O-N 3.11Å
289	K	28.2	Very low	27.8	Very low	124 Å²	124	109.9 Å²	109.9	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-67.5	-40.9	175.6	-76.2	174.6	-176.9	174	0	112.3	V285 E286 A293	V285-K289 WeakPolarHBondContact O-CG 3.39Å; V285-K289 PolarHBondContact O-N 2.84Å; E286-K289 PolarHBondContact O-N 3.1Å; K289-A293 WeakPolarHBondContact O-CB 3.38Å; K289-A293 PolarHBondContact O-N 3.44Å
290	V	28.8	Very low	27.6	Very low	88 Å²	88	111.6 Å²	111.6	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-67.6	-40.8	178.2	177.5	0	0	0	0	111	E286 Y287 A293 M294	E286-V290 WeakPolarHBondContact O-CG2 3.36Å; E286-V290 PolarHBondContact O-N 3.1Å; E286-V290 VanDerWaalsContact O-N 3.15Å; Y287-V290 PolarHBondContact O-N 3.06Å; V290-A293 PolarHBondContact O-N 2.92Å; V290-M294 WeakPolarHBondContact O-CG 3.22Å; V290-M294 PolarHBondContact O-N 3.04Å; V290-M294 VanDerWaalsContact O-N 3.1Å
291	H	29.5	Very low	27.4	Very low	111 Å²	111	114 Å²	114	51%	0.514	58%	0.58	S	S	.	*	H	α-helix	trans	-68.7	-38	177.1	-161.3	-64.1	0	0	0	112.8	Y287 M294 T295	Y287-H291 PolarHBondContact O-N 3.2Å; Y287-H291 VanDerWaalsContact O-N 3.13Å; H291-M294 PolarHBondContact O-N 3.04Å; H291-T295 PolarHBondContact O-N 3.16Å; H291-T295 VanDerWaalsContact O-N 3.16Å; H291-T295 PolarHBondContact O-OG1 2.74Å; H291-T295 VanDerWaalsContact O-OG1 3.13Å
292	M	26.8	Very low	27.2	Very low	89 Å²	89	114.5 Å²	114.5	44%	0.438	58%	0.577	S	S	.	*	H	α-helix	trans	-66.4	-38.2	174.6	-76	-178.4	77.1	0	0	112.1	N288 T295 H296	N288-M292 WeakPolarHBondContact O-CB 3.4Å; N288-M292 VanDerWaalsContact O-CG 3.29Å; N288-M292 WeakPolarHBondContact O-CG 3.32Å; N288-M292 PolarHBondContact O-N 3.11Å; M292-T295 WeakPolarHBondContact CA-OG1 3.46Å; M292-T295 PolarHBondContact O-N 3.14Å; M292-T295 PolarHBondContact O-OG1 3.39Å; M292-H296 WeakPolarHBondContact O-CB 3.35Å; M292-H296 PolarHBondContact O-N 3.27Å
293	A	25.9	Very low	27.2	Very low	61 Å²	61	113.5 Å²	113.5	50%	0.504	59%	0.586	S	S	.	*	H	α-helix	trans	-65.2	-40.3	176.7	0	0	0	0	0	112.3	K289 V290 H296 Y297	K289-A293 WeakPolarHBondContact O-CB 3.38Å; K289-A293 PolarHBondContact O-N 3.44Å; V290-A293 PolarHBondContact O-N 2.92Å; A293-H296 PolarHBondContact O-N 3.41Å; A293-Y297 PolarHBondContact O-N 3.11Å; A293-Y297 VanDerWaalsContact O-N 3.11Å
294	M	26.1	Very low	27.2	Very low	124 Å²	124	114.8 Å²	114.8	61%	0.611	59%	0.588	S	S	*	*	H	α-helix	trans	-64.1	-42	174.8	-74.7	177.4	56.2	0	0	112.5	V290 H291 E298	V290-M294 WeakPolarHBondContact O-CG 3.22Å; V290-M294 PolarHBondContact O-N 3.04Å; V290-M294 VanDerWaalsContact O-N 3.1Å; H291-M294 PolarHBondContact O-N 3.04Å; M294-E298 PolarHBondContact O-N 2.79Å
295	T	27.9	Very low	27	Very low	68 Å²	68	119.6 Å²	119.6	42%	0.417	61%	0.607	S	S	.	*	H	α-helix	trans	-70.1	-32	177.8	48.6	0	0	0	0	113.2	H291 M292 C299	H291-T295 PolarHBondContact O-N 3.16Å; H291-T295 VanDerWaalsContact O-N 3.16Å; H291-T295 PolarHBondContact O-OG1 2.74Å; H291-T295 VanDerWaalsContact O-OG1 3.13Å; M292-T295 WeakPolarHBondContact CA-OG1 3.46Å; M292-T295 PolarHBondContact O-N 3.14Å; M292-T295 PolarHBondContact O-OG1 3.39Å; T295-C299 VanDerWaalsContact O-CB 3.28Å; T295-C299 WeakPolarHBondContact O-CB 3.45Å; T295-C299 PolarHBondContact O-N 3.4Å
296	H	24.9	Very low	26.8	Very low	108 Å²	108	123.1 Å²	123.1	50%	0.5	62%	0.616	S	S	.	*	H	α-helix	trans	-74.6	-35.2	177.9	-98.1	-83.6	0	0	0	113	M292 A293 C299 N300	M292-H296 WeakPolarHBondContact O-CB 3.35Å; M292-H296 PolarHBondContact O-N 3.27Å; A293-H296 PolarHBondContact O-N 3.41Å; H296-C299 PolarHBondContact O-N 2.82Å; H296-N300 PolarHBondContact O-N 2.88Å; H296-N300 VanDerWaalsContact O-N 3.12Å
297	Y	25	Very low	27	Very low	184 Å²	184	123.3 Å²	123.3	72%	0.722	63%	0.63	S	S	*	*	H	α-helix	trans	-72.4	-35.2	178.8	-136.7	-88.1	0	0	0	112.1	A293	A293-Y297 PolarHBondContact O-N 3.11Å; A293-Y297 VanDerWaalsContact O-N 3.11Å
298	E	27	Very low	27.1	Very low	150 Å²	150	124 Å²	124	70%	0.701	63%	0.632	S	S	*	*	H	α-helix	trans	-71.7	-28	172.6	-71.4	-169.9	155.4	0	0	113.3	M294	M294-E298 PolarHBondContact O-N 2.79Å
299	C	26.2	Very low	27	Very low	70 Å²	70	128.3 Å²	128.3	47%	0.473	65%	0.646	S	S	.	*	H	α-helix	trans	-82.1	-25.9	-179.4	-146.8	0	0	0	0	112.9	T295 H296	T295-C299 VanDerWaalsContact O-CB 3.28Å; T295-C299 WeakPolarHBondContact O-CB 3.45Å; T295-C299 PolarHBondContact O-N 3.4Å; H296-C299 PolarHBondContact O-N 2.82Å
300	N	25.7	Very low	26.9	Very low	147 Å²	147	126.4 Å²	126.4	79%	0.786	65%	0.648	S	S	*	*	H	α-helix	trans	-82.5	-18.4	179.1	-103.7	3.5	0	0	0	114.5	H296	H296-N300 PolarHBondContact O-N 2.88Å; H296-N300 VanDerWaalsContact O-N 3.12Å
301	E	24.9	Very low	26.8	Very low	163 Å²	163	125.3 Å²	125.3	76%	0.762	64%	0.643	S	S	*	*	H	α-helix	trans	-100.8	-9.8	175.9	-71.4	-144.8	152.1	0	0	114.7
302	R	27.3	Very low	26.8	Very low	201 Å²	201	123.3 Å²	123.3	76%	0.758	64%	0.635	S	S	*	*	S	Bend	trans	-126.8	91.9	176.5	-69.3	-176.7	-175.5	161.2	4.6	110.8	I304	R302-I304 PolarHBondContact O-N 2.8Å; R302-I304 VanDerWaalsContact O-N 3.1Å
303	G	26.6	Very low	26.8	Very low	77 Å²	77	122.2 Å²	122.2	79%	0.794	63%	0.634	S	S	*	*			trans	-45.3	118.7	161.4	0	0	0	0	0	109.8	N305	G303-N305 PolarHBondContact O-N 3.26Å
304	I	27.7	Very low	26.9	Very low	125 Å²	125	126 Å²	126	64%	0.641	64%	0.641	S	S	*	*			trans	-71.3	96	-170.1	-57.3	174.6	0	0	0	109.2	R302	R302-I304 PolarHBondContact O-N 2.8Å; R302-I304 VanDerWaalsContact O-N 3.1Å
305	N	24.5	Very low	27.1	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	63%	0.631	S	S	*	*			trans	-103.4	124.9	154.1	-99.7	-31.9	0	0	0	108	G303 S307	G303-N305 PolarHBondContact O-N 3.26Å; N305-S307 PolarHBondContact O-N 3.3Å; N305-S307 VanDerWaalsContact O-N 3.11Å
306	F	24.9	Very low	27.2	Very low	151 Å²	151	124.7 Å²	124.7	66%	0.662	64%	0.635	S	S	*	*			trans	-60.5	112.5	-175.2	-67.2	-84.6	0	0	0	111.5	L312	F306-L312 HydrophobicContact CB-CD1 4.01Å
307	S	31.1	Very low	27.5	Very low	123 Å²	123	128.8 Å²	128.8	86%	0.86	65%	0.646	S	S	*	*			trans	-91.8	9.9	-174.5	51.6	0	0	0	0	115.2	N305	N305-S307 PolarHBondContact O-N 3.3Å; N305-S307 VanDerWaalsContact O-N 3.11Å
308	R	31.4	Very low	27.8	Very low	192 Å²	192	121.6 Å²	121.6	73%	0.725	62%	0.621	S	S	*	*			trans	-133.8	139.7	174.1	-69.2	-172.5	179.1	-168	-0.9	112	S310 P311	R308-S310 PolarHBondContact O-N 2.8Å; R308-P311 VanDerWaalsContact O-CD 3.22Å; R308-P311 WeakPolarHBondContact O-CD 3.48Å
309	K	26.4	Very low	28.2	Very low	189 Å²	189	119.2 Å²	119.2	82%	0.822	61%	0.612	S	S	*	*	H	α-helix	trans	-72.8	-17.9	-174.5	-69.8	-177.7	176.8	-179.1	0	115.5	T313	K309-T313 PolarHBondContact O-OG1 3.49Å
310	S	27.4	Very low	28.6	Very low	84 Å²	84	120.2 Å²	120.2	59%	0.587	62%	0.616	S	S	*	*	H	α-helix	trans	-79	-34.4	-174	56.4	0	0	0	0	116.3	R308 T313	R308-S310 PolarHBondContact O-N 2.8Å; S310-T313 PolarHBondContact O-OG1 3.04Å
311	P	26.7	Very low	29	Very low	66 Å²	66	114 Å²	114	43%	0.429	59%	0.587	S	S	.	*	H	α-helix	trans	-75	-32.2	174.3	-15.9	33.2	0	0	0	112.2	R308 T313 Q314 S315	R308-P311 VanDerWaalsContact O-CD 3.22Å; R308-P311 WeakPolarHBondContact O-CD 3.48Å; P311-T313 VanDerWaalsContact C-N 3.34Å; P311-T313 PolarHBondContact O-N 3.33Å; P311-Q314 PolarHBondContact O-N 3.12Å; P311-S315 PolarHBondContact O-N 3.11Å; P311-S315 PolarHBondContact O-OG 3.41Å; P311-S315 VanDerWaalsContact O-OG 3.11Å
312	L	27.5	Very low	29.3	Very low	68 Å²	68	110.4 Å²	110.4	36%	0.356	57%	0.567	S	S	.	*	H	α-helix	trans	-59.3	-43.1	176.7	-104.5	146.7	0	0	0	112.2	F306 Q314 S315 Q316	F306-L312 HydrophobicContact CB-CD1 4.01Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 3.41Å; L312-S315 VanDerWaalsContact CA-OG 3.31Å; L312-S315 WeakPolarHBondContact CA-OG 3.38Å; L312-S315 PolarHBondContact O-N 2.94Å; L312-S315 PolarHBondContact O-OG 3.19Å; L312-Q316 WeakPolarHBondContact O-CB 3.38Å; L312-Q316 WeakPolarHBondContact O-CG 3.09Å; L312-Q316 PolarHBondContact O-N 3.45Å; L312-Q316 PolarHBondContact O-OE1 3.47Å
313	T	28.1	Very low	29.9	Very low	66 Å²	66	102 Å²	102	41%	0.405	54%	0.539	S	S	.	.	H	α-helix	trans	-68.5	-31	177.7	28.3	0	0	0	0	112.6	K309 S310 P311 R317	K309-T313 PolarHBondContact O-OG1 3.49Å; S310-T313 PolarHBondContact O-OG1 3.04Å; P311-T313 VanDerWaalsContact C-N 3.34Å; P311-T313 PolarHBondContact O-N 3.33Å; T313-R317 WeakPolarHBondContact O-CG 3.47Å; T313-R317 PolarHBondContact O-N 3Å
314	Q	28.2	Very low	30.5	Very low	142 Å²	142	100.4 Å²	100.4	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-76.9	-38	175.1	-166.7	150.7	7.5	0	0	112.2	P311 L312 R317 T318	P311-Q314 PolarHBondContact O-N 3.12Å; L312-Q314 VanDerWaalsContact C-N 3.33Å; L312-Q314 PolarHBondContact O-N 3.41Å; Q314-R317 PolarHBondContact O-N 3.24Å; Q314-T318 PolarHBondContact O-N 3.09Å; Q314-T318 PolarHBondContact O-OG1 2.78Å
315	S	29.9	Very low	30.8	Very low	56 Å²	56	98.2 Å²	98.2	39%	0.392	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-39.1	170.9	48.4	0	0	0	0	112.6	P311 L312 T318 I319	P311-S315 PolarHBondContact O-N 3.11Å; P311-S315 PolarHBondContact O-OG 3.41Å; P311-S315 VanDerWaalsContact O-OG 3.11Å; L312-S315 VanDerWaalsContact CA-OG 3.31Å; L312-S315 WeakPolarHBondContact CA-OG 3.38Å; L312-S315 PolarHBondContact O-N 2.94Å; L312-S315 PolarHBondContact O-OG 3.19Å; S315-T318 WeakPolarHBondContact O-CB 3.39Å; S315-T318 PolarHBondContact O-N 3.34Å; S315-T318 VanDerWaalsContact O-N 3.1Å; S315-I319 WeakPolarHBondContact O-CG1 3.4Å; S315-I319 PolarHBondContact O-N 2.92Å; S315-I319 VanDerWaalsContact O-N 3.09Å
316	Q	30.1	Very low	31.7	Very low	108 Å²	108	96.6 Å²	96.6	51%	0.505	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-41	176.8	-81.6	167.1	-43.6	0	0	112.5	L312 T318 I319 T320	L312-Q316 WeakPolarHBondContact O-CB 3.38Å; L312-Q316 WeakPolarHBondContact O-CG 3.09Å; L312-Q316 PolarHBondContact O-N 3.45Å; L312-Q316 PolarHBondContact O-OE1 3.47Å; Q316-T318 PolarHBondContact O-N 3.43Å; Q316-I319 PolarHBondContact O-N 3.27Å; Q316-T320 PolarHBondContact O-N 3.23Å; Q316-T320 VanDerWaalsContact O-N 3.15Å; Q316-T320 PolarHBondContact O-OG1 2.92Å
317	R	29.9	Very low	32.6	Very low	194 Å²	194	89.8 Å²	89.8	73%	0.732	46%	0.463	S	S	*	.	H	α-helix	trans	-63.3	-23.5	172.5	-72.4	178.7	-161.3	-176.4	4.7	113.7	T313 Q314 T320	T313-R317 WeakPolarHBondContact O-CG 3.47Å; T313-R317 PolarHBondContact O-N 3Å; Q314-R317 PolarHBondContact O-N 3.24Å; R317-T320 VanDerWaalsContact C-OG1 3.31Å; R317-T320 WeakPolarHBondContact CA-OG1 3.46Å; R317-T320 PolarHBondContact O-OG1 3.28Å
318	T	32.4	Very low	33.1	Very low	32 Å²	32	91.4 Å²	91.4	20%	0.196	46%	0.462	C	S	.	.	H	α-helix	trans	-81.6	-34.3	178.6	-46.7	0	0	0	0	111.1	Q314 S315 Q316 G321 W322	Q314-T318 PolarHBondContact O-N 3.09Å; Q314-T318 PolarHBondContact O-OG1 2.78Å; S315-T318 WeakPolarHBondContact O-CB 3.39Å; S315-T318 PolarHBondContact O-N 3.34Å; S315-T318 VanDerWaalsContact O-N 3.1Å; Q316-T318 PolarHBondContact O-N 3.43Å; T318-G321 PolarHBondContact O-N 3.24Å; T318-W322 HydrophobicContact CG2-CZ2 4.4Å; T318-W322 PolarHBondContact O-NE1 3.14Å
319	I	34.6	Very low	33.7	Very low	100 Å²	100	90.4 Å²	90.4	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-68.3	-40.2	174.6	-65.9	165.1	0	0	0	111.2	S315 Q316 G321 W322	S315-I319 WeakPolarHBondContact O-CG1 3.4Å; S315-I319 PolarHBondContact O-N 2.92Å; S315-I319 VanDerWaalsContact O-N 3.09Å; Q316-I319 PolarHBondContact O-N 3.27Å; I319-G321 PolarHBondContact O-N 3.48Å; I319-W322 WeakPolarHBondContact O-CB 3.35Å; I319-W322 PolarHBondContact O-N 3.17Å; I319-W322 VanDerWaalsContact O-N 3.07Å
320	T	36.3	Very low	34.5	Very low	91 Å²	91	83 Å²	83	56%	0.558	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.7	175.4	51.4	0	0	0	0	113.6	Q316 R317 W322 S323	Q316-T320 PolarHBondContact O-N 3.23Å; Q316-T320 VanDerWaalsContact O-N 3.15Å; Q316-T320 PolarHBondContact O-OG1 2.92Å; R317-T320 VanDerWaalsContact C-OG1 3.31Å; R317-T320 WeakPolarHBondContact CA-OG1 3.46Å; R317-T320 PolarHBondContact O-OG1 3.28Å; T320-W322 VanDerWaalsContact C-N 3.33Å; T320-S323 PolarHBondContact O-OG 3.1Å
321	G	32.4	Very low	35.3	Very low	17 Å²	17	88.1 Å²	88.1	18%	0.175	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1	173.8	0	0	0	0	0	114.6	T318 I319	T318-G321 PolarHBondContact O-N 3.24Å; I319-G321 PolarHBondContact O-N 3.48Å
322	W	32.7	Very low	36.2	Very low	88 Å²	88	88.1 Å²	88.1	33%	0.333	44%	0.443	S	S	.	.	S	Bend	trans	-103.5	-8.8	-178.6	-65.3	-8.7	0	0	0	113.8	T318 I319 T320	T318-W322 HydrophobicContact CG2-CZ2 4.4Å; T318-W322 PolarHBondContact O-NE1 3.14Å; I319-W322 WeakPolarHBondContact O-CB 3.35Å; I319-W322 PolarHBondContact O-N 3.17Å; I319-W322 VanDerWaalsContact O-N 3.07Å; T320-W322 VanDerWaalsContact C-N 3.33Å
323	S	39	Very low	36.8	Very low	25 Å²	25	88.2 Å²	88.2	18%	0.175	44%	0.444	C	S	.	.			trans	-85.2	124.5	174.2	37.2	0	0	0	0	110.5	T320 N333 F334	T320-S323 PolarHBondContact O-OG 3.1Å; S323-N333 WeakPolarHBondContact OG-CB 3.4Å; S323-F334 CarbonylContact C-O 3.6Å; S323-F334 VanDerWaalsContact CA-O 3.29Å; S323-F334 WeakPolarHBondContact CA-O 3.22Å
324	A	39.4	Very low	37.4	Very low	43 Å²	43	85.9 Å²	85.9	36%	0.355	43%	0.428	S	S	.	.			trans	-107.9	-6.3	-179	0	0	0	0	0	112.9	F334 P467	A324-F334 PolarHBondContact N-O 2.9Å; A324-P467 HydrophobicContact CB-CB 3.84Å
325	F	35	Very low	37.8	Very low	79 Å²	79	83 Å²	83	35%	0.346	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.5	-176.9	-60.7	-84.5	0	0	0	109.4	F334 H340	F325-F334 HydrophobicContact CB-CB 4.36Å; F325-F334 PolarHBondContact N-O 3.46Å; F325-F334 VanDerWaalsContact N-O 3.09Å; F325-F334 PolarHBondContact O-N 3.09Å; F325-H340 HydrophobicContact CB-CB 3.98Å
326	E	42.8	Very low	38.3	Very low	115 Å²	115	86.1 Å²	86.1	54%	0.537	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.6	-179.6	-167.9	164.1	-149.5	0	0	109.7	N333 H340	E326-N333 WeakPolarHBondContact CB-OD1 3.47Å; E326-N333 WeakPolarHBondContact CG-OD1 3.48Å; E326-H340 PolarHBondContact O-NE2 2.73Å
327	S	42.5	Very low	38.7	Very low	8 Å²	8	83.8 Å²	83.8	6%	0.056	43%	0.428	C	S	.	.			trans	-78	128.3	174	-178.2	0	0	0	0	110.1	K329 C330 E332	S327-K329 PolarHBondContact O-N 3.06Å; S327-C330 WeakPolarHBondContact CB-O 3.38Å; S327-C330 VanDerWaalsContact CB-SG 3.54Å; S327-C330 PolarHBondContact OG-SG 2.97Å; S327-C330 VanDerWaalsContact OG-SG 3.33Å; S327-E332 PolarHBondContact N-O 2.97Å
328	N	41.6	Very low	39.1	Very low	156 Å²	156	77.7 Å²	77.7	83%	0.834	42%	0.415	S	S	*	.	S	Bend	trans	-75.5	-1.6	-179.9	-64.7	-13.3	0	0	0	113.4
329	K	44.3	Very low	39.6	Very low	171 Å²	171	77.3 Å²	77.3	74%	0.743	42%	0.416	S	S	*	.	S	Bend	trans	-119.3	-16.2	-175	-73.7	-177.3	177.2	-179.1	0	113.9	S327 Q347	S327-K329 PolarHBondContact O-N 3.06Å; K329-Q347 VanDerWaalsContact CB-OE1 3.25Å
330	C	43.2	Very low	40.1	Very low	35 Å²	35	73.7 Å²	73.7	24%	0.236	40%	0.396	C	S	.	.	S	Bend	trans	-147.9	151	174.7	60.3	0	0	0	0	108.8	S327 E332 H343 Q347	S327-C330 WeakPolarHBondContact CB-O 3.38Å; S327-C330 VanDerWaalsContact CB-SG 3.54Å; S327-C330 PolarHBondContact OG-SG 2.97Å; S327-C330 VanDerWaalsContact OG-SG 3.33Å; C330-E332 PolarHBondContact O-N 3.13Å; C330-H343 PolarHBondContact SG-NE2 2.92Å; C330-Q347 PolarHBondContact SG-NE2 3.29Å
331	E	44.5	Very low	40.5	Very low	191 Å²	191	73.3 Å²	73.3	89%	0.893	39%	0.39	S	S	*	.	S	Bend	trans	-72.4	35.5	-176.8	-62.8	-176.8	164.1	0	0	113.6
332	E	45.5	Very low	41.3	Very low	65 Å²	65	74.1 Å²	74.1	30%	0.304	39%	0.392	S	S	.	.			trans	-98.8	142.6	-178	-67.1	-170	-167.2	0	0	112.9	S327 C330 F334 H343 T359	S327-E332 PolarHBondContact N-O 2.97Å; C330-E332 PolarHBondContact O-N 3.13Å; E332-F334 HydrophobicContact CB-CE2 3.92Å; E332-F334 HydrophobicContact CB-CZ 4.12Å; E332-H343 IonicContact OE2-CE1 3.31Å; E332-H343 PolarHBondContact OE2-CE1 3.22Å; E332-H343 IonicContact OE2-ND1 2.59Å; E332-H343 PolarHBondContact OE2-ND1 3.12Å; E332-H343 IonicContact OE2-NE2 3.88Å; E332-T359 VanDerWaalsContact OE1-CG2 3.23Å; E332-T359 WeakPolarHBondContact OE1-CG2 3.31Å; E332-T359 WeakPolarHBondContact OE2-CB 3.14Å; E332-T359 WeakPolarHBondContact OE2-CG2 3.47Å; E332-T359 PolarHBondContact OE2-OG1 3.49Å
333	N	41	Very low	42.2	Very low	71 Å²	71	70.4 Å²	70.4	38%	0.38	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	123	-161.4	-94	-48.3	0	0	0	111	S323 E326	S323-N333 WeakPolarHBondContact OG-CB 3.4Å; E326-N333 WeakPolarHBondContact CB-OD1 3.47Å; E326-N333 WeakPolarHBondContact CG-OD1 3.48Å
334	F	40.2	Very low	42.7	Very low	16 Å²	16	73.5 Å²	73.5	7%	0.07	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140	-170	-58.1	-93.2	0	0	0	112.7	S323 A324 F325 E332 A339 H340 H343 T359	S323-F334 CarbonylContact C-O 3.6Å; S323-F334 VanDerWaalsContact CA-O 3.29Å; S323-F334 WeakPolarHBondContact CA-O 3.22Å; A324-F334 PolarHBondContact N-O 2.9Å; F325-F334 HydrophobicContact CB-CB 4.36Å; F325-F334 PolarHBondContact N-O 3.46Å; F325-F334 VanDerWaalsContact N-O 3.09Å; F325-F334 PolarHBondContact O-N 3.09Å; E332-F334 HydrophobicContact CB-CE2 3.92Å; E332-F334 HydrophobicContact CB-CZ 4.12Å; F334-A339 HydrophobicContact CD1-CB 4.02Å; F334-H340 HydrophobicContact CB-CB 4.07Å; F334-H340 HydrophobicContact CD2-CB 4.05Å; F334-H340 AromaticContact CD2-CD2 3.57Å; F334-H340 AromaticContact CE2-CD2 3.95Å; F334-H340 HydrophobicContact CG-CB 4.04Å; F334-H343 HydrophobicContact CE1-CB 3.89Å; F334-H343 HydrophobicContact CE2-CB 4.22Å; F334-H343 AromaticContact CE2-CD2 3.87Å; F334-H343 AromaticContact CE2-CG 3.95Å; F334-H343 HydrophobicContact CZ-CB 3.53Å; F334-H343 AromaticContact CZ-CD2 3.68Å; F334-H343 AromaticContact CZ-CG 3.31Å; F334-H343 AromaticContact CZ-ND1 3.6Å; F334-T359 WeakPolarHBondContact CE1-OG1 3.48Å
335	S	37.3	Very low	43.3	Very low	83 Å²	83	76.2 Å²	76.2	58%	0.58	39%	0.394	S	S	*	.	S	Bend	trans	-83	-13.5	178.9	64.3	0	0	0	0	114.1
336	Q	40	Very low	44	Very low	120 Å²	120	73.5 Å²	73.5	56%	0.561	38%	0.383	S	S	*	.	S	Bend	trans	-138.8	140.4	179.8	-59.6	-172.4	16.8	0	0	111.2	S338 A339 H340	Q336-S338 VanDerWaalsContact C-N 3.27Å; Q336-S338 PolarHBondContact O-N 3.02Å; Q336-A339 PolarHBondContact O-N 3.28Å; Q336-H340 PolarHBondContact O-N 3.1Å
337	S	37.3	Very low	44.6	Very low	59 Å²	59	71.3 Å²	71.3	41%	0.413	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-31	179.2	54.8	0	0	0	0	113.2	A339 H340 I341	S337-A339 PolarHBondContact O-N 3.25Å; S337-H340 PolarHBondContact O-N 3.22Å; S337-I341 WeakPolarHBondContact O-CD1 3.47Å; S337-I341 VanDerWaalsContact O-CG1 3.24Å; S337-I341 WeakPolarHBondContact O-CG1 3.44Å; S337-I341 PolarHBondContact O-N 2.91Å
338	S	39.1	Very low	45	Very low	66 Å²	66	74.6 Å²	74.6	46%	0.462	40%	0.401	S	S	.	.	H	α-helix	trans	-64.7	-37.3	177.5	47.7	0	0	0	0	112.8	Q336 V342	Q336-S338 VanDerWaalsContact C-N 3.27Å; Q336-S338 PolarHBondContact O-N 3.02Å; S338-V342 VanDerWaalsContact O-CG2 3.3Å; S338-V342 WeakPolarHBondContact O-CG2 3.39Å; S338-V342 PolarHBondContact O-N 3.25Å
339	A	43.1	Very low	45.1	Very low	25 Å²	25	70.1 Å²	70.1	21%	0.207	39%	0.391	C	S	.	.	H	α-helix	trans	-71	-40.1	175.9	0	0	0	0	0	111.4	F334 Q336 S337 I341 V342 H343	F334-A339 HydrophobicContact CD1-CB 4.02Å; Q336-A339 PolarHBondContact O-N 3.28Å; S337-A339 PolarHBondContact O-N 3.25Å; A339-I341 PolarHBondContact O-N 3.26Å; A339-V342 PolarHBondContact O-N 3.21Å; A339-H343 PolarHBondContact O-N 3.5Å
340	H	44.5	Very low	44.9	Very low	23 Å²	23	66.6 Å²	66.6	11%	0.106	38%	0.381	C	S	.	.	H	α-helix	trans	-62.6	-41.4	175.5	-179.1	-117.5	0	0	0	113	F325 E326 F334 Q336 S337 V342 H343 Q344	F325-H340 HydrophobicContact CB-CB 3.98Å; E326-H340 PolarHBondContact O-NE2 2.73Å; F334-H340 HydrophobicContact CB-CB 4.07Å; F334-H340 HydrophobicContact CD2-CB 4.05Å; F334-H340 AromaticContact CD2-CD2 3.57Å; F334-H340 AromaticContact CE2-CD2 3.95Å; F334-H340 HydrophobicContact CG-CB 4.04Å; Q336-H340 PolarHBondContact O-N 3.1Å; S337-H340 PolarHBondContact O-N 3.22Å; H340-V342 VanDerWaalsContact C-N 3.32Å; H340-V342 PolarHBondContact O-N 3.2Å; H340-H343 PolarHBondContact O-N 2.88Å; H340-Q344 PolarHBondContact CE1-NE2 2.91Å; H340-Q344 WeakPolarHBondContact O-CG 3.34Å; H340-Q344 PolarHBondContact O-N 3.41Å
341	I	46	Very low	44.8	Very low	84 Å²	84	74.9 Å²	74.9	43%	0.431	41%	0.413	S	S	.	.	H	α-helix	trans	-64.3	-37.4	176.2	-69.5	164.7	0	0	0	111.4	S337 A339 K345	S337-I341 WeakPolarHBondContact O-CD1 3.47Å; S337-I341 VanDerWaalsContact O-CG1 3.24Å; S337-I341 WeakPolarHBondContact O-CG1 3.44Å; S337-I341 PolarHBondContact O-N 2.91Å; A339-I341 PolarHBondContact O-N 3.26Å; I341-K345 WeakPolarHBondContact O-CG 3.45Å; I341-K345 PolarHBondContact O-N 3.2Å
342	V	47.9	Very low	44.8	Very low	33 Å²	33	69.3 Å²	69.3	20%	0.2	39%	0.386	C	S	.	.	H	α-helix	trans	-66.4	-42.9	176.1	170	0	0	0	0	110.5	S338 A339 H340 K345 T346 A361	S338-V342 VanDerWaalsContact O-CG2 3.3Å; S338-V342 WeakPolarHBondContact O-CG2 3.39Å; S338-V342 PolarHBondContact O-N 3.25Å; A339-V342 PolarHBondContact O-N 3.21Å; H340-V342 VanDerWaalsContact C-N 3.32Å; H340-V342 PolarHBondContact O-N 3.2Å; V342-K345 PolarHBondContact O-N 3.21Å; V342-T346 PolarHBondContact O-N 3.3Å; V342-A361 HydrophobicContact CG1-CB 3.68Å; V342-A361 VanDerWaalsContact CG1-O 3.3Å; V342-A361 WeakPolarHBondContact CG1-O 3.41Å
343	H	52.7	Low	44.6	Very low	10 Å²	10	68.1 Å²	68.1	5%	0.046	39%	0.391	C	S	.	.	H	α-helix	trans	-65.1	-35.8	175.9	178.7	85.1	0	0	0	113.7	C330 E332 F334 A339 H340 K345 T346 Q347	C330-H343 PolarHBondContact SG-NE2 2.92Å; E332-H343 IonicContact OE2-CE1 3.31Å; E332-H343 PolarHBondContact OE2-CE1 3.22Å; E332-H343 IonicContact OE2-ND1 2.59Å; E332-H343 PolarHBondContact OE2-ND1 3.12Å; E332-H343 IonicContact OE2-NE2 3.88Å; F334-H343 HydrophobicContact CE1-CB 3.89Å; F334-H343 HydrophobicContact CE2-CB 4.22Å; F334-H343 AromaticContact CE2-CD2 3.87Å; F334-H343 AromaticContact CE2-CG 3.95Å; F334-H343 HydrophobicContact CZ-CB 3.53Å; F334-H343 AromaticContact CZ-CD2 3.68Å; F334-H343 AromaticContact CZ-CG 3.31Å; F334-H343 AromaticContact CZ-ND1 3.6Å; A339-H343 PolarHBondContact O-N 3.5Å; H340-H343 PolarHBondContact O-N 2.88Å; H343-K345 PolarHBondContact O-N 3.39Å; H343-T346 PolarHBondContact O-N 3.06Å; H343-T346 PolarHBondContact O-OG1 2.95Å; H343-Q347 PolarHBondContact NE2-NE2 3.22Å
344	Q	49.4	Very low	44.6	Very low	91 Å²	91	71.4 Å²	71.4	43%	0.425	40%	0.404	S	S	.	.	H	α-helix	trans	-65.9	-28.4	174.8	-76.1	-175	-13.9	0	0	112.9	H340	H340-Q344 PolarHBondContact CE1-NE2 2.91Å; H340-Q344 WeakPolarHBondContact O-CG 3.34Å; H340-Q344 PolarHBondContact O-N 3.41Å
345	K	50.7	Low	44.7	Very low	100 Å²	100	71.7 Å²	71.7	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-75.5	-30.8	179.3	-71.7	178.5	179.3	-172.6	0	112.9	I341 V342 H343 A348	I341-K345 WeakPolarHBondContact O-CG 3.45Å; I341-K345 PolarHBondContact O-N 3.2Å; V342-K345 PolarHBondContact O-N 3.21Å; H343-K345 PolarHBondContact O-N 3.39Å; K345-A348 WeakPolarHBondContact O-CB 3.26Å; K345-A348 PolarHBondContact O-N 3.46Å
346	T	51.3	Low	44.7	Very low	21 Å²	21	75.4 Å²	75.4	13%	0.129	42%	0.419	C	S	.	.	H	α-helix	trans	-67.7	-38.5	172.8	37.3	0	0	0	0	112.8	V342 H343 A348 G349 F352 A361	V342-T346 PolarHBondContact O-N 3.3Å; H343-T346 PolarHBondContact O-N 3.06Å; H343-T346 PolarHBondContact O-OG1 2.95Å; T346-A348 PolarHBondContact O-N 2.97Å; T346-A348 VanDerWaalsContact O-N 3.15Å; T346-G349 PolarHBondContact O-N 3.48Å; T346-F352 HydrophobicContact CG2-CD2 4.34Å; T346-A361 HydrophobicContact CG2-CB 3.03Å
347	Q	54.5	Low	44.6	Very low	69 Å²	69	76.4 Å²	76.4	32%	0.322	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.2	175.9	-62.8	-168.2	-3.9	0	0	113.8	K329 C330 H343 G349	K329-Q347 VanDerWaalsContact CB-OE1 3.25Å; C330-Q347 PolarHBondContact SG-NE2 3.29Å; H343-Q347 PolarHBondContact NE2-NE2 3.22Å; Q347-G349 VanDerWaalsContact C-N 3.29Å
348	A	50.9	Low	44.7	Very low	77 Å²	77	75 Å²	75	64%	0.636	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	1	176.9	0	0	0	0	0	113.6	K345 T346	K345-A348 WeakPolarHBondContact O-CB 3.26Å; K345-A348 PolarHBondContact O-N 3.46Å; T346-A348 PolarHBondContact O-N 2.97Å; T346-A348 VanDerWaalsContact O-N 3.15Å
349	G	42.8	Very low	44.7	Very low	62 Å²	62	74.5 Å²	74.5	64%	0.639	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	12.3	170.8	0	0	0	0	0	115.6	T346 Q347 K351	T346-G349 PolarHBondContact O-N 3.48Å; Q347-G349 VanDerWaalsContact C-N 3.29Å; G349-K351 PolarHBondContact O-N 3.31Å
350	D	41.2	Very low	44.6	Very low	97 Å²	97	76.1 Å²	76.1	52%	0.519	41%	0.413	S	S	.	.			trans	-70.2	123.7	169.1	-76.6	-23	0	0	0	109.4	F352	D350-F352 HydrophobicContact CB-CD2 3.74Å; D350-F352 HydrophobicContact CB-CE2 3.09Å; D350-F352 HydrophobicContact CB-CZ 3.65Å; D350-F352 WeakPolarHBondContact O-CD2 3.5Å; D350-F352 PolarHBondContact O-N 3.29Å
351	K	40.3	Very low	44.3	Very low	210 Å²	210	75.5 Å²	75.5	91%	0.913	41%	0.412	S	S	*	.			trans	-66.1	102.3	-175.6	-73.7	-176.2	178.8	179.6	0	111.4	G349	G349-K351 PolarHBondContact O-N 3.31Å
352	F	45.2	Very low	44.2	Very low	73 Å²	73	73.3 Å²	73.3	32%	0.32	40%	0.401	S	S	.	.			trans	-129.2	159.9	175.4	-59.2	-61	0	0	0	111.7	T346 D350 E354 Y363	T346-F352 HydrophobicContact CG2-CD2 4.34Å; D350-F352 HydrophobicContact CB-CD2 3.74Å; D350-F352 HydrophobicContact CB-CE2 3.09Å; D350-F352 HydrophobicContact CB-CZ 3.65Å; D350-F352 WeakPolarHBondContact O-CD2 3.5Å; D350-F352 PolarHBondContact O-N 3.29Å; F352-E354 PolarHBondContact O-N 3.39Å; F352-Y363 HydrophobicContact CE1-CD1 4.17Å; F352-Y363 HydrophobicContact CZ-CD1 4.24Å; F352-Y363 HydrophobicContact CZ-CE1 4.17Å
353	G	41.5	Very low	43.7	Very low	40 Å²	40	77.9 Å²	77.9	41%	0.412	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-77.5	115.9	173.5	0	0	0	0	0	110.5
354	E	41.1	Very low	43.1	Very low	140 Å²	140	82.7 Å²	82.7	65%	0.654	44%	0.438	S	S	*	.			trans	-84	142.3	176.7	-66.3	179.8	163.2	0	0	111	F352 F368	F352-E354 PolarHBondContact O-N 3.39Å; E354-F368 WeakPolarHBondContact O-CE2 3.49Å
355	H	41.3	Very low	42.4	Very low	22 Å²	22	87.1 Å²	87.1	10%	0.102	46%	0.456	C	S	.	.			trans	-104.9	126.3	174.5	-169.3	-105.5	0	0	0	110.3	E357 C358 F368 Q372 H375	H355-E357 VanDerWaalsContact C-N 3.32Å; H355-E357 PolarHBondContact O-N 3.19Å; H355-C358 PolarHBondContact ND1-SG 2.79Å; H355-F368 HydrophobicContact CB-CE2 4.04Å; H355-Q372 VanDerWaalsContact CD2-CG 3.47Å; H355-Q372 WeakPolarHBondContact CD2-CG 3.42Å; H355-Q372 WeakPolarHBondContact NE2-CG 3.41Å; H355-H375 AromaticContact CE1-CD2 3.62Å; H355-H375 AromaticContact CE1-CG 3.86Å; H355-H375 AromaticContact CE1-NE2 3.95Å
356	N	38.3	Very low	41.7	Very low	161 Å²	161	89 Å²	89	86%	0.861	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.2	-170	-66.7	-11.4	0	0	0	114.5
357	E	38.7	Very low	41.3	Very low	141 Å²	141	91 Å²	91	66%	0.659	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-9.9	-177.7	-59.9	-178.2	175.2	0	0	113.8	H355 H375	H355-E357 VanDerWaalsContact C-N 3.32Å; H355-E357 PolarHBondContact O-N 3.19Å; E357-H375 WeakPolarHBondContact OE2-CB 3.36Å; E357-H375 IonicContact OE2-CG 3.65Å; E357-H375 IonicContact OE2-ND1 3.42Å; E357-H375 PolarHBondContact OE2-ND1 3.39Å
358	C	37.7	Very low	40.8	Very low	30 Å²	30	89.8 Å²	89.8	20%	0.203	47%	0.473	C	S	.	.	S	Bend	trans	-157.4	138.4	173.6	58.3	0	0	0	0	110.4	H355 D360 H371 H375	H355-C358 PolarHBondContact ND1-SG 2.79Å; C358-D360 PolarHBondContact O-N 3.39Å; C358-H371 PolarHBondContact SG-NE2 2.89Å; C358-H375 PolarHBondContact SG-NE2 3.11Å
359	T	39.3	Very low	40.6	Very low	56 Å²	56	88.8 Å²	88.8	34%	0.344	46%	0.459	S	S	.	.			trans	-82.3	26.1	-168.2	54.5	0	0	0	0	115.1	E332 F334	E332-T359 VanDerWaalsContact OE1-CG2 3.23Å; E332-T359 WeakPolarHBondContact OE1-CG2 3.31Å; E332-T359 WeakPolarHBondContact OE2-CB 3.14Å; E332-T359 WeakPolarHBondContact OE2-CG2 3.47Å; E332-T359 PolarHBondContact OE2-OG1 3.49Å; F334-T359 WeakPolarHBondContact CE1-OG1 3.48Å
360	D	40.6	Very low	40.9	Very low	58 Å²	58	86.6 Å²	86.6	31%	0.31	44%	0.435	S	S	.	.			trans	-79.5	119.8	176.1	-85.6	-15.4	0	0	0	110.7	C358 H371	C358-D360 PolarHBondContact O-N 3.39Å; D360-H371 IonicContact OD2-CE1 3.52Å
361	A	39.7	Very low	41.1	Very low	10 Å²	10	82.8 Å²	82.8	8%	0.083	41%	0.414	C	S	.	.			trans	-86.8	125.7	172.6	0	0	0	0	0	110.9	V342 T346	V342-A361 HydrophobicContact CG1-CB 3.68Å; V342-A361 VanDerWaalsContact CG1-O 3.3Å; V342-A361 WeakPolarHBondContact CG1-O 3.41Å; T346-A361 HydrophobicContact CG2-CB 3.03Å
362	L	42.5	Very low	41.6	Very low	39 Å²	39	76.2 Å²	76.2	20%	0.204	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-111.6	132.5	-178.2	-65.6	167.1	0	0	0	111.3	Q364 D367 H371	L362-Q364 VanDerWaalsContact C-N 3.25Å; L362-Q364 PolarHBondContact O-N 3.42Å; L362-D367 HydrophobicContact CB-CB 4.35Å; L362-H371 HydrophobicContact CD1-CB 3.24Å; L362-H371 VanDerWaalsContact CD1-CG 3.47Å
363	Y	37.6	Very low	42.1	Very low	128 Å²	128	76.1 Å²	76.1	50%	0.502	38%	0.384	S	S	.	.	S	Bend	trans	-70.6	-13.5	-170.3	-74.2	-83.4	0	0	0	114.2	F352	F352-Y363 HydrophobicContact CE1-CD1 4.17Å; F352-Y363 HydrophobicContact CZ-CD1 4.24Å; F352-Y363 HydrophobicContact CZ-CE1 4.17Å
364	Q	40.7	Very low	42.4	Very low	112 Å²	112	78.9 Å²	78.9	52%	0.523	39%	0.389	S	S	.	.	S	Bend	trans	-147.5	151.6	-178.7	-62.9	-173	15.4	0	0	113.9	L362 L366 D367 F368	L362-Q364 VanDerWaalsContact C-N 3.25Å; L362-Q364 PolarHBondContact O-N 3.42Å; Q364-L366 VanDerWaalsContact C-N 3.29Å; Q364-L366 PolarHBondContact O-N 3.06Å; Q364-D367 PolarHBondContact O-N 3.07Å; Q364-D367 VanDerWaalsContact O-N 3.14Å; Q364-F368 PolarHBondContact O-N 3.23Å
365	K	34.4	Very low	42.6	Very low	184 Å²	184	75.9 Å²	75.9	80%	0.8	37%	0.374	S	S	*	.	H	α-helix	trans	-61.5	-29.4	-178.5	-162.9	173.9	-177	178.2	0	113.9	T369	K365-T369 PolarHBondContact O-N 3.34Å; K365-T369 PolarHBondContact O-OG1 3.41Å
366	L	36.6	Very low	42.8	Very low	139 Å²	139	78 Å²	78	73%	0.728	39%	0.389	S	S	*	.	H	α-helix	trans	-73.1	-38.4	175.3	-77.1	167	0	0	0	112.4	Q364 T369 A370	Q364-L366 VanDerWaalsContact C-N 3.29Å; Q364-L366 PolarHBondContact O-N 3.06Å; L366-T369 PolarHBondContact O-N 3.15Å; L366-A370 WeakPolarHBondContact O-CB 3.04Å; L366-A370 PolarHBondContact O-N 3Å; L366-A370 VanDerWaalsContact O-N 3.1Å
367	D	42.6	Very low	43	Very low	63 Å²	63	79.2 Å²	79.2	34%	0.337	39%	0.389	S	S	.	.	H	α-helix	trans	-70.5	-37.2	175.7	-80.1	-41	0	0	0	111.9	L362 Q364 A370 H371	L362-D367 HydrophobicContact CB-CB 4.35Å; Q364-D367 PolarHBondContact O-N 3.07Å; Q364-D367 VanDerWaalsContact O-N 3.14Å; D367-A370 PolarHBondContact O-N 3.12Å; D367-H371 VanDerWaalsContact O-CB 3.27Å; D367-H371 WeakPolarHBondContact O-CB 3.37Å; D367-H371 PolarHBondContact O-N 3.45Å
368	F	43.6	Very low	43.3	Very low	44 Å²	44	76.8 Å²	76.8	19%	0.193	38%	0.381	C	S	.	.	H	α-helix	trans	-57	-50.1	172.3	-175.9	-99.9	0	0	0	111.6	E354 H355 Q364 A370 H371 Q372	E354-F368 WeakPolarHBondContact O-CE2 3.49Å; H355-F368 HydrophobicContact CB-CE2 4.04Å; Q364-F368 PolarHBondContact O-N 3.23Å; F368-A370 VanDerWaalsContact C-N 3.28Å; F368-A370 PolarHBondContact O-N 3.27Å; F368-H371 PolarHBondContact O-N 2.87Å; F368-Q372 HydrophobicContact CD1-CG 4.34Å; F368-Q372 HydrophobicContact CE1-CG 4.11Å; F368-Q372 VanDerWaalsContact CE1-OE1 3.3Å; F368-Q372 HydrophobicContact CZ-CG 4.27Å; F368-Q372 VanDerWaalsContact CZ-NE2 3.31Å; F368-Q372 WeakPolarHBondContact O-CB 3.31Å; F368-Q372 WeakPolarHBondContact O-CG 3.14Å; F368-Q372 PolarHBondContact O-N 3.31Å
369	T	47.7	Very low	43.8	Very low	56 Å²	56	80.5 Å²	80.5	34%	0.344	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-30.2	178.5	-46	0	0	0	0	112.1	K365 L366 R373	K365-T369 PolarHBondContact O-N 3.34Å; K365-T369 PolarHBondContact O-OG1 3.41Å; L366-T369 PolarHBondContact O-N 3.15Å; T369-R373 WeakPolarHBondContact O-CD 3.39Å; T369-R373 VanDerWaalsContact O-CG 3.24Å; T369-R373 WeakPolarHBondContact O-CG 3.37Å; T369-R373 PolarHBondContact O-NE 3.08Å
370	A	47.5	Very low	44.4	Very low	15 Å²	15	83.9 Å²	83.9	12%	0.124	40%	0.404	C	S	.	.	H	α-helix	trans	-80.5	-27.3	177.7	0	0	0	0	0	113.4	L366 D367 F368	L366-A370 WeakPolarHBondContact O-CB 3.04Å; L366-A370 PolarHBondContact O-N 3Å; L366-A370 VanDerWaalsContact O-N 3.1Å; D367-A370 PolarHBondContact O-N 3.12Å; F368-A370 VanDerWaalsContact C-N 3.28Å; F368-A370 PolarHBondContact O-N 3.27Å
371	H	47.1	Very low	44.9	Very low	18 Å²	18	84.5 Å²	84.5	8%	0.083	40%	0.402	C	S	.	.	H	α-helix	trans	-81.4	-39.5	176.4	177.3	94.3	0	0	0	112.1	C358 D360 L362 D367 F368 R373 I374	C358-H371 PolarHBondContact SG-NE2 2.89Å; D360-H371 IonicContact OD2-CE1 3.52Å; L362-H371 HydrophobicContact CD1-CB 3.24Å; L362-H371 VanDerWaalsContact CD1-CG 3.47Å; D367-H371 VanDerWaalsContact O-CB 3.27Å; D367-H371 WeakPolarHBondContact O-CB 3.37Å; D367-H371 PolarHBondContact O-N 3.45Å; F368-H371 PolarHBondContact O-N 2.87Å; H371-R373 PolarHBondContact O-N 3.28Å; H371-R373 VanDerWaalsContact O-N 3.1Å; H371-I374 VanDerWaalsContact O-CB 3.27Å; H371-I374 WeakPolarHBondContact O-CB 3.37Å; H371-I374 WeakPolarHBondContact O-CG1 3.4Å; H371-I374 PolarHBondContact O-N 3.38Å
372	Q	50	Low	45.4	Very low	72 Å²	72	88 Å²	88	34%	0.336	42%	0.419	S	S	.	.	H	α-helix	trans	-52	-33.2	170.2	-78.7	-172.6	-45.5	0	0	112.6	H355 F368 I374 H375 T376	H355-Q372 VanDerWaalsContact CD2-CG 3.47Å; H355-Q372 WeakPolarHBondContact CD2-CG 3.42Å; H355-Q372 WeakPolarHBondContact NE2-CG 3.41Å; F368-Q372 HydrophobicContact CD1-CG 4.34Å; F368-Q372 HydrophobicContact CE1-CG 4.11Å; F368-Q372 VanDerWaalsContact CE1-OE1 3.3Å; F368-Q372 HydrophobicContact CZ-CG 4.27Å; F368-Q372 VanDerWaalsContact CZ-NE2 3.31Å; F368-Q372 WeakPolarHBondContact O-CB 3.31Å; F368-Q372 WeakPolarHBondContact O-CG 3.14Å; F368-Q372 PolarHBondContact O-N 3.31Å; Q372-I374 PolarHBondContact O-N 3.42Å; Q372-H375 PolarHBondContact O-N 3.01Å; Q372-T376 PolarHBondContact O-N 3.44Å
373	R	55.4	Low	45.6	Very low	70 Å²	70	86.5 Å²	86.5	26%	0.264	41%	0.412	S	S	.	.	H	α-helix	trans	-68.5	-8.1	176.6	-64.7	169.2	-153	-164	-0	114.9	T369 H371 H375 Y394	T369-R373 WeakPolarHBondContact O-CD 3.39Å; T369-R373 VanDerWaalsContact O-CG 3.24Å; T369-R373 WeakPolarHBondContact O-CG 3.37Å; T369-R373 PolarHBondContact O-NE 3.08Å; H371-R373 PolarHBondContact O-N 3.28Å; H371-R373 VanDerWaalsContact O-N 3.1Å; R373-H375 VanDerWaalsContact C-N 3.34Å; R373-Y394 VanDerWaalsContact O-CD1 3.22Å; R373-Y394 WeakPolarHBondContact O-CD1 3.46Å; R373-Y394 WeakPolarHBondContact O-CE1 3.47Å
374	I	49.1	Very low	46.3	Very low	99 Å²	99	86.3 Å²	86.3	51%	0.508	42%	0.42	S	S	.	.	H	α-helix	trans	-78.2	-28.3	171.8	-59.2	172.2	0	0	0	109.9	H371 Q372	H371-I374 VanDerWaalsContact O-CB 3.27Å; H371-I374 WeakPolarHBondContact O-CB 3.37Å; H371-I374 WeakPolarHBondContact O-CG1 3.4Å; H371-I374 PolarHBondContact O-N 3.38Å; Q372-I374 PolarHBondContact O-N 3.42Å
375	H	44.7	Very low	46.4	Very low	77 Å²	77	87 Å²	87	36%	0.356	42%	0.422	S	S	.	.	H	α-helix	trans	-91.3	-19.8	-177.4	-65.2	-92.1	0	0	0	113.1	H355 E357 C358 Q372 R373	H355-H375 AromaticContact CE1-CD2 3.62Å; H355-H375 AromaticContact CE1-CG 3.86Å; H355-H375 AromaticContact CE1-NE2 3.95Å; E357-H375 WeakPolarHBondContact OE2-CB 3.36Å; E357-H375 IonicContact OE2-CG 3.65Å; E357-H375 IonicContact OE2-ND1 3.42Å; E357-H375 PolarHBondContact OE2-ND1 3.39Å; C358-H375 PolarHBondContact SG-NE2 3.11Å; Q372-H375 PolarHBondContact O-N 3.01Å; R373-H375 VanDerWaalsContact C-N 3.34Å
376	T	44.7	Very low	46.8	Very low	65 Å²	65	86.3 Å²	86.3	40%	0.399	42%	0.422	S	S	.	.	S	Bend	trans	-93.6	136.8	169.8	64.3	0	0	0	0	109.9	Q372 D378	Q372-T376 PolarHBondContact O-N 3.44Å; T376-D378 PolarHBondContact O-N 2.97Å
377	E	42.8	Very low	47.2	Very low	188 Å²	188	83.9 Å²	83.9	88%	0.879	43%	0.43	S	S	*	.			trans	-67.2	0.7	179.6	-67.1	-166.5	153.2	0	0	113.8	K379	E377-K379 PolarHBondContact O-N 3.3Å; E377-K379 VanDerWaalsContact O-N 3.13Å
378	D	45.6	Very low	47.4	Very low	90 Å²	90	90.3 Å²	90.3	48%	0.481	46%	0.456	S	S	.	.			trans	-76.8	100.5	-174.6	-65.1	-36.3	0	0	0	112.7	T376 F380	T376-D378 PolarHBondContact O-N 2.97Å; D378-F380 HydrophobicContact CB-CD2 3.93Å; D378-F380 HydrophobicContact CB-CE1 4.11Å; D378-F380 HydrophobicContact CB-CE2 3.14Å; D378-F380 HydrophobicContact CB-CZ 3.25Å; D378-F380 WeakPolarHBondContact O-CD2 3.21Å; D378-F380 WeakPolarHBondContact O-CE2 3.3Å
379	K	48.7	Very low	47.4	Very low	107 Å²	107	89.8 Å²	89.8	47%	0.465	46%	0.457	S	S	.	.			trans	-92.6	105	171.6	-61	176.7	-174	166.4	0	110.1	E377 S392 Y394	E377-K379 PolarHBondContact O-N 3.3Å; E377-K379 VanDerWaalsContact O-N 3.13Å; K379-S392 WeakPolarHBondContact CB-OG 3.31Å; K379-S392 WeakPolarHBondContact CD-OG 3.49Å; K379-Y394 WeakPolarHBondContact CE-OH 2.98Å; K379-Y394 HydrophobicContact CG-CD1 4.33Å; K379-Y394 HydrophobicContact CG-CE1 3.7Å; K379-Y394 HydrophobicContact CG-CE2 4.29Å
380	F	51.3	Low	47.4	Very low	127 Å²	127	97.4 Å²	97.4	56%	0.557	48%	0.479	S	S	*	.			trans	-93.7	-25.1	-168	-67.5	-82.7	0	0	0	116.6	D378	D378-F380 HydrophobicContact CB-CD2 3.93Å; D378-F380 HydrophobicContact CB-CE1 4.11Å; D378-F380 HydrophobicContact CB-CE2 3.14Å; D378-F380 HydrophobicContact CB-CZ 3.25Å; D378-F380 WeakPolarHBondContact O-CD2 3.21Å; D378-F380 WeakPolarHBondContact O-CE2 3.3Å
381	Y	49.8	Very low	47.3	Very low	72 Å²	72	102.2 Å²	102.2	28%	0.282	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	107.5	-174.7	-60.8	-74.5	0	0	0	111.2	S392 F393 K396	Y381-S392 CarbonylContact O-C 3.28Å; Y381-S392 VanDerWaalsContact O-CA 3.31Å; Y381-S392 WeakPolarHBondContact O-CA 3.48Å; Y381-F393 WeakPolarHBondContact CB-O 3.4Å; Y381-F393 WeakPolarHBondContact CD2-O 3.44Å; Y381-F393 PolarHBondContact N-O 3.45Å; Y381-F393 PolarHBondContact O-N 2.95Å; Y381-K396 HydrophobicContact CD1-CB 4.18Å; Y381-K396 HydrophobicContact CD1-CG 4.25Å; Y381-K396 HydrophobicContact CD2-CB 4.5Å; Y381-K396 HydrophobicContact CE1-CB 3.94Å; Y381-K396 HydrophobicContact CE1-CD 4.26Å; Y381-K396 HydrophobicContact CE1-CG 4.15Å; Y381-K396 HydrophobicContact CE2-CB 4.26Å; Y381-K396 HydrophobicContact CG-CB 4.46Å
382	L	50.4	Low	47	Very low	84 Å²	84	103.7 Å²	103.7	44%	0.44	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.7	179.2	-67.7	166.1	0	0	0	111	D384	L382-D384 PolarHBondContact O-N 2.86Å
383	S	48.3	Very low	47	Very low	7 Å²	7	102.1 Å²	102.1	5%	0.049	50%	0.502	C	S	.	.			trans	-79.8	93.4	168.6	60.5	0	0	0	0	110.6	C389 K391	S383-C389 PolarHBondContact OG-O 3.14Å; S383-K391 PolarHBondContact N-O 3.1Å; S383-K391 VanDerWaalsContact N-O 3.1Å; S383-K391 PolarHBondContact OG-N 2.93Å; S383-K391 VanDerWaalsContact OG-N 3.14Å; S383-K391 PolarHBondContact OG-O 3.26Å
384	D	50.4	Low	46.4	Very low	124 Å²	124	102.7 Å²	102.7	66%	0.663	51%	0.505	S	S	*	.			trans	-97.6	96.6	168.1	-91.4	-15.8	0	0	0	109.5	L382	L382-D384 PolarHBondContact O-N 2.86Å
385	E	43.8	Very low	46.3	Very low	125 Å²	125	102.8 Å²	102.8	58%	0.584	50%	0.498	S	S	*	.	S	Bend	trans	-148.4	125	146.9	-77.1	-156.9	154.7	0	0	109.9	G387	E385-G387 PolarHBondContact O-N 3.06Å
386	H	42.7	Very low	46.5	Very low	170 Å²	170	105.3 Å²	105.3	79%	0.787	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	44.9	163.3	-57.5	127.1	0	0	0	117.9	K388	H386-K388 VanDerWaalsContact C-N 3.26Å; H386-K388 PolarHBondContact O-N 3.32Å
387	G	44.4	Very low	46.8	Very low	88 Å²	88	105.5 Å²	105.5	91%	0.907	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	14.7	153.5	0	0	0	0	0	117.9	E385	E385-G387 PolarHBondContact O-N 3.06Å
388	K	47.2	Very low	47.1	Very low	199 Å²	199	101 Å²	101	87%	0.865	50%	0.495	S	S	*	.	S	Bend	trans	-118.1	-12.3	-176.6	-71.5	-179.2	-177.4	177.4	0	116.2	H386	H386-K388 VanDerWaalsContact C-N 3.26Å; H386-K388 PolarHBondContact O-N 3.32Å
389	C	43.1	Very low	47.4	Very low	33 Å²	33	97.4 Å²	97.4	22%	0.223	48%	0.476	C	S	.	.			trans	-155.2	104.8	175.6	-176.3	0	0	0	0	111.7	S383 K391 H402	S383-C389 PolarHBondContact OG-O 3.14Å; C389-K391 PolarHBondContact O-N 3.02Å; C389-H402 PolarHBondContact SG-NE2 2.94Å
390	R	48	Very low	47.7	Very low	215 Å²	215	95.5 Å²	95.5	81%	0.811	47%	0.47	S	S	*	.			trans	-97.7	83.4	177.3	-158.6	177.8	-169.5	-147.8	2.5	109.5
391	K	44.7	Very low	47.8	Very low	117 Å²	117	93.3 Å²	93.3	51%	0.509	46%	0.462	S	S	.	.			trans	-112.8	140.7	177.5	-75	-175.3	-176.9	-177.5	0	110.8	S383 C389 F393	S383-K391 PolarHBondContact N-O 3.1Å; S383-K391 VanDerWaalsContact N-O 3.1Å; S383-K391 PolarHBondContact OG-N 2.93Å; S383-K391 VanDerWaalsContact OG-N 3.14Å; S383-K391 PolarHBondContact OG-O 3.26Å; C389-K391 PolarHBondContact O-N 3.02Å; K391-F393 HydrophobicContact CB-CE2 3.7Å; K391-F393 HydrophobicContact CB-CZ 3.8Å; K391-F393 HydrophobicContact CD-CZ 4.49Å
392	S	42.9	Very low	47.9	Very low	48 Å²	48	91.6 Å²	91.6	34%	0.336	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.1	179.5	58.1	0	0	0	0	111.3	K379 Y381	K379-S392 WeakPolarHBondContact CB-OG 3.31Å; K379-S392 WeakPolarHBondContact CD-OG 3.49Å; Y381-S392 CarbonylContact O-C 3.28Å; Y381-S392 VanDerWaalsContact O-CA 3.31Å; Y381-S392 WeakPolarHBondContact O-CA 3.48Å
393	F	48.8	Very low	48	Very low	39 Å²	39	90.3 Å²	90.3	17%	0.171	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146	-174.3	-59.5	-88.6	0	0	0	110.9	Y381 K391 H398 L399 H402	Y381-F393 WeakPolarHBondContact CB-O 3.4Å; Y381-F393 WeakPolarHBondContact CD2-O 3.44Å; Y381-F393 PolarHBondContact N-O 3.45Å; Y381-F393 PolarHBondContact O-N 2.95Å; K391-F393 HydrophobicContact CB-CE2 3.7Å; K391-F393 HydrophobicContact CB-CZ 3.8Å; K391-F393 HydrophobicContact CD-CZ 4.49Å; F393-H398 HydrophobicContact CB-CB 4.32Å; F393-H398 HydrophobicContact CD1-CB 3.91Å; F393-H398 HydrophobicContact CG-CB 4.37Å; F393-L399 HydrophobicContact CB-CB 4.29Å; F393-L399 HydrophobicContact CD2-CB 3.97Å; F393-L399 HydrophobicContact CD2-CD1 3.82Å; F393-L399 HydrophobicContact CE2-CD1 4.06Å; F393-L399 HydrophobicContact CG-CB 4.31Å; F393-H402 HydrophobicContact CE1-CB 4Å; F393-H402 HydrophobicContact CE2-CB 3.8Å; F393-H402 AromaticContact CE2-CD2 3.5Å; F393-H402 AromaticContact CE2-CG 3.65Å; F393-H402 HydrophobicContact CZ-CB 3.4Å; F393-H402 AromaticContact CZ-CD2 3.51Å; F393-H402 AromaticContact CZ-CG 3.22Å; F393-H402 AromaticContact CZ-ND1 3.76Å
394	Y	42.2	Very low	48.4	Very low	83 Å²	83	92.9 Å²	92.9	33%	0.325	46%	0.456	S	S	.	.	S	Bend	trans	-77.6	-24.7	178.2	-63.4	-82.2	0	0	0	113.2	R373 K379	R373-Y394 VanDerWaalsContact O-CD1 3.22Å; R373-Y394 WeakPolarHBondContact O-CD1 3.46Å; R373-Y394 WeakPolarHBondContact O-CE1 3.47Å; K379-Y394 WeakPolarHBondContact CE-OH 2.98Å; K379-Y394 HydrophobicContact CG-CD1 4.33Å; K379-Y394 HydrophobicContact CG-CE1 3.7Å; K379-Y394 HydrophobicContact CG-CE2 4.29Å
395	R	48.4	Very low	48.2	Very low	100 Å²	100	91 Å²	91	38%	0.377	45%	0.451	S	S	.	.	S	Bend	trans	-124.9	137.5	179.8	-64.6	-174.8	-178.5	-164.6	-3.8	110.9	A397 H398 L399	R395-A397 VanDerWaalsContact C-N 3.26Å; R395-A397 PolarHBondContact O-N 2.91Å; R395-H398 PolarHBondContact O-N 3.17Å; R395-H398 VanDerWaalsContact O-N 3.11Å; R395-L399 PolarHBondContact O-N 3.19Å
396	K	48.8	Very low	48.7	Very low	131 Å²	131	90 Å²	90	57%	0.57	45%	0.446	S	S	*	.	H	α-helix	trans	-59.3	-35.1	177.1	-165.1	176.5	-179.3	-178.8	0	112.5	Y381 H398 L399 I400	Y381-K396 HydrophobicContact CD1-CB 4.18Å; Y381-K396 HydrophobicContact CD1-CG 4.25Å; Y381-K396 HydrophobicContact CD2-CB 4.5Å; Y381-K396 HydrophobicContact CE1-CB 3.94Å; Y381-K396 HydrophobicContact CE1-CD 4.26Å; Y381-K396 HydrophobicContact CE1-CG 4.15Å; Y381-K396 HydrophobicContact CE2-CB 4.26Å; Y381-K396 HydrophobicContact CG-CB 4.46Å; K396-H398 VanDerWaalsContact C-N 3.33Å; K396-H398 PolarHBondContact O-N 3.34Å; K396-L399 WeakPolarHBondContact O-CB 3.22Å; K396-L399 PolarHBondContact O-N 3.18Å; K396-I400 HydrophobicContact CG-CD1 4.16Å; K396-I400 WeakPolarHBondContact O-CG1 3.39Å; K396-I400 PolarHBondContact O-N 2.73Å
397	A	49.9	Very low	49.2	Very low	68 Å²	68	84.6 Å²	84.6	56%	0.562	43%	0.428	S	S	*	.	H	α-helix	trans	-60.6	-38	175.7	0	0	0	0	0	113.2	R395 I400 Q401	R395-A397 VanDerWaalsContact C-N 3.26Å; R395-A397 PolarHBondContact O-N 2.91Å; A397-I400 PolarHBondContact O-N 3.26Å; A397-Q401 WeakPolarHBondContact O-CB 3.19Å; A397-Q401 PolarHBondContact O-N 3Å
398	H	50.1	Low	49.4	Very low	93 Å²	93	83.1 Å²	83.1	43%	0.431	41%	0.412	S	S	.	.	H	α-helix	trans	-72.9	-34.5	176.7	-66.1	166.6	0	0	0	112.3	F393 R395 K396 Q401 H402	F393-H398 HydrophobicContact CB-CB 4.32Å; F393-H398 HydrophobicContact CD1-CB 3.91Å; F393-H398 HydrophobicContact CG-CB 4.37Å; R395-H398 PolarHBondContact O-N 3.17Å; R395-H398 VanDerWaalsContact O-N 3.11Å; K396-H398 VanDerWaalsContact C-N 3.33Å; K396-H398 PolarHBondContact O-N 3.34Å; H398-Q401 PolarHBondContact O-N 2.97Å; H398-H402 VanDerWaalsContact O-CB 3.31Å; H398-H402 WeakPolarHBondContact O-CB 3.27Å; H398-H402 PolarHBondContact O-N 2.93Å
399	L	50.8	Low	49.4	Very low	15 Å²	15	79.3 Å²	79.3	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-62.1	-48.5	171.4	171.9	62.1	0	0	0	110.6	F393 R395 K396 Q401 H402 Q403	F393-L399 HydrophobicContact CB-CB 4.29Å; F393-L399 HydrophobicContact CD2-CB 3.97Å; F393-L399 HydrophobicContact CD2-CD1 3.82Å; F393-L399 HydrophobicContact CE2-CD1 4.06Å; F393-L399 HydrophobicContact CG-CB 4.31Å; R395-L399 PolarHBondContact O-N 3.19Å; K396-L399 WeakPolarHBondContact O-CB 3.22Å; K396-L399 PolarHBondContact O-N 3.18Å; L399-Q401 VanDerWaalsContact C-N 3.33Å; L399-Q401 PolarHBondContact O-N 3.26Å; L399-H402 CarbonylContact O-C 3.53Å; L399-H402 WeakPolarHBondContact O-CA 3.32Å; L399-H402 WeakPolarHBondContact O-CB 3.5Å; L399-H402 PolarHBondContact O-N 3.09Å; L399-Q403 HydrophobicContact CD1-CG 3.92Å; L399-Q403 HydrophobicContact CG-CG 4.42Å; L399-Q403 WeakPolarHBondContact O-CG 3.45Å; L399-Q403 PolarHBondContact O-N 3.11Å
400	I	56.4	Low	49.7	Very low	68 Å²	68	84 Å²	84	35%	0.349	41%	0.414	S	S	.	.	H	α-helix	trans	-60.3	-43.6	177.8	-66.9	166.2	0	0	0	110.5	K396 A397 H402 Q403 R404	K396-I400 HydrophobicContact CG-CD1 4.16Å; K396-I400 WeakPolarHBondContact O-CG1 3.39Å; K396-I400 PolarHBondContact O-N 2.73Å; A397-I400 PolarHBondContact O-N 3.26Å; I400-H402 VanDerWaalsContact C-N 3.29Å; I400-H402 PolarHBondContact O-N 3.1Å; I400-Q403 PolarHBondContact O-N 3.27Å; I400-R404 VanDerWaalsContact O-CG 3.3Å; I400-R404 WeakPolarHBondContact O-CG 3.25Å; I400-R404 PolarHBondContact O-N 3.28Å
401	Q	51.8	Low	49.7	Very low	81 Å²	81	77.8 Å²	77.8	38%	0.379	40%	0.4	S	S	.	.	H	α-helix	trans	-63.4	-34	174.9	-172.3	179	1.7	0	0	112.9	A397 H398 L399 P405	A397-Q401 WeakPolarHBondContact O-CB 3.19Å; A397-Q401 PolarHBondContact O-N 3Å; H398-Q401 PolarHBondContact O-N 2.97Å; L399-Q401 VanDerWaalsContact C-N 3.33Å; L399-Q401 PolarHBondContact O-N 3.26Å; Q401-P405 WeakPolarHBondContact O-CD 3.42Å
402	H	53	Low	49.9	Very low	35 Å²	35	76.2 Å²	76.2	16%	0.162	39%	0.391	C	S	.	.	H	α-helix	trans	-74.1	-31.6	176.7	177.8	67.1	0	0	0	113.4	C389 F393 H398 L399 I400 P405 H406	C389-H402 PolarHBondContact SG-NE2 2.94Å; F393-H402 HydrophobicContact CE1-CB 4Å; F393-H402 HydrophobicContact CE2-CB 3.8Å; F393-H402 AromaticContact CE2-CD2 3.5Å; F393-H402 AromaticContact CE2-CG 3.65Å; F393-H402 HydrophobicContact CZ-CB 3.4Å; F393-H402 AromaticContact CZ-CD2 3.51Å; F393-H402 AromaticContact CZ-CG 3.22Å; F393-H402 AromaticContact CZ-ND1 3.76Å; H398-H402 VanDerWaalsContact O-CB 3.31Å; H398-H402 WeakPolarHBondContact O-CB 3.27Å; H398-H402 PolarHBondContact O-N 2.93Å; L399-H402 CarbonylContact O-C 3.53Å; L399-H402 WeakPolarHBondContact O-CA 3.32Å; L399-H402 WeakPolarHBondContact O-CB 3.5Å; L399-H402 PolarHBondContact O-N 3.09Å; I400-H402 VanDerWaalsContact C-N 3.29Å; I400-H402 PolarHBondContact O-N 3.1Å; H402-P405 WeakPolarHBondContact O-CD 3.47Å; H402-H406 AromaticContact CE1-NE2 3.48Å; H402-H406 PolarHBondContact CE1-NE2 3.33Å; H402-H406 AromaticContact NE2-CD2 3.95Å; H402-H406 AromaticContact NE2-NE2 3.27Å; H402-H406 PolarHBondContact NE2-NE2 3.15Å; H402-H406 PolarHBondContact O-CD2 3.17Å
403	Q	51.9	Low	49.8	Very low	57 Å²	57	81.2 Å²	81.2	27%	0.266	41%	0.409	S	S	.	.	H	α-helix	trans	-77.2	-30.9	180	-74.9	173.9	-44	0	0	113	L399 I400 H406 S407	L399-Q403 HydrophobicContact CD1-CG 3.92Å; L399-Q403 HydrophobicContact CG-CG 4.42Å; L399-Q403 WeakPolarHBondContact O-CG 3.45Å; L399-Q403 PolarHBondContact O-N 3.11Å; I400-Q403 PolarHBondContact O-N 3.27Å; Q403-H406 WeakPolarHBondContact O-CA 3.18Å; Q403-H406 WeakPolarHBondContact O-CB 2.91Å; Q403-H406 PolarHBondContact O-N 3.41Å; Q403-S407 PolarHBondContact O-N 3Å; Q403-S407 VanDerWaalsContact O-N 3.09Å
404	R	57.2	Low	49.3	Very low	61 Å²	61	82 Å²	82	23%	0.23	41%	0.412	C	S	.	.	H	α-helix	trans	-56.2	-40.1	-179.3	-72.8	170.9	-171.6	-178.3	0	115.5	I400 H406 S407 G408 C422	I400-R404 VanDerWaalsContact O-CG 3.3Å; I400-R404 WeakPolarHBondContact O-CG 3.25Å; I400-R404 PolarHBondContact O-N 3.28Å; R404-H406 VanDerWaalsContact C-N 3.28Å; R404-H406 PolarHBondContact O-N 3.07Å; R404-S407 PolarHBondContact O-OG 2.88Å; R404-G408 PolarHBondContact O-N 3.25Å; R404-C422 HydrophobicContact CB-CB 4.14Å; R404-C422 WeakPolarHBondContact CD-O 3.17Å; R404-C422 PolarHBondContact NH1-O 3.14Å; R404-C422 VanDerWaalsContact NH1-O 3.08Å
405	P	47.2	Very low	49.3	Very low	84 Å²	84	87.4 Å²	87.4	55%	0.545	44%	0.44	S	S	.	.	H	α-helix	trans	-64	-28.3	171.4	-23.2	31.9	0	0	0	114.5	Q401 H402	Q401-P405 WeakPolarHBondContact O-CD 3.42Å; H402-P405 WeakPolarHBondContact O-CD 3.47Å
406	H	53.2	Low	49	Very low	106 Å²	106	88.9 Å²	88.9	49%	0.491	45%	0.451	S	S	.	.	H	α-helix	trans	-80.4	-33.7	179.8	-63.8	-69.3	0	0	0	112.1	H402 Q403 R404 G408	H402-H406 AromaticContact CE1-NE2 3.48Å; H402-H406 PolarHBondContact CE1-NE2 3.33Å; H402-H406 AromaticContact NE2-CD2 3.95Å; H402-H406 AromaticContact NE2-NE2 3.27Å; H402-H406 PolarHBondContact NE2-NE2 3.15Å; H402-H406 PolarHBondContact O-CD2 3.17Å; Q403-H406 WeakPolarHBondContact O-CA 3.18Å; Q403-H406 WeakPolarHBondContact O-CB 2.91Å; Q403-H406 PolarHBondContact O-N 3.41Å; R404-H406 VanDerWaalsContact C-N 3.28Å; R404-H406 PolarHBondContact O-N 3.07Å; H406-G408 VanDerWaalsContact C-N 3.3Å
407	S	53.5	Low	48.5	Very low	56 Å²	56	83.9 Å²	83.9	39%	0.392	43%	0.432	S	S	.	.	H	α-helix	trans	-78.1	-12.9	176.2	65.1	0	0	0	0	113.8	Q403 R404 E409	Q403-S407 PolarHBondContact O-N 3Å; Q403-S407 VanDerWaalsContact O-N 3.09Å; R404-S407 PolarHBondContact O-OG 2.88Å; S407-E409 PolarHBondContact O-N 2.79Å
408	G	48.1	Very low	47.9	Very low	56 Å²	56	85 Å²	85	58%	0.577	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	4.2	-177.2	0	0	0	0	0	114.3	R404 H406 K410	R404-G408 PolarHBondContact O-N 3.25Å; H406-G408 VanDerWaalsContact C-N 3.3Å; G408-K410 PolarHBondContact O-N 3.12Å
409	E	48.4	Very low	47.2	Very low	120 Å²	120	85.7 Å²	85.7	56%	0.561	44%	0.443	S	S	*	.			trans	-70.6	113	177.6	-81.5	-177	138.9	0	0	111.1	S407	S407-E409 PolarHBondContact O-N 2.79Å
410	K	48.5	Very low	46.6	Very low	131 Å²	131	86.5 Å²	86.5	57%	0.57	45%	0.451	S	S	*	.			trans	-101.8	87.2	170.4	-52.2	-175.7	-174.9	175.7	0	109	G408 S420	G408-K410 PolarHBondContact O-N 3.12Å; K410-S420 WeakPolarHBondContact CD-OG 3.01Å
411	T	48.9	Very low	45.9	Very low	84 Å²	84	85.1 Å²	85.1	52%	0.515	44%	0.442	S	S	.	.			trans	-78.4	-19.7	-169	-3.1	0	0	0	0	114.5	F421	T411-F421 PolarHBondContact N-O 3.28Å
412	Y	47.3	Very low	44.9	Very low	85 Å²	85	83.5 Å²	83.5	33%	0.333	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	109.7	-176.9	-57.7	-89.3	0	0	0	110.2	S420 F421 P427	Y412-S420 CarbonylContact O-C 3.54Å; Y412-S420 VanDerWaalsContact O-CA 3.25Å; Y412-S420 WeakPolarHBondContact O-CA 3.35Å; Y412-F421 PolarHBondContact N-O 3.3Å; Y412-F421 PolarHBondContact O-N 3.23Å; Y412-P427 HydrophobicContact CD1-CG 4.37Å; Y412-P427 HydrophobicContact CG-CG 4.08Å
413	Q	40.8	Very low	44.4	Very low	153 Å²	153	82.2 Å²	82.2	72%	0.715	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.5	177.7	-56.9	-159	-10.9	0	0	110.6
414	Y	39.3	Very low	43.7	Very low	55 Å²	55	82.6 Å²	82.6	22%	0.216	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.8	172.3	-161.5	-97.1	0	0	0	109	E416 C417 A418 K419 P431	Y414-E416 VanDerWaalsContact C-N 3.25Å; Y414-E416 HydrophobicContact CD1-CB 4.11Å; Y414-E416 HydrophobicContact CE1-CB 3.88Å; Y414-E416 HydrophobicContact CE1-CG 4.28Å; Y414-E416 WeakPolarHBondContact CE1-OE2 3.39Å; Y414-E416 PolarHBondContact O-N 2.85Å; Y414-E416 PolarHBondContact OH-OE2 3.14Å; Y414-C417 HydrophobicContact CD1-CB 4.26Å; Y414-C417 PolarHBondContact O-N 3.3Å; Y414-A418 PolarHBondContact O-N 3.39Å; Y414-A418 VanDerWaalsContact O-N 3.12Å; Y414-K419 PolarHBondContact N-O 3.12Å; Y414-P431 HydrophobicContact CE2-CG 3.99Å
415	E	41.6	Very low	42.7	Very low	197 Å²	197	82.1 Å²	82.1	92%	0.921	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.2	-167.1	-66.7	-174.4	163.1	0	0	113.6
416	E	43	Very low	42.5	Very low	131 Å²	131	81.7 Å²	81.7	61%	0.612	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.1	-178.8	-62.6	178.4	148.9	0	0	114.7	Y414	Y414-E416 VanDerWaalsContact C-N 3.25Å; Y414-E416 HydrophobicContact CD1-CB 4.11Å; Y414-E416 HydrophobicContact CE1-CB 3.88Å; Y414-E416 HydrophobicContact CE1-CG 4.28Å; Y414-E416 WeakPolarHBondContact CE1-OE2 3.39Å; Y414-E416 PolarHBondContact O-N 2.85Å; Y414-E416 PolarHBondContact OH-OE2 3.14Å
417	C	37.2	Very low	41.7	Very low	26 Å²	26	78.1 Å²	78.1	18%	0.176	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-6.3	-171.4	-178.7	0	0	0	0	114	Y414 K419	Y414-C417 HydrophobicContact CD1-CB 4.26Å; Y414-C417 PolarHBondContact O-N 3.3Å; C417-K419 PolarHBondContact O-N 3.23Å; C417-K419 VanDerWaalsContact SG-CD 3.56Å
418	A	38.8	Very low	41.2	Very low	92 Å²	92	82 Å²	82	76%	0.76	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	19.7	-175.6	0	0	0	0	0	114.6	Y414	Y414-A418 PolarHBondContact O-N 3.39Å; Y414-A418 VanDerWaalsContact O-N 3.12Å
419	K	35.2	Very low	40.8	Very low	106 Å²	106	83.3 Å²	83.3	46%	0.461	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.7	173.1	-75.5	-178.6	-172.8	170.6	0	110	Y414 C417 F421	Y414-K419 PolarHBondContact N-O 3.12Å; C417-K419 PolarHBondContact O-N 3.23Å; C417-K419 VanDerWaalsContact SG-CD 3.56Å; K419-F421 HydrophobicContact CB-CE2 3.89Å; K419-F421 HydrophobicContact CB-CZ 3.82Å; K419-F421 HydrophobicContact CD-CZ 4.42Å
420	S	37	Very low	40.5	Very low	33 Å²	33	79.1 Å²	79.1	23%	0.231	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132	-173.2	47.3	0	0	0	0	111.3	K410 Y412	K410-S420 WeakPolarHBondContact CD-OG 3.01Å; Y412-S420 CarbonylContact O-C 3.54Å; Y412-S420 VanDerWaalsContact O-CA 3.25Å; Y412-S420 WeakPolarHBondContact O-CA 3.35Å
421	F	41.5	Very low	40	Very low	39 Å²	39	74.3 Å²	74.3	17%	0.171	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.2	-167.2	-57.5	-84.4	0	0	0	111.9	T411 Y412 K419 H426 P427 H430	T411-F421 PolarHBondContact N-O 3.28Å; Y412-F421 PolarHBondContact N-O 3.3Å; Y412-F421 PolarHBondContact O-N 3.23Å; K419-F421 HydrophobicContact CB-CE2 3.89Å; K419-F421 HydrophobicContact CB-CZ 3.82Å; K419-F421 HydrophobicContact CD-CZ 4.42Å; F421-H426 HydrophobicContact CB-CB 4.15Å; F421-H426 HydrophobicContact CD1-CB 4.04Å; F421-H426 HydrophobicContact CG-CB 4.16Å; F421-P427 HydrophobicContact CD2-CG 4.47Å; F421-H430 AromaticContact CE1-CD2 3.75Å; F421-H430 HydrophobicContact CE2-CB 4.46Å; F421-H430 HydrophobicContact CZ-CB 4.36Å; F421-H430 AromaticContact CZ-CD2 3.18Å; F421-H430 WeakPolarHBondContact CZ-CD2 3.46Å; F421-H430 AromaticContact CZ-CE1 3.97Å; F421-H430 AromaticContact CZ-CG 3.65Å; F421-H430 AromaticContact CZ-NE2 3.42Å; F421-H430 WeakPolarHBondContact CZ-NE2 3.3Å
422	C	32	Very low	39.7	Very low	46 Å²	46	72.1 Å²	72.1	31%	0.311	39%	0.388	S	S	.	.	S	Bend	trans	-94.5	1.1	-177.9	54.5	0	0	0	0	114.2	R404	R404-C422 HydrophobicContact CB-CB 4.14Å; R404-C422 WeakPolarHBondContact CD-O 3.17Å; R404-C422 PolarHBondContact NH1-O 3.14Å; R404-C422 VanDerWaalsContact NH1-O 3.08Å
423	S	41.5	Very low	39.3	Very low	8 Å²	8	73.2 Å²	73.2	6%	0.056	40%	0.404	C	S	.	.	S	Bend	trans	-143.5	140.1	-177.6	167.6	0	0	0	0	111.5	S425 H426 P427	S423-S425 PolarHBondContact O-N 3.34Å; S423-S425 PolarHBondContact OG-N 2.99Å; S423-S425 PolarHBondContact OG-OG 3.42Å; S423-H426 WeakPolarHBondContact CB-ND1 3.48Å; S423-H426 PolarHBondContact O-N 2.93Å; S423-H426 PolarHBondContact OG-ND1 3.09Å; S423-P427 WeakPolarHBondContact O-CD 3.27Å
424	S	38.1	Very low	39	Very low	65 Å²	65	72.6 Å²	72.6	46%	0.455	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.9	179.1	51.3	0	0	0	0	113.8
425	S	36.3	Very low	38.9	Very low	51 Å²	51	72.9 Å²	72.9	36%	0.357	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.1	176.6	64.2	0	0	0	0	114.1	S423	S423-S425 PolarHBondContact O-N 3.34Å; S423-S425 PolarHBondContact OG-N 2.99Å; S423-S425 PolarHBondContact OG-OG 3.42Å
426	H	42.8	Very low	38.8	Very low	75 Å²	75	66.9 Å²	66.9	35%	0.347	39%	0.394	S	S	.	.	H	α-helix	trans	-82.9	-39.4	-178.5	-67.7	61	0	0	0	112.7	F421 S423 I428 Q429 H430	F421-H426 HydrophobicContact CB-CB 4.15Å; F421-H426 HydrophobicContact CD1-CB 4.04Å; F421-H426 HydrophobicContact CG-CB 4.16Å; S423-H426 WeakPolarHBondContact CB-ND1 3.48Å; S423-H426 PolarHBondContact O-N 2.93Å; S423-H426 PolarHBondContact OG-ND1 3.09Å; H426-I428 PolarHBondContact O-N 3.21Å; H426-Q429 PolarHBondContact O-N 2.87Å; H426-Q429 VanDerWaalsContact O-N 3.09Å; H426-H430 WeakPolarHBondContact O-CB 3.37Å; H426-H430 PolarHBondContact O-N 3.32Å
427	P	36.9	Very low	38.6	Very low	31 Å²	31	67.6 Å²	67.6	20%	0.201	40%	0.396	C	S	.	.	H	α-helix	trans	-63.9	-15.3	170.1	-22.9	30.9	0	0	0	115.2	Y412 F421 S423 P431	Y412-P427 HydrophobicContact CD1-CG 4.37Å; Y412-P427 HydrophobicContact CG-CG 4.08Å; F421-P427 HydrophobicContact CD2-CG 4.47Å; S423-P427 WeakPolarHBondContact O-CD 3.27Å; P427-P431 WeakPolarHBondContact O-CD 3.49Å; P427-P431 WeakPolarHBondContact O-CG 3.5Å
428	I	41.4	Very low	38.8	Very low	139 Å²	139	72.6 Å²	72.6	71%	0.713	41%	0.414	S	S	*	.	H	α-helix	trans	-86.1	-26.1	172.7	-59.2	172.6	0	0	0	110.6	H426	H426-I428 PolarHBondContact O-N 3.21Å
429	Q	41.5	Very low	39.4	Very low	82 Å²	82	74.1 Å²	74.1	38%	0.383	41%	0.409	S	S	.	.	H	α-helix	trans	-90.1	-24.8	178.1	-69.2	174.3	11.5	0	0	113.5	H426	H426-Q429 PolarHBondContact O-N 2.87Å; H426-Q429 VanDerWaalsContact O-N 3.09Å
430	H	40.9	Very low	40.1	Very low	32 Å²	32	73.5 Å²	73.5	15%	0.148	41%	0.405	C	S	.	.	S	Bend	trans	-73.4	-37	-178.5	-153.7	-88.9	0	0	0	115	F421 H426 G432 T433	F421-H430 AromaticContact CE1-CD2 3.75Å; F421-H430 HydrophobicContact CE2-CB 4.46Å; F421-H430 HydrophobicContact CZ-CB 4.36Å; F421-H430 AromaticContact CZ-CD2 3.18Å; F421-H430 WeakPolarHBondContact CZ-CD2 3.46Å; F421-H430 AromaticContact CZ-CE1 3.97Å; F421-H430 AromaticContact CZ-CG 3.65Å; F421-H430 AromaticContact CZ-NE2 3.42Å; F421-H430 WeakPolarHBondContact CZ-NE2 3.3Å; H426-H430 WeakPolarHBondContact O-CB 3.37Å; H426-H430 PolarHBondContact O-N 3.32Å; H430-G432 PolarHBondContact O-N 3.1Å; H430-T433 PolarHBondContact O-N 3.49Å; H430-T433 VanDerWaalsContact O-N 3.1Å; H430-T433 PolarHBondContact O-OG1 3.49Å
431	P	38	Very low	40.5	Very low	30 Å²	30	76.3 Å²	76.3	20%	0.195	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-62.3	-30	178.6	-21.4	31	0	0	0	112.6	Y414 P427 T433 Y434 V435	Y414-P431 HydrophobicContact CE2-CG 3.99Å; P427-P431 WeakPolarHBondContact O-CD 3.49Å; P427-P431 WeakPolarHBondContact O-CG 3.5Å; P431-T433 PolarHBondContact O-N 3.07Å; P431-Y434 PolarHBondContact O-N 3.26Å; P431-V435 PolarHBondContact O-N 3.26Å
432	G	41.8	Very low	41.2	Very low	38 Å²	38	74.5 Å²	74.5	39%	0.392	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-63.1	-5.6	175.7	0	0	0	0	0	114.8	H430	H430-G432 PolarHBondContact O-N 3.1Å
433	T	40.2	Very low	42.3	Very low	109 Å²	109	79.7 Å²	79.7	67%	0.669	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-103.2	-16.7	172.6	62.5	0	0	0	0	114.4	H430 P431	H430-T433 PolarHBondContact O-N 3.49Å; H430-T433 VanDerWaalsContact O-N 3.1Å; H430-T433 PolarHBondContact O-OG1 3.49Å; P431-T433 PolarHBondContact O-N 3.07Å
434	Y	34.9	Very low	43.1	Very low	139 Å²	139	86.1 Å²	86.1	55%	0.545	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-35.9	-175	-114	-95	0	0	0	113.4	P431	P431-Y434 PolarHBondContact O-N 3.26Å
435	V	36.5	Very low	44	Very low	62 Å²	62	85.7 Å²	85.7	38%	0.376	46%	0.456	S	S	.	.	S	Bend	trans	-121.3	124.2	172.2	-167.8	0	0	0	0	104.9	P431 F437	P431-V435 PolarHBondContact O-N 3.26Å; V435-F437 HydrophobicContact CB-CD2 3.78Å; V435-F437 HydrophobicContact CB-CE2 3.92Å; V435-F437 HydrophobicContact CG1-CD2 3.68Å; V435-F437 HydrophobicContact CG1-CE2 3.44Å; V435-F437 VanDerWaalsContact CG1-CE2 3.44Å; V435-F437 HydrophobicContact CG1-CZ 4.43Å; V435-F437 PolarHBondContact O-N 3.32Å
436	G	39.9	Very low	44.6	Very low	70 Å²	70	84.8 Å²	84.8	72%	0.722	46%	0.455	S	S	*	.			trans	-64	48	-172.2	0	0	0	0	0	115.9	K438	G436-K438 VanDerWaalsContact C-N 3.26Å; G436-K438 PolarHBondContact O-N 3.33Å
437	F	39.3	Very low	45	Very low	147 Å²	147	87.1 Å²	87.1	65%	0.645	46%	0.464	S	S	*	.			trans	-70.8	83.5	170	-76.4	-75	0	0	0	109.3	V435 L439	V435-F437 HydrophobicContact CB-CD2 3.78Å; V435-F437 HydrophobicContact CB-CE2 3.92Å; V435-F437 HydrophobicContact CG1-CD2 3.68Å; V435-F437 HydrophobicContact CG1-CE2 3.44Å; V435-F437 VanDerWaalsContact CG1-CE2 3.44Å; V435-F437 HydrophobicContact CG1-CZ 4.43Å; V435-F437 PolarHBondContact O-N 3.32Å; F437-L439 PolarHBondContact O-N 2.95Å
438	K	40.8	Very low	45.3	Very low	130 Å²	130	87.6 Å²	87.6	57%	0.565	47%	0.471	S	S	*	.			trans	-77.3	99.1	168.3	-61.9	177.5	167.8	-175.4	0	108.3	G436 A448	G436-K438 VanDerWaalsContact C-N 3.26Å; G436-K438 PolarHBondContact O-N 3.33Å; K438-A448 HydrophobicContact CB-CB 3.6Å; K438-A448 HydrophobicContact CD-CB 3.53Å; K438-A448 HydrophobicContact CG-CB 3.33Å
439	L	50.9	Low	45.9	Very low	124 Å²	124	83.2 Å²	83.2	65%	0.649	45%	0.447	S	S	*	.	S	Bend	trans	-79.1	-30.6	178.1	-89.6	144.9	0	0	0	113.1	F437	F437-L439 PolarHBondContact O-N 2.95Å
440	Y	49.7	Very low	45.9	Very low	94 Å²	94	82.5 Å²	82.5	37%	0.369	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	110	-176	-58.2	-76.6	0	0	0	110.5	A448 F449 N452	Y440-A448 CarbonylContact O-C 3.56Å; Y440-A448 WeakPolarHBondContact O-CA 3.24Å; Y440-F449 PolarHBondContact N-O 2.78Å; Y440-F449 PolarHBondContact O-N 2.9Å; Y440-N452 HydrophobicContact CD1-CB 4.15Å; Y440-N452 HydrophobicContact CD2-CB 4.43Å; Y440-N452 HydrophobicContact CE1-CB 3.95Å; Y440-N452 HydrophobicContact CE2-CB 4.23Å; Y440-N452 HydrophobicContact CG-CB 4.39Å
441	E	46.2	Very low	46.2	Very low	92 Å²	92	84 Å²	84	43%	0.43	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	139.6	-179.8	-170.9	163.4	172.7	0	0	111.3	N443 G446	E441-N443 PolarHBondContact O-N 3.09Å; E441-N443 PolarHBondContact O-OD1 2.81Å; E441-G446 VanDerWaalsContact OE1-CA 3.29Å; E441-G446 WeakPolarHBondContact OE1-CA 3.11Å
442	C	55	Low	46.4	Very low	0 Å²	0	86.5 Å²	86.5	0%	0	47%	0.469	C	S	.	.			trans	-79.1	111.4	172	177.9	0	0	0	0	110	E444 C445 G446 K447 F449 L455 H458 H462	C442-E444 PolarHBondContact O-N 2.81Å; C442-C445 PolarHBondContact O-N 2.93Å; C442-C445 VanDerWaalsContact SG-SG 3.69Å; C442-G446 WeakPolarHBondContact O-CA 3.14Å; C442-G446 PolarHBondContact O-N 2.77Å; C442-K447 HydrophobicContact CB-CB 4.46Å; C442-K447 WeakPolarHBondContact CB-O 3.43Å; C442-K447 PolarHBondContact N-O 2.64Å; C442-F449 HydrophobicContact CB-CE2 4.36Å; C442-L455 HydrophobicContact CB-CD1 3.7Å; C442-H458 VanDerWaalsContact CB-CD2 3.47Å; C442-H458 WeakPolarHBondContact CB-CD2 3.33Å; C442-H458 WeakPolarHBondContact CB-NE2 3.34Å; C442-H458 VanDerWaalsContact SG-CD2 3.51Å; C442-H458 PolarHBondContact SG-NE2 3.23Å; C442-H462 PolarHBondContact SG-CD2 3.23Å; C442-H462 PolarHBondContact SG-NE2 3.26Å
443	N	56.3	Low	46.6	Very low	155 Å²	155	87.5 Å²	87.5	83%	0.829	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.8	-179.4	-60	-14.1	0	0	0	114	E441	E441-N443 PolarHBondContact O-N 3.09Å; E441-N443 PolarHBondContact O-OD1 2.81Å
444	E	57.5	Low	47.1	Very low	144 Å²	144	84.8 Å²	84.8	67%	0.673	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-27	-178.3	-62.8	-65.1	147.3	0	0	114	C442 H462	C442-E444 PolarHBondContact O-N 2.81Å; E444-H462 HydrophobicContact CB-CB 4.18Å; E444-H462 HydrophobicContact CG-CB 3.98Å
445	C	58	Low	47.8	Very low	55 Å²	55	78.9 Å²	78.9	37%	0.372	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.1	7.3	-175.4	74	0	0	0	0	115.3	C442 K447 H458 H462	C442-C445 PolarHBondContact O-N 2.93Å; C442-C445 VanDerWaalsContact SG-SG 3.69Å; C445-K447 PolarHBondContact O-N 3.02Å; C445-K447 VanDerWaalsContact O-N 3.12Å; C445-H458 VanDerWaalsContact SG-CE1 3.57Å; C445-H458 PolarHBondContact SG-NE2 3.44Å; C445-H462 PolarHBondContact SG-NE2 3Å
446	G	49.1	Very low	48.6	Very low	33 Å²	33	78.5 Å²	78.5	34%	0.34	43%	0.429	S	S	.	.			trans	66.5	9.6	177.8	0	0	0	0	0	115.1	E441 C442 A448	E441-G446 VanDerWaalsContact OE1-CA 3.29Å; E441-G446 WeakPolarHBondContact OE1-CA 3.11Å; C442-G446 WeakPolarHBondContact O-CA 3.14Å; C442-G446 PolarHBondContact O-N 2.77Å; G446-A448 PolarHBondContact O-N 3.42Å
447	K	50.8	Low	49.3	Very low	123 Å²	123	81.1 Å²	81.1	54%	0.535	42%	0.421	S	S	.	.			trans	-75.1	127.7	179.1	-76	-178.2	-177.4	175.2	0	110.4	C442 C445 F449	C442-K447 HydrophobicContact CB-CB 4.46Å; C442-K447 WeakPolarHBondContact CB-O 3.43Å; C442-K447 PolarHBondContact N-O 2.64Å; C445-K447 PolarHBondContact O-N 3.02Å; C445-K447 VanDerWaalsContact O-N 3.12Å; K447-F449 HydrophobicContact CB-CE2 3.79Å; K447-F449 HydrophobicContact CB-CZ 3.96Å; K447-F449 WeakPolarHBondContact O-CD2 3.41Å; K447-F449 VanDerWaalsContact O-CE2 3.24Å; K447-F449 WeakPolarHBondContact O-CE2 3.47Å
448	A	43.6	Very low	50.1	Low	41 Å²	41	74.9 Å²	74.9	34%	0.339	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	144.6	-179.8	0	0	0	0	0	112.5	K438 Y440 G446	K438-A448 HydrophobicContact CB-CB 3.6Å; K438-A448 HydrophobicContact CD-CB 3.53Å; K438-A448 HydrophobicContact CG-CB 3.33Å; Y440-A448 CarbonylContact O-C 3.56Å; Y440-A448 WeakPolarHBondContact O-CA 3.24Å; G446-A448 PolarHBondContact O-N 3.42Å
449	F	52.3	Low	50.6	Low	48 Å²	48	71.6 Å²	71.6	21%	0.211	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.5	-178.6	-59.4	-88.1	0	0	0	109.9	Y440 C442 K447 Q451 N454 L455 H458	Y440-F449 PolarHBondContact N-O 2.78Å; Y440-F449 PolarHBondContact O-N 2.9Å; C442-F449 HydrophobicContact CB-CE2 4.36Å; K447-F449 HydrophobicContact CB-CE2 3.79Å; K447-F449 HydrophobicContact CB-CZ 3.96Å; K447-F449 WeakPolarHBondContact O-CD2 3.41Å; K447-F449 VanDerWaalsContact O-CE2 3.24Å; K447-F449 WeakPolarHBondContact O-CE2 3.47Å; F449-Q451 VanDerWaalsContact C-N 3.32Å; F449-N454 HydrophobicContact CB-CB 4.41Å; F449-N454 HydrophobicContact CD1-CB 4.07Å; F449-L455 HydrophobicContact CB-CB 4.24Å; F449-L455 HydrophobicContact CD2-CB 3.96Å; F449-L455 HydrophobicContact CD2-CD1 3.7Å; F449-L455 HydrophobicContact CD2-CG 4.42Å; F449-L455 HydrophobicContact CE2-CD1 3.95Å; F449-L455 HydrophobicContact CG-CB 4.25Å; F449-H458 HydrophobicContact CE1-CB 3.87Å; F449-H458 HydrophobicContact CE2-CB 3.71Å; F449-H458 AromaticContact CE2-CD2 3.36Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.49Å; F449-H458 AromaticContact CE2-CG 3.4Å; F449-H458 VanDerWaalsContact CE2-CG 3.4Å; F449-H458 HydrophobicContact CZ-CB 3.36Å; F449-H458 AromaticContact CZ-CD2 3.55Å; F449-H458 AromaticContact CZ-CG 3.1Å; F449-H458 AromaticContact CZ-ND1 3.44Å; F449-H458 WeakPolarHBondContact CZ-ND1 3.47Å
450	C	41.5	Very low	51.1	Low	66 Å²	66	70.1 Å²	70.1	45%	0.446	37%	0.367	S	S	.	.	S	Bend	trans	-80.6	-12.6	176.6	57.2	0	0	0	0	113.4
451	Q	48.2	Very low	51.3	Low	63 Å²	63	70.3 Å²	70.3	29%	0.294	37%	0.374	S	S	.	.	S	Bend	trans	-136.4	137.3	-179.6	-63	177.6	2.7	0	0	110.7	F449 S453 N454 L455	F449-Q451 VanDerWaalsContact C-N 3.32Å; Q451-S453 VanDerWaalsContact C-N 3.27Å; Q451-S453 PolarHBondContact O-N 3.08Å; Q451-S453 PolarHBondContact OE1-OG 3.48Å; Q451-N454 HydrophobicContact CB-CB 4.41Å; Q451-N454 PolarHBondContact O-N 3.16Å; Q451-N454 PolarHBondContact OE1-ND2 3.31Å; Q451-L455 PolarHBondContact O-N 3.36Å; Q451-L455 VanDerWaalsContact O-N 3.15Å
452	N	41.9	Very low	51.8	Low	84 Å²	84	69.1 Å²	69.1	45%	0.449	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-38.1	176.1	-170.7	37.1	0	0	0	111.9	Y440 N454 L455 S456	Y440-N452 HydrophobicContact CD1-CB 4.15Å; Y440-N452 HydrophobicContact CD2-CB 4.43Å; Y440-N452 HydrophobicContact CE1-CB 3.95Å; Y440-N452 HydrophobicContact CE2-CB 4.23Å; Y440-N452 HydrophobicContact CG-CB 4.39Å; N452-N454 PolarHBondContact O-N 2.77Å; N452-L455 CarbonylContact O-C 3.55Å; N452-L455 PolarHBondContact O-N 3.29Å; N452-L455 VanDerWaalsContact O-N 3.12Å; N452-S456 PolarHBondContact O-N 3.12Å; N452-S456 PolarHBondContact O-OG 3.47Å
453	S	46.5	Very low	51.5	Low	58 Å²	58	72.2 Å²	72.2	41%	0.406	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-29.4	176.9	68.1	0	0	0	0	113.4	Q451 K457	Q451-S453 VanDerWaalsContact C-N 3.27Å; Q451-S453 PolarHBondContact O-N 3.08Å; Q451-S453 PolarHBondContact OE1-OG 3.48Å; S453-K457 WeakPolarHBondContact O-CD 3.36Å; S453-K457 VanDerWaalsContact O-CG 3.27Å; S453-K457 WeakPolarHBondContact O-CG 3.24Å; S453-K457 PolarHBondContact O-N 2.91Å
454	N	49.3	Very low	51	Low	53 Å²	53	74.4 Å²	74.4	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-81.9	-37.6	176.4	-67	-28.6	0	0	0	111.5	F449 Q451 N452 K457 H458	F449-N454 HydrophobicContact CB-CB 4.41Å; F449-N454 HydrophobicContact CD1-CB 4.07Å; Q451-N454 HydrophobicContact CB-CB 4.41Å; Q451-N454 PolarHBondContact O-N 3.16Å; Q451-N454 PolarHBondContact OE1-ND2 3.31Å; N452-N454 PolarHBondContact O-N 2.77Å; N454-K457 PolarHBondContact O-N 3.03Å; N454-H458 WeakPolarHBondContact O-CB 3.43Å; N454-H458 PolarHBondContact O-N 2.78Å
455	L	50.3	Low	50.2	Low	15 Å²	15	74.9 Å²	74.9	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-61.1	-45.9	169	176.6	61.8	0	0	0	110.8	C442 F449 Q451 N452 K457 H458 L459	C442-L455 HydrophobicContact CB-CD1 3.7Å; F449-L455 HydrophobicContact CB-CB 4.24Å; F449-L455 HydrophobicContact CD2-CB 3.96Å; F449-L455 HydrophobicContact CD2-CD1 3.7Å; F449-L455 HydrophobicContact CD2-CG 4.42Å; F449-L455 HydrophobicContact CE2-CD1 3.95Å; F449-L455 HydrophobicContact CG-CB 4.25Å; Q451-L455 PolarHBondContact O-N 3.36Å; Q451-L455 VanDerWaalsContact O-N 3.15Å; N452-L455 CarbonylContact O-C 3.55Å; N452-L455 PolarHBondContact O-N 3.29Å; N452-L455 VanDerWaalsContact O-N 3.12Å; L455-K457 PolarHBondContact O-N 3.29Å; L455-H458 CarbonylContact O-C 3.48Å; L455-H458 WeakPolarHBondContact O-CA 3.29Å; L455-H458 WeakPolarHBondContact O-CB 3.42Å; L455-H458 PolarHBondContact O-N 3.06Å; L455-L459 HydrophobicContact CD1-CD1 4.2Å; L455-L459 HydrophobicContact CD1-CD2 4.22Å; L455-L459 HydrophobicContact CD1-CG 3.91Å; L455-L459 HydrophobicContact CG-CD1 3.95Å; L455-L459 HydrophobicContact CG-CG 4.16Å; L455-L459 WeakPolarHBondContact O-CG 3.38Å; L455-L459 PolarHBondContact O-N 2.78Å
456	S	53.2	Low	49.6	Very low	53 Å²	53	77.9 Å²	77.9	37%	0.371	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-26	176.8	-50.9	0	0	0	0	113.5	N452 R460	N452-S456 PolarHBondContact O-N 3.12Å; N452-S456 PolarHBondContact O-OG 3.47Å; S456-R460 WeakPolarHBondContact O-CG 3.39Å; S456-R460 PolarHBondContact O-NE 2.8Å
457	K	54.4	Low	49.2	Very low	126 Å²	126	79.2 Å²	79.2	55%	0.548	40%	0.401	S	S	.	.	H	α-helix	trans	-78.1	-38.4	169.6	-73.3	167.7	-171.1	167.8	0	111.5	S453 N454 L455 R460	S453-K457 WeakPolarHBondContact O-CD 3.36Å; S453-K457 VanDerWaalsContact O-CG 3.27Å; S453-K457 WeakPolarHBondContact O-CG 3.24Å; S453-K457 PolarHBondContact O-N 2.91Å; N454-K457 PolarHBondContact O-N 3.03Å; L455-K457 PolarHBondContact O-N 3.29Å; K457-R460 WeakPolarHBondContact O-CB 2.84Å; K457-R460 WeakPolarHBondContact O-CG 3.44Å; K457-R460 PolarHBondContact O-N 3.12Å
458	H	56.7	Low	48.6	Very low	15 Å²	15	74.5 Å²	74.5	7%	0.069	38%	0.383	C	S	.	.	H	α-helix	trans	-68.1	-38.1	178.5	171.7	72.9	0	0	0	113	C442 C445 F449 N454 L455 R460 I461 H462	C442-H458 VanDerWaalsContact CB-CD2 3.47Å; C442-H458 WeakPolarHBondContact CB-CD2 3.33Å; C442-H458 WeakPolarHBondContact CB-NE2 3.34Å; C442-H458 VanDerWaalsContact SG-CD2 3.51Å; C442-H458 PolarHBondContact SG-NE2 3.23Å; C445-H458 VanDerWaalsContact SG-CE1 3.57Å; C445-H458 PolarHBondContact SG-NE2 3.44Å; F449-H458 HydrophobicContact CE1-CB 3.87Å; F449-H458 HydrophobicContact CE2-CB 3.71Å; F449-H458 AromaticContact CE2-CD2 3.36Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.49Å; F449-H458 AromaticContact CE2-CG 3.4Å; F449-H458 VanDerWaalsContact CE2-CG 3.4Å; F449-H458 HydrophobicContact CZ-CB 3.36Å; F449-H458 AromaticContact CZ-CD2 3.55Å; F449-H458 AromaticContact CZ-CG 3.1Å; F449-H458 AromaticContact CZ-ND1 3.44Å; F449-H458 WeakPolarHBondContact CZ-ND1 3.47Å; N454-H458 WeakPolarHBondContact O-CB 3.43Å; N454-H458 PolarHBondContact O-N 2.78Å; L455-H458 CarbonylContact O-C 3.48Å; L455-H458 WeakPolarHBondContact O-CA 3.29Å; L455-H458 WeakPolarHBondContact O-CB 3.42Å; L455-H458 PolarHBondContact O-N 3.06Å; H458-R460 PolarHBondContact O-N 3.22Å; H458-R460 VanDerWaalsContact O-N 3.14Å; H458-I461 WeakPolarHBondContact O-CB 3.45Å; H458-I461 VanDerWaalsContact O-CG1 3.3Å; H458-I461 WeakPolarHBondContact O-CG1 3.47Å; H458-I461 PolarHBondContact O-N 3.01Å; H458-H462 AromaticContact CD2-NE2 4Å; H458-H462 AromaticContact CE1-NE2 3.62Å; H458-H462 AromaticContact NE2-CD2 3.8Å; H458-H462 AromaticContact NE2-NE2 3.12Å; H458-H462 PolarHBondContact NE2-NE2 3.31Å; H458-H462 VanDerWaalsContact NE2-NE2 3.12Å
459	L	52.1	Low	48.2	Very low	62 Å²	62	77.7 Å²	77.7	33%	0.325	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-61.2	-23.1	177.9	-71.4	170.1	0	0	0	112.6	L455 I461 H462 T463	L455-L459 HydrophobicContact CD1-CD1 4.2Å; L455-L459 HydrophobicContact CD1-CD2 4.22Å; L455-L459 HydrophobicContact CD1-CG 3.91Å; L455-L459 HydrophobicContact CG-CD1 3.95Å; L455-L459 HydrophobicContact CG-CG 4.16Å; L455-L459 WeakPolarHBondContact O-CG 3.38Å; L455-L459 PolarHBondContact O-N 2.78Å; L459-I461 PolarHBondContact O-N 3.14Å; L459-I461 VanDerWaalsContact O-N 3.14Å; L459-H462 PolarHBondContact O-N 2.97Å; L459-T463 PolarHBondContact O-N 2.79Å; L459-T463 PolarHBondContact O-OG1 3.49Å
460	R	60	Low	47.6	Very low	92 Å²	92	81.7 Å²	81.7	35%	0.347	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-66.6	-8.7	170.4	-47.6	179.6	-163	-156.3	0.3	113.6	S456 K457 H458 K478	S456-R460 WeakPolarHBondContact O-CG 3.39Å; S456-R460 PolarHBondContact O-NE 2.8Å; K457-R460 WeakPolarHBondContact O-CB 2.84Å; K457-R460 WeakPolarHBondContact O-CG 3.44Å; K457-R460 PolarHBondContact O-N 3.12Å; H458-R460 PolarHBondContact O-N 3.22Å; H458-R460 VanDerWaalsContact O-N 3.14Å; R460-K478 WeakPolarHBondContact O-CD 3.48Å; R460-K478 PolarHBondContact O-NZ 3.38Å
461	I	55.3	Low	47.4	Very low	98 Å²	98	84.8 Å²	84.8	50%	0.503	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-76.3	-36.6	170.9	-60	178.5	0	0	0	109.9	H458 L459 K478	H458-I461 WeakPolarHBondContact O-CB 3.45Å; H458-I461 VanDerWaalsContact O-CG1 3.3Å; H458-I461 WeakPolarHBondContact O-CG1 3.47Å; H458-I461 PolarHBondContact O-N 3.01Å; L459-I461 PolarHBondContact O-N 3.14Å; L459-I461 VanDerWaalsContact O-N 3.14Å; I461-K478 PolarHBondContact O-NZ 2.93Å
462	H	56.3	Low	46.8	Very low	68 Å²	68	86.2 Å²	86.2	32%	0.315	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-38.8	-176.2	-55.6	-59.5	0	0	0	112.4	C442 E444 C445 H458 L459 K464	C442-H462 PolarHBondContact SG-CD2 3.23Å; C442-H462 PolarHBondContact SG-NE2 3.26Å; E444-H462 HydrophobicContact CB-CB 4.18Å; E444-H462 HydrophobicContact CG-CB 3.98Å; C445-H462 PolarHBondContact SG-NE2 3Å; H458-H462 AromaticContact CD2-NE2 4Å; H458-H462 AromaticContact CE1-NE2 3.62Å; H458-H462 AromaticContact NE2-CD2 3.8Å; H458-H462 AromaticContact NE2-NE2 3.12Å; H458-H462 PolarHBondContact NE2-NE2 3.31Å; H458-H462 VanDerWaalsContact NE2-NE2 3.12Å; L459-H462 PolarHBondContact O-N 2.97Å; H462-K464 PolarHBondContact O-N 3.27Å
463	T	48.6	Very low	46.4	Very low	64 Å²	64	86.3 Å²	86.3	39%	0.393	47%	0.468	S	S	.	.	S	Bend	trans	-76	121.8	169.6	63.1	0	0	0	0	108.8	L459 E465	L459-T463 PolarHBondContact O-N 2.79Å; L459-T463 PolarHBondContact O-OG1 3.49Å; T463-E465 PolarHBondContact O-N 3.45Å; T463-E465 VanDerWaalsContact O-N 3.09Å
464	K	45.3	Very low	45.7	Very low	201 Å²	201	87.2 Å²	87.2	87%	0.874	49%	0.487	S	S	*	.			trans	-70.5	5.9	173.5	-70.5	-178.7	-178.6	174	0	112.6	H462 K466	H462-K464 PolarHBondContact O-N 3.27Å; K464-K466 PolarHBondContact O-N 3.28Å
465	E	40.9	Very low	44.8	Very low	154 Å²	154	93.6 Å²	93.6	72%	0.72	51%	0.507	S	S	*	.			trans	-70.7	123.4	178.6	-67.8	-176.1	171.2	0	0	111.2	T463	T463-E465 PolarHBondContact O-N 3.45Å; T463-E465 VanDerWaalsContact O-N 3.09Å
466	K	45.3	Very low	43.9	Very low	118 Å²	118	94.1 Å²	94.1	51%	0.513	51%	0.512	S	S	.	.			trans	-110.3	103.4	-178.3	-72.7	153.1	150.1	-159.5	0	106.4	K464 C468 S476	K464-K466 PolarHBondContact O-N 3.28Å; K466-C468 PolarHBondContact O-N 2.96Å; K466-S476 VanDerWaalsContact CD-CB 3.43Å; K466-S476 WeakPolarHBondContact CD-OG 3.47Å; K466-S476 WeakPolarHBondContact CE-OG 3.4Å; K466-S476 PolarHBondContact NZ-OG 3.49Å
467	P	40.1	Very low	43.2	Very low	61 Å²	61	96.2 Å²	96.2	40%	0.396	51%	0.512	S	S	.	.	S	Bend	trans	-76	4	-167.7	-13.8	28.5	0	0	0	114.8	A324	A324-P467 HydrophobicContact CB-CB 3.84Å
468	C	39.7	Very low	42.3	Very low	25 Å²	25	95.5 Å²	95.5	17%	0.169	51%	0.509	C	S	.	.			trans	-150.2	110.5	178.9	52.2	0	0	0	0	109.7	K466 L481	K466-C468 PolarHBondContact O-N 2.96Å; C468-L481 HydrophobicContact CB-CD1 3.89Å
469	D	35.2	Very low	41.2	Very low	108 Å²	108	98.8 Å²	98.8	58%	0.578	53%	0.534	S	S	*	.			trans	-104.2	122.9	153.2	-77.3	-29.6	0	0	0	105.5	S476	D469-S476 WeakPolarHBondContact OD1-CB 3.49Å; D469-S476 PolarHBondContact OD1-OG 2.79Å
470	N	38.7	Very low	40.4	Very low	132 Å²	132	100.9 Å²	100.9	71%	0.706	55%	0.551	S	S	*	*			trans	-160.6	150.4	140.4	-107.2	-24.6	0	0	0	116.2
471	N	37	Very low	39.2	Very low	131 Å²	131	98.4 Å²	98.4	70%	0.701	55%	0.545	S	S	*	.	S	Bend	trans	80.6	73.8	172.1	-59	-6.5	0	0	0	116.2	C473	N471-C473 PolarHBondContact O-N 3.37Å
472	G	36.4	Very low	38.3	Very low	93 Å²	93	98.2 Å²	98.2	96%	0.959	54%	0.544	S	S	*	.	S	Bend	trans	77.3	-7	140.8	0	0	0	0	0	119.1
473	C	33.5	Very low	37.2	Very low	86 Å²	86	97.3 Å²	97.3	58%	0.581	55%	0.553	S	S	*	*	S	Bend	trans	-111.3	0	179.8	103.5	0	0	0	0	115.5	N471 R475	N471-C473 PolarHBondContact O-N 3.37Å; C473-R475 PolarHBondContact O-N 3.01Å; C473-R475 VanDerWaalsContact O-N 3.12Å
474	G	31	Very low	36.5	Very low	77 Å²	77	100.2 Å²	100.2	79%	0.794	56%	0.561	S	S	*	*			trans	63.6	15.5	173.8	0	0	0	0	0	115.7
475	R	31.5	Very low	36	Very low	187 Å²	187	95 Å²	95	71%	0.706	54%	0.54	S	S	*	.			trans	-109.1	124.2	177.9	-64.7	-174.5	-172.8	-168.6	3	111.6	C473 Y477	C473-R475 PolarHBondContact O-N 3.01Å; C473-R475 VanDerWaalsContact O-N 3.12Å; R475-Y477 WeakPolarHBondContact O-CE2 3.34Å
476	S	31.5	Very low	35.5	Very low	26 Å²	26	95.7 Å²	95.7	18%	0.182	54%	0.541	C	S	.	.			trans	-111.5	142.7	-177	6.4	0	0	0	0	111.8	K466 D469	K466-S476 VanDerWaalsContact CD-CB 3.43Å; K466-S476 WeakPolarHBondContact CD-OG 3.47Å; K466-S476 WeakPolarHBondContact CE-OG 3.4Å; K466-S476 PolarHBondContact NZ-OG 3.49Å; D469-S476 WeakPolarHBondContact OD1-CB 3.49Å; D469-S476 PolarHBondContact OD1-OG 2.79Å
477	Y	38.3	Very low	35	Very low	96 Å²	96	93.3 Å²	93.3	38%	0.376	54%	0.536	S	S	.	.			trans	-122.2	154.2	-170.2	-54	-78.1	0	0	0	113.1	R475 L481	R475-Y477 WeakPolarHBondContact O-CE2 3.34Å; Y477-L481 HydrophobicContact CD2-CD2 4.08Å
478	K	34.8	Very low	34.7	Very low	111 Å²	111	97.3 Å²	97.3	48%	0.483	55%	0.554	S	S	.	*	S	Bend	trans	-92.6	8.6	-176	-59.4	-168.9	177.5	-151.7	0	114.7	R460 I461	R460-K478 WeakPolarHBondContact O-CD 3.48Å; R460-K478 PolarHBondContact O-NZ 3.38Å; I461-K478 PolarHBondContact O-NZ 2.93Å
479	S	33.5	Very low	34.4	Very low	85 Å²	85	100.4 Å²	100.4	59%	0.594	58%	0.581	S	S	*	*	S	Bend	trans	-148.8	160.3	-176.7	-64.8	0	0	0	0	112.1	L481	S479-L481 PolarHBondContact O-N 3.34Å
480	P	34.6	Very low	34.1	Very low	106 Å²	106	104.3 Å²	104.3	69%	0.688	60%	0.596	S	S	*	*			trans	-56.9	131	-173.7	-23.3	32.9	0	0	0	112.8	I482	P480-I482 HydrophobicContact CB-CD1 4.49Å; P480-I482 PolarHBondContact O-N 3.43Å
481	L	35.9	Very low	33.8	Very low	40 Å²	40	105.6 Å²	105.6	21%	0.209	60%	0.6	C	S	.	*	T	Hydrogen-bonded Turn	trans	-59.4	-7.7	-174	-81.2	153.2	0	0	0	115.8	C468 Y477 S479 G483 H484	C468-L481 HydrophobicContact CB-CD1 3.89Å; Y477-L481 HydrophobicContact CD2-CD2 4.08Å; S479-L481 PolarHBondContact O-N 3.34Å; L481-G483 PolarHBondContact O-N 3.29Å; L481-H484 PolarHBondContact O-N 3.21Å
482	I	35.4	Very low	33.7	Very low	94 Å²	94	105.2 Å²	105.2	48%	0.482	59%	0.594	S	S	.	*	H	α-helix	trans	-55.6	-30.9	-172.9	-60.2	172.6	0	0	0	112.9	P480 H484	P480-I482 HydrophobicContact CB-CD1 4.49Å; P480-I482 PolarHBondContact O-N 3.43Å; I482-H484 VanDerWaalsContact C-N 3.32Å; I482-H484 PolarHBondContact O-N 3.42Å
483	G	32.9	Very low	33.6	Very low	49 Å²	49	108.3 Å²	108.3	51%	0.505	59%	0.588	S	S	.	*	H	α-helix	trans	-71.8	-19.8	-179.6	0	0	0	0	0	115.1	L481	L481-G483 PolarHBondContact O-N 3.29Å
484	H	35.6	Very low	33.1	Very low	124 Å²	124	107.1 Å²	107.1	57%	0.574	58%	0.58	S	S	*	*	H	α-helix	trans	-97.4	-17.1	-172.6	-147.6	-57.4	0	0	0	113.8	L481 I482	L481-H484 PolarHBondContact O-N 3.21Å; I482-H484 VanDerWaalsContact C-N 3.32Å; I482-H484 PolarHBondContact O-N 3.42Å
485	Q	34	Very low	33.1	Very low	91 Å²	91	107.3 Å²	107.3	43%	0.425	58%	0.582	S	S	.	*	H	α-helix	trans	-100.7	-11	-178.5	-65.7	-173.5	6.3	0	0	114.2	T487	Q485-T487 PolarHBondContact O-N 3.19Å; Q485-T487 VanDerWaalsContact O-N 3.1Å
486	K	31.3	Very low	33.3	Very low	170 Å²	170	101.8 Å²	101.8	74%	0.739	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	27.5	174	-79.6	-168	173.7	-167.8	0	113.4	D488	K486-D488 VanDerWaalsContact C-N 3.25Å; K486-D488 PolarHBondContact O-N 2.88Å
487	T	33.7	Very low	33.2	Very low	67 Å²	67	103.3 Å²	103.3	41%	0.411	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-12.2	-179.2	45.7	0	0	0	0	113.6	Q485	Q485-T487 PolarHBondContact O-N 3.19Å; Q485-T487 VanDerWaalsContact O-N 3.1Å
488	D	33.2	Very low	32.9	Very low	146 Å²	146	107.6 Å²	107.6	78%	0.781	62%	0.617	S	S	*	*	S	Bend	trans	-111.6	-1.7	-161.9	-59.3	-2.2	0	0	0	114.9	K486	K486-D488 VanDerWaalsContact C-N 3.25Å; K486-D488 PolarHBondContact O-N 2.88Å
489	A	34.1	Very low	33	Very low	89 Å²	89	108.6 Å²	108.6	74%	0.736	62%	0.619	S	S	*	*	S	Bend	trans	-120.2	-2.2	-167.4	0	0	0	0	0	117.5
490	E	29.5	Very low	33.1	Very low	190 Å²	190	106.5 Å²	106.5	89%	0.888	61%	0.611	S	S	*	*			trans	-137.3	79.3	176.2	-72.1	179.5	173.1	0	0	110.2
491	M	32.1	Very low	33.4	Very low	160 Å²	160	108 Å²	108	79%	0.788	61%	0.607	S	S	*	*			trans	-115.8	93.2	174.4	-166.7	-174	-53.5	0	0	109
492	E	34.3	Very low	33.4	Very low	123 Å²	123	111.8 Å²	111.8	58%	0.575	63%	0.631	S	S	*	*			trans	-125.8	119.4	163.5	-82.7	-76.4	146.5	0	0	107.1
493	L	34.4	Very low	33.7	Very low	157 Å²	157	111.1 Å²	111.1	82%	0.822	64%	0.635	S	S	*	*	S	Bend	trans	84.4	21.3	160.9	-54.8	172.8	0	0	0	121.6
494	C	24.4	Very low	34.4	Very low	61 Å²	61	113.4 Å²	113.4	41%	0.412	63%	0.633	S	S	.	*			trans	-146.3	112.4	163	-146.5	0	0	0	0	113.2	G496	C494-G496 PolarHBondContact O-N 3.45Å; C494-G496 VanDerWaalsContact O-N 3.15Å
495	G	31	Very low	34.9	Very low	82 Å²	82	111.6 Å²	111.6	85%	0.845	63%	0.627	S	S	*	*	S	Bend	trans	-55.8	117.3	170.1	0	0	0	0	0	110.8
496	G	35.4	Very low	35.8	Very low	71 Å²	71	113.7 Å²	113.7	73%	0.732	63%	0.634	S	S	*	*	S	Bend	trans	61.1	74.4	156.6	0	0	0	0	0	117.1	C494	C494-G496 PolarHBondContact O-N 3.45Å; C494-G496 VanDerWaalsContact O-N 3.15Å
497	S	28.6	Very low	36.7	Very low	58 Å²	58	106.1 Å²	106.1	41%	0.406	61%	0.605	S	S	.	*			trans	-162	115.5	140.5	41.1	0	0	0	0	111.4	Y499	S497-Y499 VanDerWaalsContact CB-CE2 3.44Å; S497-Y499 WeakPolarHBondContact O-CD2 3.47Å; S497-Y499 PolarHBondContact O-N 2.99Å; S497-Y499 WeakPolarHBondContact OG-CE2 3.27Å
498	E	33.2	Very low	37.6	Very low	185 Å²	185	104.9 Å²	104.9	86%	0.864	59%	0.594	S	S	*	*			trans	-59.8	112.2	176	-71	175.5	146.9	0	0	111.2
499	Y	36.4	Very low	38.2	Very low	132 Å²	132	102.3 Å²	102.3	52%	0.518	58%	0.578	S	S	.	*			trans	-129.1	84.9	172.3	-62.3	-57.9	0	0	0	111.8	S497 K501	S497-Y499 VanDerWaalsContact CB-CE2 3.44Å; S497-Y499 WeakPolarHBondContact O-CD2 3.47Å; S497-Y499 PolarHBondContact O-N 2.99Å; S497-Y499 WeakPolarHBondContact OG-CE2 3.27Å; Y499-K501 VanDerWaalsContact C-N 3.27Å; Y499-K501 PolarHBondContact O-N 3.09Å
500	G	36	Very low	39.2	Very low	42 Å²	42	101.6 Å²	101.6	43%	0.433	56%	0.556	S	S	.	*			trans	-73.7	36.4	-175.6	0	0	0	0	0	117.9
501	K	39.6	Very low	40.3	Very low	138 Å²	138	97.2 Å²	97.2	60%	0.6	54%	0.538	S	S	*	.			trans	-142.2	133.9	169.3	-68.1	-174.9	-177.7	173.8	0	111.6	Y499 S503 H504 L505	Y499-K501 VanDerWaalsContact C-N 3.27Å; Y499-K501 PolarHBondContact O-N 3.09Å; K501-S503 PolarHBondContact O-N 3.14Å; K501-S503 VanDerWaalsContact O-N 3.12Å; K501-H504 HydrophobicContact CB-CB 4.44Å; K501-H504 WeakPolarHBondContact O-CA 3.42Å; K501-H504 WeakPolarHBondContact O-CB 2.94Å; K501-H504 PolarHBondContact O-N 3.33Å; K501-L505 PolarHBondContact O-N 3.18Å
502	T	35.5	Very low	40.9	Very low	118 Å²	118	95 Å²	95	72%	0.724	53%	0.528	S	S	*	.	H	α-helix	trans	-57.2	-27.6	176.9	52.4	0	0	0	0	113.8	K506	T502-K506 PolarHBondContact O-N 3.17Å
503	S	43.5	Very low	41.4	Very low	81 Å²	81	95.5 Å²	95.5	57%	0.566	53%	0.532	S	S	*	.	H	α-helix	trans	-73.2	-29.4	172.3	56.2	0	0	0	0	113.6	K501 G507	K501-S503 PolarHBondContact O-N 3.14Å; K501-S503 VanDerWaalsContact O-N 3.12Å; S503-G507 PolarHBondContact O-N 2.91Å
504	H	47.6	Very low	42.3	Very low	97 Å²	97	90.5 Å²	90.5	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-76.5	-35.9	172	-76.7	144	0	0	0	111.7	K501 G507 H508	K501-H504 HydrophobicContact CB-CB 4.44Å; K501-H504 WeakPolarHBondContact O-CA 3.42Å; K501-H504 WeakPolarHBondContact O-CB 2.94Å; K501-H504 PolarHBondContact O-N 3.33Å; H504-G507 CarbonylContact O-C 3.49Å; H504-G507 WeakPolarHBondContact O-CA 3.23Å; H504-G507 PolarHBondContact O-N 3.1Å; H504-G507 VanDerWaalsContact O-N 3.13Å; H504-H508 WeakPolarHBondContact O-CB 3.13Å; H504-H508 PolarHBondContact O-N 3.34Å
505	L	45.3	Very low	43.8	Very low	86 Å²	86	92.1 Å²	92.1	45%	0.45	52%	0.52	S	S	.	.	H	α-helix	trans	-61.6	-46.8	174.3	-167.1	73.9	0	0	0	111.5	K501 G507 H508 Q509	K501-L505 PolarHBondContact O-N 3.18Å; L505-G507 VanDerWaalsContact C-N 3.26Å; L505-G507 PolarHBondContact O-N 3.33Å; L505-H508 PolarHBondContact O-N 3.12Å; L505-H508 VanDerWaalsContact O-N 3.13Å; L505-Q509 WeakPolarHBondContact O-CB 3.02Å; L505-Q509 WeakPolarHBondContact O-CG 3.33Å; L505-Q509 PolarHBondContact O-N 2.86Å
506	K	53.2	Low	45.7	Very low	134 Å²	134	93.9 Å²	93.9	58%	0.583	51%	0.505	S	S	*	.	H	α-helix	trans	-59.8	-37	172.4	-71.8	-177.9	-179.7	-175.3	0	112.4	T502 R510	T502-K506 PolarHBondContact O-N 3.17Å; K506-R510 VanDerWaalsContact O-CG 3.32Å; K506-R510 WeakPolarHBondContact O-CG 3.48Å; K506-R510 PolarHBondContact O-N 3.45Å; K506-R510 VanDerWaalsContact O-N 3.14Å
507	G	50.7	Low	47.5	Very low	12 Å²	12	94 Å²	94	12%	0.124	49%	0.493	C	S	.	.	H	α-helix	trans	-68.3	-35.8	175.4	0	0	0	0	0	113.3	S503 H504 L505 I511	S503-G507 PolarHBondContact O-N 2.91Å; H504-G507 CarbonylContact O-C 3.49Å; H504-G507 WeakPolarHBondContact O-CA 3.23Å; H504-G507 PolarHBondContact O-N 3.1Å; H504-G507 VanDerWaalsContact O-N 3.13Å; L505-G507 VanDerWaalsContact C-N 3.26Å; L505-G507 PolarHBondContact O-N 3.33Å; G507-I511 WeakPolarHBondContact O-CG1 3.49Å; G507-I511 PolarHBondContact O-N 2.94Å
508	H	51.9	Low	50.1	Low	40 Å²	40	94.5 Å²	94.5	19%	0.185	49%	0.486	C	S	.	.	H	α-helix	trans	-73.1	-43.2	176.2	-179.3	84.9	0	0	0	111.3	H504 L505 R510 I511 L512	H504-H508 WeakPolarHBondContact O-CB 3.13Å; H504-H508 PolarHBondContact O-N 3.34Å; L505-H508 PolarHBondContact O-N 3.12Å; L505-H508 VanDerWaalsContact O-N 3.13Å; H508-R510 VanDerWaalsContact C-N 3.29Å; H508-R510 PolarHBondContact O-N 3.28Å; H508-I511 WeakPolarHBondContact O-CA 3.39Å; H508-I511 WeakPolarHBondContact O-CB 3.44Å; H508-I511 PolarHBondContact O-N 3.45Å; H508-L512 PolarHBondContact O-N 3.46Å
509	Q	46	Very low	52.4	Low	92 Å²	92	91.3 Å²	91.3	43%	0.43	47%	0.471	S	S	.	.	H	α-helix	trans	-56.4	-40.7	172.5	-74.6	173.3	-25	0	0	112	L505 I511 L512 M513	L505-Q509 WeakPolarHBondContact O-CB 3.02Å; L505-Q509 WeakPolarHBondContact O-CG 3.33Å; L505-Q509 PolarHBondContact O-N 2.86Å; Q509-I511 VanDerWaalsContact C-N 3.28Å; Q509-I511 PolarHBondContact O-N 3.08Å; Q509-L512 PolarHBondContact O-N 2.94Å; Q509-M513 WeakPolarHBondContact O-CB 3.48Å; Q509-M513 WeakPolarHBondContact O-CG 3.36Å; Q509-M513 PolarHBondContact O-N 3.41Å
510	R	53.8	Low	54.8	Low	74 Å²	74	85 Å²	85	28%	0.279	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-33.1	172.8	-73.2	175.9	-161.3	175.8	1.1	113.5	K506 H508 G514 E515 Y518	K506-R510 VanDerWaalsContact O-CG 3.32Å; K506-R510 WeakPolarHBondContact O-CG 3.48Å; K506-R510 PolarHBondContact O-N 3.45Å; K506-R510 VanDerWaalsContact O-N 3.14Å; H508-R510 VanDerWaalsContact C-N 3.29Å; H508-R510 PolarHBondContact O-N 3.28Å; R510-G514 CarbonylContact O-C 3.58Å; R510-G514 PolarHBondContact O-N 3.48Å; R510-E515 HydrophobicContact CB-CB 4.19Å; R510-E515 HydrophobicContact CG-CB 4.18Å; R510-E515 PolarHBondContact O-N 3.42Å; R510-Y518 PolarHBondContact NH1-OH 3.44Å
511	I	53.1	Low	57.2	Low	98 Å²	98	90.9 Å²	90.9	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-70.7	-44.3	176.1	-63.6	167.9	0	0	0	109.7	G507 H508 Q509 M513 G514	G507-I511 WeakPolarHBondContact O-CG1 3.49Å; G507-I511 PolarHBondContact O-N 2.94Å; H508-I511 WeakPolarHBondContact O-CA 3.39Å; H508-I511 WeakPolarHBondContact O-CB 3.44Å; H508-I511 PolarHBondContact O-N 3.45Å; Q509-I511 VanDerWaalsContact C-N 3.28Å; Q509-I511 PolarHBondContact O-N 3.08Å; I511-M513 VanDerWaalsContact C-N 3.34Å; I511-M513 PolarHBondContact O-N 3.35Å; I511-G514 PolarHBondContact O-N 2.89Å
512	L	44.3	Very low	59.3	Low	113 Å²	113	90 Å²	90	59%	0.592	46%	0.464	S	S	*	.	H	α-helix	trans	-63.5	-37.6	176.8	-66.1	176.9	0	0	0	112.5	H508 Q509 G514	H508-L512 PolarHBondContact O-N 3.46Å; Q509-L512 PolarHBondContact O-N 2.94Å; L512-G514 VanDerWaalsContact C-N 3.33Å
513	M	45.7	Very low	61.7	Low	134 Å²	134	86.9 Å²	86.9	66%	0.66	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.8	177.6	-65.1	-179.1	65.2	0	0	113.7	Q509 I511 E515	Q509-M513 WeakPolarHBondContact O-CB 3.48Å; Q509-M513 WeakPolarHBondContact O-CG 3.36Å; Q509-M513 PolarHBondContact O-N 3.41Å; I511-M513 VanDerWaalsContact C-N 3.34Å; I511-M513 PolarHBondContact O-N 3.35Å; M513-E515 HydrophobicContact CB-CG 4.11Å; M513-E515 PolarHBondContact O-N 2.93Å; M513-E515 VanDerWaalsContact O-N 3.17Å
514	G	53.3	Low	63.5	Low	53 Å²	53	85 Å²	85	55%	0.546	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	8.9	-177.5	0	0	0	0	0	115.1	R510 I511 L512 K516	R510-G514 CarbonylContact O-C 3.58Å; R510-G514 PolarHBondContact O-N 3.48Å; I511-G514 PolarHBondContact O-N 2.89Å; L512-G514 VanDerWaalsContact C-N 3.33Å; G514-K516 PolarHBondContact O-N 3.48Å
515	E	55.2	Low	65.1	Low	94 Å²	94	86.4 Å²	86.4	44%	0.439	45%	0.445	S	S	.	.			trans	-67.2	119.2	179.8	-67.9	-173	172.4	0	0	110.9	R510 M513 P517	R510-E515 HydrophobicContact CB-CB 4.19Å; R510-E515 HydrophobicContact CG-CB 4.18Å; R510-E515 PolarHBondContact O-N 3.42Å; M513-E515 HydrophobicContact CB-CG 4.11Å; M513-E515 PolarHBondContact O-N 2.93Å; M513-E515 VanDerWaalsContact O-N 3.17Å; E515-P517 WeakPolarHBondContact O-CD 3.39Å
516	K	71.4	Confident	66.7	Low	119 Å²	119	85 Å²	85	52%	0.517	44%	0.44	S	S	.	.			trans	-121.8	77.1	175.1	-67.4	176	177.2	-179.8	0	110.3	G514 Y518 T526 F527	G514-K516 PolarHBondContact O-N 3.48Å; K516-Y518 PolarHBondContact O-N 3.42Å; K516-Y518 VanDerWaalsContact O-N 3.1Å; K516-T526 WeakPolarHBondContact CB-OG1 3.47Å; K516-T526 WeakPolarHBondContact CD-OG1 3.43Å; K516-F527 CarbonylContact C-O 3.58Å; K516-F527 VanDerWaalsContact C-O 3.28Å; K516-F527 WeakPolarHBondContact CA-O 3.34Å
517	P	74.1	Confident	68	Low	75 Å²	75	80.4 Å²	80.4	49%	0.487	42%	0.42	S	S	.	.			trans	-70.7	-9.9	-169.6	-17.7	32.1	0	0	0	114.5	E515	E515-P517 WeakPolarHBondContact O-CD 3.39Å
518	Y	82.1	Confident	69.1	Low	67 Å²	67	81 Å²	81	26%	0.263	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	102.5	-170.6	-53.8	-67.4	0	0	0	110.1	R510 K516 T526 F527 S528 T530	R510-Y518 PolarHBondContact NH1-OH 3.44Å; K516-Y518 PolarHBondContact O-N 3.42Å; K516-Y518 VanDerWaalsContact O-N 3.1Å; Y518-T526 CarbonylContact O-C 3.54Å; Y518-T526 WeakPolarHBondContact O-CA 3.24Å; Y518-F527 WeakPolarHBondContact CB-O 3.4Å; Y518-F527 WeakPolarHBondContact CD2-O 3.42Å; Y518-F527 PolarHBondContact N-O 2.69Å; Y518-F527 VanDerWaalsContact N-O 3.16Å; Y518-F527 PolarHBondContact O-N 2.81Å; Y518-S528 WeakPolarHBondContact CE2-O 3.29Å; Y518-T530 HydrophobicContact CD1-CG2 3.59Å; Y518-T530 HydrophobicContact CD2-CG2 4.25Å; Y518-T530 HydrophobicContact CE1-CG2 3.24Å; Y518-T530 HydrophobicContact CE2-CG2 3.95Å; Y518-T530 HydrophobicContact CG-CG2 4.08Å; Y518-T530 VanDerWaalsContact CZ-CG2 3.44Å
519	E	82.2	Confident	70.2	Confident	118 Å²	118	82.8 Å²	82.8	55%	0.551	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.1	-178.9	-170.2	176.5	168.2	0	0	112.2	T526	E519-T526 HydrophobicContact CB-CG2 4.01Å; E519-T526 HydrophobicContact CG-CG2 3.93Å
520	C	87.4	Confident	71.7	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	43%	0.434	C	S	.	.			trans	-83.8	115.2	168.2	176.7	0	0	0	0	109.9	E522 C523 G524 K525 F527 L533 H536 H540	C520-E522 PolarHBondContact O-N 2.87Å; C520-C523 PolarHBondContact O-N 3.2Å; C520-C523 VanDerWaalsContact SG-SG 3.61Å; C520-G524 VanDerWaalsContact O-CA 3.28Å; C520-G524 WeakPolarHBondContact O-CA 3.3Å; C520-G524 PolarHBondContact O-N 3.14Å; C520-K525 WeakPolarHBondContact CB-O 3.3Å; C520-K525 PolarHBondContact N-O 3.1Å; C520-F527 HydrophobicContact CB-CE2 4.23Å; C520-L533 HydrophobicContact CB-CD1 3.69Å; C520-H536 PolarHBondContact SG-NE2 3.4Å; C520-H540 PolarHBondContact SG-NE2 2.84Å; C520-H540 VanDerWaalsContact SG-NE2 3.39Å
521	I	85.4	Confident	72.9	Confident	166 Å²	166	82.3 Å²	82.3	85%	0.851	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.9	-178.8	-58.6	171.8	0	0	0	112
522	E	83	Confident	74.4	Confident	118 Å²	118	82 Å²	82	55%	0.551	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-25.2	-175.8	-66.8	168.4	144.7	0	0	113.6	C520 H540	C520-E522 PolarHBondContact O-N 2.87Å; E522-H540 WeakPolarHBondContact OE2-CB 3.41Å; E522-H540 IonicContact OE2-CD2 2.91Å; E522-H540 PolarHBondContact OE2-CD2 3.23Å; E522-H540 IonicContact OE2-CG 3.07Å; E522-H540 IonicContact OE2-NE2 3.96Å
523	C	86.6	Confident	76.3	Confident	54 Å²	54	77.8 Å²	77.8	37%	0.365	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.1	7.4	-176.6	72.3	0	0	0	0	115.5	C520 K525 H536 H540	C520-C523 PolarHBondContact O-N 3.2Å; C520-C523 VanDerWaalsContact SG-SG 3.61Å; C523-K525 PolarHBondContact O-N 3.43Å; C523-K525 VanDerWaalsContact O-N 3.08Å; C523-H536 PolarHBondContact SG-NE2 3.34Å; C523-H540 PolarHBondContact SG-NE2 3.03Å; C523-H540 VanDerWaalsContact SG-NE2 3.4Å
524	G	80.3	Confident	78.1	Confident	40 Å²	40	80 Å²	80	41%	0.412	42%	0.419	S	S	.	.			trans	67.3	3.9	179.2	0	0	0	0	0	115.3	C520 T526	C520-G524 VanDerWaalsContact O-CA 3.28Å; C520-G524 WeakPolarHBondContact O-CA 3.3Å; C520-G524 PolarHBondContact O-N 3.14Å; G524-T526 PolarHBondContact O-N 3.39Å
525	K	82.8	Confident	79.5	Confident	127 Å²	127	78.3 Å²	78.3	55%	0.552	40%	0.401	S	S	*	.			trans	-71.8	130.8	-179	-74.4	-178.6	-178.4	175.6	0	111	C520 C523 F527	C520-K525 WeakPolarHBondContact CB-O 3.3Å; C520-K525 PolarHBondContact N-O 3.1Å; C523-K525 PolarHBondContact O-N 3.43Å; C523-K525 VanDerWaalsContact O-N 3.08Å; K525-F527 HydrophobicContact CB-CE2 3.93Å; K525-F527 HydrophobicContact CB-CZ 3.96Å; K525-F527 VanDerWaalsContact O-CE2 3.25Å; K525-F527 WeakPolarHBondContact O-CE2 3.48Å
526	T	78.6	Confident	81	Confident	57 Å²	57	74.7 Å²	74.7	35%	0.35	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.9	-179.3	59.9	0	0	0	0	112.4	K516 Y518 E519 G524	K516-T526 WeakPolarHBondContact CB-OG1 3.47Å; K516-T526 WeakPolarHBondContact CD-OG1 3.43Å; Y518-T526 CarbonylContact O-C 3.54Å; Y518-T526 WeakPolarHBondContact O-CA 3.24Å; E519-T526 HydrophobicContact CB-CG2 4.01Å; E519-T526 HydrophobicContact CG-CG2 3.93Å; G524-T526 PolarHBondContact O-N 3.39Å
527	F	80.7	Confident	81.6	Confident	38 Å²	38	72.8 Å²	72.8	17%	0.167	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.6	-176.4	-57.6	-86.6	0	0	0	111	K516 Y518 C520 K525 H532 L533 H536	K516-F527 CarbonylContact C-O 3.58Å; K516-F527 VanDerWaalsContact C-O 3.28Å; K516-F527 WeakPolarHBondContact CA-O 3.34Å; Y518-F527 WeakPolarHBondContact CB-O 3.4Å; Y518-F527 WeakPolarHBondContact CD2-O 3.42Å; Y518-F527 PolarHBondContact N-O 2.69Å; Y518-F527 VanDerWaalsContact N-O 3.16Å; Y518-F527 PolarHBondContact O-N 2.81Å; C520-F527 HydrophobicContact CB-CE2 4.23Å; K525-F527 HydrophobicContact CB-CE2 3.93Å; K525-F527 HydrophobicContact CB-CZ 3.96Å; K525-F527 VanDerWaalsContact O-CE2 3.25Å; K525-F527 WeakPolarHBondContact O-CE2 3.48Å; F527-H532 HydrophobicContact CB-CB 4.18Å; F527-H532 HydrophobicContact CD1-CB 3.89Å; F527-H532 HydrophobicContact CG-CB 4.29Å; F527-L533 HydrophobicContact CB-CB 4.28Å; F527-L533 HydrophobicContact CD2-CB 3.85Å; F527-L533 HydrophobicContact CD2-CD1 3.71Å; F527-L533 HydrophobicContact CD2-CG 4.39Å; F527-L533 HydrophobicContact CE2-CD1 3.89Å; F527-L533 HydrophobicContact CG-CB 4.23Å; F527-H536 HydrophobicContact CE1-CB 3.86Å; F527-H536 HydrophobicContact CE2-CB 3.86Å; F527-H536 AromaticContact CE2-CD2 3.45Å; F527-H536 VanDerWaalsContact CE2-CD2 3.45Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.28Å; F527-H536 AromaticContact CE2-CG 3.64Å; F527-H536 HydrophobicContact CZ-CB 3.37Å; F527-H536 AromaticContact CZ-CD2 3.45Å; F527-H536 VanDerWaalsContact CZ-CD2 3.45Å; F527-H536 WeakPolarHBondContact CZ-CD2 3.42Å; F527-H536 AromaticContact CZ-CG 3.15Å; F527-H536 AromaticContact CZ-ND1 3.64Å
528	S	73.9	Confident	82.3	Confident	23 Å²	23	71.2 Å²	71.2	16%	0.161	36%	0.361	C	S	.	.	S	Bend	trans	-82.3	-16.2	177.6	56.3	0	0	0	0	113.7	Y518	Y518-S528 WeakPolarHBondContact CE2-O 3.29Å
529	K	74.8	Confident	82.5	Confident	78 Å²	78	73.8 Å²	73.8	34%	0.339	38%	0.378	S	S	.	.	S	Bend	trans	-133	140.7	-179.3	-62.1	-177.9	-176.5	176.4	0	111.1	S531 H532 L533	K529-S531 VanDerWaalsContact C-N 3.27Å; K529-S531 PolarHBondContact O-N 3.41Å; K529-H532 HydrophobicContact CB-CB 4.48Å; K529-H532 PolarHBondContact O-N 2.73Å; K529-H532 VanDerWaalsContact O-N 3.13Å; K529-L533 PolarHBondContact O-N 3.28Å
530	T	77.2	Confident	82.6	Confident	86 Å²	86	71.7 Å²	71.7	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-35.9	174.6	50.8	0	0	0	0	112.7	Y518 H532 L533 R534	Y518-T530 HydrophobicContact CD1-CG2 3.59Å; Y518-T530 HydrophobicContact CD2-CG2 4.25Å; Y518-T530 HydrophobicContact CE1-CG2 3.24Å; Y518-T530 HydrophobicContact CE2-CG2 3.95Å; Y518-T530 HydrophobicContact CG-CG2 4.08Å; Y518-T530 VanDerWaalsContact CZ-CG2 3.44Å; T530-H532 VanDerWaalsContact C-N 3.29Å; T530-H532 PolarHBondContact O-N 2.99Å; T530-L533 PolarHBondContact O-N 3.18Å; T530-R534 PolarHBondContact O-N 2.69Å
531	S	79.8	Confident	82.4	Confident	70 Å²	70	75.5 Å²	75.5	49%	0.49	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-35.2	176.9	56	0	0	0	0	112.6	K529 A535	K529-S531 VanDerWaalsContact C-N 3.27Å; K529-S531 PolarHBondContact O-N 3.41Å; S531-A535 WeakPolarHBondContact O-CB 3.23Å; S531-A535 PolarHBondContact O-N 3.34Å
532	H	83.4	Confident	82.3	Confident	91 Å²	91	69.9 Å²	69.9	42%	0.421	37%	0.374	S	S	.	.	H	α-helix	trans	-72.6	-42.1	176.8	-64.4	179.5	0	0	0	111	F527 K529 T530 A535 H536	F527-H532 HydrophobicContact CB-CB 4.18Å; F527-H532 HydrophobicContact CD1-CB 3.89Å; F527-H532 HydrophobicContact CG-CB 4.29Å; K529-H532 HydrophobicContact CB-CB 4.48Å; K529-H532 PolarHBondContact O-N 2.73Å; K529-H532 VanDerWaalsContact O-N 3.13Å; T530-H532 VanDerWaalsContact C-N 3.29Å; T530-H532 PolarHBondContact O-N 2.99Å; H532-A535 PolarHBondContact O-N 3.37Å; H532-H536 VanDerWaalsContact O-CB 3.32Å; H532-H536 WeakPolarHBondContact O-CB 3.27Å; H532-H536 PolarHBondContact O-N 2.99Å
533	L	84.4	Confident	82.4	Confident	25 Å²	25	69.7 Å²	69.7	13%	0.131	37%	0.373	C	S	.	.	H	α-helix	trans	-58.2	-48.9	173	173.1	61.6	0	0	0	111.1	C520 F527 K529 T530 A535 H536 Q537	C520-L533 HydrophobicContact CB-CD1 3.69Å; F527-L533 HydrophobicContact CB-CB 4.28Å; F527-L533 HydrophobicContact CD2-CB 3.85Å; F527-L533 HydrophobicContact CD2-CD1 3.71Å; F527-L533 HydrophobicContact CD2-CG 4.39Å; F527-L533 HydrophobicContact CE2-CD1 3.89Å; F527-L533 HydrophobicContact CG-CB 4.23Å; K529-L533 PolarHBondContact O-N 3.28Å; T530-L533 PolarHBondContact O-N 3.18Å; L533-A535 VanDerWaalsContact C-N 3.31Å; L533-A535 PolarHBondContact O-N 3.15Å; L533-H536 WeakPolarHBondContact O-CB 3.47Å; L533-H536 PolarHBondContact O-N 3.22Å; L533-H536 VanDerWaalsContact O-N 3.12Å; L533-Q537 HydrophobicContact CD1-CG 4.27Å; L533-Q537 WeakPolarHBondContact O-CG 3.31Å; L533-Q537 PolarHBondContact O-N 3.02Å
534	R	83.1	Confident	82.5	Confident	180 Å²	180	72.7 Å²	72.7	68%	0.679	38%	0.38	S	S	*	.	H	α-helix	trans	-62	-38.7	179.1	-172	177	-179.7	-174.1	1	112.6	T530	T530-R534 PolarHBondContact O-N 2.69Å
535	A	82.6	Confident	82.7	Confident	19 Å²	19	74.5 Å²	74.5	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-68.1	-38	175.5	0	0	0	0	0	111.8	S531 H532 L533 R538	S531-A535 WeakPolarHBondContact O-CB 3.23Å; S531-A535 PolarHBondContact O-N 3.34Å; H532-A535 PolarHBondContact O-N 3.37Å; L533-A535 VanDerWaalsContact C-N 3.31Å; L533-A535 PolarHBondContact O-N 3.15Å; A535-R538 WeakPolarHBondContact O-CB 3.47Å; A535-R538 PolarHBondContact O-N 3.44Å
536	H	86.9	Confident	83.1	Confident	17 Å²	17	71.8 Å²	71.8	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-65.4	-39.6	175.5	169.4	71.4	0	0	0	112.8	C520 C523 F527 H532 L533 R538 I539 H540	C520-H536 PolarHBondContact SG-NE2 3.4Å; C523-H536 PolarHBondContact SG-NE2 3.34Å; F527-H536 HydrophobicContact CE1-CB 3.86Å; F527-H536 HydrophobicContact CE2-CB 3.86Å; F527-H536 AromaticContact CE2-CD2 3.45Å; F527-H536 VanDerWaalsContact CE2-CD2 3.45Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.28Å; F527-H536 AromaticContact CE2-CG 3.64Å; F527-H536 HydrophobicContact CZ-CB 3.37Å; F527-H536 AromaticContact CZ-CD2 3.45Å; F527-H536 VanDerWaalsContact CZ-CD2 3.45Å; F527-H536 WeakPolarHBondContact CZ-CD2 3.42Å; F527-H536 AromaticContact CZ-CG 3.15Å; F527-H536 AromaticContact CZ-ND1 3.64Å; H532-H536 VanDerWaalsContact O-CB 3.32Å; H532-H536 WeakPolarHBondContact O-CB 3.27Å; H532-H536 PolarHBondContact O-N 2.99Å; L533-H536 WeakPolarHBondContact O-CB 3.47Å; L533-H536 PolarHBondContact O-N 3.22Å; L533-H536 VanDerWaalsContact O-N 3.12Å; H536-R538 PolarHBondContact O-N 3.42Å; H536-R538 VanDerWaalsContact O-N 3.1Å; H536-I539 VanDerWaalsContact O-CB 3.25Å; H536-I539 WeakPolarHBondContact O-CB 3.22Å; H536-I539 WeakPolarHBondContact O-CG1 3.37Å; H536-I539 PolarHBondContact O-N 3.11Å; H536-H540 AromaticContact CE1-NE2 3.69Å; H536-H540 AromaticContact NE2-CD2 3.93Å; H536-H540 AromaticContact NE2-NE2 3.18Å; H536-H540 PolarHBondContact NE2-NE2 3.16Å; H536-H540 VanDerWaalsContact NE2-NE2 3.18Å
537	Q	85.2	Confident	83.8	Confident	79 Å²	79	74.3 Å²	74.3	37%	0.369	38%	0.379	S	S	.	.	H	α-helix	trans	-56.7	-27	177.3	-76	173.8	-44.6	0	0	113	L533 I539 H540 T541	L533-Q537 HydrophobicContact CD1-CG 4.27Å; L533-Q537 WeakPolarHBondContact O-CG 3.31Å; L533-Q537 PolarHBondContact O-N 3.02Å; Q537-I539 PolarHBondContact O-N 3.11Å; Q537-I539 VanDerWaalsContact O-N 3.15Å; Q537-H540 PolarHBondContact O-N 3.25Å; Q537-T541 PolarHBondContact O-N 3.47Å; Q537-T541 VanDerWaalsContact O-N 3.14Å; Q537-T541 PolarHBondContact O-OG1 3.37Å
538	R	88	Confident	84.3	Confident	42 Å²	42	72.6 Å²	72.6	16%	0.158	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-18.8	174.5	-61.1	-180	-174.4	151.4	2.1	114	A535 H536 T541 G542 E543 S556	A535-R538 WeakPolarHBondContact O-CB 3.47Å; A535-R538 PolarHBondContact O-N 3.44Å; H536-R538 PolarHBondContact O-N 3.42Å; H536-R538 VanDerWaalsContact O-N 3.1Å; R538-T541 WeakPolarHBondContact CA-OG1 3.41Å; R538-G542 WeakPolarHBondContact O-CA 3.47Å; R538-G542 PolarHBondContact O-N 3.42Å; R538-E543 HydrophobicContact CG-CB 4.4Å; R538-E543 PolarHBondContact O-N 2.91Å; R538-S556 WeakPolarHBondContact CD-O 3.41Å; R538-S556 PolarHBondContact NH1-O 2.98Å
539	I	85.8	Confident	85.2	Confident	121 Å²	121	78.1 Å²	78.1	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-71	-36.9	175.8	-59.8	174.6	0	0	0	110.2	H536 Q537	H536-I539 VanDerWaalsContact O-CB 3.25Å; H536-I539 WeakPolarHBondContact O-CB 3.22Å; H536-I539 WeakPolarHBondContact O-CG1 3.37Å; H536-I539 PolarHBondContact O-N 3.11Å; Q537-I539 PolarHBondContact O-N 3.11Å; Q537-I539 VanDerWaalsContact O-N 3.15Å
540	H	84.1	Confident	85.9	Confident	75 Å²	75	80.5 Å²	80.5	35%	0.347	42%	0.416	S	S	.	.	H	α-helix	trans	-81.3	-41.3	-179.6	-58.5	-57.1	0	0	0	111.7	C520 E522 C523 H536 Q537 G542	C520-H540 PolarHBondContact SG-NE2 2.84Å; C520-H540 VanDerWaalsContact SG-NE2 3.39Å; E522-H540 WeakPolarHBondContact OE2-CB 3.41Å; E522-H540 IonicContact OE2-CD2 2.91Å; E522-H540 PolarHBondContact OE2-CD2 3.23Å; E522-H540 IonicContact OE2-CG 3.07Å; E522-H540 IonicContact OE2-NE2 3.96Å; C523-H540 PolarHBondContact SG-NE2 3.03Å; C523-H540 VanDerWaalsContact SG-NE2 3.4Å; H536-H540 AromaticContact CE1-NE2 3.69Å; H536-H540 AromaticContact NE2-CD2 3.93Å; H536-H540 AromaticContact NE2-NE2 3.18Å; H536-H540 PolarHBondContact NE2-NE2 3.16Å; H536-H540 VanDerWaalsContact NE2-NE2 3.18Å; Q537-H540 PolarHBondContact O-N 3.25Å; H540-G542 VanDerWaalsContact C-N 3.29Å; H540-G542 PolarHBondContact O-N 3.25Å
541	T	83.8	Confident	86.5	Confident	79 Å²	79	78.6 Å²	78.6	49%	0.485	41%	0.406	S	S	.	.	H	α-helix	trans	-77.4	-15.9	178.6	63.5	0	0	0	0	113.4	Q537 R538 E543	Q537-T541 PolarHBondContact O-N 3.47Å; Q537-T541 VanDerWaalsContact O-N 3.14Å; Q537-T541 PolarHBondContact O-OG1 3.37Å; R538-T541 WeakPolarHBondContact CA-OG1 3.41Å; T541-E543 PolarHBondContact O-N 3.09Å; T541-E543 WeakPolarHBondContact OG1-CG 3.48Å; T541-E543 PolarHBondContact OG1-N 3Å
542	G	84.6	Confident	87	Confident	48 Å²	48	82.1 Å²	82.1	50%	0.495	42%	0.415	S	S	.	.			trans	67.9	8	-173.4	0	0	0	0	0	114	R538 H540 K544	R538-G542 WeakPolarHBondContact O-CA 3.47Å; R538-G542 PolarHBondContact O-N 3.42Å; H540-G542 VanDerWaalsContact C-N 3.29Å; H540-G542 PolarHBondContact O-N 3.25Å; G542-K544 PolarHBondContact O-N 3.37Å
543	E	84.9	Confident	87.3	Confident	115 Å²	115	83.7 Å²	83.7	54%	0.537	42%	0.421	S	S	.	.			trans	-61.2	123.8	-179.6	-78	-177.8	-178.7	0	0	111.4	R538 T541 P545	R538-E543 HydrophobicContact CG-CB 4.4Å; R538-E543 PolarHBondContact O-N 2.91Å; T541-E543 PolarHBondContact O-N 3.09Å; T541-E543 WeakPolarHBondContact OG1-CG 3.48Å; T541-E543 PolarHBondContact OG1-N 3Å; E543-P545 WeakPolarHBondContact O-CD 3.15Å
544	K	87.1	Confident	87.5	Confident	117 Å²	117	85.3 Å²	85.3	51%	0.509	43%	0.431	S	S	.	.			trans	-123.9	78.8	175.5	-67.6	175.2	177.8	-177.1	0	110.3	G542 Y546 T554 F555	G542-K544 PolarHBondContact O-N 3.37Å; K544-Y546 PolarHBondContact O-N 2.91Å; K544-Y546 VanDerWaalsContact O-N 3.11Å; K544-T554 VanDerWaalsContact CD-OG1 3.31Å; K544-T554 WeakPolarHBondContact CD-OG1 3.15Å; K544-F555 CarbonylContact C-O 3.37Å; K544-F555 VanDerWaalsContact C-O 3.28Å; K544-F555 WeakPolarHBondContact CA-O 3.28Å
545	P	86	Confident	87.7	Confident	77 Å²	77	78.7 Å²	78.7	50%	0.5	41%	0.408	S	S	.	.			trans	-71.3	-7.9	-170.4	-17.6	32	0	0	0	114.7	E543	E543-P545 WeakPolarHBondContact O-CD 3.15Å
546	Y	91.2	Very high	87.8	Confident	71 Å²	71	79.3 Å²	79.3	28%	0.278	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	103.9	-171.3	-56.3	-73.7	0	0	0	109.9	K544 T554 F555 H557 K558	K544-Y546 PolarHBondContact O-N 2.91Å; K544-Y546 VanDerWaalsContact O-N 3.11Å; Y546-T554 CarbonylContact O-C 3.52Å; Y546-T554 WeakPolarHBondContact O-CA 3.42Å; Y546-F555 WeakPolarHBondContact CB-O 3.48Å; Y546-F555 WeakPolarHBondContact CD2-O 3.49Å; Y546-F555 PolarHBondContact N-O 3.46Å; Y546-F555 VanDerWaalsContact N-O 3.16Å; Y546-F555 PolarHBondContact O-N 2.92Å; Y546-H557 VanDerWaalsContact CD2-C 3.41Å; Y546-K558 HydrophobicContact CD1-CB 4.01Å; Y546-K558 HydrophobicContact CD1-CG 4.43Å; Y546-K558 HydrophobicContact CE1-CB 3.78Å; Y546-K558 HydrophobicContact CE1-CG 4.36Å; Y546-K558 HydrophobicContact CE2-CB 4.38Å; Y546-K558 HydrophobicContact CG-CB 4.4Å
547	E	92.5	Very high	87.7	Confident	110 Å²	110	81.5 Å²	81.5	51%	0.514	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.8	-178.5	-171.7	175.7	172	0	0	111.7	T554	E547-T554 HydrophobicContact CB-CG2 4.11Å; E547-T554 HydrophobicContact CG-CG2 3.98Å
548	C	92.2	Very high	87.7	Confident	2 Å²	2	84.9 Å²	84.9	1%	0.014	43%	0.434	C	S	.	.			trans	-83	119.2	168.5	-177.8	0	0	0	0	109.6	E550 E552 K553 F555 L561	C548-E550 PolarHBondContact O-N 3.04Å; C548-E552 WeakPolarHBondContact O-CA 3.33Å; C548-E552 PolarHBondContact O-N 3.35Å; C548-K553 WeakPolarHBondContact CB-O 3.43Å; C548-K553 PolarHBondContact N-O 3.4Å; C548-F555 HydrophobicContact CB-CE2 4.31Å; C548-L561 HydrophobicContact CB-CD1 3.75Å
549	V	91	Very high	87.5	Confident	138 Å²	138	87.2 Å²	87.2	84%	0.836	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.6	179.4	-177.8	0	0	0	0	112.4
550	E	89.3	Confident	87.5	Confident	128 Å²	128	86.1 Å²	86.1	60%	0.598	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-26.6	-175.1	-65.5	-172.3	-146.8	0	0	114.5	C548 H568	C548-E550 PolarHBondContact O-N 3.04Å; E550-H568 VanDerWaalsContact CB-CE1 3.48Å; E550-H568 WeakPolarHBondContact CB-CE1 3.27Å; E550-H568 WeakPolarHBondContact OE2-CB 3.49Å; E550-H568 IonicContact OE2-CE1 3.74Å; E550-H568 IonicContact OE2-CG 3.06Å; E550-H568 IonicContact OE2-ND1 2.8Å; E550-H568 PolarHBondContact OE2-ND1 2.63Å
551	C	90.8	Very high	87.7	Confident	46 Å²	46	83.6 Å²	83.6	31%	0.311	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	13.3	180	68.1	0	0	0	0	114.4	K553 H564 H568	C551-K553 PolarHBondContact O-N 3.05Å; C551-H564 PolarHBondContact SG-NE2 2.93Å; C551-H568 PolarHBondContact SG-NE2 3.3Å; C551-H568 VanDerWaalsContact SG-NE2 3.4Å
552	E	89.8	Confident	87.9	Confident	145 Å²	145	82.5 Å²	82.5	68%	0.678	43%	0.43	S	S	*	.			trans	56.9	12.3	176.6	-58.8	176.6	-178.4	0	0	114.2	C548 T554	C548-E552 WeakPolarHBondContact O-CA 3.33Å; C548-E552 PolarHBondContact O-N 3.35Å; E552-T554 PolarHBondContact O-N 3.28Å
553	K	89.6	Confident	87.9	Confident	124 Å²	124	82 Å²	82	54%	0.539	42%	0.417	S	S	.	.			trans	-71	129.3	177.4	-76.2	-178.7	-176.6	172	0	110.1	C548 C551 F555	C548-K553 WeakPolarHBondContact CB-O 3.43Å; C548-K553 PolarHBondContact N-O 3.4Å; C551-K553 PolarHBondContact O-N 3.05Å; K553-F555 HydrophobicContact CB-CE2 3.9Å; K553-F555 HydrophobicContact CB-CZ 4Å; K553-F555 WeakPolarHBondContact O-CD2 3.2Å; K553-F555 VanDerWaalsContact O-CE2 3.26Å; K553-F555 WeakPolarHBondContact O-CE2 3.27Å
554	T	89.6	Confident	88.1	Confident	58 Å²	58	77.6 Å²	77.6	36%	0.356	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.9	-179.7	60.1	0	0	0	0	112.1	K544 Y546 E547 E552	K544-T554 VanDerWaalsContact CD-OG1 3.31Å; K544-T554 WeakPolarHBondContact CD-OG1 3.15Å; Y546-T554 CarbonylContact O-C 3.52Å; Y546-T554 WeakPolarHBondContact O-CA 3.42Å; E547-T554 HydrophobicContact CB-CG2 4.11Å; E547-T554 HydrophobicContact CG-CG2 3.98Å; E552-T554 PolarHBondContact O-N 3.28Å
555	F	88	Confident	88.2	Confident	41 Å²	41	76.1 Å²	76.1	18%	0.18	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.8	-176.7	-58.3	-87.7	0	0	0	110.7	K544 Y546 C548 K553 H557 H560 L561 H564	K544-F555 CarbonylContact C-O 3.37Å; K544-F555 VanDerWaalsContact C-O 3.28Å; K544-F555 WeakPolarHBondContact CA-O 3.28Å; Y546-F555 WeakPolarHBondContact CB-O 3.48Å; Y546-F555 WeakPolarHBondContact CD2-O 3.49Å; Y546-F555 PolarHBondContact N-O 3.46Å; Y546-F555 VanDerWaalsContact N-O 3.16Å; Y546-F555 PolarHBondContact O-N 2.92Å; C548-F555 HydrophobicContact CB-CE2 4.31Å; K553-F555 HydrophobicContact CB-CE2 3.9Å; K553-F555 HydrophobicContact CB-CZ 4Å; K553-F555 WeakPolarHBondContact O-CD2 3.2Å; K553-F555 VanDerWaalsContact O-CE2 3.26Å; K553-F555 WeakPolarHBondContact O-CE2 3.27Å; F555-H557 VanDerWaalsContact C-N 3.35Å; F555-H560 HydrophobicContact CB-CB 4.21Å; F555-H560 HydrophobicContact CD1-CB 3.82Å; F555-H560 HydrophobicContact CG-CB 4.26Å; F555-L561 HydrophobicContact CB-CB 4.42Å; F555-L561 HydrophobicContact CD2-CB 3.95Å; F555-L561 HydrophobicContact CD2-CD1 3.88Å; F555-L561 HydrophobicContact CE2-CD1 4.02Å; F555-L561 HydrophobicContact CG-CB 4.34Å; F555-H564 HydrophobicContact CE1-CB 3.98Å; F555-H564 HydrophobicContact CE2-CB 3.96Å; F555-H564 AromaticContact CE2-CD2 3.38Å; F555-H564 WeakPolarHBondContact CE2-CD2 3.34Å; F555-H564 AromaticContact CE2-CG 3.7Å; F555-H564 HydrophobicContact CZ-CB 3.48Å; F555-H564 VanDerWaalsContact CZ-CB 3.48Å; F555-H564 AromaticContact CZ-CD2 3.35Å; F555-H564 WeakPolarHBondContact CZ-CD2 3.2Å; F555-H564 AromaticContact CZ-CG 3.21Å; F555-H564 AromaticContact CZ-ND1 3.74Å; F555-H564 AromaticContact CZ-NE2 3.89Å
556	S	84.3	Confident	88.3	Confident	32 Å²	32	74.7 Å²	74.7	22%	0.224	38%	0.376	C	S	.	.	S	Bend	trans	-80.2	-15.6	176.2	52.4	0	0	0	0	113.5	R538	R538-S556 WeakPolarHBondContact CD-O 3.41Å; R538-S556 PolarHBondContact NH1-O 2.98Å
557	H	83.3	Confident	88.1	Confident	64 Å²	64	75.6 Å²	75.6	30%	0.296	39%	0.389	S	S	.	.	S	Bend	trans	-133.2	138.5	179.9	-66.8	-99.6	0	0	0	112.2	Y546 F555 T559 H560 L561	Y546-H557 VanDerWaalsContact CD2-C 3.41Å; F555-H557 VanDerWaalsContact C-N 3.35Å; H557-T559 VanDerWaalsContact C-N 3.25Å; H557-T559 PolarHBondContact O-N 3.48Å; H557-H560 AromaticContact CD2-CE1 3.98Å; H557-H560 PolarHBondContact O-N 3.44Å; H557-H560 VanDerWaalsContact O-N 3.1Å; H557-L561 PolarHBondContact O-N 3Å
558	K	85.7	Confident	87.9	Confident	149 Å²	149	73.4 Å²	73.4	65%	0.648	38%	0.378	S	S	*	.	H	α-helix	trans	-58.5	-35.5	175.7	-173.3	176.8	179.5	177.8	0	113	Y546 H560 L561 S562	Y546-K558 HydrophobicContact CD1-CB 4.01Å; Y546-K558 HydrophobicContact CD1-CG 4.43Å; Y546-K558 HydrophobicContact CE1-CB 3.78Å; Y546-K558 HydrophobicContact CE1-CG 4.36Å; Y546-K558 HydrophobicContact CE2-CB 4.38Å; Y546-K558 HydrophobicContact CG-CB 4.4Å; K558-H560 VanDerWaalsContact C-N 3.31Å; K558-H560 PolarHBondContact O-N 3.32Å; K558-L561 PolarHBondContact O-N 3.33Å; K558-S562 PolarHBondContact O-N 3.39Å
559	T	83.3	Confident	87.6	Confident	91 Å²	91	77.3 Å²	77.3	56%	0.558	40%	0.402	S	S	*	.	H	α-helix	trans	-63.1	-38.7	177.2	46.7	0	0	0	0	111.8	H557 S562 V563	H557-T559 VanDerWaalsContact C-N 3.25Å; H557-T559 PolarHBondContact O-N 3.48Å; T559-S562 PolarHBondContact O-N 3.12Å; T559-V563 VanDerWaalsContact O-CG2 3.3Å; T559-V563 WeakPolarHBondContact O-CG2 3.29Å; T559-V563 PolarHBondContact O-N 3.14Å
560	H	86.5	Confident	87.4	Confident	99 Å²	99	73 Å²	73	46%	0.458	39%	0.387	S	S	.	.	H	α-helix	trans	-68.1	-41.4	176.8	-61.9	170.7	0	0	0	111.3	F555 H557 K558 V563 H564	F555-H560 HydrophobicContact CB-CB 4.21Å; F555-H560 HydrophobicContact CD1-CB 3.82Å; F555-H560 HydrophobicContact CG-CB 4.26Å; H557-H560 AromaticContact CD2-CE1 3.98Å; H557-H560 PolarHBondContact O-N 3.44Å; H557-H560 VanDerWaalsContact O-N 3.1Å; K558-H560 VanDerWaalsContact C-N 3.31Å; K558-H560 PolarHBondContact O-N 3.32Å; H560-V563 PolarHBondContact O-N 3.45Å; H560-H564 WeakPolarHBondContact O-CB 3.39Å; H560-H564 PolarHBondContact O-N 2.96Å
561	L	89.6	Confident	87.3	Confident	22 Å²	22	72.2 Å²	72.2	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-48.4	172.8	173.6	62.3	0	0	0	111.5	C548 F555 H557 K558 V563 H564 Q565	C548-L561 HydrophobicContact CB-CD1 3.75Å; F555-L561 HydrophobicContact CB-CB 4.42Å; F555-L561 HydrophobicContact CD2-CB 3.95Å; F555-L561 HydrophobicContact CD2-CD1 3.88Å; F555-L561 HydrophobicContact CE2-CD1 4.02Å; F555-L561 HydrophobicContact CG-CB 4.34Å; H557-L561 PolarHBondContact O-N 3Å; K558-L561 PolarHBondContact O-N 3.33Å; L561-V563 VanDerWaalsContact C-N 3.31Å; L561-V563 PolarHBondContact O-N 2.59Å; L561-H564 WeakPolarHBondContact O-CB 3.43Å; L561-H564 PolarHBondContact O-N 2.7Å; L561-H564 VanDerWaalsContact O-N 3.15Å; L561-Q565 HydrophobicContact CD1-CG 4.31Å; L561-Q565 WeakPolarHBondContact O-CG 3.41Å; L561-Q565 PolarHBondContact O-N 3.32Å
562	S	87.1	Confident	87.1	Confident	56 Å²	56	75.9 Å²	75.9	39%	0.392	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-37.8	-179.3	176.4	0	0	0	0	112.9	K558 T559	K558-S562 PolarHBondContact O-N 3.39Å; T559-S562 PolarHBondContact O-N 3.12Å
563	V	85.4	Confident	86.9	Confident	36 Å²	36	72.2 Å²	72.2	22%	0.218	38%	0.382	C	S	.	.	H	α-helix	trans	-72.9	-38.1	175.5	175.8	0	0	0	0	111.1	T559 H560 L561 Q565 R566 Y585	T559-V563 VanDerWaalsContact O-CG2 3.3Å; T559-V563 WeakPolarHBondContact O-CG2 3.29Å; T559-V563 PolarHBondContact O-N 3.14Å; H560-V563 PolarHBondContact O-N 3.45Å; L561-V563 VanDerWaalsContact C-N 3.31Å; L561-V563 PolarHBondContact O-N 2.59Å; V563-Q565 VanDerWaalsContact C-N 3.32Å; V563-Q565 PolarHBondContact O-N 2.76Å; V563-R566 VanDerWaalsContact O-CB 3.28Å; V563-R566 WeakPolarHBondContact O-CB 3.33Å; V563-R566 PolarHBondContact O-N 3.42Å; V563-R566 VanDerWaalsContact O-N 3.11Å; V563-Y585 HydrophobicContact CB-CE1 4.49Å; V563-Y585 HydrophobicContact CG1-CD1 3.53Å; V563-Y585 HydrophobicContact CG1-CE1 3.09Å
564	H	88.9	Confident	86.9	Confident	23 Å²	23	69.7 Å²	69.7	11%	0.106	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-37.4	175.7	171.4	66.5	0	0	0	112.5	C551 F555 H560 L561 R566 V567 H568	C551-H564 PolarHBondContact SG-NE2 2.93Å; F555-H564 HydrophobicContact CE1-CB 3.98Å; F555-H564 HydrophobicContact CE2-CB 3.96Å; F555-H564 AromaticContact CE2-CD2 3.38Å; F555-H564 WeakPolarHBondContact CE2-CD2 3.34Å; F555-H564 AromaticContact CE2-CG 3.7Å; F555-H564 HydrophobicContact CZ-CB 3.48Å; F555-H564 VanDerWaalsContact CZ-CB 3.48Å; F555-H564 AromaticContact CZ-CD2 3.35Å; F555-H564 WeakPolarHBondContact CZ-CD2 3.2Å; F555-H564 AromaticContact CZ-CG 3.21Å; F555-H564 AromaticContact CZ-ND1 3.74Å; F555-H564 AromaticContact CZ-NE2 3.89Å; H560-H564 WeakPolarHBondContact O-CB 3.39Å; H560-H564 PolarHBondContact O-N 2.96Å; L561-H564 WeakPolarHBondContact O-CB 3.43Å; L561-H564 PolarHBondContact O-N 2.7Å; L561-H564 VanDerWaalsContact O-N 3.15Å; H564-R566 PolarHBondContact O-N 3.38Å; H564-R566 VanDerWaalsContact O-N 3.09Å; H564-V567 VanDerWaalsContact O-CB 3.22Å; H564-V567 WeakPolarHBondContact O-CB 3.38Å; H564-V567 WeakPolarHBondContact O-CG2 3.46Å; H564-V567 PolarHBondContact O-N 3.26Å; H564-H568 AromaticContact CE1-NE2 3.78Å; H564-H568 AromaticContact NE2-CD2 3.98Å; H564-H568 AromaticContact NE2-NE2 3.4Å; H564-H568 PolarHBondContact NE2-NE2 2.78Å
565	Q	88.6	Confident	87.1	Confident	87 Å²	87	72 Å²	72	41%	0.407	38%	0.377	S	S	.	.	H	α-helix	trans	-56.4	-26.3	173.9	-75.2	174.5	-42.2	0	0	112.8	L561 V563 V567 H568 T569	L561-Q565 HydrophobicContact CD1-CG 4.31Å; L561-Q565 WeakPolarHBondContact O-CG 3.41Å; L561-Q565 PolarHBondContact O-N 3.32Å; V563-Q565 VanDerWaalsContact C-N 3.32Å; V563-Q565 PolarHBondContact O-N 2.76Å; Q565-V567 PolarHBondContact O-N 3.26Å; Q565-H568 WeakPolarHBondContact O-CB 3.11Å; Q565-H568 PolarHBondContact O-N 3.25Å; Q565-H568 VanDerWaalsContact O-N 3.12Å; Q565-T569 PolarHBondContact O-N 2.65Å
566	R	88.5	Confident	87.3	Confident	47 Å²	47	70.1 Å²	70.1	18%	0.177	37%	0.368	C	S	.	.	H	α-helix	trans	-68.4	-19.5	175	-57.1	178.4	-177.2	171.4	-2	113.8	V563 H564 H568 T569 G570 E571 Y574 T584	V563-R566 VanDerWaalsContact O-CB 3.28Å; V563-R566 WeakPolarHBondContact O-CB 3.33Å; V563-R566 PolarHBondContact O-N 3.42Å; V563-R566 VanDerWaalsContact O-N 3.11Å; H564-R566 PolarHBondContact O-N 3.38Å; H564-R566 VanDerWaalsContact O-N 3.09Å; R566-H568 VanDerWaalsContact C-N 3.26Å; R566-T569 WeakPolarHBondContact CA-OG1 3.47Å; R566-G570 WeakPolarHBondContact O-CA 3.42Å; R566-G570 PolarHBondContact O-N 3.36Å; R566-E571 HydrophobicContact CB-CB 4.32Å; R566-E571 HydrophobicContact CG-CB 4.35Å; R566-E571 PolarHBondContact O-N 3.14Å; R566-Y574 VanDerWaalsContact NH1-CE2 3.35Å; R566-T584 HydrophobicContact CB-CG2 3.66Å; R566-T584 PolarHBondContact NH1-O 3.47Å
567	V	86.6	Confident	87.6	Confident	89 Å²	89	75.6 Å²	75.6	54%	0.539	40%	0.395	S	S	.	.	H	α-helix	trans	-67.6	-35	173.3	-180	0	0	0	0	110.3	H564 Q565	H564-V567 VanDerWaalsContact O-CB 3.22Å; H564-V567 WeakPolarHBondContact O-CB 3.38Å; H564-V567 WeakPolarHBondContact O-CG2 3.46Å; H564-V567 PolarHBondContact O-N 3.26Å; Q565-V567 PolarHBondContact O-N 3.26Å
568	H	87.8	Confident	87.8	Confident	64 Å²	64	77.8 Å²	77.8	30%	0.296	41%	0.409	S	S	.	.	H	α-helix	trans	-75.6	-44.6	178.7	-69.2	-85.1	0	0	0	112.2	E550 C551 H564 Q565 R566 G570	E550-H568 VanDerWaalsContact CB-CE1 3.48Å; E550-H568 WeakPolarHBondContact CB-CE1 3.27Å; E550-H568 WeakPolarHBondContact OE2-CB 3.49Å; E550-H568 IonicContact OE2-CE1 3.74Å; E550-H568 IonicContact OE2-CG 3.06Å; E550-H568 IonicContact OE2-ND1 2.8Å; E550-H568 PolarHBondContact OE2-ND1 2.63Å; C551-H568 PolarHBondContact SG-NE2 3.3Å; C551-H568 VanDerWaalsContact SG-NE2 3.4Å; H564-H568 AromaticContact CE1-NE2 3.78Å; H564-H568 AromaticContact NE2-CD2 3.98Å; H564-H568 AromaticContact NE2-NE2 3.4Å; H564-H568 PolarHBondContact NE2-NE2 2.78Å; Q565-H568 WeakPolarHBondContact O-CB 3.11Å; Q565-H568 PolarHBondContact O-N 3.25Å; Q565-H568 VanDerWaalsContact O-N 3.12Å; R566-H568 VanDerWaalsContact C-N 3.26Å; H568-G570 VanDerWaalsContact C-N 3.32Å
569	T	86.3	Confident	88.1	Confident	84 Å²	84	73.1 Å²	73.1	52%	0.515	40%	0.395	S	S	.	.	H	α-helix	trans	-80	-14.5	-179.7	61.9	0	0	0	0	113.5	Q565 R566 E571	Q565-T569 PolarHBondContact O-N 2.65Å; R566-T569 WeakPolarHBondContact CA-OG1 3.47Å; T569-E571 PolarHBondContact O-N 3.18Å; T569-E571 WeakPolarHBondContact OG1-CG 3.4Å; T569-E571 PolarHBondContact OG1-N 3.45Å
570	G	86.6	Confident	88.4	Confident	49 Å²	49	70.6 Å²	70.6	51%	0.505	39%	0.387	S	S	.	.			trans	69.8	8.8	-173	0	0	0	0	0	114	R566 H568 K572	R566-G570 WeakPolarHBondContact O-CA 3.42Å; R566-G570 PolarHBondContact O-N 3.36Å; H568-G570 VanDerWaalsContact C-N 3.32Å; G570-K572 PolarHBondContact O-N 3.13Å
571	E	87.4	Confident	88.6	Confident	111 Å²	111	71.8 Å²	71.8	52%	0.519	39%	0.39	S	S	.	.			trans	-60.9	128.9	-178.7	-79.4	-179	-173.5	0	0	111.9	R566 T569	R566-E571 HydrophobicContact CB-CB 4.32Å; R566-E571 HydrophobicContact CG-CB 4.35Å; R566-E571 PolarHBondContact O-N 3.14Å; T569-E571 PolarHBondContact O-N 3.18Å; T569-E571 WeakPolarHBondContact OG1-CG 3.4Å; T569-E571 PolarHBondContact OG1-N 3.45Å
572	K	87.6	Confident	88.6	Confident	122 Å²	122	73 Å²	73	53%	0.53	40%	0.401	S	S	.	.			trans	-125.8	78	177.3	-71.5	171.8	174.3	-174.6	0	110	G570 Y574 S582 F583	G570-K572 PolarHBondContact O-N 3.13Å; K572-Y574 PolarHBondContact O-N 3.1Å; K572-Y574 VanDerWaalsContact O-N 3.17Å; K572-S582 WeakPolarHBondContact CD-O 3.46Å; K572-F583 CarbonylContact C-O 3.58Å; K572-F583 WeakPolarHBondContact CA-O 3.43Å
573	P	85.6	Confident	88.6	Confident	69 Å²	69	72.4 Å²	72.4	45%	0.448	39%	0.391	S	S	.	.			trans	-71.4	-12.2	-170.4	-17.2	31.7	0	0	0	114.3
574	Y	89.2	Confident	88.5	Confident	70 Å²	70	71.9 Å²	71.9	28%	0.275	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	97	-171.4	-55.3	-70.5	0	0	0	110.3	R566 K572 S582 F583 T584 N586	R566-Y574 VanDerWaalsContact NH1-CE2 3.35Å; K572-Y574 PolarHBondContact O-N 3.1Å; K572-Y574 VanDerWaalsContact O-N 3.17Å; Y574-S582 CarbonylContact O-C 3.49Å; Y574-S582 WeakPolarHBondContact O-CA 3.5Å; Y574-F583 WeakPolarHBondContact CD2-O 3.26Å; Y574-F583 PolarHBondContact N-O 2.78Å; Y574-F583 PolarHBondContact O-N 2.72Å; Y574-T584 WeakPolarHBondContact CE2-O 3.48Å; Y574-N586 HydrophobicContact CD1-CB 4.09Å; Y574-N586 HydrophobicContact CD2-CB 4.42Å; Y574-N586 VanDerWaalsContact CD2-N 3.33Å; Y574-N586 HydrophobicContact CE1-CB 3.92Å; Y574-N586 HydrophobicContact CE2-CB 4.24Å; Y574-N586 HydrophobicContact CG-CB 4.33Å
575	E	92.6	Very high	88.3	Confident	108 Å²	108	75.9 Å²	75.9	51%	0.505	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142	177.9	-168.8	174.5	161.6	0	0	111.9
576	C	92.1	Very high	88.1	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.403	C	S	.	.			trans	-85.3	117.6	170	179.2	0	0	0	0	109.8	D578 C579 G580 K581 F583 L589 H596	C576-D578 PolarHBondContact O-N 3.33Å; C576-C579 PolarHBondContact O-N 2.98Å; C576-C579 VanDerWaalsContact SG-SG 3.63Å; C576-G580 VanDerWaalsContact O-CA 3.28Å; C576-G580 WeakPolarHBondContact O-CA 3.13Å; C576-G580 PolarHBondContact O-N 3.36Å; C576-K581 WeakPolarHBondContact CB-O 3.46Å; C576-K581 PolarHBondContact N-O 3.28Å; C576-F583 HydrophobicContact CB-CE2 4.3Å; C576-L589 HydrophobicContact CB-CD1 3.56Å; C576-H596 VanDerWaalsContact SG-CD2 3.57Å; C576-H596 PolarHBondContact SG-NE2 2.9Å
577	N	90.3	Very high	88	Confident	148 Å²	148	77 Å²	77	79%	0.791	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.2	179.8	-64.2	-13.9	0	0	0	113.3
578	D	88.4	Confident	88	Confident	109 Å²	109	74.5 Å²	74.5	58%	0.583	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-26.3	-175.5	-49.4	-46.6	0	0	0	112.5	C576 H596	C576-D578 PolarHBondContact O-N 3.33Å; D578-H596 IonicContact OD2-CD2 3.49Å; D578-H596 PolarHBondContact OD2-CD2 3.08Å
579	C	92.6	Very high	88.1	Confident	52 Å²	52	72.1 Å²	72.1	35%	0.351	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	3.5	-174	75.5	0	0	0	0	115.3	C576 K581 H592	C576-C579 PolarHBondContact O-N 2.98Å; C576-C579 VanDerWaalsContact SG-SG 3.63Å; C579-K581 PolarHBondContact O-N 3.49Å; C579-K581 VanDerWaalsContact O-N 3.13Å; C579-H592 PolarHBondContact SG-NE2 3.03Å
580	G	88.4	Confident	88.1	Confident	38 Å²	38	76.4 Å²	76.4	39%	0.392	41%	0.407	S	S	.	.			trans	67.7	6.6	179.6	0	0	0	0	0	115.1	C576 S582	C576-G580 VanDerWaalsContact O-CA 3.28Å; C576-G580 WeakPolarHBondContact O-CA 3.13Å; C576-G580 PolarHBondContact O-N 3.36Å; G580-S582 PolarHBondContact O-N 2.99Å
581	K	90.7	Very high	88.3	Confident	123 Å²	123	76 Å²	76	54%	0.535	40%	0.399	S	S	.	.			trans	-75	125.2	179.7	-72.3	-179.9	-178.8	175.9	0	110.8	C576 C579 F583	C576-K581 WeakPolarHBondContact CB-O 3.46Å; C576-K581 PolarHBondContact N-O 3.28Å; C579-K581 PolarHBondContact O-N 3.49Å; C579-K581 VanDerWaalsContact O-N 3.13Å; K581-F583 HydrophobicContact CB-CE2 3.85Å; K581-F583 HydrophobicContact CB-CZ 3.96Å; K581-F583 WeakPolarHBondContact O-CD2 3.29Å; K581-F583 WeakPolarHBondContact O-CE2 3.37Å
582	S	90.3	Very high	88.5	Confident	47 Å²	47	71.7 Å²	71.7	33%	0.329	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.5	177.6	-38.2	0	0	0	0	112.6	K572 Y574 G580	K572-S582 WeakPolarHBondContact CD-O 3.46Å; Y574-S582 CarbonylContact O-C 3.49Å; Y574-S582 WeakPolarHBondContact O-CA 3.5Å; G580-S582 PolarHBondContact O-N 2.99Å
583	F	86.9	Confident	88.6	Confident	44 Å²	44	69.3 Å²	69.3	19%	0.193	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.4	-176.2	-59	-89.2	0	0	0	111.1	K572 Y574 C576 K581 Y585 A588 L589 H592	K572-F583 CarbonylContact C-O 3.58Å; K572-F583 WeakPolarHBondContact CA-O 3.43Å; Y574-F583 WeakPolarHBondContact CD2-O 3.26Å; Y574-F583 PolarHBondContact N-O 2.78Å; Y574-F583 PolarHBondContact O-N 2.72Å; C576-F583 HydrophobicContact CB-CE2 4.3Å; K581-F583 HydrophobicContact CB-CE2 3.85Å; K581-F583 HydrophobicContact CB-CZ 3.96Å; K581-F583 WeakPolarHBondContact O-CD2 3.29Å; K581-F583 WeakPolarHBondContact O-CE2 3.37Å; F583-Y585 VanDerWaalsContact C-N 3.33Å; F583-A588 HydrophobicContact CB-CB 4.18Å; F583-A588 HydrophobicContact CD1-CB 3.94Å; F583-A588 HydrophobicContact CG-CB 4.31Å; F583-L589 HydrophobicContact CB-CB 4.41Å; F583-L589 HydrophobicContact CD2-CB 3.96Å; F583-L589 HydrophobicContact CD2-CD1 3.92Å; F583-L589 HydrophobicContact CE2-CD1 4.07Å; F583-L589 HydrophobicContact CG-CB 4.37Å; F583-H592 HydrophobicContact CE1-CB 4.04Å; F583-H592 HydrophobicContact CE2-CB 3.9Å; F583-H592 AromaticContact CE2-CD2 3.5Å; F583-H592 AromaticContact CE2-CG 3.71Å; F583-H592 HydrophobicContact CZ-CB 3.46Å; F583-H592 VanDerWaalsContact CZ-CB 3.46Å; F583-H592 AromaticContact CZ-CD2 3.51Å; F583-H592 AromaticContact CZ-CG 3.27Å; F583-H592 AromaticContact CZ-ND1 3.82Å
584	T	84	Confident	88.8	Confident	26 Å²	26	74.7 Å²	74.7	16%	0.16	38%	0.381	C	S	.	.	S	Bend	trans	-74.8	-25.1	176.6	-49.7	0	0	0	0	112.4	R566 Y574	R566-T584 HydrophobicContact CB-CG2 3.66Å; R566-T584 PolarHBondContact NH1-O 3.47Å; Y574-T584 WeakPolarHBondContact CE2-O 3.48Å
585	Y	83	Confident	88.9	Confident	107 Å²	107	77.3 Å²	77.3	42%	0.42	40%	0.398	S	S	.	.	S	Bend	trans	-123.3	139	-175.9	-52.9	-92.4	0	0	0	111.7	V563 F583 S587 A588 L589	V563-Y585 HydrophobicContact CB-CE1 4.49Å; V563-Y585 HydrophobicContact CG1-CD1 3.53Å; V563-Y585 HydrophobicContact CG1-CE1 3.09Å; F583-Y585 VanDerWaalsContact C-N 3.33Å; Y585-S587 VanDerWaalsContact C-N 3.29Å; Y585-S587 PolarHBondContact O-N 3.37Å; Y585-A588 WeakPolarHBondContact O-CB 3.48Å; Y585-A588 PolarHBondContact O-N 3.49Å; Y585-L589 PolarHBondContact O-N 2.67Å
586	N	85.2	Confident	88.5	Confident	73 Å²	73	76.1 Å²	76.1	39%	0.39	39%	0.392	S	S	.	.	H	α-helix	trans	-63.8	-35.3	174.7	-173.2	-80.8	0	0	0	112.2	Y574 A588 L589 R590	Y574-N586 HydrophobicContact CD1-CB 4.09Å; Y574-N586 HydrophobicContact CD2-CB 4.42Å; Y574-N586 VanDerWaalsContact CD2-N 3.33Å; Y574-N586 HydrophobicContact CE1-CB 3.92Å; Y574-N586 HydrophobicContact CE2-CB 4.24Å; Y574-N586 HydrophobicContact CG-CB 4.33Å; N586-A588 VanDerWaalsContact C-N 3.3Å; N586-A588 PolarHBondContact O-N 3.44Å; N586-L589 PolarHBondContact O-N 3.16Å; N586-R590 PolarHBondContact O-N 3.27Å
587	S	85.9	Confident	87.3	Confident	85 Å²	85	83 Å²	83	59%	0.594	44%	0.435	S	S	*	.	H	α-helix	trans	-62	-37.4	175.5	51	0	0	0	0	112.4	Y585 R590 A591	Y585-S587 VanDerWaalsContact C-N 3.29Å; Y585-S587 PolarHBondContact O-N 3.37Å; S587-R590 PolarHBondContact O-N 3.12Å; S587-A591 WeakPolarHBondContact O-CB 3.44Å; S587-A591 PolarHBondContact O-N 3.27Å
588	A	86.8	Confident	87.2	Confident	35 Å²	35	79.8 Å²	79.8	29%	0.289	42%	0.417	S	S	.	.	H	α-helix	trans	-67.8	-42.6	175.3	0	0	0	0	0	111.3	F583 Y585 N586 A591 H592	F583-A588 HydrophobicContact CB-CB 4.18Å; F583-A588 HydrophobicContact CD1-CB 3.94Å; F583-A588 HydrophobicContact CG-CB 4.31Å; Y585-A588 WeakPolarHBondContact O-CB 3.48Å; Y585-A588 PolarHBondContact O-N 3.49Å; N586-A588 VanDerWaalsContact C-N 3.3Å; N586-A588 PolarHBondContact O-N 3.44Å; A588-A591 PolarHBondContact O-N 3.06Å; A588-H592 VanDerWaalsContact O-CB 3.31Å; A588-H592 WeakPolarHBondContact O-CB 3.26Å; A588-H592 PolarHBondContact O-N 3.22Å
589	L	89.6	Confident	87.1	Confident	15 Å²	15	78.3 Å²	78.3	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-58.6	-48.7	171.7	172.3	62.7	0	0	0	111.3	C576 F583 Y585 N586 A591 H592 Q593	C576-L589 HydrophobicContact CB-CD1 3.56Å; F583-L589 HydrophobicContact CB-CB 4.41Å; F583-L589 HydrophobicContact CD2-CB 3.96Å; F583-L589 HydrophobicContact CD2-CD1 3.92Å; F583-L589 HydrophobicContact CE2-CD1 4.07Å; F583-L589 HydrophobicContact CG-CB 4.37Å; Y585-L589 PolarHBondContact O-N 2.67Å; N586-L589 PolarHBondContact O-N 3.16Å; L589-A591 VanDerWaalsContact C-N 3.33Å; L589-A591 PolarHBondContact O-N 3.42Å; L589-H592 CarbonylContact O-C 3.5Å; L589-H592 WeakPolarHBondContact O-CB 3.27Å; L589-H592 PolarHBondContact O-N 3.3Å; L589-H592 VanDerWaalsContact O-N 3.14Å; L589-Q593 HydrophobicContact CD1-CG 4.02Å; L589-Q593 HydrophobicContact CG-CG 4.36Å; L589-Q593 WeakPolarHBondContact O-CG 3.28Å; L589-Q593 PolarHBondContact O-N 2.98Å
590	R	87.9	Confident	86.8	Confident	174 Å²	174	79.7 Å²	79.7	66%	0.657	41%	0.411	S	S	*	.	H	α-helix	trans	-60.4	-41.2	177.7	-80	-170.1	163.1	-146.9	-4.4	112.7	N586 S587 H592 Q593 R594	N586-R590 PolarHBondContact O-N 3.27Å; S587-R590 PolarHBondContact O-N 3.12Å; R590-H592 VanDerWaalsContact C-N 3.31Å; R590-Q593 PolarHBondContact O-N 2.97Å; R590-R594 PolarHBondContact O-N 2.87Å
591	A	89.7	Confident	86.7	Confident	40 Å²	40	82.2 Å²	82.2	33%	0.331	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-40.4	175.8	0	0	0	0	0	111.3	S587 A588 L589 R594	S587-A591 WeakPolarHBondContact O-CB 3.44Å; S587-A591 PolarHBondContact O-N 3.27Å; A588-A591 PolarHBondContact O-N 3.06Å; L589-A591 VanDerWaalsContact C-N 3.33Å; L589-A591 PolarHBondContact O-N 3.42Å; A591-R594 WeakPolarHBondContact O-CB 3.46Å; A591-R594 PolarHBondContact O-N 3.07Å
592	H	91.4	Very high	86.5	Confident	21 Å²	21	79.6 Å²	79.6	10%	0.097	41%	0.405	C	S	.	.	H	α-helix	trans	-66.8	-40.6	176.3	174.1	65.7	0	0	0	113	C579 F583 A588 L589 R590 R594 I595 H596	C579-H592 PolarHBondContact SG-NE2 3.03Å; F583-H592 HydrophobicContact CE1-CB 4.04Å; F583-H592 HydrophobicContact CE2-CB 3.9Å; F583-H592 AromaticContact CE2-CD2 3.5Å; F583-H592 AromaticContact CE2-CG 3.71Å; F583-H592 HydrophobicContact CZ-CB 3.46Å; F583-H592 VanDerWaalsContact CZ-CB 3.46Å; F583-H592 AromaticContact CZ-CD2 3.51Å; F583-H592 AromaticContact CZ-CG 3.27Å; F583-H592 AromaticContact CZ-ND1 3.82Å; A588-H592 VanDerWaalsContact O-CB 3.31Å; A588-H592 WeakPolarHBondContact O-CB 3.26Å; A588-H592 PolarHBondContact O-N 3.22Å; L589-H592 CarbonylContact O-C 3.5Å; L589-H592 WeakPolarHBondContact O-CB 3.27Å; L589-H592 PolarHBondContact O-N 3.3Å; L589-H592 VanDerWaalsContact O-N 3.14Å; R590-H592 VanDerWaalsContact C-N 3.31Å; H592-R594 PolarHBondContact O-N 3.42Å; H592-I595 WeakPolarHBondContact O-CB 3.5Å; H592-I595 WeakPolarHBondContact O-CG1 3.21Å; H592-I595 PolarHBondContact O-N 3.5Å; H592-H596 AromaticContact CD2-NE2 3.76Å; H592-H596 AromaticContact CE1-CE1 3.97Å; H592-H596 AromaticContact CE1-NE2 3.61Å; H592-H596 AromaticContact NE2-CD2 3.95Å; H592-H596 AromaticContact NE2-CE1 3.76Å; H592-H596 AromaticContact NE2-NE2 3.02Å; H592-H596 PolarHBondContact NE2-NE2 3.46Å
593	Q	89	Confident	86.2	Confident	72 Å²	72	81.8 Å²	81.8	34%	0.336	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-26.9	177.5	-76.5	175	-41	0	0	112.9	L589 R590 I595 H596 T597	L589-Q593 HydrophobicContact CD1-CG 4.02Å; L589-Q593 HydrophobicContact CG-CG 4.36Å; L589-Q593 WeakPolarHBondContact O-CG 3.28Å; L589-Q593 PolarHBondContact O-N 2.98Å; R590-Q593 PolarHBondContact O-N 2.97Å; Q593-I595 PolarHBondContact O-N 3.15Å; Q593-H596 PolarHBondContact O-N 3.2Å; Q593-H596 VanDerWaalsContact O-N 3.13Å; Q593-T597 PolarHBondContact O-N 3.13Å
594	R	91.3	Very high	86.2	Confident	182 Å²	182	84.5 Å²	84.5	69%	0.687	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.4	173.3	-66.4	-175	-66.5	169.1	-2.1	114.2	R590 A591 H592 T597	R590-R594 PolarHBondContact O-N 2.87Å; A591-R594 WeakPolarHBondContact O-CB 3.46Å; A591-R594 PolarHBondContact O-N 3.07Å; H592-R594 PolarHBondContact O-N 3.42Å; R594-T597 WeakPolarHBondContact CA-OG1 3.5Å; R594-T597 PolarHBondContact O-OG1 3.1Å; R594-T597 VanDerWaalsContact O-OG1 3.08Å
595	I	91.1	Very high	86.3	Confident	125 Å²	125	89 Å²	89	64%	0.641	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-23	175	-53.9	171.1	0	0	0	110.2	H592 Q593	H592-I595 WeakPolarHBondContact O-CB 3.5Å; H592-I595 WeakPolarHBondContact O-CG1 3.21Å; H592-I595 PolarHBondContact O-N 3.5Å; Q593-I595 PolarHBondContact O-N 3.15Å
596	H	82.9	Confident	86.6	Confident	83 Å²	83	87.5 Å²	87.5	38%	0.384	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.3	177.1	-57.7	-51	0	0	0	113.1	C576 D578 H592 Q593	C576-H596 VanDerWaalsContact SG-CD2 3.57Å; C576-H596 PolarHBondContact SG-NE2 2.9Å; D578-H596 IonicContact OD2-CD2 3.49Å; D578-H596 PolarHBondContact OD2-CD2 3.08Å; H592-H596 AromaticContact CD2-NE2 3.76Å; H592-H596 AromaticContact CE1-CE1 3.97Å; H592-H596 AromaticContact CE1-NE2 3.61Å; H592-H596 AromaticContact NE2-CD2 3.95Å; H592-H596 AromaticContact NE2-CE1 3.76Å; H592-H596 AromaticContact NE2-NE2 3.02Å; H592-H596 PolarHBondContact NE2-NE2 3.46Å; Q593-H596 PolarHBondContact O-N 3.2Å; Q593-H596 VanDerWaalsContact O-N 3.13Å
597	T	68.9	Low	86.8	Confident	145 Å²	145	88.8 Å²	88.8	89%	0.89	45%	0.453	S	S	*	.			trans	-90.9	0	167.3	58.8	0	0	0	0	109.5	Q593 R594	Q593-T597 PolarHBondContact O-N 3.13Å; R594-T597 WeakPolarHBondContact CA-OG1 3.5Å; R594-T597 PolarHBondContact O-OG1 3.1Å; R594-T597 VanDerWaalsContact O-OG1 3.08Å

Retrieved 597 of 597 residues in 542.4 ms (Link to these results)

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