A0A077ZFD3_TRITR Loading...

methylmalonyl-CoA mutase

AlphaFold DB , UniProt , Accession A0A077ZFD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 699 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	57.8	Low	82	Confident	96 Å²	96	94.3 Å²	94.3	47%	0.473	49%	0.486	S	S	.	.				0	146.1	0	-74.3	-173.9	-158.8	0	0	108.9	R297 L298 T301	M1-R297 HydrophobicContact CE-CG 4.42Å; M1-L298 HydrophobicContact CE-CD2 3.46Å; M1-L298 VanDerWaalsContact CE-CD2 3.46Å; M1-L298 HydrophobicContact CE-CG 4.48Å; M1-L298 HydrophobicContact SD-CD2 3.65Å; M1-T301 HydrophobicContact CE-CG2 3.79Å; M1-T301 WeakPolarHBondContact CE-OG1 3.31Å
2	H	56.8	Low	83.3	Confident	187 Å²	187	96.8 Å²	96.8	87%	0.866	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-70.5	144	173.1	-67.3	-65.6	0	0	0	110.3	Y4	H2-Y4 PolarHBondContact O-N 3.31Å
3	E	67.7	Low	84.4	Confident	120 Å²	120	93.8 Å²	93.8	56%	0.561	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-62.2	123.9	171.9	-165.1	165.9	-156.2	0	0	108.9	N5 K414	E3-N5 PolarHBondContact O-N 2.7Å; E3-K414 VanDerWaalsContact OE1-CE 3.27Å; E3-K414 WeakPolarHBondContact OE1-CE 3.48Å; E3-K414 IonicContact OE1-NZ 3.54Å; E3-K414 PolarHBondContact OE1-NZ 2.96Å
4	Y	79	Confident	85.3	Confident	34 Å²	34	88.6 Å²	88.6	13%	0.133	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-81.8	118.2	177.7	176.4	-97.6	0	0	0	108.5	H2 A6 D47 S403 N406 E407	H2-Y4 PolarHBondContact O-N 3.31Å; Y4-A6 HydrophobicContact CE1-CB 4.44Å; Y4-D47 PolarHBondContact OH-O 3Å; Y4-D47 VanDerWaalsContact OH-O 3.07Å; Y4-S403 WeakPolarHBondContact OH-CB 3.33Å; Y4-S403 PolarHBondContact OH-OG 3.3Å; Y4-N406 HydrophobicContact CD1-CB 4.09Å; Y4-N406 HydrophobicContact CD2-CB 3.6Å; Y4-N406 HydrophobicContact CE1-CB 4.4Å; Y4-N406 HydrophobicContact CE2-CB 3.96Å; Y4-N406 HydrophobicContact CG-CB 3.66Å; Y4-E407 HydrophobicContact CD1-CB 4.42Å; Y4-E407 HydrophobicContact CD1-CG 3.38Å; Y4-E407 HydrophobicContact CE1-CG 3.36Å
5	N	81.6	Confident	86.1	Confident	127 Å²	127	92.1 Å²	92.1	68%	0.679	46%	0.463	S	S	*	.			trans	-92.7	114	176	-67.8	-40	0	0	0	109	E3 V7	E3-N5 PolarHBondContact O-N 2.7Å; N5-V7 PolarHBondContact O-N 3.06Å
6	A	84.6	Confident	86.8	Confident	59 Å²	59	93.2 Å²	93.2	49%	0.488	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-60.9	134.8	176.6	0	0	0	0	0	111	Y4	Y4-A6 HydrophobicContact CE1-CB 4.44Å
7	V	91.9	Very high	87.4	Confident	44 Å²	44	88.4 Å²	88.4	27%	0.267	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-78.3	138.5	178.3	-175.3	0	0	0	0	109.1	N5 K40 D46 D47	N5-V7 PolarHBondContact O-N 3.06Å; V7-K40 WeakPolarHBondContact O-CD 3.13Å; V7-K40 PolarHBondContact O-NZ 3.33Å; V7-D46 HydrophobicContact CG1-CB 4.24Å; V7-D47 WeakPolarHBondContact CB-OD1 3.33Å
8	P	93.4	Very high	88	Confident	107 Å²	107	86.2 Å²	86.2	70%	0.695	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-60.7	170.1	175	25.9	-35.7	0	0	0	112.8	H10 K40	P8-H10 PolarHBondContact O-N 2.98Å; P8-K40 PolarHBondContact O-NZ 3.38Å
9	L	96	Very high	88.5	Confident	21 Å²	21	90.7 Å²	90.7	11%	0.11	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-58.7	137.4	175.6	-64.2	173.4	0	0	0	111.4	K11 W13 S14 V26 I30 K40 P41	L9-K11 PolarHBondContact O-N 3.08Å; L9-W13 HydrophobicContact CD1-CZ3 4.27Å; L9-W13 HydrophobicContact CD2-CZ3 4.04Å; L9-S14 WeakPolarHBondContact CB-OG 2.92Å; L9-V26 HydrophobicContact CD1-CB 4.46Å; L9-V26 HydrophobicContact CD1-CG2 3.92Å; L9-I30 HydrophobicContact CD1-CD1 4.17Å; L9-I30 HydrophobicContact CD1-CG1 4.41Å; L9-I30 HydrophobicContact CD2-CG1 4.47Å; L9-I30 HydrophobicContact CG-CD1 4.38Å; L9-K40 HydrophobicContact CD2-CB 4.1Å; L9-K40 HydrophobicContact CD2-CD 4.04Å; L9-K40 HydrophobicContact CD2-CG 4.16Å; L9-P41 HydrophobicContact CD2-CG 3.99Å
10	H	96.4	Very high	88.9	Confident	67 Å²	67	90.2 Å²	90.2	31%	0.31	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-62.1	123.3	-178.4	-175.6	-93.5	0	0	0	110.8	P8 E12 W13 S14 T44	P8-H10 PolarHBondContact O-N 2.98Å; H10-E12 IonicContact CE1-OE2 2.62Å; H10-E12 PolarHBondContact O-N 3.13Å; H10-W13 HydrophobicContact CB-CB 4.14Å; H10-W13 PolarHBondContact O-N 3.11Å; H10-S14 PolarHBondContact O-N 2.96Å; H10-S14 PolarHBondContact O-OG 3.44Å; H10-T44 HydrophobicContact CB-CG2 3.94Å
11	K	96.7	Very high	89.3	Confident	175 Å²	175	88.5 Å²	88.5	76%	0.761	46%	0.458	S	S	*	.	H	α-helix	trans	-55.4	-47.1	-167.8	-69.2	-176.9	179.2	179	0	113.7	L9 S14 Q15	L9-K11 PolarHBondContact O-N 3.08Å; K11-S14 PolarHBondContact O-N 3.36Å; K11-Q15 WeakPolarHBondContact O-CG 3.45Å; K11-Q15 PolarHBondContact O-N 3.46Å; K11-Q15 VanDerWaalsContact O-N 3.16Å
12	E	97.3	Very high	91.2	Very high	125 Å²	125	93.4 Å²	93.4	58%	0.584	48%	0.477	S	S	*	.	H	α-helix	trans	-66.6	-40.2	180	-173.9	-177.7	178.5	0	0	111.6	H10 S14 Q15 L16	H10-E12 IonicContact CE1-OE2 2.62Å; H10-E12 PolarHBondContact O-N 3.13Å; E12-S14 VanDerWaalsContact C-N 3.35Å; E12-S14 PolarHBondContact O-N 2.96Å; E12-Q15 PolarHBondContact O-N 3.18Å; E12-L16 WeakPolarHBondContact O-CG 3.48Å; E12-L16 PolarHBondContact O-N 3.47Å; E12-L16 VanDerWaalsContact O-N 3.1Å
13	W	97.7	Very high	93	Very high	58 Å²	58	87.2 Å²	87.2	22%	0.22	46%	0.464	C	S	.	.	H	α-helix	trans	-65.9	-41.9	177.4	175.9	82.4	0	0	0	110.7	L9 H10 Q15 L16 A17 L29 P41 L42	L9-W13 HydrophobicContact CD1-CZ3 4.27Å; L9-W13 HydrophobicContact CD2-CZ3 4.04Å; H10-W13 HydrophobicContact CB-CB 4.14Å; H10-W13 PolarHBondContact O-N 3.11Å; W13-Q15 VanDerWaalsContact C-N 3.27Å; W13-Q15 PolarHBondContact O-N 3.06Å; W13-L16 PolarHBondContact O-N 3.16Å; W13-L16 VanDerWaalsContact O-N 3.15Å; W13-A17 HydrophobicContact CD2-CB 4.22Å; W13-A17 HydrophobicContact CE3-CB 4.31Å; W13-A17 HydrophobicContact CH2-CB 3.92Å; W13-A17 HydrophobicContact CZ2-CB 3.87Å; W13-A17 HydrophobicContact CZ3-CB 4.16Å; W13-A17 VanDerWaalsContact O-CB 3.28Å; W13-A17 WeakPolarHBondContact O-CB 3.41Å; W13-A17 PolarHBondContact O-N 3.44Å; W13-L29 HydrophobicContact CH2-CD1 4.17Å; W13-P41 HydrophobicContact CH2-CB 3.78Å; W13-P41 HydrophobicContact CH2-CG 3.23Å; W13-P41 HydrophobicContact CZ2-CB 4.1Å; W13-P41 HydrophobicContact CZ2-CG 4.01Å; W13-P41 HydrophobicContact CZ3-CG 3.78Å; W13-L42 HydrophobicContact CB-CD2 3.65Å; W13-L42 HydrophobicContact CD2-CB 4.01Å; W13-L42 HydrophobicContact CD2-CD2 3.8Å; W13-L42 HydrophobicContact CE3-CB 4.45Å; W13-L42 HydrophobicContact CG-CB 4.39Å; W13-L42 HydrophobicContact CG-CD2 3.26Å; W13-L42 HydrophobicContact CG-CG 4.41Å; W13-L42 HydrophobicContact CZ2-CB 4.24Å
14	S	97.1	Very high	94.3	Very high	21 Å²	21	88.5 Å²	88.5	15%	0.147	47%	0.467	C	S	.	.	H	α-helix	trans	-56.6	-42.4	175.7	-62.5	0	0	0	0	111.3	L9 H10 K11 E12 A17 T18	L9-S14 WeakPolarHBondContact CB-OG 2.92Å; H10-S14 PolarHBondContact O-N 2.96Å; H10-S14 PolarHBondContact O-OG 3.44Å; K11-S14 PolarHBondContact O-N 3.36Å; E12-S14 VanDerWaalsContact C-N 3.35Å; E12-S14 PolarHBondContact O-N 2.96Å; S14-A17 PolarHBondContact O-N 3.47Å; S14-T18 WeakPolarHBondContact O-CB 3.5Å; S14-T18 PolarHBondContact O-N 3.26Å; S14-T18 PolarHBondContact O-OG1 2.86Å
15	Q	97.1	Very high	95.1	Very high	141 Å²	141	91.1 Å²	91.1	66%	0.659	48%	0.483	S	S	*	.	H	α-helix	trans	-63.4	-45.3	176.2	-69.2	173.3	-1.6	0	0	112.3	K11 E12 W13 K19	K11-Q15 WeakPolarHBondContact O-CG 3.45Å; K11-Q15 PolarHBondContact O-N 3.46Å; K11-Q15 VanDerWaalsContact O-N 3.16Å; E12-Q15 PolarHBondContact O-N 3.18Å; W13-Q15 VanDerWaalsContact C-N 3.27Å; W13-Q15 PolarHBondContact O-N 3.06Å; Q15-K19 WeakPolarHBondContact O-CB 3.21Å; Q15-K19 PolarHBondContact O-N 3.29Å
16	L	98	Very high	95.7	Very high	109 Å²	109	85.4 Å²	85.4	57%	0.571	45%	0.453	S	S	*	.	H	α-helix	trans	-63.1	-44.4	176.8	-69.1	172.5	0	0	0	111.7	E12 W13 K19 A20	E12-L16 WeakPolarHBondContact O-CG 3.48Å; E12-L16 PolarHBondContact O-N 3.47Å; E12-L16 VanDerWaalsContact O-N 3.1Å; W13-L16 PolarHBondContact O-N 3.16Å; W13-L16 VanDerWaalsContact O-N 3.15Å; L16-K19 WeakPolarHBondContact O-CB 3.32Å; L16-K19 PolarHBondContact O-N 2.88Å; L16-A20 WeakPolarHBondContact O-CB 3.47Å; L16-A20 PolarHBondContact O-N 2.95Å
17	A	97.6	Very high	96.2	Very high	12 Å²	12	86.7 Å²	86.7	10%	0.099	45%	0.452	C	S	.	.	H	α-helix	trans	-67.1	-44.3	179.5	0	0	0	0	0	111.4	W13 S14 K19 A20 L21 V26	W13-A17 HydrophobicContact CD2-CB 4.22Å; W13-A17 HydrophobicContact CE3-CB 4.31Å; W13-A17 HydrophobicContact CH2-CB 3.92Å; W13-A17 HydrophobicContact CZ2-CB 3.87Å; W13-A17 HydrophobicContact CZ3-CB 4.16Å; W13-A17 VanDerWaalsContact O-CB 3.28Å; W13-A17 WeakPolarHBondContact O-CB 3.41Å; W13-A17 PolarHBondContact O-N 3.44Å; S14-A17 PolarHBondContact O-N 3.47Å; A17-K19 VanDerWaalsContact C-N 3.27Å; A17-K19 PolarHBondContact O-N 3.23Å; A17-A20 PolarHBondContact O-N 3.18Å; A17-A20 VanDerWaalsContact O-N 3.14Å; A17-L21 WeakPolarHBondContact O-CB 3.34Å; A17-L21 VanDerWaalsContact O-CG 3.23Å; A17-L21 WeakPolarHBondContact O-CG 3.26Å; A17-L21 PolarHBondContact O-N 3Å; A17-V26 HydrophobicContact CB-CG1 3.62Å
18	T	97.7	Very high	96.4	Very high	49 Å²	49	89.6 Å²	89.6	30%	0.301	47%	0.47	S	S	.	.	H	α-helix	trans	-57.5	-43.2	173.8	-64	0	0	0	0	110.9	S14 L21 K22 G23 V26	S14-T18 WeakPolarHBondContact O-CB 3.5Å; S14-T18 PolarHBondContact O-N 3.26Å; S14-T18 PolarHBondContact O-OG1 2.86Å; T18-L21 CarbonylContact O-C 3.51Å; T18-L21 PolarHBondContact O-N 3.35Å; T18-K22 PolarHBondContact O-N 3.17Å; T18-G23 PolarHBondContact O-N 2.95Å; T18-V26 VanDerWaalsContact OG1-CG1 3.29Å; T18-V26 WeakPolarHBondContact OG1-CG1 3.43Å
19	K	97.4	Very high	96.5	Very high	171 Å²	171	88 Å²	88	74%	0.743	46%	0.455	S	S	*	.	H	α-helix	trans	-62.3	-46.7	175.5	-173.8	179.9	179.7	-179	0	111.4	Q15 L16 A17 L21 K22	Q15-K19 WeakPolarHBondContact O-CB 3.21Å; Q15-K19 PolarHBondContact O-N 3.29Å; L16-K19 WeakPolarHBondContact O-CB 3.32Å; L16-K19 PolarHBondContact O-N 2.88Å; A17-K19 VanDerWaalsContact C-N 3.27Å; A17-K19 PolarHBondContact O-N 3.23Å; K19-L21 VanDerWaalsContact C-N 3.29Å; K19-L21 PolarHBondContact O-N 3.01Å; K19-K22 PolarHBondContact O-N 3.26Å; K19-K22 VanDerWaalsContact O-N 3.11Å
20	A	97.2	Very high	96.6	Very high	81 Å²	81	89.2 Å²	89.2	67%	0.669	46%	0.461	S	S	*	.	H	α-helix	trans	-62.2	-36.3	178	0	0	0	0	0	112.5	L16 A17 K22	L16-A20 WeakPolarHBondContact O-CB 3.47Å; L16-A20 PolarHBondContact O-N 2.95Å; A17-A20 PolarHBondContact O-N 3.18Å; A17-A20 VanDerWaalsContact O-N 3.14Å; A20-K22 PolarHBondContact O-N 3.39Å
21	L	97	Very high	96.5	Very high	54 Å²	54	92.9 Å²	92.9	28%	0.283	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	10.8	176.7	-62.8	174.4	0	0	0	113.7	A17 T18 K19 G23 K24 V26 L29	A17-L21 WeakPolarHBondContact O-CB 3.34Å; A17-L21 VanDerWaalsContact O-CG 3.23Å; A17-L21 WeakPolarHBondContact O-CG 3.26Å; A17-L21 PolarHBondContact O-N 3Å; T18-L21 CarbonylContact O-C 3.51Å; T18-L21 PolarHBondContact O-N 3.35Å; K19-L21 VanDerWaalsContact C-N 3.29Å; K19-L21 PolarHBondContact O-N 3.01Å; L21-G23 VanDerWaalsContact C-N 3.29Å; L21-G23 PolarHBondContact O-N 2.9Å; L21-K24 HydrophobicContact CB-CB 4.03Å; L21-K24 WeakPolarHBondContact O-CG 3.42Å; L21-K24 PolarHBondContact O-N 3.29Å; L21-V26 HydrophobicContact CD1-CG1 4.05Å; L21-L29 HydrophobicContact CD1-CD1 3.9Å; L21-L29 HydrophobicContact CD1-CG 4.22Å
22	K	97	Very high	96.4	Very high	200 Å²	200	92.2 Å²	92.2	87%	0.87	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	42.6	-179.9	-56.1	-179.2	-178.8	178.9	0	113.1	T18 K19 A20	T18-K22 PolarHBondContact O-N 3.17Å; K19-K22 PolarHBondContact O-N 3.26Å; K19-K22 VanDerWaalsContact O-N 3.11Å; A20-K22 PolarHBondContact O-N 3.39Å
23	G	95	Very high	96.4	Very high	57 Å²	57	86.9 Å²	86.9	59%	0.588	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	-0.5	175.4	0	0	0	0	0	115.6	T18 L21	T18-G23 PolarHBondContact O-N 2.95Å; L21-G23 VanDerWaalsContact C-N 3.29Å; L21-G23 PolarHBondContact O-N 2.9Å
24	K	94.8	Very high	96.3	Very high	147 Å²	147	86.6 Å²	86.6	64%	0.639	46%	0.458	S	S	*	.			trans	-65.8	148.6	174	-62.2	-179.9	178.7	-173.4	0	111.3	L21 V26	L21-K24 HydrophobicContact CB-CB 4.03Å; L21-K24 WeakPolarHBondContact O-CG 3.42Å; L21-K24 PolarHBondContact O-N 3.29Å; K24-V26 PolarHBondContact O-N 3.48Å
25	D	94.9	Very high	96.3	Very high	88 Å²	88	86.6 Å²	86.6	47%	0.471	46%	0.456	S	S	.	.			trans	-63.7	123.1	176	-178.6	10.2	0	0	0	110.7	N27 T28	D25-N27 PolarHBondContact O-N 3.49Å; D25-N27 PolarHBondContact OD1-N 3.24Å; D25-N27 PolarHBondContact OD1-ND2 3.25Å; D25-T28 HydrophobicContact CB-CG2 4.29Å; D25-T28 WeakPolarHBondContact O-CB 3.29Å; D25-T28 WeakPolarHBondContact O-CG2 3.44Å; D25-T28 PolarHBondContact O-N 3.06Å; D25-T28 PolarHBondContact O-OG1 2.85Å
26	V	95.9	Very high	96.1	Very high	8 Å²	8	83 Å²	83	5%	0.048	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-70	-20.2	-179.4	-67.4	0	0	0	0	112.7	L9 A17 T18 L21 K24 T28 L29	L9-V26 HydrophobicContact CD1-CB 4.46Å; L9-V26 HydrophobicContact CD1-CG2 3.92Å; A17-V26 HydrophobicContact CB-CG1 3.62Å; T18-V26 VanDerWaalsContact OG1-CG1 3.29Å; T18-V26 WeakPolarHBondContact OG1-CG1 3.43Å; L21-V26 HydrophobicContact CD1-CG1 4.05Å; K24-V26 PolarHBondContact O-N 3.48Å; V26-T28 PolarHBondContact O-N 3.49Å; V26-L29 WeakPolarHBondContact O-CB 3.32Å; V26-L29 PolarHBondContact O-N 2.86Å
27	N	94.8	Very high	96	Very high	86 Å²	86	78 Å²	78	46%	0.46	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21.3	175.9	-64.2	-64.7	0	0	0	112.1	D25 L29 I30	D25-N27 PolarHBondContact O-N 3.49Å; D25-N27 PolarHBondContact OD1-N 3.24Å; D25-N27 PolarHBondContact OD1-ND2 3.25Å; N27-L29 PolarHBondContact O-N 2.99Å; N27-L29 VanDerWaalsContact O-N 3.17Å; N27-I30 HydrophobicContact CB-CD1 4.31Å; N27-I30 WeakPolarHBondContact O-CB 3.07Å; N27-I30 PolarHBondContact O-N 2.99Å
28	T	95	Very high	96	Very high	104 Å²	104	81.5 Å²	81.5	64%	0.638	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-64.7	-15.1	173.4	64.8	0	0	0	0	113.4	D25 V26	D25-T28 HydrophobicContact CB-CG2 4.29Å; D25-T28 WeakPolarHBondContact O-CB 3.29Å; D25-T28 WeakPolarHBondContact O-CG2 3.44Å; D25-T28 PolarHBondContact O-N 3.06Å; D25-T28 PolarHBondContact O-OG1 2.85Å; V26-T28 PolarHBondContact O-N 3.49Å
29	L	96.5	Very high	95.9	Very high	73 Å²	73	80.3 Å²	80.3	38%	0.382	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-86.3	-9	174.5	-58.7	-176.4	0	0	0	113.3	W13 L21 V26 N27 R31 P41	W13-L29 HydrophobicContact CH2-CD1 4.17Å; L21-L29 HydrophobicContact CD1-CD1 3.9Å; L21-L29 HydrophobicContact CD1-CG 4.22Å; V26-L29 WeakPolarHBondContact O-CB 3.32Å; V26-L29 PolarHBondContact O-N 2.86Å; N27-L29 PolarHBondContact O-N 2.99Å; N27-L29 VanDerWaalsContact O-N 3.17Å; L29-R31 PolarHBondContact O-N 3.29Å; L29-P41 HydrophobicContact CB-CB 4Å; L29-P41 HydrophobicContact CB-CG 3.89Å; L29-P41 HydrophobicContact CD1-CB 4.47Å
30	I	96.8	Very high	95.8	Very high	48 Å²	48	73.1 Å²	73.1	25%	0.246	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-70.8	122	174.9	-63.1	173.1	0	0	0	107.6	L9 N27 N38	L9-I30 HydrophobicContact CD1-CD1 4.17Å; L9-I30 HydrophobicContact CD1-CG1 4.41Å; L9-I30 HydrophobicContact CD2-CG1 4.47Å; L9-I30 HydrophobicContact CG-CD1 4.38Å; N27-I30 HydrophobicContact CB-CD1 4.31Å; N27-I30 WeakPolarHBondContact O-CB 3.07Å; N27-I30 PolarHBondContact O-N 2.99Å; I30-N38 HydrophobicContact CG2-CB 3.8Å
31	R	95.4	Very high	95.8	Very high	144 Å²	144	71.9 Å²	71.9	54%	0.543	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.3	178.2	-178	-177.9	176.8	-164.9	-0.3	109.2	L29 T33 M39	L29-R31 PolarHBondContact O-N 3.29Å; R31-T33 PolarHBondContact O-N 2.73Å; R31-M39 HydrophobicContact CB-CB 4.42Å; R31-M39 PolarHBondContact N-O 3.25Å; R31-M39 PolarHBondContact O-N 3.46Å
32	Q	94.7	Very high	95.9	Very high	160 Å²	160	72.1 Å²	72.1	75%	0.748	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.7	165.2	-65.5	-168	-23.1	0	0	108.9	N38	Q32-N38 WeakPolarHBondContact CG-OD1 3.22Å
33	T	96.5	Very high	95.9	Very high	13 Å²	13	63.4 Å²	63.4	8%	0.08	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-93.3	160.6	179	61.6	0	0	0	0	110.7	R31 E35 G36 I37 M39 M287	R31-T33 PolarHBondContact O-N 2.73Å; T33-E35 WeakPolarHBondContact CB-OE2 3.5Å; T33-E35 PolarHBondContact O-N 2.81Å; T33-G36 PolarHBondContact O-N 2.8Å; T33-G36 VanDerWaalsContact O-N 3.08Å; T33-I37 WeakPolarHBondContact CB-O 3.18Å; T33-I37 WeakPolarHBondContact CG2-O 3.28Å; T33-I37 PolarHBondContact N-O 2.96Å; T33-I37 WeakPolarHBondContact OG1-CA 3.18Å; T33-I37 WeakPolarHBondContact OG1-CB 3.47Å; T33-I37 PolarHBondContact OG1-N 2.75Å; T33-I37 PolarHBondContact OG1-O 3.25Å; T33-M39 HydrophobicContact CG2-CB 3.99Å; T33-M287 HydrophobicContact CG2-CE 4.24Å
34	A	95.5	Very high	96	Very high	53 Å²	53	61.9 Å²	61.9	44%	0.438	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.1	177.4	0	0	0	0	0	111.8	G36 D242	A34-G36 PolarHBondContact O-N 3.38Å; A34-D242 HydrophobicContact CB-CB 4.26Å
35	E	97	Very high	96.1	Very high	21 Å²	21	60.8 Å²	60.8	10%	0.098	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	0.2	177.4	-63.8	74.2	-166.6	0	0	113.7	T33 I37 D242 A243 A244 M287 L408	T33-E35 WeakPolarHBondContact CB-OE2 3.5Å; T33-E35 PolarHBondContact O-N 2.81Å; E35-I37 VanDerWaalsContact C-N 3.3Å; E35-I37 HydrophobicContact CB-CD1 4.24Å; E35-I37 HydrophobicContact CB-CG1 4.36Å; E35-I37 PolarHBondContact O-N 2.81Å; E35-D242 HydrophobicContact CG-CB 4.08Å; E35-A243 HydrophobicContact CG-CB 3.87Å; E35-A243 WeakPolarHBondContact OE1-CB 3.26Å; E35-A243 PolarHBondContact OE1-N 3.27Å; E35-A243 VanDerWaalsContact OE1-N 3.16Å; E35-A244 HydrophobicContact CB-CB 4.16Å; E35-A244 HydrophobicContact CG-CB 4.23Å; E35-M287 HydrophobicContact CB-CE 4.23Å; E35-M287 HydrophobicContact CG-CE 4.02Å; E35-M287 HydrophobicContact CG-CG 4.34Å; E35-M287 HydrophobicContact CG-SD 4.15Å; E35-L408 HydrophobicContact CG-CD1 4.46Å
36	G	94.6	Very high	96.1	Very high	65 Å²	65	59.6 Å²	59.6	67%	0.67	33%	0.327	S	S	*	.	S	Bend	trans	74.6	18.8	-176.3	0	0	0	0	0	113.9	T33 A34	T33-G36 PolarHBondContact O-N 2.8Å; T33-G36 VanDerWaalsContact O-N 3.08Å; A34-G36 PolarHBondContact O-N 3.38Å
37	I	96	Very high	96	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	33%	0.326	C	S	.	.			trans	-98.3	133.1	177.8	-63	170.2	0	0	0	109.8	T33 E35 M39 M287 L404 E407 L408 V411	T33-I37 WeakPolarHBondContact CB-O 3.18Å; T33-I37 WeakPolarHBondContact CG2-O 3.28Å; T33-I37 PolarHBondContact N-O 2.96Å; T33-I37 WeakPolarHBondContact OG1-CA 3.18Å; T33-I37 WeakPolarHBondContact OG1-CB 3.47Å; T33-I37 PolarHBondContact OG1-N 2.75Å; T33-I37 PolarHBondContact OG1-O 3.25Å; E35-I37 VanDerWaalsContact C-N 3.3Å; E35-I37 HydrophobicContact CB-CD1 4.24Å; E35-I37 HydrophobicContact CB-CG1 4.36Å; E35-I37 PolarHBondContact O-N 2.81Å; I37-M39 PolarHBondContact O-N 2.91Å; I37-M287 HydrophobicContact CD1-CE 4.12Å; I37-M287 HydrophobicContact CD1-SD 4.39Å; I37-L404 HydrophobicContact CD1-CD1 4.25Å; I37-L404 HydrophobicContact CG2-CD1 4Å; I37-E407 HydrophobicContact CD1-CB 4.05Å; I37-E407 HydrophobicContact CG1-CB 4.33Å; I37-E407 HydrophobicContact CG2-CB 4.2Å; I37-E407 WeakPolarHBondContact CG2-OE2 3.42Å; I37-L408 HydrophobicContact CD1-CB 4.18Å; I37-L408 HydrophobicContact CD1-CD1 4.08Å; I37-V411 HydrophobicContact CD1-CG2 4.47Å; I37-V411 HydrophobicContact CG1-CG2 4.1Å
38	N	95.7	Very high	96	Very high	85 Å²	85	56.5 Å²	56.5	46%	0.455	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	86.3	175	-74.7	-32	0	0	0	110	I30 Q32 K40	I30-N38 HydrophobicContact CG2-CB 3.8Å; Q32-N38 WeakPolarHBondContact CG-OD1 3.22Å; N38-K40 PolarHBondContact O-N 3.18Å
39	M	95.7	Very high	95.7	Very high	24 Å²	24	59 Å²	59	12%	0.118	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.5	-177.4	-173.9	174.3	173	0	0	110.7	R31 T33 I37 Y43 Y286 L400	R31-M39 HydrophobicContact CB-CB 4.42Å; R31-M39 PolarHBondContact N-O 3.25Å; R31-M39 PolarHBondContact O-N 3.46Å; T33-M39 HydrophobicContact CG2-CB 3.99Å; I37-M39 PolarHBondContact O-N 2.91Å; M39-Y43 HydrophobicContact CG-CE2 4.48Å; M39-Y286 HydrophobicContact CE-CD2 3.82Å; M39-Y286 HydrophobicContact CE-CE2 4.43Å; M39-Y286 HydrophobicContact CE-CG 4.49Å; M39-L400 HydrophobicContact CE-CD1 3.7Å; M39-L400 HydrophobicContact CE-CD2 3.96Å; M39-L400 HydrophobicContact CE-CG 4.48Å
40	K	97.1	Very high	95.2	Very high	20 Å²	20	59.6 Å²	59.6	9%	0.087	32%	0.323	C	S	.	.			trans	-76.2	148.8	-177.9	-60.6	-171.2	-60.1	176.4	0	111.6	V7 P8 L9 N38 L42 Y43 D47	V7-K40 WeakPolarHBondContact O-CD 3.13Å; V7-K40 PolarHBondContact O-NZ 3.33Å; P8-K40 PolarHBondContact O-NZ 3.38Å; L9-K40 HydrophobicContact CD2-CB 4.1Å; L9-K40 HydrophobicContact CD2-CD 4.04Å; L9-K40 HydrophobicContact CD2-CG 4.16Å; N38-K40 PolarHBondContact O-N 3.18Å; K40-L42 WeakPolarHBondContact CB-O 3.03Å; K40-L42 PolarHBondContact O-N 2.82Å; K40-Y43 HydrophobicContact CB-CD2 4.22Å; K40-Y43 HydrophobicContact CB-CE1 4.41Å; K40-Y43 HydrophobicContact CB-CE2 3.69Å; K40-Y43 PolarHBondContact N-OH 3.24Å; K40-Y43 VanDerWaalsContact O-CE2 3.26Å; K40-Y43 WeakPolarHBondContact O-CE2 3.45Å; K40-D47 WeakPolarHBondContact CE-OD1 3.4Å; K40-D47 VanDerWaalsContact NZ-CG 3.28Å; K40-D47 IonicContact NZ-OD1 3.93Å; K40-D47 PolarHBondContact NZ-OD1 3.35Å; K40-D47 IonicContact NZ-OD2 2.69Å; K40-D47 PolarHBondContact NZ-OD2 2.81Å
41	P	97.2	Very high	94.7	Very high	55 Å²	55	59.1 Å²	59.1	36%	0.357	32%	0.321	S	S	.	.	S	Bend	trans	-68.8	-18.9	171.3	29.8	-38.8	0	0	0	113.6	L9 W13 L29	L9-P41 HydrophobicContact CD2-CG 3.99Å; W13-P41 HydrophobicContact CH2-CB 3.78Å; W13-P41 HydrophobicContact CH2-CG 3.23Å; W13-P41 HydrophobicContact CZ2-CB 4.1Å; W13-P41 HydrophobicContact CZ2-CG 4.01Å; W13-P41 HydrophobicContact CZ3-CG 3.78Å; L29-P41 HydrophobicContact CB-CB 4Å; L29-P41 HydrophobicContact CB-CG 3.89Å; L29-P41 HydrophobicContact CD1-CB 4.47Å
42	L	97.5	Very high	94.5	Very high	59 Å²	59	62.1 Å²	62.1	31%	0.309	33%	0.333	S	S	.	.			trans	-144.7	137.7	175.1	-178.3	72.3	0	0	0	110.7	W13 K40 T44	W13-L42 HydrophobicContact CB-CD2 3.65Å; W13-L42 HydrophobicContact CD2-CB 4.01Å; W13-L42 HydrophobicContact CD2-CD2 3.8Å; W13-L42 HydrophobicContact CE3-CB 4.45Å; W13-L42 HydrophobicContact CG-CB 4.39Å; W13-L42 HydrophobicContact CG-CD2 3.26Å; W13-L42 HydrophobicContact CG-CG 4.41Å; W13-L42 HydrophobicContact CZ2-CB 4.24Å; K40-L42 WeakPolarHBondContact CB-O 3.03Å; K40-L42 PolarHBondContact O-N 2.82Å; L42-T44 HydrophobicContact CD2-CG2 3.89Å; L42-T44 HydrophobicContact CG-CG2 4.13Å
43	Y	97.6	Very high	94.4	Very high	18 Å²	18	61.8 Å²	61.8	7%	0.071	34%	0.336	C	S	.	.			trans	-118.2	146.9	168.7	-67.8	-100.7	0	0	0	109.5	M39 K40 D47 Y399 L400 S403	M39-Y43 HydrophobicContact CG-CE2 4.48Å; K40-Y43 HydrophobicContact CB-CD2 4.22Å; K40-Y43 HydrophobicContact CB-CE1 4.41Å; K40-Y43 HydrophobicContact CB-CE2 3.69Å; K40-Y43 PolarHBondContact N-OH 3.24Å; K40-Y43 VanDerWaalsContact O-CE2 3.26Å; K40-Y43 WeakPolarHBondContact O-CE2 3.45Å; Y43-D47 WeakPolarHBondContact CA-OD2 3.34Å; Y43-D47 HydrophobicContact CD1-CB 4.09Å; Y43-Y399 WeakPolarHBondContact O-CD2 3.43Å; Y43-L400 HydrophobicContact CD2-CB 3.94Å; Y43-L400 HydrophobicContact CD2-CD1 3.63Å; Y43-L400 HydrophobicContact CD2-CG 4.36Å; Y43-L400 HydrophobicContact CE2-CB 4.49Å; Y43-L400 HydrophobicContact CE2-CD1 3.3Å; Y43-L400 HydrophobicContact CE2-CG 4.45Å; Y43-L400 HydrophobicContact CG-CB 4.2Å; Y43-L400 HydrophobicContact CG-CD1 4.4Å; Y43-S403 WeakPolarHBondContact CE1-OG 3.3Å
44	T	97.3	Very high	94.4	Very high	24 Å²	24	62.5 Å²	62.5	15%	0.147	34%	0.339	C	S	.	.			trans	-134.2	179.6	-174	67.4	0	0	0	0	111.2	H10 L42 D46 D47 Y399	H10-T44 HydrophobicContact CB-CG2 3.94Å; L42-T44 HydrophobicContact CD2-CG2 3.89Å; L42-T44 HydrophobicContact CG-CG2 4.13Å; T44-D46 PolarHBondContact O-N 3.34Å; T44-D46 VanDerWaalsContact O-N 3.13Å; T44-D46 PolarHBondContact OG1-N 3.11Å; T44-D47 PolarHBondContact N-OD2 3.1Å; T44-D47 VanDerWaalsContact O-CB 3.32Å; T44-D47 WeakPolarHBondContact O-CB 3.12Å; T44-D47 PolarHBondContact O-N 3.41Å; T44-D47 PolarHBondContact OG1-OD2 3.35Å; T44-Y399 VanDerWaalsContact C-CG 3.5Å
45	M	95.9	Very high	94.5	Very high	124 Å²	124	64.8 Å²	64.8	61%	0.611	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-55.7	-29.4	175.5	-173.3	176.3	-73.4	0	0	113.2	D47 V48 Y399	M45-D47 PolarHBondContact O-N 3.25Å; M45-V48 WeakPolarHBondContact O-CG2 3.36Å; M45-V48 PolarHBondContact O-N 3Å; M45-Y399 HydrophobicContact CB-CE1 4.34Å
46	D	94.8	Very high	94.6	Very high	64 Å²	64	64.8 Å²	64.8	34%	0.342	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-61.8	-30.8	177.5	-74	-17.9	0	0	0	112.8	V7 T44 V48 K49	V7-D46 HydrophobicContact CG1-CB 4.24Å; T44-D46 PolarHBondContact O-N 3.34Å; T44-D46 VanDerWaalsContact O-N 3.13Å; T44-D46 PolarHBondContact OG1-N 3.11Å; D46-V48 VanDerWaalsContact C-N 3.25Å; D46-V48 PolarHBondContact O-N 3.35Å; D46-K49 WeakPolarHBondContact OD1-CE 3.41Å; D46-K49 IonicContact OD1-NZ 3.09Å; D46-K49 PolarHBondContact OD1-NZ 2.99Å
47	D	95.4	Very high	94.7	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.016	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-71.1	-18.7	-179.6	-67.7	-74.1	0	0	0	113.6	Y4 V7 K40 Y43 T44 M45	Y4-D47 PolarHBondContact OH-O 3Å; Y4-D47 VanDerWaalsContact OH-O 3.07Å; V7-D47 WeakPolarHBondContact CB-OD1 3.33Å; K40-D47 WeakPolarHBondContact CE-OD1 3.4Å; K40-D47 VanDerWaalsContact NZ-CG 3.28Å; K40-D47 IonicContact NZ-OD1 3.93Å; K40-D47 PolarHBondContact NZ-OD1 3.35Å; K40-D47 IonicContact NZ-OD2 2.69Å; K40-D47 PolarHBondContact NZ-OD2 2.81Å; Y43-D47 WeakPolarHBondContact CA-OD2 3.34Å; Y43-D47 HydrophobicContact CD1-CB 4.09Å; T44-D47 PolarHBondContact N-OD2 3.1Å; T44-D47 VanDerWaalsContact O-CB 3.32Å; T44-D47 WeakPolarHBondContact O-CB 3.12Å; T44-D47 PolarHBondContact O-N 3.41Å; T44-D47 PolarHBondContact OG1-OD2 3.35Å; M45-D47 PolarHBondContact O-N 3.25Å
48	V	93.2	Very high	94.8	Very high	26 Å²	26	66.1 Å²	66.1	16%	0.158	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-116.7	10.9	-174.2	-61.8	0	0	0	0	113.8	M45 D46 C50 V51 Y399 E402	M45-V48 WeakPolarHBondContact O-CG2 3.36Å; M45-V48 PolarHBondContact O-N 3Å; D46-V48 VanDerWaalsContact C-N 3.25Å; D46-V48 PolarHBondContact O-N 3.35Å; V48-C50 PolarHBondContact O-N 3.23Å; V48-C50 VanDerWaalsContact O-N 3.11Å; V48-V51 HydrophobicContact CB-CB 4.22Å; V48-V51 HydrophobicContact CB-CG2 3.82Å; V48-V51 HydrophobicContact CG1-CG2 4.08Å; V48-V51 WeakPolarHBondContact O-CB 3.43Å; V48-V51 PolarHBondContact O-N 3.02Å; V48-Y399 HydrophobicContact CG1-CD1 4.13Å; V48-Y399 HydrophobicContact CG2-CD1 3.59Å; V48-Y399 HydrophobicContact CG2-CE1 3.97Å; V48-E402 HydrophobicContact CG1-CB 3.77Å; V48-E402 HydrophobicContact CG1-CG 4.4Å
49	K	90.6	Very high	94.9	Very high	156 Å²	156	66 Å²	66	68%	0.678	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.6	179.7	-75.4	179.1	177.6	165	0	114.1	D46	D46-K49 WeakPolarHBondContact OD1-CE 3.41Å; D46-K49 IonicContact OD1-NZ 3.09Å; D46-K49 PolarHBondContact OD1-NZ 2.99Å
50	C	85.4	Confident	95	Very high	86 Å²	86	65.8 Å²	65.8	58%	0.581	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.3	179.2	64.5	0	0	0	0	113.8	V48	V48-C50 PolarHBondContact O-N 3.23Å; V48-C50 VanDerWaalsContact O-N 3.11Å
51	V	87	Confident	95.1	Very high	37 Å²	37	65.1 Å²	65.1	22%	0.224	34%	0.337	C	S	.	.			trans	-78.1	126.9	-179	-179	0	0	0	0	108.6	V48 E402	V48-V51 HydrophobicContact CB-CB 4.22Å; V48-V51 HydrophobicContact CB-CG2 3.82Å; V48-V51 HydrophobicContact CG1-CG2 4.08Å; V48-V51 WeakPolarHBondContact O-CB 3.43Å; V48-V51 PolarHBondContact O-N 3.02Å; V51-E402 HydrophobicContact CG1-CB 4.24Å; V51-E402 HydrophobicContact CG1-CG 4.13Å; V51-E402 HydrophobicContact CG2-CB 3.86Å
52	R	89.4	Confident	95.1	Very high	208 Å²	208	62.5 Å²	62.5	79%	0.785	32%	0.32	S	S	*	.			trans	-80.6	154.1	177.6	-63.4	-178.9	-175.3	176.8	1	110.2	E54	R52-E54 HydrophobicContact CB-CG 4.5Å; R52-E54 PolarHBondContact O-N 3.35Å
53	D	92.5	Very high	95.2	Very high	152 Å²	152	62 Å²	62	81%	0.813	31%	0.314	S	S	*	.			trans	-71.2	96.6	169.4	-168.7	19.6	0	0	0	109.4
54	E	96.8	Very high	95.2	Very high	28 Å²	28	61.1 Å²	61.1	13%	0.131	31%	0.31	C	S	.	.			trans	-97.8	152.8	-180	-67.7	-171.9	-145.9	0	0	111.3	R52 S62 R63 R297	R52-E54 HydrophobicContact CB-CG 4.5Å; R52-E54 PolarHBondContact O-N 3.35Å; E54-S62 VanDerWaalsContact CD-OG 3.31Å; E54-S62 PolarHBondContact OE1-OG 3.46Å; E54-S62 WeakPolarHBondContact OE2-CB 3.39Å; E54-S62 PolarHBondContact OE2-OG 3.39Å; E54-R63 HydrophobicContact CB-CG 4.01Å; E54-R63 WeakPolarHBondContact O-CD 3.41Å; E54-R63 PolarHBondContact O-NH1 3.28Å; E54-R297 IonicContact OE1-CZ 2.83Å; E54-R297 IonicContact OE1-NE 3.9Å; E54-R297 IonicContact OE1-NH2 3.45Å; E54-R297 PolarHBondContact OE1-NH2 2.92Å
55	L	98.4	Very high	95.2	Very high	101 Å²	101	60 Å²	60	53%	0.529	30%	0.303	S	S	.	.			trans	-124.6	146	177	-65.8	174.9	0	0	0	111.2	V58	L55-V58 HydrophobicContact CB-CB 4.3Å; L55-V58 HydrophobicContact CB-CG2 3.95Å; L55-V58 PolarHBondContact O-N 3.23Å
56	P	98.3	Very high	95.3	Very high	22 Å²	22	58.2 Å²	58.2	14%	0.143	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	141.3	171.3	27.5	-35.1	0	0	0	110.6	V58 R63 P67 M69 A392	P56-V58 PolarHBondContact O-N 2.86Å; P56-R63 HydrophobicContact CB-CB 4.3Å; P56-P67 WeakPolarHBondContact CG-O 3.45Å; P56-P67 WeakPolarHBondContact O-CA 3.45Å; P56-M69 HydrophobicContact CB-CG 4.25Å; P56-A392 HydrophobicContact CG-CB 4.27Å
57	G	97.8	Very high	95.5	Very high	18 Å²	18	59.6 Å²	59.6	19%	0.186	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	1.3	-177.3	0	0	0	0	0	115.4	F61 G64	G57-F61 WeakPolarHBondContact O-CE1 3.36Å; G57-G64 PolarHBondContact N-O 2.96Å
58	V	98.2	Very high	95.7	Very high	79 Å²	79	63 Å²	63	48%	0.479	32%	0.324	S	S	.	.	S	Bend	trans	-112.9	139.2	175.9	-176.8	0	0	0	0	109.4	L55 P56 F61	L55-V58 HydrophobicContact CB-CB 4.3Å; L55-V58 HydrophobicContact CB-CG2 3.95Å; L55-V58 PolarHBondContact O-N 3.23Å; P56-V58 PolarHBondContact O-N 2.86Å; V58-F61 VanDerWaalsContact O-CA 3.27Å; V58-F61 WeakPolarHBondContact O-CA 3.43Å; V58-F61 PolarHBondContact O-N 3.17Å
59	F	97.8	Very high	95.9	Very high	81 Å²	81	62.5 Å²	62.5	36%	0.355	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	132	174.4	175.4	-86.3	0	0	0	110.6	F61 A300 K304 L315	F59-F61 HydrophobicContact CB-CE2 4.1Å; F59-F61 HydrophobicContact CB-CZ 4.33Å; F59-F61 HydrophobicContact CD2-CE2 4.23Å; F59-A300 HydrophobicContact CD2-CB 3.96Å; F59-A300 HydrophobicContact CE2-CB 3.85Å; F59-K304 HydrophobicContact CE2-CB 4.46Å; F59-K304 HydrophobicContact CE2-CD 3.86Å; F59-K304 HydrophobicContact CZ-CD 3.9Å; F59-L315 HydrophobicContact CD2-CD1 4.02Å; F59-L315 HydrophobicContact CE2-CD1 4.43Å
60	P	97.4	Very high	96.3	Very high	20 Å²	20	56.1 Å²	56.1	13%	0.13	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.4	22	13.1	39.6	-37.1	0	0	0	114.5	S62 R296 R297 A300	P60-S62 VanDerWaalsContact C-N 3.26Å; P60-S62 PolarHBondContact O-N 3.12Å; P60-R296 CarbonylContact O-C 3.51Å; P60-R297 HydrophobicContact CB-CG 4Å; P60-R297 HydrophobicContact CG-CG 3.91Å; P60-R297 WeakPolarHBondContact O-CA 3.33Å; P60-A300 HydrophobicContact CB-CB 4.49Å
61	F	98.3	Very high	96.9	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.026	28%	0.283	C	S	.	.			trans	63.8	19	173.7	-46.1	-81.1	0	0	0	115.2	G57 V58 F59 R63 G64 R296 A300 L315 R316	G57-F61 WeakPolarHBondContact O-CE1 3.36Å; V58-F61 VanDerWaalsContact O-CA 3.27Å; V58-F61 WeakPolarHBondContact O-CA 3.43Å; V58-F61 PolarHBondContact O-N 3.17Å; F59-F61 HydrophobicContact CB-CE2 4.1Å; F59-F61 HydrophobicContact CB-CZ 4.33Å; F59-F61 HydrophobicContact CD2-CE2 4.23Å; F61-R63 PolarHBondContact O-N 3.39Å; F61-G64 CarbonylContact O-C 3.59Å; F61-G64 PolarHBondContact O-N 3.29Å; F61-R296 HydrophobicContact CB-CB 4.34Å; F61-R296 WeakPolarHBondContact O-CB 3.31Å; F61-R296 WeakPolarHBondContact O-CD 3.17Å; F61-R296 PolarHBondContact O-NE 3.3Å; F61-A300 HydrophobicContact CD2-CB 3.8Å; F61-A300 HydrophobicContact CE2-CB 4.21Å; F61-L315 HydrophobicContact CE2-CB 3.77Å; F61-L315 HydrophobicContact CZ-CB 4.49Å; F61-R316 HydrophobicContact CD1-CG 4.4Å; F61-R316 HydrophobicContact CE1-CG 4.03Å; F61-R316 HydrophobicContact CE2-CG 4.42Å; F61-R316 HydrophobicContact CZ-CG 4.04Å
62	S	97.9	Very high	97.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37	-178.5	-35.4	0	0	0	0	111.4	E54 P60 G64 R296 R297	E54-S62 VanDerWaalsContact CD-OG 3.31Å; E54-S62 PolarHBondContact OE1-OG 3.46Å; E54-S62 WeakPolarHBondContact OE2-CB 3.39Å; E54-S62 PolarHBondContact OE2-OG 3.39Å; P60-S62 VanDerWaalsContact C-N 3.26Å; P60-S62 PolarHBondContact O-N 3.12Å; S62-G64 VanDerWaalsContact C-N 3.28Å; S62-G64 PolarHBondContact O-N 3.49Å; S62-R296 PolarHBondContact O-NE 3.32Å; S62-R296 PolarHBondContact O-NH2 2.74Å; S62-R297 PolarHBondContact OG-NE 3.28Å; S62-R297 PolarHBondContact OG-NH2 2.99Å
63	R	98.6	Very high	97.7	Very high	49 Å²	49	56 Å²	56	19%	0.185	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	0.9	177.6	-53.7	-160.8	73.4	178.5	-1.2	115.1	E54 P56 F61 D393	E54-R63 HydrophobicContact CB-CG 4.01Å; E54-R63 WeakPolarHBondContact O-CD 3.41Å; E54-R63 PolarHBondContact O-NH1 3.28Å; P56-R63 HydrophobicContact CB-CB 4.3Å; F61-R63 PolarHBondContact O-N 3.39Å; R63-D393 HydrophobicContact CB-CB 3.87Å; R63-D393 WeakPolarHBondContact CB-OD2 3.21Å; R63-D393 WeakPolarHBondContact CD-OD2 3.36Å; R63-D393 HydrophobicContact CG-CB 4.49Å; R63-D393 WeakPolarHBondContact CG-OD2 3.41Å; R63-D393 IonicContact CZ-OD2 2.98Å; R63-D393 IonicContact NE-OD2 3.15Å; R63-D393 PolarHBondContact NE-OD2 2.82Å; R63-D393 PolarHBondContact NH2-O 2.74Å; R63-D393 IonicContact NH2-OD2 2.69Å; R63-D393 WeakPolarHBondContact O-CB 3.34Å
64	G	98.5	Very high	97.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.			trans	130.8	151.9	175.9	0	0	0	0	0	113.2	G57 F61 S62 Y66	G57-G64 PolarHBondContact N-O 2.96Å; F61-G64 CarbonylContact O-C 3.59Å; F61-G64 PolarHBondContact O-N 3.29Å; S62-G64 VanDerWaalsContact C-N 3.28Å; S62-G64 PolarHBondContact O-N 3.49Å; G64-Y66 VanDerWaalsContact C-N 3.32Å; G64-Y66 PolarHBondContact O-N 2.96Å
65	P	98.1	Very high	97.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-76.5	-14.7	-174.9	29.2	-34.1	0	0	0	114.3	M69 R316 Q353	P65-M69 HydrophobicContact CG-SD 4.49Å; P65-R316 HydrophobicContact CB-CB 4.38Å; P65-Q353 VanDerWaalsContact CG-NE2 3.33Å
66	Y	98.3	Very high	97.7	Very high	86 Å²	86	46 Å²	46	34%	0.337	25%	0.249	S	C	.	.	S	Bend	trans	-128.6	143.3	-176.7	-55.9	-65.5	0	0	0	111.6	G64 T68 M69 R318 Q353	G64-Y66 VanDerWaalsContact C-N 3.32Å; G64-Y66 PolarHBondContact O-N 2.96Å; Y66-T68 PolarHBondContact O-N 2.75Å; Y66-M69 WeakPolarHBondContact O-CG 3.49Å; Y66-M69 PolarHBondContact O-N 3.5Å; Y66-R318 VanDerWaalsContact OH-CD 3.26Å; Y66-R318 WeakPolarHBondContact OH-CD 3.31Å; Y66-Q353 HydrophobicContact CE2-CG 3.9Å
67	P	98.2	Very high	97.5	Very high	93 Å²	93	45.1 Å²	45.1	60%	0.604	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-43.5	-175.3	-26	34.2	0	0	0	114.7	P56	P56-P67 WeakPolarHBondContact CG-O 3.45Å; P56-P67 WeakPolarHBondContact O-CA 3.45Å
68	T	98.5	Very high	97.1	Very high	74 Å²	74	45.8 Å²	45.8	45%	0.454	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-14.5	-175.5	57.1	0	0	0	0	113.1	Y66 Y70 T71	Y66-T68 PolarHBondContact O-N 2.75Å; T68-Y70 PolarHBondContact O-N 3.22Å; T68-Y70 VanDerWaalsContact O-N 3.15Å; T68-T71 WeakPolarHBondContact O-CB 3.44Å; T68-T71 WeakPolarHBondContact O-CG2 3.32Å; T68-T71 PolarHBondContact O-N 3.2Å; T68-T71 PolarHBondContact O-OG1 3.23Å
69	M	98.5	Very high	96.7	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.079	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	38.7	-123.4	-166.8	-67.5	-59.8	-69.7	0	0	110.8	P56 P65 Y66 G351 A392	P56-M69 HydrophobicContact CB-CG 4.25Å; P65-M69 HydrophobicContact CG-SD 4.49Å; Y66-M69 WeakPolarHBondContact O-CG 3.49Å; Y66-M69 PolarHBondContact O-N 3.5Å; M69-G351 WeakPolarHBondContact CE-O 3.25Å; M69-A392 HydrophobicContact CB-CB 3.97Å; M69-A392 HydrophobicContact CG-CB 4.1Å
70	Y	98.6	Very high	95.6	Very high	22 Å²	22	41.6 Å²	41.6	9%	0.086	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-84.5	-6.6	-175.1	-47.9	-41.9	0	0	0	115.5	T68 S72 R73 W75 V348 G351 T352 P389	T68-Y70 PolarHBondContact O-N 3.22Å; T68-Y70 VanDerWaalsContact O-N 3.15Å; Y70-S72 PolarHBondContact O-N 2.88Å; Y70-S72 VanDerWaalsContact O-N 3.15Å; Y70-R73 WeakPolarHBondContact CA-O 3.41Å; Y70-W75 HydrophobicContact CD1-CE3 4.24Å; Y70-W75 HydrophobicContact CD2-CE3 4.11Å; Y70-W75 HydrophobicContact CD2-CZ3 4.34Å; Y70-W75 HydrophobicContact CE1-CB 3.85Å; Y70-W75 HydrophobicContact CE1-CE3 4.11Å; Y70-W75 AromaticContact CE2-CE3 3.97Å; Y70-W75 HydrophobicContact CE2-CE3 3.97Å; Y70-W75 HydrophobicContact CE2-CZ3 4.4Å; Y70-W75 HydrophobicContact CG-CE3 4.23Å; Y70-W75 AromaticContact CZ-CE3 3.95Å; Y70-V348 HydrophobicContact CD2-CG1 4.45Å; Y70-V348 HydrophobicContact CE2-CG1 3.99Å; Y70-V348 WeakPolarHBondContact CE2-O 3.5Å; Y70-G351 VanDerWaalsContact OH-CA 3.26Å; Y70-G351 WeakPolarHBondContact OH-CA 3.48Å; Y70-T352 VanDerWaalsContact CE1-O 3.24Å; Y70-T352 WeakPolarHBondContact CE1-O 3.22Å; Y70-T352 VanDerWaalsContact CZ-O 3.28Å; Y70-T352 PolarHBondContact OH-N 3.2Å; Y70-T352 PolarHBondContact OH-O 3.07Å; Y70-P389 CarbonylContact C-O 3.36Å; Y70-P389 VanDerWaalsContact C-O 3.23Å
71	T	98.3	Very high	94.2	Very high	66 Å²	66	41.3 Å²	41.3	41%	0.405	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-64.6	-23.8	-174.1	63.1	0	0	0	0	113.1	T68 P389	T68-T71 WeakPolarHBondContact O-CB 3.44Å; T68-T71 WeakPolarHBondContact O-CG2 3.32Å; T68-T71 PolarHBondContact O-N 3.2Å; T68-T71 PolarHBondContact O-OG1 3.23Å; T71-P389 WeakPolarHBondContact CA-O 3.46Å; T71-P389 PolarHBondContact N-O 2.98Å
72	S	96.2	Very high	92.7	Very high	102 Å²	102	41.7 Å²	41.7	71%	0.713	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-50.3	173.8	174.6	0	0	0	0	111.9	Y70	Y70-S72 PolarHBondContact O-N 2.88Å; Y70-S72 VanDerWaalsContact O-N 3.15Å
73	R	95.7	Very high	91.6	Very high	160 Å²	160	43.6 Å²	43.6	60%	0.604	23%	0.227	S	C	*	.	S	Bend	trans	-140.8	128.8	179.2	-175.5	-179.4	175.3	176.3	0	110	Y70	Y70-R73 WeakPolarHBondContact CA-O 3.41Å
74	P	97.4	Very high	90.7	Very high	40 Å²	40	41.6 Å²	41.6	26%	0.26	22%	0.221	S	C	.	.			trans	-69.5	174.8	-180	31.9	-37	0	0	0	112.2	Q383	P74-Q383 HydrophobicContact CB-CG 3.9Å; P74-Q383 HydrophobicContact CG-CG 4.28Å
75	W	97.3	Very high	90.2	Very high	3 Å²	3	43 Å²	43	1%	0.011	23%	0.23	C	C	.	.			trans	-58.8	158.4	171.2	67.6	91.8	0	0	0	111.2	Y70 V348 T352 Q353 Q379 L382 Q383 P389	Y70-W75 HydrophobicContact CD1-CE3 4.24Å; Y70-W75 HydrophobicContact CD2-CE3 4.11Å; Y70-W75 HydrophobicContact CD2-CZ3 4.34Å; Y70-W75 HydrophobicContact CE1-CB 3.85Å; Y70-W75 HydrophobicContact CE1-CE3 4.11Å; Y70-W75 AromaticContact CE2-CE3 3.97Å; Y70-W75 HydrophobicContact CE2-CE3 3.97Å; Y70-W75 HydrophobicContact CE2-CZ3 4.4Å; Y70-W75 HydrophobicContact CG-CE3 4.23Å; Y70-W75 AromaticContact CZ-CE3 3.95Å; W75-V348 HydrophobicContact CD2-CG2 4.07Å; W75-V348 HydrophobicContact CE3-CG1 4.18Å; W75-V348 HydrophobicContact CE3-CG2 3.88Å; W75-V348 HydrophobicContact CH2-CB 4.33Å; W75-V348 HydrophobicContact CH2-CG1 3.95Å; W75-V348 HydrophobicContact CH2-CG2 3.35Å; W75-V348 HydrophobicContact CZ2-CG2 3.53Å; W75-V348 HydrophobicContact CZ3-CB 4.18Å; W75-V348 HydrophobicContact CZ3-CG1 3.53Å; W75-V348 HydrophobicContact CZ3-CG2 3.53Å; W75-T352 HydrophobicContact CB-CG2 4.44Å; W75-Q353 WeakPolarHBondContact CA-O 3.46Å; W75-Q379 HydrophobicContact CZ2-CB 4.46Å; W75-L382 HydrophobicContact CH2-CB 3.87Å; W75-L382 HydrophobicContact CZ2-CB 4.09Å; W75-Q383 HydrophobicContact CH2-CG 3.52Å; W75-Q383 HydrophobicContact CZ2-CG 3.53Å; W75-Q383 HydrophobicContact CZ3-CG 4.06Å; W75-Q383 PolarHBondContact O-NE2 3.16Å; W75-P389 HydrophobicContact CZ3-CG 4.21Å
76	T	93.6	Very high	89.9	Confident	29 Å²	29	43 Å²	43	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.7	178.2	-51	0	0	0	0	110.6	R78 Q102 Q353 S354 L355	T76-R78 HydrophobicContact CG2-CG 3.87Å; T76-R78 PolarHBondContact O-N 2.84Å; T76-Q102 HydrophobicContact CG2-CB 3.72Å; T76-Q353 PolarHBondContact N-O 3.37Å; T76-S354 WeakPolarHBondContact O-CA 3.44Å; T76-S354 VanDerWaalsContact O-CB 3.27Å; T76-S354 WeakPolarHBondContact O-CB 3.38Å; T76-L355 PolarHBondContact O-N 3.01Å; T76-L355 VanDerWaalsContact O-N 3.07Å
77	I	93.7	Very high	89.6	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	110.5	169.9	-57.2	179.8	0	0	0	108.1	Q79 R376 Q379 I380	I77-Q79 HydrophobicContact CG2-CG 4.49Å; I77-R376 HydrophobicContact CG2-CG 4.33Å; I77-Q379 HydrophobicContact CD1-CB 4.01Å; I77-Q379 HydrophobicContact CG1-CB 4.06Å; I77-I380 HydrophobicContact CD1-CG1 3.71Å
78	R	91.2	Very high	89.2	Confident	32 Å²	32	43.7 Å²	43.7	12%	0.121	23%	0.228	C	C	.	.			trans	-126.7	86.5	179.1	-76	-168.4	-174.3	-89.6	0.5	109.7	T76 L104 S153 L355 H356	T76-R78 HydrophobicContact CG2-CG 3.87Å; T76-R78 PolarHBondContact O-N 2.84Å; R78-L104 PolarHBondContact NH1-O 3.02Å; R78-S153 PolarHBondContact NH1-O 3.19Å; R78-S153 PolarHBondContact NH2-OG 3.33Å; R78-L355 CarbonylContact C-O 3.55Å; R78-L355 PolarHBondContact N-O 3.32Å; R78-H356 WeakPolarHBondContact O-CA 3.4Å; R78-H356 WeakPolarHBondContact O-CB 3.26Å
79	Q	88.8	Confident	88.8	Confident	11 Å²	11	40.1 Å²	40.1	5%	0.051	21%	0.206	C	C	.	.			trans	-73.1	129.7	169.4	-65.5	-58	98.5	0	0	109.5	I77 Q101 T357 R376	I77-Q79 HydrophobicContact CG2-CG 4.49Å; Q79-Q101 PolarHBondContact O-NE2 3.5Å; Q79-T357 PolarHBondContact NE2-O 3.33Å; Q79-T357 VanDerWaalsContact OE1-N 3.11Å; Q79-T357 PolarHBondContact OE1-OG1 3.41Å; Q79-R376 HydrophobicContact CG-CB 4.49Å
80	Y	74	Confident	88.6	Confident	61 Å²	61	40.2 Å²	40.2	24%	0.239	21%	0.207	C	C	.	.			trans	-79	123.2	166	-170.3	-113.2	0	0	0	107.7	S105 V106 A107 T157 H356	Y80-S105 WeakPolarHBondContact CD2-OG 3.31Å; Y80-V106 WeakPolarHBondContact CE2-O 3.37Å; Y80-A107 HydrophobicContact CD1-CB 4.12Å; Y80-A107 HydrophobicContact CE1-CB 3.38Å; Y80-A107 HydrophobicContact CE2-CB 3.79Å; Y80-A107 VanDerWaalsContact CZ-CA 3.44Å; Y80-A107 WeakPolarHBondContact OH-CA 3.23Å; Y80-A107 VanDerWaalsContact OH-CB 3.24Å; Y80-A107 WeakPolarHBondContact OH-CB 3.4Å; Y80-T157 HydrophobicContact CD2-CG2 4.06Å; Y80-T157 HydrophobicContact CE2-CG2 3.38Å; Y80-T157 WeakPolarHBondContact CE2-OG1 3.25Å; Y80-T157 VanDerWaalsContact CZ-OG1 3.24Å; Y80-T157 PolarHBondContact OH-OG1 2.92Å; Y80-H356 WeakPolarHBondContact CB-CE1 3.3Å; Y80-H356 WeakPolarHBondContact CB-ND1 3.34Å; Y80-H356 PolarHBondContact N-ND1 2.89Å
81	A	69.4	Low	88.3	Confident	13 Å²	13	46.9 Å²	46.9	11%	0.107	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-147.2	146.4	178.5	0	0	0	0	0	109.3	F92 Y93	A81-F92 HydrophobicContact CB-CD1 3.73Å; A81-F92 HydrophobicContact CB-CE1 3.15Å; A81-F92 HydrophobicContact CB-CZ 4.05Å; A81-Y93 HydrophobicContact CB-CE1 4.45Å; A81-Y93 WeakPolarHBondContact O-CE1 3.07Å; A81-Y93 PolarHBondContact O-OH 3.39Å; A81-Y93 VanDerWaalsContact O-OH 3.09Å
82	G	65.9	Low	87.8	Confident	14 Å²	14	45 Å²	45	14%	0.144	22%	0.222	C	C	.	.			trans	-161.9	135.8	172.7	0	0	0	0	0	107.4
83	F	75.3	Confident	87.5	Confident	40 Å²	40	40.1 Å²	40.1	18%	0.175	19%	0.189	C	C	.	.			trans	-100.4	169	165.6	-69.7	-96.7	0	0	0	107.9	T85 E88 S89 F92 L475	F83-T85 PolarHBondContact O-N 3.09Å; F83-E88 HydrophobicContact CB-CB 3.65Å; F83-E88 HydrophobicContact CG-CB 4.05Å; F83-S89 PolarHBondContact N-OG 3.23Å; F83-S89 PolarHBondContact O-OG 3.04Å; F83-S89 VanDerWaalsContact O-OG 3.13Å; F83-F92 HydrophobicContact CD2-CB 3.79Å; F83-F92 HydrophobicContact CD2-CD1 4.45Å; F83-F92 HydrophobicContact CD2-CD2 4.44Å; F83-F92 HydrophobicContact CD2-CG 4.01Å; F83-F92 HydrophobicContact CE2-CB 3.44Å; F83-F92 VanDerWaalsContact CE2-CB 3.44Å; F83-F92 AromaticContact CE2-CD1 3.77Å; F83-F92 HydrophobicContact CE2-CD1 3.77Å; F83-F92 AromaticContact CE2-CD2 3.3Å; F83-F92 HydrophobicContact CE2-CD2 3.3Å; F83-F92 HydrophobicContact CE2-CE1 4.3Å; F83-F92 AromaticContact CE2-CE2 3.87Å; F83-F92 HydrophobicContact CE2-CE2 3.87Å; F83-F92 AromaticContact CE2-CG 3.22Å; F83-F92 HydrophobicContact CE2-CG 3.22Å; F83-F92 HydrophobicContact CE2-CZ 4.32Å; F83-F92 HydrophobicContact CZ-CB 4.38Å; F83-F92 AromaticContact CZ-CD2 3.65Å; F83-F92 HydrophobicContact CZ-CD2 3.65Å; F83-F92 HydrophobicContact CZ-CE2 4.01Å; F83-F92 HydrophobicContact CZ-CG 4.06Å; F83-L475 HydrophobicContact CD1-CD2 4.16Å; F83-L475 HydrophobicContact CE1-CD2 4.15Å
84	S	79.5	Confident	87.3	Confident	7 Å²	7	38.3 Å²	38.3	5%	0.049	18%	0.182	C	C	.	.	S	Bend	trans	-62.7	-26.7	-176.8	-53.8	0	0	0	0	113.8	G128 V477	S84-G128 VanDerWaalsContact CA-O 3.29Å; S84-G128 WeakPolarHBondContact CA-O 3.49Å; S84-G128 WeakPolarHBondContact CB-O 3.37Å; S84-G128 PolarHBondContact OG-O 3.17Å; S84-V477 WeakPolarHBondContact OG-CG1 3.38Å; S84-V477 WeakPolarHBondContact OG-CG2 3.37Å
85	T	87.4	Confident	87	Confident	30 Å²	30	39 Å²	39	18%	0.184	19%	0.191	C	C	.	.	S	Bend	trans	-113.7	152.8	178.7	68.4	0	0	0	0	112.6	F83 E87 E88 S89 V482	F83-T85 PolarHBondContact O-N 3.09Å; T85-E87 VanDerWaalsContact C-N 3.28Å; T85-E87 PolarHBondContact O-N 2.89Å; T85-E88 VanDerWaalsContact OG1-CB 3.29Å; T85-E88 WeakPolarHBondContact OG1-CB 3.29Å; T85-E88 VanDerWaalsContact OG1-CD 3.24Å; T85-E88 WeakPolarHBondContact OG1-CG 3.28Å; T85-E88 PolarHBondContact OG1-N 3.25Å; T85-E88 PolarHBondContact OG1-OE2 3.3Å; T85-S89 VanDerWaalsContact O-CB 3.3Å; T85-S89 WeakPolarHBondContact O-CB 3.31Å; T85-S89 PolarHBondContact O-N 3.34Å; T85-S89 PolarHBondContact O-OG 2.96Å; T85-V482 HydrophobicContact CG2-CG1 4.44Å; T85-V482 HydrophobicContact CG2-CG2 4Å
86	V	91.9	Very high	86.4	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-33.7	176.6	-67.1	0	0	0	0	111.7	N90 V132 D139 A142 L143	V86-N90 VanDerWaalsContact O-CB 3.29Å; V86-N90 WeakPolarHBondContact O-CB 3.32Å; V86-N90 PolarHBondContact O-N 3.45Å; V86-V132 HydrophobicContact CB-CG2 4.01Å; V86-V132 HydrophobicContact CG1-CG2 3.27Å; V86-D139 HydrophobicContact CG1-CB 4.11Å; V86-A142 HydrophobicContact CB-CB 4.35Å; V86-A142 HydrophobicContact CG2-CB 3.69Å; V86-L143 HydrophobicContact CB-CB 4.16Å; V86-L143 HydrophobicContact CB-CD1 4.24Å; V86-L143 HydrophobicContact CG1-CB 4.16Å; V86-L143 HydrophobicContact CG1-CD1 4.34Å
87	E	92.7	Very high	86.1	Confident	93 Å²	93	40.8 Å²	40.8	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-70.7	-43.2	-179.2	-62.7	78.7	-172.2	0	0	111.9	T85 N90 K91 K489	T85-E87 VanDerWaalsContact C-N 3.28Å; T85-E87 PolarHBondContact O-N 2.89Å; E87-N90 PolarHBondContact O-N 3.35Å; E87-K91 PolarHBondContact O-N 2.8Å; E87-K489 IonicContact OE1-NZ 3.47Å; E87-K489 PolarHBondContact OE1-NZ 2.86Å; E87-K489 IonicContact OE2-NZ 3.76Å
88	E	89.3	Confident	86	Confident	99 Å²	99	50 Å²	50	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-67.6	-43.2	174.9	-70.8	168	146.6	0	0	111.3	F83 T85 N90 K91 F92	F83-E88 HydrophobicContact CB-CB 3.65Å; F83-E88 HydrophobicContact CG-CB 4.05Å; T85-E88 VanDerWaalsContact OG1-CB 3.29Å; T85-E88 WeakPolarHBondContact OG1-CB 3.29Å; T85-E88 VanDerWaalsContact OG1-CD 3.24Å; T85-E88 WeakPolarHBondContact OG1-CG 3.28Å; T85-E88 PolarHBondContact OG1-N 3.25Å; T85-E88 PolarHBondContact OG1-OE2 3.3Å; E88-N90 VanDerWaalsContact C-N 3.35Å; E88-N90 PolarHBondContact O-N 2.91Å; E88-K91 PolarHBondContact O-N 2.91Å; E88-F92 WeakPolarHBondContact O-CB 3.34Å; E88-F92 PolarHBondContact O-N 2.87Å
89	S	90.4	Very high	85.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-46.3	174.7	-65.5	0	0	0	0	111.3	F83 T85 K91 F92 Y93	F83-S89 PolarHBondContact N-OG 3.23Å; F83-S89 PolarHBondContact O-OG 3.04Å; F83-S89 VanDerWaalsContact O-OG 3.13Å; T85-S89 VanDerWaalsContact O-CB 3.3Å; T85-S89 WeakPolarHBondContact O-CB 3.31Å; T85-S89 PolarHBondContact O-N 3.34Å; T85-S89 PolarHBondContact O-OG 2.96Å; S89-K91 PolarHBondContact O-N 3.27Å; S89-F92 PolarHBondContact O-N 3.28Å; S89-Y93 WeakPolarHBondContact O-CB 3.24Å; S89-Y93 WeakPolarHBondContact O-CD1 3.23Å; S89-Y93 VanDerWaalsContact O-CD2 3.26Å; S89-Y93 WeakPolarHBondContact O-CD2 3.17Å; S89-Y93 PolarHBondContact O-N 2.9Å
90	N	93.8	Very high	85.6	Confident	17 Å²	17	51.9 Å²	51.9	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-49.4	176.4	-179.6	-87.2	0	0	0	112	V86 E87 E88 F92 Y93 R94 L143 D145	V86-N90 VanDerWaalsContact O-CB 3.29Å; V86-N90 WeakPolarHBondContact O-CB 3.32Å; V86-N90 PolarHBondContact O-N 3.45Å; E87-N90 PolarHBondContact O-N 3.35Å; E88-N90 VanDerWaalsContact C-N 3.35Å; E88-N90 PolarHBondContact O-N 2.91Å; N90-F92 VanDerWaalsContact C-N 3.27Å; N90-F92 PolarHBondContact O-N 3.49Å; N90-Y93 PolarHBondContact O-N 2.67Å; N90-R94 WeakPolarHBondContact O-CG 3.26Å; N90-R94 PolarHBondContact O-N 3.08Å; N90-R94 WeakPolarHBondContact OD1-CD 3.35Å; N90-L143 WeakPolarHBondContact CB-O 3.48Å; N90-L143 PolarHBondContact ND2-O 3.12Å; N90-D145 PolarHBondContact ND2-N 3.45Å; N90-D145 PolarHBondContact ND2-O 3.03Å
91	K	92.8	Very high	86.1	Confident	162 Å²	162	49.4 Å²	49.4	70%	0.704	26%	0.258	S	S	*	.	H	α-helix	trans	-57.5	-43.8	178.2	-178.8	-179.5	175.2	-174.2	0	111	E87 E88 S89 R94 A95	E87-K91 PolarHBondContact O-N 2.8Å; E88-K91 PolarHBondContact O-N 2.91Å; S89-K91 PolarHBondContact O-N 3.27Å; K91-R94 PolarHBondContact O-N 3.45Å; K91-A95 PolarHBondContact O-N 3.46Å
92	F	88	Confident	86.7	Confident	26 Å²	26	52.8 Å²	52.8	11%	0.114	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-46.1	178	-177.6	-98.9	0	0	0	112.5	A81 F83 E88 S89 N90 R94 A95 N96 A372	A81-F92 HydrophobicContact CB-CD1 3.73Å; A81-F92 HydrophobicContact CB-CE1 3.15Å; A81-F92 HydrophobicContact CB-CZ 4.05Å; F83-F92 HydrophobicContact CD2-CB 3.79Å; F83-F92 HydrophobicContact CD2-CD1 4.45Å; F83-F92 HydrophobicContact CD2-CD2 4.44Å; F83-F92 HydrophobicContact CD2-CG 4.01Å; F83-F92 HydrophobicContact CE2-CB 3.44Å; F83-F92 VanDerWaalsContact CE2-CB 3.44Å; F83-F92 AromaticContact CE2-CD1 3.77Å; F83-F92 HydrophobicContact CE2-CD1 3.77Å; F83-F92 AromaticContact CE2-CD2 3.3Å; F83-F92 HydrophobicContact CE2-CD2 3.3Å; F83-F92 HydrophobicContact CE2-CE1 4.3Å; F83-F92 AromaticContact CE2-CE2 3.87Å; F83-F92 HydrophobicContact CE2-CE2 3.87Å; F83-F92 AromaticContact CE2-CG 3.22Å; F83-F92 HydrophobicContact CE2-CG 3.22Å; F83-F92 HydrophobicContact CE2-CZ 4.32Å; F83-F92 HydrophobicContact CZ-CB 4.38Å; F83-F92 AromaticContact CZ-CD2 3.65Å; F83-F92 HydrophobicContact CZ-CD2 3.65Å; F83-F92 HydrophobicContact CZ-CE2 4.01Å; F83-F92 HydrophobicContact CZ-CG 4.06Å; E88-F92 WeakPolarHBondContact O-CB 3.34Å; E88-F92 PolarHBondContact O-N 2.87Å; S89-F92 PolarHBondContact O-N 3.28Å; N90-F92 VanDerWaalsContact C-N 3.27Å; N90-F92 PolarHBondContact O-N 3.49Å; F92-R94 VanDerWaalsContact C-N 3.3Å; F92-R94 PolarHBondContact O-N 3.4Å; F92-A95 WeakPolarHBondContact O-CB 3.41Å; F92-A95 PolarHBondContact O-N 3.29Å; F92-A95 VanDerWaalsContact O-N 3.16Å; F92-N96 WeakPolarHBondContact CE1-ND2 3.25Å; F92-N96 WeakPolarHBondContact CZ-ND2 3.38Å; F92-N96 PolarHBondContact O-N 3.13Å; F92-A372 HydrophobicContact CZ-CB 4.28Å
93	Y	90	Very high	87.6	Confident	1 Å²	1	52.2 Å²	52.2	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-46	176.1	-64.9	-22.6	0	0	0	111.5	A81 S89 N90 A95 N96 I97 L104 V106 L143 I147	A81-Y93 HydrophobicContact CB-CE1 4.45Å; A81-Y93 WeakPolarHBondContact O-CE1 3.07Å; A81-Y93 PolarHBondContact O-OH 3.39Å; A81-Y93 VanDerWaalsContact O-OH 3.09Å; S89-Y93 WeakPolarHBondContact O-CB 3.24Å; S89-Y93 WeakPolarHBondContact O-CD1 3.23Å; S89-Y93 VanDerWaalsContact O-CD2 3.26Å; S89-Y93 WeakPolarHBondContact O-CD2 3.17Å; S89-Y93 PolarHBondContact O-N 2.9Å; N90-Y93 PolarHBondContact O-N 2.67Å; Y93-A95 PolarHBondContact O-N 3.46Å; Y93-N96 PolarHBondContact O-N 2.95Å; Y93-I97 WeakPolarHBondContact O-CB 3.4Å; Y93-I97 WeakPolarHBondContact O-CD1 3.28Å; Y93-I97 WeakPolarHBondContact O-CG1 3.42Å; Y93-I97 PolarHBondContact O-N 3.34Å; Y93-L104 HydrophobicContact CD1-CD2 4.06Å; Y93-L104 HydrophobicContact CG-CD2 3.87Å; Y93-V106 HydrophobicContact CE2-CG2 4.45Å; Y93-L143 HydrophobicContact CD2-CD1 4.42Å; Y93-L143 HydrophobicContact CE2-CD1 3.59Å; Y93-L143 HydrophobicContact CE2-CG 4.05Å; Y93-I147 HydrophobicContact CD2-CD1 4.17Å
94	R	92.1	Very high	88.2	Confident	121 Å²	121	50.3 Å²	50.3	46%	0.457	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-41.1	178.4	-67.4	173.8	69.4	137.5	1.1	112.1	N90 K91 F92 K98 D145 I147	N90-R94 WeakPolarHBondContact O-CG 3.26Å; N90-R94 PolarHBondContact O-N 3.08Å; N90-R94 WeakPolarHBondContact OD1-CD 3.35Å; K91-R94 PolarHBondContact O-N 3.45Å; F92-R94 VanDerWaalsContact C-N 3.3Å; F92-R94 PolarHBondContact O-N 3.4Å; R94-K98 PolarHBondContact O-N 2.88Å; R94-K98 VanDerWaalsContact O-N 3.13Å; R94-D145 PolarHBondContact NH1-O 2.99Å; R94-I147 HydrophobicContact CG-CD1 4.25Å; R94-I147 HydrophobicContact CG-CG1 4.04Å
95	A	90.4	Very high	88.7	Confident	56 Å²	56	50.3 Å²	50.3	46%	0.463	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.8	0	0	0	0	0	111.7	K91 F92 Y93 K98 A99	K91-A95 PolarHBondContact O-N 3.46Å; F92-A95 WeakPolarHBondContact O-CB 3.41Å; F92-A95 PolarHBondContact O-N 3.29Å; F92-A95 VanDerWaalsContact O-N 3.16Å; Y93-A95 PolarHBondContact O-N 3.46Å; A95-K98 WeakPolarHBondContact O-CB 3.29Å; A95-K98 PolarHBondContact O-N 2.89Å; A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 3.23Å
96	N	85.4	Confident	88.9	Confident	12 Å²	12	48.9 Å²	48.9	6%	0.064	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-39.6	179.7	-83.8	3	0	0	0	113.5	F92 Y93 K98 A99 G100 Q101 R376	F92-N96 WeakPolarHBondContact CE1-ND2 3.25Å; F92-N96 WeakPolarHBondContact CZ-ND2 3.38Å; F92-N96 PolarHBondContact O-N 3.13Å; Y93-N96 PolarHBondContact O-N 2.95Å; N96-K98 VanDerWaalsContact C-N 3.26Å; N96-K98 PolarHBondContact O-N 3.35Å; N96-A99 CarbonylContact O-C 3.53Å; N96-A99 WeakPolarHBondContact O-CA 3.42Å; N96-A99 PolarHBondContact O-N 3.01Å; N96-G100 PolarHBondContact O-N 3.36Å; N96-Q101 HydrophobicContact CB-CB 3.94Å; N96-Q101 PolarHBondContact ND2-OE1 3.46Å; N96-Q101 VanDerWaalsContact O-CB 3.25Å; N96-Q101 WeakPolarHBondContact O-CB 3.24Å; N96-Q101 PolarHBondContact O-N 3.04Å; N96-R376 PolarHBondContact OD1-NH1 2.76Å; N96-R376 VanDerWaalsContact OD1-NH1 3.17Å
97	I	86.4	Confident	88.8	Confident	57 Å²	57	49 Å²	49	29%	0.292	25%	0.25	S	C	.	.	H	α-helix	trans	-56.9	-45.7	172.9	-70.2	160	0	0	0	109.4	Y93 A99 G100 L104 I147 I152	Y93-I97 WeakPolarHBondContact O-CB 3.4Å; Y93-I97 WeakPolarHBondContact O-CD1 3.28Å; Y93-I97 WeakPolarHBondContact O-CG1 3.42Å; Y93-I97 PolarHBondContact O-N 3.34Å; I97-A99 PolarHBondContact O-N 3.18Å; I97-G100 PolarHBondContact O-N 3.08Å; I97-L104 HydrophobicContact CD1-CD1 4.24Å; I97-L104 HydrophobicContact CD1-CD2 3.9Å; I97-L104 HydrophobicContact CD1-CG 4.29Å; I97-L104 HydrophobicContact CG1-CD2 4.04Å; I97-I147 HydrophobicContact CD1-CG2 4.5Å; I97-I152 HydrophobicContact CD1-CD1 3.59Å; I97-I152 HydrophobicContact CG1-CD1 4.3Å
98	K	90.7	Very high	88.9	Confident	197 Å²	197	44.7 Å²	44.7	86%	0.857	23%	0.23	S	C	*	.	H	α-helix	trans	-62.2	-31.6	176.1	-171.9	-178.8	178.1	-175.2	0	112.4	R94 A95 N96 G100	R94-K98 PolarHBondContact O-N 2.88Å; R94-K98 VanDerWaalsContact O-N 3.13Å; A95-K98 WeakPolarHBondContact O-CB 3.29Å; A95-K98 PolarHBondContact O-N 2.89Å; N96-K98 VanDerWaalsContact C-N 3.26Å; N96-K98 PolarHBondContact O-N 3.35Å; K98-G100 VanDerWaalsContact C-N 3.31Å; K98-G100 PolarHBondContact O-N 3.01Å
99	A	88.8	Confident	89.1	Confident	42 Å²	42	40 Å²	40	35%	0.347	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	13.4	179.5	0	0	0	0	0	114.4	A95 N96 I97	A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 3.23Å; N96-A99 CarbonylContact O-C 3.53Å; N96-A99 WeakPolarHBondContact O-CA 3.42Å; N96-A99 PolarHBondContact O-N 3.01Å; I97-A99 PolarHBondContact O-N 3.18Å
100	G	84.1	Confident	89.4	Confident	41 Å²	41	40.7 Å²	40.7	42%	0.423	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	2.9	173.1	0	0	0	0	0	115.7	N96 I97 K98 Q102	N96-G100 PolarHBondContact O-N 3.36Å; I97-G100 PolarHBondContact O-N 3.08Å; K98-G100 VanDerWaalsContact C-N 3.31Å; K98-G100 PolarHBondContact O-N 3.01Å; G100-Q102 PolarHBondContact O-N 2.8Å
101	Q	83.1	Confident	89.6	Confident	9 Å²	9	39.9 Å²	39.9	4%	0.042	21%	0.207	C	C	.	.			trans	-64.3	128	170.9	-177.7	167.2	-21.5	0	0	110.1	Q79 N96 G103	Q79-Q101 PolarHBondContact O-NE2 3.5Å; N96-Q101 HydrophobicContact CB-CB 3.94Å; N96-Q101 PolarHBondContact ND2-OE1 3.46Å; N96-Q101 VanDerWaalsContact O-CB 3.25Å; N96-Q101 WeakPolarHBondContact O-CB 3.24Å; N96-Q101 PolarHBondContact O-N 3.04Å; Q101-G103 VanDerWaalsContact CG-O 3.28Å; Q101-G103 WeakPolarHBondContact CG-O 2.93Å; Q101-G103 PolarHBondContact NE2-O 2.98Å
102	Q	82.8	Confident	89.8	Confident	84 Å²	84	32.1 Å²	32.1	39%	0.393	17%	0.173	S	C	.	.			trans	-97.3	-19.5	-169.5	-65.6	179	-21.5	0	0	113.9	T76 G100	T76-Q102 HydrophobicContact CG2-CB 3.72Å; G100-Q102 PolarHBondContact O-N 2.8Å
103	G	85.1	Confident	90.3	Very high	2 Å²	2	31 Å²	31	2%	0.021	17%	0.168	C	C	.	.	S	Bend	trans	-147	148.9	177.5	0	0	0	0	0	110.9	Q101	Q101-G103 VanDerWaalsContact CG-O 3.28Å; Q101-G103 WeakPolarHBondContact CG-O 2.93Å; Q101-G103 PolarHBondContact NE2-O 2.98Å
104	L	88.4	Confident	90.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	150.6	177.5	-66.4	177.3	0	0	0	110.5	R78 Y93 I97 F144 I147 I152 S153 T154 S155	R78-L104 PolarHBondContact NH1-O 3.02Å; Y93-L104 HydrophobicContact CD1-CD2 4.06Å; Y93-L104 HydrophobicContact CG-CD2 3.87Å; I97-L104 HydrophobicContact CD1-CD1 4.24Å; I97-L104 HydrophobicContact CD1-CD2 3.9Å; I97-L104 HydrophobicContact CD1-CG 4.29Å; I97-L104 HydrophobicContact CG1-CD2 4.04Å; L104-F144 HydrophobicContact CD1-CE1 4.27Å; L104-I147 HydrophobicContact CD1-CD1 4.06Å; L104-I147 HydrophobicContact CD1-CG2 3.7Å; L104-I152 HydrophobicContact CB-CG2 4.37Å; L104-I152 HydrophobicContact CD1-CG2 3.8Å; L104-I152 HydrophobicContact CG-CG2 3.8Å; L104-S153 PolarHBondContact N-O 2.95Å; L104-S153 VanDerWaalsContact N-O 3.14Å; L104-T154 HydrophobicContact CB-CG2 4.49Å; L104-S155 WeakPolarHBondContact O-CB 3.17Å; L104-S155 PolarHBondContact O-N 3.32Å
105	S	89	Confident	91	Very high	7 Å²	7	25.5 Å²	25.5	5%	0.049	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	128.2	165.6	-159.2	0	0	0	0	109.2	Y80 S155	Y80-S105 WeakPolarHBondContact CD2-OG 3.31Å; S105-S155 CarbonylContact C-O 3.58Å; S105-S155 VanDerWaalsContact CA-O 3.26Å; S105-S155 WeakPolarHBondContact CA-O 3.45Å
106	V	92	Very high	91.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.7	-175.2	-178.6	0	0	0	0	110.1	Y80 Y93 F108 V132 L143 F144 T154 S155 M156 T157	Y80-V106 WeakPolarHBondContact CE2-O 3.37Å; Y93-V106 HydrophobicContact CE2-CG2 4.45Å; V106-F108 HydrophobicContact CB-CE2 4.16Å; V106-F108 HydrophobicContact CB-CZ 4.05Å; V106-F108 HydrophobicContact CG1-CD1 4.17Å; V106-F108 HydrophobicContact CG1-CD2 4.34Å; V106-F108 HydrophobicContact CG1-CE1 3.68Å; V106-F108 HydrophobicContact CG1-CE2 3.87Å; V106-F108 HydrophobicContact CG1-CG 4.48Å; V106-F108 HydrophobicContact CG1-CZ 3.52Å; V106-V132 HydrophobicContact CG1-CG1 3.98Å; V106-L143 HydrophobicContact CG1-CD2 3.8Å; V106-L143 HydrophobicContact CG2-CD2 4.2Å; V106-F144 HydrophobicContact CG2-CE1 4.16Å; V106-F144 HydrophobicContact CG2-CZ 3.76Å; V106-T154 HydrophobicContact CG2-CG2 4.24Å; V106-S155 PolarHBondContact N-O 3.21Å; V106-M156 HydrophobicContact CB-CG 4.39Å; V106-M156 HydrophobicContact CG2-CG 4.45Å; V106-T157 PolarHBondContact O-N 3.25Å; V106-T157 PolarHBondContact O-OG1 3.21Å
107	A	89.6	Confident	92.1	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.033	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-98.4	127.5	169.1	0	0	0	0	0	110.8	Y80 V132	Y80-A107 HydrophobicContact CD1-CB 4.12Å; Y80-A107 HydrophobicContact CE1-CB 3.38Å; Y80-A107 HydrophobicContact CE2-CB 3.79Å; Y80-A107 VanDerWaalsContact CZ-CA 3.44Å; Y80-A107 WeakPolarHBondContact OH-CA 3.23Å; Y80-A107 VanDerWaalsContact OH-CB 3.24Å; Y80-A107 WeakPolarHBondContact OH-CB 3.4Å; A107-V132 VanDerWaalsContact O-CG1 3.32Å; A107-V132 WeakPolarHBondContact O-CG1 3.45Å; A107-V132 PolarHBondContact O-N 2.87Å
108	F	94.1	Very high	92.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-103.8	152.5	179	-57.5	-85.1	0	0	0	110.8	V106 T112 H113 V132 V134 M140 M156 M158 V165	V106-F108 HydrophobicContact CB-CE2 4.16Å; V106-F108 HydrophobicContact CB-CZ 4.05Å; V106-F108 HydrophobicContact CG1-CD1 4.17Å; V106-F108 HydrophobicContact CG1-CD2 4.34Å; V106-F108 HydrophobicContact CG1-CE1 3.68Å; V106-F108 HydrophobicContact CG1-CE2 3.87Å; V106-F108 HydrophobicContact CG1-CG 4.48Å; V106-F108 HydrophobicContact CG1-CZ 3.52Å; F108-T112 HydrophobicContact CB-CG2 4.17Å; F108-T112 HydrophobicContact CD1-CG2 4.01Å; F108-T112 HydrophobicContact CG-CG2 4.33Å; F108-H113 PolarHBondContact O-CD2 3.04Å; F108-V132 WeakPolarHBondContact CA-O 3.12Å; F108-V132 HydrophobicContact CD1-CG1 4.1Å; F108-V134 HydrophobicContact CD1-CB 4.45Å; F108-V134 HydrophobicContact CD1-CG2 4.01Å; F108-V134 HydrophobicContact CE1-CG2 4.03Å; F108-M140 HydrophobicContact CE1-CE 4.1Å; F108-M140 HydrophobicContact CZ-CE 4.46Å; F108-M156 HydrophobicContact CE2-CB 3.98Å; F108-M156 HydrophobicContact CE2-CG 4.28Å; F108-M156 HydrophobicContact CZ-CB 4.28Å; F108-M156 HydrophobicContact CZ-CG 4.11Å; F108-M156 HydrophobicContact CZ-SD 4.27Å; F108-M158 HydrophobicContact CB-CE 3.53Å; F108-M158 HydrophobicContact CD1-CE 4.26Å; F108-M158 HydrophobicContact CD2-CB 4.26Å; F108-M158 HydrophobicContact CD2-CE 3.44Å; F108-M158 VanDerWaalsContact CD2-CE 3.44Å; F108-M158 HydrophobicContact CE2-CB 4.12Å; F108-M158 HydrophobicContact CE2-CE 4.2Å; F108-M158 HydrophobicContact CG-CE 3.48Å; F108-M158 VanDerWaalsContact CG-CE 3.48Å; F108-V165 HydrophobicContact CE1-CG1 3.87Å; F108-V165 HydrophobicContact CE2-CG1 4.1Å; F108-V165 HydrophobicContact CZ-CG1 3.54Å
109	D	94.5	Very high	93	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-68.7	167.3	171.8	74.3	1	0	0	0	112.6	A111 T112 H113 V127 G128 V132 A133	D109-A111 VanDerWaalsContact C-N 3.29Å; D109-A111 PolarHBondContact O-N 3.19Å; D109-A111 PolarHBondContact OD1-N 3.02Å; D109-T112 PolarHBondContact O-N 2.68Å; D109-T112 WeakPolarHBondContact OD1-CB 3.45Å; D109-T112 PolarHBondContact OD1-N 3.46Å; D109-T112 PolarHBondContact OD1-OG1 2.85Å; D109-H113 WeakPolarHBondContact O-CB 3.21Å; D109-H113 PolarHBondContact O-CD2 3.41Å; D109-H113 VanDerWaalsContact O-CD2 3.25Å; D109-H113 PolarHBondContact O-N 2.8Å; D109-V127 WeakPolarHBondContact OD2-CA 3.38Å; D109-G128 PolarHBondContact OD2-N 3.36Å; D109-V132 PolarHBondContact N-O 3.36Å; D109-A133 WeakPolarHBondContact OD2-CA 3.04Å; D109-A133 WeakPolarHBondContact OD2-CB 3.04Å
110	L	96.4	Very high	93.4	Very high	14 Å²	14	14.6 Å²	14.6	7%	0.073	8%	0.084	C	C	.	.	H	α-helix	trans	-71	-26	-176.3	-67.5	173.3	0	0	0	112.8	H113 R114 D126 A130 T200 Q595 A646	L110-H113 PolarHBondContact O-N 2.83Å; L110-R114 PolarHBondContact O-N 2.91Å; L110-R114 VanDerWaalsContact O-N 3.17Å; L110-D126 HydrophobicContact CB-CB 4.35Å; L110-A130 HydrophobicContact CG-CB 4.02Å; L110-T200 HydrophobicContact CD2-CG2 4.24Å; L110-Q595 HydrophobicContact CB-CB 3.65Å; L110-Q595 HydrophobicContact CD1-CB 4.4Å; L110-A646 HydrophobicContact CD1-CB 3.6Å
111	A	97.3	Very high	93.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.2	-55.3	172.6	0	0	0	0	0	110.8	D109 H113 R114 G115 Y116 V123	D109-A111 VanDerWaalsContact C-N 3.29Å; D109-A111 PolarHBondContact O-N 3.19Å; D109-A111 PolarHBondContact OD1-N 3.02Å; A111-H113 VanDerWaalsContact C-N 3.3Å; A111-H113 PolarHBondContact O-N 3.06Å; A111-R114 CarbonylContact O-C 3.39Å; A111-R114 PolarHBondContact O-N 2.88Å; A111-G115 PolarHBondContact O-N 3.46Å; A111-Y116 CarbonylContact C-O 3.59Å; A111-Y116 PolarHBondContact O-N 2.77Å; A111-V123 HydrophobicContact CB-CB 3.75Å; A111-V123 HydrophobicContact CB-CG1 4.08Å; A111-V123 HydrophobicContact CB-CG2 3.71Å
112	T	98.2	Very high	94.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-45.7	176.6	-53.3	0	0	0	0	110.2	F108 D109 R114 G115 V134 M158 A161 V165	F108-T112 HydrophobicContact CB-CG2 4.17Å; F108-T112 HydrophobicContact CD1-CG2 4.01Å; F108-T112 HydrophobicContact CG-CG2 4.33Å; D109-T112 PolarHBondContact O-N 2.68Å; D109-T112 WeakPolarHBondContact OD1-CB 3.45Å; D109-T112 PolarHBondContact OD1-N 3.46Å; D109-T112 PolarHBondContact OD1-OG1 2.85Å; T112-R114 VanDerWaalsContact C-N 3.25Å; T112-R114 PolarHBondContact O-N 3.49Å; T112-G115 PolarHBondContact O-N 3.49Å; T112-G115 VanDerWaalsContact O-N 3.1Å; T112-V134 HydrophobicContact CG2-CB 4.06Å; T112-V134 PolarHBondContact OG1-N 3.11Å; T112-V134 VanDerWaalsContact OG1-N 3.1Å; T112-V134 PolarHBondContact OG1-O 3.24Å; T112-M158 HydrophobicContact CG2-CE 3.95Å; T112-A161 WeakPolarHBondContact O-CB 3.4Å; T112-V165 HydrophobicContact CG2-CG2 3.86Å
113	H	98.3	Very high	95.2	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-53.7	-40.5	179.3	-96.3	-69.4	0	0	0	113.8	F108 D109 L110 A111 T157 M158 A161 R198 T200	F108-H113 PolarHBondContact O-CD2 3.04Å; D109-H113 WeakPolarHBondContact O-CB 3.21Å; D109-H113 PolarHBondContact O-CD2 3.41Å; D109-H113 VanDerWaalsContact O-CD2 3.25Å; D109-H113 PolarHBondContact O-N 2.8Å; L110-H113 PolarHBondContact O-N 2.83Å; A111-H113 VanDerWaalsContact C-N 3.3Å; A111-H113 PolarHBondContact O-N 3.06Å; H113-T157 PolarHBondContact CE1-O 2.71Å; H113-T157 PolarHBondContact NE2-O 3.43Å; H113-M158 HydrophobicContact CB-CE 4.37Å; H113-A161 PolarHBondContact O-N 3.24Å; H113-R198 PolarHBondContact CE1-NH1 3.04Å; H113-R198 PolarHBondContact CE1-NH2 2.78Å; H113-R198 VanDerWaalsContact CE1-NH2 3.3Å; H113-R198 PolarHBondContact ND1-NH1 3.35Å; H113-R198 PolarHBondContact NE2-NH2 3.21Å; H113-T200 HydrophobicContact CB-CG2 4.17Å
114	R	98.6	Very high	95.5	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.026	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	15.1	-177.5	-62	-157.1	67.5	-131.6	4	113.9	L110 A111 T112 Y116 Y201 I202 R546 F622	L110-R114 PolarHBondContact O-N 2.91Å; L110-R114 VanDerWaalsContact O-N 3.17Å; A111-R114 CarbonylContact O-C 3.39Å; A111-R114 PolarHBondContact O-N 2.88Å; T112-R114 VanDerWaalsContact C-N 3.25Å; T112-R114 PolarHBondContact O-N 3.49Å; R114-Y116 HydrophobicContact CB-CD2 3.92Å; R114-Y116 HydrophobicContact CB-CE2 4Å; R114-Y201 PolarHBondContact NE-O 2.77Å; R114-Y201 PolarHBondContact NH2-O 2.69Å; R114-I202 WeakPolarHBondContact O-CD1 3.35Å; R114-R546 PolarHBondContact O-NH1 3.01Å; R114-R546 PolarHBondContact O-NH2 3.33Å; R114-F622 VanDerWaalsContact CZ-CD2 3.41Å; R114-F622 VanDerWaalsContact NH1-CD1 3.32Å; R114-F622 VanDerWaalsContact NH1-CD2 3.28Å; R114-F622 VanDerWaalsContact NH2-CE2 3.28Å
115	G	98.6	Very high	95.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	38	171.5	0	0	0	0	0	112.5	A111 T112 S537	A111-G115 PolarHBondContact O-N 3.46Å; T112-G115 PolarHBondContact O-N 3.49Å; T112-G115 VanDerWaalsContact O-N 3.1Å; G115-S537 WeakPolarHBondContact CA-OG 3.38Å; G115-S537 WeakPolarHBondContact O-CB 3.39Å
116	Y	98.8	Very high	96	Very high	19 Å²	19	19.1 Å²	19.1	8%	0.075	10%	0.098	C	C	.	.			trans	-112.1	143.1	175.3	-67.6	-59.1	0	0	0	110.6	A111 R114 N120 V123 R546	A111-Y116 CarbonylContact C-O 3.59Å; A111-Y116 PolarHBondContact O-N 2.77Å; R114-Y116 HydrophobicContact CB-CD2 3.92Å; R114-Y116 HydrophobicContact CB-CE2 4Å; Y116-N120 HydrophobicContact CD1-CB 4.35Å; Y116-N120 VanDerWaalsContact CD1-ND2 3.35Å; Y116-N120 WeakPolarHBondContact CD1-ND2 3.23Å; Y116-V123 HydrophobicContact CD2-CG1 3.41Å; Y116-V123 VanDerWaalsContact CD2-CG1 3.41Å; Y116-V123 HydrophobicContact CE2-CG1 4.22Å; Y116-V123 HydrophobicContact CG-CG1 3.71Å; Y116-R546 VanDerWaalsContact CZ-CZ 3.41Å; Y116-R546 VanDerWaalsContact CZ-NH1 3.3Å; Y116-R546 VanDerWaalsContact OH-CZ 3.25Å; Y116-R546 PolarHBondContact OH-NE 2.94Å; Y116-R546 PolarHBondContact OH-NH1 3.46Å
117	D	98.7	Very high	96.1	Very high	8 Å²	8	19.1 Å²	19.1	4%	0.043	10%	0.098	C	C	.	.			trans	-76.4	153.6	164.5	-72.1	-16	0	0	0	110.5	D119 N120 D135 L490 R494 S532 V533 G534	D117-D119 VanDerWaalsContact CB-OD1 3.32Å; D117-D119 WeakPolarHBondContact CB-OD1 3.49Å; D117-D119 PolarHBondContact O-N 2.99Å; D117-D119 VanDerWaalsContact O-N 3.1Å; D117-N120 VanDerWaalsContact O-CB 3.24Å; D117-N120 WeakPolarHBondContact O-CB 3.27Å; D117-N120 PolarHBondContact O-N 2.79Å; D117-D135 WeakPolarHBondContact CA-OD1 3.35Å; D117-L490 HydrophobicContact CB-CD2 3.77Å; D117-R494 IonicContact OD2-CZ 3.3Å; D117-R494 IonicContact OD2-NH2 3.08Å; D117-R494 PolarHBondContact OD2-NH2 2.91Å; D117-S532 WeakPolarHBondContact OD1-CB 3.34Å; D117-S532 PolarHBondContact OD1-OG 3.18Å; D117-S532 VanDerWaalsContact OD1-OG 3.08Å; D117-S532 VanDerWaalsContact OD2-CB 3.23Å; D117-S532 WeakPolarHBondContact OD2-CB 3.28Å; D117-S532 PolarHBondContact OD2-OG 2.98Å; D117-V533 PolarHBondContact OD1-N 3.35Å; D117-G534 WeakPolarHBondContact OD1-CA 3.29Å; D117-G534 PolarHBondContact OD1-N 3.48Å
118	S	98.3	Very high	96.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.9	-179.5	-63.1	0	0	0	0	114.9	D135	S118-D135 WeakPolarHBondContact CB-OD1 3.29Å; S118-D135 PolarHBondContact N-OD1 3.14Å; S118-D135 VanDerWaalsContact OG-CG 3.28Å; S118-D135 PolarHBondContact OG-OD1 2.79Å; S118-D135 PolarHBondContact OG-OD2 3.47Å
119	D	97.9	Very high	95.9	Very high	63 Å²	63	19.8 Å²	19.8	34%	0.337	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.3	174.2	70.6	-17	0	0	0	113.7	D117 I487 L490 R494	D117-D119 VanDerWaalsContact CB-OD1 3.32Å; D117-D119 WeakPolarHBondContact CB-OD1 3.49Å; D117-D119 PolarHBondContact O-N 2.99Å; D117-D119 VanDerWaalsContact O-N 3.1Å; D119-I487 HydrophobicContact CB-CD1 4.39Å; D119-I487 HydrophobicContact CB-CG1 3.92Å; D119-L490 HydrophobicContact CB-CD2 4.22Å; D119-R494 IonicContact OD1-NH2 2.68Å; D119-R494 IonicContact OD2-CZ 2.67Å; D119-R494 IonicContact OD2-NH1 3.55Å; D119-R494 PolarHBondContact OD2-NH1 3.3Å; D119-R494 IonicContact OD2-NH2 3.12Å
120	N	97.9	Very high	95.4	Very high	43 Å²	43	21.7 Å²	21.7	23%	0.23	12%	0.117	C	C	.	.			trans	-71.4	128	178.4	-168.5	-56.5	0	0	0	111.1	Y116 D117 R122 V123	Y116-N120 HydrophobicContact CD1-CB 4.35Å; Y116-N120 VanDerWaalsContact CD1-ND2 3.35Å; Y116-N120 WeakPolarHBondContact CD1-ND2 3.23Å; D117-N120 VanDerWaalsContact O-CB 3.24Å; D117-N120 WeakPolarHBondContact O-CB 3.27Å; D117-N120 PolarHBondContact O-N 2.79Å; N120-R122 PolarHBondContact O-N 3.26Å; N120-R122 VanDerWaalsContact O-N 3.1Å; N120-R122 WeakPolarHBondContact OD1-CB 3.39Å; N120-R122 PolarHBondContact OD1-N 3.28Å; N120-V123 HydrophobicContact CB-CG2 4.06Å; N120-V123 WeakPolarHBondContact O-CG2 3.32Å; N120-V123 PolarHBondContact O-N 3.43Å; N120-V123 VanDerWaalsContact O-N 3.14Å
121	P	95.1	Very high	95.1	Very high	104 Å²	104	21.1 Å²	21.1	68%	0.675	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-57.8	-27.9	-179.1	-26.3	34.5	0	0	0	114.9	V123 H124	P121-V123 VanDerWaalsContact C-N 3.27Å; P121-V123 PolarHBondContact O-N 2.89Å; P121-H124 PolarHBondContact O-ND1 2.82Å; P121-H124 VanDerWaalsContact O-ND1 3.08Å
122	R	96.1	Very high	94.8	Very high	98 Å²	98	21.1 Å²	21.1	37%	0.37	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-75.1	-10.8	-178.4	-74	-170.5	174	-83.9	-4.3	114.4	N120 Q595 T624 E627	N120-R122 PolarHBondContact O-N 3.26Å; N120-R122 VanDerWaalsContact O-N 3.1Å; N120-R122 WeakPolarHBondContact OD1-CB 3.39Å; N120-R122 PolarHBondContact OD1-N 3.28Å; R122-Q595 PolarHBondContact O-NE2 2.91Å; R122-T624 HydrophobicContact CG-CG2 4.45Å; R122-E627 IonicContact CZ-OE1 3.52Å; R122-E627 IonicContact NH1-OE1 3.4Å; R122-E627 PolarHBondContact NH1-OE1 3.32Å; R122-E627 IonicContact NH1-OE2 3.91Å; R122-E627 PolarHBondContact NH1-OE2 3.49Å; R122-E627 VanDerWaalsContact NH1-OE2 3.09Å; R122-E627 IonicContact NH2-OE1 3.62Å; R122-E627 PolarHBondContact NH2-OE1 3.44Å
123	V	96.2	Very high	94.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-121.1	10.6	-176.1	-51.4	0	0	0	0	113.2	A111 Y116 N120 P121 G125 D126 V127 Q595	A111-V123 HydrophobicContact CB-CB 3.75Å; A111-V123 HydrophobicContact CB-CG1 4.08Å; A111-V123 HydrophobicContact CB-CG2 3.71Å; Y116-V123 HydrophobicContact CD2-CG1 3.41Å; Y116-V123 VanDerWaalsContact CD2-CG1 3.41Å; Y116-V123 HydrophobicContact CE2-CG1 4.22Å; Y116-V123 HydrophobicContact CG-CG1 3.71Å; N120-V123 HydrophobicContact CB-CG2 4.06Å; N120-V123 WeakPolarHBondContact O-CG2 3.32Å; N120-V123 PolarHBondContact O-N 3.43Å; N120-V123 VanDerWaalsContact O-N 3.14Å; P121-V123 VanDerWaalsContact C-N 3.27Å; P121-V123 PolarHBondContact O-N 2.89Å; V123-G125 PolarHBondContact O-N 2.69Å; V123-D126 HydrophobicContact CB-CB 4.39Å; V123-D126 PolarHBondContact O-N 3.15Å; V123-V127 HydrophobicContact CG2-CG2 4.1Å; V123-V127 WeakPolarHBondContact O-CG2 3.23Å; V123-V127 PolarHBondContact O-N 2.68Å; V123-Q595 HydrophobicContact CB-CG 4.34Å; V123-Q595 HydrophobicContact CG1-CG 3.66Å
124	H	92.1	Very high	94.6	Very high	32 Å²	32	21.1 Å²	21.1	15%	0.148	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.2	-170.5	80.8	-94.1	0	0	0	113.9	P121 N479 R483 T651 E655	P121-H124 PolarHBondContact O-ND1 2.82Å; P121-H124 VanDerWaalsContact O-ND1 3.08Å; H124-N479 PolarHBondContact O-ND2 3.35Å; H124-R483 PolarHBondContact O-NH1 3.38Å; H124-T651 WeakPolarHBondContact NE2-CG2 3.32Å; H124-E655 IonicContact CE1-OE1 3.47Å; H124-E655 IonicContact CE1-OE2 3.93Å; H124-E655 PolarHBondContact CE1-OE2 2.79Å; H124-E655 IonicContact NE2-OE1 2.87Å; H124-E655 PolarHBondContact NE2-OE1 3.48Å; H124-E655 IonicContact NE2-OE2 3.84Å
125	G	92	Very high	94.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-6.7	174.7	0	0	0	0	0	114.4	V123 M129	V123-G125 PolarHBondContact O-N 2.69Å; G125-M129 WeakPolarHBondContact O-CG 3.5Å
126	D	94.4	Very high	94.6	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-17.5	-171.9	-56.9	-79.7	0	0	0	113.3	L110 V123 G128 M129 Q595	L110-D126 HydrophobicContact CB-CB 4.35Å; V123-D126 HydrophobicContact CB-CB 4.39Å; V123-D126 PolarHBondContact O-N 3.15Å; D126-G128 PolarHBondContact O-N 3.29Å; D126-M129 PolarHBondContact O-N 3.09Å; D126-Q595 HydrophobicContact CB-CB 4.34Å; D126-Q595 HydrophobicContact CB-CG 4.32Å; D126-Q595 PolarHBondContact OD1-N 3.15Å; D126-Q595 WeakPolarHBondContact OD2-CG 3.43Å; D126-Q595 PolarHBondContact OD2-N 2.93Å; D126-Q595 VanDerWaalsContact OD2-N 3.16Å
127	V	94.6	Very high	94.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	120.2	-177.1	-177.6	0	0	0	0	111.2	D109 V123 M129 A133 V482 R483	D109-V127 WeakPolarHBondContact OD2-CA 3.38Å; V123-V127 HydrophobicContact CG2-CG2 4.1Å; V123-V127 WeakPolarHBondContact O-CG2 3.23Å; V123-V127 PolarHBondContact O-N 2.68Å; V127-M129 PolarHBondContact O-N 3.17Å; V127-A133 HydrophobicContact CG1-CB 4.04Å; V127-V482 HydrophobicContact CG1-CG1 4.33Å; V127-R483 HydrophobicContact CB-CB 4.24Å; V127-R483 HydrophobicContact CB-CG 4.29Å; V127-R483 HydrophobicContact CG1-CB 4.27Å; V127-R483 HydrophobicContact CG1-CG 4.46Å; V127-R483 HydrophobicContact CG2-CG 4.1Å
128	G	91.5	Very high	94.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	7.1	177.3	0	0	0	0	0	116	S84 D109 D126 G131	S84-G128 VanDerWaalsContact CA-O 3.29Å; S84-G128 WeakPolarHBondContact CA-O 3.49Å; S84-G128 WeakPolarHBondContact CB-O 3.37Å; S84-G128 PolarHBondContact OG-O 3.17Å; D109-G128 PolarHBondContact OD2-N 3.36Å; D126-G128 PolarHBondContact O-N 3.29Å; G128-G131 CarbonylContact C-O 3.38Å; G128-G131 WeakPolarHBondContact CA-O 3.42Å
129	M	88.5	Confident	94.6	Very high	20 Å²	20	22.6 Å²	22.6	10%	0.099	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-50.7	-173.1	-64.3	-54.5	-66.6	0	0	113.2	G125 D126 V127 V477 N479 A647	G125-M129 WeakPolarHBondContact O-CG 3.5Å; D126-M129 PolarHBondContact O-N 3.09Å; V127-M129 PolarHBondContact O-N 3.17Å; M129-V477 HydrophobicContact CE-CB 4.24Å; M129-V477 HydrophobicContact SD-CB 4.07Å; M129-V477 HydrophobicContact SD-CG1 3.76Å; M129-N479 HydrophobicContact CG-CB 4.28Å; M129-N479 HydrophobicContact SD-CB 3.35Å; M129-N479 WeakPolarHBondContact SD-CB 3.5Å; M129-A647 HydrophobicContact CE-CB 3.39Å; M129-A647 WeakPolarHBondContact CE-O 3.48Å
130	A	84.5	Confident	94.6	Very high	41 Å²	41	19.6 Å²	19.6	34%	0.339	11%	0.106	S	C	.	.	S	Bend	trans	-90.8	-5.5	-176.4	0	0	0	0	0	113.8	L110	L110-A130 HydrophobicContact CG-CB 4.02Å
131	G	89.1	Confident	94.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.108	C	C	.	.	S	Bend	trans	167.7	-163.7	-173.8	0	0	0	0	0	110.9	G128	G128-G131 CarbonylContact C-O 3.38Å; G128-G131 WeakPolarHBondContact CA-O 3.42Å
132	V	92	Very high	94.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-77.4	133.8	-176.9	75.8	0	0	0	0	111.5	V86 V106 A107 F108 D109 V134 L143	V86-V132 HydrophobicContact CB-CG2 4.01Å; V86-V132 HydrophobicContact CG1-CG2 3.27Å; V106-V132 HydrophobicContact CG1-CG1 3.98Å; A107-V132 VanDerWaalsContact O-CG1 3.32Å; A107-V132 WeakPolarHBondContact O-CG1 3.45Å; A107-V132 PolarHBondContact O-N 2.87Å; F108-V132 WeakPolarHBondContact CA-O 3.12Å; F108-V132 HydrophobicContact CD1-CG1 4.1Å; D109-V132 PolarHBondContact N-O 3.36Å; V132-V134 HydrophobicContact CG1-CG2 4.06Å; V132-L143 HydrophobicContact CG1-CD1 4.48Å; V132-L143 HydrophobicContact CG1-CD2 4.3Å; V132-L143 HydrophobicContact CG2-CD1 4.34Å
133	A	95.3	Very high	94.7	Very high	2 Å²	2	12.3 Å²	12.3	2%	0.017	7%	0.07	C	C	.	.			trans	-76	126.1	170.7	0	0	0	0	0	110.3	D109 V127 Q486	D109-A133 WeakPolarHBondContact OD2-CA 3.04Å; D109-A133 WeakPolarHBondContact OD2-CB 3.04Å; V127-A133 HydrophobicContact CG1-CB 4.04Å; A133-Q486 HydrophobicContact CB-CG 3.84Å
134	V	97.3	Very high	94.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.			trans	-130.2	109	175.1	173.8	0	0	0	0	108.5	F108 T112 V132 D139 M140 M168 V533	F108-V134 HydrophobicContact CD1-CB 4.45Å; F108-V134 HydrophobicContact CD1-CG2 4.01Å; F108-V134 HydrophobicContact CE1-CG2 4.03Å; T112-V134 HydrophobicContact CG2-CB 4.06Å; T112-V134 PolarHBondContact OG1-N 3.11Å; T112-V134 VanDerWaalsContact OG1-N 3.1Å; T112-V134 PolarHBondContact OG1-O 3.24Å; V132-V134 HydrophobicContact CG1-CG2 4.06Å; V134-D139 HydrophobicContact CB-CB 4.45Å; V134-D139 HydrophobicContact CG1-CB 4.26Å; V134-D139 HydrophobicContact CG2-CB 4.37Å; V134-M140 HydrophobicContact CG1-CE 4.02Å; V134-M140 HydrophobicContact CG2-CE 4.5Å; V134-M168 HydrophobicContact CG1-SD 3.99Å; V134-V533 HydrophobicContact CG1-CG2 4.48Å; V134-V533 WeakPolarHBondContact O-CG2 3.32Å
135	D	98.6	Very high	95	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.09	C	C	.	.			trans	-100.8	-24.7	175.4	-52.3	-61.6	0	0	0	111.2	D117 S118 D139 Q486 L490 S532 V533	D117-D135 WeakPolarHBondContact CA-OD1 3.35Å; S118-D135 WeakPolarHBondContact CB-OD1 3.29Å; S118-D135 PolarHBondContact N-OD1 3.14Å; S118-D135 VanDerWaalsContact OG-CG 3.28Å; S118-D135 PolarHBondContact OG-OD1 2.79Å; S118-D135 PolarHBondContact OG-OD2 3.47Å; D135-D139 PolarHBondContact N-OD2 3.33Å; D135-Q486 PolarHBondContact OD2-NE2 2.92Å; D135-L490 HydrophobicContact CB-CD1 4.07Å; D135-S532 CarbonylContact O-C 3.51Å; D135-S532 WeakPolarHBondContact O-CA 3.45Å; D135-S532 VanDerWaalsContact O-CB 3.24Å; D135-S532 WeakPolarHBondContact O-CB 3.48Å; D135-V533 PolarHBondContact O-N 3.46Å
136	S	98.6	Very high	95.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	12%	0.115	C	C	.	.	S	Bend	trans	-148.6	171.8	-170.5	74	0	0	0	0	113.7	E138 D139 M140 I493	S136-E138 PolarHBondContact O-N 3.2Å; S136-E138 PolarHBondContact OG-N 2.95Å; S136-D139 PolarHBondContact N-OD2 3.25Å; S136-D139 PolarHBondContact O-N 3.37Å; S136-D139 PolarHBondContact OG-OD2 3.32Å; S136-M140 PolarHBondContact O-N 3.29Å; S136-I493 WeakPolarHBondContact OG-CD1 3.3Å
137	V	98.6	Very high	95.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-25.8	170.9	70.2	0	0	0	0	112.8	D139 M140 K141 M168 V171 R530	V137-D139 VanDerWaalsContact C-N 3.35Å; V137-M140 PolarHBondContact O-N 3.06Å; V137-K141 HydrophobicContact CG2-CD 4.29Å; V137-K141 HydrophobicContact CG2-CG 4.45Å; V137-K141 WeakPolarHBondContact O-CB 3.32Å; V137-K141 WeakPolarHBondContact O-CD 3.38Å; V137-K141 VanDerWaalsContact O-CG 3.22Å; V137-K141 WeakPolarHBondContact O-CG 3.44Å; V137-K141 PolarHBondContact O-N 2.92Å; V137-M168 HydrophobicContact CB-CG 4.24Å; V137-V171 HydrophobicContact CG2-CB 3.81Å; V137-V171 HydrophobicContact CG2-CG1 3.67Å; V137-R530 HydrophobicContact CG1-CG 4.11Å
138	E	98.4	Very high	95.1	Very high	62 Å²	62	21 Å²	21	29%	0.29	13%	0.132	S	C	.	.	H	α-helix	trans	-69.5	-34.7	178.5	-58.1	-54.2	145.1	0	0	111.7	S136 K141 A142 I493 R530	S136-E138 PolarHBondContact O-N 3.2Å; S136-E138 PolarHBondContact OG-N 2.95Å; E138-K141 PolarHBondContact O-N 3.29Å; E138-K141 IonicContact OE1-NZ 2.81Å; E138-K141 PolarHBondContact OE1-NZ 3.22Å; E138-K141 WeakPolarHBondContact OE2-CE 3.2Å; E138-K141 IonicContact OE2-NZ 3.19Å; E138-K141 PolarHBondContact OE2-NZ 2.96Å; E138-A142 PolarHBondContact O-N 3.41Å; E138-I493 HydrophobicContact CB-CD1 3.95Å; E138-I493 HydrophobicContact CG-CD1 3.85Å; E138-I493 HydrophobicContact CG-CG1 4.19Å; E138-R530 IonicContact OE1-CZ 2.8Å; E138-R530 VanDerWaalsContact OE1-CZ 3.23Å; E138-R530 IonicContact OE1-NE 3.38Å; E138-R530 PolarHBondContact OE1-NE 3.45Å; E138-R530 IonicContact OE1-NH2 2.75Å; E138-R530 PolarHBondContact OE1-NH2 3.09Å
139	D	98.1	Very high	95.3	Very high	3 Å²	3	21 Å²	21	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-43.6	173	-55.8	-64.7	0	0	0	110.5	V86 V134 D135 S136 V137 K141 A142 L143 Q486 K489	V86-D139 HydrophobicContact CG1-CB 4.11Å; V134-D139 HydrophobicContact CB-CB 4.45Å; V134-D139 HydrophobicContact CG1-CB 4.26Å; V134-D139 HydrophobicContact CG2-CB 4.37Å; D135-D139 PolarHBondContact N-OD2 3.33Å; S136-D139 PolarHBondContact N-OD2 3.25Å; S136-D139 PolarHBondContact O-N 3.37Å; S136-D139 PolarHBondContact OG-OD2 3.32Å; V137-D139 VanDerWaalsContact C-N 3.35Å; D139-K141 VanDerWaalsContact C-N 3.31Å; D139-K141 PolarHBondContact O-N 3.22Å; D139-A142 PolarHBondContact O-N 3.06Å; D139-L143 WeakPolarHBondContact O-CB 3.37Å; D139-L143 PolarHBondContact O-N 3.26Å; D139-Q486 PolarHBondContact OD1-NE2 3.47Å; D139-K489 IonicContact OD1-NZ 2.81Å
140	M	97.8	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-36.2	176.6	-164.8	65.1	71.4	0	0	112.5	F108 V134 S136 V137 L143 F144 V165 M168 A172	F108-M140 HydrophobicContact CE1-CE 4.1Å; F108-M140 HydrophobicContact CZ-CE 4.46Å; V134-M140 HydrophobicContact CG1-CE 4.02Å; V134-M140 HydrophobicContact CG2-CE 4.5Å; S136-M140 PolarHBondContact O-N 3.29Å; V137-M140 PolarHBondContact O-N 3.06Å; M140-L143 HydrophobicContact SD-CD2 4.1Å; M140-F144 HydrophobicContact CG-CD2 4.18Å; M140-F144 HydrophobicContact CG-CE2 4.15Å; M140-F144 WeakPolarHBondContact O-CD2 3.47Å; M140-F144 PolarHBondContact O-N 2.99Å; M140-F144 HydrophobicContact SD-CD2 4Å; M140-F144 HydrophobicContact SD-CE2 3.44Å; M140-F144 WeakPolarHBondContact SD-CE2 3.32Å; M140-F144 HydrophobicContact SD-CZ 4.42Å; M140-V165 HydrophobicContact CE-CG1 4.11Å; M140-M168 HydrophobicContact CB-CB 4.15Å; M140-M168 HydrophobicContact CE-CB 4.24Å; M140-M168 HydrophobicContact CG-CB 4.32Å; M140-A172 HydrophobicContact CB-CB 4.16Å; M140-A172 HydrophobicContact CG-CB 3.81Å
141	K	98.2	Very high	95.9	Very high	61 Å²	61	31.2 Å²	31.2	27%	0.265	17%	0.169	S	C	.	.	H	α-helix	trans	-65.8	-46.1	173.7	-73.9	163.4	62.9	178.8	0	111.7	V137 E138 D139 L143 F144 D145 A172 E175	V137-K141 HydrophobicContact CG2-CD 4.29Å; V137-K141 HydrophobicContact CG2-CG 4.45Å; V137-K141 WeakPolarHBondContact O-CB 3.32Å; V137-K141 WeakPolarHBondContact O-CD 3.38Å; V137-K141 VanDerWaalsContact O-CG 3.22Å; V137-K141 WeakPolarHBondContact O-CG 3.44Å; V137-K141 PolarHBondContact O-N 2.92Å; E138-K141 PolarHBondContact O-N 3.29Å; E138-K141 IonicContact OE1-NZ 2.81Å; E138-K141 PolarHBondContact OE1-NZ 3.22Å; E138-K141 WeakPolarHBondContact OE2-CE 3.2Å; E138-K141 IonicContact OE2-NZ 3.19Å; E138-K141 PolarHBondContact OE2-NZ 2.96Å; D139-K141 VanDerWaalsContact C-N 3.31Å; D139-K141 PolarHBondContact O-N 3.22Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-L143 PolarHBondContact O-N 3.09Å; K141-F144 CarbonylContact O-C 3.56Å; K141-F144 PolarHBondContact O-N 3.01Å; K141-D145 PolarHBondContact O-N 3.35Å; K141-A172 HydrophobicContact CG-CB 3.89Å; K141-E175 WeakPolarHBondContact CD-OE2 3.49Å; K141-E175 WeakPolarHBondContact CE-OE2 3.47Å; K141-E175 IonicContact NZ-OE2 3.27Å; K141-E175 PolarHBondContact NZ-OE2 2.97Å
142	A	97.1	Very high	96	Very high	31 Å²	31	32.4 Å²	32.4	26%	0.256	18%	0.175	S	C	.	.	H	α-helix	trans	-62.1	-41.8	176.8	0	0	0	0	0	111.6	V86 E138 D139 F144 D145	V86-A142 HydrophobicContact CB-CB 4.35Å; V86-A142 HydrophobicContact CG2-CB 3.69Å; E138-A142 PolarHBondContact O-N 3.41Å; D139-A142 PolarHBondContact O-N 3.06Å; A142-F144 PolarHBondContact O-N 3.27Å; A142-D145 PolarHBondContact O-N 2.89Å
143	L	96.1	Very high	96.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.8	-37.4	177.4	-173.4	63.7	0	0	0	112.5	V86 N90 Y93 V106 V132 D139 M140 K141	V86-L143 HydrophobicContact CB-CB 4.16Å; V86-L143 HydrophobicContact CB-CD1 4.24Å; V86-L143 HydrophobicContact CG1-CB 4.16Å; V86-L143 HydrophobicContact CG1-CD1 4.34Å; N90-L143 WeakPolarHBondContact CB-O 3.48Å; N90-L143 PolarHBondContact ND2-O 3.12Å; Y93-L143 HydrophobicContact CD2-CD1 4.42Å; Y93-L143 HydrophobicContact CE2-CD1 3.59Å; Y93-L143 HydrophobicContact CE2-CG 4.05Å; V106-L143 HydrophobicContact CG1-CD2 3.8Å; V106-L143 HydrophobicContact CG2-CD2 4.2Å; V132-L143 HydrophobicContact CG1-CD1 4.48Å; V132-L143 HydrophobicContact CG1-CD2 4.3Å; V132-L143 HydrophobicContact CG2-CD1 4.34Å; D139-L143 WeakPolarHBondContact O-CB 3.37Å; D139-L143 PolarHBondContact O-N 3.26Å; M140-L143 HydrophobicContact SD-CD2 4.1Å; K141-L143 VanDerWaalsContact C-N 3.33Å; K141-L143 PolarHBondContact O-N 3.09Å
144	F	96.5	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	16.2	-178.4	-62.5	-57.9	0	0	0	114.5	L104 V106 M140 K141 A142 G146 I147 L149 T154 F169 Q176	L104-F144 HydrophobicContact CD1-CE1 4.27Å; V106-F144 HydrophobicContact CG2-CE1 4.16Å; V106-F144 HydrophobicContact CG2-CZ 3.76Å; M140-F144 HydrophobicContact CG-CD2 4.18Å; M140-F144 HydrophobicContact CG-CE2 4.15Å; M140-F144 WeakPolarHBondContact O-CD2 3.47Å; M140-F144 PolarHBondContact O-N 2.99Å; M140-F144 HydrophobicContact SD-CD2 4Å; M140-F144 HydrophobicContact SD-CE2 3.44Å; M140-F144 WeakPolarHBondContact SD-CE2 3.32Å; M140-F144 HydrophobicContact SD-CZ 4.42Å; K141-F144 CarbonylContact O-C 3.56Å; K141-F144 PolarHBondContact O-N 3.01Å; A142-F144 PolarHBondContact O-N 3.27Å; F144-G146 PolarHBondContact O-N 3.33Å; F144-I147 HydrophobicContact CB-CB 4.49Å; F144-I147 HydrophobicContact CD1-CD1 4.37Å; F144-I147 HydrophobicContact CD1-CG2 4.47Å; F144-I147 WeakPolarHBondContact O-CB 3.24Å; F144-I147 PolarHBondContact O-N 2.94Å; F144-L149 HydrophobicContact CB-CD1 4.02Å; F144-L149 HydrophobicContact CB-CD2 4.25Å; F144-L149 HydrophobicContact CB-CG 4.19Å; F144-L149 HydrophobicContact CD1-CD2 3.84Å; F144-L149 HydrophobicContact CD2-CD1 3.94Å; F144-L149 HydrophobicContact CD2-CD2 4.17Å; F144-L149 HydrophobicContact CE1-CD2 4.2Å; F144-L149 HydrophobicContact CE2-CD2 4.47Å; F144-L149 HydrophobicContact CG-CD1 4.05Å; F144-L149 HydrophobicContact CG-CD2 3.83Å; F144-L149 HydrophobicContact CG-CG 4.24Å; F144-T154 HydrophobicContact CE1-CG2 3.91Å; F144-T154 HydrophobicContact CZ-CG2 3.61Å; F144-F169 HydrophobicContact CD2-CD2 4.5Å; F144-F169 AromaticContact CE2-CD2 3.8Å; F144-F169 HydrophobicContact CE2-CD2 3.8Å; F144-F169 HydrophobicContact CE2-CE2 4.15Å; F144-F169 HydrophobicContact CZ-CD2 4.38Å; F144-F169 HydrophobicContact CZ-CE2 4.43Å; F144-Q176 PolarHBondContact O-NE2 3.4Å
145	D	96.8	Very high	95.8	Very high	107 Å²	107	34.7 Å²	34.7	57%	0.572	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	128.8	178.7	-177	43.4	0	0	0	111.8	N90 R94 K141 A142 I147	N90-D145 PolarHBondContact ND2-N 3.45Å; N90-D145 PolarHBondContact ND2-O 3.03Å; R94-D145 PolarHBondContact NH1-O 2.99Å; K141-D145 PolarHBondContact O-N 3.35Å; A142-D145 PolarHBondContact O-N 2.89Å; D145-I147 PolarHBondContact O-N 3.44Å; D145-I147 VanDerWaalsContact O-N 3.17Å
146	G	95.1	Very high	95.7	Very high	51 Å²	51	34.6 Å²	34.6	53%	0.526	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	9.6	-173.1	0	0	0	0	0	116.2	F144	F144-G146 PolarHBondContact O-N 3.33Å
147	I	94.4	Very high	95.4	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.015	19%	0.194	C	C	.	.			trans	-102	112.2	173.3	-60.4	-179.9	0	0	0	108.3	Y93 R94 I97 L104 F144 D145 L149 I152 Q176	Y93-I147 HydrophobicContact CD2-CD1 4.17Å; R94-I147 HydrophobicContact CG-CD1 4.25Å; R94-I147 HydrophobicContact CG-CG1 4.04Å; I97-I147 HydrophobicContact CD1-CG2 4.5Å; L104-I147 HydrophobicContact CD1-CD1 4.06Å; L104-I147 HydrophobicContact CD1-CG2 3.7Å; F144-I147 HydrophobicContact CB-CB 4.49Å; F144-I147 HydrophobicContact CD1-CD1 4.37Å; F144-I147 HydrophobicContact CD1-CG2 4.47Å; F144-I147 WeakPolarHBondContact O-CB 3.24Å; F144-I147 PolarHBondContact O-N 2.94Å; D145-I147 PolarHBondContact O-N 3.44Å; D145-I147 VanDerWaalsContact O-N 3.17Å; I147-L149 PolarHBondContact O-N 3.4Å; I147-I152 HydrophobicContact CG2-CD1 3.9Å; I147-Q176 PolarHBondContact O-NE2 3.34Å; I147-Q176 PolarHBondContact O-OE1 3.12Å; I147-Q176 VanDerWaalsContact O-OE1 3.11Å
148	P	94.5	Very high	95.4	Very high	56 Å²	56	35.2 Å²	35.2	36%	0.364	19%	0.194	S	C	.	.			trans	-75.1	94.5	-173.8	29.9	-35	0	0	0	111.8	K150 K151 I152	P148-K150 PolarHBondContact O-N 3.48Å; P148-K150 VanDerWaalsContact O-N 3.09Å; P148-K151 HydrophobicContact CB-CB 4.42Å; P148-K151 HydrophobicContact CB-CD 4.5Å; P148-K151 HydrophobicContact CG-CB 4.29Å; P148-K151 HydrophobicContact CG-CD 4.48Å; P148-K151 PolarHBondContact O-N 2.98Å; P148-I152 PolarHBondContact O-N 3.18Å
149	L	95.3	Very high	95.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.3	-175	-72	178.5	0	0	0	114.6	F144 I147 K151 F169 A173	F144-L149 HydrophobicContact CB-CD1 4.02Å; F144-L149 HydrophobicContact CB-CD2 4.25Å; F144-L149 HydrophobicContact CB-CG 4.19Å; F144-L149 HydrophobicContact CD1-CD2 3.84Å; F144-L149 HydrophobicContact CD2-CD1 3.94Å; F144-L149 HydrophobicContact CD2-CD2 4.17Å; F144-L149 HydrophobicContact CE1-CD2 4.2Å; F144-L149 HydrophobicContact CE2-CD2 4.47Å; F144-L149 HydrophobicContact CG-CD1 4.05Å; F144-L149 HydrophobicContact CG-CD2 3.83Å; F144-L149 HydrophobicContact CG-CG 4.24Å; I147-L149 PolarHBondContact O-N 3.4Å; L149-K151 PolarHBondContact O-N 3.4Å; L149-F169 HydrophobicContact CD1-CE2 4.07Å; L149-F169 HydrophobicContact CD2-CE2 3.81Å; L149-F169 HydrophobicContact CD2-CZ 4.41Å; L149-A173 HydrophobicContact CB-CB 4.06Å; L149-A173 HydrophobicContact CD1-CB 3.66Å
150	K	95.1	Very high	95.4	Very high	104 Å²	104	32.6 Å²	32.6	45%	0.452	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.1	172	68.5	-175.3	176	-171.3	0	114.9	P148 A178 E182	P148-K150 PolarHBondContact O-N 3.48Å; P148-K150 VanDerWaalsContact O-N 3.09Å; K150-A178 HydrophobicContact CB-CB 3.91Å; K150-E182 HydrophobicContact CB-CB 4.16Å
151	K	91.9	Very high	95.5	Very high	170 Å²	170	32.6 Å²	32.6	74%	0.739	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-23.8	-177.2	-66.4	-174.5	177.9	-179	0	113.8	P148 L149	P148-K151 HydrophobicContact CB-CB 4.42Å; P148-K151 HydrophobicContact CB-CD 4.5Å; P148-K151 HydrophobicContact CG-CB 4.29Å; P148-K151 HydrophobicContact CG-CD 4.48Å; P148-K151 PolarHBondContact O-N 2.98Å; L149-K151 PolarHBondContact O-N 3.4Å
152	I	90.7	Very high	95.5	Very high	27 Å²	27	29.8 Å²	29.8	14%	0.138	17%	0.171	C	C	.	.	S	Bend	trans	-106	134	-176.8	-75.2	177.9	0	0	0	109.7	I97 L104 I147 P148 T154	I97-I152 HydrophobicContact CD1-CD1 3.59Å; I97-I152 HydrophobicContact CG1-CD1 4.3Å; L104-I152 HydrophobicContact CB-CG2 4.37Å; L104-I152 HydrophobicContact CD1-CG2 3.8Å; L104-I152 HydrophobicContact CG-CG2 3.8Å; I147-I152 HydrophobicContact CG2-CD1 3.9Å; P148-I152 PolarHBondContact O-N 3.18Å; I152-T154 PolarHBondContact O-N 3.5Å
153	S	93.3	Very high	95.6	Very high	28 Å²	28	28.4 Å²	28.4	20%	0.196	16%	0.16	C	C	.	.			trans	-82.7	115	174.5	178.7	0	0	0	0	110.7	R78 L104 A184	R78-S153 PolarHBondContact NH1-O 3.19Å; R78-S153 PolarHBondContact NH2-OG 3.33Å; L104-S153 PolarHBondContact N-O 2.95Å; L104-S153 VanDerWaalsContact N-O 3.14Å; S153-A184 VanDerWaalsContact CA-O 3.29Å; S153-A184 WeakPolarHBondContact CA-O 3.47Å
154	T	93.6	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.5	-175.6	-57.7	0	0	0	0	111.2	L104 V106 F144 I152 M156 F169 A184 G185 T186	L104-T154 HydrophobicContact CB-CG2 4.49Å; V106-T154 HydrophobicContact CG2-CG2 4.24Å; F144-T154 HydrophobicContact CE1-CG2 3.91Å; F144-T154 HydrophobicContact CZ-CG2 3.61Å; I152-T154 PolarHBondContact O-N 3.5Å; T154-M156 HydrophobicContact CG2-CG 4.29Å; T154-F169 HydrophobicContact CG2-CE2 4.01Å; T154-A184 PolarHBondContact N-O 2.87Å; T154-G185 CarbonylContact O-C 3.55Å; T154-G185 WeakPolarHBondContact O-CA 3.26Å; T154-T186 PolarHBondContact O-N 3.07Å
155	S	93.8	Very high	95.8	Very high	21 Å²	21	28.4 Å²	28.4	15%	0.147	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	138.8	171.3	-170.8	0	0	0	0	109.9	L104 S105 V106 T186	L104-S155 WeakPolarHBondContact O-CB 3.17Å; L104-S155 PolarHBondContact O-N 3.32Å; S105-S155 CarbonylContact C-O 3.58Å; S105-S155 VanDerWaalsContact CA-O 3.26Å; S105-S155 WeakPolarHBondContact CA-O 3.45Å; V106-S155 PolarHBondContact N-O 3.21Å; S155-T186 CarbonylContact C-O 3.54Å; S155-T186 VanDerWaalsContact CA-O 3.27Å; S155-T186 WeakPolarHBondContact CA-O 3.4Å
156	M	95.5	Very high	95.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.8	179.2	-71.2	-178.7	-73	0	0	108.6	V106 F108 T154 M158 V165 L166 F169 T186 I187 Q188 F226	V106-M156 HydrophobicContact CB-CG 4.39Å; V106-M156 HydrophobicContact CG2-CG 4.45Å; F108-M156 HydrophobicContact CE2-CB 3.98Å; F108-M156 HydrophobicContact CE2-CG 4.28Å; F108-M156 HydrophobicContact CZ-CB 4.28Å; F108-M156 HydrophobicContact CZ-CG 4.11Å; F108-M156 HydrophobicContact CZ-SD 4.27Å; T154-M156 HydrophobicContact CG2-CG 4.29Å; M156-M158 VanDerWaalsContact C-N 3.33Å; M156-M158 PolarHBondContact O-N 3.05Å; M156-M158 VanDerWaalsContact O-N 3.11Å; M156-V165 HydrophobicContact SD-CG1 4.37Å; M156-L166 HydrophobicContact CE-CD1 4.06Å; M156-F169 HydrophobicContact CE-CB 3.71Å; M156-F169 HydrophobicContact CE-CD1 3.61Å; M156-F169 HydrophobicContact CE-CD2 3.85Å; M156-F169 HydrophobicContact CE-CE1 4.18Å; M156-F169 HydrophobicContact CE-CE2 4.39Å; M156-F169 HydrophobicContact CE-CG 3.42Å; M156-F169 VanDerWaalsContact CE-CG 3.42Å; M156-F169 HydrophobicContact SD-CB 3.82Å; M156-F169 HydrophobicContact SD-CD2 3.94Å; M156-F169 HydrophobicContact SD-CG 3.88Å; M156-T186 PolarHBondContact N-O 3Å; M156-I187 HydrophobicContact CB-CD1 3.53Å; M156-I187 HydrophobicContact CE-CD1 4.1Å; M156-I187 WeakPolarHBondContact O-CA 3.27Å; M156-I187 HydrophobicContact SD-CD1 4.48Å; M156-Q188 PolarHBondContact O-N 2.95Å; M156-F226 HydrophobicContact CE-CE2 4.48Å; M156-F226 HydrophobicContact CE-CZ 3.9Å
157	T	93.5	Very high	96.1	Very high	14 Å²	14	20.9 Å²	20.9	9%	0.086	11%	0.107	C	C	.	.			trans	-86	77.4	176.6	50.3	0	0	0	0	109.4	Y80 V106 H113	Y80-T157 HydrophobicContact CD2-CG2 4.06Å; Y80-T157 HydrophobicContact CE2-CG2 3.38Å; Y80-T157 WeakPolarHBondContact CE2-OG1 3.25Å; Y80-T157 VanDerWaalsContact CZ-OG1 3.24Å; Y80-T157 PolarHBondContact OH-OG1 2.92Å; V106-T157 PolarHBondContact O-N 3.25Å; V106-T157 PolarHBondContact O-OG1 3.21Å; H113-T157 PolarHBondContact CE1-O 2.71Å; H113-T157 PolarHBondContact NE2-O 3.43Å
158	M	97.6	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.			trans	-131.4	141.6	178.4	-178.3	55.5	58.2	0	0	110.1	F108 T112 H113 M156 A161 V162 V165 I187 N189	F108-M158 HydrophobicContact CB-CE 3.53Å; F108-M158 HydrophobicContact CD1-CE 4.26Å; F108-M158 HydrophobicContact CD2-CB 4.26Å; F108-M158 HydrophobicContact CD2-CE 3.44Å; F108-M158 VanDerWaalsContact CD2-CE 3.44Å; F108-M158 HydrophobicContact CE2-CB 4.12Å; F108-M158 HydrophobicContact CE2-CE 4.2Å; F108-M158 HydrophobicContact CG-CE 3.48Å; F108-M158 VanDerWaalsContact CG-CE 3.48Å; T112-M158 HydrophobicContact CG2-CE 3.95Å; H113-M158 HydrophobicContact CB-CE 4.37Å; M156-M158 VanDerWaalsContact C-N 3.33Å; M156-M158 PolarHBondContact O-N 3.05Å; M156-M158 VanDerWaalsContact O-N 3.11Å; M158-A161 HydrophobicContact SD-CB 4.02Å; M158-V162 HydrophobicContact CG-CB 4.45Å; M158-V165 HydrophobicContact CB-CG1 4.2Å; M158-V165 HydrophobicContact CE-CG2 4.1Å; M158-V165 HydrophobicContact CG-CB 3.9Å; M158-V165 HydrophobicContact CG-CG1 4.06Å; M158-V165 HydrophobicContact CG-CG2 3.94Å; M158-V165 HydrophobicContact SD-CG2 4.32Å; M158-I187 HydrophobicContact CB-CD1 3.86Å; M158-N189 PolarHBondContact O-N 3.36Å
159	N	98.6	Very high	96.5	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	9%	0.089	C	C	.	.	S	Bend	trans	-137.2	-61.6	-175.3	-49.7	-80.1	0	0	0	111.9	V162 Q188 N189 D190 K193 E194	N159-V162 VanDerWaalsContact O-CB 3.28Å; N159-V162 WeakPolarHBondContact O-CB 3.24Å; N159-V162 VanDerWaalsContact O-CG1 3.24Å; N159-V162 WeakPolarHBondContact O-CG1 3.32Å; N159-V162 PolarHBondContact O-N 3.3Å; N159-Q188 PolarHBondContact ND2-OE1 3.36Å; N159-Q188 WeakPolarHBondContact OD1-CB 3.12Å; N159-Q188 WeakPolarHBondContact OD1-CG 3.09Å; N159-Q188 PolarHBondContact OD1-OE1 3.15Å; N159-Q188 VanDerWaalsContact OD1-OE1 3.11Å; N159-N189 PolarHBondContact OD1-N 2.9Å; N159-D190 PolarHBondContact OD1-N 3.38Å; N159-D190 PolarHBondContact OD1-O 3.44Å; N159-K193 PolarHBondContact ND2-NZ 3.05Å; N159-K193 VanDerWaalsContact ND2-NZ 3.1Å; N159-K193 PolarHBondContact OD1-NZ 3.33Å; N159-E194 HydrophobicContact CB-CG 3.73Å; N159-E194 VanDerWaalsContact CB-OE1 3.3Å; N159-E194 WeakPolarHBondContact CB-OE1 3.4Å; N159-E194 PolarHBondContact ND2-OE1 2.81Å
160	G	98.3	Very high	96.6	Very high	6 Å²	6	18 Å²	18	6%	0.062	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-66.5	179.7	0	0	0	0	0	112.4	V162 T200 I202	G160-V162 PolarHBondContact O-N 3.3Å; G160-V162 VanDerWaalsContact O-N 3.08Å; G160-T200 VanDerWaalsContact CA-O 3.27Å; G160-T200 WeakPolarHBondContact CA-O 3.35Å; G160-I202 VanDerWaalsContact C-CD1 3.43Å
161	A	98.8	Very high	96.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	35.6	177.7	0	0	0	0	0	113.5	T112 H113 M158 I163 P164 V165 I202 V533	T112-A161 WeakPolarHBondContact O-CB 3.4Å; H113-A161 PolarHBondContact O-N 3.24Å; M158-A161 HydrophobicContact SD-CB 4.02Å; A161-I163 VanDerWaalsContact C-N 3.29Å; A161-I163 PolarHBondContact O-N 3.23Å; A161-P164 HydrophobicContact CB-CG 4.03Å; A161-P164 VanDerWaalsContact O-CD 3.26Å; A161-P164 WeakPolarHBondContact O-CD 3.47Å; A161-P164 WeakPolarHBondContact O-CG 3.41Å; A161-V165 HydrophobicContact CB-CG2 4.39Å; A161-V165 WeakPolarHBondContact O-CB 3.4Å; A161-V165 VanDerWaalsContact O-CG2 3.31Å; A161-V165 WeakPolarHBondContact O-CG2 3.38Å; A161-V165 PolarHBondContact O-N 3.1Å; A161-I202 HydrophobicContact CB-CD1 4.12Å; A161-V533 HydrophobicContact CB-CG1 4.21Å
162	V	98.8	Very high	97.1	Very high	2 Å²	2	5 Å²	5	1%	0.012	3%	0.033	C	C	.	.	H	α-helix	trans	-61.3	-35.5	-174.1	63.8	0	0	0	0	113.3	M158 N159 G160 L166 I187 N189 I211 I215	M158-V162 HydrophobicContact CG-CB 4.45Å; N159-V162 VanDerWaalsContact O-CB 3.28Å; N159-V162 WeakPolarHBondContact O-CB 3.24Å; N159-V162 VanDerWaalsContact O-CG1 3.24Å; N159-V162 WeakPolarHBondContact O-CG1 3.32Å; N159-V162 PolarHBondContact O-N 3.3Å; G160-V162 PolarHBondContact O-N 3.3Å; G160-V162 VanDerWaalsContact O-N 3.08Å; V162-L166 WeakPolarHBondContact O-CB 3.41Å; V162-L166 PolarHBondContact O-N 2.78Å; V162-I187 HydrophobicContact CG2-CD1 4.22Å; V162-I187 HydrophobicContact CG2-CG1 3.58Å; V162-N189 HydrophobicContact CG2-CB 4Å; V162-I211 HydrophobicContact CG1-CG2 3.79Å; V162-I215 HydrophobicContact CB-CD1 4.37Å; V162-I215 HydrophobicContact CG1-CD1 3.68Å; V162-I215 HydrophobicContact CG2-CD1 3.8Å
163	I	98.9	Very high	97.5	Very high	3 Å²	3	3.8 Å²	3.8	2%	0.015	3%	0.026	C	C	.	.	H	α-helix	trans	-63	-59.5	-179.6	-71.8	-68	0	0	0	112	A161 V165 A167 I211 I215 L519 L520 A523 I536 M540	A161-I163 VanDerWaalsContact C-N 3.29Å; A161-I163 PolarHBondContact O-N 3.23Å; I163-V165 PolarHBondContact O-N 2.9Å; I163-A167 VanDerWaalsContact O-CB 3.27Å; I163-A167 WeakPolarHBondContact O-CB 3.34Å; I163-A167 PolarHBondContact O-N 2.77Å; I163-I211 HydrophobicContact CD1-CG2 3.94Å; I163-I211 HydrophobicContact CG1-CG1 4.4Å; I163-I211 HydrophobicContact CG1-CG2 3.63Å; I163-I215 HydrophobicContact CD1-CD1 3.99Å; I163-I215 HydrophobicContact CD1-CG1 3.89Å; I163-L519 HydrophobicContact CD1-CB 3.95Å; I163-L520 HydrophobicContact CD1-CB 4.08Å; I163-A523 HydrophobicContact CG2-CB 3.26Å; I163-I536 HydrophobicContact CG2-CG2 4.24Å; I163-M540 HydrophobicContact CB-CE 3.81Å; I163-M540 HydrophobicContact CB-SD 4.33Å; I163-M540 HydrophobicContact CG1-CE 4.29Å; I163-M540 HydrophobicContact CG1-SD 4.24Å; I163-M540 HydrophobicContact CG2-CE 3.83Å; I163-M540 HydrophobicContact CG2-SD 4.2Å
164	P	98.8	Very high	97.7	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64	-40.7	179.7	22.4	-32.8	0	0	0	112.6	A161 A167 M168 V533 I536	A161-P164 HydrophobicContact CB-CG 4.03Å; A161-P164 VanDerWaalsContact O-CD 3.26Å; A161-P164 WeakPolarHBondContact O-CD 3.47Å; A161-P164 WeakPolarHBondContact O-CG 3.41Å; P164-A167 PolarHBondContact O-N 2.76Å; P164-M168 HydrophobicContact CB-CE 4.43Å; P164-M168 WeakPolarHBondContact O-CB 3.16Å; P164-M168 VanDerWaalsContact O-CG 3.23Å; P164-M168 WeakPolarHBondContact O-CG 3.27Å; P164-M168 PolarHBondContact O-N 3.43Å; P164-V533 HydrophobicContact CB-CB 4.47Å; P164-V533 HydrophobicContact CB-CG1 4.47Å; P164-V533 HydrophobicContact CB-CG2 4.26Å; P164-V533 HydrophobicContact CG-CG1 4.08Å; P164-I536 HydrophobicContact CB-CB 4.01Å; P164-I536 HydrophobicContact CB-CD1 4.05Å; P164-I536 HydrophobicContact CB-CG2 3.9Å; P164-I536 HydrophobicContact CG-CG2 4.33Å
165	V	98.8	Very high	98	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.8	-44.3	-177.6	172.6	0	0	0	0	111.7	F108 T112 M140 M156 M158 A161 I163 M168 F169	F108-V165 HydrophobicContact CE1-CG1 3.87Å; F108-V165 HydrophobicContact CE2-CG1 4.1Å; F108-V165 HydrophobicContact CZ-CG1 3.54Å; T112-V165 HydrophobicContact CG2-CG2 3.86Å; M140-V165 HydrophobicContact CE-CG1 4.11Å; M156-V165 HydrophobicContact SD-CG1 4.37Å; M158-V165 HydrophobicContact CB-CG1 4.2Å; M158-V165 HydrophobicContact CE-CG2 4.1Å; M158-V165 HydrophobicContact CG-CB 3.9Å; M158-V165 HydrophobicContact CG-CG1 4.06Å; M158-V165 HydrophobicContact CG-CG2 3.94Å; M158-V165 HydrophobicContact SD-CG2 4.32Å; A161-V165 HydrophobicContact CB-CG2 4.39Å; A161-V165 WeakPolarHBondContact O-CB 3.4Å; A161-V165 VanDerWaalsContact O-CG2 3.31Å; A161-V165 WeakPolarHBondContact O-CG2 3.38Å; A161-V165 PolarHBondContact O-N 3.1Å; I163-V165 PolarHBondContact O-N 2.9Å; V165-M168 PolarHBondContact O-N 2.59Å; V165-F169 PolarHBondContact O-N 3.41Å
166	L	98.7	Very high	98.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.4	-38.7	176.7	-177.5	57.8	0	0	0	111.5	M156 V162 F169 I170 I187 I215 V219 F226 L520	M156-L166 HydrophobicContact CE-CD1 4.06Å; V162-L166 WeakPolarHBondContact O-CB 3.41Å; V162-L166 PolarHBondContact O-N 2.78Å; L166-F169 HydrophobicContact CD1-CD1 4.28Å; L166-F169 PolarHBondContact O-N 3.11Å; L166-I170 HydrophobicContact CD1-CD1 4.36Å; L166-I170 HydrophobicContact CD1-CG1 4.5Å; L166-I170 HydrophobicContact CG-CD1 4.11Å; L166-I170 VanDerWaalsContact O-CG1 3.31Å; L166-I170 WeakPolarHBondContact O-CG1 3.43Å; L166-I170 PolarHBondContact O-N 3.49Å; L166-I187 HydrophobicContact CD2-CG2 4.49Å; L166-I215 HydrophobicContact CD2-CG2 4.07Å; L166-V219 HydrophobicContact CD2-CG2 4.5Å; L166-F226 HydrophobicContact CD1-CE1 4.04Å; L166-F226 HydrophobicContact CD1-CZ 4.02Å; L166-L520 HydrophobicContact CB-CD1 4.16Å; L166-L520 HydrophobicContact CD2-CD1 4.1Å; L166-L520 HydrophobicContact CD2-CD2 3.66Å; L166-L520 HydrophobicContact CG-CD1 4.05Å; L166-L520 HydrophobicContact CG-CD2 4.26Å
167	A	98.9	Very high	98.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-47.4	173.9	0	0	0	0	0	111.7	I163 P164 F169 I170 V171 L520 A523 I524	I163-A167 VanDerWaalsContact O-CB 3.27Å; I163-A167 WeakPolarHBondContact O-CB 3.34Å; I163-A167 PolarHBondContact O-N 2.77Å; P164-A167 PolarHBondContact O-N 2.76Å; A167-F169 PolarHBondContact O-N 2.55Å; A167-I170 PolarHBondContact O-N 3.1Å; A167-V171 WeakPolarHBondContact O-CG2 3.39Å; A167-V171 PolarHBondContact O-N 3.33Å; A167-L520 HydrophobicContact CB-CD1 4.3Å; A167-A523 HydrophobicContact CB-CB 3.9Å; A167-A523 WeakPolarHBondContact CB-O 3.48Å; A167-I524 HydrophobicContact CB-CG1 3.92Å
168	M	98.8	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.8	-39.4	177.5	-70.6	172.2	-174.4	0	0	112.5	V134 V137 M140 P164 V165 V171 A172 S527 V533 I536	V134-M168 HydrophobicContact CG1-SD 3.99Å; V137-M168 HydrophobicContact CB-CG 4.24Å; M140-M168 HydrophobicContact CB-CB 4.15Å; M140-M168 HydrophobicContact CE-CB 4.24Å; M140-M168 HydrophobicContact CG-CB 4.32Å; P164-M168 HydrophobicContact CB-CE 4.43Å; P164-M168 WeakPolarHBondContact O-CB 3.16Å; P164-M168 VanDerWaalsContact O-CG 3.23Å; P164-M168 WeakPolarHBondContact O-CG 3.27Å; P164-M168 PolarHBondContact O-N 3.43Å; V165-M168 PolarHBondContact O-N 2.59Å; M168-V171 PolarHBondContact O-N 3.03Å; M168-A172 VanDerWaalsContact O-CB 3.25Å; M168-A172 WeakPolarHBondContact O-CB 3.41Å; M168-A172 PolarHBondContact O-N 3.22Å; M168-S527 WeakPolarHBondContact CA-OG 3.36Å; M168-S527 VanDerWaalsContact CG-OG 3.28Å; M168-S527 WeakPolarHBondContact CG-OG 3.45Å; M168-V533 HydrophobicContact CE-CB 4.36Å; M168-V533 HydrophobicContact CE-CG2 3.49Å; M168-V533 VanDerWaalsContact CE-CG2 3.49Å; M168-V533 HydrophobicContact SD-CG2 3.65Å; M168-I536 HydrophobicContact CE-CD1 4.49Å
169	F	98.5	Very high	98.5	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-46	173.4	172.3	-102	0	0	0	112.1	F144 L149 T154 M156 V165 L166 A167 A172 A173 L183 F226	F144-F169 HydrophobicContact CD2-CD2 4.5Å; F144-F169 AromaticContact CE2-CD2 3.8Å; F144-F169 HydrophobicContact CE2-CD2 3.8Å; F144-F169 HydrophobicContact CE2-CE2 4.15Å; F144-F169 HydrophobicContact CZ-CD2 4.38Å; F144-F169 HydrophobicContact CZ-CE2 4.43Å; L149-F169 HydrophobicContact CD1-CE2 4.07Å; L149-F169 HydrophobicContact CD2-CE2 3.81Å; L149-F169 HydrophobicContact CD2-CZ 4.41Å; T154-F169 HydrophobicContact CG2-CE2 4.01Å; M156-F169 HydrophobicContact CE-CB 3.71Å; M156-F169 HydrophobicContact CE-CD1 3.61Å; M156-F169 HydrophobicContact CE-CD2 3.85Å; M156-F169 HydrophobicContact CE-CE1 4.18Å; M156-F169 HydrophobicContact CE-CE2 4.39Å; M156-F169 HydrophobicContact CE-CG 3.42Å; M156-F169 VanDerWaalsContact CE-CG 3.42Å; M156-F169 HydrophobicContact SD-CB 3.82Å; M156-F169 HydrophobicContact SD-CD2 3.94Å; M156-F169 HydrophobicContact SD-CG 3.88Å; V165-F169 PolarHBondContact O-N 3.41Å; L166-F169 HydrophobicContact CD1-CD1 4.28Å; L166-F169 PolarHBondContact O-N 3.11Å; A167-F169 PolarHBondContact O-N 2.55Å; F169-A172 PolarHBondContact O-N 3.08Å; F169-A173 WeakPolarHBondContact O-CB 2.97Å; F169-A173 PolarHBondContact O-N 3.33Å; F169-L183 HydrophobicContact CE1-CD1 4.14Å; F169-F226 HydrophobicContact CD1-CE2 4.4Å; F169-F226 HydrophobicContact CE1-CD2 4.45Å; F169-F226 AromaticContact CE1-CE2 3.73Å; F169-F226 HydrophobicContact CE1-CE2 3.73Å; F169-F226 HydrophobicContact CE1-CZ 4.43Å; F169-F226 HydrophobicContact CZ-CE2 4.34Å
170	I	98.7	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.2	-49	178.5	-70.2	164.9	0	0	0	110.3	L166 A167 A173 E174 Q180 Y218 M223 L520 I524	L166-I170 HydrophobicContact CD1-CD1 4.36Å; L166-I170 HydrophobicContact CD1-CG1 4.5Å; L166-I170 HydrophobicContact CG-CD1 4.11Å; L166-I170 VanDerWaalsContact O-CG1 3.31Å; L166-I170 WeakPolarHBondContact O-CG1 3.43Å; L166-I170 PolarHBondContact O-N 3.49Å; A167-I170 PolarHBondContact O-N 3.1Å; I170-A173 PolarHBondContact O-N 3.47Å; I170-E174 HydrophobicContact CG2-CG 4.41Å; I170-E174 WeakPolarHBondContact O-CG 3.43Å; I170-E174 PolarHBondContact O-N 3.25Å; I170-Q180 HydrophobicContact CG2-CG 3.99Å; I170-Y218 HydrophobicContact CD1-CE1 4.44Å; I170-M223 HydrophobicContact CD1-CE 4.33Å; I170-M223 HydrophobicContact CD1-SD 3.62Å; I170-M223 HydrophobicContact CG1-CE 4.1Å; I170-M223 HydrophobicContact CG1-SD 3.91Å; I170-L520 HydrophobicContact CD1-CD2 4.42Å; I170-I524 HydrophobicContact CB-CG1 4.49Å; I170-I524 HydrophobicContact CD1-CD1 3.69Å; I170-I524 HydrophobicContact CD1-CG1 4.19Å; I170-I524 HydrophobicContact CG2-CD1 4.16Å; I170-I524 HydrophobicContact CG2-CG1 4.37Å
171	V	98.8	Very high	98.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-42.5	-179	178.5	0	0	0	0	111.5	V137 A167 M168 A173 E174 E175 I524 R528	V137-V171 HydrophobicContact CG2-CB 3.81Å; V137-V171 HydrophobicContact CG2-CG1 3.67Å; A167-V171 WeakPolarHBondContact O-CG2 3.39Å; A167-V171 PolarHBondContact O-N 3.33Å; M168-V171 PolarHBondContact O-N 3.03Å; V171-A173 VanDerWaalsContact C-N 3.27Å; V171-A173 PolarHBondContact O-N 3.37Å; V171-E174 PolarHBondContact O-N 2.96Å; V171-E175 HydrophobicContact CG1-CG 4.36Å; V171-E175 WeakPolarHBondContact O-CG 3.29Å; V171-E175 PolarHBondContact O-N 3.28Å; V171-I524 HydrophobicContact CG2-CG2 3.99Å; V171-R528 HydrophobicContact CB-CG 4.32Å; V171-R528 HydrophobicContact CG1-CG 3.72Å; V171-R528 HydrophobicContact CG2-CG 3.53Å
172	A	98.5	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-40.1	175.4	0	0	0	0	0	111.6	M140 K141 M168 F169 Q176	M140-A172 HydrophobicContact CB-CB 4.16Å; M140-A172 HydrophobicContact CG-CB 3.81Å; K141-A172 HydrophobicContact CG-CB 3.89Å; M168-A172 VanDerWaalsContact O-CB 3.25Å; M168-A172 WeakPolarHBondContact O-CB 3.41Å; M168-A172 PolarHBondContact O-N 3.22Å; F169-A172 PolarHBondContact O-N 3.08Å; A172-Q176 WeakPolarHBondContact O-CG 3.47Å; A172-Q176 PolarHBondContact O-N 2.96Å
173	A	98.4	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-70.7	-39.7	177	0	0	0	0	0	113.1	L149 F169 I170 V171 E175 Q176 G177 A178 L183	L149-A173 HydrophobicContact CB-CB 4.06Å; L149-A173 HydrophobicContact CD1-CB 3.66Å; F169-A173 WeakPolarHBondContact O-CB 2.97Å; F169-A173 PolarHBondContact O-N 3.33Å; I170-A173 PolarHBondContact O-N 3.47Å; V171-A173 VanDerWaalsContact C-N 3.27Å; V171-A173 PolarHBondContact O-N 3.37Å; A173-E175 VanDerWaalsContact C-N 3.33Å; A173-Q176 WeakPolarHBondContact O-CB 3.39Å; A173-Q176 PolarHBondContact O-N 3.03Å; A173-G177 PolarHBondContact O-N 3.01Å; A173-A178 HydrophobicContact CB-CB 4.22Å; A173-A178 VanDerWaalsContact O-CB 3.26Å; A173-A178 WeakPolarHBondContact O-CB 3.29Å; A173-A178 PolarHBondContact O-N 3.14Å; A173-L183 HydrophobicContact CB-CD1 4.03Å; A173-L183 HydrophobicContact CB-CD2 3.56Å; A173-L183 HydrophobicContact CB-CG 4.45Å
174	E	98.5	Very high	98.1	Very high	52 Å²	52	29.3 Å²	29.3	24%	0.243	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-39.8	174.2	-73.7	177.3	164.7	0	0	111.7	I170 V171 Q176 G177 Q180 R528	I170-E174 HydrophobicContact CG2-CG 4.41Å; I170-E174 WeakPolarHBondContact O-CG 3.43Å; I170-E174 PolarHBondContact O-N 3.25Å; V171-E174 PolarHBondContact O-N 2.96Å; E174-Q176 VanDerWaalsContact C-N 3.26Å; E174-Q176 PolarHBondContact O-N 2.78Å; E174-G177 WeakPolarHBondContact O-CA 3.49Å; E174-G177 PolarHBondContact O-N 3.27Å; E174-Q180 PolarHBondContact OE1-NE2 3.19Å; E174-R528 VanDerWaalsContact CD-NH2 3.27Å; E174-R528 IonicContact OE1-NH2 2.82Å; E174-R528 PolarHBondContact OE1-NH2 3.21Å; E174-R528 VanDerWaalsContact OE1-NH2 3.08Å; E174-R528 IonicContact OE2-CZ 2.91Å; E174-R528 VanDerWaalsContact OE2-CZ 3.3Å; E174-R528 IonicContact OE2-NE 3.9Å; E174-R528 PolarHBondContact OE2-NE 2.88Å; E174-R528 VanDerWaalsContact OE2-NE 3.12Å; E174-R528 IonicContact OE2-NH2 3.23Å; E174-R528 PolarHBondContact OE2-NH2 3.16Å
175	E	98.5	Very high	97.9	Very high	84 Å²	84	29.4 Å²	29.4	39%	0.393	16%	0.161	S	C	.	.	H	α-helix	trans	-68.9	-23	175.7	-71.8	-172.4	-169.8	0	0	112.9	K141 V171 A173 G177 R530	K141-E175 WeakPolarHBondContact CD-OE2 3.49Å; K141-E175 WeakPolarHBondContact CE-OE2 3.47Å; K141-E175 IonicContact NZ-OE2 3.27Å; K141-E175 PolarHBondContact NZ-OE2 2.97Å; V171-E175 HydrophobicContact CG1-CG 4.36Å; V171-E175 WeakPolarHBondContact O-CG 3.29Å; V171-E175 PolarHBondContact O-N 3.28Å; A173-E175 VanDerWaalsContact C-N 3.33Å; E175-G177 PolarHBondContact O-N 3.1Å; E175-R530 VanDerWaalsContact CD-NH2 3.27Å; E175-R530 IonicContact OE1-CZ 3.71Å; E175-R530 IonicContact OE1-NH1 3.06Å; E175-R530 PolarHBondContact OE1-NH1 3.1Å; E175-R530 IonicContact OE1-NH2 2.73Å; E175-R530 PolarHBondContact OE1-NH2 3.19Å; E175-R530 IonicContact OE2-NH2 2.99Å; E175-R530 PolarHBondContact OE2-NH2 3.12Å
176	Q	97.6	Very high	97.7	Very high	73 Å²	73	30 Å²	30	34%	0.341	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-3.2	165.8	-67.9	-177.2	2.5	0	0	113.5	F144 I147 A172 A173 E174	F144-Q176 PolarHBondContact O-NE2 3.4Å; I147-Q176 PolarHBondContact O-NE2 3.34Å; I147-Q176 PolarHBondContact O-OE1 3.12Å; I147-Q176 VanDerWaalsContact O-OE1 3.11Å; A172-Q176 WeakPolarHBondContact O-CG 3.47Å; A172-Q176 PolarHBondContact O-N 2.96Å; A173-Q176 WeakPolarHBondContact O-CB 3.39Å; A173-Q176 PolarHBondContact O-N 3.03Å; E174-Q176 VanDerWaalsContact C-N 3.26Å; E174-Q176 PolarHBondContact O-N 2.78Å
177	G	97.7	Very high	97.6	Very high	52 Å²	52	30 Å²	30	54%	0.536	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	19.3	-177.2	0	0	0	0	0	114.6	A173 E174 E175	A173-G177 PolarHBondContact O-N 3.01Å; E174-G177 WeakPolarHBondContact O-CA 3.49Å; E174-G177 PolarHBondContact O-N 3.27Å; E175-G177 PolarHBondContact O-N 3.1Å
178	A	97.6	Very high	97.6	Very high	8 Å²	8	30.3 Å²	30.3	7%	0.066	17%	0.166	C	C	.	.			trans	-80.4	142.8	170.6	0	0	0	0	0	110.9	K150 A173 L183	K150-A178 HydrophobicContact CB-CB 3.91Å; A173-A178 HydrophobicContact CB-CB 4.22Å; A173-A178 VanDerWaalsContact O-CB 3.26Å; A173-A178 WeakPolarHBondContact O-CB 3.29Å; A173-A178 PolarHBondContact O-N 3.14Å; A178-L183 HydrophobicContact CB-CD2 3.95Å
179	K	98.2	Very high	97.6	Very high	146 Å²	146	30.4 Å²	30.4	64%	0.635	17%	0.167	S	C	*	.			trans	-85.3	145.3	166.2	-58.6	-179.9	-177.9	179.1	0	109.2	V181 E182	K179-V181 HydrophobicContact CB-CG2 3.99Å; K179-V181 PolarHBondContact O-N 2.83Å; K179-V181 VanDerWaalsContact O-N 3.11Å; K179-E182 HydrophobicContact CB-CG 4.18Å; K179-E182 PolarHBondContact N-OE2 3.23Å; K179-E182 VanDerWaalsContact O-CB 3.31Å; K179-E182 WeakPolarHBondContact O-CB 3.49Å; K179-E182 PolarHBondContact O-N 3.01Å
180	Q	98	Very high	97.6	Very high	25 Å²	25	30.3 Å²	30.3	12%	0.117	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-54.2	-35.4	178.4	-67.1	-167.3	20	0	0	113.5	I170 E174 E182 L183 Y218 N222 M223	I170-Q180 HydrophobicContact CG2-CG 3.99Å; E174-Q180 PolarHBondContact OE1-NE2 3.19Å; Q180-E182 PolarHBondContact O-N 3.43Å; Q180-E182 VanDerWaalsContact O-N 3.17Å; Q180-L183 WeakPolarHBondContact O-CB 3.5Å; Q180-L183 PolarHBondContact O-N 2.99Å; Q180-L183 VanDerWaalsContact O-N 3.09Å; Q180-Y218 PolarHBondContact NE2-OH 3.33Å; Q180-Y218 PolarHBondContact OE1-OH 3.01Å; Q180-N222 CarbonylContact C-O 3.43Å; Q180-M223 HydrophobicContact CB-CG 3.86Å
181	V	97.9	Very high	97.6	Very high	74 Å²	74	30.7 Å²	30.7	45%	0.448	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-65.6	-16.1	176.9	-60.1	0	0	0	0	114.4	K179 N222	K179-V181 HydrophobicContact CB-CG2 3.99Å; K179-V181 PolarHBondContact O-N 2.83Å; K179-V181 VanDerWaalsContact O-N 3.11Å; V181-N222 WeakPolarHBondContact CG1-O 3.43Å; V181-N222 PolarHBondContact N-O 2.88Å
182	E	97.3	Very high	97.5	Very high	68 Å²	68	30.7 Å²	30.7	32%	0.318	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-88.7	-18.9	176.9	-60.2	177	116	0	0	112.2	K150 K179 Q180 A184	K150-E182 HydrophobicContact CB-CB 4.16Å; K179-E182 HydrophobicContact CB-CG 4.18Å; K179-E182 PolarHBondContact N-OE2 3.23Å; K179-E182 VanDerWaalsContact O-CB 3.31Å; K179-E182 WeakPolarHBondContact O-CB 3.49Å; K179-E182 PolarHBondContact O-N 3.01Å; Q180-E182 PolarHBondContact O-N 3.43Å; Q180-E182 VanDerWaalsContact O-N 3.17Å; E182-A184 PolarHBondContact O-N 3.17Å
183	L	97.2	Very high	97.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.168	C	C	.	.			trans	-70.1	119.8	-175.3	-56.1	-178.5	0	0	0	110.8	F169 A173 A178 Q180 M223 K225	F169-L183 HydrophobicContact CE1-CD1 4.14Å; A173-L183 HydrophobicContact CB-CD1 4.03Å; A173-L183 HydrophobicContact CB-CD2 3.56Å; A173-L183 HydrophobicContact CB-CG 4.45Å; A178-L183 HydrophobicContact CB-CD2 3.95Å; Q180-L183 WeakPolarHBondContact O-CB 3.5Å; Q180-L183 PolarHBondContact O-N 2.99Å; Q180-L183 VanDerWaalsContact O-N 3.09Å; L183-M223 HydrophobicContact CB-CE 4.15Å; L183-M223 HydrophobicContact CD1-CE 4.02Å; L183-K225 WeakPolarHBondContact O-CB 3.4Å
184	A	94.7	Very high	97.5	Very high	31 Å²	31	30.7 Å²	30.7	26%	0.256	17%	0.168	S	C	.	.			trans	-114	141.8	173.1	0	0	0	0	0	109	S153 T154 E182 K225	S153-A184 VanDerWaalsContact CA-O 3.29Å; S153-A184 WeakPolarHBondContact CA-O 3.47Å; T154-A184 PolarHBondContact N-O 2.87Å; E182-A184 PolarHBondContact O-N 3.17Å; A184-K225 HydrophobicContact CB-CB 4.26Å
185	G	93.8	Very high	97.4	Very high	1 Å²	1	29 Å²	29	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-174.6	-171.9	0	0	0	0	0	112.4	T154 N227	T154-G185 CarbonylContact O-C 3.55Å; T154-G185 WeakPolarHBondContact O-CA 3.26Å; G185-N227 PolarHBondContact O-N 2.92Å; G185-N227 PolarHBondContact O-ND2 3.27Å; G185-N227 VanDerWaalsContact O-ND2 3.11Å
186	T	95.6	Very high	97.3	Very high	13 Å²	13	25 Å²	25	8%	0.08	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	136.6	176.3	-57.1	0	0	0	0	108.6	T154 S155 M156 N227	T154-T186 PolarHBondContact O-N 3.07Å; S155-T186 CarbonylContact C-O 3.54Å; S155-T186 VanDerWaalsContact CA-O 3.27Å; S155-T186 WeakPolarHBondContact CA-O 3.4Å; M156-T186 PolarHBondContact N-O 3Å; T186-N227 WeakPolarHBondContact CA-O 3.41Å; T186-N227 HydrophobicContact CG2-CB 4Å; T186-N227 PolarHBondContact OG1-ND2 3.21Å
187	I	97.3	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.5	163.4	-170.7	69.5	0	0	0	107.1	M156 M158 V162 L166 N189 F226 N227 S228 I229 S230	M156-I187 HydrophobicContact CB-CD1 3.53Å; M156-I187 HydrophobicContact CE-CD1 4.1Å; M156-I187 WeakPolarHBondContact O-CA 3.27Å; M156-I187 HydrophobicContact SD-CD1 4.48Å; M158-I187 HydrophobicContact CB-CD1 3.86Å; V162-I187 HydrophobicContact CG2-CD1 4.22Å; V162-I187 HydrophobicContact CG2-CG1 3.58Å; L166-I187 HydrophobicContact CD2-CG2 4.49Å; I187-N189 HydrophobicContact CG1-CB 4.31Å; I187-N189 HydrophobicContact CG2-CB 3.91Å; I187-F226 HydrophobicContact CB-CE1 3.82Å; I187-F226 HydrophobicContact CB-CZ 4.2Å; I187-F226 HydrophobicContact CG2-CE1 3.74Å; I187-N227 PolarHBondContact N-O 2.8Å; I187-N227 VanDerWaalsContact N-O 3.16Å; I187-S228 WeakPolarHBondContact CG2-O 3.42Å; I187-I229 CarbonylContact O-C 3.37Å; I187-I229 WeakPolarHBondContact O-CA 3.31Å; I187-S230 PolarHBondContact O-N 2.94Å
188	Q	98.1	Very high	97.2	Very high	6 Å²	6	22 Å²	22	3%	0.028	11%	0.112	C	C	.	.			trans	-64.5	-52	-176	-170.2	176.6	90	0	0	111.3	M156 N159 D190 I229 S230 H235	M156-Q188 PolarHBondContact O-N 2.95Å; N159-Q188 PolarHBondContact ND2-OE1 3.36Å; N159-Q188 WeakPolarHBondContact OD1-CB 3.12Å; N159-Q188 WeakPolarHBondContact OD1-CG 3.09Å; N159-Q188 PolarHBondContact OD1-OE1 3.15Å; N159-Q188 VanDerWaalsContact OD1-OE1 3.11Å; Q188-D190 HydrophobicContact CG-CB 4.46Å; Q188-D190 PolarHBondContact O-N 2.95Å; Q188-I229 WeakPolarHBondContact O-CA 3.46Å; Q188-I229 WeakPolarHBondContact O-CG1 3.42Å; Q188-S230 PolarHBondContact O-N 3.44Å; Q188-H235 PolarHBondContact NE2-CE1 3.49Å; Q188-H235 VanDerWaalsContact NE2-CE1 3.3Å
189	N	98.5	Very high	97.2	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.011	11%	0.109	C	C	.	.			trans	48	34.2	167	-167.4	34.4	0	0	0	114.8	M158 N159 V162 I187 I212 S228 I229	M158-N189 PolarHBondContact O-N 3.36Å; N159-N189 PolarHBondContact OD1-N 2.9Å; V162-N189 HydrophobicContact CG2-CB 4Å; I187-N189 HydrophobicContact CG1-CB 4.31Å; I187-N189 HydrophobicContact CG2-CB 3.91Å; N189-I212 WeakPolarHBondContact O-CD1 3.46Å; N189-S228 WeakPolarHBondContact CB-O 3.43Å; N189-S228 PolarHBondContact ND2-O 3.16Å; N189-I229 HydrophobicContact CB-CG1 4.49Å; N189-I229 VanDerWaalsContact O-CD1 3.27Å; N189-I229 WeakPolarHBondContact O-CD1 3.46Å; N189-I229 WeakPolarHBondContact O-CG1 3.49Å
190	D	98.6	Very high	97.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.			trans	-111.4	97.7	-178.3	-178.6	-10.4	0	0	0	108.2	N159 Q188 K193 I229 I231 S232 Y257	N159-D190 PolarHBondContact OD1-N 3.38Å; N159-D190 PolarHBondContact OD1-O 3.44Å; Q188-D190 HydrophobicContact CG-CB 4.46Å; Q188-D190 PolarHBondContact O-N 2.95Å; D190-K193 HydrophobicContact CB-CG 4.03Å; D190-K193 PolarHBondContact O-NZ 2.83Å; D190-K193 WeakPolarHBondContact OD1-CG 3.43Å; D190-K193 PolarHBondContact OD1-N 2.93Å; D190-K193 WeakPolarHBondContact OD2-CG 3.28Å; D190-I229 HydrophobicContact CB-CG1 4.48Å; D190-I231 WeakPolarHBondContact OD2-CA 3.38Å; D190-S232 PolarHBondContact OD2-N 3.29Å; D190-Y257 WeakPolarHBondContact CA-OH 3.21Å; D190-Y257 WeakPolarHBondContact OD1-CE2 3.45Å; D190-Y257 PolarHBondContact OD1-OH 3.04Å
191	I	98.3	Very high	97.2	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.036	8%	0.075	C	C	.	.			trans	-87.9	-27.5	-175.5	-155.7	82.3	0	0	0	113.2	K193 E194 F195 M209 I212 Y257	I191-K193 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 2.78Å; I191-E194 HydrophobicContact CD1-CB 4.27Å; I191-E194 HydrophobicContact CD1-CG 4.03Å; I191-E194 HydrophobicContact CG1-CB 4.42Å; I191-E194 WeakPolarHBondContact O-CA 3.2Å; I191-E194 VanDerWaalsContact O-CB 3.25Å; I191-E194 WeakPolarHBondContact O-CB 3.24Å; I191-E194 PolarHBondContact O-N 3Å; I191-F195 HydrophobicContact CB-CE2 4.3Å; I191-F195 HydrophobicContact CG1-CD2 4.3Å; I191-F195 HydrophobicContact CG1-CE2 3.55Å; I191-F195 HydrophobicContact CG1-CZ 3.94Å; I191-F195 HydrophobicContact CG2-CE2 4.05Å; I191-F195 WeakPolarHBondContact O-CD2 3.44Å; I191-F195 PolarHBondContact O-N 3.42Å; I191-M209 HydrophobicContact CG2-SD 3.8Å; I191-I212 HydrophobicContact CB-CD1 4.07Å; I191-I212 HydrophobicContact CG2-CD1 3.58Å; I191-Y257 PolarHBondContact N-OH 3.05Å
192	L	98.2	Very high	97.2	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-59.1	-44.5	-179.6	-68.1	175.3	0	0	0	111	E194 F195 M196 M209 D253 E256 Y257 A426	L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 3.11Å; L192-F195 PolarHBondContact O-N 2.96Å; L192-M196 HydrophobicContact CB-CE 4.28Å; L192-M196 PolarHBondContact O-N 3.23Å; L192-M209 HydrophobicContact CD1-CE 4.36Å; L192-M209 HydrophobicContact CD1-SD 4.38Å; L192-M209 HydrophobicContact CD2-SD 3.86Å; L192-M209 HydrophobicContact CG-SD 3.93Å; L192-D253 VanDerWaalsContact CB-OD1 3.28Å; L192-D253 WeakPolarHBondContact CB-OD1 3.41Å; L192-D253 HydrophobicContact CD1-CB 4.14Å; L192-D253 WeakPolarHBondContact CD1-OD1 3.5Å; L192-E256 HydrophobicContact CD1-CB 3.97Å; L192-E256 HydrophobicContact CD1-CG 4.11Å; L192-Y257 WeakPolarHBondContact CB-OH 3.34Å; L192-Y257 HydrophobicContact CD1-CE1 4.02Å; L192-Y257 HydrophobicContact CD1-CE2 4.19Å; L192-Y257 HydrophobicContact CG-CE1 4.13Å; L192-Y257 WeakPolarHBondContact CG-OH 3.45Å; L192-Y257 PolarHBondContact N-OH 3.34Å; L192-A426 HydrophobicContact CD2-CB 4.26Å
193	K	98.3	Very high	97.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.6	-21.3	173.1	71.6	90	169.2	78.9	0	114.7	N159 D190 I191 M196 V197 R198 H235 M236	N159-K193 PolarHBondContact ND2-NZ 3.05Å; N159-K193 VanDerWaalsContact ND2-NZ 3.1Å; N159-K193 PolarHBondContact OD1-NZ 3.33Å; D190-K193 HydrophobicContact CB-CG 4.03Å; D190-K193 PolarHBondContact O-NZ 2.83Å; D190-K193 WeakPolarHBondContact OD1-CG 3.43Å; D190-K193 PolarHBondContact OD1-N 2.93Å; D190-K193 WeakPolarHBondContact OD2-CG 3.28Å; I191-K193 VanDerWaalsContact C-N 3.32Å; I191-K193 PolarHBondContact O-N 2.78Å; K193-M196 HydrophobicContact CB-CE 4.34Å; K193-M196 PolarHBondContact O-N 3.31Å; K193-V197 VanDerWaalsContact O-CG2 3.28Å; K193-V197 WeakPolarHBondContact O-CG2 3.23Å; K193-V197 PolarHBondContact O-N 3.07Å; K193-R198 HydrophobicContact CD-CB 4.16Å; K193-R198 PolarHBondContact O-N 2.91Å; K193-H235 HydrophobicContact CD-CB 4.27Å; K193-H235 VanDerWaalsContact CE-CE1 3.4Å; K193-H235 WeakPolarHBondContact CE-CE1 3.49Å; K193-H235 VanDerWaalsContact CE-ND1 3.27Å; K193-H235 WeakPolarHBondContact CE-ND1 3.42Å; K193-M236 HydrophobicContact CB-CE 3.71Å
194	E	97.9	Very high	97.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-65.7	-43.4	172.2	-63.5	-63.5	158.9	0	0	111	N159 I191 L192 M196 R198 N199 T200 Y201	N159-E194 HydrophobicContact CB-CG 3.73Å; N159-E194 VanDerWaalsContact CB-OE1 3.3Å; N159-E194 WeakPolarHBondContact CB-OE1 3.4Å; N159-E194 PolarHBondContact ND2-OE1 2.81Å; I191-E194 HydrophobicContact CD1-CB 4.27Å; I191-E194 HydrophobicContact CD1-CG 4.03Å; I191-E194 HydrophobicContact CG1-CB 4.42Å; I191-E194 WeakPolarHBondContact O-CA 3.2Å; I191-E194 VanDerWaalsContact O-CB 3.25Å; I191-E194 WeakPolarHBondContact O-CB 3.24Å; I191-E194 PolarHBondContact O-N 3Å; L192-E194 VanDerWaalsContact C-N 3.27Å; L192-E194 PolarHBondContact O-N 3.11Å; E194-M196 VanDerWaalsContact C-N 3.28Å; E194-M196 PolarHBondContact O-N 2.86Å; E194-R198 VanDerWaalsContact OE1-CD 3.31Å; E194-R198 WeakPolarHBondContact OE1-CD 3.31Å; E194-R198 IonicContact OE1-NH1 3.6Å; E194-R198 PolarHBondContact OE1-NH1 3.22Å; E194-R198 VanDerWaalsContact OE2-CB 3.25Å; E194-R198 WeakPolarHBondContact OE2-CB 3.39Å; E194-R198 WeakPolarHBondContact OE2-CG 3.34Å; E194-N199 WeakPolarHBondContact O-CA 3.44Å; E194-N199 PolarHBondContact O-N 2.83Å; E194-N199 PolarHBondContact OE2-N 2.83Å; E194-T200 PolarHBondContact OE1-OG1 2.91Å; E194-T200 VanDerWaalsContact OE1-OG1 3.12Å; E194-T200 WeakPolarHBondContact OE2-CA 3.39Å; E194-T200 WeakPolarHBondContact OE2-CB 3.14Å; E194-T200 PolarHBondContact OE2-N 2.87Å; E194-T200 PolarHBondContact OE2-OG1 3.17Å; E194-Y201 HydrophobicContact CB-CD1 4.29Å; E194-Y201 WeakPolarHBondContact O-CD1 3.03Å
195	F	96	Very high	97.2	Very high	16 Å²	16	8.8 Å²	8.8	7%	0.07	5%	0.047	C	C	.	.	I	π-helix	trans	-70	-25.9	177.2	-60.8	-65.4	0	0	0	112.9	I191 L192 Y201 Y203 P205 V429 Y547	I191-F195 HydrophobicContact CB-CE2 4.3Å; I191-F195 HydrophobicContact CG1-CD2 4.3Å; I191-F195 HydrophobicContact CG1-CE2 3.55Å; I191-F195 HydrophobicContact CG1-CZ 3.94Å; I191-F195 HydrophobicContact CG2-CE2 4.05Å; I191-F195 WeakPolarHBondContact O-CD2 3.44Å; I191-F195 PolarHBondContact O-N 3.42Å; L192-F195 PolarHBondContact O-N 2.96Å; F195-Y201 AromaticContact CD1-CD1 3.54Å; F195-Y201 HydrophobicContact CD1-CD1 3.54Å; F195-Y201 HydrophobicContact CD1-CE1 4.2Å; F195-Y201 AromaticContact CD1-CG 3.77Å; F195-Y201 HydrophobicContact CD1-CG 3.77Å; F195-Y201 AromaticContact CE1-CD1 3.96Å; F195-Y201 HydrophobicContact CE1-CD1 3.96Å; F195-Y201 HydrophobicContact CE1-CD2 4.32Å; F195-Y201 AromaticContact CE1-CG 3.67Å; F195-Y201 HydrophobicContact CE1-CG 3.67Å; F195-Y201 HydrophobicContact CG-CD1 4.3Å; F195-Y203 WeakPolarHBondContact CZ-O 3.22Å; F195-P205 HydrophobicContact CD1-CG 4.42Å; F195-P205 HydrophobicContact CD2-CG 4.37Å; F195-P205 HydrophobicContact CE1-CG 4.11Å; F195-P205 HydrophobicContact CE2-CB 4.08Å; F195-P205 HydrophobicContact CE2-CG 4.06Å; F195-P205 HydrophobicContact CZ-CB 4.26Å; F195-P205 HydrophobicContact CZ-CG 3.94Å; F195-V429 HydrophobicContact CB-CG1 3.46Å; F195-V429 VanDerWaalsContact CB-CG1 3.46Å; F195-V429 HydrophobicContact CD2-CG1 4.46Å; F195-V429 HydrophobicContact CG-CG1 4.3Å; F195-Y547 AromaticContact CD1-CD1 3.7Å; F195-Y547 HydrophobicContact CD1-CD1 3.7Å; F195-Y547 AromaticContact CD1-CE1 3.61Å; F195-Y547 HydrophobicContact CD1-CE1 3.61Å; F195-Y547 HydrophobicContact CD1-CG 4.47Å; F195-Y547 AromaticContact CE1-CD1 3.57Å; F195-Y547 HydrophobicContact CE1-CD1 3.57Å; F195-Y547 AromaticContact CE1-CE1 3.92Å; F195-Y547 HydrophobicContact CE1-CE1 3.92Å; F195-Y547 AromaticContact CE1-CG 3.95Å; F195-Y547 HydrophobicContact CE1-CG 3.95Å
196	M	96.3	Very high	97.1	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	8%	0.081	C	C	.	.	I	π-helix	trans	-78.9	-49.9	177.5	-66.5	-171.5	-100.9	0	0	112.6	L192 K193 E194 M236 D253 M425 V429 P434 K435	L192-M196 HydrophobicContact CB-CE 4.28Å; L192-M196 PolarHBondContact O-N 3.23Å; K193-M196 HydrophobicContact CB-CE 4.34Å; K193-M196 PolarHBondContact O-N 3.31Å; E194-M196 VanDerWaalsContact C-N 3.28Å; E194-M196 PolarHBondContact O-N 2.86Å; M196-M236 HydrophobicContact CE-CE 3.4Å; M196-M236 VanDerWaalsContact CE-CE 3.4Å; M196-M236 HydrophobicContact CE-SD 4.49Å; M196-M236 HydrophobicContact SD-CE 4.19Å; M196-D253 WeakPolarHBondContact CE-OD1 3.48Å; M196-D253 WeakPolarHBondContact CE-OD2 3.35Å; M196-M425 HydrophobicContact CE-CE 3.41Å; M196-M425 VanDerWaalsContact CE-CE 3.41Å; M196-M425 HydrophobicContact SD-CE 3.38Å; M196-M425 WeakPolarHBondContact SD-CE 3.44Å; M196-V429 HydrophobicContact CE-CG2 3.95Å; M196-V429 HydrophobicContact CG-CG1 4.29Å; M196-V429 HydrophobicContact CG-CG2 3.75Å; M196-V429 HydrophobicContact SD-CG2 3.97Å; M196-P434 HydrophobicContact CG-CB 4.15Å; M196-P434 HydrophobicContact SD-CB 3.53Å; M196-P434 VanDerWaalsContact SD-CB 3.53Å; M196-P434 HydrophobicContact SD-CG 4.26Å; M196-K435 WeakPolarHBondContact O-CD 3.41Å; M196-K435 VanDerWaalsContact O-CG 3.29Å; M196-K435 WeakPolarHBondContact O-CG 3.43Å; M196-K435 PolarHBondContact O-NZ 3.41Å
197	V	96.7	Very high	97.2	Very high	11 Å²	11	16.6 Å²	16.6	7%	0.067	8%	0.084	C	C	.	.	I	π-helix	trans	-145.2	-29.4	-161.5	-66.4	0	0	0	0	116.4	K193 H235 M236 A239 I438	K193-V197 VanDerWaalsContact O-CG2 3.28Å; K193-V197 WeakPolarHBondContact O-CG2 3.23Å; K193-V197 PolarHBondContact O-N 3.07Å; V197-H235 HydrophobicContact CG2-CB 3.87Å; V197-M236 HydrophobicContact CG2-CG 4.08Å; V197-A239 HydrophobicContact CB-CB 3.64Å; V197-A239 HydrophobicContact CG1-CB 3.49Å; V197-A239 VanDerWaalsContact CG1-CB 3.49Å; V197-I438 HydrophobicContact CG1-CD1 3.56Å; V197-I438 HydrophobicContact CG1-CG2 4.03Å
198	R	97.2	Very high	97.2	Very high	49 Å²	49	16.8 Å²	16.8	19%	0.185	9%	0.085	C	C	.	.	I	π-helix	trans	-97.3	-18.9	-170	-172.1	173.3	-170.8	-78.6	-3.9	114.1	H113 K193 E194 T200 H235	H113-R198 PolarHBondContact CE1-NH1 3.04Å; H113-R198 PolarHBondContact CE1-NH2 2.78Å; H113-R198 VanDerWaalsContact CE1-NH2 3.3Å; H113-R198 PolarHBondContact ND1-NH1 3.35Å; H113-R198 PolarHBondContact NE2-NH2 3.21Å; K193-R198 HydrophobicContact CD-CB 4.16Å; K193-R198 PolarHBondContact O-N 2.91Å; E194-R198 VanDerWaalsContact OE1-CD 3.31Å; E194-R198 WeakPolarHBondContact OE1-CD 3.31Å; E194-R198 IonicContact OE1-NH1 3.6Å; E194-R198 PolarHBondContact OE1-NH1 3.22Å; E194-R198 VanDerWaalsContact OE2-CB 3.25Å; E194-R198 WeakPolarHBondContact OE2-CB 3.39Å; E194-R198 WeakPolarHBondContact OE2-CG 3.34Å; R198-T200 VanDerWaalsContact C-N 3.28Å; R198-T200 PolarHBondContact NH1-OG1 3.07Å; R198-T200 PolarHBondContact O-N 2.79Å; R198-T200 VanDerWaalsContact O-N 3.15Å; R198-H235 HydrophobicContact CB-CB 4.36Å; R198-H235 WeakPolarHBondContact CD-CD2 3.45Å
199	N	97.3	Very high	97.1	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	9%	0.089	C	C	.	.			trans	56.8	32	167.4	-62.6	-37.4	0	0	0	115.1	E194 Y201 G597 D599 L621 F622	E194-N199 WeakPolarHBondContact O-CA 3.44Å; E194-N199 PolarHBondContact O-N 2.83Å; E194-N199 PolarHBondContact OE2-N 2.83Å; N199-Y201 HydrophobicContact CB-CE1 4.38Å; N199-G597 PolarHBondContact ND2-O 2.97Å; N199-D599 PolarHBondContact ND2-OD2 3.49Å; N199-L621 HydrophobicContact CB-CD1 3.75Å; N199-L621 VanDerWaalsContact CG-CD1 3.42Å; N199-F622 HydrophobicContact CB-CZ 4.45Å; N199-F622 WeakPolarHBondContact O-CE1 3Å; N199-F622 WeakPolarHBondContact O-CZ 3.26Å
200	T	98.2	Very high	97	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	10%	0.1	C	C	.	.			trans	-110.1	25.2	170.7	65.9	0	0	0	0	112.8	L110 H113 G160 E194 R198	L110-T200 HydrophobicContact CD2-CG2 4.24Å; H113-T200 HydrophobicContact CB-CG2 4.17Å; G160-T200 VanDerWaalsContact CA-O 3.27Å; G160-T200 WeakPolarHBondContact CA-O 3.35Å; E194-T200 PolarHBondContact OE1-OG1 2.91Å; E194-T200 VanDerWaalsContact OE1-OG1 3.12Å; E194-T200 WeakPolarHBondContact OE2-CA 3.39Å; E194-T200 WeakPolarHBondContact OE2-CB 3.14Å; E194-T200 PolarHBondContact OE2-N 2.87Å; E194-T200 PolarHBondContact OE2-OG1 3.17Å; R198-T200 VanDerWaalsContact C-N 3.28Å; R198-T200 PolarHBondContact NH1-OG1 3.07Å; R198-T200 PolarHBondContact O-N 2.79Å; R198-T200 VanDerWaalsContact O-N 3.15Å
201	Y	98	Very high	97	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.008	10%	0.101	C	C	.	.			trans	-65.3	155.1	169.3	51.6	-107	0	0	0	111.5	R114 E194 F195 N199 Y547 A549 F622	R114-Y201 PolarHBondContact NE-O 2.77Å; R114-Y201 PolarHBondContact NH2-O 2.69Å; E194-Y201 HydrophobicContact CB-CD1 4.29Å; E194-Y201 WeakPolarHBondContact O-CD1 3.03Å; F195-Y201 AromaticContact CD1-CD1 3.54Å; F195-Y201 HydrophobicContact CD1-CD1 3.54Å; F195-Y201 HydrophobicContact CD1-CE1 4.2Å; F195-Y201 AromaticContact CD1-CG 3.77Å; F195-Y201 HydrophobicContact CD1-CG 3.77Å; F195-Y201 AromaticContact CE1-CD1 3.96Å; F195-Y201 HydrophobicContact CE1-CD1 3.96Å; F195-Y201 HydrophobicContact CE1-CD2 4.32Å; F195-Y201 AromaticContact CE1-CG 3.67Å; F195-Y201 HydrophobicContact CE1-CG 3.67Å; F195-Y201 HydrophobicContact CG-CD1 4.3Å; N199-Y201 HydrophobicContact CB-CE1 4.38Å; Y201-Y547 HydrophobicContact CD1-CD1 4.4Å; Y201-Y547 AromaticContact CD2-CD1 3.62Å; Y201-Y547 HydrophobicContact CD2-CD1 3.62Å; Y201-Y547 HydrophobicContact CD2-CG 4.33Å; Y201-Y547 HydrophobicContact CE1-CD1 4.28Å; Y201-Y547 HydrophobicContact CE1-CE1 4.43Å; Y201-Y547 AromaticContact CE2-CD1 3.5Å; Y201-Y547 HydrophobicContact CE2-CD1 3.5Å; Y201-Y547 HydrophobicContact CE2-CE1 4.29Å; Y201-Y547 HydrophobicContact CE2-CG 4.42Å; Y201-Y547 HydrophobicContact CG-CD1 4.1Å; Y201-Y547 AromaticContact CZ-CD1 3.86Å; Y201-A549 VanDerWaalsContact OH-CB 3.24Å; Y201-A549 WeakPolarHBondContact OH-CB 3.44Å; Y201-F622 AromaticContact CE2-CE2 3.86Å; Y201-F622 HydrophobicContact CE2-CE2 3.86Å; Y201-F622 HydrophobicContact CE2-CZ 4.33Å
202	I	98.6	Very high	97	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.099	C	C	.	.			trans	-116.1	-63.6	172.9	-58.8	177	0	0	0	108.5	R114 G160 A161 R546 Y547	R114-I202 WeakPolarHBondContact O-CD1 3.35Å; G160-I202 VanDerWaalsContact C-CD1 3.43Å; A161-I202 HydrophobicContact CB-CD1 4.12Å; I202-R546 HydrophobicContact CG2-CG 4.09Å; I202-R546 CarbonylContact O-C 3.56Å; I202-R546 VanDerWaalsContact O-CA 3.28Å; I202-R546 WeakPolarHBondContact O-CA 3.37Å; I202-Y547 PolarHBondContact O-N 3.16Å
203	Y	98.3	Very high	96.9	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.012	10%	0.101	C	C	.	.	S	Bend	trans	-92.3	163.8	-173.5	-41.8	-68.6	0	0	0	112	F195 S208 I211 S537 M540 E541 F544 G545	F195-Y203 WeakPolarHBondContact CZ-O 3.22Å; Y203-S208 PolarHBondContact O-OG 3.04Å; Y203-S208 VanDerWaalsContact O-OG 3.12Å; Y203-I211 HydrophobicContact CD2-CD1 3.45Å; Y203-I211 VanDerWaalsContact CD2-CD1 3.45Å; Y203-I211 HydrophobicContact CE2-CD1 3.64Å; Y203-I211 HydrophobicContact CG-CD1 4.45Å; Y203-S537 WeakPolarHBondContact OH-CA 3.42Å; Y203-S537 PolarHBondContact OH-O 2.9Å; Y203-M540 HydrophobicContact CE1-CB 3.99Å; Y203-M540 HydrophobicContact CE2-CE 4.23Å; Y203-M540 HydrophobicContact CE2-SD 4.5Å; Y203-M540 VanDerWaalsContact OH-CE 3.22Å; Y203-M540 WeakPolarHBondContact OH-CE 3.34Å; Y203-E541 HydrophobicContact CE1-CB 4.21Å; Y203-F544 HydrophobicContact CD1-CB 3.84Å; Y203-F544 AromaticContact CD1-CD2 3.93Å; Y203-F544 HydrophobicContact CD1-CD2 3.93Å; Y203-F544 HydrophobicContact CD1-CG 4.41Å; Y203-F544 HydrophobicContact CD2-CD2 4.44Å; Y203-F544 HydrophobicContact CE1-CD2 4.3Å; Y203-F544 HydrophobicContact CG-CB 4.24Å; Y203-F544 HydrophobicContact CG-CD2 4.01Å; Y203-G545 WeakPolarHBondContact CD1-O 3.4Å
204	P	96.1	Very high	96.8	Very high	36 Å²	36	21.7 Å²	21.7	23%	0.234	11%	0.107	C	C	.	.			trans	-57.3	164.5	172.3	-25.9	35.1	0	0	0	113.5	E206 P207 S208 F544 Y547	P204-E206 PolarHBondContact O-N 3.05Å; P204-P207 HydrophobicContact CB-CG 3.99Å; P204-P207 HydrophobicContact CG-CG 4.3Å; P204-P207 VanDerWaalsContact O-CD 3.27Å; P204-P207 WeakPolarHBondContact O-CD 3.46Å; P204-P207 VanDerWaalsContact O-CG 3.31Å; P204-P207 WeakPolarHBondContact O-CG 3.38Å; P204-S208 WeakPolarHBondContact O-CB 3.13Å; P204-S208 PolarHBondContact O-N 3.19Å; P204-S208 VanDerWaalsContact O-N 3.14Å; P204-S208 PolarHBondContact O-OG 3.5Å; P204-F544 WeakPolarHBondContact CD-O 3.49Å; P204-Y547 HydrophobicContact CB-CD2 4.26Å
205	P	93.1	Very high	96.8	Very high	29 Å²	29	21.7 Å²	21.7	19%	0.188	11%	0.107	C	C	.	.	H	α-helix	trans	-56.2	-47.1	-175.5	-29.4	36.1	0	0	0	114.5	F195 S208 M209 Y547	F195-P205 HydrophobicContact CD1-CG 4.42Å; F195-P205 HydrophobicContact CD2-CG 4.37Å; F195-P205 HydrophobicContact CE1-CG 4.11Å; F195-P205 HydrophobicContact CE2-CB 4.08Å; F195-P205 HydrophobicContact CE2-CG 4.06Å; F195-P205 HydrophobicContact CZ-CB 4.26Å; F195-P205 HydrophobicContact CZ-CG 3.94Å; P205-S208 PolarHBondContact O-N 2.74Å; P205-M209 WeakPolarHBondContact O-CG 3.33Å; P205-M209 PolarHBondContact O-N 3.11Å; P205-Y547 HydrophobicContact CG-CE2 4.5Å
206	E	93.4	Very high	96.9	Very high	156 Å²	156	21 Å²	21	73%	0.729	10%	0.104	S	C	*	.	H	α-helix	trans	-61.5	-53.5	-177.5	-175.1	171.2	-165.2	0	0	114.3	P204 S208 M209 R210	P204-E206 PolarHBondContact O-N 3.05Å; E206-S208 PolarHBondContact O-N 2.72Å; E206-M209 PolarHBondContact O-N 2.97Å; E206-R210 PolarHBondContact O-N 3.47Å; E206-R210 VanDerWaalsContact O-N 3.09Å
207	P	96.8	Very high	96.8	Very high	22 Å²	22	22.4 Å²	22.4	14%	0.143	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-32.2	176.1	22.3	-32	0	0	0	112.1	P204 R210 I211 F544	P204-P207 HydrophobicContact CB-CG 3.99Å; P204-P207 HydrophobicContact CG-CG 4.3Å; P204-P207 VanDerWaalsContact O-CD 3.27Å; P204-P207 WeakPolarHBondContact O-CD 3.46Å; P204-P207 VanDerWaalsContact O-CG 3.31Å; P204-P207 WeakPolarHBondContact O-CG 3.38Å; P207-R210 WeakPolarHBondContact O-CB 3.25Å; P207-R210 PolarHBondContact O-N 3.44Å; P207-I211 PolarHBondContact O-N 3.34Å; P207-F544 HydrophobicContact CB-CB 4.02Å; P207-F544 HydrophobicContact CB-CD1 3.56Å; P207-F544 HydrophobicContact CB-CD2 3.89Å; P207-F544 HydrophobicContact CB-CE1 3.9Å; P207-F544 HydrophobicContact CB-CE2 4.21Å; P207-F544 HydrophobicContact CB-CG 3.55Å; P207-F544 HydrophobicContact CB-CZ 4.22Å; P207-F544 HydrophobicContact CG-CB 4.08Å; P207-F544 HydrophobicContact CG-CD1 4.37Å; P207-F544 HydrophobicContact CG-CG 4.18Å
208	S	97.6	Very high	96.8	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.028	12%	0.117	C	C	.	.	H	α-helix	trans	-66.1	-39.8	175.7	-57.5	0	0	0	0	112.7	Y203 P204 P205 E206 R210 I211 I212	Y203-S208 PolarHBondContact O-OG 3.04Å; Y203-S208 VanDerWaalsContact O-OG 3.12Å; P204-S208 WeakPolarHBondContact O-CB 3.13Å; P204-S208 PolarHBondContact O-N 3.19Å; P204-S208 VanDerWaalsContact O-N 3.14Å; P204-S208 PolarHBondContact O-OG 3.5Å; P205-S208 PolarHBondContact O-N 2.74Å; E206-S208 PolarHBondContact O-N 2.72Å; S208-R210 VanDerWaalsContact C-N 3.3Å; S208-R210 PolarHBondContact O-N 3.29Å; S208-I211 WeakPolarHBondContact O-CB 3.5Å; S208-I211 PolarHBondContact O-N 3.22Å; S208-I212 PolarHBondContact O-N 2.87Å
209	M	96	Very high	96.8	Very high	21 Å²	21	20.7 Å²	20.7	10%	0.103	11%	0.109	C	C	.	.	H	α-helix	trans	-66.8	-34.1	174	-66.5	-56.4	-65.4	0	0	111.7	I191 L192 P205 E206 I212 G213 E256 Y257 T260	I191-M209 HydrophobicContact CG2-SD 3.8Å; L192-M209 HydrophobicContact CD1-CE 4.36Å; L192-M209 HydrophobicContact CD1-SD 4.38Å; L192-M209 HydrophobicContact CD2-SD 3.86Å; L192-M209 HydrophobicContact CG-SD 3.93Å; P205-M209 WeakPolarHBondContact O-CG 3.33Å; P205-M209 PolarHBondContact O-N 3.11Å; E206-M209 PolarHBondContact O-N 2.97Å; M209-I212 PolarHBondContact O-N 3.43Å; M209-I212 HydrophobicContact SD-CD1 4.24Å; M209-G213 PolarHBondContact O-N 3.05Å; M209-G213 VanDerWaalsContact O-N 3.08Å; M209-E256 HydrophobicContact CE-CG 4.43Å; M209-Y257 HydrophobicContact CE-CD1 3.64Å; M209-Y257 HydrophobicContact CE-CE1 3.6Å; M209-Y257 HydrophobicContact SD-CD1 4.49Å; M209-Y257 HydrophobicContact SD-CE1 3.86Å; M209-T260 HydrophobicContact CE-CG2 4.25Å; M209-T260 WeakPolarHBondContact CE-OG1 3.5Å; M209-T260 WeakPolarHBondContact O-CG2 3.42Å
210	R	96	Very high	96.5	Very high	62 Å²	62	22.3 Å²	22.3	23%	0.234	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-43.3	172.5	178.2	-94.1	166.2	130.4	-6.8	111.7	E206 P207 S208 I212 G213 D214 A512 A513 G517	E206-R210 PolarHBondContact O-N 3.47Å; E206-R210 VanDerWaalsContact O-N 3.09Å; P207-R210 WeakPolarHBondContact O-CB 3.25Å; P207-R210 PolarHBondContact O-N 3.44Å; S208-R210 VanDerWaalsContact C-N 3.3Å; S208-R210 PolarHBondContact O-N 3.29Å; R210-I212 VanDerWaalsContact C-N 3.26Å; R210-I212 PolarHBondContact O-N 3.25Å; R210-G213 PolarHBondContact O-N 2.88Å; R210-G213 VanDerWaalsContact O-N 3.1Å; R210-D214 IonicContact CZ-OD2 3.62Å; R210-D214 IonicContact NE-OD1 2.73Å; R210-D214 PolarHBondContact NE-OD1 3.43Å; R210-D214 IonicContact NE-OD2 2.77Å; R210-D214 PolarHBondContact NE-OD2 3.17Å; R210-D214 IonicContact NH2-OD1 3.7Å; R210-D214 IonicContact NH2-OD2 3.31Å; R210-D214 PolarHBondContact NH2-OD2 3.49Å; R210-D214 PolarHBondContact O-N 3.41Å; R210-A512 PolarHBondContact NH1-O 3.12Å; R210-A512 PolarHBondContact NH2-O 2.85Å; R210-A513 PolarHBondContact NH1-O 3.42Å; R210-A513 VanDerWaalsContact NH1-O 3.1Å; R210-G517 PolarHBondContact NH2-O 3.36Å; R210-G517 VanDerWaalsContact NH2-O 3.13Å
211	I	98.4	Very high	96.4	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-53.9	-44.8	174	-77.8	161.9	0	0	0	111	V162 I163 Y203 P207 S208 G213 D214 I215 L519 M540 F544	V162-I211 HydrophobicContact CG1-CG2 3.79Å; I163-I211 HydrophobicContact CD1-CG2 3.94Å; I163-I211 HydrophobicContact CG1-CG1 4.4Å; I163-I211 HydrophobicContact CG1-CG2 3.63Å; Y203-I211 HydrophobicContact CD2-CD1 3.45Å; Y203-I211 VanDerWaalsContact CD2-CD1 3.45Å; Y203-I211 HydrophobicContact CE2-CD1 3.64Å; Y203-I211 HydrophobicContact CG-CD1 4.45Å; P207-I211 PolarHBondContact O-N 3.34Å; S208-I211 WeakPolarHBondContact O-CB 3.5Å; S208-I211 PolarHBondContact O-N 3.22Å; I211-G213 PolarHBondContact O-N 3.28Å; I211-D214 PolarHBondContact O-N 2.79Å; I211-I215 HydrophobicContact CG2-CD1 3.95Å; I211-I215 WeakPolarHBondContact O-CG1 3.38Å; I211-I215 PolarHBondContact O-N 3.02Å; I211-L519 HydrophobicContact CG1-CD1 3.57Å; I211-M540 HydrophobicContact CD1-SD 4.29Å; I211-F544 HydrophobicContact CD1-CE2 4.23Å
212	I	97.6	Very high	96.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-42.9	177.6	-65.9	174.5	0	0	0	111.3	N189 I191 S208 M209 R210 D214 I215 F216 Y257	N189-I212 WeakPolarHBondContact O-CD1 3.46Å; I191-I212 HydrophobicContact CB-CD1 4.07Å; I191-I212 HydrophobicContact CG2-CD1 3.58Å; S208-I212 PolarHBondContact O-N 2.87Å; M209-I212 PolarHBondContact O-N 3.43Å; M209-I212 HydrophobicContact SD-CD1 4.24Å; R210-I212 VanDerWaalsContact C-N 3.26Å; R210-I212 PolarHBondContact O-N 3.25Å; I212-D214 PolarHBondContact O-N 3.45Å; I212-I215 PolarHBondContact O-N 3.1Å; I212-F216 HydrophobicContact CG2-CD1 4.13Å; I212-F216 HydrophobicContact CG2-CD2 4.34Å; I212-F216 HydrophobicContact CG2-CE1 3.57Å; I212-F216 HydrophobicContact CG2-CE2 3.8Å; I212-F216 HydrophobicContact CG2-CG 4.49Å; I212-F216 HydrophobicContact CG2-CZ 3.39Å; I212-F216 WeakPolarHBondContact O-CD1 3.36Å; I212-F216 WeakPolarHBondContact O-CG 3.49Å; I212-F216 PolarHBondContact O-N 3.37Å; I212-Y257 HydrophobicContact CD1-CD1 4.16Å; I212-Y257 HydrophobicContact CD1-CE1 3.45Å; I212-Y257 VanDerWaalsContact CD1-CE1 3.45Å; I212-Y257 HydrophobicContact CG2-CD1 4.14Å; I212-Y257 HydrophobicContact CG2-CE1 4.46Å
213	G	96.5	Very high	96.2	Very high	4 Å²	4	32.1 Å²	32.1	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-57.8	-45.2	174.6	0	0	0	0	0	112.9	M209 R210 I211 I215 F216 A217	M209-G213 PolarHBondContact O-N 3.05Å; M209-G213 VanDerWaalsContact O-N 3.08Å; R210-G213 PolarHBondContact O-N 2.88Å; R210-G213 VanDerWaalsContact O-N 3.1Å; I211-G213 PolarHBondContact O-N 3.28Å; G213-I215 PolarHBondContact O-N 3.2Å; G213-F216 PolarHBondContact O-N 3.22Å; G213-A217 PolarHBondContact O-N 3.18Å
214	D	97.5	Very high	96	Very high	25 Å²	25	35 Å²	35	13%	0.134	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-42.2	176.5	-81	25.9	0	0	0	111.5	R210 I211 I212 A217 Y218 N518 L519	R210-D214 IonicContact CZ-OD2 3.62Å; R210-D214 IonicContact NE-OD1 2.73Å; R210-D214 PolarHBondContact NE-OD1 3.43Å; R210-D214 IonicContact NE-OD2 2.77Å; R210-D214 PolarHBondContact NE-OD2 3.17Å; R210-D214 IonicContact NH2-OD1 3.7Å; R210-D214 IonicContact NH2-OD2 3.31Å; R210-D214 PolarHBondContact NH2-OD2 3.49Å; R210-D214 PolarHBondContact O-N 3.41Å; I211-D214 PolarHBondContact O-N 2.79Å; I212-D214 PolarHBondContact O-N 3.45Å; D214-A217 PolarHBondContact O-N 2.98Å; D214-Y218 PolarHBondContact O-N 2.99Å; D214-N518 WeakPolarHBondContact CA-ND2 3.34Å; D214-N518 WeakPolarHBondContact CB-ND2 3.38Å; D214-N518 PolarHBondContact O-ND2 3.48Å; D214-L519 HydrophobicContact CB-CB 4.39Å; D214-L519 PolarHBondContact OD2-N 2.81Å
215	I	97.9	Very high	95.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-43.7	175.8	-68.6	166	0	0	0	110.6	V162 I163 L166 I211 I212 G213 A217 Y218 V219 L520	V162-I215 HydrophobicContact CB-CD1 4.37Å; V162-I215 HydrophobicContact CG1-CD1 3.68Å; V162-I215 HydrophobicContact CG2-CD1 3.8Å; I163-I215 HydrophobicContact CD1-CD1 3.99Å; I163-I215 HydrophobicContact CD1-CG1 3.89Å; L166-I215 HydrophobicContact CD2-CG2 4.07Å; I211-I215 HydrophobicContact CG2-CD1 3.95Å; I211-I215 WeakPolarHBondContact O-CG1 3.38Å; I211-I215 PolarHBondContact O-N 3.02Å; I212-I215 PolarHBondContact O-N 3.1Å; G213-I215 PolarHBondContact O-N 3.2Å; I215-A217 VanDerWaalsContact C-N 3.34Å; I215-A217 PolarHBondContact O-N 2.69Å; I215-Y218 PolarHBondContact O-N 3.28Å; I215-V219 HydrophobicContact CG2-CG2 3.96Å; I215-V219 VanDerWaalsContact O-CB 3.29Å; I215-V219 WeakPolarHBondContact O-CB 3.37Å; I215-V219 VanDerWaalsContact O-CG2 3.31Å; I215-V219 WeakPolarHBondContact O-CG2 3.35Å; I215-V219 PolarHBondContact O-N 2.92Å; I215-L520 HydrophobicContact CG1-CD2 4.37Å
216	F	96.4	Very high	96.1	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-44.5	178	-71	1.3	0	0	0	111.3	I212 G213 S220 S228 I229 L266 F271 L275	I212-F216 HydrophobicContact CG2-CD1 4.13Å; I212-F216 HydrophobicContact CG2-CD2 4.34Å; I212-F216 HydrophobicContact CG2-CE1 3.57Å; I212-F216 HydrophobicContact CG2-CE2 3.8Å; I212-F216 HydrophobicContact CG2-CG 4.49Å; I212-F216 HydrophobicContact CG2-CZ 3.39Å; I212-F216 WeakPolarHBondContact O-CD1 3.36Å; I212-F216 WeakPolarHBondContact O-CG 3.49Å; I212-F216 PolarHBondContact O-N 3.37Å; G213-F216 PolarHBondContact O-N 3.22Å; F216-S220 WeakPolarHBondContact O-CB 3.38Å; F216-S220 PolarHBondContact O-N 2.96Å; F216-S220 PolarHBondContact O-OG 3.1Å; F216-S228 VanDerWaalsContact CD1-OG 3.3Å; F216-S228 WeakPolarHBondContact CD1-OG 3.34Å; F216-S228 WeakPolarHBondContact CE1-OG 3.5Å; F216-I229 HydrophobicContact CE1-CB 3.9Å; F216-I229 HydrophobicContact CE1-CD1 4.42Å; F216-I229 HydrophobicContact CE1-CG2 3.93Å; F216-I229 HydrophobicContact CZ-CB 4.08Å; F216-I229 HydrophobicContact CZ-CD1 3.96Å; F216-I229 HydrophobicContact CZ-CG2 3.81Å; F216-L266 HydrophobicContact CB-CD1 3.7Å; F216-F271 HydrophobicContact CD2-CD2 4.2Å; F216-F271 HydrophobicContact CD2-CE2 4.39Å; F216-F271 HydrophobicContact CE2-CD2 4.38Å; F216-F271 HydrophobicContact CE2-CE2 4.37Å; F216-L275 HydrophobicContact CZ-CD2 4.36Å
217	A	95.2	Very high	96.1	Very high	32 Å²	32	30.9 Å²	30.9	26%	0.264	16%	0.159	S	C	.	.	H	α-helix	trans	-62.2	-44.1	178.5	0	0	0	0	0	111.9	G213 D214 I215 S220	G213-A217 PolarHBondContact O-N 3.18Å; D214-A217 PolarHBondContact O-N 2.98Å; I215-A217 VanDerWaalsContact C-N 3.34Å; I215-A217 PolarHBondContact O-N 2.69Å; A217-S220 PolarHBondContact O-OG 3.21Å
218	Y	96.8	Very high	96.1	Very high	22 Å²	22	30 Å²	30	9%	0.086	15%	0.153	C	C	.	.	H	α-helix	trans	-70.7	-48.6	180	-169.2	-83.7	0	0	0	112.5	I170 Q180 D214 I215 K221 N222 L520 E521 I524	I170-Y218 HydrophobicContact CD1-CE1 4.44Å; Q180-Y218 PolarHBondContact NE2-OH 3.33Å; Q180-Y218 PolarHBondContact OE1-OH 3.01Å; D214-Y218 PolarHBondContact O-N 2.99Å; I215-Y218 PolarHBondContact O-N 3.28Å; Y218-K221 PolarHBondContact O-N 3.37Å; Y218-N222 HydrophobicContact CD1-CB 4.35Å; Y218-N222 HydrophobicContact CE1-CB 4Å; Y218-N222 WeakPolarHBondContact CE2-ND2 3.43Å; Y218-N222 PolarHBondContact O-N 3.1Å; Y218-N222 PolarHBondContact O-ND2 3.43Å; Y218-L520 HydrophobicContact CD1-CD2 3.62Å; Y218-L520 HydrophobicContact CD1-CG 4.17Å; Y218-L520 HydrophobicContact CE1-CD2 4.35Å; Y218-L520 HydrophobicContact CG-CB 4.4Å; Y218-L520 HydrophobicContact CG-CD2 3.91Å; Y218-L520 HydrophobicContact CG-CG 4.25Å; Y218-E521 HydrophobicContact CD2-CB 3.94Å; Y218-E521 HydrophobicContact CE2-CB 3.75Å; Y218-E521 HydrophobicContact CE2-CG 4.05Å; Y218-I524 HydrophobicContact CE1-CD1 3.64Å; Y218-I524 HydrophobicContact CE2-CD1 4.15Å; Y218-I524 VanDerWaalsContact CZ-CD1 3.41Å; Y218-I524 VanDerWaalsContact OH-CD1 3.23Å; Y218-I524 WeakPolarHBondContact OH-CD1 3.27Å
219	V	96.4	Very high	96.1	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-42.5	-175.3	169.4	0	0	0	0	111.5	L166 I215 K221 N222 M223 F226 L520	L166-V219 HydrophobicContact CD2-CG2 4.5Å; I215-V219 HydrophobicContact CG2-CG2 3.96Å; I215-V219 VanDerWaalsContact O-CB 3.29Å; I215-V219 WeakPolarHBondContact O-CB 3.37Å; I215-V219 VanDerWaalsContact O-CG2 3.31Å; I215-V219 WeakPolarHBondContact O-CG2 3.35Å; I215-V219 PolarHBondContact O-N 2.92Å; V219-K221 PolarHBondContact O-N 2.98Å; V219-N222 PolarHBondContact O-N 2.92Å; V219-M223 HydrophobicContact CG1-CB 4.08Å; V219-M223 HydrophobicContact CG2-SD 4.37Å; V219-M223 CarbonylContact O-C 3.49Å; V219-M223 VanDerWaalsContact O-C 3.26Å; V219-M223 WeakPolarHBondContact O-CA 3.42Å; V219-M223 PolarHBondContact O-N 3.03Å; V219-F226 HydrophobicContact CG1-CB 4.15Å; V219-F226 HydrophobicContact CG1-CD1 4.39Å; V219-L520 HydrophobicContact CG2-CD2 4.42Å
220	S	92.8	Very high	96.2	Very high	37 Å²	37	29.3 Å²	29.3	26%	0.259	15%	0.15	S	C	.	.	H	α-helix	trans	-61	-30.2	178.5	60.5	0	0	0	0	112.8	F216 A217	F216-S220 WeakPolarHBondContact O-CB 3.38Å; F216-S220 PolarHBondContact O-N 2.96Å; F216-S220 PolarHBondContact O-OG 3.1Å; A217-S220 PolarHBondContact O-OG 3.21Å
221	K	94.2	Very high	96.4	Very high	167 Å²	167	26.3 Å²	26.3	73%	0.726	14%	0.139	S	C	*	.	H	α-helix	trans	-82.3	-47.2	177	-176.3	-179	174.8	-174.8	0	113.1	Y218 V219	Y218-K221 PolarHBondContact O-N 3.37Å; V219-K221 PolarHBondContact O-N 2.98Å
222	N	97.1	Very high	96.4	Very high	45 Å²	45	26.1 Å²	26.1	24%	0.241	14%	0.137	C	C	.	.	H	α-helix	trans	-105.2	-21.1	-165.4	-58.9	-60.1	0	0	0	114.3	Q180 V181 Y218 V219	Q180-N222 CarbonylContact C-O 3.43Å; V181-N222 WeakPolarHBondContact CG1-O 3.43Å; V181-N222 PolarHBondContact N-O 2.88Å; Y218-N222 HydrophobicContact CD1-CB 4.35Å; Y218-N222 HydrophobicContact CE1-CB 4Å; Y218-N222 WeakPolarHBondContact CE2-ND2 3.43Å; Y218-N222 PolarHBondContact O-N 3.1Å; Y218-N222 PolarHBondContact O-ND2 3.43Å; V219-N222 PolarHBondContact O-N 2.92Å
223	M	97.2	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.			trans	-134.6	60.3	-170.5	-65	170.5	67.1	0	0	111.8	I170 Q180 L183 V219 K225 F226	I170-M223 HydrophobicContact CD1-CE 4.33Å; I170-M223 HydrophobicContact CD1-SD 3.62Å; I170-M223 HydrophobicContact CG1-CE 4.1Å; I170-M223 HydrophobicContact CG1-SD 3.91Å; Q180-M223 HydrophobicContact CB-CG 3.86Å; L183-M223 HydrophobicContact CB-CE 4.15Å; L183-M223 HydrophobicContact CD1-CE 4.02Å; V219-M223 HydrophobicContact CG1-CB 4.08Å; V219-M223 HydrophobicContact CG2-SD 4.37Å; V219-M223 CarbonylContact O-C 3.49Å; V219-M223 VanDerWaalsContact O-C 3.26Å; V219-M223 WeakPolarHBondContact O-CA 3.42Å; V219-M223 PolarHBondContact O-N 3.03Å; M223-K225 PolarHBondContact O-N 2.84Å; M223-F226 HydrophobicContact CB-CB 3.93Å; M223-F226 HydrophobicContact CE-CB 3.89Å; M223-F226 HydrophobicContact CE-CD1 4.1Å; M223-F226 HydrophobicContact CE-CD2 3.69Å; M223-F226 HydrophobicContact CE-CE2 4.22Å; M223-F226 HydrophobicContact CE-CG 3.63Å; M223-F226 WeakPolarHBondContact O-CB 3.35Å; M223-F226 PolarHBondContact O-N 3.16Å
224	P	93.5	Very high	96.5	Very high	62 Å²	62	27.1 Å²	27.1	40%	0.403	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.4	-170.9	27.1	-37.8	0	0	0	115.4	R274	P224-R274 WeakPolarHBondContact O-CD 3.35Å; P224-R274 PolarHBondContact O-NE 3.33Å; P224-R274 PolarHBondContact O-NH1 3.02Å; P224-R274 PolarHBondContact O-NH2 3.3Å
225	K	94.2	Very high	96.5	Very high	113 Å²	113	27 Å²	27	49%	0.491	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-9.4	175.8	-66.5	-179.7	-175.3	173.9	0	113.2	L183 A184 M223	L183-K225 WeakPolarHBondContact O-CB 3.4Å; A184-K225 HydrophobicContact CB-CB 4.26Å; M223-K225 PolarHBondContact O-N 2.84Å
226	F	96	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140	-176.7	-158.2	-92.7	0	0	0	110.8	M156 L166 F169 I187 V219 M223 R274	M156-F226 HydrophobicContact CE-CE2 4.48Å; M156-F226 HydrophobicContact CE-CZ 3.9Å; L166-F226 HydrophobicContact CD1-CE1 4.04Å; L166-F226 HydrophobicContact CD1-CZ 4.02Å; F169-F226 HydrophobicContact CD1-CE2 4.4Å; F169-F226 HydrophobicContact CE1-CD2 4.45Å; F169-F226 AromaticContact CE1-CE2 3.73Å; F169-F226 HydrophobicContact CE1-CE2 3.73Å; F169-F226 HydrophobicContact CE1-CZ 4.43Å; F169-F226 HydrophobicContact CZ-CE2 4.34Å; I187-F226 HydrophobicContact CB-CE1 3.82Å; I187-F226 HydrophobicContact CB-CZ 4.2Å; I187-F226 HydrophobicContact CG2-CE1 3.74Å; V219-F226 HydrophobicContact CG1-CB 4.15Å; V219-F226 HydrophobicContact CG1-CD1 4.39Å; M223-F226 HydrophobicContact CB-CB 3.93Å; M223-F226 HydrophobicContact CE-CB 3.89Å; M223-F226 HydrophobicContact CE-CD1 4.1Å; M223-F226 HydrophobicContact CE-CD2 3.69Å; M223-F226 HydrophobicContact CE-CE2 4.22Å; M223-F226 HydrophobicContact CE-CG 3.63Å; M223-F226 WeakPolarHBondContact O-CB 3.35Å; M223-F226 PolarHBondContact O-N 3.16Å; F226-R274 WeakPolarHBondContact O-CD 3.47Å
227	N	95.1	Very high	96.7	Very high	23 Å²	23	28.1 Å²	28.1	12%	0.123	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.7	173.9	-54.2	-63.6	0	0	0	108.3	G185 T186 I187 I229 R274 R318	G185-N227 PolarHBondContact O-N 2.92Å; G185-N227 PolarHBondContact O-ND2 3.27Å; G185-N227 VanDerWaalsContact O-ND2 3.11Å; T186-N227 WeakPolarHBondContact CA-O 3.41Å; T186-N227 HydrophobicContact CG2-CB 4Å; T186-N227 PolarHBondContact OG1-ND2 3.21Å; I187-N227 PolarHBondContact N-O 2.8Å; I187-N227 VanDerWaalsContact N-O 3.16Å; N227-I229 PolarHBondContact O-N 2.94Å; N227-R274 WeakPolarHBondContact CA-O 3.47Å; N227-R274 VanDerWaalsContact CB-O 3.26Å; N227-R274 WeakPolarHBondContact CB-O 3.42Å; N227-R274 PolarHBondContact OD1-O 3.12Å; N227-R318 PolarHBondContact OD1-NH2 3.16Å
228	S	95.6	Very high	96.8	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.021	14%	0.139	C	C	.	.			trans	-78	-5.4	-172.3	54.6	0	0	0	0	114.5	I187 N189 F216	I187-S228 WeakPolarHBondContact CG2-O 3.42Å; N189-S228 WeakPolarHBondContact CB-O 3.43Å; N189-S228 PolarHBondContact ND2-O 3.16Å; F216-S228 VanDerWaalsContact CD1-OG 3.3Å; F216-S228 WeakPolarHBondContact CD1-OG 3.34Å; F216-S228 WeakPolarHBondContact CE1-OG 3.5Å
229	I	98.3	Very high	96.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	147.5	177.5	-168	165	0	0	0	110.9	I187 Q188 N189 D190 F216 N227 I231 Y257 L275 S276	I187-I229 CarbonylContact O-C 3.37Å; I187-I229 WeakPolarHBondContact O-CA 3.31Å; Q188-I229 WeakPolarHBondContact O-CA 3.46Å; Q188-I229 WeakPolarHBondContact O-CG1 3.42Å; N189-I229 HydrophobicContact CB-CG1 4.49Å; N189-I229 VanDerWaalsContact O-CD1 3.27Å; N189-I229 WeakPolarHBondContact O-CD1 3.46Å; N189-I229 WeakPolarHBondContact O-CG1 3.49Å; D190-I229 HydrophobicContact CB-CG1 4.48Å; F216-I229 HydrophobicContact CE1-CB 3.9Å; F216-I229 HydrophobicContact CE1-CD1 4.42Å; F216-I229 HydrophobicContact CE1-CG2 3.93Å; F216-I229 HydrophobicContact CZ-CB 4.08Å; F216-I229 HydrophobicContact CZ-CD1 3.96Å; F216-I229 HydrophobicContact CZ-CG2 3.81Å; N227-I229 PolarHBondContact O-N 2.94Å; I229-I231 HydrophobicContact CD1-CG1 4.27Å; I229-I231 HydrophobicContact CG1-CG1 4.17Å; I229-I231 HydrophobicContact CG2-CG1 4.28Å; I229-Y257 HydrophobicContact CD1-CD1 3.77Å; I229-Y257 HydrophobicContact CD1-CD2 3.47Å; I229-Y257 VanDerWaalsContact CD1-CD2 3.47Å; I229-Y257 HydrophobicContact CD1-CE1 3.93Å; I229-Y257 HydrophobicContact CD1-CE2 3.6Å; I229-Y257 HydrophobicContact CD1-CG 3.56Å; I229-L275 HydrophobicContact CG2-CD2 3.2Å; I229-L275 HydrophobicContact CG2-CG 4.46Å; I229-S276 PolarHBondContact O-N 3.09Å; I229-S276 PolarHBondContact O-OG 3.18Å
230	S	98.1	Very high	96.9	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.07	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	98.1	167.4	-172.5	0	0	0	0	108.8	I187 Q188 S232 S276 F278	I187-S230 PolarHBondContact O-N 2.94Å; Q188-S230 PolarHBondContact O-N 3.44Å; S230-S232 PolarHBondContact O-N 2.84Å; S230-S232 PolarHBondContact O-OG 2.91Å; S230-S276 CarbonylContact C-O 3.55Å; S230-S276 WeakPolarHBondContact CA-O 3.46Å; S230-F278 WeakPolarHBondContact OG-CB 3.36Å
231	I	98.7	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	113.1	-175.6	-53.9	158	0	0	0	108.7	D190 I229 T250 D253 Y257 L275 S276 F277 F278 W299	D190-I231 WeakPolarHBondContact OD2-CA 3.38Å; I229-I231 HydrophobicContact CD1-CG1 4.27Å; I229-I231 HydrophobicContact CG1-CG1 4.17Å; I229-I231 HydrophobicContact CG2-CG1 4.28Å; I231-T250 HydrophobicContact CG2-CG2 3.88Å; I231-T250 WeakPolarHBondContact CG2-O 3.31Å; I231-D253 HydrophobicContact CG2-CB 4.1Å; I231-Y257 HydrophobicContact CG1-CD2 3.99Å; I231-Y257 HydrophobicContact CG1-CE2 4.49Å; I231-Y257 HydrophobicContact CG2-CD2 4.4Å; I231-Y257 HydrophobicContact CG2-CE2 4.47Å; I231-L275 HydrophobicContact CD1-CB 4.31Å; I231-S276 PolarHBondContact N-O 3.3Å; I231-F277 HydrophobicContact CB-CD1 3.82Å; I231-F277 HydrophobicContact CB-CE1 3.82Å; I231-F277 HydrophobicContact CB-CG 4.34Å; I231-F277 HydrophobicContact CB-CZ 4.36Å; I231-F277 HydrophobicContact CD1-CD2 4.48Å; I231-F277 HydrophobicContact CD1-CE1 3.9Å; I231-F277 HydrophobicContact CD1-CE2 3.89Å; I231-F277 HydrophobicContact CD1-CZ 3.56Å; I231-F277 HydrophobicContact CG1-CE1 4.49Å; I231-F277 HydrophobicContact CG2-CD1 4.06Å; I231-F277 HydrophobicContact CG2-CE1 3.78Å; I231-F277 CarbonylContact O-C 3.53Å; I231-F277 WeakPolarHBondContact O-CA 3.48Å; I231-F278 PolarHBondContact O-N 3.11Å; I231-W299 HydrophobicContact CD1-CH2 4.46Å
232	S	98.6	Very high	97.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	108.4	-152.5	-65.4	0	0	0	0	114.1	D190 S230 F278	D190-S232 PolarHBondContact OD2-N 3.29Å; S230-S232 PolarHBondContact O-N 2.84Å; S230-S232 PolarHBondContact O-OG 2.91Å; S232-F278 CarbonylContact C-O 3.23Å; S232-F278 WeakPolarHBondContact CA-O 3.43Å
233	G	98.7	Very high	97.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.			trans	-84.2	-24.3	167.4	0	0	0	0	0	115	H235 M236 Q237 E246 T250 F278	G233-H235 VanDerWaalsContact C-N 3.33Å; G233-H235 PolarHBondContact O-N 3.03Å; G233-H235 VanDerWaalsContact O-N 3.17Å; G233-M236 WeakPolarHBondContact O-CA 3.3Å; G233-M236 VanDerWaalsContact O-CB 3.31Å; G233-M236 WeakPolarHBondContact O-CB 3.44Å; G233-M236 PolarHBondContact O-N 3.38Å; G233-Q237 PolarHBondContact O-N 2.96Å; G233-Q237 VanDerWaalsContact O-N 3.12Å; G233-E246 WeakPolarHBondContact O-CG 3.34Å; G233-T250 WeakPolarHBondContact CA-OG1 3.43Å; G233-T250 PolarHBondContact N-OG1 3.1Å; G233-F278 PolarHBondContact N-O 2.95Å
234	Y	98.5	Very high	97.5	Very high	27 Å²	27	18 Å²	18	11%	0.106	10%	0.096	C	C	.	.	H	α-helix	trans	-44.4	-55.2	-178.4	171.6	-98.8	0	0	0	112.8	M236 Q237 E238 F278 Q322	Y234-M236 PolarHBondContact O-N 2.94Å; Y234-Q237 WeakPolarHBondContact O-CB 3.45Å; Y234-Q237 PolarHBondContact O-N 3.38Å; Y234-Q237 VanDerWaalsContact O-N 3.11Å; Y234-E238 HydrophobicContact CD1-CG 4.07Å; Y234-E238 HydrophobicContact CD2-CG 4.26Å; Y234-E238 HydrophobicContact CE1-CG 3.62Å; Y234-E238 HydrophobicContact CE2-CG 3.84Å; Y234-E238 HydrophobicContact CG-CG 4.36Å; Y234-E238 VanDerWaalsContact CZ-CG 3.49Å; Y234-E238 WeakPolarHBondContact O-CG 3.32Å; Y234-E238 PolarHBondContact O-N 3.28Å; Y234-F278 VanDerWaalsContact CB-CZ 3.43Å; Y234-F278 AromaticContact CD1-CE1 3.81Å; Y234-F278 HydrophobicContact CD1-CE1 3.81Å; Y234-F278 AromaticContact CD1-CZ 3.65Å; Y234-F278 HydrophobicContact CD1-CZ 3.65Å; Y234-F278 HydrophobicContact CD2-CE2 4.05Å; Y234-F278 AromaticContact CD2-CZ 3.83Å; Y234-F278 HydrophobicContact CD2-CZ 3.83Å; Y234-F278 HydrophobicContact CE1-CZ 4.39Å; Y234-F278 AromaticContact CG-CE1 3.78Å; Y234-F278 HydrophobicContact CG-CE1 3.78Å; Y234-F278 AromaticContact CG-CE2 3.84Å; Y234-F278 HydrophobicContact CG-CE2 3.84Å; Y234-F278 AromaticContact CG-CZ 3.34Å; Y234-F278 HydrophobicContact CG-CZ 3.34Å; Y234-F278 PolarHBondContact N-O 3.26Å; Y234-Q322 HydrophobicContact CD2-CB 3.78Å; Y234-Q322 HydrophobicContact CD2-CG 4.23Å; Y234-Q322 HydrophobicContact CE2-CB 3.7Å; Y234-Q322 HydrophobicContact CE2-CG 3.61Å; Y234-Q322 PolarHBondContact OH-NE2 3.14Å
235	H	97.9	Very high	97.8	Very high	21 Å²	21	15.4 Å²	15.4	10%	0.097	8%	0.079	C	C	.	.	H	α-helix	trans	-65	-27.9	-176.9	-40.4	88.3	0	0	0	113.1	Q188 K193 V197 R198 G233 A239 F278	Q188-H235 PolarHBondContact NE2-CE1 3.49Å; Q188-H235 VanDerWaalsContact NE2-CE1 3.3Å; K193-H235 HydrophobicContact CD-CB 4.27Å; K193-H235 VanDerWaalsContact CE-CE1 3.4Å; K193-H235 WeakPolarHBondContact CE-CE1 3.49Å; K193-H235 VanDerWaalsContact CE-ND1 3.27Å; K193-H235 WeakPolarHBondContact CE-ND1 3.42Å; V197-H235 HydrophobicContact CG2-CB 3.87Å; R198-H235 HydrophobicContact CB-CB 4.36Å; R198-H235 WeakPolarHBondContact CD-CD2 3.45Å; G233-H235 VanDerWaalsContact C-N 3.33Å; G233-H235 PolarHBondContact O-N 3.03Å; G233-H235 VanDerWaalsContact O-N 3.17Å; H235-A239 VanDerWaalsContact O-CB 3.32Å; H235-A239 WeakPolarHBondContact O-CB 3.35Å; H235-A239 PolarHBondContact O-N 3.23Å; H235-F278 AromaticContact CE1-CD1 3.91Å; H235-F278 AromaticContact CE1-CE1 3.79Å
236	M	98.7	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.5	-44.2	175.7	-55.1	179.4	-167.7	0	0	110	K193 M196 V197 G233 Y234 A239 G240 A241 F249 D253 I438	K193-M236 HydrophobicContact CB-CE 3.71Å; M196-M236 HydrophobicContact CE-CE 3.4Å; M196-M236 VanDerWaalsContact CE-CE 3.4Å; M196-M236 HydrophobicContact CE-SD 4.49Å; M196-M236 HydrophobicContact SD-CE 4.19Å; V197-M236 HydrophobicContact CG2-CG 4.08Å; G233-M236 WeakPolarHBondContact O-CA 3.3Å; G233-M236 VanDerWaalsContact O-CB 3.31Å; G233-M236 WeakPolarHBondContact O-CB 3.44Å; G233-M236 PolarHBondContact O-N 3.38Å; Y234-M236 PolarHBondContact O-N 2.94Å; M236-A239 PolarHBondContact O-N 3.27Å; M236-G240 PolarHBondContact O-N 3.38Å; M236-G240 VanDerWaalsContact O-N 3.13Å; M236-A241 VanDerWaalsContact C-CB 3.46Å; M236-A241 HydrophobicContact CB-CB 3.96Å; M236-A241 WeakPolarHBondContact O-CB 3.33Å; M236-A241 PolarHBondContact O-N 3.47Å; M236-F249 HydrophobicContact CE-CB 4.16Å; M236-F249 HydrophobicContact SD-CB 3.54Å; M236-F249 VanDerWaalsContact SD-CB 3.54Å; M236-F249 HydrophobicContact SD-CD2 4.39Å; M236-F249 HydrophobicContact SD-CG 4.48Å; M236-D253 VanDerWaalsContact CE-OD2 3.25Å; M236-D253 WeakPolarHBondContact CE-OD2 3.35Å; M236-I438 HydrophobicContact CB-CD1 4.08Å; M236-I438 HydrophobicContact CG-CD1 4.29Å
237	Q	98.7	Very high	98.1	Very high	25 Å²	25	10 Å²	10	12%	0.117	6%	0.055	C	C	.	.	H	α-helix	trans	-61.5	-45	173.9	178.6	170.5	5.3	0	0	111.6	G233 Y234 A239 G240 E246 G280 E288	G233-Q237 PolarHBondContact O-N 2.96Å; G233-Q237 VanDerWaalsContact O-N 3.12Å; Y234-Q237 WeakPolarHBondContact O-CB 3.45Å; Y234-Q237 PolarHBondContact O-N 3.38Å; Y234-Q237 VanDerWaalsContact O-N 3.11Å; Q237-A239 PolarHBondContact O-N 3.04Å; Q237-G240 WeakPolarHBondContact O-CA 3.38Å; Q237-G240 PolarHBondContact O-N 3.01Å; Q237-E246 PolarHBondContact OE1-OE2 3.32Å; Q237-G280 PolarHBondContact OE1-O 3.23Å; Q237-E288 PolarHBondContact NE2-OE1 2.76Å
238	E	97.3	Very high	98.3	Very high	33 Å²	33	8.9 Å²	8.9	15%	0.154	5%	0.049	C	C	.	.	H	α-helix	trans	-61.2	-34.7	177	-63.9	-56.5	98.8	0	0	112.1	Y234 G240 S324 G325 W326 R600	Y234-E238 HydrophobicContact CD1-CG 4.07Å; Y234-E238 HydrophobicContact CD2-CG 4.26Å; Y234-E238 HydrophobicContact CE1-CG 3.62Å; Y234-E238 HydrophobicContact CE2-CG 3.84Å; Y234-E238 HydrophobicContact CG-CG 4.36Å; Y234-E238 VanDerWaalsContact CZ-CG 3.49Å; Y234-E238 WeakPolarHBondContact O-CG 3.32Å; Y234-E238 PolarHBondContact O-N 3.28Å; E238-G240 VanDerWaalsContact C-N 3.27Å; E238-G240 PolarHBondContact O-N 2.89Å; E238-S324 WeakPolarHBondContact OE1-CA 3.15Å; E238-S324 WeakPolarHBondContact OE1-CB 3.46Å; E238-S324 PolarHBondContact OE1-OG 2.85Å; E238-G325 VanDerWaalsContact OE2-CA 3.26Å; E238-G325 WeakPolarHBondContact OE2-CA 3.48Å; E238-G325 PolarHBondContact OE2-N 3.48Å; E238-W326 PolarHBondContact OE2-N 3.46Å; E238-R600 VanDerWaalsContact O-CD 3.22Å; E238-R600 WeakPolarHBondContact O-CD 3.39Å; E238-R600 PolarHBondContact O-NH1 3.08Å
239	A	97.8	Very high	98.4	Very high	13 Å²	13	8.8 Å²	8.8	11%	0.107	5%	0.048	C	C	.	.	H	α-helix	trans	-76	-9.6	173.9	0	0	0	0	0	114.3	V197 H235 M236 Q237 I438 A442 R600	V197-A239 HydrophobicContact CB-CB 3.64Å; V197-A239 HydrophobicContact CG1-CB 3.49Å; V197-A239 VanDerWaalsContact CG1-CB 3.49Å; H235-A239 VanDerWaalsContact O-CB 3.32Å; H235-A239 WeakPolarHBondContact O-CB 3.35Å; H235-A239 PolarHBondContact O-N 3.23Å; M236-A239 PolarHBondContact O-N 3.27Å; Q237-A239 PolarHBondContact O-N 3.04Å; A239-I438 HydrophobicContact CB-CG2 3.81Å; A239-A442 WeakPolarHBondContact O-CB 3.32Å; A239-R600 WeakPolarHBondContact O-CD 3.34Å
240	G	97.7	Very high	98.5	Very high	7 Å²	7	8.8 Å²	8.8	7%	0.072	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	118	5.5	172.2	0	0	0	0	0	115.6	M236 Q237 E238 D242 A441	M236-G240 PolarHBondContact O-N 3.38Å; M236-G240 VanDerWaalsContact O-N 3.13Å; Q237-G240 WeakPolarHBondContact O-CA 3.38Å; Q237-G240 PolarHBondContact O-N 3.01Å; E238-G240 VanDerWaalsContact C-N 3.27Å; E238-G240 PolarHBondContact O-N 2.89Å; G240-D242 PolarHBondContact O-N 3.08Å; G240-A441 VanDerWaalsContact O-CB 3.23Å; G240-A441 WeakPolarHBondContact O-CB 3.15Å
241	A	98.7	Very high	98.5	Very high	7 Å²	7	8.3 Å²	8.3	6%	0.058	5%	0.045	C	C	.	.			trans	-60	132.8	173.3	0	0	0	0	0	110.2	M236 L245 E246 I438	M236-A241 VanDerWaalsContact C-CB 3.46Å; M236-A241 HydrophobicContact CB-CB 3.96Å; M236-A241 WeakPolarHBondContact O-CB 3.33Å; M236-A241 PolarHBondContact O-N 3.47Å; A241-L245 HydrophobicContact CB-CB 3.97Å; A241-E246 HydrophobicContact CB-CB 4.37Å; A241-I438 HydrophobicContact CB-CD1 4.43Å; A241-I438 HydrophobicContact CB-CG1 4Å; A241-I438 HydrophobicContact CB-CG2 4.37Å
242	D	98.5	Very high	98.5	Very high	28 Å²	28	8.4 Å²	8.4	15%	0.15	5%	0.046	C	C	.	.			trans	-69.9	171.2	164.6	64.1	60.5	0	0	0	111.1	A34 E35 G240 A244 L245 E246	A34-D242 HydrophobicContact CB-CB 4.26Å; E35-D242 HydrophobicContact CG-CB 4.08Å; G240-D242 PolarHBondContact O-N 3.08Å; D242-A244 PolarHBondContact O-N 3.2Å; D242-A244 WeakPolarHBondContact OD1-CA 3.24Å; D242-A244 WeakPolarHBondContact OD1-CB 3.49Å; D242-A244 PolarHBondContact OD1-N 3.46Å; D242-L245 PolarHBondContact O-N 3.46Å; D242-L245 PolarHBondContact OD1-N 2.97Å; D242-L245 WeakPolarHBondContact OD2-CD1 3.5Å; D242-E246 WeakPolarHBondContact O-CB 3.37Å; D242-E246 PolarHBondContact O-N 2.63Å
243	A	98.7	Very high	98.5	Very high	4 Å²	4	8.4 Å²	8.4	3%	0.033	5%	0.046	C	C	.	.	H	α-helix	trans	-63.3	-26.7	-175.8	0	0	0	0	0	113.5	E35 L247 M287 K291	E35-A243 HydrophobicContact CG-CB 3.87Å; E35-A243 WeakPolarHBondContact OE1-CB 3.26Å; E35-A243 PolarHBondContact OE1-N 3.27Å; E35-A243 VanDerWaalsContact OE1-N 3.16Å; A243-L247 WeakPolarHBondContact O-CB 3.34Å; A243-L247 PolarHBondContact O-N 3.15Å; A243-L247 VanDerWaalsContact O-N 3.12Å; A243-M287 HydrophobicContact CB-CG 3.59Å; A243-M287 HydrophobicContact CB-SD 4.41Å; A243-K291 HydrophobicContact CB-CD 3.88Å; A243-K291 HydrophobicContact CB-CG 4.43Å
244	A	98.5	Very high	98.5	Very high	2 Å²	2	8.4 Å²	8.4	2%	0.017	5%	0.046	C	C	.	.	H	α-helix	trans	-76.6	-42.7	178.2	0	0	0	0	0	111.4	E35 D242 A248 L408 V411 I415	E35-A244 HydrophobicContact CB-CB 4.16Å; E35-A244 HydrophobicContact CG-CB 4.23Å; D242-A244 PolarHBondContact O-N 3.2Å; D242-A244 WeakPolarHBondContact OD1-CA 3.24Å; D242-A244 WeakPolarHBondContact OD1-CB 3.49Å; D242-A244 PolarHBondContact OD1-N 3.46Å; A244-A248 VanDerWaalsContact O-CB 3.31Å; A244-A248 WeakPolarHBondContact O-CB 3.37Å; A244-A248 PolarHBondContact O-N 3.31Å; A244-L408 HydrophobicContact CB-CD1 3.84Å; A244-V411 HydrophobicContact CB-CB 4.42Å; A244-V411 HydrophobicContact CB-CG1 3.7Å; A244-I415 HydrophobicContact CB-CD1 4.36Å
245	L	98.7	Very high	98.5	Very high	7 Å²	7	7.2 Å²	7.2	4%	0.037	4%	0.041	C	C	.	.	H	α-helix	trans	-63.4	-49.9	174.3	-69	178.8	0	0	0	111.4	A241 D242 L247 A248 F249 I415 R437 A441	A241-L245 HydrophobicContact CB-CB 3.97Å; D242-L245 PolarHBondContact O-N 3.46Å; D242-L245 PolarHBondContact OD1-N 2.97Å; D242-L245 WeakPolarHBondContact OD2-CD1 3.5Å; L245-L247 VanDerWaalsContact C-N 3.31Å; L245-L247 PolarHBondContact O-N 2.99Å; L245-A248 PolarHBondContact O-N 3.13Å; L245-F249 HydrophobicContact CB-CD2 4.21Å; L245-F249 HydrophobicContact CB-CE2 3.97Å; L245-F249 HydrophobicContact CD2-CE2 3.8Å; L245-F249 HydrophobicContact CD2-CZ 3.72Å; L245-F249 HydrophobicContact CG-CE2 4.34Å; L245-F249 WeakPolarHBondContact O-CB 3.26Å; L245-F249 WeakPolarHBondContact O-CD2 3.43Å; L245-F249 VanDerWaalsContact O-CG 3.3Å; L245-F249 WeakPolarHBondContact O-CG 3.47Å; L245-F249 PolarHBondContact O-N 3.35Å; L245-I415 HydrophobicContact CD2-CD1 4.16Å; L245-R437 HydrophobicContact CD1-CB 4.42Å; L245-R437 HydrophobicContact CD2-CB 4.33Å; L245-A441 HydrophobicContact CD1-CB 4Å
246	E	98.9	Very high	98.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-56.3	-47.7	177.1	-178.6	-172.8	177.4	0	0	110.8	G233 Q237 A241 D242 T250 F279 G280 K291	G233-E246 WeakPolarHBondContact O-CG 3.34Å; Q237-E246 PolarHBondContact OE1-OE2 3.32Å; A241-E246 HydrophobicContact CB-CB 4.37Å; D242-E246 WeakPolarHBondContact O-CB 3.37Å; D242-E246 PolarHBondContact O-N 2.63Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 PolarHBondContact O-N 3.49Å; E246-T250 PolarHBondContact O-OG1 3.22Å; E246-F279 HydrophobicContact CG-CD1 4.14Å; E246-F279 WeakPolarHBondContact OE1-CD1 3.5Å; E246-G280 PolarHBondContact OE1-N 3.25Å; E246-K291 VanDerWaalsContact CD-NZ 3.27Å; E246-K291 IonicContact OE1-NZ 3.55Å; E246-K291 PolarHBondContact OE1-NZ 3.22Å; E246-K291 WeakPolarHBondContact OE2-CE 3.35Å; E246-K291 IonicContact OE2-NZ 2.84Å; E246-K291 PolarHBondContact OE2-NZ 2.95Å
247	L	98.7	Very high	98.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.2	-51.4	179	177.4	58.5	0	0	0	111.8	A243 L245 L251 K291 A294 A295 L298 L408 A412	A243-L247 WeakPolarHBondContact O-CB 3.34Å; A243-L247 PolarHBondContact O-N 3.15Å; A243-L247 VanDerWaalsContact O-N 3.12Å; L245-L247 VanDerWaalsContact C-N 3.31Å; L245-L247 PolarHBondContact O-N 2.99Å; L247-L251 HydrophobicContact CD1-CD1 3.7Å; L247-L251 HydrophobicContact CD1-CG 4.15Å; L247-L251 HydrophobicContact CG-CD1 4.3Å; L247-L251 WeakPolarHBondContact O-CB 3.42Å; L247-L251 WeakPolarHBondContact O-CG 3.3Å; L247-L251 PolarHBondContact O-N 3.39Å; L247-L251 VanDerWaalsContact O-N 3.16Å; L247-K291 HydrophobicContact CB-CG 4.38Å; L247-A294 HydrophobicContact CD2-CB 3.79Å; L247-A295 VanDerWaalsContact CD1-CA 3.47Å; L247-A295 HydrophobicContact CD1-CB 3.55Å; L247-L298 HydrophobicContact CD1-CD1 4.28Å; L247-L298 HydrophobicContact CD2-CD1 3.79Å; L247-L298 HydrophobicContact CG-CD1 3.99Å; L247-L408 HydrophobicContact CD2-CD2 4.07Å; L247-L408 HydrophobicContact CD2-CG 3.86Å; L247-A412 HydrophobicContact CB-CB 4.26Å; L247-A412 HydrophobicContact CD2-CB 3.62Å; L247-A412 HydrophobicContact CG-CB 3.78Å
248	A	98.7	Very high	98.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.6	-48.2	-175.5	0	0	0	0	0	112.4	A244 L245 L251 A252 A412 I415 M416	A244-A248 VanDerWaalsContact O-CB 3.31Å; A244-A248 WeakPolarHBondContact O-CB 3.37Å; A244-A248 PolarHBondContact O-N 3.31Å; L245-A248 PolarHBondContact O-N 3.13Å; A248-L251 PolarHBondContact O-N 3.33Å; A248-A252 VanDerWaalsContact O-CB 3.29Å; A248-A252 WeakPolarHBondContact O-CB 3.47Å; A248-A252 PolarHBondContact O-N 3.15Å; A248-A412 HydrophobicContact CB-CB 4.15Å; A248-I415 HydrophobicContact CB-CB 3.59Å; A248-I415 HydrophobicContact CB-CD1 4.13Å; A248-I415 HydrophobicContact CB-CG1 4.48Å; A248-I415 HydrophobicContact CB-CG2 3.5Å; A248-I415 VanDerWaalsContact CB-CG2 3.5Å; A248-M416 HydrophobicContact CB-CG 4.01Å
249	F	98.9	Very high	98.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-66.2	-42.2	-178.4	-64.2	-26.8	0	0	0	111.9	M236 L245 L251 A252 D253 I415 I419 M425 P434 R437 I438	M236-F249 HydrophobicContact CE-CB 4.16Å; M236-F249 HydrophobicContact SD-CB 3.54Å; M236-F249 VanDerWaalsContact SD-CB 3.54Å; M236-F249 HydrophobicContact SD-CD2 4.39Å; M236-F249 HydrophobicContact SD-CG 4.48Å; L245-F249 HydrophobicContact CB-CD2 4.21Å; L245-F249 HydrophobicContact CB-CE2 3.97Å; L245-F249 HydrophobicContact CD2-CE2 3.8Å; L245-F249 HydrophobicContact CD2-CZ 3.72Å; L245-F249 HydrophobicContact CG-CE2 4.34Å; L245-F249 WeakPolarHBondContact O-CB 3.26Å; L245-F249 WeakPolarHBondContact O-CD2 3.43Å; L245-F249 VanDerWaalsContact O-CG 3.3Å; L245-F249 WeakPolarHBondContact O-CG 3.47Å; L245-F249 PolarHBondContact O-N 3.35Å; F249-L251 PolarHBondContact O-N 3.15Å; F249-A252 PolarHBondContact O-N 2.61Å; F249-D253 WeakPolarHBondContact O-CB 3.22Å; F249-D253 PolarHBondContact O-N 3.09Å; F249-I415 HydrophobicContact CD1-CG2 4.3Å; F249-I415 HydrophobicContact CE1-CG2 3.81Å; F249-I419 HydrophobicContact CD1-CD1 3.63Å; F249-I419 HydrophobicContact CE1-CD1 3.89Å; F249-M425 HydrophobicContact CB-CE 3.74Å; F249-M425 HydrophobicContact CD1-CE 3.77Å; F249-M425 HydrophobicContact CD1-SD 4.44Å; F249-M425 HydrophobicContact CG-CE 3.9Å; F249-P434 HydrophobicContact CD1-CB 4.36Å; F249-P434 HydrophobicContact CD2-CB 4.29Å; F249-P434 HydrophobicContact CE1-CB 4.1Å; F249-P434 HydrophobicContact CE1-CG 4.39Å; F249-P434 HydrophobicContact CE2-CB 4.01Å; F249-P434 HydrophobicContact CG-CB 4.46Å; F249-P434 HydrophobicContact CZ-CB 3.92Å; F249-R437 HydrophobicContact CZ-CB 4.34Å; F249-I438 HydrophobicContact CD2-CD1 4.03Å; F249-I438 HydrophobicContact CD2-CG1 4.23Å; F249-I438 HydrophobicContact CE2-CD1 4.15Å; F249-I438 HydrophobicContact CE2-CG1 3.91Å
250	T	98.9	Very high	98.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.9	-42.7	177.7	-54.4	0	0	0	0	111.8	I231 G233 E246 G254 F277 F279	I231-T250 HydrophobicContact CG2-CG2 3.88Å; I231-T250 WeakPolarHBondContact CG2-O 3.31Å; G233-T250 WeakPolarHBondContact CA-OG1 3.43Å; G233-T250 PolarHBondContact N-OG1 3.1Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 PolarHBondContact O-N 3.49Å; E246-T250 PolarHBondContact O-OG1 3.22Å; T250-G254 PolarHBondContact O-N 2.7Å; T250-F277 HydrophobicContact CG2-CD1 3.79Å; T250-F277 HydrophobicContact CG2-CE1 4.19Å; T250-F279 HydrophobicContact CG2-CE1 3.96Å; T250-F279 HydrophobicContact CG2-CZ 4.05Å
251	L	98.8	Very high	98.3	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-69.6	-39.5	178.2	-66.4	-178.5	0	0	0	111.5	L247 A248 F249 G254 I255 F277 L298 W299 L317 M416	L247-L251 HydrophobicContact CD1-CD1 3.7Å; L247-L251 HydrophobicContact CD1-CG 4.15Å; L247-L251 HydrophobicContact CG-CD1 4.3Å; L247-L251 WeakPolarHBondContact O-CB 3.42Å; L247-L251 WeakPolarHBondContact O-CG 3.3Å; L247-L251 PolarHBondContact O-N 3.39Å; L247-L251 VanDerWaalsContact O-N 3.16Å; A248-L251 PolarHBondContact O-N 3.33Å; F249-L251 PolarHBondContact O-N 3.15Å; L251-G254 WeakPolarHBondContact O-CA 3.45Å; L251-G254 PolarHBondContact O-N 2.95Å; L251-G254 VanDerWaalsContact O-N 3.14Å; L251-I255 WeakPolarHBondContact O-CG1 3.39Å; L251-I255 PolarHBondContact O-N 3.44Å; L251-F277 HydrophobicContact CD2-CE1 3.88Å; L251-F277 HydrophobicContact CD2-CZ 4.32Å; L251-L298 HydrophobicContact CD1-CB 3.4Å; L251-L298 HydrophobicContact CD1-CD1 3.74Å; L251-L298 HydrophobicContact CD1-CG 4.22Å; L251-W299 HydrophobicContact CD2-CB 3.93Å; L251-W299 HydrophobicContact CD2-CE3 4.03Å; L251-L317 HydrophobicContact CD2-CD1 3.83Å; L251-M416 HydrophobicContact CB-CE 3.68Å; L251-M416 HydrophobicContact CB-SD 3.87Å; L251-M416 HydrophobicContact CD1-SD 4.04Å
252	A	98.7	Very high	98.2	Very high	2 Å²	2	11 Å²	11	2%	0.017	6%	0.057	C	C	.	.	H	α-helix	trans	-63.2	-41.4	175.9	0	0	0	0	0	112.3	A248 F249 G254 I255 E256 I419 M425	A248-A252 VanDerWaalsContact O-CB 3.29Å; A248-A252 WeakPolarHBondContact O-CB 3.47Å; A248-A252 PolarHBondContact O-N 3.15Å; F249-A252 PolarHBondContact O-N 2.61Å; A252-G254 VanDerWaalsContact C-N 3.3Å; A252-G254 PolarHBondContact O-N 3.15Å; A252-I255 PolarHBondContact O-N 3.03Å; A252-E256 PolarHBondContact O-N 3.24Å; A252-I419 HydrophobicContact CB-CD1 3.8Å; A252-I419 HydrophobicContact CB-CG2 4.09Å; A252-M425 HydrophobicContact CB-CB 4.08Å; A252-M425 HydrophobicContact CB-CG 4.03Å; A252-M425 HydrophobicContact CB-SD 4Å
253	D	98.7	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-55.6	-48	169.6	-80.5	-10.1	0	0	0	110.3	L192 M196 I231 M236 F249 I255 E256 Y257 M425	L192-D253 VanDerWaalsContact CB-OD1 3.28Å; L192-D253 WeakPolarHBondContact CB-OD1 3.41Å; L192-D253 HydrophobicContact CD1-CB 4.14Å; L192-D253 WeakPolarHBondContact CD1-OD1 3.5Å; M196-D253 WeakPolarHBondContact CE-OD1 3.48Å; M196-D253 WeakPolarHBondContact CE-OD2 3.35Å; I231-D253 HydrophobicContact CG2-CB 4.1Å; M236-D253 VanDerWaalsContact CE-OD2 3.25Å; M236-D253 WeakPolarHBondContact CE-OD2 3.35Å; F249-D253 WeakPolarHBondContact O-CB 3.22Å; F249-D253 PolarHBondContact O-N 3.09Å; D253-I255 VanDerWaalsContact C-N 3.33Å; D253-I255 PolarHBondContact O-N 2.92Å; D253-E256 WeakPolarHBondContact O-CB 3.38Å; D253-E256 PolarHBondContact O-N 3.25Å; D253-E256 VanDerWaalsContact O-N 3.1Å; D253-Y257 HydrophobicContact CB-CD2 4.34Å; D253-Y257 HydrophobicContact CB-CE2 3.95Å; D253-Y257 WeakPolarHBondContact O-CD2 3.44Å; D253-Y257 PolarHBondContact O-N 2.89Å; D253-M425 WeakPolarHBondContact OD1-CG 3.44Å
254	G	98.5	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.1	-40.8	177.7	0	0	0	0	0	114.1	T250 L251 A252 Y257 I258	T250-G254 PolarHBondContact O-N 2.7Å; L251-G254 WeakPolarHBondContact O-CA 3.45Å; L251-G254 PolarHBondContact O-N 2.95Å; L251-G254 VanDerWaalsContact O-N 3.14Å; A252-G254 VanDerWaalsContact C-N 3.3Å; A252-G254 PolarHBondContact O-N 3.15Å; G254-Y257 PolarHBondContact O-N 3.28Å; G254-I258 PolarHBondContact O-N 3.16Å
255	I	98.4	Very high	97.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175	-63.5	-54.8	0	0	0	110.6	L251 A252 D253 Y257 I258 R259 W299 W302 V303 L306 F307	L251-I255 WeakPolarHBondContact O-CG1 3.39Å; L251-I255 PolarHBondContact O-N 3.44Å; A252-I255 PolarHBondContact O-N 3.03Å; D253-I255 VanDerWaalsContact C-N 3.33Å; D253-I255 PolarHBondContact O-N 2.92Å; I255-Y257 VanDerWaalsContact C-N 3.32Å; I255-Y257 PolarHBondContact O-N 3.14Å; I255-I258 PolarHBondContact O-N 2.72Å; I255-R259 WeakPolarHBondContact O-CG 2.98Å; I255-R259 PolarHBondContact O-N 3.1Å; I255-W299 HydrophobicContact CD1-CE3 4.33Å; I255-W299 HydrophobicContact CD1-CZ3 3.91Å; I255-W299 HydrophobicContact CG1-CZ3 4.46Å; I255-W302 HydrophobicContact CD1-CB 4.05Å; I255-V303 HydrophobicContact CD1-CG2 3.95Å; I255-L306 HydrophobicContact CD1-CD1 4.23Å; I255-L306 HydrophobicContact CG1-CD1 4.43Å; I255-L306 HydrophobicContact CG2-CD1 3.58Å; I255-F307 HydrophobicContact CD1-CE2 4.05Å; I255-F307 HydrophobicContact CG2-CE2 4.16Å; I255-F307 HydrophobicContact CG2-CZ 4.07Å
256	E	98.2	Very high	97.2	Very high	31 Å²	31	24.7 Å²	24.7	15%	0.145	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-36.1	176.6	-159.4	61.3	-152.9	0	0	112.2	L192 M209 A252 D253 R259 T260 M425 A426	L192-E256 HydrophobicContact CD1-CB 3.97Å; L192-E256 HydrophobicContact CD1-CG 4.11Å; M209-E256 HydrophobicContact CE-CG 4.43Å; A252-E256 PolarHBondContact O-N 3.24Å; D253-E256 WeakPolarHBondContact O-CB 3.38Å; D253-E256 PolarHBondContact O-N 3.25Å; D253-E256 VanDerWaalsContact O-N 3.1Å; E256-R259 WeakPolarHBondContact O-CB 3.46Å; E256-R259 PolarHBondContact O-N 3.07Å; E256-R259 IonicContact OE2-CZ 3.53Å; E256-R259 IonicContact OE2-NH1 2.81Å; E256-R259 PolarHBondContact OE2-NH1 3.01Å; E256-T260 PolarHBondContact O-N 2.85Å; E256-T260 PolarHBondContact O-OG1 3.41Å; E256-M425 HydrophobicContact CB-CB 4.19Å; E256-A426 HydrophobicContact CG-CB 4.01Å
257	Y	98.3	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-35.9	173.1	-67.6	-49.8	0	0	0	113	D190 I191 L192 M209 I212 I229 I231 D253 G254 I255 T260 G261	D190-Y257 WeakPolarHBondContact CA-OH 3.21Å; D190-Y257 WeakPolarHBondContact OD1-CE2 3.45Å; D190-Y257 PolarHBondContact OD1-OH 3.04Å; I191-Y257 PolarHBondContact N-OH 3.05Å; L192-Y257 WeakPolarHBondContact CB-OH 3.34Å; L192-Y257 HydrophobicContact CD1-CE1 4.02Å; L192-Y257 HydrophobicContact CD1-CE2 4.19Å; L192-Y257 HydrophobicContact CG-CE1 4.13Å; L192-Y257 WeakPolarHBondContact CG-OH 3.45Å; L192-Y257 PolarHBondContact N-OH 3.34Å; M209-Y257 HydrophobicContact CE-CD1 3.64Å; M209-Y257 HydrophobicContact CE-CE1 3.6Å; M209-Y257 HydrophobicContact SD-CD1 4.49Å; M209-Y257 HydrophobicContact SD-CE1 3.86Å; I212-Y257 HydrophobicContact CD1-CD1 4.16Å; I212-Y257 HydrophobicContact CD1-CE1 3.45Å; I212-Y257 VanDerWaalsContact CD1-CE1 3.45Å; I212-Y257 HydrophobicContact CG2-CD1 4.14Å; I212-Y257 HydrophobicContact CG2-CE1 4.46Å; I229-Y257 HydrophobicContact CD1-CD1 3.77Å; I229-Y257 HydrophobicContact CD1-CD2 3.47Å; I229-Y257 VanDerWaalsContact CD1-CD2 3.47Å; I229-Y257 HydrophobicContact CD1-CE1 3.93Å; I229-Y257 HydrophobicContact CD1-CE2 3.6Å; I229-Y257 HydrophobicContact CD1-CG 3.56Å; I231-Y257 HydrophobicContact CG1-CD2 3.99Å; I231-Y257 HydrophobicContact CG1-CE2 4.49Å; I231-Y257 HydrophobicContact CG2-CD2 4.4Å; I231-Y257 HydrophobicContact CG2-CE2 4.47Å; D253-Y257 HydrophobicContact CB-CD2 4.34Å; D253-Y257 HydrophobicContact CB-CE2 3.95Å; D253-Y257 WeakPolarHBondContact O-CD2 3.44Å; D253-Y257 PolarHBondContact O-N 2.89Å; G254-Y257 PolarHBondContact O-N 3.28Å; I255-Y257 VanDerWaalsContact C-N 3.32Å; I255-Y257 PolarHBondContact O-N 3.14Å; Y257-T260 WeakPolarHBondContact O-CB 3.43Å; Y257-T260 PolarHBondContact O-N 2.93Å; Y257-G261 PolarHBondContact O-N 2.99Å
258	I	98.1	Very high	96.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-45	171.1	-67.8	173.4	0	0	0	110.3	G254 I255 T260 G261 V262 V268 F271 L275 W299 V303 F307	G254-I258 PolarHBondContact O-N 3.16Å; I255-I258 PolarHBondContact O-N 2.72Å; I258-T260 PolarHBondContact O-N 3.26Å; I258-G261 PolarHBondContact O-N 3.03Å; I258-V262 HydrophobicContact CG2-CG2 4.32Å; I258-V262 WeakPolarHBondContact O-CG2 3.32Å; I258-V262 PolarHBondContact O-N 3.15Å; I258-V268 HydrophobicContact CG2-CG2 3.86Å; I258-F271 HydrophobicContact CB-CE2 4.46Å; I258-F271 HydrophobicContact CB-CZ 4.31Å; I258-F271 HydrophobicContact CG1-CE2 4.19Å; I258-F271 HydrophobicContact CG1-CZ 4.44Å; I258-F271 HydrophobicContact CG2-CZ 4Å; I258-L275 HydrophobicContact CD1-CD1 4.15Å; I258-L275 HydrophobicContact CG1-CD1 3.72Å; I258-W299 HydrophobicContact CD1-CH2 3.41Å; I258-W299 VanDerWaalsContact CD1-CH2 3.41Å; I258-W299 HydrophobicContact CD1-CZ2 3.73Å; I258-W299 HydrophobicContact CD1-CZ3 4.29Å; I258-W299 HydrophobicContact CG1-CH2 4.11Å; I258-V303 HydrophobicContact CD1-CB 4.5Å; I258-V303 HydrophobicContact CD1-CG1 4.05Å; I258-V303 HydrophobicContact CD1-CG2 3.65Å; I258-F307 HydrophobicContact CB-CD2 4.33Å; I258-F307 HydrophobicContact CB-CE1 4.28Å; I258-F307 HydrophobicContact CB-CE2 3.78Å; I258-F307 HydrophobicContact CB-CZ 3.74Å; I258-F307 HydrophobicContact CD1-CD2 4.11Å; I258-F307 HydrophobicContact CD1-CE2 3.97Å; I258-F307 HydrophobicContact CG1-CE2 4.49Å; I258-F307 HydrophobicContact CG2-CD1 3.64Å; I258-F307 HydrophobicContact CG2-CD2 3.63Å; I258-F307 HydrophobicContact CG2-CE1 3.51Å; I258-F307 HydrophobicContact CG2-CE2 3.5Å; I258-F307 VanDerWaalsContact CG2-CE2 3.5Å; I258-F307 HydrophobicContact CG2-CG 3.7Å; I258-F307 HydrophobicContact CG2-CZ 3.44Å; I258-F307 VanDerWaalsContact CG2-CZ 3.44Å
259	R	97.6	Very high	96.8	Very high	68 Å²	68	30.5 Å²	30.5	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-56.6	-40.6	174.6	-68.3	175.5	-178.5	131.1	5.4	111.7	I255 E256 V262 K263 F307 E420	I255-R259 WeakPolarHBondContact O-CG 2.98Å; I255-R259 PolarHBondContact O-N 3.1Å; E256-R259 WeakPolarHBondContact O-CB 3.46Å; E256-R259 PolarHBondContact O-N 3.07Å; E256-R259 IonicContact OE2-CZ 3.53Å; E256-R259 IonicContact OE2-NH1 2.81Å; E256-R259 PolarHBondContact OE2-NH1 3.01Å; R259-V262 PolarHBondContact O-N 2.93Å; R259-K263 VanDerWaalsContact O-CB 3.31Å; R259-K263 WeakPolarHBondContact O-CB 3.41Å; R259-K263 PolarHBondContact O-N 2.89Å; R259-F307 HydrophobicContact CG-CE1 4.12Å; R259-F307 HydrophobicContact CG-CZ 4.02Å; R259-E420 IonicContact CZ-OE1 3.25Å; R259-E420 IonicContact CZ-OE2 3.88Å; R259-E420 IonicContact NH1-OE1 3.02Å; R259-E420 PolarHBondContact NH1-OE1 2.86Å; R259-E420 IonicContact NH1-OE2 3.94Å; R259-E420 IonicContact NH2-OE1 2.68Å; R259-E420 PolarHBondContact NH2-OE1 3.05Å; R259-E420 IonicContact NH2-OE2 2.93Å; R259-E420 PolarHBondContact NH2-OE2 2.73Å
260	T	96.7	Very high	96.5	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.117	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-46.4	177.9	-59.7	0	0	0	0	111.8	M209 E256 Y257 I258 V262 K263 A264	M209-T260 HydrophobicContact CE-CG2 4.25Å; M209-T260 WeakPolarHBondContact CE-OG1 3.5Å; M209-T260 WeakPolarHBondContact O-CG2 3.42Å; E256-T260 PolarHBondContact O-N 2.85Å; E256-T260 PolarHBondContact O-OG1 3.41Å; Y257-T260 WeakPolarHBondContact O-CB 3.43Å; Y257-T260 PolarHBondContact O-N 2.93Å; I258-T260 PolarHBondContact O-N 3.26Å; T260-V262 PolarHBondContact O-N 3.43Å; T260-K263 PolarHBondContact O-N 3.46Å; T260-A264 PolarHBondContact O-N 3.06Å
261	G	96	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-41.8	174.9	0	0	0	0	0	113	Y257 I258 A264 L266	Y257-G261 PolarHBondContact O-N 2.99Å; I258-G261 PolarHBondContact O-N 3.03Å; G261-A264 WeakPolarHBondContact O-CB 3.12Å; G261-A264 PolarHBondContact O-N 3.21Å; G261-L266 WeakPolarHBondContact O-CB 3.24Å; G261-L266 PolarHBondContact O-N 3.46Å; G261-L266 VanDerWaalsContact O-N 3.12Å
262	V	96.7	Very high	96	Very high	68 Å²	68	33.1 Å²	33.1	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-42	176	174.2	0	0	0	0	111.4	I258 R259 T260 A264 G265	I258-V262 HydrophobicContact CG2-CG2 4.32Å; I258-V262 WeakPolarHBondContact O-CG2 3.32Å; I258-V262 PolarHBondContact O-N 3.15Å; R259-V262 PolarHBondContact O-N 2.93Å; T260-V262 PolarHBondContact O-N 3.43Å; V262-A264 PolarHBondContact O-N 2.92Å; V262-G265 WeakPolarHBondContact O-CA 3.47Å; V262-G265 PolarHBondContact O-N 3.36Å
263	K	93.2	Very high	95.8	Very high	184 Å²	184	34 Å²	34	80%	0.8	20%	0.202	S	C	*	.	H	α-helix	trans	-62.5	-31.2	175.3	-173.5	-179.8	177	-174.2	0	112	R259 T260 G265	R259-K263 VanDerWaalsContact O-CB 3.31Å; R259-K263 WeakPolarHBondContact O-CB 3.41Å; R259-K263 PolarHBondContact O-N 2.89Å; T260-K263 PolarHBondContact O-N 3.46Å; K263-G265 PolarHBondContact O-N 3Å
264	A	91.3	Very high	95.5	Very high	44 Å²	44	38.2 Å²	38.2	36%	0.364	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	6.3	171.5	0	0	0	0	0	113.8	T260 G261 V262	T260-A264 PolarHBondContact O-N 3.06Å; G261-A264 WeakPolarHBondContact O-CB 3.12Å; G261-A264 PolarHBondContact O-N 3.21Å; V262-A264 PolarHBondContact O-N 2.92Å
265	G	92.7	Very high	95.4	Very high	70 Å²	70	38.2 Å²	38.2	72%	0.722	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	9.2	176.5	0	0	0	0	0	114.8	V262 K263	V262-G265 WeakPolarHBondContact O-CA 3.47Å; V262-G265 PolarHBondContact O-N 3.36Å; K263-G265 PolarHBondContact O-N 3Å
266	L	94.7	Very high	95.3	Very high	31 Å²	31	38.8 Å²	38.8	16%	0.162	22%	0.222	C	C	.	.			trans	-86.3	138.2	179.7	-56.6	171.5	0	0	0	111.2	F216 G261 F271	F216-L266 HydrophobicContact CB-CD1 3.7Å; G261-L266 WeakPolarHBondContact O-CB 3.24Å; G261-L266 PolarHBondContact O-N 3.46Å; G261-L266 VanDerWaalsContact O-N 3.12Å; L266-F271 HydrophobicContact CB-CD1 3.78Å; L266-F271 HydrophobicContact CB-CE1 4.09Å; L266-F271 HydrophobicContact CD1-CD1 4.16Å
267	N	95.5	Very high	95.3	Very high	97 Å²	97	37.3 Å²	37.3	52%	0.519	22%	0.215	S	C	.	.			trans	-66.1	137	164.2	-173.5	-61.7	0	0	0	109.3	D269 A270 F271	N267-D269 PolarHBondContact O-N 3.38Å; N267-D269 VanDerWaalsContact O-N 3.14Å; N267-D269 WeakPolarHBondContact OD1-CB 3.37Å; N267-D269 PolarHBondContact OD1-N 2.98Å; N267-A270 HydrophobicContact CB-CB 4.49Å; N267-A270 WeakPolarHBondContact O-CB 3.27Å; N267-A270 PolarHBondContact O-N 3.26Å; N267-F271 WeakPolarHBondContact O-CD1 3.28Å
268	V	96.3	Very high	95.3	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.067	22%	0.216	C	C	.	.	H	α-helix	trans	-51.2	-39.2	178.7	65.9	0	0	0	0	112.7	I258 A270 F271 A272 F307 P309	I258-V268 HydrophobicContact CG2-CG2 3.86Å; V268-A270 PolarHBondContact O-N 2.92Å; V268-F271 PolarHBondContact O-N 3.48Å; V268-A272 HydrophobicContact CG2-CB 3.85Å; V268-A272 WeakPolarHBondContact O-CB 3.38Å; V268-A272 PolarHBondContact O-N 3.02Å; V268-F307 HydrophobicContact CG1-CB 4.46Å; V268-F307 HydrophobicContact CG2-CB 4.23Å; V268-P309 HydrophobicContact CG1-CB 3.95Å
269	D	96.4	Very high	95.3	Very high	13 Å²	13	37.7 Å²	37.7	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-72.7	-6.2	179.2	-71.5	-45.5	0	0	0	114.5	N267 P309 K310 K311 S314	N267-D269 PolarHBondContact O-N 3.38Å; N267-D269 VanDerWaalsContact O-N 3.14Å; N267-D269 WeakPolarHBondContact OD1-CB 3.37Å; N267-D269 PolarHBondContact OD1-N 2.98Å; D269-P309 VanDerWaalsContact OD1-CB 3.3Å; D269-P309 WeakPolarHBondContact OD1-CB 3.41Å; D269-K310 PolarHBondContact OD1-N 3.47Å; D269-K310 WeakPolarHBondContact OD2-CA 3.37Å; D269-K310 WeakPolarHBondContact OD2-CB 3.24Å; D269-K310 PolarHBondContact OD2-N 3.09Å; D269-K311 HydrophobicContact CB-CD 3.98Å; D269-K311 HydrophobicContact CB-CG 4.16Å; D269-K311 PolarHBondContact O-NZ 3.32Å; D269-K311 VanDerWaalsContact O-NZ 3.15Å; D269-K311 WeakPolarHBondContact OD1-CB 3.5Å; D269-K311 PolarHBondContact OD1-N 3.21Å; D269-K311 VanDerWaalsContact OD1-N 3.14Å; D269-S314 WeakPolarHBondContact OD1-CB 3.44Å; D269-S314 PolarHBondContact OD1-OG 3Å
270	A	92.6	Very high	95.4	Very high	51 Å²	51	34.5 Å²	34.5	42%	0.421	20%	0.204	S	C	.	.	H	α-helix	trans	-84.2	-29.2	175	0	0	0	0	0	112.2	N267 V268	N267-A270 HydrophobicContact CB-CB 4.49Å; N267-A270 WeakPolarHBondContact O-CB 3.27Å; N267-A270 PolarHBondContact O-N 3.26Å; V268-A270 PolarHBondContact O-N 2.92Å
271	F	93.2	Very high	95.5	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-127.6	-27.3	-174.8	74.4	-88.3	0	0	0	114.5	F216 I258 L266 N267 V268 P273 R274 L275	F216-F271 HydrophobicContact CD2-CD2 4.2Å; F216-F271 HydrophobicContact CD2-CE2 4.39Å; F216-F271 HydrophobicContact CE2-CD2 4.38Å; F216-F271 HydrophobicContact CE2-CE2 4.37Å; I258-F271 HydrophobicContact CB-CE2 4.46Å; I258-F271 HydrophobicContact CB-CZ 4.31Å; I258-F271 HydrophobicContact CG1-CE2 4.19Å; I258-F271 HydrophobicContact CG1-CZ 4.44Å; I258-F271 HydrophobicContact CG2-CZ 4Å; L266-F271 HydrophobicContact CB-CD1 3.78Å; L266-F271 HydrophobicContact CB-CE1 4.09Å; L266-F271 HydrophobicContact CD1-CD1 4.16Å; N267-F271 WeakPolarHBondContact O-CD1 3.28Å; V268-F271 PolarHBondContact O-N 3.48Å; F271-P273 VanDerWaalsContact C-CD 3.45Å; F271-P273 VanDerWaalsContact C-N 3.33Å; F271-R274 WeakPolarHBondContact O-CA 3.48Å; F271-R274 WeakPolarHBondContact O-CB 3.19Å; F271-R274 PolarHBondContact O-N 3.47Å; F271-L275 HydrophobicContact CD2-CD1 4.44Å; F271-L275 HydrophobicContact CD2-CD2 4.13Å; F271-L275 HydrophobicContact CD2-CG 4.38Å; F271-L275 HydrophobicContact CE2-CD1 4.27Å; F271-L275 HydrophobicContact CE2-CD2 4.45Å; F271-L275 PolarHBondContact O-N 3.26Å
272	A	94.3	Very high	95.6	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.025	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-54.3	-39.8	178.6	0	0	0	0	0	113.8	V268 R274 L275	V268-A272 HydrophobicContact CG2-CB 3.85Å; V268-A272 WeakPolarHBondContact O-CB 3.38Å; V268-A272 PolarHBondContact O-N 3.02Å; A272-R274 PolarHBondContact O-N 2.96Å; A272-L275 HydrophobicContact CB-CD1 4.29Å; A272-L275 WeakPolarHBondContact O-CB 3.3Å; A272-L275 PolarHBondContact O-N 2.85Å
273	P	94.5	Very high	95.7	Very high	22 Å²	22	34.7 Å²	34.7	14%	0.143	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-63.4	-7	174.1	-24.3	36.1	0	0	0	115.1	F271 E313 R318	F271-P273 VanDerWaalsContact C-CD 3.45Å; F271-P273 VanDerWaalsContact C-N 3.33Å; P273-E313 HydrophobicContact CB-CB 4.17Å; P273-E313 HydrophobicContact CG-CB 4.16Å; P273-R318 PolarHBondContact O-NH1 3.14Å; P273-R318 VanDerWaalsContact O-NH1 3.15Å; P273-R318 PolarHBondContact O-NH2 3.2Å
274	R	93	Very high	95.9	Very high	87 Å²	87	27.7 Å²	27.7	33%	0.328	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-107.5	-4.2	176.4	-60.4	-65.9	142.1	-170.5	3.1	113.1	P224 F226 N227 F271 A272 R318	P224-R274 WeakPolarHBondContact O-CD 3.35Å; P224-R274 PolarHBondContact O-NE 3.33Å; P224-R274 PolarHBondContact O-NH1 3.02Å; P224-R274 PolarHBondContact O-NH2 3.3Å; F226-R274 WeakPolarHBondContact O-CD 3.47Å; N227-R274 WeakPolarHBondContact CA-O 3.47Å; N227-R274 VanDerWaalsContact CB-O 3.26Å; N227-R274 WeakPolarHBondContact CB-O 3.42Å; N227-R274 PolarHBondContact OD1-O 3.12Å; F271-R274 WeakPolarHBondContact O-CA 3.48Å; F271-R274 WeakPolarHBondContact O-CB 3.19Å; F271-R274 PolarHBondContact O-N 3.47Å; A272-R274 PolarHBondContact O-N 2.96Å; R274-R318 PolarHBondContact O-NH2 2.78Å
275	L	95.7	Very high	96.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.8	171.4	-57.2	176.9	0	0	0	109.8	F216 I229 I231 I258 F271 A272 W299 R318	F216-L275 HydrophobicContact CZ-CD2 4.36Å; I229-L275 HydrophobicContact CG2-CD2 3.2Å; I229-L275 HydrophobicContact CG2-CG 4.46Å; I231-L275 HydrophobicContact CD1-CB 4.31Å; I258-L275 HydrophobicContact CD1-CD1 4.15Å; I258-L275 HydrophobicContact CG1-CD1 3.72Å; F271-L275 HydrophobicContact CD2-CD1 4.44Å; F271-L275 HydrophobicContact CD2-CD2 4.13Å; F271-L275 HydrophobicContact CD2-CG 4.38Å; F271-L275 HydrophobicContact CE2-CD1 4.27Å; F271-L275 HydrophobicContact CE2-CD2 4.45Å; F271-L275 PolarHBondContact O-N 3.26Å; A272-L275 HydrophobicContact CB-CD1 4.29Å; A272-L275 WeakPolarHBondContact O-CB 3.3Å; A272-L275 PolarHBondContact O-N 2.85Å; L275-W299 HydrophobicContact CD1-CH2 4.17Å; L275-W299 HydrophobicContact CD1-CZ2 3.95Å; L275-R318 PolarHBondContact O-NE 2.98Å; L275-R318 PolarHBondContact O-NH2 2.83Å
276	S	96.3	Very high	96.6	Very high	13 Å²	13	28.6 Å²	28.6	9%	0.091	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	164.5	170.8	53.6	0	0	0	0	110.1	I229 S230 I231 R318	I229-S276 PolarHBondContact O-N 3.09Å; I229-S276 PolarHBondContact O-OG 3.18Å; S230-S276 CarbonylContact C-O 3.55Å; S230-S276 WeakPolarHBondContact CA-O 3.46Å; I231-S276 PolarHBondContact N-O 3.3Å; S276-R318 CarbonylContact C-O 3.26Å; S276-R318 WeakPolarHBondContact CA-O 3.49Å
277	F	98.4	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	159.3	-177.8	-74.2	-99.4	0	0	0	111.1	I231 T250 L251 F279 W299 L317 R318 T319 H320	I231-F277 HydrophobicContact CB-CD1 3.82Å; I231-F277 HydrophobicContact CB-CE1 3.82Å; I231-F277 HydrophobicContact CB-CG 4.34Å; I231-F277 HydrophobicContact CB-CZ 4.36Å; I231-F277 HydrophobicContact CD1-CD2 4.48Å; I231-F277 HydrophobicContact CD1-CE1 3.9Å; I231-F277 HydrophobicContact CD1-CE2 3.89Å; I231-F277 HydrophobicContact CD1-CZ 3.56Å; I231-F277 HydrophobicContact CG1-CE1 4.49Å; I231-F277 HydrophobicContact CG2-CD1 4.06Å; I231-F277 HydrophobicContact CG2-CE1 3.78Å; I231-F277 CarbonylContact O-C 3.53Å; I231-F277 WeakPolarHBondContact O-CA 3.48Å; T250-F277 HydrophobicContact CG2-CD1 3.79Å; T250-F277 HydrophobicContact CG2-CE1 4.19Å; L251-F277 HydrophobicContact CD2-CE1 3.88Å; L251-F277 HydrophobicContact CD2-CZ 4.32Å; F277-F279 HydrophobicContact CB-CD2 4.48Å; F277-F279 HydrophobicContact CB-CE2 4.02Å; F277-F279 HydrophobicContact CD1-CE2 4.36Å; F277-F279 HydrophobicContact CD1-CZ 4.34Å; F277-F279 HydrophobicContact CG-CE2 4.5Å; F277-W299 HydrophobicContact CE1-CE3 4.35Å; F277-W299 HydrophobicContact CE1-CZ3 4.46Å; F277-W299 AromaticContact CE2-CD2 3.97Å; F277-W299 HydrophobicContact CE2-CD2 3.97Å; F277-W299 AromaticContact CE2-CE2 3.78Å; F277-W299 HydrophobicContact CE2-CE3 4.33Å; F277-W299 HydrophobicContact CE2-CG 4.47Å; F277-W299 HydrophobicContact CE2-CH2 4.28Å; F277-W299 AromaticContact CE2-CZ2 3.93Å; F277-W299 HydrophobicContact CE2-CZ2 3.93Å; F277-W299 HydrophobicContact CE2-CZ3 4.49Å; F277-W299 AromaticContact CZ-CD2 3.63Å; F277-W299 HydrophobicContact CZ-CD2 3.63Å; F277-W299 AromaticContact CZ-CE2 3.8Å; F277-W299 AromaticContact CZ-CE3 3.53Å; F277-W299 HydrophobicContact CZ-CE3 3.53Å; F277-W299 HydrophobicContact CZ-CG 4.36Å; F277-W299 AromaticContact CZ-CH2 3.75Å; F277-W299 HydrophobicContact CZ-CH2 3.75Å; F277-W299 AromaticContact CZ-CZ2 3.86Å; F277-W299 HydrophobicContact CZ-CZ2 3.86Å; F277-W299 AromaticContact CZ-CZ3 3.61Å; F277-W299 HydrophobicContact CZ-CZ3 3.61Å; F277-L317 HydrophobicContact CB-CD1 4.44Å; F277-L317 HydrophobicContact CB-CD2 4.31Å; F277-L317 HydrophobicContact CB-CG 4.23Å; F277-L317 HydrophobicContact CD1-CD1 3.85Å; F277-L317 HydrophobicContact CD1-CG 4.41Å; F277-L317 HydrophobicContact CD2-CB 4.35Å; F277-L317 HydrophobicContact CD2-CD1 3.7Å; F277-L317 HydrophobicContact CD2-CD2 4.37Å; F277-L317 HydrophobicContact CD2-CG 3.44Å; F277-L317 VanDerWaalsContact CD2-CG 3.44Å; F277-L317 HydrophobicContact CE1-CD1 3.96Å; F277-L317 HydrophobicContact CE2-CB 4.4Å; F277-L317 HydrophobicContact CE2-CD1 3.79Å; F277-L317 HydrophobicContact CE2-CG 3.82Å; F277-L317 HydrophobicContact CG-CD1 3.71Å; F277-L317 HydrophobicContact CG-CD2 4.36Å; F277-L317 HydrophobicContact CG-CG 3.76Å; F277-L317 HydrophobicContact CZ-CD1 3.92Å; F277-L317 HydrophobicContact CZ-CG 4.46Å; F277-R318 PolarHBondContact N-O 2.86Å; F277-T319 CarbonylContact O-C 3.55Å; F277-T319 WeakPolarHBondContact O-CA 3.26Å; F277-T319 PolarHBondContact O-OG1 3.27Å; F277-H320 PolarHBondContact O-N 2.99Å
278	F	98.4	Very high	96.9	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.035	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	106.9	177.6	175.2	-153.5	0	0	0	111.4	S230 I231 S232 G233 Y234 H235 H320 Q322	S230-F278 WeakPolarHBondContact OG-CB 3.36Å; I231-F278 PolarHBondContact O-N 3.11Å; S232-F278 CarbonylContact C-O 3.23Å; S232-F278 WeakPolarHBondContact CA-O 3.43Å; G233-F278 PolarHBondContact N-O 2.95Å; Y234-F278 VanDerWaalsContact CB-CZ 3.43Å; Y234-F278 AromaticContact CD1-CE1 3.81Å; Y234-F278 HydrophobicContact CD1-CE1 3.81Å; Y234-F278 AromaticContact CD1-CZ 3.65Å; Y234-F278 HydrophobicContact CD1-CZ 3.65Å; Y234-F278 HydrophobicContact CD2-CE2 4.05Å; Y234-F278 AromaticContact CD2-CZ 3.83Å; Y234-F278 HydrophobicContact CD2-CZ 3.83Å; Y234-F278 HydrophobicContact CE1-CZ 4.39Å; Y234-F278 AromaticContact CG-CE1 3.78Å; Y234-F278 HydrophobicContact CG-CE1 3.78Å; Y234-F278 AromaticContact CG-CE2 3.84Å; Y234-F278 HydrophobicContact CG-CE2 3.84Å; Y234-F278 AromaticContact CG-CZ 3.34Å; Y234-F278 HydrophobicContact CG-CZ 3.34Å; Y234-F278 PolarHBondContact N-O 3.26Å; H235-F278 AromaticContact CE1-CD1 3.91Å; H235-F278 AromaticContact CE1-CE1 3.79Å; F278-H320 VanDerWaalsContact CA-O 3.29Å; F278-H320 WeakPolarHBondContact CA-O 3.44Å; F278-H320 HydrophobicContact CD2-CB 4.24Å; F278-H320 AromaticContact CD2-CD2 3.44Å; F278-H320 VanDerWaalsContact CD2-CD2 3.44Å; F278-H320 WeakPolarHBondContact CD2-CD2 3.19Å; F278-H320 AromaticContact CE2-CD2 3.43Å; F278-H320 VanDerWaalsContact CE2-CD2 3.43Å; F278-H320 WeakPolarHBondContact CE2-CD2 3.09Å; F278-Q322 HydrophobicContact CE2-CB 3.46Å; F278-Q322 VanDerWaalsContact CE2-CB 3.46Å; F278-Q322 HydrophobicContact CZ-CB 3.7Å
279	F	98.8	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	147.8	179.5	-70.5	-74.2	0	0	0	112	E246 T250 F277 M281 L292 A295 L317 T319 H320 C321 Q322	E246-F279 HydrophobicContact CG-CD1 4.14Å; E246-F279 WeakPolarHBondContact OE1-CD1 3.5Å; T250-F279 HydrophobicContact CG2-CE1 3.96Å; T250-F279 HydrophobicContact CG2-CZ 4.05Å; F277-F279 HydrophobicContact CB-CD2 4.48Å; F277-F279 HydrophobicContact CB-CE2 4.02Å; F277-F279 HydrophobicContact CD1-CE2 4.36Å; F277-F279 HydrophobicContact CD1-CZ 4.34Å; F277-F279 HydrophobicContact CG-CE2 4.5Å; F279-M281 HydrophobicContact CB-CE 4.48Å; F279-L292 HydrophobicContact CB-CD2 3.88Å; F279-L292 HydrophobicContact CD2-CD2 3.58Å; F279-L292 HydrophobicContact CE2-CD2 4.38Å; F279-L292 HydrophobicContact CG-CD2 3.88Å; F279-A295 HydrophobicContact CE2-CB 3.87Å; F279-A295 HydrophobicContact CZ-CB 3.78Å; F279-L317 HydrophobicContact CE2-CD1 4.36Å; F279-L317 HydrophobicContact CE2-CD2 4.27Å; F279-T319 WeakPolarHBondContact CD2-OG1 3.32Å; F279-H320 PolarHBondContact N-O 3.01Å; F279-C321 VanDerWaalsContact O-CA 3.3Å; F279-C321 WeakPolarHBondContact O-CA 3.41Å; F279-Q322 PolarHBondContact O-N 3.27Å
280	G	98.5	Very high	97.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	158.1	166.5	0	0	0	0	0	111.3	Q237 E246 K291 Q322	Q237-G280 PolarHBondContact OE1-O 3.23Å; E246-G280 PolarHBondContact OE1-N 3.25Å; G280-K291 PolarHBondContact O-NZ 3.22Å; G280-Q322 CarbonylContact C-O 3.49Å; G280-Q322 WeakPolarHBondContact CA-O 3.48Å
281	M	98.8	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	104.1	179.3	-60.1	-85.7	86.2	0	0	108.6	F279 E288 L292 C321 Q322 T323 S324 E343 A347	F279-M281 HydrophobicContact CB-CE 4.48Å; M281-E288 HydrophobicContact CE-CB 3.83Å; M281-E288 HydrophobicContact CE-CG 4.27Å; M281-E288 WeakPolarHBondContact CE-OE2 3.47Å; M281-E288 HydrophobicContact SD-CB 4.22Å; M281-L292 HydrophobicContact CE-CD1 4.14Å; M281-L292 HydrophobicContact CE-CD2 4.02Å; M281-L292 HydrophobicContact CE-CG 3.93Å; M281-L292 HydrophobicContact SD-CD1 3.82Å; M281-L292 HydrophobicContact SD-CG 4.28Å; M281-C321 HydrophobicContact CG-CB 3.79Å; M281-C321 HydrophobicContact SD-CB 4.45Å; M281-Q322 PolarHBondContact N-O 3.05Å; M281-T323 CarbonylContact O-C 3.58Å; M281-T323 WeakPolarHBondContact O-CA 3.46Å; M281-S324 PolarHBondContact O-N 3.09Å; M281-E343 HydrophobicContact CB-CB 4.43Å; M281-E343 WeakPolarHBondContact O-CB 3.27Å; M281-E343 WeakPolarHBondContact O-CG 3.44Å; M281-A347 HydrophobicContact CG-CB 3.76Å; M281-A347 VanDerWaalsContact SD-CA 3.54Å; M281-A347 HydrophobicContact SD-CB 3.7Å
282	G	98.3	Very high	97.7	Very high	6 Å²	6	19.2 Å²	19.2	6%	0.062	9%	0.09	C	C	.	.			trans	-99.5	-171.5	178.2	0	0	0	0	0	113.3	N284 E288	G282-N284 VanDerWaalsContact C-N 3.28Å; G282-N284 PolarHBondContact O-N 2.93Å; G282-E288 PolarHBondContact N-OE1 3.46Å; G282-E288 WeakPolarHBondContact O-CG 3.33Å
283	M	98.6	Very high	97.9	Very high	85 Å²	85	19.1 Å²	19.1	42%	0.419	9%	0.089	S	C	.	.	S	Bend	trans	-72.7	-9.5	-170.9	-71.1	-62.3	-62.4	0	0	115.8	F285 R339 I342 E343	M283-F285 PolarHBondContact O-N 3.36Å; M283-R339 HydrophobicContact CE-CG 4.26Å; M283-R339 HydrophobicContact SD-CB 3.72Å; M283-R339 HydrophobicContact SD-CG 3.93Å; M283-I342 HydrophobicContact CE-CD1 3.97Å; M283-I342 HydrophobicContact CE-CG2 4.36Å; M283-E343 HydrophobicContact SD-CG 3.99Å
284	N	98.3	Very high	98.1	Very high	38 Å²	38	18 Å²	18	20%	0.203	8%	0.082	C	C	.	.			trans	-80.5	71.5	177.3	-167	-6.2	0	0	0	111.2	G282 Y286 M287 E288	G282-N284 VanDerWaalsContact C-N 3.28Å; G282-N284 PolarHBondContact O-N 2.93Å; N284-Y286 PolarHBondContact O-N 3.43Å; N284-Y286 VanDerWaalsContact O-N 3.15Å; N284-M287 HydrophobicContact CB-CB 3.97Å; N284-M287 WeakPolarHBondContact ND2-CB 3.35Å; N284-M287 WeakPolarHBondContact O-CA 3.28Å; N284-M287 WeakPolarHBondContact O-CB 3.42Å; N284-M287 PolarHBondContact O-N 3.3Å; N284-E288 WeakPolarHBondContact O-CG 3.38Å; N284-E288 PolarHBondContact O-N 3.49Å
285	F	98.8	Very high	98.4	Very high	39 Å²	39	13.9 Å²	13.9	17%	0.171	7%	0.066	C	C	.	.	H	α-helix	trans	-44.1	-51.2	-169.4	-179.4	-95	0	0	0	115.1	M283 E288 I289 I342 M345 A346 F349 W395	M283-F285 PolarHBondContact O-N 3.36Å; F285-E288 PolarHBondContact O-N 2.93Å; F285-I289 HydrophobicContact CD1-CD1 3.82Å; F285-I289 HydrophobicContact CE1-CD1 3.37Å; F285-I289 HydrophobicContact CE2-CD1 4.25Å; F285-I289 HydrophobicContact CG-CD1 4.44Å; F285-I289 HydrophobicContact CZ-CD1 3.63Å; F285-I289 WeakPolarHBondContact O-CG1 3.36Å; F285-I289 PolarHBondContact O-N 2.91Å; F285-I342 HydrophobicContact CB-CG2 4.4Å; F285-I342 HydrophobicContact CD2-CG2 4Å; F285-M345 HydrophobicContact CE2-CB 3.86Å; F285-A346 HydrophobicContact CD2-CB 3.75Å; F285-A346 HydrophobicContact CE2-CB 4.12Å; F285-A346 HydrophobicContact CG-CB 4.46Å; F285-F349 HydrophobicContact CE2-CD2 4.04Å; F285-F349 HydrophobicContact CE2-CE2 4.39Å; F285-F349 AromaticContact CZ-CD2 3.51Å; F285-F349 HydrophobicContact CZ-CD2 3.51Å; F285-F349 AromaticContact CZ-CE2 3.75Å; F285-F349 HydrophobicContact CZ-CE2 3.75Å; F285-W395 HydrophobicContact CE1-CZ2 4.03Å
286	Y	98.7	Very high	98.6	Very high	94 Å²	94	13.9 Å²	13.9	37%	0.369	7%	0.066	S	C	.	.	H	α-helix	trans	-68.8	-38.5	-178.8	-58.1	-57.4	0	0	0	112.6	M39 N284 E288 I289 A290 W395 L400 I401	M39-Y286 HydrophobicContact CE-CD2 3.82Å; M39-Y286 HydrophobicContact CE-CE2 4.43Å; M39-Y286 HydrophobicContact CE-CG 4.49Å; N284-Y286 PolarHBondContact O-N 3.43Å; N284-Y286 VanDerWaalsContact O-N 3.15Å; Y286-E288 VanDerWaalsContact C-N 3.34Å; Y286-I289 PolarHBondContact O-N 3.2Å; Y286-A290 WeakPolarHBondContact O-CB 3.32Å; Y286-A290 PolarHBondContact O-N 3.19Å; Y286-W395 HydrophobicContact CE1-CH2 4.15Å; Y286-L400 HydrophobicContact CD1-CD2 4.02Å; Y286-L400 HydrophobicContact CD2-CD2 4.19Å; Y286-L400 HydrophobicContact CE1-CD2 4.22Å; Y286-L400 HydrophobicContact CE2-CD2 4.38Å; Y286-L400 HydrophobicContact CG-CD2 3.99Å; Y286-I401 HydrophobicContact CD1-CD1 4.01Å
287	M	98.7	Very high	98.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-65.3	-40.4	178.2	-169.9	63.6	73.5	0	0	110.9	T33 E35 I37 A243 N284 A290 K291 L404 L408	T33-M287 HydrophobicContact CG2-CE 4.24Å; E35-M287 HydrophobicContact CB-CE 4.23Å; E35-M287 HydrophobicContact CG-CE 4.02Å; E35-M287 HydrophobicContact CG-CG 4.34Å; E35-M287 HydrophobicContact CG-SD 4.15Å; I37-M287 HydrophobicContact CD1-CE 4.12Å; I37-M287 HydrophobicContact CD1-SD 4.39Å; A243-M287 HydrophobicContact CB-CG 3.59Å; A243-M287 HydrophobicContact CB-SD 4.41Å; N284-M287 HydrophobicContact CB-CB 3.97Å; N284-M287 WeakPolarHBondContact ND2-CB 3.35Å; N284-M287 WeakPolarHBondContact O-CA 3.28Å; N284-M287 WeakPolarHBondContact O-CB 3.42Å; N284-M287 PolarHBondContact O-N 3.3Å; M287-A290 CarbonylContact O-C 3.56Å; M287-A290 PolarHBondContact O-N 3.26Å; M287-K291 WeakPolarHBondContact O-CB 3.12Å; M287-K291 PolarHBondContact O-N 3.13Å; M287-L404 HydrophobicContact CE-CD1 3.84Å; M287-L404 HydrophobicContact SD-CD1 4.14Å; M287-L404 HydrophobicContact SD-CD2 4.43Å; M287-L404 HydrophobicContact SD-CG 4.32Å; M287-L408 HydrophobicContact SD-CD1 4.1Å; M287-L408 HydrophobicContact SD-CD2 4.07Å
288	E	98.9	Very high	98.7	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.028	7%	0.066	C	C	.	.	H	α-helix	trans	-67.1	-38.5	179.4	-62.7	-62.9	-167.8	0	0	112.8	Q237 M281 G282 N284 F285 Y286 K291 L292 A346	Q237-E288 PolarHBondContact NE2-OE1 2.76Å; M281-E288 HydrophobicContact CE-CB 3.83Å; M281-E288 HydrophobicContact CE-CG 4.27Å; M281-E288 WeakPolarHBondContact CE-OE2 3.47Å; M281-E288 HydrophobicContact SD-CB 4.22Å; G282-E288 PolarHBondContact N-OE1 3.46Å; G282-E288 WeakPolarHBondContact O-CG 3.33Å; N284-E288 WeakPolarHBondContact O-CG 3.38Å; N284-E288 PolarHBondContact O-N 3.49Å; F285-E288 PolarHBondContact O-N 2.93Å; Y286-E288 VanDerWaalsContact C-N 3.34Å; E288-K291 WeakPolarHBondContact O-CB 3.39Å; E288-K291 PolarHBondContact O-N 3.31Å; E288-K291 IonicContact OE1-NZ 3.85Å; E288-K291 WeakPolarHBondContact OE2-CE 3.28Å; E288-K291 IonicContact OE2-NZ 3.75Å; E288-K291 PolarHBondContact OE2-NZ 2.84Å; E288-L292 PolarHBondContact O-N 3.45Å; E288-A346 HydrophobicContact CB-CB 3.97Å
289	I	98.9	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.4	-48.7	171.8	-65.3	167.1	0	0	0	110	F285 Y286 K291 L292 R293 A346 F349 I401	F285-I289 HydrophobicContact CD1-CD1 3.82Å; F285-I289 HydrophobicContact CE1-CD1 3.37Å; F285-I289 HydrophobicContact CE2-CD1 4.25Å; F285-I289 HydrophobicContact CG-CD1 4.44Å; F285-I289 HydrophobicContact CZ-CD1 3.63Å; F285-I289 WeakPolarHBondContact O-CG1 3.36Å; F285-I289 PolarHBondContact O-N 2.91Å; Y286-I289 PolarHBondContact O-N 3.2Å; I289-K291 VanDerWaalsContact C-N 3.31Å; I289-K291 PolarHBondContact O-N 3.49Å; I289-L292 PolarHBondContact O-N 2.86Å; I289-R293 WeakPolarHBondContact O-CG 3.46Å; I289-R293 PolarHBondContact O-N 2.6Å; I289-A346 HydrophobicContact CG1-CB 4.31Å; I289-F349 HydrophobicContact CD1-CB 3.73Å; I289-F349 HydrophobicContact CD1-CD2 4.27Å; I289-F349 HydrophobicContact CD1-CG 4.34Å; I289-F349 HydrophobicContact CG1-CB 3.84Å; I289-I401 HydrophobicContact CB-CD1 4.41Å; I289-I401 HydrophobicContact CG2-CD1 4.26Å; I289-I401 HydrophobicContact CG2-CG2 4.06Å
290	A	98.7	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.2	-38.8	178	0	0	0	0	0	112	Y286 M287 R293 A294 L404	Y286-A290 WeakPolarHBondContact O-CB 3.32Å; Y286-A290 PolarHBondContact O-N 3.19Å; M287-A290 CarbonylContact O-C 3.56Å; M287-A290 PolarHBondContact O-N 3.26Å; A290-R293 PolarHBondContact O-N 3.12Å; A290-A294 WeakPolarHBondContact O-CB 3.3Å; A290-A294 PolarHBondContact O-N 2.81Å; A290-L404 HydrophobicContact CB-CB 4.14Å; A290-L404 HydrophobicContact CB-CD2 3.96Å; A290-L404 HydrophobicContact CB-CG 3.76Å
291	K	98.9	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.2	-50.4	178.1	-170.4	-178.7	78.1	-167.5	0	111.9	A243 E246 L247 G280 M287 E288 I289 R293 A294 A295 L408	A243-K291 HydrophobicContact CB-CD 3.88Å; A243-K291 HydrophobicContact CB-CG 4.43Å; E246-K291 VanDerWaalsContact CD-NZ 3.27Å; E246-K291 IonicContact OE1-NZ 3.55Å; E246-K291 PolarHBondContact OE1-NZ 3.22Å; E246-K291 WeakPolarHBondContact OE2-CE 3.35Å; E246-K291 IonicContact OE2-NZ 2.84Å; E246-K291 PolarHBondContact OE2-NZ 2.95Å; L247-K291 HydrophobicContact CB-CG 4.38Å; G280-K291 PolarHBondContact O-NZ 3.22Å; M287-K291 WeakPolarHBondContact O-CB 3.12Å; M287-K291 PolarHBondContact O-N 3.13Å; E288-K291 WeakPolarHBondContact O-CB 3.39Å; E288-K291 PolarHBondContact O-N 3.31Å; E288-K291 IonicContact OE1-NZ 3.85Å; E288-K291 WeakPolarHBondContact OE2-CE 3.28Å; E288-K291 IonicContact OE2-NZ 3.75Å; E288-K291 PolarHBondContact OE2-NZ 2.84Å; I289-K291 VanDerWaalsContact C-N 3.31Å; I289-K291 PolarHBondContact O-N 3.49Å; K291-R293 VanDerWaalsContact C-N 3.34Å; K291-R293 PolarHBondContact O-N 3.23Å; K291-A294 PolarHBondContact O-N 2.75Å; K291-A295 VanDerWaalsContact O-CB 3.31Å; K291-A295 WeakPolarHBondContact O-CB 3.49Å; K291-A295 PolarHBondContact O-N 3.08Å; K291-L408 VanDerWaalsContact CA-CD2 3.47Å; K291-L408 HydrophobicContact CB-CD2 3.89Å; K291-L408 HydrophobicContact CG-CD2 4.35Å
292	L	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.7	-35.3	-179.8	-65.2	-172	0	0	0	112.7	F279 M281 E288 I289 R296 T319 G350	F279-L292 HydrophobicContact CB-CD2 3.88Å; F279-L292 HydrophobicContact CD2-CD2 3.58Å; F279-L292 HydrophobicContact CE2-CD2 4.38Å; F279-L292 HydrophobicContact CG-CD2 3.88Å; M281-L292 HydrophobicContact CE-CD1 4.14Å; M281-L292 HydrophobicContact CE-CD2 4.02Å; M281-L292 HydrophobicContact CE-CG 3.93Å; M281-L292 HydrophobicContact SD-CD1 3.82Å; M281-L292 HydrophobicContact SD-CG 4.28Å; E288-L292 PolarHBondContact O-N 3.45Å; I289-L292 PolarHBondContact O-N 2.86Å; L292-R296 VanDerWaalsContact O-CZ 3.28Å; L292-R296 PolarHBondContact O-N 2.95Å; L292-R296 PolarHBondContact O-NH1 3.34Å; L292-R296 VanDerWaalsContact O-NH1 3.16Å; L292-T319 HydrophobicContact CD2-CG2 4.42Å; L292-G350 WeakPolarHBondContact CB-O 3.26Å
293	R	98.8	Very high	98.6	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-67.2	-46.7	174.3	-62.7	173.9	87.3	-115.8	3.1	111.2	I289 A290 K291 R296 R297 D393 E402 T405	I289-R293 WeakPolarHBondContact O-CG 3.46Å; I289-R293 PolarHBondContact O-N 2.6Å; A290-R293 PolarHBondContact O-N 3.12Å; K291-R293 VanDerWaalsContact C-N 3.34Å; K291-R293 PolarHBondContact O-N 3.23Å; R293-R296 PolarHBondContact O-N 3.3Å; R293-R297 PolarHBondContact O-N 3.21Å; R293-D393 IonicContact CZ-OD2 3.92Å; R293-D393 IonicContact NE-OD1 2.76Å; R293-D393 PolarHBondContact NE-OD1 2.8Å; R293-D393 IonicContact NE-OD2 3.66Å; R293-D393 IonicContact NH2-OD2 3.77Å; R293-D393 PolarHBondContact NH2-OD2 2.85Å; R293-E402 IonicContact CZ-OE1 3.37Å; R293-E402 IonicContact CZ-OE2 2.86Å; R293-E402 IonicContact NH1-OE1 3.82Å; R293-E402 IonicContact NH1-OE2 3.84Å; R293-E402 PolarHBondContact NH1-OE2 3.21Å; R293-E402 IonicContact NH2-OE1 2.99Å; R293-E402 PolarHBondContact NH2-OE1 3.3Å; R293-E402 IonicContact NH2-OE2 3.19Å; R293-E402 PolarHBondContact NH2-OE2 3.36Å; R293-T405 HydrophobicContact CB-CG2 3.79Å; R293-T405 PolarHBondContact NH1-OG1 3.49Å
294	A	98.6	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.8	-42.8	177.7	0	0	0	0	0	111.6	L247 A290 K291 R296 R297 L298 T405 L408 C409	L247-A294 HydrophobicContact CD2-CB 3.79Å; A290-A294 WeakPolarHBondContact O-CB 3.3Å; A290-A294 PolarHBondContact O-N 2.81Å; K291-A294 PolarHBondContact O-N 2.75Å; A294-R296 VanDerWaalsContact C-N 3.35Å; A294-R296 PolarHBondContact O-N 3.25Å; A294-R297 PolarHBondContact O-N 3.06Å; A294-L298 WeakPolarHBondContact O-CB 3.25Å; A294-L298 VanDerWaalsContact O-CG 3.3Å; A294-L298 WeakPolarHBondContact O-CG 3.47Å; A294-L298 PolarHBondContact O-N 3.48Å; A294-T405 HydrophobicContact CB-CG2 4.11Å; A294-L408 HydrophobicContact CB-CD2 4.35Å; A294-C409 VanDerWaalsContact CB-SG 3.54Å
295	A	98.9	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-53.4	-48.7	176.6	0	0	0	0	0	112.6	L247 F279 K291 W299 L317	L247-A295 VanDerWaalsContact CD1-CA 3.47Å; L247-A295 HydrophobicContact CD1-CB 3.55Å; F279-A295 HydrophobicContact CE2-CB 3.87Å; F279-A295 HydrophobicContact CZ-CB 3.78Å; K291-A295 VanDerWaalsContact O-CB 3.31Å; K291-A295 WeakPolarHBondContact O-CB 3.49Å; K291-A295 PolarHBondContact O-N 3.08Å; A295-W299 WeakPolarHBondContact O-CB 3.3Å; A295-W299 PolarHBondContact O-N 3.35Å; A295-L317 HydrophobicContact CB-CD1 4Å; A295-L317 HydrophobicContact CB-CD2 4.47Å
296	R	98.8	Very high	98.4	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-62.5	-46.3	178.8	-68.9	-175.2	-68.1	-91.8	6.2	112	P60 F61 S62 L292 R293 A294 A300 L317 G350	P60-R296 CarbonylContact O-C 3.51Å; F61-R296 HydrophobicContact CB-CB 4.34Å; F61-R296 WeakPolarHBondContact O-CB 3.31Å; F61-R296 WeakPolarHBondContact O-CD 3.17Å; F61-R296 PolarHBondContact O-NE 3.3Å; S62-R296 PolarHBondContact O-NE 3.32Å; S62-R296 PolarHBondContact O-NH2 2.74Å; L292-R296 VanDerWaalsContact O-CZ 3.28Å; L292-R296 PolarHBondContact O-N 2.95Å; L292-R296 PolarHBondContact O-NH1 3.34Å; L292-R296 VanDerWaalsContact O-NH1 3.16Å; R293-R296 PolarHBondContact O-N 3.3Å; A294-R296 VanDerWaalsContact C-N 3.35Å; A294-R296 PolarHBondContact O-N 3.25Å; R296-A300 VanDerWaalsContact O-CB 3.29Å; R296-A300 WeakPolarHBondContact O-CB 3.48Å; R296-A300 PolarHBondContact O-N 3.1Å; R296-L317 HydrophobicContact CG-CB 4.09Å; R296-L317 HydrophobicContact CG-CD2 3.95Å; R296-G350 VanDerWaalsContact CZ-O 3.22Å; R296-G350 PolarHBondContact NH1-O 3.19Å; R296-G350 PolarHBondContact NH2-O 3.15Å
297	R	98.4	Very high	98.4	Very high	22 Å²	22	19.7 Å²	19.7	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-62.2	-49.9	-179.5	-175	-176.3	-69.8	167.9	-10.2	112.2	M1 E54 P60 S62 R293 A294 T301 N406	M1-R297 HydrophobicContact CE-CG 4.42Å; E54-R297 IonicContact OE1-CZ 2.83Å; E54-R297 IonicContact OE1-NE 3.9Å; E54-R297 IonicContact OE1-NH2 3.45Å; E54-R297 PolarHBondContact OE1-NH2 2.92Å; P60-R297 HydrophobicContact CB-CG 4Å; P60-R297 HydrophobicContact CG-CG 3.91Å; P60-R297 WeakPolarHBondContact O-CA 3.33Å; S62-R297 PolarHBondContact OG-NE 3.28Å; S62-R297 PolarHBondContact OG-NH2 2.99Å; R293-R297 PolarHBondContact O-N 3.21Å; A294-R297 PolarHBondContact O-N 3.06Å; R297-T301 WeakPolarHBondContact O-CB 3.49Å; R297-T301 PolarHBondContact O-N 2.95Å; R297-T301 VanDerWaalsContact O-N 3.12Å; R297-T301 PolarHBondContact O-OG1 3.42Å; R297-N406 PolarHBondContact NH1-OD1 3.33Å
298	L	98.4	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-53	179.1	-69	-179.3	0	0	0	109.9	M1 L247 L251 A294 A300 T301 W302 C409 A412 S413	M1-L298 HydrophobicContact CE-CD2 3.46Å; M1-L298 VanDerWaalsContact CE-CD2 3.46Å; M1-L298 HydrophobicContact CE-CG 4.48Å; M1-L298 HydrophobicContact SD-CD2 3.65Å; L247-L298 HydrophobicContact CD1-CD1 4.28Å; L247-L298 HydrophobicContact CD2-CD1 3.79Å; L247-L298 HydrophobicContact CG-CD1 3.99Å; L251-L298 HydrophobicContact CD1-CB 3.4Å; L251-L298 HydrophobicContact CD1-CD1 3.74Å; L251-L298 HydrophobicContact CD1-CG 4.22Å; A294-L298 WeakPolarHBondContact O-CB 3.25Å; A294-L298 VanDerWaalsContact O-CG 3.3Å; A294-L298 WeakPolarHBondContact O-CG 3.47Å; A294-L298 PolarHBondContact O-N 3.48Å; L298-A300 PolarHBondContact O-N 3.3Å; L298-T301 PolarHBondContact O-N 2.85Å; L298-W302 WeakPolarHBondContact O-CB 3.49Å; L298-W302 VanDerWaalsContact O-CD1 3.23Å; L298-W302 PolarHBondContact O-N 2.84Å; L298-C409 HydrophobicContact CD2-CB 3.99Å; L298-C409 HydrophobicContact CG-CB 4.44Å; L298-A412 HydrophobicContact CD1-CB 3.81Å; L298-S413 VanDerWaalsContact CD2-OG 3.26Å; L298-S413 WeakPolarHBondContact CD2-OG 3.44Å
299	W	98.7	Very high	98.2	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.019	13%	0.131	C	C	.	.	H	α-helix	trans	-53	-53.4	179	178.3	-107	0	0	0	112.4	I231 L251 I255 I258 L275 F277 A295 T301 W302 V303 L317	I231-W299 HydrophobicContact CD1-CH2 4.46Å; L251-W299 HydrophobicContact CD2-CB 3.93Å; L251-W299 HydrophobicContact CD2-CE3 4.03Å; I255-W299 HydrophobicContact CD1-CE3 4.33Å; I255-W299 HydrophobicContact CD1-CZ3 3.91Å; I255-W299 HydrophobicContact CG1-CZ3 4.46Å; I258-W299 HydrophobicContact CD1-CH2 3.41Å; I258-W299 VanDerWaalsContact CD1-CH2 3.41Å; I258-W299 HydrophobicContact CD1-CZ2 3.73Å; I258-W299 HydrophobicContact CD1-CZ3 4.29Å; I258-W299 HydrophobicContact CG1-CH2 4.11Å; L275-W299 HydrophobicContact CD1-CH2 4.17Å; L275-W299 HydrophobicContact CD1-CZ2 3.95Å; F277-W299 HydrophobicContact CE1-CE3 4.35Å; F277-W299 HydrophobicContact CE1-CZ3 4.46Å; F277-W299 AromaticContact CE2-CD2 3.97Å; F277-W299 HydrophobicContact CE2-CD2 3.97Å; F277-W299 AromaticContact CE2-CE2 3.78Å; F277-W299 HydrophobicContact CE2-CE3 4.33Å; F277-W299 HydrophobicContact CE2-CG 4.47Å; F277-W299 HydrophobicContact CE2-CH2 4.28Å; F277-W299 AromaticContact CE2-CZ2 3.93Å; F277-W299 HydrophobicContact CE2-CZ2 3.93Å; F277-W299 HydrophobicContact CE2-CZ3 4.49Å; F277-W299 AromaticContact CZ-CD2 3.63Å; F277-W299 HydrophobicContact CZ-CD2 3.63Å; F277-W299 AromaticContact CZ-CE2 3.8Å; F277-W299 AromaticContact CZ-CE3 3.53Å; F277-W299 HydrophobicContact CZ-CE3 3.53Å; F277-W299 HydrophobicContact CZ-CG 4.36Å; F277-W299 AromaticContact CZ-CH2 3.75Å; F277-W299 HydrophobicContact CZ-CH2 3.75Å; F277-W299 AromaticContact CZ-CZ2 3.86Å; F277-W299 HydrophobicContact CZ-CZ2 3.86Å; F277-W299 AromaticContact CZ-CZ3 3.61Å; F277-W299 HydrophobicContact CZ-CZ3 3.61Å; A295-W299 WeakPolarHBondContact O-CB 3.3Å; A295-W299 PolarHBondContact O-N 3.35Å; W299-T301 VanDerWaalsContact C-N 3.27Å; W299-T301 PolarHBondContact O-N 3.02Å; W299-W302 PolarHBondContact O-N 3.19Å; W299-V303 HydrophobicContact CD2-CG2 3.62Å; W299-V303 VanDerWaalsContact CE2-CG2 3.5Å; W299-V303 HydrophobicContact CE3-CG2 3.76Å; W299-V303 HydrophobicContact CG-CG2 4.3Å; W299-V303 HydrophobicContact CH2-CG2 3.78Å; W299-V303 HydrophobicContact CZ2-CG2 3.61Å; W299-V303 HydrophobicContact CZ3-CG2 3.83Å; W299-V303 WeakPolarHBondContact O-CB 3.45Å; W299-V303 VanDerWaalsContact O-CG2 3.29Å; W299-V303 WeakPolarHBondContact O-CG2 3.49Å; W299-V303 PolarHBondContact O-N 3.48Å; W299-L317 HydrophobicContact CB-CB 4.06Å; W299-L317 HydrophobicContact CB-CD1 3.79Å; W299-L317 HydrophobicContact CG-CB 3.93Å; W299-L317 HydrophobicContact CG-CD1 4.05Å
300	A	98.4	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-40.1	-177.7	0	0	0	0	0	111.8	F59 P60 F61 R296 L298 K304 L315	F59-A300 HydrophobicContact CD2-CB 3.96Å; F59-A300 HydrophobicContact CE2-CB 3.85Å; P60-A300 HydrophobicContact CB-CB 4.49Å; F61-A300 HydrophobicContact CD2-CB 3.8Å; F61-A300 HydrophobicContact CE2-CB 4.21Å; R296-A300 VanDerWaalsContact O-CB 3.29Å; R296-A300 WeakPolarHBondContact O-CB 3.48Å; R296-A300 PolarHBondContact O-N 3.1Å; L298-A300 PolarHBondContact O-N 3.3Å; A300-K304 WeakPolarHBondContact O-CB 3.3Å; A300-K304 PolarHBondContact O-N 3.24Å; A300-L315 HydrophobicContact CB-CB 4.33Å; A300-L315 WeakPolarHBondContact CB-O 3.41Å
301	T	97.7	Very high	98	Very high	24 Å²	24	39 Å²	39	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-51.9	179.7	-53.2	0	0	0	0	111.2	M1 R297 L298 W299 V303 K304 D305	M1-T301 HydrophobicContact CE-CG2 3.79Å; M1-T301 WeakPolarHBondContact CE-OG1 3.31Å; R297-T301 WeakPolarHBondContact O-CB 3.49Å; R297-T301 PolarHBondContact O-N 2.95Å; R297-T301 VanDerWaalsContact O-N 3.12Å; R297-T301 PolarHBondContact O-OG1 3.42Å; L298-T301 PolarHBondContact O-N 2.85Å; W299-T301 VanDerWaalsContact C-N 3.27Å; W299-T301 PolarHBondContact O-N 3.02Å; T301-V303 PolarHBondContact O-N 3.08Å; T301-K304 PolarHBondContact O-N 3.1Å; T301-D305 WeakPolarHBondContact O-CB 3.5Å; T301-D305 VanDerWaalsContact O-CG 3.24Å; T301-D305 PolarHBondContact O-N 3.28Å
302	W	98	Very high	97.8	Very high	22 Å²	22	41.6 Å²	41.6	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-43.8	-178.2	-83.3	81.2	0	0	0	112.5	I255 L298 W299 K304 D305 L306 M416 Y417 E420	I255-W302 HydrophobicContact CD1-CB 4.05Å; L298-W302 WeakPolarHBondContact O-CB 3.49Å; L298-W302 VanDerWaalsContact O-CD1 3.23Å; L298-W302 PolarHBondContact O-N 2.84Å; W299-W302 PolarHBondContact O-N 3.19Å; W302-K304 VanDerWaalsContact C-N 3.33Å; W302-K304 PolarHBondContact O-N 3.34Å; W302-D305 PolarHBondContact O-N 2.59Å; W302-L306 HydrophobicContact CE3-CD1 3.76Å; W302-L306 HydrophobicContact CE3-CG 4.46Å; W302-L306 HydrophobicContact CZ3-CD1 4.26Å; W302-L306 WeakPolarHBondContact O-CB 3.42Å; W302-L306 WeakPolarHBondContact O-CG 3.42Å; W302-L306 PolarHBondContact O-N 2.87Å; W302-M416 HydrophobicContact CD2-CE 3.6Å; W302-M416 HydrophobicContact CE3-CE 4.04Å; W302-M416 HydrophobicContact CG-CE 3.88Å; W302-M416 HydrophobicContact CH2-CB 3.91Å; W302-M416 HydrophobicContact CH2-CE 4.49Å; W302-M416 HydrophobicContact CZ2-CB 3.58Å; W302-M416 HydrophobicContact CZ2-CE 4.1Å; W302-M416 HydrophobicContact CZ2-SD 4.37Å; W302-M416 HydrophobicContact CZ3-CE 4.47Å; W302-Y417 AromaticContact CH2-CD1 3.68Å; W302-Y417 HydrophobicContact CH2-CD1 3.68Å; W302-Y417 AromaticContact CH2-CE1 3.74Å; W302-Y417 HydrophobicContact CH2-CE1 3.74Å; W302-Y417 HydrophobicContact CH2-CG 4.38Å; W302-Y417 AromaticContact CZ2-CD1 3.94Å; W302-Y417 HydrophobicContact CZ2-CD1 3.94Å; W302-Y417 AromaticContact CZ2-CE1 3.76Å; W302-Y417 HydrophobicContact CZ2-CE1 3.76Å; W302-Y417 HydrophobicContact CZ2-CG 4.38Å; W302-E420 HydrophobicContact CH2-CG 3.99Å; W302-E420 HydrophobicContact CZ3-CG 3.77Å
303	V	98.2	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-39.5	178.1	175.4	0	0	0	0	111.4	I255 I258 W299 T301 F307 P309 L315	I255-V303 HydrophobicContact CD1-CG2 3.95Å; I258-V303 HydrophobicContact CD1-CB 4.5Å; I258-V303 HydrophobicContact CD1-CG1 4.05Å; I258-V303 HydrophobicContact CD1-CG2 3.65Å; W299-V303 HydrophobicContact CD2-CG2 3.62Å; W299-V303 VanDerWaalsContact CE2-CG2 3.5Å; W299-V303 HydrophobicContact CE3-CG2 3.76Å; W299-V303 HydrophobicContact CG-CG2 4.3Å; W299-V303 HydrophobicContact CH2-CG2 3.78Å; W299-V303 HydrophobicContact CZ2-CG2 3.61Å; W299-V303 HydrophobicContact CZ3-CG2 3.83Å; W299-V303 WeakPolarHBondContact O-CB 3.45Å; W299-V303 VanDerWaalsContact O-CG2 3.29Å; W299-V303 WeakPolarHBondContact O-CG2 3.49Å; W299-V303 PolarHBondContact O-N 3.48Å; T301-V303 PolarHBondContact O-N 3.08Å; V303-F307 HydrophobicContact CG1-CD2 4.22Å; V303-F307 WeakPolarHBondContact O-CB 3.38Å; V303-F307 PolarHBondContact O-N 3.01Å; V303-P309 HydrophobicContact CG1-CG 4.23Å; V303-L315 HydrophobicContact CB-CD2 4.07Å; V303-L315 HydrophobicContact CG1-CD2 3.89Å
304	K	97.9	Very high	97.6	Very high	99 Å²	99	45.1 Å²	45.1	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-49.7	176.1	-175.3	-178	179.1	-175.2	0	111.1	F59 A300 T301 W302 S308 L315	F59-K304 HydrophobicContact CE2-CB 4.46Å; F59-K304 HydrophobicContact CE2-CD 3.86Å; F59-K304 HydrophobicContact CZ-CD 3.9Å; A300-K304 WeakPolarHBondContact O-CB 3.3Å; A300-K304 PolarHBondContact O-N 3.24Å; T301-K304 PolarHBondContact O-N 3.1Å; W302-K304 VanDerWaalsContact C-N 3.33Å; W302-K304 PolarHBondContact O-N 3.34Å; K304-S308 WeakPolarHBondContact O-CA 3.38Å; K304-S308 PolarHBondContact O-N 3.03Å; K304-L315 HydrophobicContact CB-CD1 4.46Å; K304-L315 HydrophobicContact CB-CD2 3.85Å
305	D	97.1	Very high	97.6	Very high	116 Å²	116	46 Å²	46	62%	0.62	23%	0.232	S	C	*	.	H	α-helix	trans	-69.1	-39.3	-174.5	-67.2	-10.8	0	0	0	111.9	T301 W302	T301-D305 WeakPolarHBondContact O-CB 3.5Å; T301-D305 VanDerWaalsContact O-CG 3.24Å; T301-D305 PolarHBondContact O-N 3.28Å; W302-D305 PolarHBondContact O-N 2.59Å
306	L	97	Very high	97.6	Very high	73 Å²	73	48.6 Å²	48.6	38%	0.382	24%	0.242	S	C	.	.	H	α-helix	trans	-84.7	-32	-176.6	-68.5	178.2	0	0	0	114.4	I255 W302	I255-L306 HydrophobicContact CD1-CD1 4.23Å; I255-L306 HydrophobicContact CG1-CD1 4.43Å; I255-L306 HydrophobicContact CG2-CD1 3.58Å; W302-L306 HydrophobicContact CE3-CD1 3.76Å; W302-L306 HydrophobicContact CE3-CG 4.46Å; W302-L306 HydrophobicContact CZ3-CD1 4.26Å; W302-L306 WeakPolarHBondContact O-CB 3.42Å; W302-L306 WeakPolarHBondContact O-CG 3.42Å; W302-L306 PolarHBondContact O-N 2.87Å
307	F	97.5	Very high	97.5	Very high	44 Å²	44	48.6 Å²	48.6	19%	0.193	24%	0.242	C	C	.	.	H	α-helix	trans	-125.4	-11	-168.8	-53.9	-72.7	0	0	0	114.8	I255 I258 R259 V268 V303	I255-F307 HydrophobicContact CD1-CE2 4.05Å; I255-F307 HydrophobicContact CG2-CE2 4.16Å; I255-F307 HydrophobicContact CG2-CZ 4.07Å; I258-F307 HydrophobicContact CB-CD2 4.33Å; I258-F307 HydrophobicContact CB-CE1 4.28Å; I258-F307 HydrophobicContact CB-CE2 3.78Å; I258-F307 HydrophobicContact CB-CZ 3.74Å; I258-F307 HydrophobicContact CD1-CD2 4.11Å; I258-F307 HydrophobicContact CD1-CE2 3.97Å; I258-F307 HydrophobicContact CG1-CE2 4.49Å; I258-F307 HydrophobicContact CG2-CD1 3.64Å; I258-F307 HydrophobicContact CG2-CD2 3.63Å; I258-F307 HydrophobicContact CG2-CE1 3.51Å; I258-F307 HydrophobicContact CG2-CE2 3.5Å; I258-F307 VanDerWaalsContact CG2-CE2 3.5Å; I258-F307 HydrophobicContact CG2-CG 3.7Å; I258-F307 HydrophobicContact CG2-CZ 3.44Å; I258-F307 VanDerWaalsContact CG2-CZ 3.44Å; R259-F307 HydrophobicContact CG-CE1 4.12Å; R259-F307 HydrophobicContact CG-CZ 4.02Å; V268-F307 HydrophobicContact CG1-CB 4.46Å; V268-F307 HydrophobicContact CG2-CB 4.23Å; V303-F307 HydrophobicContact CG1-CD2 4.22Å; V303-F307 WeakPolarHBondContact O-CB 3.38Å; V303-F307 PolarHBondContact O-N 3.01Å
308	S	97.1	Very high	97.5	Very high	93 Å²	93	49.5 Å²	49.5	65%	0.65	25%	0.246	S	C	*	.			trans	46.5	52.6	176.9	-64.4	0	0	0	0	114.4	K304	K304-S308 WeakPolarHBondContact O-CA 3.38Å; K304-S308 PolarHBondContact O-N 3.03Å
309	P	97.5	Very high	97.4	Very high	21 Å²	21	49.6 Å²	49.6	14%	0.136	25%	0.246	C	C	.	.			trans	-63	148.4	179.9	28.9	-35	0	0	0	111.4	V268 D269 V303 L315	V268-P309 HydrophobicContact CG1-CB 3.95Å; D269-P309 VanDerWaalsContact OD1-CB 3.3Å; D269-P309 WeakPolarHBondContact OD1-CB 3.41Å; V303-P309 HydrophobicContact CG1-CG 4.23Å; P309-L315 HydrophobicContact CG-CD2 3.41Å; P309-L315 VanDerWaalsContact CG-CD2 3.41Å; P309-L315 HydrophobicContact CG-CG 3.96Å
310	K	97.3	Very high	97.3	Very high	193 Å²	193	50.9 Å²	50.9	84%	0.839	25%	0.252	S	S	*	.	S	Bend	trans	-86.6	-24.3	178.2	-60.4	-177.9	178.6	-178.9	0	112.2	D269	D269-K310 PolarHBondContact OD1-N 3.47Å; D269-K310 WeakPolarHBondContact OD2-CA 3.37Å; D269-K310 WeakPolarHBondContact OD2-CB 3.24Å; D269-K310 PolarHBondContact OD2-N 3.09Å
311	K	95.7	Very high	97.3	Very high	104 Å²	104	50.9 Å²	50.9	45%	0.452	25%	0.252	S	S	.	.	S	Bend	trans	-96.5	132.5	179.9	-61.7	-179.3	-170.5	163.2	0	110.9	D269 E313 S314	D269-K311 HydrophobicContact CB-CD 3.98Å; D269-K311 HydrophobicContact CB-CG 4.16Å; D269-K311 PolarHBondContact O-NZ 3.32Å; D269-K311 VanDerWaalsContact O-NZ 3.15Å; D269-K311 WeakPolarHBondContact OD1-CB 3.5Å; D269-K311 PolarHBondContact OD1-N 3.21Å; D269-K311 VanDerWaalsContact OD1-N 3.14Å; K311-E313 PolarHBondContact O-N 2.68Å; K311-S314 WeakPolarHBondContact O-CB 3.32Å; K311-S314 PolarHBondContact O-N 3.09Å
312	S	95.8	Very high	97.3	Very high	56 Å²	56	50.6 Å²	50.6	39%	0.392	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-61.3	-28.5	175.3	75.5	0	0	0	0	112.4	S314 L315 R316	S312-S314 PolarHBondContact O-N 3Å; S312-L315 WeakPolarHBondContact O-CB 3.27Å; S312-L315 PolarHBondContact O-N 2.92Å; S312-L315 VanDerWaalsContact O-N 3.14Å; S312-R316 PolarHBondContact OG-NH2 3.01Å
313	E	95.9	Very high	97.4	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-60.8	-33.1	178.4	-69.5	65.9	-150	0	0	112.3	P273 K311 L315 R316	P273-E313 HydrophobicContact CB-CB 4.17Å; P273-E313 HydrophobicContact CG-CB 4.16Å; K311-E313 PolarHBondContact O-N 2.68Å; E313-L315 PolarHBondContact O-N 3.23Å; E313-R316 PolarHBondContact O-N 2.81Å; E313-R316 IonicContact OE1-CZ 2.69Å; E313-R316 IonicContact OE1-NH1 3.48Å; E313-R316 IonicContact OE1-NH2 2.68Å; E313-R316 PolarHBondContact OE1-NH2 3.22Å
314	S	97.3	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-68.7	-19	179.5	-57.1	0	0	0	0	112.5	D269 K311 S312	D269-S314 WeakPolarHBondContact OD1-CB 3.44Å; D269-S314 PolarHBondContact OD1-OG 3Å; K311-S314 WeakPolarHBondContact O-CB 3.32Å; K311-S314 PolarHBondContact O-N 3.09Å; S312-S314 PolarHBondContact O-N 3Å
315	L	98.3	Very high	97.2	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.094	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-91.5	-7.8	177.9	-57.9	179.2	0	0	0	112.9	F59 F61 A300 V303 K304 P309 S312 E313	F59-L315 HydrophobicContact CD2-CD1 4.02Å; F59-L315 HydrophobicContact CE2-CD1 4.43Å; F61-L315 HydrophobicContact CE2-CB 3.77Å; F61-L315 HydrophobicContact CZ-CB 4.49Å; A300-L315 HydrophobicContact CB-CB 4.33Å; A300-L315 WeakPolarHBondContact CB-O 3.41Å; V303-L315 HydrophobicContact CB-CD2 4.07Å; V303-L315 HydrophobicContact CG1-CD2 3.89Å; K304-L315 HydrophobicContact CB-CD1 4.46Å; K304-L315 HydrophobicContact CB-CD2 3.85Å; P309-L315 HydrophobicContact CG-CD2 3.41Å; P309-L315 VanDerWaalsContact CG-CD2 3.41Å; P309-L315 HydrophobicContact CG-CG 3.96Å; S312-L315 WeakPolarHBondContact O-CB 3.27Å; S312-L315 PolarHBondContact O-N 2.92Å; S312-L315 VanDerWaalsContact O-N 3.14Å; E313-L315 PolarHBondContact O-N 3.23Å
316	R	97.5	Very high	97	Very high	54 Å²	54	44.3 Å²	44.3	20%	0.204	22%	0.222	C	C	.	.			trans	-82.2	121.6	-176.5	-64.2	-178.2	-168.7	149.3	13.3	110.3	F61 P65 S312 E313	F61-R316 HydrophobicContact CD1-CG 4.4Å; F61-R316 HydrophobicContact CE1-CG 4.03Å; F61-R316 HydrophobicContact CE2-CG 4.42Å; F61-R316 HydrophobicContact CZ-CG 4.04Å; P65-R316 HydrophobicContact CB-CB 4.38Å; S312-R316 PolarHBondContact OG-NH2 3.01Å; E313-R316 PolarHBondContact O-N 2.81Å; E313-R316 IonicContact OE1-CZ 2.69Å; E313-R316 IonicContact OE1-NH1 3.48Å; E313-R316 IonicContact OE1-NH2 2.68Å; E313-R316 PolarHBondContact OE1-NH2 3.22Å
317	L	98.5	Very high	97	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.208	C	C	.	.			trans	-82.7	117.4	163.9	-178.4	147.8	0	0	0	108.9	L251 F277 F279 A295 R296 W299 T319	L251-L317 HydrophobicContact CD2-CD1 3.83Å; F277-L317 HydrophobicContact CB-CD1 4.44Å; F277-L317 HydrophobicContact CB-CD2 4.31Å; F277-L317 HydrophobicContact CB-CG 4.23Å; F277-L317 HydrophobicContact CD1-CD1 3.85Å; F277-L317 HydrophobicContact CD1-CG 4.41Å; F277-L317 HydrophobicContact CD2-CB 4.35Å; F277-L317 HydrophobicContact CD2-CD1 3.7Å; F277-L317 HydrophobicContact CD2-CD2 4.37Å; F277-L317 HydrophobicContact CD2-CG 3.44Å; F277-L317 VanDerWaalsContact CD2-CG 3.44Å; F277-L317 HydrophobicContact CE1-CD1 3.96Å; F277-L317 HydrophobicContact CE2-CB 4.4Å; F277-L317 HydrophobicContact CE2-CD1 3.79Å; F277-L317 HydrophobicContact CE2-CG 3.82Å; F277-L317 HydrophobicContact CG-CD1 3.71Å; F277-L317 HydrophobicContact CG-CD2 4.36Å; F277-L317 HydrophobicContact CG-CG 3.76Å; F277-L317 HydrophobicContact CZ-CD1 3.92Å; F277-L317 HydrophobicContact CZ-CG 4.46Å; F279-L317 HydrophobicContact CE2-CD1 4.36Å; F279-L317 HydrophobicContact CE2-CD2 4.27Å; A295-L317 HydrophobicContact CB-CD1 4Å; A295-L317 HydrophobicContact CB-CD2 4.47Å; R296-L317 HydrophobicContact CG-CB 4.09Å; R296-L317 HydrophobicContact CG-CD2 3.95Å; W299-L317 HydrophobicContact CB-CB 4.06Å; W299-L317 HydrophobicContact CB-CD1 3.79Å; W299-L317 HydrophobicContact CG-CB 3.93Å; W299-L317 HydrophobicContact CG-CD1 4.05Å; L317-T319 HydrophobicContact CD2-CG2 4.31Å
318	R	97.2	Very high	96.9	Very high	42 Å²	42	40 Å²	40	16%	0.158	20%	0.202	C	C	.	.			trans	-112.5	127.4	176	-58	170	-61.4	150	16.5	107.8	Y66 N227 P273 R274 L275 S276 F277 Q353	Y66-R318 VanDerWaalsContact OH-CD 3.26Å; Y66-R318 WeakPolarHBondContact OH-CD 3.31Å; N227-R318 PolarHBondContact OD1-NH2 3.16Å; P273-R318 PolarHBondContact O-NH1 3.14Å; P273-R318 VanDerWaalsContact O-NH1 3.15Å; P273-R318 PolarHBondContact O-NH2 3.2Å; R274-R318 PolarHBondContact O-NH2 2.78Å; L275-R318 PolarHBondContact O-NE 2.98Å; L275-R318 PolarHBondContact O-NH2 2.83Å; S276-R318 CarbonylContact C-O 3.26Å; S276-R318 WeakPolarHBondContact CA-O 3.49Å; F277-R318 PolarHBondContact N-O 2.86Å; R318-Q353 VanDerWaalsContact CA-OE1 3.31Å
319	T	97.7	Very high	96.7	Very high	2 Å²	2	36 Å²	36	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.6	-168.5	-166	0	0	0	0	114.3	F277 F279 L292 L317 T352 Q353 S354	F277-T319 CarbonylContact O-C 3.55Å; F277-T319 WeakPolarHBondContact O-CA 3.26Å; F277-T319 PolarHBondContact O-OG1 3.27Å; F279-T319 WeakPolarHBondContact CD2-OG1 3.32Å; L292-T319 HydrophobicContact CD2-CG2 4.42Å; L317-T319 HydrophobicContact CD2-CG2 4.31Å; T319-T352 PolarHBondContact O-OG1 3.09Å; T319-Q353 WeakPolarHBondContact O-CA 3.27Å; T319-Q353 WeakPolarHBondContact O-CB 3.33Å; T319-Q353 PolarHBondContact O-N 2.79Å; T319-S354 PolarHBondContact O-N 3.12Å
320	H	96.4	Very high	96.4	Very high	32 Å²	32	36.4 Å²	36.4	15%	0.148	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.7	156.1	-179.6	59.7	0	0	0	109.3	F277 F278 F279 S354 H356	F277-H320 PolarHBondContact O-N 2.99Å; F278-H320 VanDerWaalsContact CA-O 3.29Å; F278-H320 WeakPolarHBondContact CA-O 3.44Å; F278-H320 HydrophobicContact CD2-CB 4.24Å; F278-H320 AromaticContact CD2-CD2 3.44Å; F278-H320 VanDerWaalsContact CD2-CD2 3.44Å; F278-H320 WeakPolarHBondContact CD2-CD2 3.19Å; F278-H320 AromaticContact CE2-CD2 3.43Å; F278-H320 VanDerWaalsContact CE2-CD2 3.43Å; F278-H320 WeakPolarHBondContact CE2-CD2 3.09Å; F279-H320 PolarHBondContact N-O 3.01Å; H320-S354 CarbonylContact C-O 3.46Å; H320-S354 WeakPolarHBondContact CA-O 3.43Å; H320-S354 WeakPolarHBondContact CB-OG 3.47Å; H320-S354 PolarHBondContact ND1-O 2.91Å; H320-S354 VanDerWaalsContact ND1-O 3.14Å; H320-S354 PolarHBondContact ND1-OG 3.09Å; H320-H356 PolarHBondContact CE1-N 3.28Å
321	C	98.3	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.2	168.8	-68.1	0	0	0	0	110.2	F279 M281 A347 T352 S354 L355 H356	F279-C321 VanDerWaalsContact O-CA 3.3Å; F279-C321 WeakPolarHBondContact O-CA 3.41Å; M281-C321 HydrophobicContact CG-CB 3.79Å; M281-C321 HydrophobicContact SD-CB 4.45Å; C321-A347 HydrophobicContact CB-CB 3.95Å; C321-T352 PolarHBondContact N-OG1 2.8Å; C321-T352 VanDerWaalsContact SG-CB 3.6Å; C321-T352 PolarHBondContact SG-OG1 3.15Å; C321-S354 PolarHBondContact N-O 3.26Å; C321-L355 HydrophobicContact CB-CD1 3.9Å; C321-L355 CarbonylContact O-C 3.46Å; C321-L355 WeakPolarHBondContact O-CA 3.4Å; C321-L355 WeakPolarHBondContact O-CD1 3.45Å; C321-H356 PolarHBondContact O-N 3.22Å
322	Q	98.1	Very high	95.9	Very high	18 Å²	18	26.2 Å²	26.2	8%	0.084	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.2	166.7	179.7	170.8	-4.1	0	0	107.9	Y234 F278 F279 G280 M281 H356 N358	Y234-Q322 HydrophobicContact CD2-CB 3.78Å; Y234-Q322 HydrophobicContact CD2-CG 4.23Å; Y234-Q322 HydrophobicContact CE2-CB 3.7Å; Y234-Q322 HydrophobicContact CE2-CG 3.61Å; Y234-Q322 PolarHBondContact OH-NE2 3.14Å; F278-Q322 HydrophobicContact CE2-CB 3.46Å; F278-Q322 VanDerWaalsContact CE2-CB 3.46Å; F278-Q322 HydrophobicContact CZ-CB 3.7Å; F279-Q322 PolarHBondContact O-N 3.27Å; G280-Q322 CarbonylContact C-O 3.49Å; G280-Q322 WeakPolarHBondContact CA-O 3.48Å; M281-Q322 PolarHBondContact N-O 3.05Å; Q322-H356 WeakPolarHBondContact CA-O 3.43Å; Q322-H356 HydrophobicContact CB-CB 3.91Å; Q322-H356 HydrophobicContact CG-CB 3.81Å; Q322-H356 PolarHBondContact NE2-CE1 3.23Å; Q322-N358 WeakPolarHBondContact CG-OD1 3.39Å; Q322-N358 PolarHBondContact NE2-OD1 2.65Å
323	T	98.7	Very high	95.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	147.4	170.8	55.1	0	0	0	0	110	M281 G325 T340 E343 H356 T357 N358	M281-T323 CarbonylContact O-C 3.58Å; M281-T323 WeakPolarHBondContact O-CA 3.46Å; T323-G325 PolarHBondContact O-N 2.9Å; T323-T340 HydrophobicContact CG2-CG2 3.97Å; T323-E343 WeakPolarHBondContact CB-OE2 3.37Å; T323-E343 HydrophobicContact CG2-CB 3.59Å; T323-H356 PolarHBondContact N-O 3.07Å; T323-H356 VanDerWaalsContact N-O 3.15Å; T323-T357 HydrophobicContact CG2-CG2 4.16Å; T323-N358 PolarHBondContact O-ND2 2.91Å; T323-N358 PolarHBondContact O-OD1 3.29Å; T323-N358 PolarHBondContact OG1-N 3.21Å; T323-N358 PolarHBondContact OG1-ND2 2.88Å; T323-N358 PolarHBondContact OG1-OD1 3.12Å
324	S	97.9	Very high	95.8	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.028	12%	0.119	C	C	.	.			trans	-64.1	127.5	-175.2	-177.3	0	0	0	0	110.7	E238 M281 S327 N358	E238-S324 WeakPolarHBondContact OE1-CA 3.15Å; E238-S324 WeakPolarHBondContact OE1-CB 3.46Å; E238-S324 PolarHBondContact OE1-OG 2.85Å; M281-S324 PolarHBondContact O-N 3.09Å; S324-S327 PolarHBondContact O-OG 3.43Å; S324-S327 PolarHBondContact OG-N 3.04Å; S324-N358 PolarHBondContact O-ND2 3.2Å
325	G	93.3	Very high	95.7	Very high	22 Å²	22	26.9 Å²	26.9	23%	0.227	13%	0.128	C	C	.	.	S	Bend	trans	-72.7	-37	172.2	0	0	0	0	0	110.6	E238 T323 S327 L328 N358	E238-G325 VanDerWaalsContact OE2-CA 3.26Å; E238-G325 WeakPolarHBondContact OE2-CA 3.48Å; E238-G325 PolarHBondContact OE2-N 3.48Å; T323-G325 PolarHBondContact O-N 2.9Å; G325-S327 VanDerWaalsContact C-N 3.27Å; G325-S327 PolarHBondContact O-N 3.18Å; G325-L328 WeakPolarHBondContact O-CB 3.3Å; G325-L328 WeakPolarHBondContact O-CG 3.29Å; G325-L328 PolarHBondContact O-N 3.41Å; G325-N358 WeakPolarHBondContact CA-ND2 3.38Å; G325-N358 PolarHBondContact N-ND2 2.81Å
326	W	94.9	Very high	95.7	Very high	78 Å²	78	26 Å²	26	30%	0.295	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.2	177.7	-179.9	83.8	0	0	0	113.9	E238 L328 K445 I449	E238-W326 PolarHBondContact OE2-N 3.46Å; W326-L328 PolarHBondContact O-N 3.44Å; W326-K445 HydrophobicContact CH2-CD 3.77Å; W326-K445 HydrophobicContact CH2-CG 4.28Å; W326-K445 HydrophobicContact CZ2-CD 4.41Å; W326-K445 HydrophobicContact CZ3-CD 4.08Å; W326-I449 HydrophobicContact CH2-CD1 3.61Å; W326-I449 HydrophobicContact CZ2-CD1 3.79Å
327	S	96.6	Very high	95.7	Very high	15 Å²	15	25.8 Å²	25.8	11%	0.105	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.7	176.4	72.2	0	0	0	0	113.7	S324 G325 R339 E343	S324-S327 PolarHBondContact O-OG 3.43Å; S324-S327 PolarHBondContact OG-N 3.04Å; G325-S327 VanDerWaalsContact C-N 3.27Å; G325-S327 PolarHBondContact O-N 3.18Å; S327-R339 VanDerWaalsContact O-CD 3.29Å; S327-R339 WeakPolarHBondContact O-CD 3.35Å; S327-E343 VanDerWaalsContact CB-OE1 3.25Å; S327-E343 WeakPolarHBondContact CB-OE1 3.49Å; S327-E343 PolarHBondContact OG-OE1 3.01Å
328	L	94.9	Very high	95.7	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.063	15%	0.151	C	C	.	.			trans	-76.1	140.3	179.6	-49.8	176.1	0	0	0	110.2	G325 W326 N336 N358 E362 A363	G325-L328 WeakPolarHBondContact O-CB 3.3Å; G325-L328 WeakPolarHBondContact O-CG 3.29Å; G325-L328 PolarHBondContact O-N 3.41Å; W326-L328 PolarHBondContact O-N 3.44Å; L328-N336 WeakPolarHBondContact CA-OD1 3.46Å; L328-N336 HydrophobicContact CD2-CB 3.84Å; L328-N358 HydrophobicContact CD1-CB 3.76Å; L328-E362 HydrophobicContact CD1-CB 3.73Å; L328-A363 HydrophobicContact CB-CB 4.12Å
329	T	93.4	Very high	95.8	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.055	15%	0.147	C	C	.	.			trans	-105.9	140.2	179.8	60.3	0	0	0	0	111	Q331 N336 R339 I456 V459	T329-Q331 VanDerWaalsContact C-N 3.32Å; T329-Q331 WeakPolarHBondContact CB-O 3.19Å; T329-Q331 PolarHBondContact OG1-O 3.37Å; T329-N336 PolarHBondContact N-ND2 3.06Å; T329-N336 PolarHBondContact N-OD1 3.25Å; T329-N336 PolarHBondContact O-ND2 3.03Å; T329-N336 PolarHBondContact OG1-OD1 3.18Å; T329-R339 PolarHBondContact OG1-NH1 2.53Å; T329-I456 HydrophobicContact CG2-CG2 3.61Å; T329-V459 HydrophobicContact CG2-CG2 3.52Å
330	E	90.3	Very high	95.9	Very high	30 Å²	30	29.9 Å²	29.9	14%	0.14	15%	0.148	C	C	.	.	S	Bend	trans	-64	-43.1	165.7	157.2	171.1	-139.6	0	0	109.9	L364 P695	E330-L364 HydrophobicContact CB-CD2 4.12Å; E330-L364 HydrophobicContact CG-CD2 3.65Å; E330-P695 HydrophobicContact CB-CB 4.22Å; E330-P695 VanDerWaalsContact OE2-CD 3.25Å; E330-P695 WeakPolarHBondContact OE2-CD 3.37Å
331	Q	90.7	Very high	96	Very high	39 Å²	39	30.4 Å²	30.4	18%	0.182	15%	0.153	C	C	.	.	S	Bend	trans	-75.9	135.8	-178.8	-56.5	78	9.3	0	0	110.8	T329 G458 V459 P695	T329-Q331 VanDerWaalsContact C-N 3.32Å; T329-Q331 WeakPolarHBondContact CB-O 3.19Å; T329-Q331 PolarHBondContact OG1-O 3.37Å; Q331-G458 WeakPolarHBondContact CB-O 3.34Å; Q331-V459 HydrophobicContact CB-CG2 4.33Å; Q331-P695 PolarHBondContact NE2-O 2.84Å
332	D	92.5	Very high	96	Very high	44 Å²	44	33.1 Å²	33.1	24%	0.235	17%	0.167	C	C	.	.	S	Bend	trans	45	59.7	-179	-166.5	5.6	0	0	0	112.1	Y334 N335 L464	D332-Y334 PolarHBondContact O-N 3.06Å; D332-Y334 VanDerWaalsContact O-N 3.11Å; D332-N335 WeakPolarHBondContact CB-ND2 3.33Å; D332-N335 WeakPolarHBondContact O-CB 3.34Å; D332-N335 PolarHBondContact O-N 3.28Å; D332-N335 PolarHBondContact O-ND2 3.32Å; D332-N335 PolarHBondContact OD2-ND2 3.42Å; D332-L464 HydrophobicContact CB-CD1 3.74Å; D332-L464 HydrophobicContact CB-CG 4.35Å
333	P	92.8	Very high	96	Very high	12 Å²	12	32.2 Å²	32.2	8%	0.078	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.7	-163	28.6	-36.2	0	0	0	112.8	N335 N336 F360 L364 V472	P333-N335 PolarHBondContact O-N 3.33Å; P333-N336 WeakPolarHBondContact O-CB 3.18Å; P333-N336 PolarHBondContact O-N 2.95Å; P333-N336 PolarHBondContact O-ND2 3.08Å; P333-F360 HydrophobicContact CB-CD2 4.21Å; P333-L364 HydrophobicContact CG-CD1 4.45Å; P333-V472 HydrophobicContact CG-CG2 3.59Å
334	Y	95.4	Very high	96	Very high	98 Å²	98	32.2 Å²	32.2	38%	0.384	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.5	172.7	-70.9	-73.7	0	0	0	113	D332 N336 I337 F360	D332-Y334 PolarHBondContact O-N 3.06Å; D332-Y334 VanDerWaalsContact O-N 3.11Å; Y334-N336 PolarHBondContact O-N 3.15Å; Y334-I337 HydrophobicContact CD1-CD1 3.98Å; Y334-I337 WeakPolarHBondContact O-CB 3.49Å; Y334-I337 PolarHBondContact O-N 3.21Å; Y334-I337 VanDerWaalsContact O-N 3.09Å; Y334-F360 HydrophobicContact CD1-CD2 4.4Å; Y334-F360 HydrophobicContact CD1-CE2 4.26Å; Y334-F360 AromaticContact CE1-CE2 4Å; Y334-F360 HydrophobicContact CE1-CE2 4Å; Y334-F360 HydrophobicContact CE1-CZ 4.02Å
335	N	96.6	Very high	96.1	Very high	35 Å²	35	34.8 Å²	34.8	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-25.9	170.2	-71.6	-39.5	0	0	0	112.3	D332 P333 I337 I338 R339	D332-N335 WeakPolarHBondContact CB-ND2 3.33Å; D332-N335 WeakPolarHBondContact O-CB 3.34Å; D332-N335 PolarHBondContact O-N 3.28Å; D332-N335 PolarHBondContact O-ND2 3.32Å; D332-N335 PolarHBondContact OD2-ND2 3.42Å; P333-N335 PolarHBondContact O-N 3.33Å; N335-I337 PolarHBondContact O-N 3.31Å; N335-I338 WeakPolarHBondContact O-CB 3.46Å; N335-I338 PolarHBondContact O-N 2.95Å; N335-R339 PolarHBondContact O-N 3.31Å; N335-R339 VanDerWaalsContact O-N 3.09Å
336	N	97.1	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-27.1	177.5	-62.5	-30.8	0	0	0	112.3	L328 T329 P333 Y334 I338 R339 T340 F360	L328-N336 WeakPolarHBondContact CA-OD1 3.46Å; L328-N336 HydrophobicContact CD2-CB 3.84Å; T329-N336 PolarHBondContact N-ND2 3.06Å; T329-N336 PolarHBondContact N-OD1 3.25Å; T329-N336 PolarHBondContact O-ND2 3.03Å; T329-N336 PolarHBondContact OG1-OD1 3.18Å; P333-N336 WeakPolarHBondContact O-CB 3.18Å; P333-N336 PolarHBondContact O-N 2.95Å; P333-N336 PolarHBondContact O-ND2 3.08Å; Y334-N336 PolarHBondContact O-N 3.15Å; N336-I338 PolarHBondContact O-N 3.34Å; N336-R339 PolarHBondContact O-N 2.96Å; N336-R339 PolarHBondContact OD1-NH1 3.14Å; N336-T340 WeakPolarHBondContact O-CB 3.48Å; N336-T340 PolarHBondContact O-N 3.22Å; N336-T340 PolarHBondContact O-OG1 2.77Å; N336-T340 VanDerWaalsContact O-OG1 3.07Å; N336-F360 HydrophobicContact CB-CB 3.95Å; N336-F360 PolarHBondContact ND2-O 2.72Å
337	I	98.5	Very high	96.6	Very high	48 Å²	48	30 Å²	30	25%	0.246	15%	0.151	C	C	.	.	H	α-helix	trans	-58.4	-42.5	172.9	-59.7	176.5	0	0	0	110.1	Y334 N335 T341 F360 I374	Y334-I337 HydrophobicContact CD1-CD1 3.98Å; Y334-I337 WeakPolarHBondContact O-CB 3.49Å; Y334-I337 PolarHBondContact O-N 3.21Å; Y334-I337 VanDerWaalsContact O-N 3.09Å; N335-I337 PolarHBondContact O-N 3.31Å; I337-T341 WeakPolarHBondContact O-CB 3.47Å; I337-T341 PolarHBondContact O-N 3.15Å; I337-T341 VanDerWaalsContact O-N 3.1Å; I337-T341 PolarHBondContact O-OG1 2.8Å; I337-F360 HydrophobicContact CD1-CD1 4.36Å; I337-F360 HydrophobicContact CD1-CG 4.48Å; I337-F360 HydrophobicContact CG1-CB 3.71Å; I337-F360 HydrophobicContact CG1-CD1 4.29Å; I337-F360 HydrophobicContact CG1-CG 4.15Å; I337-I374 HydrophobicContact CD1-CD1 4.24Å; I337-I374 HydrophobicContact CD1-CG2 4.15Å; I337-I374 HydrophobicContact CG1-CG2 4.14Å; I337-I374 HydrophobicContact CG2-CG2 4.12Å
338	I	98.8	Very high	96.7	Very high	105 Å²	105	29.6 Å²	29.6	54%	0.538	15%	0.147	S	C	.	.	H	α-helix	trans	-71.2	-44.8	179.4	-57.2	166.2	0	0	0	110	N335 N336 T341 I342	N335-I338 WeakPolarHBondContact O-CB 3.46Å; N335-I338 PolarHBondContact O-N 2.95Å; N336-I338 PolarHBondContact O-N 3.34Å; I338-T341 WeakPolarHBondContact O-CB 3.4Å; I338-T341 PolarHBondContact O-N 3.46Å; I338-I342 HydrophobicContact CG2-CD1 4.04Å; I338-I342 WeakPolarHBondContact O-CG1 3.42Å; I338-I342 PolarHBondContact O-N 2.74Å
339	R	98.8	Very high	96.8	Very high	23 Å²	23	30.3 Å²	30.3	9%	0.087	15%	0.15	C	C	.	.	H	α-helix	trans	-56.3	-55.6	177.1	-65.7	-176.2	-178.9	103.2	0	111.5	M283 S327 T329 N335 N336 T341 I342 E343 V457	M283-R339 HydrophobicContact CE-CG 4.26Å; M283-R339 HydrophobicContact SD-CB 3.72Å; M283-R339 HydrophobicContact SD-CG 3.93Å; S327-R339 VanDerWaalsContact O-CD 3.29Å; S327-R339 WeakPolarHBondContact O-CD 3.35Å; T329-R339 PolarHBondContact OG1-NH1 2.53Å; N335-R339 PolarHBondContact O-N 3.31Å; N335-R339 VanDerWaalsContact O-N 3.09Å; N336-R339 PolarHBondContact O-N 2.96Å; N336-R339 PolarHBondContact OD1-NH1 3.14Å; R339-T341 PolarHBondContact O-N 2.84Å; R339-I342 WeakPolarHBondContact O-CB 3.46Å; R339-I342 PolarHBondContact O-N 2.94Å; R339-E343 WeakPolarHBondContact O-CG 3.47Å; R339-E343 PolarHBondContact O-N 3.49Å; R339-V457 PolarHBondContact NH2-O 2.88Å
340	T	98.8	Very high	97.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-59.9	-33.8	179	-60.3	0	0	0	0	112	T323 N336 E343 A344 T357 N358	T323-T340 HydrophobicContact CG2-CG2 3.97Å; N336-T340 WeakPolarHBondContact O-CB 3.48Å; N336-T340 PolarHBondContact O-N 3.22Å; N336-T340 PolarHBondContact O-OG1 2.77Å; N336-T340 VanDerWaalsContact O-OG1 3.07Å; T340-E343 WeakPolarHBondContact CA-OE2 3.4Å; T340-A344 WeakPolarHBondContact O-CB 3.38Å; T340-A344 PolarHBondContact O-N 2.84Å; T340-T357 HydrophobicContact CG2-CG2 3.98Å; T340-N358 WeakPolarHBondContact CG2-O 3.31Å
341	T	98.9	Very high	97.5	Very high	43 Å²	43	28.7 Å²	28.7	26%	0.264	14%	0.143	S	C	.	.	H	α-helix	trans	-65.1	-45.1	174.8	-59.9	0	0	0	0	111.7	I337 I338 R339 A344 M345 T378	I337-T341 WeakPolarHBondContact O-CB 3.47Å; I337-T341 PolarHBondContact O-N 3.15Å; I337-T341 VanDerWaalsContact O-N 3.1Å; I337-T341 PolarHBondContact O-OG1 2.8Å; I338-T341 WeakPolarHBondContact O-CB 3.4Å; I338-T341 PolarHBondContact O-N 3.46Å; R339-T341 PolarHBondContact O-N 2.84Å; T341-A344 PolarHBondContact O-N 3.19Å; T341-M345 HydrophobicContact CG2-SD 4.42Å; T341-M345 VanDerWaalsContact O-CG 3.32Å; T341-M345 WeakPolarHBondContact O-CG 3.48Å; T341-M345 PolarHBondContact O-N 3.19Å; T341-T378 HydrophobicContact CG2-CG2 4.39Å
342	I	98.9	Very high	97.9	Very high	57 Å²	57	26.9 Å²	26.9	29%	0.292	13%	0.134	S	C	.	.	H	α-helix	trans	-63	-45	177.6	-68.3	165	0	0	0	110.8	M283 F285 I338 R339 M345 A346	M283-I342 HydrophobicContact CE-CD1 3.97Å; M283-I342 HydrophobicContact CE-CG2 4.36Å; F285-I342 HydrophobicContact CB-CG2 4.4Å; F285-I342 HydrophobicContact CD2-CG2 4Å; I338-I342 HydrophobicContact CG2-CD1 4.04Å; I338-I342 WeakPolarHBondContact O-CG1 3.42Å; I338-I342 PolarHBondContact O-N 2.74Å; R339-I342 WeakPolarHBondContact O-CB 3.46Å; R339-I342 PolarHBondContact O-N 2.94Å; I342-M345 PolarHBondContact O-N 2.87Å; I342-A346 PolarHBondContact O-N 3.44Å
343	E	98.9	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.1	-42.8	178.2	-67.4	167.6	154	0	0	111.6	M281 M283 T323 S327 R339 T340 M345 A346 A347	M281-E343 HydrophobicContact CB-CB 4.43Å; M281-E343 WeakPolarHBondContact O-CB 3.27Å; M281-E343 WeakPolarHBondContact O-CG 3.44Å; M283-E343 HydrophobicContact SD-CG 3.99Å; T323-E343 WeakPolarHBondContact CB-OE2 3.37Å; T323-E343 HydrophobicContact CG2-CB 3.59Å; S327-E343 VanDerWaalsContact CB-OE1 3.25Å; S327-E343 WeakPolarHBondContact CB-OE1 3.49Å; S327-E343 PolarHBondContact OG-OE1 3.01Å; R339-E343 WeakPolarHBondContact O-CG 3.47Å; R339-E343 PolarHBondContact O-N 3.49Å; T340-E343 WeakPolarHBondContact CA-OE2 3.4Å; E343-M345 VanDerWaalsContact C-N 3.33Å; E343-M345 PolarHBondContact O-N 3.14Å; E343-A346 WeakPolarHBondContact O-CB 3.37Å; E343-A346 PolarHBondContact O-N 2.98Å; E343-A347 PolarHBondContact O-N 2.85Å
344	A	98.9	Very high	98.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60	-43.6	174.5	0	0	0	0	0	111.5	T340 T341 A346 A347 V348 L355 T357 T378 L382	T340-A344 WeakPolarHBondContact O-CB 3.38Å; T340-A344 PolarHBondContact O-N 2.84Å; T341-A344 PolarHBondContact O-N 3.19Å; A344-A346 VanDerWaalsContact C-N 3.33Å; A344-A346 PolarHBondContact O-N 3.44Å; A344-A347 WeakPolarHBondContact O-CB 3.34Å; A344-A347 PolarHBondContact O-N 3.3Å; A344-V348 VanDerWaalsContact O-CG2 3.27Å; A344-V348 WeakPolarHBondContact O-CG2 3.29Å; A344-V348 PolarHBondContact O-N 2.97Å; A344-L355 HydrophobicContact CB-CD2 3.97Å; A344-T357 HydrophobicContact CB-CG2 3.7Å; A344-T378 HydrophobicContact CB-CG2 4.32Å; A344-L382 HydrophobicContact CB-CD1 3.68Å
345	M	98.9	Very high	98.2	Very high	58 Å²	58	21.6 Å²	21.6	29%	0.286	11%	0.112	S	C	.	.	H	α-helix	trans	-61.4	-41.3	175.6	-72.8	175.2	65.8	0	0	111.7	F285 T341 I342 E343 A347 V348 F349 L382 L388	F285-M345 HydrophobicContact CE2-CB 3.86Å; T341-M345 HydrophobicContact CG2-SD 4.42Å; T341-M345 VanDerWaalsContact O-CG 3.32Å; T341-M345 WeakPolarHBondContact O-CG 3.48Å; T341-M345 PolarHBondContact O-N 3.19Å; I342-M345 PolarHBondContact O-N 2.87Å; E343-M345 VanDerWaalsContact C-N 3.33Å; E343-M345 PolarHBondContact O-N 3.14Å; M345-A347 VanDerWaalsContact C-N 3.34Å; M345-A347 PolarHBondContact O-N 2.98Å; M345-V348 PolarHBondContact O-N 3.05Å; M345-F349 HydrophobicContact CB-CD2 4.35Å; M345-F349 HydrophobicContact CB-CE2 4.35Å; M345-F349 HydrophobicContact CE-CE2 3.93Å; M345-F349 WeakPolarHBondContact O-CB 3.37Å; M345-F349 WeakPolarHBondContact O-CD2 3.38Å; M345-F349 WeakPolarHBondContact O-CG 3.32Å; M345-F349 PolarHBondContact O-N 3.46Å; M345-L382 HydrophobicContact CG-CD1 4.3Å; M345-L382 HydrophobicContact CG-CD2 3.66Å; M345-L382 HydrophobicContact SD-CD2 4.43Å; M345-L388 HydrophobicContact CG-CD1 4.4Å
346	A	98.9	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-43.7	175.7	0	0	0	0	0	111.7	F285 E288 I289 I342 E343 A344 V348 F349 G350	F285-A346 HydrophobicContact CD2-CB 3.75Å; F285-A346 HydrophobicContact CE2-CB 4.12Å; F285-A346 HydrophobicContact CG-CB 4.46Å; E288-A346 HydrophobicContact CB-CB 3.97Å; I289-A346 HydrophobicContact CG1-CB 4.31Å; I342-A346 PolarHBondContact O-N 3.44Å; E343-A346 WeakPolarHBondContact O-CB 3.37Å; E343-A346 PolarHBondContact O-N 2.98Å; A344-A346 VanDerWaalsContact C-N 3.33Å; A344-A346 PolarHBondContact O-N 3.44Å; A346-V348 PolarHBondContact O-N 3.04Å; A346-F349 PolarHBondContact O-N 2.86Å; A346-G350 PolarHBondContact O-N 3.29Å
347	A	98.9	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.3	-42.5	176.4	0	0	0	0	0	112.7	M281 C321 E343 A344 M345 G351 T352 L355	M281-A347 HydrophobicContact CG-CB 3.76Å; M281-A347 VanDerWaalsContact SD-CA 3.54Å; M281-A347 HydrophobicContact SD-CB 3.7Å; C321-A347 HydrophobicContact CB-CB 3.95Å; E343-A347 PolarHBondContact O-N 2.85Å; A344-A347 WeakPolarHBondContact O-CB 3.34Å; A344-A347 PolarHBondContact O-N 3.3Å; M345-A347 VanDerWaalsContact C-N 3.34Å; M345-A347 PolarHBondContact O-N 2.98Å; A347-G351 PolarHBondContact O-N 3.45Å; A347-T352 HydrophobicContact CB-CG2 4.16Å; A347-T352 WeakPolarHBondContact O-CB 3.35Å; A347-T352 WeakPolarHBondContact O-CG2 3.4Å; A347-T352 PolarHBondContact O-N 3.44Å; A347-T352 VanDerWaalsContact O-N 3.14Å; A347-L355 HydrophobicContact CB-CD1 3.72Å; A347-L355 HydrophobicContact CB-CD2 4.38Å
348	V	98.8	Very high	98.1	Very high	6 Å²	6	17.9 Å²	17.9	4%	0.036	9%	0.093	C	C	.	.	H	α-helix	trans	-65.2	-51.4	177	171.4	0	0	0	0	110.3	Y70 W75 A344 M345 A346 G350 G351 L355 L382 L388	Y70-V348 HydrophobicContact CD2-CG1 4.45Å; Y70-V348 HydrophobicContact CE2-CG1 3.99Å; Y70-V348 WeakPolarHBondContact CE2-O 3.5Å; W75-V348 HydrophobicContact CD2-CG2 4.07Å; W75-V348 HydrophobicContact CE3-CG1 4.18Å; W75-V348 HydrophobicContact CE3-CG2 3.88Å; W75-V348 HydrophobicContact CH2-CB 4.33Å; W75-V348 HydrophobicContact CH2-CG1 3.95Å; W75-V348 HydrophobicContact CH2-CG2 3.35Å; W75-V348 HydrophobicContact CZ2-CG2 3.53Å; W75-V348 HydrophobicContact CZ3-CB 4.18Å; W75-V348 HydrophobicContact CZ3-CG1 3.53Å; W75-V348 HydrophobicContact CZ3-CG2 3.53Å; A344-V348 VanDerWaalsContact O-CG2 3.27Å; A344-V348 WeakPolarHBondContact O-CG2 3.29Å; A344-V348 PolarHBondContact O-N 2.97Å; M345-V348 PolarHBondContact O-N 3.05Å; A346-V348 PolarHBondContact O-N 3.04Å; V348-G350 VanDerWaalsContact C-N 3.27Å; V348-G350 PolarHBondContact O-N 3.41Å; V348-G351 PolarHBondContact O-N 3.26Å; V348-L355 HydrophobicContact CG2-CD2 4.39Å; V348-L382 HydrophobicContact CG2-CD1 4.49Å; V348-L388 HydrophobicContact CG1-CB 4.38Å; V348-L388 HydrophobicContact CG1-CD1 4.44Å
349	F	98.9	Very high	97.9	Very high	27 Å²	27	13 Å²	13	12%	0.118	7%	0.068	C	C	.	.	H	α-helix	trans	-63.3	-33.4	178.6	-77.6	-52.3	0	0	0	113.2	F285 I289 M345 A346 G351 L388 P394 W395	F285-F349 HydrophobicContact CE2-CD2 4.04Å; F285-F349 HydrophobicContact CE2-CE2 4.39Å; F285-F349 AromaticContact CZ-CD2 3.51Å; F285-F349 HydrophobicContact CZ-CD2 3.51Å; F285-F349 AromaticContact CZ-CE2 3.75Å; F285-F349 HydrophobicContact CZ-CE2 3.75Å; I289-F349 HydrophobicContact CD1-CB 3.73Å; I289-F349 HydrophobicContact CD1-CD2 4.27Å; I289-F349 HydrophobicContact CD1-CG 4.34Å; I289-F349 HydrophobicContact CG1-CB 3.84Å; M345-F349 HydrophobicContact CB-CD2 4.35Å; M345-F349 HydrophobicContact CB-CE2 4.35Å; M345-F349 HydrophobicContact CE-CE2 3.93Å; M345-F349 WeakPolarHBondContact O-CB 3.37Å; M345-F349 WeakPolarHBondContact O-CD2 3.38Å; M345-F349 WeakPolarHBondContact O-CG 3.32Å; M345-F349 PolarHBondContact O-N 3.46Å; A346-F349 PolarHBondContact O-N 2.86Å; F349-G351 PolarHBondContact O-N 3.02Å; F349-L388 HydrophobicContact CE1-CD2 3.52Å; F349-L388 HydrophobicContact CE2-CD2 4.23Å; F349-L388 HydrophobicContact CZ-CD1 4.38Å; F349-L388 HydrophobicContact CZ-CD2 3.28Å; F349-L388 HydrophobicContact CZ-CG 4.43Å; F349-P394 HydrophobicContact CD1-CG 3.56Å; F349-P394 HydrophobicContact CE1-CG 3.68Å; F349-W395 AromaticContact CD1-CD1 3.6Å; F349-W395 AromaticContact CD1-NE1 3.42Å; F349-W395 AromaticContact CD2-NE1 3.64Å; F349-W395 AromaticContact CE1-NE1 3.77Å; F349-W395 AromaticContact CE2-NE1 3.99Å; F349-W395 AromaticContact CG-CD1 3.68Å; F349-W395 AromaticContact CG-NE1 3.33Å; F349-W395 VanDerWaalsContact CG-NE1 3.33Å
350	G	98.7	Very high	97.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.2	173.2	0	0	0	0	0	113.8	L292 R296 A346 V348	L292-G350 WeakPolarHBondContact CB-O 3.26Å; R296-G350 VanDerWaalsContact CZ-O 3.22Å; R296-G350 PolarHBondContact NH1-O 3.19Å; R296-G350 PolarHBondContact NH2-O 3.15Å; A346-G350 PolarHBondContact O-N 3.29Å; V348-G350 VanDerWaalsContact C-N 3.27Å; V348-G350 PolarHBondContact O-N 3.41Å
351	G	98.7	Very high	97.4	Very high	5 Å²	5	12.3 Å²	12.3	5%	0.052	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	39.9	172.1	0	0	0	0	0	114.9	M69 Y70 A347 V348 F349 Q353	M69-G351 WeakPolarHBondContact CE-O 3.25Å; Y70-G351 VanDerWaalsContact OH-CA 3.26Å; Y70-G351 WeakPolarHBondContact OH-CA 3.48Å; A347-G351 PolarHBondContact O-N 3.45Å; V348-G351 PolarHBondContact O-N 3.26Å; F349-G351 PolarHBondContact O-N 3.02Å; G351-Q353 PolarHBondContact O-NE2 3.29Å
352	T	98.7	Very high	96.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.			trans	-61.8	153.8	174.2	-166.4	0	0	0	0	114.6	Y70 W75 T319 C321 A347 S354 L355	Y70-T352 VanDerWaalsContact CE1-O 3.24Å; Y70-T352 WeakPolarHBondContact CE1-O 3.22Å; Y70-T352 VanDerWaalsContact CZ-O 3.28Å; Y70-T352 PolarHBondContact OH-N 3.2Å; Y70-T352 PolarHBondContact OH-O 3.07Å; W75-T352 HydrophobicContact CB-CG2 4.44Å; T319-T352 PolarHBondContact O-OG1 3.09Å; C321-T352 PolarHBondContact N-OG1 2.8Å; C321-T352 VanDerWaalsContact SG-CB 3.6Å; C321-T352 PolarHBondContact SG-OG1 3.15Å; A347-T352 HydrophobicContact CB-CG2 4.16Å; A347-T352 WeakPolarHBondContact O-CB 3.35Å; A347-T352 WeakPolarHBondContact O-CG2 3.4Å; A347-T352 PolarHBondContact O-N 3.44Å; A347-T352 VanDerWaalsContact O-N 3.14Å; T352-S354 PolarHBondContact OG1-O 3.26Å; T352-L355 HydrophobicContact CG2-CB 4.29Å
353	Q	96.3	Very high	96.3	Very high	31 Å²	31	10.5 Å²	10.5	15%	0.145	6%	0.055	C	C	.	.	S	Bend	trans	-94.6	-23.1	177.9	-76.9	62	69.1	0	0	112.7	P65 Y66 W75 T76 R318 T319 G351	P65-Q353 VanDerWaalsContact CG-NE2 3.33Å; Y66-Q353 HydrophobicContact CE2-CG 3.9Å; W75-Q353 WeakPolarHBondContact CA-O 3.46Å; T76-Q353 PolarHBondContact N-O 3.37Å; R318-Q353 VanDerWaalsContact CA-OE1 3.31Å; T319-Q353 WeakPolarHBondContact O-CA 3.27Å; T319-Q353 WeakPolarHBondContact O-CB 3.33Å; T319-Q353 PolarHBondContact O-N 2.79Å; G351-Q353 PolarHBondContact O-NE2 3.29Å
354	S	95.5	Very high	95.7	Very high	13 Å²	13	11.2 Å²	11.2	9%	0.091	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152	173.2	58.8	0	0	0	0	110.3	T76 T319 H320 C321 T352	T76-S354 WeakPolarHBondContact O-CA 3.44Å; T76-S354 VanDerWaalsContact O-CB 3.27Å; T76-S354 WeakPolarHBondContact O-CB 3.38Å; T319-S354 PolarHBondContact O-N 3.12Å; H320-S354 CarbonylContact C-O 3.46Å; H320-S354 WeakPolarHBondContact CA-O 3.43Å; H320-S354 WeakPolarHBondContact CB-OG 3.47Å; H320-S354 PolarHBondContact ND1-O 2.91Å; H320-S354 VanDerWaalsContact ND1-O 3.14Å; H320-S354 PolarHBondContact ND1-OG 3.09Å; C321-S354 PolarHBondContact N-O 3.26Å; T352-S354 PolarHBondContact OG1-O 3.26Å
355	L	96.5	Very high	94.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.7	-172.2	178.6	63.6	0	0	0	111.3	T76 R78 C321 A344 A347 V348 T352 T357 Q379	T76-L355 PolarHBondContact O-N 3.01Å; T76-L355 VanDerWaalsContact O-N 3.07Å; R78-L355 CarbonylContact C-O 3.55Å; R78-L355 PolarHBondContact N-O 3.32Å; C321-L355 HydrophobicContact CB-CD1 3.9Å; C321-L355 CarbonylContact O-C 3.46Å; C321-L355 WeakPolarHBondContact O-CA 3.4Å; C321-L355 WeakPolarHBondContact O-CD1 3.45Å; A344-L355 HydrophobicContact CB-CD2 3.97Å; A347-L355 HydrophobicContact CB-CD1 3.72Å; A347-L355 HydrophobicContact CB-CD2 4.38Å; V348-L355 HydrophobicContact CG2-CD2 4.39Å; T352-L355 HydrophobicContact CG2-CB 4.29Å; L355-T357 HydrophobicContact CD2-CG2 4.09Å; L355-T357 HydrophobicContact CG-CG2 4.19Å; L355-Q379 HydrophobicContact CD2-CG 4.02Å; L355-Q379 HydrophobicContact CG-CG 4.43Å; L355-Q379 PolarHBondContact O-NE2 2.79Å; L355-Q379 PolarHBondContact O-OE1 2.91Å
356	H	96.1	Very high	94	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.3	160.7	177.3	144.7	0	0	0	107.5	R78 Y80 H320 C321 Q322 T323 N358	R78-H356 WeakPolarHBondContact O-CA 3.4Å; R78-H356 WeakPolarHBondContact O-CB 3.26Å; Y80-H356 WeakPolarHBondContact CB-CE1 3.3Å; Y80-H356 WeakPolarHBondContact CB-ND1 3.34Å; Y80-H356 PolarHBondContact N-ND1 2.89Å; H320-H356 PolarHBondContact CE1-N 3.28Å; C321-H356 PolarHBondContact O-N 3.22Å; Q322-H356 WeakPolarHBondContact CA-O 3.43Å; Q322-H356 HydrophobicContact CB-CB 3.91Å; Q322-H356 HydrophobicContact CG-CB 3.81Å; Q322-H356 PolarHBondContact NE2-CE1 3.23Å; T323-H356 PolarHBondContact N-O 3.07Å; T323-H356 VanDerWaalsContact N-O 3.15Å; H356-N358 PolarHBondContact CD2-N 3.41Å; H356-N358 PolarHBondContact CD2-OD1 3.34Å; H356-N358 PolarHBondContact NE2-OD1 2.86Å
357	T	97.8	Very high	93.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.079	C	C	.	.			trans	-109.3	124.2	166.6	39.3	0	0	0	0	109.7	Q79 T323 T340 A344 L355 A375 T378 Q379	Q79-T357 PolarHBondContact NE2-O 3.33Å; Q79-T357 VanDerWaalsContact OE1-N 3.11Å; Q79-T357 PolarHBondContact OE1-OG1 3.41Å; T323-T357 HydrophobicContact CG2-CG2 4.16Å; T340-T357 HydrophobicContact CG2-CG2 3.98Å; A344-T357 HydrophobicContact CB-CG2 3.7Å; L355-T357 HydrophobicContact CD2-CG2 4.09Å; L355-T357 HydrophobicContact CG-CG2 4.19Å; T357-A375 WeakPolarHBondContact O-CB 3.25Å; T357-A375 PolarHBondContact OG1-O 3.31Å; T357-T378 HydrophobicContact CG2-CG2 4.47Å; T357-Q379 HydrophobicContact CG2-CG 3.58Å; T357-Q379 PolarHBondContact OG1-NE2 3.23Å
358	N	95.8	Very high	92.6	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.011	9%	0.087	C	C	.	.			trans	-68.3	159	-177.8	-59.3	-19.7	0	0	0	110.4	Q322 T323 S324 G325 L328 T340 H356 A375	Q322-N358 WeakPolarHBondContact CG-OD1 3.39Å; Q322-N358 PolarHBondContact NE2-OD1 2.65Å; T323-N358 PolarHBondContact O-ND2 2.91Å; T323-N358 PolarHBondContact O-OD1 3.29Å; T323-N358 PolarHBondContact OG1-N 3.21Å; T323-N358 PolarHBondContact OG1-ND2 2.88Å; T323-N358 PolarHBondContact OG1-OD1 3.12Å; S324-N358 PolarHBondContact O-ND2 3.2Å; G325-N358 WeakPolarHBondContact CA-ND2 3.38Å; G325-N358 PolarHBondContact N-ND2 2.81Å; L328-N358 HydrophobicContact CD1-CB 3.76Å; T340-N358 WeakPolarHBondContact CG2-O 3.31Å; H356-N358 PolarHBondContact CD2-N 3.41Å; H356-N358 PolarHBondContact CD2-OD1 3.34Å; H356-N358 PolarHBondContact NE2-OD1 2.86Å; N358-A375 WeakPolarHBondContact O-CB 3.35Å
359	S	94	Very high	91.9	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.021	12%	0.117	C	C	.	.			trans	-85.8	149.3	173.3	-45.7	0	0	0	0	110.1	D361 E362 P367 S371	S359-D361 WeakPolarHBondContact CB-OD1 3.25Å; S359-D361 PolarHBondContact O-N 2.83Å; S359-D361 VanDerWaalsContact O-N 3.09Å; S359-E362 WeakPolarHBondContact CB-OE1 3.38Å; S359-E362 PolarHBondContact N-OE1 3.06Å; S359-E362 PolarHBondContact O-N 2.99Å; S359-E362 PolarHBondContact OG-OE1 2.94Å; S359-P367 WeakPolarHBondContact OG-CB 3.36Å; S359-P367 WeakPolarHBondContact OG-CG 3.44Å; S359-S371 WeakPolarHBondContact CB-OG 3.28Å
360	F	95.1	Very high	91.5	Very high	7 Å²	7	23.1 Å²	23.1	3%	0.031	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.3	-171.8	75.7	-95	0	0	0	113.6	P333 Y334 N336 I337 F370 I374 V472	P333-F360 HydrophobicContact CB-CD2 4.21Å; Y334-F360 HydrophobicContact CD1-CD2 4.4Å; Y334-F360 HydrophobicContact CD1-CE2 4.26Å; Y334-F360 AromaticContact CE1-CE2 4Å; Y334-F360 HydrophobicContact CE1-CE2 4Å; Y334-F360 HydrophobicContact CE1-CZ 4.02Å; N336-F360 HydrophobicContact CB-CB 3.95Å; N336-F360 PolarHBondContact ND2-O 2.72Å; I337-F360 HydrophobicContact CD1-CD1 4.36Å; I337-F360 HydrophobicContact CD1-CG 4.48Å; I337-F360 HydrophobicContact CG1-CB 3.71Å; I337-F360 HydrophobicContact CG1-CD1 4.29Å; I337-F360 HydrophobicContact CG1-CG 4.15Å; F360-F370 AromaticContact CE1-CD1 3.77Å; F360-F370 HydrophobicContact CE1-CD1 3.77Å; F360-F370 AromaticContact CE1-CE1 3.69Å; F360-F370 HydrophobicContact CE1-CE1 3.69Å; F360-F370 HydrophobicContact CZ-CD1 4.02Å; F360-F370 AromaticContact CZ-CE1 3.91Å; F360-F370 HydrophobicContact CZ-CE1 3.91Å; F360-I374 HydrophobicContact CD1-CD1 4.26Å; F360-I374 HydrophobicContact CE1-CD1 4.07Å; F360-V472 HydrophobicContact CE2-CG1 4.05Å; F360-V472 HydrophobicContact CE2-CG2 4.45Å; F360-V472 HydrophobicContact CZ-CG1 4.43Å
361	D	91.2	Very high	91.2	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	4.8	-177.1	52.7	-3.8	0	0	0	113.7	S359 A363 L364 G365 T368 S371 V472	S359-D361 WeakPolarHBondContact CB-OD1 3.25Å; S359-D361 PolarHBondContact O-N 2.83Å; S359-D361 VanDerWaalsContact O-N 3.09Å; D361-A363 VanDerWaalsContact C-N 3.25Å; D361-A363 PolarHBondContact O-N 3.47Å; D361-L364 WeakPolarHBondContact O-CB 3.41Å; D361-L364 PolarHBondContact O-N 3.33Å; D361-G365 PolarHBondContact O-N 2.84Å; D361-T368 PolarHBondContact OD2-N 3.43Å; D361-T368 PolarHBondContact OD2-OG1 3.05Å; D361-S371 WeakPolarHBondContact OD1-CB 3.47Å; D361-S371 PolarHBondContact OD1-OG 2.79Å; D361-S371 WeakPolarHBondContact OD2-CB 3.45Å; D361-S371 PolarHBondContact OD2-OG 3.1Å; D361-V472 HydrophobicContact CB-CG1 4.16Å
362	E	89	Confident	90.8	Very high	50 Å²	50	23.5 Å²	23.5	23%	0.234	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17	-175.4	-76.9	179.8	-147.4	0	0	114.9	L328 S359 L364 G365 P367	L328-E362 HydrophobicContact CD1-CB 3.73Å; S359-E362 WeakPolarHBondContact CB-OE1 3.38Å; S359-E362 PolarHBondContact N-OE1 3.06Å; S359-E362 PolarHBondContact O-N 2.99Å; S359-E362 PolarHBondContact OG-OE1 2.94Å; E362-L364 PolarHBondContact O-N 2.72Å; E362-G365 WeakPolarHBondContact CA-O 3.25Å; E362-P367 HydrophobicContact CG-CG 3.75Å; E362-P367 WeakPolarHBondContact OE1-CG 3.47Å
363	A	87.2	Confident	90.5	Very high	13 Å²	13	28.6 Å²	28.6	11%	0.107	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.1	170.1	0	0	0	0	0	113	L328 D361	L328-A363 HydrophobicContact CB-CB 4.12Å; D361-A363 VanDerWaalsContact C-N 3.25Å; D361-A363 PolarHBondContact O-N 3.47Å
364	L	85.2	Confident	90.5	Very high	14 Å²	14	28.7 Å²	28.7	7%	0.073	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-31.4	-178.3	-64.2	166.1	0	0	0	112.5	E330 P333 D361 E362 V472 V474	E330-L364 HydrophobicContact CB-CD2 4.12Å; E330-L364 HydrophobicContact CG-CD2 3.65Å; P333-L364 HydrophobicContact CG-CD1 4.45Å; D361-L364 WeakPolarHBondContact O-CB 3.41Å; D361-L364 PolarHBondContact O-N 3.33Å; E362-L364 PolarHBondContact O-N 2.72Å; L364-V472 HydrophobicContact CD1-CB 3.9Å; L364-V472 HydrophobicContact CD1-CG1 4.34Å; L364-V472 HydrophobicContact CD1-CG2 4.35Å; L364-V474 HydrophobicContact CB-CG2 3.77Å; L364-V474 WeakPolarHBondContact O-CG1 2.94Å
365	G	81.7	Confident	90.5	Very high	22 Å²	22	28.1 Å²	28.1	23%	0.227	15%	0.152	C	C	.	.	S	Bend	trans	170.2	-155.8	-179.7	0	0	0	0	0	112.6	D361 E362	D361-G365 PolarHBondContact O-N 2.84Å; E362-G365 WeakPolarHBondContact CA-O 3.25Å
366	L	80.7	Confident	90.5	Very high	46 Å²	46	29.4 Å²	29.4	24%	0.241	16%	0.156	C	C	.	.	S	Bend	trans	-73	148	179.8	-66.5	175.9	0	0	0	111.8	T368 L475 V477	L366-T368 PolarHBondContact O-N 3.18Å; L366-L475 HydrophobicContact CB-CB 4.31Å; L366-L475 HydrophobicContact CB-CD2 3.98Å; L366-L475 HydrophobicContact CD1-CD2 4.19Å; L366-V477 HydrophobicContact CD1-CG2 4.2Å
367	P	84.2	Confident	90.5	Very high	36 Å²	36	31.8 Å²	31.8	23%	0.234	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-56.4	136.6	179.6	-28	35.5	0	0	0	114.4	S359 E362 A372	S359-P367 WeakPolarHBondContact OG-CB 3.36Å; S359-P367 WeakPolarHBondContact OG-CG 3.44Å; E362-P367 HydrophobicContact CG-CG 3.75Å; E362-P367 WeakPolarHBondContact OE1-CG 3.47Å; P367-A372 HydrophobicContact CB-CB 4.33Å
368	T	84.6	Confident	90.5	Very high	28 Å²	28	32.4 Å²	32.4	17%	0.172	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-75.6	165.7	165.3	63.4	0	0	0	0	111.7	D361 L366 F370 S371 A372 E473	D361-T368 PolarHBondContact OD2-N 3.43Å; D361-T368 PolarHBondContact OD2-OG1 3.05Å; L366-T368 PolarHBondContact O-N 3.18Å; T368-F370 PolarHBondContact O-N 2.76Å; T368-S371 PolarHBondContact N-OG 2.71Å; T368-S371 PolarHBondContact O-N 2.84Å; T368-S371 PolarHBondContact O-OG 3.26Å; T368-S371 WeakPolarHBondContact OG1-CB 3.41Å; T368-S371 PolarHBondContact OG1-N 2.99Å; T368-S371 PolarHBondContact OG1-OG 2.94Å; T368-A372 WeakPolarHBondContact O-CB 3.13Å; T368-A372 PolarHBondContact O-N 2.75Å; T368-E473 WeakPolarHBondContact CG2-O 3.49Å
369	T	84.5	Confident	90.7	Very high	111 Å²	111	32.3 Å²	32.3	68%	0.681	17%	0.173	S	C	*	.	H	α-helix	trans	-60.7	-32.1	171.3	-62.7	0	0	0	0	111.5	R373	T369-R373 PolarHBondContact O-N 2.97Å
370	F	91	Very high	90.8	Very high	99 Å²	99	34.4 Å²	34.4	43%	0.434	18%	0.183	S	C	.	.	H	α-helix	trans	-68.7	-51.2	178.2	172.9	-103.2	0	0	0	111.7	F360 T368 R373 I374	F360-F370 AromaticContact CE1-CD1 3.77Å; F360-F370 HydrophobicContact CE1-CD1 3.77Å; F360-F370 AromaticContact CE1-CE1 3.69Å; F360-F370 HydrophobicContact CE1-CE1 3.69Å; F360-F370 HydrophobicContact CZ-CD1 4.02Å; F360-F370 AromaticContact CZ-CE1 3.91Å; F360-F370 HydrophobicContact CZ-CE1 3.91Å; T368-F370 PolarHBondContact O-N 2.76Å; F370-R373 VanDerWaalsContact CE2-NH2 3.33Å; F370-R373 WeakPolarHBondContact O-CB 3.31Å; F370-R373 PolarHBondContact O-N 3.37Å; F370-I374 HydrophobicContact CD1-CD1 4.15Å; F370-I374 HydrophobicContact CE1-CD1 3.55Å; F370-I374 HydrophobicContact CE2-CD1 4.19Å; F370-I374 HydrophobicContact CZ-CD1 3.57Å; F370-I374 PolarHBondContact O-N 3.3Å
371	S	92.3	Very high	91	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.8	-39.3	-177.9	70.8	0	0	0	0	112.2	S359 D361 T368 R373 I374 A375	S359-S371 WeakPolarHBondContact CB-OG 3.28Å; D361-S371 WeakPolarHBondContact OD1-CB 3.47Å; D361-S371 PolarHBondContact OD1-OG 2.79Å; D361-S371 WeakPolarHBondContact OD2-CB 3.45Å; D361-S371 PolarHBondContact OD2-OG 3.1Å; T368-S371 PolarHBondContact N-OG 2.71Å; T368-S371 PolarHBondContact O-N 2.84Å; T368-S371 PolarHBondContact O-OG 3.26Å; T368-S371 WeakPolarHBondContact OG1-CB 3.41Å; T368-S371 PolarHBondContact OG1-N 2.99Å; T368-S371 PolarHBondContact OG1-OG 2.94Å; S371-R373 PolarHBondContact O-N 2.97Å; S371-I374 WeakPolarHBondContact O-CB 3.46Å; S371-I374 PolarHBondContact O-N 3.1Å; S371-A375 PolarHBondContact O-N 3.34Å
372	A	90	Very high	91.3	Very high	13 Å²	13	38.2 Å²	38.2	11%	0.107	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-33.5	174.8	0	0	0	0	0	112.7	F92 P367 T368 R376	F92-A372 HydrophobicContact CZ-CB 4.28Å; P367-A372 HydrophobicContact CB-CB 4.33Å; T368-A372 WeakPolarHBondContact O-CB 3.13Å; T368-A372 PolarHBondContact O-N 2.75Å; A372-R376 PolarHBondContact O-N 3.11Å
373	R	92.5	Very high	91.8	Very high	107 Å²	107	36.9 Å²	36.9	40%	0.404	20%	0.197	S	C	.	.	H	α-helix	trans	-67	-43.6	173.5	177.7	-179.1	62.5	82.7	5.2	111.4	T369 F370 S371 N377	T369-R373 PolarHBondContact O-N 2.97Å; F370-R373 VanDerWaalsContact CE2-NH2 3.33Å; F370-R373 WeakPolarHBondContact O-CB 3.31Å; F370-R373 PolarHBondContact O-N 3.37Å; S371-R373 PolarHBondContact O-N 2.97Å; R373-N377 VanDerWaalsContact O-CB 3.29Å; R373-N377 WeakPolarHBondContact O-CB 3.35Å; R373-N377 VanDerWaalsContact O-CG 3.3Å; R373-N377 PolarHBondContact O-N 3.21Å; R373-N377 PolarHBondContact O-OD1 3.47Å
374	I	96.5	Very high	92.3	Very high	32 Å²	32	43.5 Å²	43.5	16%	0.164	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-50.4	177	-69.3	169.1	0	0	0	109.5	I337 F360 F370 S371 R376 N377 T378	I337-I374 HydrophobicContact CD1-CD1 4.24Å; I337-I374 HydrophobicContact CD1-CG2 4.15Å; I337-I374 HydrophobicContact CG1-CG2 4.14Å; I337-I374 HydrophobicContact CG2-CG2 4.12Å; F360-I374 HydrophobicContact CD1-CD1 4.26Å; F360-I374 HydrophobicContact CE1-CD1 4.07Å; F370-I374 HydrophobicContact CD1-CD1 4.15Å; F370-I374 HydrophobicContact CE1-CD1 3.55Å; F370-I374 HydrophobicContact CE2-CD1 4.19Å; F370-I374 HydrophobicContact CZ-CD1 3.57Å; F370-I374 PolarHBondContact O-N 3.3Å; S371-I374 WeakPolarHBondContact O-CB 3.46Å; S371-I374 PolarHBondContact O-N 3.1Å; I374-R376 PolarHBondContact O-N 3.08Å; I374-N377 PolarHBondContact O-N 3.29Å; I374-T378 PolarHBondContact O-N 3.09Å; I374-T378 PolarHBondContact O-OG1 2.86Å
375	A	95.9	Very high	92.9	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	26%	0.255	C	S	.	.	H	α-helix	trans	-52.1	-51.8	177.6	0	0	0	0	0	112	T357 N358 S371 N377 T378	T357-A375 WeakPolarHBondContact O-CB 3.25Å; T357-A375 PolarHBondContact OG1-O 3.31Å; N358-A375 WeakPolarHBondContact O-CB 3.35Å; S371-A375 PolarHBondContact O-N 3.34Å; A375-N377 PolarHBondContact O-N 2.96Å; A375-T378 WeakPolarHBondContact O-CB 3.06Å; A375-T378 PolarHBondContact O-N 3.24Å
376	R	94.8	Very high	93.7	Very high	26 Å²	26	51.3 Å²	51.3	10%	0.098	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-44.9	175.8	-177.5	-177.9	61.9	-125.9	-2.8	112.3	I77 Q79 N96 A372 I374 T378 Q379 I380	I77-R376 HydrophobicContact CG2-CG 4.33Å; Q79-R376 HydrophobicContact CG-CB 4.49Å; N96-R376 PolarHBondContact OD1-NH1 2.76Å; N96-R376 VanDerWaalsContact OD1-NH1 3.17Å; A372-R376 PolarHBondContact O-N 3.11Å; I374-R376 PolarHBondContact O-N 3.08Å; R376-T378 VanDerWaalsContact C-N 3.27Å; R376-T378 PolarHBondContact O-N 2.72Å; R376-Q379 PolarHBondContact O-N 3.34Å; R376-Q379 VanDerWaalsContact O-N 3.15Å; R376-I380 HydrophobicContact CG-CD1 4.01Å; R376-I380 PolarHBondContact O-N 3.33Å
377	N	96.7	Very high	94.5	Very high	52 Å²	52	51 Å²	51	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-67.3	-27.2	-176.7	-78.9	10.3	0	0	0	112.7	R373 I374 A375 Q379 I380 I381	R373-N377 VanDerWaalsContact O-CB 3.29Å; R373-N377 WeakPolarHBondContact O-CB 3.35Å; R373-N377 VanDerWaalsContact O-CG 3.3Å; R373-N377 PolarHBondContact O-N 3.21Å; R373-N377 PolarHBondContact O-OD1 3.47Å; I374-N377 PolarHBondContact O-N 3.29Å; A375-N377 PolarHBondContact O-N 2.96Å; N377-Q379 VanDerWaalsContact C-N 3.26Å; N377-Q379 PolarHBondContact O-N 2.78Å; N377-I380 PolarHBondContact O-N 3.29Å; N377-I380 VanDerWaalsContact O-N 3.17Å; N377-I381 WeakPolarHBondContact O-CB 3.45Å; N377-I381 WeakPolarHBondContact O-CG1 3.16Å; N377-I381 PolarHBondContact O-N 2.76Å
378	T	98.6	Very high	95.2	Very high	14 Å²	14	51.1 Å²	51.1	9%	0.086	27%	0.268	C	S	.	.	H	α-helix	trans	-52.2	-48.5	169.5	-59.4	0	0	0	0	110.4	T341 A344 T357 I374 A375 R376 L382	T341-T378 HydrophobicContact CG2-CG2 4.39Å; A344-T378 HydrophobicContact CB-CG2 4.32Å; T357-T378 HydrophobicContact CG2-CG2 4.47Å; I374-T378 PolarHBondContact O-N 3.09Å; I374-T378 PolarHBondContact O-OG1 2.86Å; A375-T378 WeakPolarHBondContact O-CB 3.06Å; A375-T378 PolarHBondContact O-N 3.24Å; R376-T378 VanDerWaalsContact C-N 3.27Å; R376-T378 PolarHBondContact O-N 2.72Å; T378-L382 HydrophobicContact CG2-CD1 4.47Å; T378-L382 VanDerWaalsContact O-CG 3.24Å; T378-L382 WeakPolarHBondContact O-CG 3.35Å; T378-L382 PolarHBondContact O-N 2.77Å; T378-L382 VanDerWaalsContact O-N 3.15Å
379	Q	98.3	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69	-39.2	177.7	-60.8	-169.7	49.6	0	0	113.1	W75 I77 L355 T357 R376 N377 L382 Q383	W75-Q379 HydrophobicContact CZ2-CB 4.46Å; I77-Q379 HydrophobicContact CD1-CB 4.01Å; I77-Q379 HydrophobicContact CG1-CB 4.06Å; L355-Q379 HydrophobicContact CD2-CG 4.02Å; L355-Q379 HydrophobicContact CG-CG 4.43Å; L355-Q379 PolarHBondContact O-NE2 2.79Å; L355-Q379 PolarHBondContact O-OE1 2.91Å; T357-Q379 HydrophobicContact CG2-CG 3.58Å; T357-Q379 PolarHBondContact OG1-NE2 3.23Å; R376-Q379 PolarHBondContact O-N 3.34Å; R376-Q379 VanDerWaalsContact O-N 3.15Å; N377-Q379 VanDerWaalsContact C-N 3.26Å; N377-Q379 PolarHBondContact O-N 2.78Å; Q379-L382 PolarHBondContact O-N 3.47Å; Q379-Q383 WeakPolarHBondContact O-CG 3.41Å; Q379-Q383 PolarHBondContact O-N 3.12Å
380	I	96.9	Very high	96.5	Very high	47 Å²	47	52 Å²	52	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-45.4	179.6	-64.8	174.5	0	0	0	110.5	I77 R376 N377 L382 Q383 E384	I77-I380 HydrophobicContact CD1-CG1 3.71Å; R376-I380 HydrophobicContact CG-CD1 4.01Å; R376-I380 PolarHBondContact O-N 3.33Å; N377-I380 PolarHBondContact O-N 3.29Å; N377-I380 VanDerWaalsContact O-N 3.17Å; I380-L382 VanDerWaalsContact C-N 3.32Å; I380-L382 PolarHBondContact O-N 3.14Å; I380-Q383 PolarHBondContact O-N 3.09Å; I380-E384 HydrophobicContact CG2-CG 3.9Å; I380-E384 WeakPolarHBondContact O-CB 3.28Å; I380-E384 WeakPolarHBondContact O-CG 3.39Å; I380-E384 PolarHBondContact O-N 2.82Å
381	I	98.7	Very high	96.9	Very high	81 Å²	81	51.5 Å²	51.5	42%	0.415	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-42.4	176.6	-68.9	166.9	0	0	0	110.4	N377 Q383 E385 S386	N377-I381 WeakPolarHBondContact O-CB 3.45Å; N377-I381 WeakPolarHBondContact O-CG1 3.16Å; N377-I381 PolarHBondContact O-N 2.76Å; I381-Q383 PolarHBondContact O-N 3.01Å; I381-E385 HydrophobicContact CG2-CB 4.28Å; I381-E385 PolarHBondContact O-N 3.15Å; I381-S386 PolarHBondContact O-N 3.45Å; I381-S386 VanDerWaalsContact O-N 3.13Å
382	L	98.6	Very high	97.2	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-31.6	173.6	-66.4	175.6	0	0	0	112.4	W75 A344 M345 V348 T378 Q379 I380 S386 L388 P389	W75-L382 HydrophobicContact CH2-CB 3.87Å; W75-L382 HydrophobicContact CZ2-CB 4.09Å; A344-L382 HydrophobicContact CB-CD1 3.68Å; M345-L382 HydrophobicContact CG-CD1 4.3Å; M345-L382 HydrophobicContact CG-CD2 3.66Å; M345-L382 HydrophobicContact SD-CD2 4.43Å; V348-L382 HydrophobicContact CG2-CD1 4.49Å; T378-L382 HydrophobicContact CG2-CD1 4.47Å; T378-L382 VanDerWaalsContact O-CG 3.24Å; T378-L382 WeakPolarHBondContact O-CG 3.35Å; T378-L382 PolarHBondContact O-N 2.77Å; T378-L382 VanDerWaalsContact O-N 3.15Å; Q379-L382 PolarHBondContact O-N 3.47Å; I380-L382 VanDerWaalsContact C-N 3.32Å; I380-L382 PolarHBondContact O-N 3.14Å; L382-S386 PolarHBondContact O-OG 2.82Å; L382-L388 HydrophobicContact CD2-CD1 3.85Å; L382-P389 WeakPolarHBondContact O-CD 3.3Å
383	Q	98.2	Very high	97.6	Very high	21 Å²	21	52.6 Å²	52.6	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-79.6	-46.4	177.7	-72.2	-176.2	-2.4	0	0	113.3	P74 W75 Q379 I380 I381	P74-Q383 HydrophobicContact CB-CG 3.9Å; P74-Q383 HydrophobicContact CG-CG 4.28Å; W75-Q383 HydrophobicContact CH2-CG 3.52Å; W75-Q383 HydrophobicContact CZ2-CG 3.53Å; W75-Q383 HydrophobicContact CZ3-CG 4.06Å; W75-Q383 PolarHBondContact O-NE2 3.16Å; Q379-Q383 WeakPolarHBondContact O-CG 3.41Å; Q379-Q383 PolarHBondContact O-N 3.12Å; I380-Q383 PolarHBondContact O-N 3.09Å; I381-Q383 PolarHBondContact O-N 3.01Å
384	E	97.8	Very high	97.9	Very high	152 Å²	152	50.5 Å²	50.5	71%	0.71	27%	0.273	S	S	*	.	H	α-helix	trans	-97.1	-33.2	-163.3	-60.5	-81.6	-178.6	0	0	112.7	I380	I380-E384 HydrophobicContact CG2-CG 3.9Å; I380-E384 WeakPolarHBondContact O-CB 3.28Å; I380-E384 WeakPolarHBondContact O-CG 3.39Å; I380-E384 PolarHBondContact O-N 2.82Å
385	E	98.7	Very high	98	Very high	149 Å²	149	52.3 Å²	52.3	70%	0.696	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-33.3	-169.5	-61.6	-178.4	-148.5	0	0	113.2	I381 G387	I381-E385 HydrophobicContact CG2-CB 4.28Å; I381-E385 PolarHBondContact O-N 3.15Å; E385-G387 VanDerWaalsContact C-N 3.34Å; E385-G387 PolarHBondContact O-N 2.87Å
386	S	98.5	Very high	98	Very high	52 Å²	52	53.1 Å²	53.1	36%	0.364	29%	0.287	S	S	.	.	S	Bend	trans	-74.4	-19.1	-169.4	79.2	0	0	0	0	115.4	I381 L382 L388	I381-S386 PolarHBondContact O-N 3.45Å; I381-S386 VanDerWaalsContact O-N 3.13Å; L382-S386 PolarHBondContact O-OG 2.82Å; S386-L388 PolarHBondContact O-N 3.33Å; S386-L388 WeakPolarHBondContact OG-CB 3.43Å; S386-L388 WeakPolarHBondContact OG-CG 3.24Å; S386-L388 PolarHBondContact OG-N 3.37Å; S386-L388 VanDerWaalsContact OG-N 3.09Å
387	G	98.1	Very high	98.1	Very high	40 Å²	40	54.2 Å²	54.2	41%	0.412	31%	0.306	S	S	.	.			trans	71.7	-5.2	-171.3	0	0	0	0	0	115.4	E385 P389 K390	E385-G387 VanDerWaalsContact C-N 3.34Å; E385-G387 PolarHBondContact O-N 2.87Å; G387-P389 VanDerWaalsContact C-CD 3.42Å; G387-P389 VanDerWaalsContact C-N 3.34Å; G387-K390 WeakPolarHBondContact O-CB 3.46Å; G387-K390 VanDerWaalsContact O-CG 3.32Å; G387-K390 WeakPolarHBondContact O-CG 3.46Å; G387-K390 PolarHBondContact O-N 3.14Å; G387-K390 VanDerWaalsContact O-N 3.08Å
388	L	97.8	Very high	98.2	Very high	37 Å²	37	53.4 Å²	53.4	19%	0.194	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-53.2	-40.1	-178.8	-65.6	179.1	0	0	0	114.4	M345 V348 F349 L382 S386 K390	M345-L388 HydrophobicContact CG-CD1 4.4Å; V348-L388 HydrophobicContact CG1-CB 4.38Å; V348-L388 HydrophobicContact CG1-CD1 4.44Å; F349-L388 HydrophobicContact CE1-CD2 3.52Å; F349-L388 HydrophobicContact CE2-CD2 4.23Å; F349-L388 HydrophobicContact CZ-CD1 4.38Å; F349-L388 HydrophobicContact CZ-CD2 3.28Å; F349-L388 HydrophobicContact CZ-CG 4.43Å; L382-L388 HydrophobicContact CD2-CD1 3.85Å; S386-L388 PolarHBondContact O-N 3.33Å; S386-L388 WeakPolarHBondContact OG-CB 3.43Å; S386-L388 WeakPolarHBondContact OG-CG 3.24Å; S386-L388 PolarHBondContact OG-N 3.37Å; S386-L388 VanDerWaalsContact OG-N 3.09Å; L388-K390 PolarHBondContact O-N 2.71Å
389	P	98.6	Very high	98.1	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.039	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65.7	-10	-179.4	-26.3	38.4	0	0	0	115.3	Y70 T71 W75 L382 G387 V391	Y70-P389 CarbonylContact C-O 3.36Å; Y70-P389 VanDerWaalsContact C-O 3.23Å; T71-P389 WeakPolarHBondContact CA-O 3.46Å; T71-P389 PolarHBondContact N-O 2.98Å; W75-P389 HydrophobicContact CZ3-CG 4.21Å; L382-P389 WeakPolarHBondContact O-CD 3.3Å; G387-P389 VanDerWaalsContact C-CD 3.42Å; G387-P389 VanDerWaalsContact C-N 3.34Å; P389-V391 PolarHBondContact O-N 2.82Å
390	K	98.4	Very high	98.1	Very high	151 Å²	151	58.6 Å²	58.6	66%	0.657	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-82.5	-9.3	-168.3	-55.9	-57.6	-179.1	-173.4	0	114.5	G387 L388	G387-K390 WeakPolarHBondContact O-CB 3.46Å; G387-K390 VanDerWaalsContact O-CG 3.32Å; G387-K390 WeakPolarHBondContact O-CG 3.46Å; G387-K390 PolarHBondContact O-N 3.14Å; G387-K390 VanDerWaalsContact O-N 3.08Å; L388-K390 PolarHBondContact O-N 2.71Å
391	V	98.7	Very high	98.2	Very high	90 Å²	90	56.3 Å²	56.3	55%	0.545	31%	0.313	S	S	.	.	S	Bend	trans	-132.6	131	176.5	-178.7	0	0	0	0	109.8	P389 P394	P389-V391 PolarHBondContact O-N 2.82Å; V391-P394 HydrophobicContact CB-CB 4.37Å; V391-P394 HydrophobicContact CG1-CB 4.15Å
392	A	98.6	Very high	98.1	Very high	24 Å²	24	53 Å²	53	20%	0.198	30%	0.296	C	S	.	.	S	Bend	trans	-79.9	131.4	176.4	0	0	0	0	0	111.1	P56 M69	P56-A392 HydrophobicContact CG-CB 4.27Å; M69-A392 HydrophobicContact CB-CB 3.97Å; M69-A392 HydrophobicContact CG-CB 4.1Å
393	D	98.5	Very high	98	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.059	29%	0.293	C	S	.	.	S	Bend	trans	41.5	63.2	-176.8	-170	47.8	0	0	0	113.1	R63 R293 W395 G396	R63-D393 HydrophobicContact CB-CB 3.87Å; R63-D393 WeakPolarHBondContact CB-OD2 3.21Å; R63-D393 WeakPolarHBondContact CD-OD2 3.36Å; R63-D393 HydrophobicContact CG-CB 4.49Å; R63-D393 WeakPolarHBondContact CG-OD2 3.41Å; R63-D393 IonicContact CZ-OD2 2.98Å; R63-D393 IonicContact NE-OD2 3.15Å; R63-D393 PolarHBondContact NE-OD2 2.82Å; R63-D393 PolarHBondContact NH2-O 2.74Å; R63-D393 IonicContact NH2-OD2 2.69Å; R63-D393 WeakPolarHBondContact O-CB 3.34Å; R293-D393 IonicContact CZ-OD2 3.92Å; R293-D393 IonicContact NE-OD1 2.76Å; R293-D393 PolarHBondContact NE-OD1 2.8Å; R293-D393 IonicContact NE-OD2 3.66Å; R293-D393 IonicContact NH2-OD2 3.77Å; R293-D393 PolarHBondContact NH2-OD2 2.85Å; D393-W395 PolarHBondContact O-N 2.78Å; D393-G396 PolarHBondContact O-N 3.07Å; D393-G396 WeakPolarHBondContact OD2-CA 3.49Å
394	P	98.4	Very high	98	Very high	63 Å²	63	51.5 Å²	51.5	41%	0.409	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.6	-173.1	28.3	-36.4	0	0	0	113.3	F349 V391	F349-P394 HydrophobicContact CD1-CG 3.56Å; F349-P394 HydrophobicContact CE1-CG 3.68Å; V391-P394 HydrophobicContact CB-CB 4.37Å; V391-P394 HydrophobicContact CG1-CB 4.15Å
395	W	98.4	Very high	97.9	Very high	70 Å²	70	44.2 Å²	44.2	27%	0.265	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.7	174.4	-72.9	100.1	0	0	0	114.1	F285 Y286 F349 D393 G397 S398 I401	F285-W395 HydrophobicContact CE1-CZ2 4.03Å; Y286-W395 HydrophobicContact CE1-CH2 4.15Å; F349-W395 AromaticContact CD1-CD1 3.6Å; F349-W395 AromaticContact CD1-NE1 3.42Å; F349-W395 AromaticContact CD2-NE1 3.64Å; F349-W395 AromaticContact CE1-NE1 3.77Å; F349-W395 AromaticContact CE2-NE1 3.99Å; F349-W395 AromaticContact CG-CD1 3.68Å; F349-W395 AromaticContact CG-NE1 3.33Å; F349-W395 VanDerWaalsContact CG-NE1 3.33Å; D393-W395 PolarHBondContact O-N 2.78Å; W395-G397 PolarHBondContact O-N 3.44Å; W395-S398 WeakPolarHBondContact O-CB 3.35Å; W395-S398 PolarHBondContact O-N 2.95Å; W395-I401 HydrophobicContact CB-CB 4.35Å; W395-I401 HydrophobicContact CB-CG1 4.15Å; W395-I401 HydrophobicContact CB-CG2 4.14Å; W395-I401 HydrophobicContact CD2-CG1 4.01Å; W395-I401 HydrophobicContact CE3-CG1 3.64Å; W395-I401 HydrophobicContact CG-CG1 4.26Å; W395-I401 HydrophobicContact CZ3-CG1 4.35Å
396	G	97.7	Very high	97.8	Very high	20 Å²	20	38 Å²	38	21%	0.206	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	128.4	-179.3	0	0	0	0	0	111.5	D393 E402	D393-G396 PolarHBondContact O-N 3.07Å; D393-G396 WeakPolarHBondContact OD2-CA 3.49Å; G396-E402 WeakPolarHBondContact CA-OE1 3.15Å
397	G	96.3	Very high	97.7	Very high	49 Å²	49	36.5 Å²	36.5	51%	0.505	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-10.2	-170.1	0	0	0	0	0	115.2	W395 Y399 E402	W395-G397 PolarHBondContact O-N 3.44Å; G397-Y399 PolarHBondContact O-N 2.85Å; G397-E402 PolarHBondContact N-OE1 2.95Å
398	S	98.2	Very high	97.7	Very high	34 Å²	34	34.6 Å²	34.6	24%	0.238	19%	0.194	C	C	.	.			trans	-62.1	125.2	170.8	170.8	0	0	0	0	110.5	W395 L400 I401 E402	W395-S398 WeakPolarHBondContact O-CB 3.35Å; W395-S398 PolarHBondContact O-N 2.95Å; S398-L400 PolarHBondContact O-N 2.81Å; S398-I401 PolarHBondContact O-N 3.37Å; S398-E402 WeakPolarHBondContact O-CB 3.46Å; S398-E402 WeakPolarHBondContact O-CG 3.47Å; S398-E402 PolarHBondContact O-N 3.48Å
399	Y	97.7	Very high	97.7	Very high	96 Å²	96	33.1 Å²	33.1	38%	0.376	19%	0.186	S	C	.	.	H	α-helix	trans	-56.4	-40.2	-178.2	-50.3	-39.2	0	0	0	112.6	Y43 T44 M45 V48 G397 S403	Y43-Y399 WeakPolarHBondContact O-CD2 3.43Å; T44-Y399 VanDerWaalsContact C-CG 3.5Å; M45-Y399 HydrophobicContact CB-CE1 4.34Å; V48-Y399 HydrophobicContact CG1-CD1 4.13Å; V48-Y399 HydrophobicContact CG2-CD1 3.59Å; V48-Y399 HydrophobicContact CG2-CE1 3.97Å; G397-Y399 PolarHBondContact O-N 2.85Å; Y399-S403 WeakPolarHBondContact O-CB 3.41Å; Y399-S403 PolarHBondContact O-N 2.92Å
400	L	97.6	Very high	97.6	Very high	27 Å²	27	33.7 Å²	33.7	14%	0.141	19%	0.191	C	C	.	.	H	α-helix	trans	-66.8	-55	176.6	167.1	61	0	0	0	111.5	M39 Y43 Y286 S398 E402 S403 L404	M39-L400 HydrophobicContact CE-CD1 3.7Å; M39-L400 HydrophobicContact CE-CD2 3.96Å; M39-L400 HydrophobicContact CE-CG 4.48Å; Y43-L400 HydrophobicContact CD2-CB 3.94Å; Y43-L400 HydrophobicContact CD2-CD1 3.63Å; Y43-L400 HydrophobicContact CD2-CG 4.36Å; Y43-L400 HydrophobicContact CE2-CB 4.49Å; Y43-L400 HydrophobicContact CE2-CD1 3.3Å; Y43-L400 HydrophobicContact CE2-CG 4.45Å; Y43-L400 HydrophobicContact CG-CB 4.2Å; Y43-L400 HydrophobicContact CG-CD1 4.4Å; Y286-L400 HydrophobicContact CD1-CD2 4.02Å; Y286-L400 HydrophobicContact CD2-CD2 4.19Å; Y286-L400 HydrophobicContact CE1-CD2 4.22Å; Y286-L400 HydrophobicContact CE2-CD2 4.38Å; Y286-L400 HydrophobicContact CG-CD2 3.99Å; S398-L400 PolarHBondContact O-N 2.81Å; L400-E402 PolarHBondContact O-N 3.42Å; L400-S403 PolarHBondContact O-N 3.26Å; L400-L404 HydrophobicContact CD1-CB 4.48Å; L400-L404 WeakPolarHBondContact O-CB 3.13Å; L400-L404 PolarHBondContact O-N 2.98Å
401	I	98.1	Very high	97.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.1	-36.8	-170	-63.9	-65.5	0	0	0	111.1	Y286 I289 W395 S398 T405	Y286-I401 HydrophobicContact CD1-CD1 4.01Å; I289-I401 HydrophobicContact CB-CD1 4.41Å; I289-I401 HydrophobicContact CG2-CD1 4.26Å; I289-I401 HydrophobicContact CG2-CG2 4.06Å; W395-I401 HydrophobicContact CB-CB 4.35Å; W395-I401 HydrophobicContact CB-CG1 4.15Å; W395-I401 HydrophobicContact CB-CG2 4.14Å; W395-I401 HydrophobicContact CD2-CG1 4.01Å; W395-I401 HydrophobicContact CE3-CG1 3.64Å; W395-I401 HydrophobicContact CG-CG1 4.26Å; W395-I401 HydrophobicContact CZ3-CG1 4.35Å; S398-I401 PolarHBondContact O-N 3.37Å; I401-T405 VanDerWaalsContact O-CB 3.25Å; I401-T405 WeakPolarHBondContact O-CB 3.41Å; I401-T405 PolarHBondContact O-N 2.85Å; I401-T405 PolarHBondContact O-OG1 3.14Å
402	E	97.6	Very high	97.5	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-67.9	-44.9	176.1	-61	-63.8	177.7	0	0	112.2	V48 V51 R293 G396 G397 S398 L400 T405 N406	V48-E402 HydrophobicContact CG1-CB 3.77Å; V48-E402 HydrophobicContact CG1-CG 4.4Å; V51-E402 HydrophobicContact CG1-CB 4.24Å; V51-E402 HydrophobicContact CG1-CG 4.13Å; V51-E402 HydrophobicContact CG2-CB 3.86Å; R293-E402 IonicContact CZ-OE1 3.37Å; R293-E402 IonicContact CZ-OE2 2.86Å; R293-E402 IonicContact NH1-OE1 3.82Å; R293-E402 IonicContact NH1-OE2 3.84Å; R293-E402 PolarHBondContact NH1-OE2 3.21Å; R293-E402 IonicContact NH2-OE1 2.99Å; R293-E402 PolarHBondContact NH2-OE1 3.3Å; R293-E402 IonicContact NH2-OE2 3.19Å; R293-E402 PolarHBondContact NH2-OE2 3.36Å; G396-E402 WeakPolarHBondContact CA-OE1 3.15Å; G397-E402 PolarHBondContact N-OE1 2.95Å; S398-E402 WeakPolarHBondContact O-CB 3.46Å; S398-E402 WeakPolarHBondContact O-CG 3.47Å; S398-E402 PolarHBondContact O-N 3.48Å; L400-E402 PolarHBondContact O-N 3.42Å; E402-T405 PolarHBondContact O-N 3.01Å; E402-N406 VanDerWaalsContact O-CG 3.27Å; E402-N406 PolarHBondContact O-N 3.04Å; E402-N406 PolarHBondContact O-ND2 3.23Å
403	S	96.6	Very high	97.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-49.5	174.6	-173.4	0	0	0	0	110.9	Y4 Y43 Y399 L400 T405 N406 E407	Y4-S403 WeakPolarHBondContact OH-CB 3.33Å; Y4-S403 PolarHBondContact OH-OG 3.3Å; Y43-S403 WeakPolarHBondContact CE1-OG 3.3Å; Y399-S403 WeakPolarHBondContact O-CB 3.41Å; Y399-S403 PolarHBondContact O-N 2.92Å; L400-S403 PolarHBondContact O-N 3.26Å; S403-T405 VanDerWaalsContact C-N 3.3Å; S403-T405 PolarHBondContact O-N 3.35Å; S403-N406 WeakPolarHBondContact O-CA 3.44Å; S403-N406 WeakPolarHBondContact O-CB 3.5Å; S403-N406 PolarHBondContact O-N 3.36Å; S403-E407 WeakPolarHBondContact O-CG 3.22Å; S403-E407 PolarHBondContact O-N 2.95Å; S403-E407 PolarHBondContact OG-OE1 3.37Å
404	L	97	Very high	97.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-37.5	-178.4	-170.8	60.7	0	0	0	111.9	I37 M287 A290 L400 E407 L408	I37-L404 HydrophobicContact CD1-CD1 4.25Å; I37-L404 HydrophobicContact CG2-CD1 4Å; M287-L404 HydrophobicContact CE-CD1 3.84Å; M287-L404 HydrophobicContact SD-CD1 4.14Å; M287-L404 HydrophobicContact SD-CD2 4.43Å; M287-L404 HydrophobicContact SD-CG 4.32Å; A290-L404 HydrophobicContact CB-CB 4.14Å; A290-L404 HydrophobicContact CB-CD2 3.96Å; A290-L404 HydrophobicContact CB-CG 3.76Å; L400-L404 HydrophobicContact CD1-CB 4.48Å; L400-L404 WeakPolarHBondContact O-CB 3.13Å; L400-L404 PolarHBondContact O-N 2.98Å; L404-E407 PolarHBondContact O-N 3.31Å; L404-L408 VanDerWaalsContact O-CB 3.29Å; L404-L408 WeakPolarHBondContact O-CB 3.5Å; L404-L408 PolarHBondContact O-N 3Å
405	T	97.6	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-42.6	173	-58	0	0	0	0	110.9	R293 A294 I401 E402 S403 C409	R293-T405 HydrophobicContact CB-CG2 3.79Å; R293-T405 PolarHBondContact NH1-OG1 3.49Å; A294-T405 HydrophobicContact CB-CG2 4.11Å; I401-T405 VanDerWaalsContact O-CB 3.25Å; I401-T405 WeakPolarHBondContact O-CB 3.41Å; I401-T405 PolarHBondContact O-N 2.85Å; I401-T405 PolarHBondContact O-OG1 3.14Å; E402-T405 PolarHBondContact O-N 3.01Å; S403-T405 VanDerWaalsContact C-N 3.3Å; S403-T405 PolarHBondContact O-N 3.35Å; T405-C409 WeakPolarHBondContact O-CB 3.42Å; T405-C409 PolarHBondContact O-N 3.28Å; T405-C409 PolarHBondContact O-SG 3.14Å
406	N	96.3	Very high	97.3	Very high	19 Å²	19	22.4 Å²	22.4	10%	0.102	13%	0.129	C	C	.	.	H	α-helix	trans	-67	-43.8	177.8	-68.2	-21.5	0	0	0	112.6	Y4 R297 E402 S403 C409 S410	Y4-N406 HydrophobicContact CD1-CB 4.09Å; Y4-N406 HydrophobicContact CD2-CB 3.6Å; Y4-N406 HydrophobicContact CE1-CB 4.4Å; Y4-N406 HydrophobicContact CE2-CB 3.96Å; Y4-N406 HydrophobicContact CG-CB 3.66Å; R297-N406 PolarHBondContact NH1-OD1 3.33Å; E402-N406 VanDerWaalsContact O-CG 3.27Å; E402-N406 PolarHBondContact O-N 3.04Å; E402-N406 PolarHBondContact O-ND2 3.23Å; S403-N406 WeakPolarHBondContact O-CA 3.44Å; S403-N406 WeakPolarHBondContact O-CB 3.5Å; S403-N406 PolarHBondContact O-N 3.36Å; N406-C409 WeakPolarHBondContact O-CB 3.39Å; N406-C409 PolarHBondContact O-N 2.79Å; N406-S410 PolarHBondContact O-N 2.85Å
407	E	96.2	Very high	97.3	Very high	20 Å²	20	26.6 Å²	26.6	9%	0.093	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-48.3	177.6	-70.6	175.8	-104.6	0	0	110.4	Y4 I37 S403 L404 C409 S410 V411	Y4-E407 HydrophobicContact CD1-CB 4.42Å; Y4-E407 HydrophobicContact CD1-CG 3.38Å; Y4-E407 HydrophobicContact CE1-CG 3.36Å; I37-E407 HydrophobicContact CD1-CB 4.05Å; I37-E407 HydrophobicContact CG1-CB 4.33Å; I37-E407 HydrophobicContact CG2-CB 4.2Å; I37-E407 WeakPolarHBondContact CG2-OE2 3.42Å; S403-E407 WeakPolarHBondContact O-CG 3.22Å; S403-E407 PolarHBondContact O-N 2.95Å; S403-E407 PolarHBondContact OG-OE1 3.37Å; L404-E407 PolarHBondContact O-N 3.31Å; E407-C409 PolarHBondContact O-N 2.92Å; E407-S410 WeakPolarHBondContact O-CB 3.34Å; E407-S410 PolarHBondContact O-N 3.23Å; E407-V411 WeakPolarHBondContact O-CG2 3.37Å; E407-V411 PolarHBondContact O-N 2.8Å
408	L	97.3	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-38.7	177.9	-168.2	64.2	0	0	0	112.2	E35 I37 A244 L247 M287 K291 A294 L404 S410 V411 A412	E35-L408 HydrophobicContact CG-CD1 4.46Å; I37-L408 HydrophobicContact CD1-CB 4.18Å; I37-L408 HydrophobicContact CD1-CD1 4.08Å; A244-L408 HydrophobicContact CB-CD1 3.84Å; L247-L408 HydrophobicContact CD2-CD2 4.07Å; L247-L408 HydrophobicContact CD2-CG 3.86Å; M287-L408 HydrophobicContact SD-CD1 4.1Å; M287-L408 HydrophobicContact SD-CD2 4.07Å; K291-L408 VanDerWaalsContact CA-CD2 3.47Å; K291-L408 HydrophobicContact CB-CD2 3.89Å; K291-L408 HydrophobicContact CG-CD2 4.35Å; A294-L408 HydrophobicContact CB-CD2 4.35Å; L404-L408 VanDerWaalsContact O-CB 3.29Å; L404-L408 WeakPolarHBondContact O-CB 3.5Å; L404-L408 PolarHBondContact O-N 3Å; L408-S410 VanDerWaalsContact C-N 3.27Å; L408-S410 PolarHBondContact O-N 3.34Å; L408-V411 PolarHBondContact O-N 3.48Å; L408-A412 VanDerWaalsContact O-CB 3.29Å; L408-A412 WeakPolarHBondContact O-CB 2.97Å; L408-A412 PolarHBondContact O-N 3.42Å
409	C	97.5	Very high	97.3	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.034	12%	0.124	C	C	.	.	H	α-helix	trans	-57	-41.1	170.1	-79	0	0	0	0	112	A294 L298 T405 N406 E407 S413	A294-C409 VanDerWaalsContact CB-SG 3.54Å; L298-C409 HydrophobicContact CD2-CB 3.99Å; L298-C409 HydrophobicContact CG-CB 4.44Å; T405-C409 WeakPolarHBondContact O-CB 3.42Å; T405-C409 PolarHBondContact O-N 3.28Å; T405-C409 PolarHBondContact O-SG 3.14Å; N406-C409 WeakPolarHBondContact O-CB 3.39Å; N406-C409 PolarHBondContact O-N 2.79Å; E407-C409 PolarHBondContact O-N 2.92Å; C409-S413 WeakPolarHBondContact O-CB 3.44Å; C409-S413 PolarHBondContact O-N 2.85Å; C409-S413 PolarHBondContact O-OG 3.16Å
410	S	96.3	Very high	97.3	Very high	19 Å²	19	24.6 Å²	24.6	13%	0.133	12%	0.117	C	C	.	.	H	α-helix	trans	-67.6	-48.7	-179.9	-172	0	0	0	0	111.7	N406 E407 L408 S413 K414	N406-S410 PolarHBondContact O-N 2.85Å; E407-S410 WeakPolarHBondContact O-CB 3.34Å; E407-S410 PolarHBondContact O-N 3.23Å; L408-S410 VanDerWaalsContact C-N 3.27Å; L408-S410 PolarHBondContact O-N 3.34Å; S410-S413 PolarHBondContact O-N 2.6Å; S410-K414 WeakPolarHBondContact O-CG 3.25Å; S410-K414 PolarHBondContact O-N 3.17Å; S410-K414 VanDerWaalsContact O-N 3.16Å
411	V	96.8	Very high	97.2	Very high	39 Å²	39	31.3 Å²	31.3	24%	0.236	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-50.6	178.9	179.4	0	0	0	0	110.7	I37 A244 E407 L408 S413 K414 I415	I37-V411 HydrophobicContact CD1-CG2 4.47Å; I37-V411 HydrophobicContact CG1-CG2 4.1Å; A244-V411 HydrophobicContact CB-CB 4.42Å; A244-V411 HydrophobicContact CB-CG1 3.7Å; E407-V411 WeakPolarHBondContact O-CG2 3.37Å; E407-V411 PolarHBondContact O-N 2.8Å; L408-V411 PolarHBondContact O-N 3.48Å; V411-S413 VanDerWaalsContact C-N 3.34Å; V411-S413 PolarHBondContact O-N 2.83Å; V411-K414 WeakPolarHBondContact O-CB 3.37Å; V411-K414 PolarHBondContact O-N 3.03Å; V411-I415 HydrophobicContact CG1-CD1 4.31Å; V411-I415 PolarHBondContact O-N 2.9Å
412	A	98.1	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-37.1	-179.8	0	0	0	0	0	112.5	L247 A248 L298 L408 K414 I415 M416	L247-A412 HydrophobicContact CB-CB 4.26Å; L247-A412 HydrophobicContact CD2-CB 3.62Å; L247-A412 HydrophobicContact CG-CB 3.78Å; A248-A412 HydrophobicContact CB-CB 4.15Å; L298-A412 HydrophobicContact CD1-CB 3.81Å; L408-A412 VanDerWaalsContact O-CB 3.29Å; L408-A412 WeakPolarHBondContact O-CB 2.97Å; L408-A412 PolarHBondContact O-N 3.42Å; A412-K414 VanDerWaalsContact C-N 3.31Å; A412-K414 PolarHBondContact O-N 3.01Å; A412-I415 PolarHBondContact O-N 3.47Å; A412-M416 WeakPolarHBondContact O-CG 3.44Å; A412-M416 PolarHBondContact O-N 3.2Å
413	S	97.2	Very high	96.9	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-38.1	175.8	-64.3	0	0	0	0	112.2	L298 C409 S410 V411 M416 Y417	L298-S413 VanDerWaalsContact CD2-OG 3.26Å; L298-S413 WeakPolarHBondContact CD2-OG 3.44Å; C409-S413 WeakPolarHBondContact O-CB 3.44Å; C409-S413 PolarHBondContact O-N 2.85Å; C409-S413 PolarHBondContact O-OG 3.16Å; S410-S413 PolarHBondContact O-N 2.6Å; V411-S413 VanDerWaalsContact C-N 3.34Å; V411-S413 PolarHBondContact O-N 2.83Å; S413-M416 PolarHBondContact O-N 3.48Å; S413-Y417 WeakPolarHBondContact O-CD2 3.02Å; S413-Y417 PolarHBondContact O-N 2.71Å
414	K	97.1	Very high	96.9	Very high	113 Å²	113	35.8 Å²	35.8	49%	0.491	18%	0.183	S	C	.	.	H	α-helix	trans	-60.8	-45.3	176.3	-70.9	173.7	-178.7	-176.4	0	111.1	E3 S410 V411 A412 Y417 E418	E3-K414 VanDerWaalsContact OE1-CE 3.27Å; E3-K414 WeakPolarHBondContact OE1-CE 3.48Å; E3-K414 IonicContact OE1-NZ 3.54Å; E3-K414 PolarHBondContact OE1-NZ 2.96Å; S410-K414 WeakPolarHBondContact O-CG 3.25Å; S410-K414 PolarHBondContact O-N 3.17Å; S410-K414 VanDerWaalsContact O-N 3.16Å; V411-K414 WeakPolarHBondContact O-CB 3.37Å; V411-K414 PolarHBondContact O-N 3.03Å; A412-K414 VanDerWaalsContact C-N 3.31Å; A412-K414 PolarHBondContact O-N 3.01Å; K414-Y417 PolarHBondContact O-N 3.21Å; K414-E418 PolarHBondContact O-N 3.38Å
415	I	97.9	Very high	96.9	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-43.1	176.7	-60	160.8	0	0	0	110.7	A244 L245 A248 F249 V411 A412 Y417 E418 I419	A244-I415 HydrophobicContact CB-CD1 4.36Å; L245-I415 HydrophobicContact CD2-CD1 4.16Å; A248-I415 HydrophobicContact CB-CB 3.59Å; A248-I415 HydrophobicContact CB-CD1 4.13Å; A248-I415 HydrophobicContact CB-CG1 4.48Å; A248-I415 HydrophobicContact CB-CG2 3.5Å; A248-I415 VanDerWaalsContact CB-CG2 3.5Å; F249-I415 HydrophobicContact CD1-CG2 4.3Å; F249-I415 HydrophobicContact CE1-CG2 3.81Å; V411-I415 HydrophobicContact CG1-CD1 4.31Å; V411-I415 PolarHBondContact O-N 2.9Å; A412-I415 PolarHBondContact O-N 3.47Å; I415-Y417 PolarHBondContact O-N 2.59Å; I415-E418 WeakPolarHBondContact O-CB 3.19Å; I415-E418 PolarHBondContact O-N 2.62Å; I415-I419 HydrophobicContact CG2-CD1 4.03Å; I415-I419 WeakPolarHBondContact O-CD1 3.43Å; I415-I419 WeakPolarHBondContact O-CG1 3.43Å; I415-I419 PolarHBondContact O-N 3.34Å
416	M	98	Very high	96.7	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-41.9	176.5	-70.3	-179.1	72.7	0	0	112.4	A248 L251 W302 A412 S413 E418 I419 E420	A248-M416 HydrophobicContact CB-CG 4.01Å; L251-M416 HydrophobicContact CB-CE 3.68Å; L251-M416 HydrophobicContact CB-SD 3.87Å; L251-M416 HydrophobicContact CD1-SD 4.04Å; W302-M416 HydrophobicContact CD2-CE 3.6Å; W302-M416 HydrophobicContact CE3-CE 4.04Å; W302-M416 HydrophobicContact CG-CE 3.88Å; W302-M416 HydrophobicContact CH2-CB 3.91Å; W302-M416 HydrophobicContact CH2-CE 4.49Å; W302-M416 HydrophobicContact CZ2-CB 3.58Å; W302-M416 HydrophobicContact CZ2-CE 4.1Å; W302-M416 HydrophobicContact CZ2-SD 4.37Å; W302-M416 HydrophobicContact CZ3-CE 4.47Å; A412-M416 WeakPolarHBondContact O-CG 3.44Å; A412-M416 PolarHBondContact O-N 3.2Å; S413-M416 PolarHBondContact O-N 3.48Å; M416-E418 VanDerWaalsContact C-N 3.35Å; M416-E418 PolarHBondContact O-N 2.63Å; M416-I419 PolarHBondContact O-N 3.3Å; M416-E420 WeakPolarHBondContact O-CG 3.31Å; M416-E420 PolarHBondContact O-N 3.35Å
417	Y	97.6	Very high	96.5	Very high	108 Å²	108	42.6 Å²	42.6	42%	0.424	22%	0.217	S	C	.	.	H	α-helix	trans	-62	-42.9	174.5	-73.6	-54.5	0	0	0	111.5	W302 S413 K414 I415 I419 E420 H421	W302-Y417 AromaticContact CH2-CD1 3.68Å; W302-Y417 HydrophobicContact CH2-CD1 3.68Å; W302-Y417 AromaticContact CH2-CE1 3.74Å; W302-Y417 HydrophobicContact CH2-CE1 3.74Å; W302-Y417 HydrophobicContact CH2-CG 4.38Å; W302-Y417 AromaticContact CZ2-CD1 3.94Å; W302-Y417 HydrophobicContact CZ2-CD1 3.94Å; W302-Y417 AromaticContact CZ2-CE1 3.76Å; W302-Y417 HydrophobicContact CZ2-CE1 3.76Å; W302-Y417 HydrophobicContact CZ2-CG 4.38Å; S413-Y417 WeakPolarHBondContact O-CD2 3.02Å; S413-Y417 PolarHBondContact O-N 2.71Å; K414-Y417 PolarHBondContact O-N 3.21Å; I415-Y417 PolarHBondContact O-N 2.59Å; Y417-I419 VanDerWaalsContact C-N 3.34Å; Y417-I419 PolarHBondContact O-N 3.22Å; Y417-E420 PolarHBondContact O-N 2.79Å; Y417-H421 PolarHBondContact O-N 2.85Å; Y417-H421 PolarHBondContact O-ND1 2.71Å
418	E	97.4	Very high	96.5	Very high	88 Å²	88	41.7 Å²	41.7	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-55.4	-48.2	174.9	-174.1	-170.9	168.9	0	0	111.4	K414 I415 M416 E420 H421 T422 R437	K414-E418 PolarHBondContact O-N 3.38Å; I415-E418 WeakPolarHBondContact O-CB 3.19Å; I415-E418 PolarHBondContact O-N 2.62Å; M416-E418 VanDerWaalsContact C-N 3.35Å; M416-E418 PolarHBondContact O-N 2.63Å; E418-E420 VanDerWaalsContact C-N 3.33Å; E418-E420 PolarHBondContact O-N 2.96Å; E418-H421 WeakPolarHBondContact O-CB 3.05Å; E418-H421 PolarHBondContact O-N 3.3Å; E418-H421 VanDerWaalsContact O-N 3.15Å; E418-T422 PolarHBondContact O-N 3.3Å; E418-T422 VanDerWaalsContact O-N 3.15Å; E418-R437 IonicContact OE2-NH1 3Å; E418-R437 PolarHBondContact OE2-NH1 3.43Å
419	I	97.9	Very high	96.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-44.8	177.5	-67.3	159.4	0	0	0	111.3	F249 A252 I415 M416 Y417 H421 T422 G423 G424 M425 A428 M433	F249-I419 HydrophobicContact CD1-CD1 3.63Å; F249-I419 HydrophobicContact CE1-CD1 3.89Å; A252-I419 HydrophobicContact CB-CD1 3.8Å; A252-I419 HydrophobicContact CB-CG2 4.09Å; I415-I419 HydrophobicContact CG2-CD1 4.03Å; I415-I419 WeakPolarHBondContact O-CD1 3.43Å; I415-I419 WeakPolarHBondContact O-CG1 3.43Å; I415-I419 PolarHBondContact O-N 3.34Å; M416-I419 PolarHBondContact O-N 3.3Å; Y417-I419 VanDerWaalsContact C-N 3.34Å; Y417-I419 PolarHBondContact O-N 3.22Å; I419-H421 VanDerWaalsContact C-N 3.31Å; I419-H421 PolarHBondContact O-N 2.72Å; I419-T422 PolarHBondContact O-N 2.98Å; I419-T422 VanDerWaalsContact O-N 3.09Å; I419-T422 PolarHBondContact O-OG1 3.25Å; I419-G423 PolarHBondContact O-N 2.86Å; I419-G424 PolarHBondContact O-N 2.88Å; I419-G424 VanDerWaalsContact O-N 3.12Å; I419-M425 HydrophobicContact CD1-SD 3.85Å; I419-M425 HydrophobicContact CG1-SD 4.2Å; I419-M425 HydrophobicContact CG2-CB 4.07Å; I419-M425 HydrophobicContact CG2-SD 3.77Å; I419-A428 HydrophobicContact CG2-CB 4.19Å; I419-M433 HydrophobicContact CG1-CE 4.04Å
420	E	97.2	Very high	95.8	Very high	50 Å²	50	45.3 Å²	45.3	23%	0.234	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-36.2	178.2	-71.5	-71	121.3	0	0	112.4	R259 W302 M416 Y417 E418 T422 G423	R259-E420 IonicContact CZ-OE1 3.25Å; R259-E420 IonicContact CZ-OE2 3.88Å; R259-E420 IonicContact NH1-OE1 3.02Å; R259-E420 PolarHBondContact NH1-OE1 2.86Å; R259-E420 IonicContact NH1-OE2 3.94Å; R259-E420 IonicContact NH2-OE1 2.68Å; R259-E420 PolarHBondContact NH2-OE1 3.05Å; R259-E420 IonicContact NH2-OE2 2.93Å; R259-E420 PolarHBondContact NH2-OE2 2.73Å; W302-E420 HydrophobicContact CH2-CG 3.99Å; W302-E420 HydrophobicContact CZ3-CG 3.77Å; M416-E420 WeakPolarHBondContact O-CG 3.31Å; M416-E420 PolarHBondContact O-N 3.35Å; Y417-E420 PolarHBondContact O-N 2.79Å; E418-E420 VanDerWaalsContact C-N 3.33Å; E418-E420 PolarHBondContact O-N 2.96Å; E420-T422 VanDerWaalsContact C-N 3.28Å; E420-T422 PolarHBondContact O-N 2.94Å; E420-G423 WeakPolarHBondContact O-CA 3.34Å; E420-G423 PolarHBondContact O-N 3.01Å
421	H	96.2	Very high	95.6	Very high	167 Å²	167	46.7 Å²	46.7	77%	0.773	25%	0.251	S	S	*	.	H	α-helix	trans	-65.3	-29.7	173.5	-75	82.9	0	0	0	112.7	Y417 E418 I419 G423	Y417-H421 PolarHBondContact O-N 2.85Å; Y417-H421 PolarHBondContact O-ND1 2.71Å; E418-H421 WeakPolarHBondContact O-CB 3.05Å; E418-H421 PolarHBondContact O-N 3.3Å; E418-H421 VanDerWaalsContact O-N 3.15Å; I419-H421 VanDerWaalsContact C-N 3.31Å; I419-H421 PolarHBondContact O-N 2.72Å; H421-G423 PolarHBondContact O-N 3.45Å
422	T	93.8	Very high	95.3	Very high	64 Å²	64	45.9 Å²	45.9	39%	0.393	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.6	171.6	70.8	0	0	0	0	113.5	E418 I419 E420 K427	E418-T422 PolarHBondContact O-N 3.3Å; E418-T422 VanDerWaalsContact O-N 3.15Å; I419-T422 PolarHBondContact O-N 2.98Å; I419-T422 VanDerWaalsContact O-N 3.09Å; I419-T422 PolarHBondContact O-OG1 3.25Å; E420-T422 VanDerWaalsContact C-N 3.28Å; E420-T422 PolarHBondContact O-N 2.94Å; T422-K427 WeakPolarHBondContact O-CD 3.34Å
423	G	95.6	Very high	95.2	Very high	40 Å²	40	47.6 Å²	47.6	41%	0.412	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	28.9	-180	0	0	0	0	0	114.2	I419 E420 H421	I419-G423 PolarHBondContact O-N 2.86Å; E420-G423 WeakPolarHBondContact O-CA 3.34Å; E420-G423 PolarHBondContact O-N 3.01Å; H421-G423 PolarHBondContact O-N 3.45Å
424	G	96.1	Very high	95.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	99.4	168.5	173.1	0	0	0	0	0	113.9	I419 A426 K427 A428	I419-G424 PolarHBondContact O-N 2.88Å; I419-G424 VanDerWaalsContact O-N 3.12Å; G424-A426 PolarHBondContact O-N 2.84Å; G424-K427 PolarHBondContact O-N 2.92Å; G424-A428 PolarHBondContact O-N 3.1Å; G424-A428 VanDerWaalsContact O-N 3.09Å
425	M	97.1	Very high	95.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68	-34.2	-167	-163.6	53.5	-179.4	0	0	113	M196 F249 A252 D253 E256 I419 K427 A428 V429 P434	M196-M425 HydrophobicContact CE-CE 3.41Å; M196-M425 VanDerWaalsContact CE-CE 3.41Å; M196-M425 HydrophobicContact SD-CE 3.38Å; M196-M425 WeakPolarHBondContact SD-CE 3.44Å; F249-M425 HydrophobicContact CB-CE 3.74Å; F249-M425 HydrophobicContact CD1-CE 3.77Å; F249-M425 HydrophobicContact CD1-SD 4.44Å; F249-M425 HydrophobicContact CG-CE 3.9Å; A252-M425 HydrophobicContact CB-CB 4.08Å; A252-M425 HydrophobicContact CB-CG 4.03Å; A252-M425 HydrophobicContact CB-SD 4Å; D253-M425 WeakPolarHBondContact OD1-CG 3.44Å; E256-M425 HydrophobicContact CB-CB 4.19Å; I419-M425 HydrophobicContact CD1-SD 3.85Å; I419-M425 HydrophobicContact CG1-SD 4.2Å; I419-M425 HydrophobicContact CG2-CB 4.07Å; I419-M425 HydrophobicContact CG2-SD 3.77Å; M425-K427 VanDerWaalsContact C-N 3.3Å; M425-K427 PolarHBondContact O-N 2.98Å; M425-A428 PolarHBondContact O-N 3.32Å; M425-A428 HydrophobicContact SD-CB 4.06Å; M425-V429 HydrophobicContact CE-CG2 4.06Å; M425-V429 HydrophobicContact CG-CG2 4.32Å; M425-V429 WeakPolarHBondContact O-CB 3.37Å; M425-V429 VanDerWaalsContact O-CG2 3.27Å; M425-V429 WeakPolarHBondContact O-CG2 3.46Å; M425-V429 PolarHBondContact O-N 2.82Å; M425-V429 HydrophobicContact SD-CG2 4.5Å; M425-P434 HydrophobicContact CE-CB 3.99Å; M425-P434 HydrophobicContact CE-CG 3.73Å; M425-P434 HydrophobicContact SD-CG 4.22Å
426	A	92.4	Very high	94.9	Very high	27 Å²	27	46.2 Å²	46.2	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-40.4	175.1	0	0	0	0	0	112.5	L192 E256 G424 A430	L192-A426 HydrophobicContact CD2-CB 4.26Å; E256-A426 HydrophobicContact CG-CB 4.01Å; G424-A426 PolarHBondContact O-N 2.84Å; A426-A430 WeakPolarHBondContact O-CB 3.31Å; A426-A430 PolarHBondContact O-N 3.31Å
427	K	93.2	Very high	94.9	Very high	136 Å²	136	49.7 Å²	49.7	59%	0.591	27%	0.268	S	S	*	.	H	α-helix	trans	-72	-40.3	175.2	-70.8	-171.7	-179.2	178.8	0	111.9	T422 G424 M425 A430 S431	T422-K427 WeakPolarHBondContact O-CD 3.34Å; G424-K427 PolarHBondContact O-N 2.92Å; M425-K427 VanDerWaalsContact C-N 3.3Å; M425-K427 PolarHBondContact O-N 2.98Å; K427-A430 PolarHBondContact O-N 3.11Å; K427-S431 PolarHBondContact O-N 3.36Å
428	A	95	Very high	94.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-48.8	175.6	0	0	0	0	0	111.1	I419 G424 M425 A430 S431 G432 M433 P434	I419-A428 HydrophobicContact CG2-CB 4.19Å; G424-A428 PolarHBondContact O-N 3.1Å; G424-A428 VanDerWaalsContact O-N 3.09Å; M425-A428 PolarHBondContact O-N 3.32Å; M425-A428 HydrophobicContact SD-CB 4.06Å; A428-A430 PolarHBondContact O-N 3.12Å; A428-S431 PolarHBondContact O-N 3.32Å; A428-S431 PolarHBondContact O-OG 3.17Å; A428-G432 PolarHBondContact O-N 2.61Å; A428-M433 HydrophobicContact CB-CE 4.18Å; A428-M433 PolarHBondContact O-N 2.53Å; A428-P434 HydrophobicContact CB-CG 4.04Å; A428-P434 WeakPolarHBondContact O-CD 3.45Å
429	V	93	Very high	94.9	Very high	15 Å²	15	41.3 Å²	41.3	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-48.2	174.9	173.2	0	0	0	0	111.1	F195 M196 M425 S431 G432 P434	F195-V429 HydrophobicContact CB-CG1 3.46Å; F195-V429 VanDerWaalsContact CB-CG1 3.46Å; F195-V429 HydrophobicContact CD2-CG1 4.46Å; F195-V429 HydrophobicContact CG-CG1 4.3Å; M196-V429 HydrophobicContact CE-CG2 3.95Å; M196-V429 HydrophobicContact CG-CG1 4.29Å; M196-V429 HydrophobicContact CG-CG2 3.75Å; M196-V429 HydrophobicContact SD-CG2 3.97Å; M425-V429 HydrophobicContact CE-CG2 4.06Å; M425-V429 HydrophobicContact CG-CG2 4.32Å; M425-V429 WeakPolarHBondContact O-CB 3.37Å; M425-V429 VanDerWaalsContact O-CG2 3.27Å; M425-V429 WeakPolarHBondContact O-CG2 3.46Å; M425-V429 PolarHBondContact O-N 2.82Å; M425-V429 HydrophobicContact SD-CG2 4.5Å; V429-S431 PolarHBondContact O-N 2.94Å; V429-G432 WeakPolarHBondContact O-CA 3.25Å; V429-G432 PolarHBondContact O-N 2.93Å; V429-P434 HydrophobicContact CG2-CG 4.39Å
430	A	88.7	Confident	94.9	Very high	67 Å²	67	44.6 Å²	44.6	55%	0.554	25%	0.248	S	C	*	.	H	α-helix	trans	-60.9	-31.1	178.2	0	0	0	0	0	113.1	A426 K427 A428 G432	A426-A430 WeakPolarHBondContact O-CB 3.31Å; A426-A430 PolarHBondContact O-N 3.31Å; K427-A430 PolarHBondContact O-N 3.11Å; A428-A430 PolarHBondContact O-N 3.12Å; A430-G432 VanDerWaalsContact C-N 3.26Å; A430-G432 PolarHBondContact O-N 2.92Å
431	S	90.8	Very high	94.9	Very high	48 Å²	48	43 Å²	43	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-75.1	-13.1	174.6	79	0	0	0	0	113.9	K427 A428 V429 M433 R552	K427-S431 PolarHBondContact O-N 3.36Å; A428-S431 PolarHBondContact O-N 3.32Å; A428-S431 PolarHBondContact O-OG 3.17Å; V429-S431 PolarHBondContact O-N 2.94Å; S431-M433 VanDerWaalsContact C-N 3.31Å; S431-M433 PolarHBondContact O-N 3.45Å; S431-M433 PolarHBondContact OG-N 3.36Å; S431-R552 PolarHBondContact O-NH1 3.22Å; S431-R552 PolarHBondContact O-NH2 2.88Å
432	G	91.7	Very high	95	Very high	21 Å²	21	35 Å²	35	22%	0.216	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	1.4	-177.2	0	0	0	0	0	115.3	A428 V429 A430 L436	A428-G432 PolarHBondContact O-N 2.61Å; V429-G432 WeakPolarHBondContact O-CA 3.25Å; V429-G432 PolarHBondContact O-N 2.93Å; A430-G432 VanDerWaalsContact C-N 3.26Å; A430-G432 PolarHBondContact O-N 2.92Å; G432-L436 PolarHBondContact O-N 3.2Å; G432-L436 VanDerWaalsContact O-N 3.15Å
433	M	94.6	Very high	95.1	Very high	36 Å²	36	32 Å²	32	18%	0.177	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-50	-175.8	177	-77.5	-76.9	0	0	113.2	I419 A428 S431 K435 L436 R437	I419-M433 HydrophobicContact CG1-CE 4.04Å; A428-M433 HydrophobicContact CB-CE 4.18Å; A428-M433 PolarHBondContact O-N 2.53Å; S431-M433 VanDerWaalsContact C-N 3.31Å; S431-M433 PolarHBondContact O-N 3.45Å; S431-M433 PolarHBondContact OG-N 3.36Å; M433-K435 PolarHBondContact O-N 3.06Å; M433-L436 PolarHBondContact O-N 2.87Å; M433-R437 PolarHBondContact O-N 3.17Å; M433-R437 VanDerWaalsContact O-N 3.14Å; M433-R437 VanDerWaalsContact SD-CD 3.5Å; M433-R437 HydrophobicContact SD-CG 4.15Å
434	P	96.4	Very high	95.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-44.9	-178.5	-26.3	36	0	0	0	112.8	M196 F249 M425 A428 V429 L436 R437 I438	M196-P434 HydrophobicContact CG-CB 4.15Å; M196-P434 HydrophobicContact SD-CB 3.53Å; M196-P434 VanDerWaalsContact SD-CB 3.53Å; M196-P434 HydrophobicContact SD-CG 4.26Å; F249-P434 HydrophobicContact CD1-CB 4.36Å; F249-P434 HydrophobicContact CD2-CB 4.29Å; F249-P434 HydrophobicContact CE1-CB 4.1Å; F249-P434 HydrophobicContact CE1-CG 4.39Å; F249-P434 HydrophobicContact CE2-CB 4.01Å; F249-P434 HydrophobicContact CG-CB 4.46Å; F249-P434 HydrophobicContact CZ-CB 3.92Å; M425-P434 HydrophobicContact CE-CB 3.99Å; M425-P434 HydrophobicContact CE-CG 3.73Å; M425-P434 HydrophobicContact SD-CG 4.22Å; A428-P434 HydrophobicContact CB-CG 4.04Å; A428-P434 WeakPolarHBondContact O-CD 3.45Å; V429-P434 HydrophobicContact CG2-CG 4.39Å; P434-L436 VanDerWaalsContact C-N 3.34Å; P434-L436 PolarHBondContact O-N 3.49Å; P434-R437 PolarHBondContact O-N 2.84Å; P434-I438 WeakPolarHBondContact O-CG1 3.28Å; P434-I438 PolarHBondContact O-N 3.25Å
435	K	95.8	Very high	95.2	Very high	40 Å²	40	36.1 Å²	36.1	17%	0.174	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-46	178	-178.5	167.4	-177.5	54.7	0	111.4	M196 M433 R437 I438 E439 D599	M196-K435 WeakPolarHBondContact O-CD 3.41Å; M196-K435 VanDerWaalsContact O-CG 3.29Å; M196-K435 WeakPolarHBondContact O-CG 3.43Å; M196-K435 PolarHBondContact O-NZ 3.41Å; M433-K435 PolarHBondContact O-N 3.06Å; K435-R437 PolarHBondContact O-N 3.25Å; K435-I438 PolarHBondContact O-N 2.99Å; K435-E439 WeakPolarHBondContact CE-OE1 3.49Å; K435-E439 HydrophobicContact CG-CG 4.41Å; K435-E439 WeakPolarHBondContact CG-OE1 3.33Å; K435-E439 IonicContact NZ-OE1 3.53Å; K435-E439 PolarHBondContact NZ-OE1 3.25Å; K435-E439 WeakPolarHBondContact O-CG 3.34Å; K435-E439 PolarHBondContact O-N 3.45Å; K435-D599 IonicContact NZ-OD1 3.35Å; K435-D599 IonicContact NZ-OD2 3.71Å; K435-D599 PolarHBondContact NZ-OD2 3.2Å
436	L	95.3	Very high	95.2	Very high	61 Å²	61	37.7 Å²	37.7	32%	0.319	20%	0.199	S	C	.	.	H	α-helix	trans	-62.3	-40.6	179.6	-169.4	71.5	0	0	0	112.4	G432 M433 P434 E439 E440 V554	G432-L436 PolarHBondContact O-N 3.2Å; G432-L436 VanDerWaalsContact O-N 3.15Å; M433-L436 PolarHBondContact O-N 2.87Å; P434-L436 VanDerWaalsContact C-N 3.34Å; P434-L436 PolarHBondContact O-N 3.49Å; L436-E439 PolarHBondContact O-N 3.27Å; L436-E440 WeakPolarHBondContact O-CB 3.43Å; L436-E440 PolarHBondContact O-N 3.29Å; L436-V554 HydrophobicContact CD1-CG2 3.55Å; L436-V554 HydrophobicContact CG-CG2 4.29Å
437	R	97.1	Very high	95.4	Very high	75 Å²	75	36.4 Å²	36.4	28%	0.283	19%	0.188	S	C	.	.	H	α-helix	trans	-67.2	-36.6	177.4	-68.9	-173.7	70.9	171.1	2.5	112.5	L245 F249 E418 M433 P434 K435 E440 A441	L245-R437 HydrophobicContact CD1-CB 4.42Å; L245-R437 HydrophobicContact CD2-CB 4.33Å; F249-R437 HydrophobicContact CZ-CB 4.34Å; E418-R437 IonicContact OE2-NH1 3Å; E418-R437 PolarHBondContact OE2-NH1 3.43Å; M433-R437 PolarHBondContact O-N 3.17Å; M433-R437 VanDerWaalsContact O-N 3.14Å; M433-R437 VanDerWaalsContact SD-CD 3.5Å; M433-R437 HydrophobicContact SD-CG 4.15Å; P434-R437 PolarHBondContact O-N 2.84Å; K435-R437 PolarHBondContact O-N 3.25Å; R437-E440 PolarHBondContact O-N 3.01Å; R437-A441 WeakPolarHBondContact O-CB 3.22Å; R437-A441 PolarHBondContact O-N 2.94Å
438	I	98.1	Very high	95.6	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-45.5	174.6	-65.9	173.3	0	0	0	110.3	V197 M236 A239 A241 F249 P434 K435 E440 A441 A442	V197-I438 HydrophobicContact CG1-CD1 3.56Å; V197-I438 HydrophobicContact CG1-CG2 4.03Å; M236-I438 HydrophobicContact CB-CD1 4.08Å; M236-I438 HydrophobicContact CG-CD1 4.29Å; A239-I438 HydrophobicContact CB-CG2 3.81Å; A241-I438 HydrophobicContact CB-CD1 4.43Å; A241-I438 HydrophobicContact CB-CG1 4Å; A241-I438 HydrophobicContact CB-CG2 4.37Å; F249-I438 HydrophobicContact CD2-CD1 4.03Å; F249-I438 HydrophobicContact CD2-CG1 4.23Å; F249-I438 HydrophobicContact CE2-CD1 4.15Å; F249-I438 HydrophobicContact CE2-CG1 3.91Å; P434-I438 WeakPolarHBondContact O-CG1 3.28Å; P434-I438 PolarHBondContact O-N 3.25Å; K435-I438 PolarHBondContact O-N 2.99Å; I438-E440 VanDerWaalsContact C-N 3.32Å; I438-E440 PolarHBondContact O-N 3.41Å; I438-A441 PolarHBondContact O-N 3.36Å; I438-A442 WeakPolarHBondContact O-CB 3.08Å; I438-A442 PolarHBondContact O-N 2.98Å
439	E	97	Very high	95.6	Very high	18 Å²	18	32 Å²	32	8%	0.084	17%	0.169	C	C	.	.	H	α-helix	trans	-62.9	-37.9	177	-71.9	174.9	176.7	0	0	111.8	K435 L436 A442 A443 V554	K435-E439 WeakPolarHBondContact CE-OE1 3.49Å; K435-E439 HydrophobicContact CG-CG 4.41Å; K435-E439 WeakPolarHBondContact CG-OE1 3.33Å; K435-E439 IonicContact NZ-OE1 3.53Å; K435-E439 PolarHBondContact NZ-OE1 3.25Å; K435-E439 WeakPolarHBondContact O-CG 3.34Å; K435-E439 PolarHBondContact O-N 3.45Å; L436-E439 PolarHBondContact O-N 3.27Å; E439-A442 WeakPolarHBondContact O-CB 3.32Å; E439-A442 PolarHBondContact O-N 3.48Å; E439-A443 WeakPolarHBondContact O-CB 3.28Å; E439-A443 PolarHBondContact O-N 3.01Å; E439-V554 HydrophobicContact CB-CG2 3.64Å
440	E	97.2	Very high	95.7	Very high	69 Å²	69	32 Å²	32	32%	0.322	17%	0.168	S	C	.	.	H	α-helix	trans	-63.9	-46.1	174.2	-170.7	-173.2	163.8	0	0	111.5	L436 R437 I438 A442 A443 R444 V554 A557	L436-E440 WeakPolarHBondContact O-CB 3.43Å; L436-E440 PolarHBondContact O-N 3.29Å; R437-E440 PolarHBondContact O-N 3.01Å; I438-E440 VanDerWaalsContact C-N 3.32Å; I438-E440 PolarHBondContact O-N 3.41Å; E440-A442 VanDerWaalsContact C-N 3.29Å; E440-A442 PolarHBondContact O-N 2.74Å; E440-A443 PolarHBondContact O-N 3.33Å; E440-R444 WeakPolarHBondContact O-CG 3.13Å; E440-R444 PolarHBondContact O-N 3.24Å; E440-R444 IonicContact OE1-CZ 2.68Å; E440-R444 IonicContact OE1-NE 3.23Å; E440-R444 PolarHBondContact OE1-NE 2.86Å; E440-R444 VanDerWaalsContact OE1-NE 3.1Å; E440-R444 IonicContact OE1-NH2 2.7Å; E440-R444 PolarHBondContact OE1-NH2 3.34Å; E440-V554 HydrophobicContact CB-CG1 4.28Å; E440-V554 HydrophobicContact CB-CG2 4.4Å; E440-V554 HydrophobicContact CG-CG1 4.35Å; E440-A557 HydrophobicContact CG-CB 3.82Å
441	A	97.8	Very high	96	Very high	15 Å²	15	30.2 Å²	30.2	12%	0.124	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-39.1	176.1	0	0	0	0	0	111.8	G240 L245 R437 I438 K445	G240-A441 VanDerWaalsContact O-CB 3.23Å; G240-A441 WeakPolarHBondContact O-CB 3.15Å; L245-A441 HydrophobicContact CD1-CB 4Å; R437-A441 WeakPolarHBondContact O-CB 3.22Å; R437-A441 PolarHBondContact O-N 2.94Å; I438-A441 PolarHBondContact O-N 3.36Å; A441-K445 WeakPolarHBondContact O-CB 3.2Å; A441-K445 PolarHBondContact O-N 2.82Å
442	A	97.6	Very high	96.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-46.3	174.6	0	0	0	0	0	112.2	A239 I438 E439 E440 K445 Q446 R600 V604	A239-A442 WeakPolarHBondContact O-CB 3.32Å; I438-A442 WeakPolarHBondContact O-CB 3.08Å; I438-A442 PolarHBondContact O-N 2.98Å; E439-A442 WeakPolarHBondContact O-CB 3.32Å; E439-A442 PolarHBondContact O-N 3.48Å; E440-A442 VanDerWaalsContact C-N 3.29Å; E440-A442 PolarHBondContact O-N 2.74Å; A442-K445 PolarHBondContact O-N 2.8Å; A442-Q446 PolarHBondContact O-N 2.78Å; A442-R600 HydrophobicContact CB-CG 4.25Å; A442-V604 HydrophobicContact CB-CG2 3.93Å
443	A	97.1	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-45.3	179.5	0	0	0	0	0	111.8	E439 E440 K445 Q446 A447 A557 T607	E439-A443 WeakPolarHBondContact O-CB 3.28Å; E439-A443 PolarHBondContact O-N 3.01Å; E440-A443 PolarHBondContact O-N 3.33Å; A443-K445 VanDerWaalsContact C-N 3.35Å; A443-K445 PolarHBondContact O-N 2.83Å; A443-Q446 PolarHBondContact O-N 3.27Å; A443-A447 PolarHBondContact O-N 3.01Å; A443-A557 HydrophobicContact CB-CB 4.13Å; A443-T607 HydrophobicContact CB-CG2 3.93Å
444	R	97.2	Very high	96.2	Very high	74 Å²	74	35.3 Å²	35.3	28%	0.279	17%	0.174	S	C	.	.	H	α-helix	trans	-61.1	-44.2	174.7	-68.6	178.6	-177.5	-79.8	-2.8	111.5	E440 Q446 A447 R448 A557 E561	E440-R444 WeakPolarHBondContact O-CG 3.13Å; E440-R444 PolarHBondContact O-N 3.24Å; E440-R444 IonicContact OE1-CZ 2.68Å; E440-R444 IonicContact OE1-NE 3.23Å; E440-R444 PolarHBondContact OE1-NE 2.86Å; E440-R444 VanDerWaalsContact OE1-NE 3.1Å; E440-R444 IonicContact OE1-NH2 2.7Å; E440-R444 PolarHBondContact OE1-NH2 3.34Å; R444-Q446 VanDerWaalsContact C-N 3.33Å; R444-Q446 PolarHBondContact O-N 3.35Å; R444-A447 PolarHBondContact O-N 2.75Å; R444-R448 PolarHBondContact O-N 2.8Å; R444-R448 VanDerWaalsContact O-N 3.07Å; R444-A557 HydrophobicContact CG-CB 4.47Å; R444-E561 HydrophobicContact CB-CB 4.21Å; R444-E561 HydrophobicContact CB-CG 3.83Å; R444-E561 HydrophobicContact CG-CB 4.11Å; R444-E561 HydrophobicContact CG-CG 4.17Å; R444-E561 IonicContact CZ-OE2 3.22Å; R444-E561 IonicContact NH1-OE2 2.77Å; R444-E561 PolarHBondContact NH1-OE2 2.94Å; R444-E561 WeakPolarHBondContact O-CG 3.46Å
445	K	97	Very high	96.3	Very high	53 Å²	53	38.7 Å²	38.7	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-43.4	178.2	-169.7	171.2	-167.8	179.6	0	112	W326 A441 A442 A443 R448 I449 E454	W326-K445 HydrophobicContact CH2-CD 3.77Å; W326-K445 HydrophobicContact CH2-CG 4.28Å; W326-K445 HydrophobicContact CZ2-CD 4.41Å; W326-K445 HydrophobicContact CZ3-CD 4.08Å; A441-K445 WeakPolarHBondContact O-CB 3.2Å; A441-K445 PolarHBondContact O-N 2.82Å; A442-K445 PolarHBondContact O-N 2.8Å; A443-K445 VanDerWaalsContact C-N 3.35Å; A443-K445 PolarHBondContact O-N 2.83Å; K445-R448 PolarHBondContact O-N 3.44Å; K445-I449 HydrophobicContact CG-CD1 4.09Å; K445-I449 WeakPolarHBondContact O-CD1 3.32Å; K445-I449 WeakPolarHBondContact O-CG1 3.22Å; K445-I449 PolarHBondContact O-N 3.02Å; K445-E454 WeakPolarHBondContact CE-OE1 3.49Å
446	Q	97	Very high	96.4	Very high	32 Å²	32	38.4 Å²	38.4	15%	0.15	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-46.1	176.6	-167.9	67.6	41.8	0	0	111.3	A442 A443 R444 R448 I449 D450 Y558 V604 L699	A442-Q446 PolarHBondContact O-N 2.78Å; A443-Q446 PolarHBondContact O-N 3.27Å; R444-Q446 VanDerWaalsContact C-N 3.33Å; R444-Q446 PolarHBondContact O-N 3.35Å; Q446-R448 VanDerWaalsContact C-N 3.29Å; Q446-R448 PolarHBondContact O-N 3.46Å; Q446-I449 WeakPolarHBondContact O-CB 3.28Å; Q446-I449 PolarHBondContact O-N 3.36Å; Q446-D450 WeakPolarHBondContact CG-OD2 3.39Å; Q446-D450 PolarHBondContact NE2-OD1 3.27Å; Q446-D450 PolarHBondContact NE2-OD2 3.43Å; Q446-D450 PolarHBondContact O-N 3.26Å; Q446-Y558 HydrophobicContact CB-CD2 4.46Å; Q446-Y558 HydrophobicContact CB-CE2 4.32Å; Q446-Y558 HydrophobicContact CG-CE2 4.13Å; Q446-V604 HydrophobicContact CB-CG1 3.51Å; Q446-V604 HydrophobicContact CG-CG1 3.52Å; Q446-L699 HydrophobicContact CG-CD1 4.42Å
447	A	96.3	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-38.3	178.4	0	0	0	0	0	113.2	A443 R444 I449 S451 Y558 E561 F562	A443-A447 PolarHBondContact O-N 3.01Å; R444-A447 PolarHBondContact O-N 2.75Å; A447-I449 VanDerWaalsContact C-N 3.34Å; A447-S451 VanDerWaalsContact O-CB 3.31Å; A447-S451 WeakPolarHBondContact O-CB 2.88Å; A447-S451 PolarHBondContact O-N 3.2Å; A447-S451 PolarHBondContact O-OG 3.49Å; A447-Y558 HydrophobicContact CB-CD2 3.73Å; A447-Y558 HydrophobicContact CB-CE2 3.92Å; A447-Y558 HydrophobicContact CB-CG 4.23Å; A447-Y558 VanDerWaalsContact CB-O 3.27Å; A447-Y558 WeakPolarHBondContact CB-O 3.41Å; A447-E561 HydrophobicContact CB-CB 3.81Å; A447-E561 HydrophobicContact CB-CG 4.15Å; A447-F562 HydrophobicContact CB-CB 4.12Å; A447-F562 HydrophobicContact CB-CD2 4.33Å
448	R	95.9	Very high	96.3	Very high	38 Å²	38	35.2 Å²	35.2	14%	0.143	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-35	174	-70	-169	-61.4	-88.4	-1.6	112.8	R444 K445 Q446 S451 G452 Q453 E454 E561	R444-R448 PolarHBondContact O-N 2.8Å; R444-R448 VanDerWaalsContact O-N 3.07Å; K445-R448 PolarHBondContact O-N 3.44Å; Q446-R448 VanDerWaalsContact C-N 3.29Å; Q446-R448 PolarHBondContact O-N 3.46Å; R448-S451 PolarHBondContact O-OG 3.29Å; R448-G452 CarbonylContact O-C 3.54Å; R448-G452 PolarHBondContact O-N 3.09Å; R448-Q453 HydrophobicContact CB-CB 4.16Å; R448-Q453 HydrophobicContact CG-CB 4.41Å; R448-Q453 CarbonylContact O-C 3.57Å; R448-Q453 WeakPolarHBondContact O-CA 3.49Å; R448-Q453 WeakPolarHBondContact O-CB 3.27Å; R448-Q453 PolarHBondContact O-N 2.87Å; R448-E454 HydrophobicContact CB-CB 3.92Å; R448-E454 IonicContact NE-OE2 2.82Å; R448-E454 PolarHBondContact NE-OE2 2.93Å; R448-E454 IonicContact NH2-OE2 3.86Å; R448-E454 PolarHBondContact O-N 2.77Å; R448-E561 WeakPolarHBondContact CD-OE1 3.47Å; R448-E561 HydrophobicContact CG-CG 3.86Å; R448-E561 IonicContact CZ-OE1 3.26Å; R448-E561 IonicContact NH1-OE1 2.6Å; R448-E561 PolarHBondContact NH1-OE1 3.33Å
449	I	96.2	Very high	96.2	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-71.2	-46.7	177.9	-67.8	159.1	0	0	0	110	W326 K445 Q446 A447 G452 E454 I456 N460	W326-I449 HydrophobicContact CH2-CD1 3.61Å; W326-I449 HydrophobicContact CZ2-CD1 3.79Å; K445-I449 HydrophobicContact CG-CD1 4.09Å; K445-I449 WeakPolarHBondContact O-CD1 3.32Å; K445-I449 WeakPolarHBondContact O-CG1 3.22Å; K445-I449 PolarHBondContact O-N 3.02Å; Q446-I449 WeakPolarHBondContact O-CB 3.28Å; Q446-I449 PolarHBondContact O-N 3.36Å; A447-I449 VanDerWaalsContact C-N 3.34Å; I449-G452 PolarHBondContact O-N 2.83Å; I449-E454 HydrophobicContact CG1-CB 4.07Å; I449-E454 HydrophobicContact CG1-CG 4.27Å; I449-I456 HydrophobicContact CD1-CD1 3.89Å; I449-I456 HydrophobicContact CG1-CD1 3.97Å; I449-I456 HydrophobicContact CG1-CG1 4.5Å; I449-I456 HydrophobicContact CG2-CD1 3.79Å; I449-I456 HydrophobicContact CG2-CG1 4.4Å; I449-N460 PolarHBondContact O-ND2 3.03Å
450	D	95.2	Very high	96.1	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.08	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-38.3	-174.7	-64.4	-8.9	0	0	0	111.5	Q446 G452 Y558 F562 L698 L699	Q446-D450 WeakPolarHBondContact CG-OD2 3.39Å; Q446-D450 PolarHBondContact NE2-OD1 3.27Å; Q446-D450 PolarHBondContact NE2-OD2 3.43Å; Q446-D450 PolarHBondContact O-N 3.26Å; D450-G452 PolarHBondContact O-N 3.19Å; D450-Y558 PolarHBondContact OD2-OH 3.32Å; D450-Y558 VanDerWaalsContact OD2-OH 3.08Å; D450-F562 HydrophobicContact CB-CD2 4.36Å; D450-F562 HydrophobicContact CB-CE2 3.66Å; D450-L698 HydrophobicContact CB-CB 4.43Å; D450-L698 WeakPolarHBondContact OD1-CD2 3.45Å; D450-L699 WeakPolarHBondContact OD2-CB 3.47Å; D450-L699 PolarHBondContact OD2-N 2.87Å
451	S	94	Very high	96.1	Very high	30 Å²	30	37.6 Å²	37.6	21%	0.21	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-4.7	171.4	60.9	0	0	0	0	114.5	A447 R448 Q453	A447-S451 VanDerWaalsContact O-CB 3.31Å; A447-S451 WeakPolarHBondContact O-CB 2.88Å; A447-S451 PolarHBondContact O-N 3.2Å; A447-S451 PolarHBondContact O-OG 3.49Å; R448-S451 PolarHBondContact O-OG 3.29Å; S451-Q453 VanDerWaalsContact C-N 3.26Å; S451-Q453 PolarHBondContact O-N 3.31Å; S451-Q453 WeakPolarHBondContact OG-CG 3.24Å; S451-Q453 PolarHBondContact OG-NE2 2.88Å; S451-Q453 VanDerWaalsContact OG-NE2 3.15Å
452	G	93.3	Very high	96	Very high	39 Å²	39	44.1 Å²	44.1	40%	0.402	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	5.1	-178.3	0	0	0	0	0	115.7	R448 I449 D450 E454	R448-G452 CarbonylContact O-C 3.54Å; R448-G452 PolarHBondContact O-N 3.09Å; I449-G452 PolarHBondContact O-N 2.83Å; D450-G452 PolarHBondContact O-N 3.19Å; G452-E454 VanDerWaalsContact C-N 3.27Å; G452-E454 PolarHBondContact O-N 3.39Å
453	Q	93.7	Very high	95.8	Very high	113 Å²	113	50.2 Å²	50.2	53%	0.528	25%	0.247	S	C	.	.	S	Bend	trans	-61.7	-35.3	172.5	-63.6	175.7	39.6	0	0	112	R448 S451 E561 F562	R448-Q453 HydrophobicContact CB-CB 4.16Å; R448-Q453 HydrophobicContact CG-CB 4.41Å; R448-Q453 CarbonylContact O-C 3.57Å; R448-Q453 WeakPolarHBondContact O-CA 3.49Å; R448-Q453 WeakPolarHBondContact O-CB 3.27Å; R448-Q453 PolarHBondContact O-N 2.87Å; S451-Q453 VanDerWaalsContact C-N 3.26Å; S451-Q453 PolarHBondContact O-N 3.31Å; S451-Q453 WeakPolarHBondContact OG-CG 3.24Å; S451-Q453 PolarHBondContact OG-NE2 2.88Å; S451-Q453 VanDerWaalsContact OG-NE2 3.15Å; Q453-E561 PolarHBondContact NE2-O 2.66Å; Q453-F562 PolarHBondContact NE2-O 3.26Å
454	E	95.5	Very high	95.5	Very high	59 Å²	59	52.8 Å²	52.8	28%	0.276	26%	0.261	S	S	.	.	S	Bend	trans	-107.5	113.7	172.6	-171.5	166.5	156.1	0	0	109.2	K445 R448 I449 G452 N460	K445-E454 WeakPolarHBondContact CE-OE1 3.49Å; R448-E454 HydrophobicContact CB-CB 3.92Å; R448-E454 IonicContact NE-OE2 2.82Å; R448-E454 PolarHBondContact NE-OE2 2.93Å; R448-E454 IonicContact NH2-OE2 3.86Å; R448-E454 PolarHBondContact O-N 2.77Å; I449-E454 HydrophobicContact CG1-CB 4.07Å; I449-E454 HydrophobicContact CG1-CG 4.27Å; G452-E454 VanDerWaalsContact C-N 3.27Å; G452-E454 PolarHBondContact O-N 3.39Å; E454-N460 PolarHBondContact O-ND2 3.18Å
455	T	97.4	Very high	95.1	Very high	72 Å²	72	53.6 Å²	53.6	44%	0.442	27%	0.271	S	S	.	.			trans	-81.6	129.1	-177.4	-65.6	0	0	0	0	111.7	V457 K461 Y462	T455-V457 HydrophobicContact CG2-CG2 4.49Å; T455-K461 HydrophobicContact CG2-CB 3.85Å; T455-K461 HydrophobicContact CG2-CD 3.98Å; T455-Y462 HydrophobicContact CG2-CE2 4.41Å
456	I	97.7	Very high	94.5	Very high	34 Å²	34	56 Å²	56	17%	0.174	29%	0.292	C	S	.	.			trans	-117.8	107.4	166.3	-55.7	-177.3	0	0	0	108.5	T329 I449 G458 V459 N460	T329-I456 HydrophobicContact CG2-CG2 3.61Å; I449-I456 HydrophobicContact CD1-CD1 3.89Å; I449-I456 HydrophobicContact CG1-CD1 3.97Å; I449-I456 HydrophobicContact CG1-CG1 4.5Å; I449-I456 HydrophobicContact CG2-CD1 3.79Å; I449-I456 HydrophobicContact CG2-CG1 4.4Å; I456-G458 PolarHBondContact O-N 2.73Å; I456-V459 HydrophobicContact CB-CB 4.04Å; I456-V459 HydrophobicContact CB-CG2 4.37Å; I456-V459 HydrophobicContact CG2-CB 3.77Å; I456-V459 HydrophobicContact CG2-CG2 3.53Å; I456-V459 PolarHBondContact O-N 3.25Å; I456-N460 PolarHBondContact N-OD1 3.43Å; I456-N460 PolarHBondContact O-N 3.06Å; I456-N460 PolarHBondContact O-OD1 2.96Å
457	V	97.6	Very high	93.8	Very high	64 Å²	64	59.4 Å²	59.4	39%	0.388	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-58.7	129.7	179.6	-179.7	0	0	0	0	110.5	R339 T455 V459 K461 Y462	R339-V457 PolarHBondContact NH2-O 2.88Å; T455-V457 HydrophobicContact CG2-CG2 4.49Å; V457-V459 VanDerWaalsContact C-N 3.28Å; V457-V459 PolarHBondContact O-N 2.75Å; V457-K461 WeakPolarHBondContact CA-O 3.35Å; V457-Y462 HydrophobicContact CG1-CD2 4.22Å; V457-Y462 HydrophobicContact CG2-CD2 4.12Å; V457-Y462 HydrophobicContact CG2-CE2 4.44Å
458	G	94.6	Very high	93.2	Very high	5 Å²	5	65.4 Å²	65.4	5%	0.052	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-13.8	-177.3	0	0	0	0	0	114.2	Q331 I456 K461	Q331-G458 WeakPolarHBondContact CB-O 3.34Å; I456-G458 PolarHBondContact O-N 2.73Å; G458-K461 PolarHBondContact N-O 2.9Å
459	V	94.8	Very high	92.3	Very high	10 Å²	10	68.8 Å²	68.8	6%	0.061	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-68.4	-174.1	-176.1	0	0	0	0	112	T329 Q331 I456 V457 K463	T329-V459 HydrophobicContact CG2-CG2 3.52Å; Q331-V459 HydrophobicContact CB-CG2 4.33Å; I456-V459 HydrophobicContact CB-CB 4.04Å; I456-V459 HydrophobicContact CB-CG2 4.37Å; I456-V459 HydrophobicContact CG2-CB 3.77Å; I456-V459 HydrophobicContact CG2-CG2 3.53Å; I456-V459 PolarHBondContact O-N 3.25Å; V457-V459 VanDerWaalsContact C-N 3.28Å; V457-V459 PolarHBondContact O-N 2.75Å; V459-K463 WeakPolarHBondContact O-CD 3.4Å; V459-K463 WeakPolarHBondContact O-CE 3.41Å; V459-K463 WeakPolarHBondContact O-CG 3.16Å; V459-K463 PolarHBondContact O-NZ 3.35Å
460	N	95.7	Very high	91.4	Very high	30 Å²	30	75.3 Å²	75.3	16%	0.16	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-17.5	178.4	70.7	0.9	0	0	0	112.7	I449 E454 I456 L698	I449-N460 PolarHBondContact O-ND2 3.03Å; E454-N460 PolarHBondContact O-ND2 3.18Å; I456-N460 PolarHBondContact N-OD1 3.43Å; I456-N460 PolarHBondContact O-N 3.06Å; I456-N460 PolarHBondContact O-OD1 2.96Å; N460-L698 HydrophobicContact CB-CD2 4.49Å
461	K	96.5	Very high	90.5	Very high	99 Å²	99	81.3 Å²	81.3	43%	0.43	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-141.5	147.2	176.1	-160.5	173.4	-178	172.2	0	110.9	T455 V457 G458 K463	T455-K461 HydrophobicContact CG2-CB 3.85Å; T455-K461 HydrophobicContact CG2-CD 3.98Å; V457-K461 WeakPolarHBondContact CA-O 3.35Å; G458-K461 PolarHBondContact N-O 2.9Å; K461-K463 VanDerWaalsContact C-N 3.32Å
462	Y	96.1	Very high	89.8	Confident	153 Å²	153	81.1 Å²	81.1	60%	0.6	43%	0.432	S	S	*	.	S	Bend	trans	58.4	43.8	-176.2	-40.5	-72.8	0	0	0	112.1	T455 V457	T455-Y462 HydrophobicContact CG2-CE2 4.41Å; V457-Y462 HydrophobicContact CG1-CD2 4.22Å; V457-Y462 HydrophobicContact CG2-CD2 4.12Å; V457-Y462 HydrophobicContact CG2-CE2 4.44Å
463	K	94	Very high	89.1	Confident	128 Å²	128	87.1 Å²	87.1	56%	0.557	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-65.3	140	178.7	-50.6	-167.3	-164.7	-148.8	0	109.7	V459 K461	V459-K463 WeakPolarHBondContact O-CD 3.4Å; V459-K463 WeakPolarHBondContact O-CE 3.41Å; V459-K463 WeakPolarHBondContact O-CG 3.16Å; V459-K463 PolarHBondContact O-NZ 3.35Å; K461-K463 VanDerWaalsContact C-N 3.32Å
464	L	90.8	Very high	88.4	Confident	54 Å²	54	82.6 Å²	82.6	28%	0.283	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-68.1	146.9	169.7	-72.6	175.8	0	0	0	110.1	D332 M468 Q469	D332-L464 HydrophobicContact CB-CD1 3.74Å; D332-L464 HydrophobicContact CB-CG 4.35Å; L464-M468 HydrophobicContact CD2-CB 4.48Å; L464-Q469 HydrophobicContact CB-CG 4.37Å
465	D	89	Confident	87.6	Confident	92 Å²	92	83 Å²	83	49%	0.492	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-62.6	139.5	164.4	-172.5	-79.7	0	0	0	108.9	S467 M468 Q469	D465-S467 PolarHBondContact O-N 3.23Å; D465-S467 VanDerWaalsContact O-N 3.09Å; D465-S467 VanDerWaalsContact OD1-CB 3.28Å; D465-S467 WeakPolarHBondContact OD1-CB 3.38Å; D465-S467 PolarHBondContact OD1-N 3.18Å; D465-S467 PolarHBondContact OD1-OG 3.01Å; D465-M468 HydrophobicContact CB-CG 4.3Å; D465-M468 WeakPolarHBondContact O-CA 3.28Å; D465-M468 WeakPolarHBondContact O-CB 3.44Å; D465-M468 PolarHBondContact O-N 3.32Å; D465-Q469 PolarHBondContact O-N 2.82Å
466	P	82.7	Confident	86.7	Confident	103 Å²	103	84.3 Å²	84.3	67%	0.669	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-52.9	-31.3	178.5	-28.2	35.6	0	0	0	114	M468 Q469	P466-M468 PolarHBondContact O-N 3.29Å; P466-Q469 PolarHBondContact O-N 3.25Å
467	S	83.4	Confident	85.8	Confident	104 Å²	104	84 Å²	84	73%	0.727	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-69.1	-15.3	176.4	65.6	0	0	0	0	114.3	D465	D465-S467 PolarHBondContact O-N 3.23Å; D465-S467 VanDerWaalsContact O-N 3.09Å; D465-S467 VanDerWaalsContact OD1-CB 3.28Å; D465-S467 WeakPolarHBondContact OD1-CB 3.38Å; D465-S467 PolarHBondContact OD1-N 3.18Å; D465-S467 PolarHBondContact OD1-OG 3.01Å
468	M	83.8	Confident	85.3	Confident	126 Å²	126	85.5 Å²	85.5	62%	0.621	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-102.1	-3	178.2	-61.7	-172.6	69.5	0	0	113.1	L464 D465 P466 E470	L464-M468 HydrophobicContact CD2-CB 4.48Å; D465-M468 HydrophobicContact CB-CG 4.3Å; D465-M468 WeakPolarHBondContact O-CA 3.28Å; D465-M468 WeakPolarHBondContact O-CB 3.44Å; D465-M468 PolarHBondContact O-N 3.32Å; P466-M468 PolarHBondContact O-N 3.29Å; M468-E470 PolarHBondContact O-N 3.43Å
469	Q	77	Confident	85	Confident	109 Å²	109	86.1 Å²	86.1	51%	0.509	45%	0.448	S	S	.	.			trans	-71.9	115.2	177.7	-76.3	-172.5	-27.5	0	0	110.3	L464 D465 P466	L464-Q469 HydrophobicContact CB-CG 4.37Å; D465-Q469 PolarHBondContact O-N 2.82Å; P466-Q469 PolarHBondContact O-N 3.25Å
470	E	77	Confident	84.7	Confident	142 Å²	142	88.5 Å²	88.5	66%	0.664	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-78.4	140.5	172.2	-67	-173.9	-179.7	0	0	110.8	M468	M468-E470 PolarHBondContact O-N 3.43Å
471	T	75.4	Confident	84.5	Confident	141 Å²	141	93.6 Å²	93.6	87%	0.865	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-82.3	124.9	171.4	-7.8	0	0	0	0	109.1
472	V	79.9	Confident	84.3	Confident	27 Å²	27	89.5 Å²	89.5	16%	0.164	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-96.4	136.5	172.8	-177.3	0	0	0	0	108.8	P333 F360 D361 L364 V474	P333-V472 HydrophobicContact CG-CG2 3.59Å; F360-V472 HydrophobicContact CE2-CG1 4.05Å; F360-V472 HydrophobicContact CE2-CG2 4.45Å; F360-V472 HydrophobicContact CZ-CG1 4.43Å; D361-V472 HydrophobicContact CB-CG1 4.16Å; L364-V472 HydrophobicContact CD1-CB 3.9Å; L364-V472 HydrophobicContact CD1-CG1 4.34Å; L364-V472 HydrophobicContact CD1-CG2 4.35Å; V472-V474 PolarHBondContact O-N 3.02Å
473	E	78.4	Confident	84.2	Confident	164 Å²	164	85.4 Å²	85.4	77%	0.766	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-66.7	120.7	175.2	-167.8	177.7	-170.8	0	0	109.7	T368	T368-E473 WeakPolarHBondContact CG2-O 3.49Å
474	V	79.5	Confident	84.3	Confident	19 Å²	19	85.2 Å²	85.2	12%	0.115	45%	0.451	C	S	.	.			trans	-105.8	134.2	177.4	-175.7	0	0	0	0	109	L364 V472 V476 P677	L364-V474 HydrophobicContact CB-CG2 3.77Å; L364-V474 WeakPolarHBondContact O-CG1 2.94Å; V472-V474 PolarHBondContact O-N 3.02Å; V474-V476 PolarHBondContact O-N 3.46Å; V474-P677 HydrophobicContact CG1-CG 4.44Å
475	L	78.5	Confident	84.6	Confident	68 Å²	68	85.7 Å²	85.7	36%	0.356	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-65.6	118.2	175.6	-172.5	70.8	0	0	0	110.3	F83 L366	F83-L475 HydrophobicContact CD1-CD2 4.16Å; F83-L475 HydrophobicContact CE1-CD2 4.15Å; L366-L475 HydrophobicContact CB-CB 4.31Å; L366-L475 HydrophobicContact CB-CD2 3.98Å; L366-L475 HydrophobicContact CD1-CD2 4.19Å
476	V	77.8	Confident	84.9	Confident	99 Å²	99	81.6 Å²	81.6	60%	0.6	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-96.2	127.6	174.3	-179.5	0	0	0	0	109.6	V474	V474-V476 PolarHBondContact O-N 3.46Å
477	V	80.1	Confident	85.7	Confident	27 Å²	27	79.6 Å²	79.6	16%	0.164	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-98.7	123.9	177.3	177.2	0	0	0	0	109.8	S84 M129 L366 N479	S84-V477 WeakPolarHBondContact OG-CG1 3.38Å; S84-V477 WeakPolarHBondContact OG-CG2 3.37Å; M129-V477 HydrophobicContact CE-CB 4.24Å; M129-V477 HydrophobicContact SD-CB 4.07Å; M129-V477 HydrophobicContact SD-CG1 3.76Å; L366-V477 HydrophobicContact CD1-CG2 4.2Å; V477-N479 PolarHBondContact O-N 3.36Å
478	D	85.5	Confident	86.3	Confident	95 Å²	95	77.5 Å²	77.5	51%	0.508	41%	0.407	S	S	.	.			trans	-82.1	88.8	168.1	-177.7	-10.8	0	0	0	109.8	T480 K481 V482	D478-T480 PolarHBondContact O-N 3.42Å; D478-T480 PolarHBondContact OD1-N 3.28Å; D478-T480 VanDerWaalsContact OD1-N 3.15Å; D478-K481 HydrophobicContact CB-CB 4.34Å; D478-K481 PolarHBondContact O-N 2.83Å; D478-K481 PolarHBondContact OD1-N 3.2Å; D478-K481 VanDerWaalsContact OD1-N 3.15Å; D478-V482 WeakPolarHBondContact O-CG2 3.41Å; D478-V482 PolarHBondContact O-N 2.87Å
479	N	88.3	Confident	87	Confident	18 Å²	18	73.8 Å²	73.8	10%	0.096	39%	0.387	C	S	.	.	H	α-helix	trans	-61.5	-29.4	-177.7	91.8	-52.7	0	0	0	112.7	H124 M129 V477 V482 R483	H124-N479 PolarHBondContact O-ND2 3.35Å; M129-N479 HydrophobicContact CG-CB 4.28Å; M129-N479 HydrophobicContact SD-CB 3.35Å; M129-N479 WeakPolarHBondContact SD-CB 3.5Å; V477-N479 PolarHBondContact O-N 3.36Å; N479-V482 PolarHBondContact O-N 3.42Å; N479-R483 VanDerWaalsContact O-CB 3.24Å; N479-R483 WeakPolarHBondContact O-CB 3.2Å; N479-R483 PolarHBondContact O-N 2.98Å
480	T	89.8	Confident	88	Confident	61 Å²	61	68.8 Å²	68.8	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-68.9	-48.8	-175.6	-64.6	0	0	0	0	109.3	D478 V482 R483 E484	D478-T480 PolarHBondContact O-N 3.42Å; D478-T480 PolarHBondContact OD1-N 3.28Å; D478-T480 VanDerWaalsContact OD1-N 3.15Å; T480-V482 PolarHBondContact O-N 2.91Å; T480-R483 PolarHBondContact O-N 3.38Å; T480-E484 WeakPolarHBondContact O-CG 3.27Å; T480-E484 PolarHBondContact O-N 3.3Å
481	K	91.7	Very high	89	Confident	137 Å²	137	68.1 Å²	68.1	60%	0.596	36%	0.358	S	S	*	.	H	α-helix	trans	-61.7	-41.8	176.7	-175.3	-178.9	178.9	-174.9	0	112.8	D478 T485	D478-K481 HydrophobicContact CB-CB 4.34Å; D478-K481 PolarHBondContact O-N 2.83Å; D478-K481 PolarHBondContact OD1-N 3.2Å; D478-K481 VanDerWaalsContact OD1-N 3.15Å; K481-T485 WeakPolarHBondContact O-CB 3.11Å; K481-T485 PolarHBondContact O-N 3.39Å; K481-T485 VanDerWaalsContact O-N 3.1Å; K481-T485 PolarHBondContact O-OG1 3Å
482	V	92.4	Very high	90.1	Very high	13 Å²	13	68.1 Å²	68.1	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-47.3	178.1	179.2	0	0	0	0	110.2	T85 V127 D478 N479 T480 T485 Q486	T85-V482 HydrophobicContact CG2-CG1 4.44Å; T85-V482 HydrophobicContact CG2-CG2 4Å; V127-V482 HydrophobicContact CG1-CG1 4.33Å; D478-V482 WeakPolarHBondContact O-CG2 3.41Å; D478-V482 PolarHBondContact O-N 2.87Å; N479-V482 PolarHBondContact O-N 3.42Å; T480-V482 PolarHBondContact O-N 2.91Å; V482-T485 PolarHBondContact O-N 2.92Å; V482-Q486 PolarHBondContact O-N 3.46Å
483	R	94.3	Very high	90.9	Very high	67 Å²	67	67.7 Å²	67.7	25%	0.253	34%	0.343	S	S	.	.	H	α-helix	trans	-60.6	-48.5	178.5	-168.7	179.8	86.1	-152.9	6.8	112.2	H124 V127 N479 T480 T485 Q486 I487	H124-R483 PolarHBondContact O-NH1 3.38Å; V127-R483 HydrophobicContact CB-CB 4.24Å; V127-R483 HydrophobicContact CB-CG 4.29Å; V127-R483 HydrophobicContact CG1-CB 4.27Å; V127-R483 HydrophobicContact CG1-CG 4.46Å; V127-R483 HydrophobicContact CG2-CG 4.1Å; N479-R483 VanDerWaalsContact O-CB 3.24Å; N479-R483 WeakPolarHBondContact O-CB 3.2Å; N479-R483 PolarHBondContact O-N 2.98Å; T480-R483 PolarHBondContact O-N 3.38Å; R483-T485 VanDerWaalsContact C-N 3.27Å; R483-T485 PolarHBondContact O-N 3.47Å; R483-Q486 PolarHBondContact O-N 3.15Å; R483-I487 HydrophobicContact CG-CD1 3.83Å; R483-I487 HydrophobicContact CG-CG1 4.34Å; R483-I487 VanDerWaalsContact O-CG1 3.25Å; R483-I487 WeakPolarHBondContact O-CG1 3.42Å; R483-I487 PolarHBondContact O-N 3.22Å
484	E	95.9	Very high	91.9	Very high	124 Å²	124	63.5 Å²	63.5	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-58.5	-41.2	178.1	-74.1	178.8	171.4	0	0	112.1	T480 A488	T480-E484 WeakPolarHBondContact O-CG 3.27Å; T480-E484 PolarHBondContact O-N 3.3Å; E484-A488 WeakPolarHBondContact O-CB 3.4Å; E484-A488 PolarHBondContact O-N 3.47Å
485	T	95.5	Very high	92.7	Very high	64 Å²	64	68.9 Å²	68.9	39%	0.393	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-46.2	177.3	-58.2	0	0	0	0	111.4	K481 V482 R483 A488 K489	K481-T485 WeakPolarHBondContact O-CB 3.11Å; K481-T485 PolarHBondContact O-N 3.39Å; K481-T485 VanDerWaalsContact O-N 3.1Å; K481-T485 PolarHBondContact O-OG1 3Å; V482-T485 PolarHBondContact O-N 2.92Å; R483-T485 VanDerWaalsContact C-N 3.27Å; R483-T485 PolarHBondContact O-N 3.47Å; T485-A488 PolarHBondContact O-N 2.98Å; T485-K489 WeakPolarHBondContact O-CG 3.2Å; T485-K489 PolarHBondContact O-N 3.26Å
486	Q	96.9	Very high	93.7	Very high	6 Å²	6	70.6 Å²	70.6	3%	0.028	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-42.7	178.4	-74.8	-52.8	106	0	0	112.5	A133 D135 D139 V482 R483 A488 K489 L490	A133-Q486 HydrophobicContact CB-CG 3.84Å; D135-Q486 PolarHBondContact OD2-NE2 2.92Å; D139-Q486 PolarHBondContact OD1-NE2 3.47Å; V482-Q486 PolarHBondContact O-N 3.46Å; R483-Q486 PolarHBondContact O-N 3.15Å; Q486-A488 VanDerWaalsContact C-N 3.29Å; Q486-A488 PolarHBondContact O-N 2.96Å; Q486-K489 PolarHBondContact O-N 3.35Å; Q486-K489 VanDerWaalsContact OE1-NZ 3.14Å; Q486-L490 WeakPolarHBondContact O-CB 3.29Å; Q486-L490 PolarHBondContact O-N 2.95Å
487	I	97.8	Very high	94.6	Very high	60 Å²	60	68 Å²	68	31%	0.308	34%	0.337	S	S	.	.	H	α-helix	trans	-58.6	-42.8	174.8	-67.6	173.7	0	0	0	110.8	D119 R483 L490 K491	D119-I487 HydrophobicContact CB-CD1 4.39Å; D119-I487 HydrophobicContact CB-CG1 3.92Å; R483-I487 HydrophobicContact CG-CD1 3.83Å; R483-I487 HydrophobicContact CG-CG1 4.34Å; R483-I487 VanDerWaalsContact O-CG1 3.25Å; R483-I487 WeakPolarHBondContact O-CG1 3.42Å; R483-I487 PolarHBondContact O-N 3.22Å; I487-L490 PolarHBondContact O-N 3.35Å; I487-K491 WeakPolarHBondContact O-CB 3.37Å; I487-K491 PolarHBondContact O-N 3.25Å
488	A	97.8	Very high	95.5	Very high	61 Å²	61	70.4 Å²	70.4	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-42	177.2	0	0	0	0	0	112.5	E484 T485 Q486 K492	E484-A488 WeakPolarHBondContact O-CB 3.4Å; E484-A488 PolarHBondContact O-N 3.47Å; T485-A488 PolarHBondContact O-N 2.98Å; Q486-A488 VanDerWaalsContact C-N 3.29Å; Q486-A488 PolarHBondContact O-N 2.96Å; A488-K492 PolarHBondContact O-N 3.2Å; A488-K492 VanDerWaalsContact O-N 3.12Å
489	K	97.4	Very high	96.1	Very high	48 Å²	48	68.6 Å²	68.6	21%	0.209	34%	0.344	C	S	.	.	H	α-helix	trans	-60.5	-48.5	173.8	-72.8	177.3	-177.2	175.3	0	111	E87 D139 T485 Q486 K491 K492 I493	E87-K489 IonicContact OE1-NZ 3.47Å; E87-K489 PolarHBondContact OE1-NZ 2.86Å; E87-K489 IonicContact OE2-NZ 3.76Å; D139-K489 IonicContact OD1-NZ 2.81Å; T485-K489 WeakPolarHBondContact O-CG 3.2Å; T485-K489 PolarHBondContact O-N 3.26Å; Q486-K489 PolarHBondContact O-N 3.35Å; Q486-K489 VanDerWaalsContact OE1-NZ 3.14Å; K489-K491 PolarHBondContact O-N 3.02Å; K489-K492 PolarHBondContact O-N 2.76Å; K489-I493 WeakPolarHBondContact O-CG1 3.21Å; K489-I493 PolarHBondContact O-N 3.14Å
490	L	97.8	Very high	96.6	Very high	3 Å²	3	73.5 Å²	73.5	2%	0.016	37%	0.366	C	S	.	.	H	α-helix	trans	-62.2	-43.3	-178.5	-170.7	61.7	0	0	0	112.1	D117 D119 D135 Q486 I487 K492 I493 R494	D117-L490 HydrophobicContact CB-CD2 3.77Å; D119-L490 HydrophobicContact CB-CD2 4.22Å; D135-L490 HydrophobicContact CB-CD1 4.07Å; Q486-L490 WeakPolarHBondContact O-CB 3.29Å; Q486-L490 PolarHBondContact O-N 2.95Å; I487-L490 PolarHBondContact O-N 3.35Å; L490-K492 PolarHBondContact O-N 3.12Å; L490-I493 PolarHBondContact O-N 3.05Å; L490-R494 WeakPolarHBondContact O-CG 3.39Å; L490-R494 PolarHBondContact O-N 3.44Å
491	K	98.3	Very high	97	Very high	128 Å²	128	77.1 Å²	77.1	56%	0.557	38%	0.377	S	S	*	.	H	α-helix	trans	-57.7	-49.4	173.9	-178.2	176.2	174.9	179.6	0	111.4	I487 K489 I493 R494 E495	I487-K491 WeakPolarHBondContact O-CB 3.37Å; I487-K491 PolarHBondContact O-N 3.25Å; K489-K491 PolarHBondContact O-N 3.02Å; K491-I493 VanDerWaalsContact C-N 3.32Å; K491-I493 PolarHBondContact O-N 2.94Å; K491-R494 PolarHBondContact O-N 2.86Å; K491-E495 WeakPolarHBondContact CE-OE1 3.4Å; K491-E495 WeakPolarHBondContact CG-OE1 3.29Å; K491-E495 WeakPolarHBondContact O-CB 3.16Å; K491-E495 WeakPolarHBondContact O-CG 3.37Å; K491-E495 PolarHBondContact O-N 3.31Å
492	K	98.3	Very high	97.3	Very high	141 Å²	141	70.6 Å²	70.6	61%	0.613	35%	0.349	S	S	*	.	H	α-helix	trans	-60.3	-40.9	178.5	-177	178.8	179	-178.3	0	112.2	A488 K489 L490 E495 T496	A488-K492 PolarHBondContact O-N 3.2Å; A488-K492 VanDerWaalsContact O-N 3.12Å; K489-K492 PolarHBondContact O-N 2.76Å; L490-K492 PolarHBondContact O-N 3.12Å; K492-E495 PolarHBondContact O-N 3.38Å; K492-T496 HydrophobicContact CG-CG2 4.45Å; K492-T496 WeakPolarHBondContact O-CB 3.49Å; K492-T496 WeakPolarHBondContact O-CG2 3.46Å; K492-T496 PolarHBondContact O-N 2.6Å; K492-T496 VanDerWaalsContact O-N 3.08Å; K492-T496 PolarHBondContact O-OG1 3.45Å
493	I	97.7	Very high	97.6	Very high	18 Å²	18	75.9 Å²	75.9	9%	0.092	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-48	177.8	-69.4	168.9	0	0	0	110.6	S136 E138 K489 L490 K491 E495 T496 R497 R530	S136-I493 WeakPolarHBondContact OG-CD1 3.3Å; E138-I493 HydrophobicContact CB-CD1 3.95Å; E138-I493 HydrophobicContact CG-CD1 3.85Å; E138-I493 HydrophobicContact CG-CG1 4.19Å; K489-I493 WeakPolarHBondContact O-CG1 3.21Å; K489-I493 PolarHBondContact O-N 3.14Å; L490-I493 PolarHBondContact O-N 3.05Å; K491-I493 VanDerWaalsContact C-N 3.32Å; K491-I493 PolarHBondContact O-N 2.94Å; I493-E495 VanDerWaalsContact C-N 3.29Å; I493-E495 PolarHBondContact O-N 3.44Å; I493-T496 PolarHBondContact O-N 3.16Å; I493-R497 WeakPolarHBondContact O-CB 3.36Å; I493-R497 WeakPolarHBondContact O-CG 3.36Å; I493-R497 PolarHBondContact O-N 3.05Å; I493-R530 HydrophobicContact CG2-CB 3.82Å; I493-R530 HydrophobicContact CG2-CG 4.15Å
494	R	98.1	Very high	97.8	Very high	76 Å²	76	76.8 Å²	76.8	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-63.3	-34.3	179.1	-70.4	175	-179.9	157.8	0.5	112.3	D117 D119 L490 K491 E535	D117-R494 IonicContact OD2-CZ 3.3Å; D117-R494 IonicContact OD2-NH2 3.08Å; D117-R494 PolarHBondContact OD2-NH2 2.91Å; D119-R494 IonicContact OD1-NH2 2.68Å; D119-R494 IonicContact OD2-CZ 2.67Å; D119-R494 IonicContact OD2-NH1 3.55Å; D119-R494 PolarHBondContact OD2-NH1 3.3Å; D119-R494 IonicContact OD2-NH2 3.12Å; L490-R494 WeakPolarHBondContact O-CG 3.39Å; L490-R494 PolarHBondContact O-N 3.44Å; K491-R494 PolarHBondContact O-N 2.86Å; R494-E535 IonicContact NE-OE1 3.56Å
495	E	97.9	Very high	97.9	Very high	132 Å²	132	71.2 Å²	71.2	62%	0.617	35%	0.353	S	S	*	.	H	α-helix	trans	-71.6	-31.8	175.9	-74.7	172.2	177.8	0	0	113.8	K491 K492 I493	K491-E495 WeakPolarHBondContact CE-OE1 3.4Å; K491-E495 WeakPolarHBondContact CG-OE1 3.29Å; K491-E495 WeakPolarHBondContact O-CB 3.16Å; K491-E495 WeakPolarHBondContact O-CG 3.37Å; K491-E495 PolarHBondContact O-N 3.31Å; K492-E495 PolarHBondContact O-N 3.38Å; I493-E495 VanDerWaalsContact C-N 3.29Å; I493-E495 PolarHBondContact O-N 3.44Å
496	T	97.5	Very high	98.1	Very high	104 Å²	104	69.6 Å²	69.6	64%	0.638	34%	0.341	S	S	*	.	H	α-helix	trans	-104.4	-16	-169.6	55.7	0	0	0	0	114.6	K492 I493	K492-T496 HydrophobicContact CG-CG2 4.45Å; K492-T496 WeakPolarHBondContact O-CB 3.49Å; K492-T496 WeakPolarHBondContact O-CG2 3.46Å; K492-T496 PolarHBondContact O-N 2.6Å; K492-T496 VanDerWaalsContact O-N 3.08Å; K492-T496 PolarHBondContact O-OG1 3.45Å; I493-T496 PolarHBondContact O-N 3.16Å
497	R	98.1	Very high	98.2	Very high	45 Å²	45	74.8 Å²	74.8	17%	0.17	36%	0.361	C	S	.	.	S	Bend	trans	-73.7	160.9	178	72.9	-178.4	-175.9	-174.1	1.5	112.6	I493 S499 R530 E535	I493-R497 WeakPolarHBondContact O-CB 3.36Å; I493-R497 WeakPolarHBondContact O-CG 3.36Å; I493-R497 PolarHBondContact O-N 3.05Å; R497-S499 PolarHBondContact O-N 3.02Å; R497-R530 HydrophobicContact CB-CB 3.94Å; R497-R530 WeakPolarHBondContact CD-O 3.49Å; R497-R530 PolarHBondContact NH1-O 2.83Å; R497-E535 IonicContact CZ-OE1 3.73Å; R497-E535 IonicContact CZ-OE2 2.77Å; R497-E535 IonicContact NH1-OE1 2.75Å; R497-E535 PolarHBondContact NH1-OE1 2.93Å; R497-E535 IonicContact NH1-OE2 3.9Å; R497-E535 PolarHBondContact NH1-OE2 3.44Å; R497-E535 IonicContact NH2-OE1 3.3Å; R497-E535 PolarHBondContact NH2-OE1 3.29Å; R497-E535 IonicContact NH2-OE2 2.71Å
498	D	98.4	Very high	98.2	Very high	78 Å²	78	74.3 Å²	74.3	42%	0.417	36%	0.359	S	S	.	.			trans	-71.8	98.7	167.6	-174.6	-27.9	0	0	0	109.6	E500 K501 A502	D498-E500 VanDerWaalsContact C-N 3.29Å; D498-E500 PolarHBondContact O-N 3.33Å; D498-E500 PolarHBondContact OD1-N 2.84Å; D498-K501 HydrophobicContact CB-CB 4.1Å; D498-K501 HydrophobicContact CB-CD 4.13Å; D498-K501 HydrophobicContact CB-CG 4.28Å; D498-K501 PolarHBondContact O-N 2.85Å; D498-K501 PolarHBondContact OD1-N 3.18Å; D498-K501 VanDerWaalsContact OD1-N 3.11Å; D498-K501 WeakPolarHBondContact OD2-CD 3.5Å; D498-K501 WeakPolarHBondContact OD2-CE 3.34Å; D498-K501 WeakPolarHBondContact OD2-CG 3.43Å; D498-K501 IonicContact OD2-NZ 3.3Å; D498-K501 PolarHBondContact OD2-NZ 2.83Å; D498-A502 PolarHBondContact O-N 3.37Å
499	S	97.7	Very high	98.3	Very high	56 Å²	56	71.4 Å²	71.4	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-32.8	-174.7	-71.4	0	0	0	0	113.5	R497 K503	R497-S499 PolarHBondContact O-N 3.02Å; S499-K503 VanDerWaalsContact O-CG 3.31Å; S499-K503 WeakPolarHBondContact O-CG 3.5Å; S499-K503 PolarHBondContact O-N 3.5Å
500	E	98.4	Very high	98.3	Very high	122 Å²	122	69.8 Å²	69.8	57%	0.57	33%	0.328	S	S	*	.	H	α-helix	trans	-75.6	-39.3	-179.5	-66.8	-55	119	0	0	111.1	D498 A502 K503 E504	D498-E500 VanDerWaalsContact C-N 3.29Å; D498-E500 PolarHBondContact O-N 3.33Å; D498-E500 PolarHBondContact OD1-N 2.84Å; E500-A502 VanDerWaalsContact C-N 3.34Å; E500-A502 PolarHBondContact O-N 2.9Å; E500-K503 PolarHBondContact O-N 2.81Å; E500-K503 IonicContact OE1-NZ 3.72Å; E500-K503 PolarHBondContact OE1-NZ 3.32Å; E500-E504 PolarHBondContact O-N 3.02Å
501	K	98.3	Very high	98.4	Very high	136 Å²	136	71.6 Å²	71.6	59%	0.591	34%	0.338	S	S	*	.	H	α-helix	trans	-63.5	-39.5	171.2	-72.3	-177.6	-168.7	160.6	0	112.6	D498 E504 A505 A529	D498-K501 HydrophobicContact CB-CB 4.1Å; D498-K501 HydrophobicContact CB-CD 4.13Å; D498-K501 HydrophobicContact CB-CG 4.28Å; D498-K501 PolarHBondContact O-N 2.85Å; D498-K501 PolarHBondContact OD1-N 3.18Å; D498-K501 VanDerWaalsContact OD1-N 3.11Å; D498-K501 WeakPolarHBondContact OD2-CD 3.5Å; D498-K501 WeakPolarHBondContact OD2-CE 3.34Å; D498-K501 WeakPolarHBondContact OD2-CG 3.43Å; D498-K501 IonicContact OD2-NZ 3.3Å; D498-K501 PolarHBondContact OD2-NZ 2.83Å; K501-E504 PolarHBondContact O-N 2.83Å; K501-A505 WeakPolarHBondContact O-CB 3.22Å; K501-A505 PolarHBondContact O-N 2.81Å; K501-A529 HydrophobicContact CB-CB 4.45Å
502	A	98.7	Very high	98.4	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-48	176.6	0	0	0	0	0	111.2	D498 E500 E504 A505 L506 C531	D498-A502 PolarHBondContact O-N 3.37Å; E500-A502 VanDerWaalsContact C-N 3.34Å; E500-A502 PolarHBondContact O-N 2.9Å; A502-E504 PolarHBondContact O-N 3.13Å; A502-A505 PolarHBondContact O-N 3.05Å; A502-L506 WeakPolarHBondContact O-CG 3.31Å; A502-L506 PolarHBondContact O-N 3.3Å; A502-C531 PolarHBondContact O-SG 3.45Å
503	K	98.6	Very high	98.4	Very high	124 Å²	124	59 Å²	59	54%	0.539	28%	0.284	S	S	.	.	H	α-helix	trans	-59.1	-46.1	176.2	-72.8	171.2	-171.1	168	0	112.4	S499 E500 L506 R507	S499-K503 VanDerWaalsContact O-CG 3.31Å; S499-K503 WeakPolarHBondContact O-CG 3.5Å; S499-K503 PolarHBondContact O-N 3.5Å; E500-K503 PolarHBondContact O-N 2.81Å; E500-K503 IonicContact OE1-NZ 3.72Å; E500-K503 PolarHBondContact OE1-NZ 3.32Å; K503-L506 PolarHBondContact O-N 3.36Å; K503-R507 PolarHBondContact O-N 3.31Å
504	E	98.6	Very high	98.4	Very high	85 Å²	85	64.1 Å²	64.1	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-41.7	179.4	177.6	56.4	-165.4	0	0	111.7	E500 K501 A502 L506 R507 L508	E500-E504 PolarHBondContact O-N 3.02Å; K501-E504 PolarHBondContact O-N 2.83Å; A502-E504 PolarHBondContact O-N 3.13Å; E504-L506 PolarHBondContact O-N 2.94Å; E504-R507 WeakPolarHBondContact O-CB 3.4Å; E504-R507 PolarHBondContact O-N 2.92Å; E504-R507 IonicContact OE1-CZ 2.74Å; E504-R507 IonicContact OE1-NE 3.43Å; E504-R507 PolarHBondContact OE1-NE 3.32Å; E504-R507 IonicContact OE1-NH2 3.77Å; E504-R507 PolarHBondContact OE1-NH2 2.92Å; E504-R507 IonicContact OE2-CZ 3.68Å; E504-R507 IonicContact OE2-NE 2.63Å; E504-R507 PolarHBondContact OE2-NE 3.24Å; E504-R507 IonicContact OE2-NH2 2.62Å; E504-L508 WeakPolarHBondContact O-CG 3.47Å; E504-L508 PolarHBondContact O-N 3.13Å
505	A	98.7	Very high	98.2	Very high	7 Å²	7	63.1 Å²	63.1	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-40.8	177.5	0	0	0	0	0	112.3	K501 A502 L508 V509 A526 A529	K501-A505 WeakPolarHBondContact O-CB 3.22Å; K501-A505 PolarHBondContact O-N 2.81Å; A502-A505 PolarHBondContact O-N 3.05Å; A505-L508 WeakPolarHBondContact O-CB 3.46Å; A505-L508 PolarHBondContact O-N 3.2Å; A505-V509 WeakPolarHBondContact O-CG2 3.46Å; A505-V509 PolarHBondContact O-N 2.92Å; A505-A526 HydrophobicContact CB-CB 3.95Å; A505-A529 HydrophobicContact CB-CB 4.25Å
506	L	98.8	Very high	98.1	Very high	30 Å²	30	63.2 Å²	63.2	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-40.7	174.1	-67.9	172	0	0	0	111.8	A502 K503 E504 L508 V509 T510 C531 E535 I536 A539	A502-L506 WeakPolarHBondContact O-CG 3.31Å; A502-L506 PolarHBondContact O-N 3.3Å; K503-L506 PolarHBondContact O-N 3.36Å; E504-L506 PolarHBondContact O-N 2.94Å; L506-L508 VanDerWaalsContact C-N 3.26Å; L506-L508 PolarHBondContact O-N 2.96Å; L506-V509 WeakPolarHBondContact O-CA 3.07Å; L506-V509 WeakPolarHBondContact O-CB 3.44Å; L506-V509 PolarHBondContact O-N 3.46Å; L506-T510 PolarHBondContact O-N 3.41Å; L506-T510 PolarHBondContact O-OG1 3.35Å; L506-C531 HydrophobicContact CD2-CB 3.97Å; L506-C531 HydrophobicContact CG-CB 4.37Å; L506-E535 HydrophobicContact CD1-CB 3.94Å; L506-E535 HydrophobicContact CD1-CG 4.42Å; L506-E535 HydrophobicContact CD2-CB 3.93Å; L506-E535 WeakPolarHBondContact CD2-O 3.5Å; L506-I536 HydrophobicContact CD2-CG1 4.06Å; L506-A539 HydrophobicContact CD2-CB 4.24Å
507	R	98.6	Very high	98	Very high	116 Å²	116	60.8 Å²	60.8	44%	0.438	32%	0.315	S	S	.	.	H	α-helix	trans	-57.6	-40.5	174	-168.3	-168	70.9	75.7	4.9	111.7	K503 E504 T510 L511	K503-R507 PolarHBondContact O-N 3.31Å; E504-R507 WeakPolarHBondContact O-CB 3.4Å; E504-R507 PolarHBondContact O-N 2.92Å; E504-R507 IonicContact OE1-CZ 2.74Å; E504-R507 IonicContact OE1-NE 3.43Å; E504-R507 PolarHBondContact OE1-NE 3.32Å; E504-R507 IonicContact OE1-NH2 3.77Å; E504-R507 PolarHBondContact OE1-NH2 2.92Å; E504-R507 IonicContact OE2-CZ 3.68Å; E504-R507 IonicContact OE2-NE 2.63Å; E504-R507 PolarHBondContact OE2-NE 3.24Å; E504-R507 IonicContact OE2-NH2 2.62Å; R507-T510 PolarHBondContact O-N 3.4Å; R507-L511 PolarHBondContact O-N 2.88Å
508	L	98.6	Very high	98	Very high	50 Å²	50	59.8 Å²	59.8	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-35.2	175.3	-66.8	174.3	0	0	0	112.5	E504 A505 L506 L511 A512 T522	E504-L508 WeakPolarHBondContact O-CG 3.47Å; E504-L508 PolarHBondContact O-N 3.13Å; A505-L508 WeakPolarHBondContact O-CB 3.46Å; A505-L508 PolarHBondContact O-N 3.2Å; L506-L508 VanDerWaalsContact C-N 3.26Å; L506-L508 PolarHBondContact O-N 2.96Å; L508-L511 PolarHBondContact O-N 3.04Å; L508-A512 WeakPolarHBondContact O-CB 3.16Å; L508-A512 PolarHBondContact O-N 2.98Å; L508-T522 HydrophobicContact CB-CG2 4.19Å
509	V	98.8	Very high	98	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-46.4	171.5	174.2	0	0	0	0	110.5	A505 L506 L511 A512 A513 A526 I536 A539 M540	A505-V509 WeakPolarHBondContact O-CG2 3.46Å; A505-V509 PolarHBondContact O-N 2.92Å; L506-V509 WeakPolarHBondContact O-CA 3.07Å; L506-V509 WeakPolarHBondContact O-CB 3.44Å; L506-V509 PolarHBondContact O-N 3.46Å; V509-L511 PolarHBondContact O-N 2.91Å; V509-A512 PolarHBondContact O-N 2.9Å; V509-A513 PolarHBondContact O-N 2.92Å; V509-A526 HydrophobicContact CG2-CB 4.16Å; V509-I536 HydrophobicContact CG1-CG2 4.45Å; V509-A539 HydrophobicContact CB-CB 4.17Å; V509-A539 HydrophobicContact CG1-CB 3.93Å; V509-M540 HydrophobicContact CG1-CG 3.71Å
510	T	98.8	Very high	98	Very high	13 Å²	13	53.4 Å²	53.4	8%	0.08	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-40.6	176.4	-51.6	0	0	0	0	112	L506 R507 A513 K514 A539 V543	L506-T510 PolarHBondContact O-N 3.41Å; L506-T510 PolarHBondContact O-OG1 3.35Å; R507-T510 PolarHBondContact O-N 3.4Å; T510-A513 WeakPolarHBondContact O-CB 3.47Å; T510-A513 PolarHBondContact O-N 2.69Å; T510-K514 PolarHBondContact O-N 3.23Å; T510-A539 PolarHBondContact OG1-O 3.26Å; T510-V543 HydrophobicContact CG2-CG2 3.87Å
511	L	98.5	Very high	98	Very high	41 Å²	41	52.3 Å²	52.3	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-43.9	174.5	-75.2	-176.2	0	0	0	112.5	R507 L508 V509 A513 K514 G515 E516	R507-L511 PolarHBondContact O-N 2.88Å; L508-L511 PolarHBondContact O-N 3.04Å; V509-L511 PolarHBondContact O-N 2.91Å; L511-A513 PolarHBondContact O-N 3.13Å; L511-K514 WeakPolarHBondContact O-CA 3.09Å; L511-K514 WeakPolarHBondContact O-CB 3.45Å; L511-K514 PolarHBondContact O-N 3.38Å; L511-G515 PolarHBondContact O-N 3.01Å; L511-E516 HydrophobicContact CB-CB 4.48Å; L511-E516 PolarHBondContact O-N 3.31Å; L511-E516 VanDerWaalsContact O-N 3.15Å
512	A	98.4	Very high	98.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-38.2	174.3	0	0	0	0	0	110.8	R210 L508 V509 K514 G515 E516 L519 T522	R210-A512 PolarHBondContact NH1-O 3.12Å; R210-A512 PolarHBondContact NH2-O 2.85Å; L508-A512 WeakPolarHBondContact O-CB 3.16Å; L508-A512 PolarHBondContact O-N 2.98Å; V509-A512 PolarHBondContact O-N 2.9Å; A512-K514 VanDerWaalsContact C-N 3.27Å; A512-K514 PolarHBondContact O-N 2.87Å; A512-G515 WeakPolarHBondContact O-CA 3.22Å; A512-G515 PolarHBondContact O-N 2.92Å; A512-E516 WeakPolarHBondContact CA-O 3.13Å; A512-L519 HydrophobicContact CB-CD2 3.88Å; A512-L519 HydrophobicContact CB-CG 4.39Å; A512-T522 HydrophobicContact CB-CG2 3.94Å
513	A	98.4	Very high	98.1	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-34.9	174.1	0	0	0	0	0	112.5	R210 V509 T510 L511 G515 L519 M540 V543 F544	R210-A513 PolarHBondContact NH1-O 3.42Å; R210-A513 VanDerWaalsContact NH1-O 3.1Å; V509-A513 PolarHBondContact O-N 2.92Å; T510-A513 WeakPolarHBondContact O-CB 3.47Å; T510-A513 PolarHBondContact O-N 2.69Å; L511-A513 PolarHBondContact O-N 3.13Å; A513-G515 PolarHBondContact O-N 3.15Å; A513-L519 HydrophobicContact CB-CD2 4.13Å; A513-M540 HydrophobicContact CB-CG 4.45Å; A513-V543 HydrophobicContact CB-CB 3.97Å; A513-V543 HydrophobicContact CB-CG1 4.39Å; A513-V543 HydrophobicContact CB-CG2 3.87Å; A513-F544 HydrophobicContact CB-CE1 4.01Å; A513-F544 HydrophobicContact CB-CE2 4.01Å; A513-F544 HydrophobicContact CB-CZ 3.57Å; A513-F544 WeakPolarHBondContact O-CE1 3.48Å; A513-F544 WeakPolarHBondContact O-CZ 3.21Å
514	K	98.1	Very high	98.1	Very high	126 Å²	126	40.8 Å²	40.8	55%	0.548	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.7	172.8	-63.9	175.2	-175.9	173.7	0	114.4	T510 L511 A512 V543	T510-K514 PolarHBondContact O-N 3.23Å; L511-K514 WeakPolarHBondContact O-CA 3.09Å; L511-K514 WeakPolarHBondContact O-CB 3.45Å; L511-K514 PolarHBondContact O-N 3.38Å; A512-K514 VanDerWaalsContact C-N 3.27Å; A512-K514 PolarHBondContact O-N 2.87Å; K514-V543 HydrophobicContact CD-CG2 4.47Å; K514-V543 HydrophobicContact CG-CG1 3.96Å; K514-V543 HydrophobicContact CG-CG2 3.76Å
515	G	95.3	Very high	98.1	Very high	55 Å²	55	40.6 Å²	40.6	57%	0.567	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	113.4	1.7	176.9	0	0	0	0	0	114.6	L511 A512 A513 G517	L511-G515 PolarHBondContact O-N 3.01Å; A512-G515 WeakPolarHBondContact O-CA 3.22Å; A512-G515 PolarHBondContact O-N 2.92Å; A513-G515 PolarHBondContact O-N 3.15Å; G515-G517 PolarHBondContact O-N 3.31Å
516	E	94.7	Very high	98.1	Very high	134 Å²	134	40.2 Å²	40.2	63%	0.626	22%	0.217	S	C	*	.	S	Bend	trans	-93.5	79.8	-177.6	-64.6	-179.8	-146.8	0	0	111.8	L511 A512	L511-E516 HydrophobicContact CB-CB 4.48Å; L511-E516 PolarHBondContact O-N 3.31Å; L511-E516 VanDerWaalsContact O-N 3.15Å; A512-E516 WeakPolarHBondContact CA-O 3.13Å
517	G	95.4	Very high	98.1	Very high	52 Å²	52	38.8 Å²	38.8	54%	0.536	21%	0.209	S	C	.	.	S	Bend	trans	106.3	-168.7	176.8	0	0	0	0	0	114.1	R210 G515	R210-G517 PolarHBondContact NH2-O 3.36Å; R210-G517 VanDerWaalsContact NH2-O 3.13Å; G515-G517 PolarHBondContact O-N 3.31Å
518	N	97.8	Very high	98.1	Very high	25 Å²	25	38.4 Å²	38.4	13%	0.134	21%	0.208	C	C	.	.			trans	-100.1	126.7	-175.9	-174.4	-81.8	0	0	0	111.2	D214 L520 E521 T522	D214-N518 WeakPolarHBondContact CA-ND2 3.34Å; D214-N518 WeakPolarHBondContact CB-ND2 3.38Å; D214-N518 PolarHBondContact O-ND2 3.48Å; N518-L520 PolarHBondContact O-N 2.97Å; N518-L520 PolarHBondContact OD1-N 2.76Å; N518-L520 VanDerWaalsContact OD1-N 3.07Å; N518-E521 HydrophobicContact CB-CB 4.02Å; N518-E521 PolarHBondContact O-N 3.44Å; N518-E521 PolarHBondContact OD1-N 2.53Å; N518-T522 PolarHBondContact O-N 3.22Å; N518-T522 PolarHBondContact O-OG1 2.91Å
519	L	98.5	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-39.3	-177.3	-76.7	169	0	0	0	113.9	I163 I211 D214 A512 A513 E521 T522 A523 M540 F544	I163-L519 HydrophobicContact CD1-CB 3.95Å; I211-L519 HydrophobicContact CG1-CD1 3.57Å; D214-L519 HydrophobicContact CB-CB 4.39Å; D214-L519 PolarHBondContact OD2-N 2.81Å; A512-L519 HydrophobicContact CB-CD2 3.88Å; A512-L519 HydrophobicContact CB-CG 4.39Å; A513-L519 HydrophobicContact CB-CD2 4.13Å; L519-E521 VanDerWaalsContact C-N 3.34Å; L519-T522 PolarHBondContact O-OG1 3.3Å; L519-T522 VanDerWaalsContact O-OG1 3.12Å; L519-A523 VanDerWaalsContact O-CB 3.23Å; L519-A523 WeakPolarHBondContact O-CB 2.91Å; L519-A523 PolarHBondContact O-N 3.23Å; L519-M540 HydrophobicContact CD1-SD 4.34Å; L519-M540 HydrophobicContact CD2-CG 4.09Å; L519-M540 HydrophobicContact CD2-SD 3.97Å; L519-F544 HydrophobicContact CD1-CE2 4.36Å; L519-F544 HydrophobicContact CD1-CZ 4.3Å
520	L	98.7	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-37.9	179.7	-179.1	59.1	0	0	0	110.7	I163 L166 A167 I170 I215 Y218 V219 N518 A523 I524	I163-L520 HydrophobicContact CD1-CB 4.08Å; L166-L520 HydrophobicContact CB-CD1 4.16Å; L166-L520 HydrophobicContact CD2-CD1 4.1Å; L166-L520 HydrophobicContact CD2-CD2 3.66Å; L166-L520 HydrophobicContact CG-CD1 4.05Å; L166-L520 HydrophobicContact CG-CD2 4.26Å; A167-L520 HydrophobicContact CB-CD1 4.3Å; I170-L520 HydrophobicContact CD1-CD2 4.42Å; I215-L520 HydrophobicContact CG1-CD2 4.37Å; Y218-L520 HydrophobicContact CD1-CD2 3.62Å; Y218-L520 HydrophobicContact CD1-CG 4.17Å; Y218-L520 HydrophobicContact CE1-CD2 4.35Å; Y218-L520 HydrophobicContact CG-CB 4.4Å; Y218-L520 HydrophobicContact CG-CD2 3.91Å; Y218-L520 HydrophobicContact CG-CG 4.25Å; V219-L520 HydrophobicContact CG2-CD2 4.42Å; N518-L520 PolarHBondContact O-N 2.97Å; N518-L520 PolarHBondContact OD1-N 2.76Å; N518-L520 VanDerWaalsContact OD1-N 3.07Å; L520-A523 PolarHBondContact O-N 2.77Å; L520-I524 HydrophobicContact CD1-CD1 4.4Å; L520-I524 HydrophobicContact CD1-CG1 4.38Å; L520-I524 HydrophobicContact CG-CD1 4.1Å; L520-I524 WeakPolarHBondContact O-CD1 3.47Å; L520-I524 VanDerWaalsContact O-CG1 3.23Å; L520-I524 WeakPolarHBondContact O-CG1 3.33Å; L520-I524 PolarHBondContact O-N 2.93Å
521	E	98.6	Very high	98.1	Very high	99 Å²	99	38.7 Å²	38.7	46%	0.463	21%	0.208	S	C	.	.	H	α-helix	trans	-62.1	-46.6	177.4	-174.4	166	-156.8	0	0	112.3	Y218 N518 L519 I524 Q525	Y218-E521 HydrophobicContact CD2-CB 3.94Å; Y218-E521 HydrophobicContact CE2-CB 3.75Å; Y218-E521 HydrophobicContact CE2-CG 4.05Å; N518-E521 HydrophobicContact CB-CB 4.02Å; N518-E521 PolarHBondContact O-N 3.44Å; N518-E521 PolarHBondContact OD1-N 2.53Å; L519-E521 VanDerWaalsContact C-N 3.34Å; E521-I524 PolarHBondContact O-N 2.7Å; E521-Q525 PolarHBondContact O-N 2.64Å
522	T	98.7	Very high	98.1	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-69.2	-36.6	177.3	54.5	0	0	0	0	111.8	L508 A512 N518 L519 I524 Q525 A526	L508-T522 HydrophobicContact CB-CG2 4.19Å; A512-T522 HydrophobicContact CB-CG2 3.94Å; N518-T522 PolarHBondContact O-N 3.22Å; N518-T522 PolarHBondContact O-OG1 2.91Å; L519-T522 PolarHBondContact O-OG1 3.3Å; L519-T522 VanDerWaalsContact O-OG1 3.12Å; T522-I524 VanDerWaalsContact C-N 3.34Å; T522-I524 PolarHBondContact O-N 2.76Å; T522-Q525 WeakPolarHBondContact O-CB 3.41Å; T522-Q525 PolarHBondContact O-N 2.91Å; T522-Q525 VanDerWaalsContact O-N 3.12Å; T522-A526 PolarHBondContact O-N 3.48Å
523	A	98.8	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-33.6	174.7	0	0	0	0	0	113.3	I163 A167 L519 L520 Q525 A526 S527 I536	I163-A523 HydrophobicContact CG2-CB 3.26Å; A167-A523 HydrophobicContact CB-CB 3.9Å; A167-A523 WeakPolarHBondContact CB-O 3.48Å; L519-A523 VanDerWaalsContact O-CB 3.23Å; L519-A523 WeakPolarHBondContact O-CB 2.91Å; L519-A523 PolarHBondContact O-N 3.23Å; L520-A523 PolarHBondContact O-N 2.77Å; A523-Q525 VanDerWaalsContact C-N 3.3Å; A523-Q525 PolarHBondContact O-N 3.33Å; A523-A526 PolarHBondContact O-N 2.96Å; A523-S527 VanDerWaalsContact O-CB 3.31Å; A523-S527 WeakPolarHBondContact O-CB 3.47Å; A523-S527 PolarHBondContact O-N 3.12Å; A523-I536 HydrophobicContact CB-CG2 4.18Å
524	I	98.9	Very high	98.2	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-40.4	171.6	-70.6	161.5	0	0	0	110.3	A167 I170 V171 Y218 L520 E521 T522 S527 R528	A167-I524 HydrophobicContact CB-CG1 3.92Å; I170-I524 HydrophobicContact CB-CG1 4.49Å; I170-I524 HydrophobicContact CD1-CD1 3.69Å; I170-I524 HydrophobicContact CD1-CG1 4.19Å; I170-I524 HydrophobicContact CG2-CD1 4.16Å; I170-I524 HydrophobicContact CG2-CG1 4.37Å; V171-I524 HydrophobicContact CG2-CG2 3.99Å; Y218-I524 HydrophobicContact CE1-CD1 3.64Å; Y218-I524 HydrophobicContact CE2-CD1 4.15Å; Y218-I524 VanDerWaalsContact CZ-CD1 3.41Å; Y218-I524 VanDerWaalsContact OH-CD1 3.23Å; Y218-I524 WeakPolarHBondContact OH-CD1 3.27Å; L520-I524 HydrophobicContact CD1-CD1 4.4Å; L520-I524 HydrophobicContact CD1-CG1 4.38Å; L520-I524 HydrophobicContact CG-CD1 4.1Å; L520-I524 WeakPolarHBondContact O-CD1 3.47Å; L520-I524 VanDerWaalsContact O-CG1 3.23Å; L520-I524 WeakPolarHBondContact O-CG1 3.33Å; L520-I524 PolarHBondContact O-N 2.93Å; E521-I524 PolarHBondContact O-N 2.7Å; T522-I524 VanDerWaalsContact C-N 3.34Å; T522-I524 PolarHBondContact O-N 2.76Å; I524-S527 PolarHBondContact O-N 2.84Å; I524-R528 VanDerWaalsContact CG2-CZ 3.48Å; I524-R528 WeakPolarHBondContact O-CG 3.32Å; I524-R528 PolarHBondContact O-N 2.95Å
525	Q	98.6	Very high	98.2	Very high	81 Å²	81	32.3 Å²	32.3	38%	0.379	18%	0.18	S	C	.	.	H	α-helix	trans	-64.5	-44.6	175.1	-61.6	175.7	5.9	0	0	111.5	E521 T522 A523 S527 R528 A529	E521-Q525 PolarHBondContact O-N 2.64Å; T522-Q525 WeakPolarHBondContact O-CB 3.41Å; T522-Q525 PolarHBondContact O-N 2.91Å; T522-Q525 VanDerWaalsContact O-N 3.12Å; A523-Q525 VanDerWaalsContact C-N 3.3Å; A523-Q525 PolarHBondContact O-N 3.33Å; Q525-S527 PolarHBondContact O-N 2.89Å; Q525-R528 PolarHBondContact O-N 3.17Å; Q525-A529 PolarHBondContact O-N 2.88Å
526	A	98.9	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-43.5	175.8	0	0	0	0	0	112.1	A505 V509 T522 A523 R528 A529 R530 C531 I536	A505-A526 HydrophobicContact CB-CB 3.95Å; V509-A526 HydrophobicContact CG2-CB 4.16Å; T522-A526 PolarHBondContact O-N 3.48Å; A523-A526 PolarHBondContact O-N 2.96Å; A526-R528 PolarHBondContact O-N 2.95Å; A526-A529 CarbonylContact O-C 3.49Å; A526-A529 WeakPolarHBondContact O-CA 3.39Å; A526-A529 WeakPolarHBondContact O-CB 3.37Å; A526-A529 PolarHBondContact O-N 3.28Å; A526-A529 VanDerWaalsContact O-N 3.08Å; A526-R530 PolarHBondContact O-N 2.64Å; A526-C531 HydrophobicContact CB-CB 3.93Å; A526-C531 WeakPolarHBondContact O-CB 3.23Å; A526-C531 PolarHBondContact O-N 3.26Å; A526-C531 PolarHBondContact O-SG 2.95Å; A526-I536 HydrophobicContact CB-CD1 3.86Å; A526-I536 HydrophobicContact CB-CG1 3.85Å
527	S	98.8	Very high	98.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-42.2	176	-177.2	0	0	0	0	112.1	M168 A523 I524 Q525 A529 R530	M168-S527 WeakPolarHBondContact CA-OG 3.36Å; M168-S527 VanDerWaalsContact CG-OG 3.28Å; M168-S527 WeakPolarHBondContact CG-OG 3.45Å; A523-S527 VanDerWaalsContact O-CB 3.31Å; A523-S527 WeakPolarHBondContact O-CB 3.47Å; A523-S527 PolarHBondContact O-N 3.12Å; I524-S527 PolarHBondContact O-N 2.84Å; Q525-S527 PolarHBondContact O-N 2.89Å; S527-A529 VanDerWaalsContact C-N 3.26Å; S527-A529 PolarHBondContact O-N 2.94Å; S527-R530 PolarHBondContact O-N 2.99Å
528	R	98.6	Very high	98.7	Very high	107 Å²	107	24.7 Å²	24.7	40%	0.404	12%	0.118	S	C	.	.	H	α-helix	trans	-61.2	-35.4	172.5	-71.9	-170.7	-164.7	117.9	-3	112.3	V171 E174 I524 Q525 A526 R530	V171-R528 HydrophobicContact CB-CG 4.32Å; V171-R528 HydrophobicContact CG1-CG 3.72Å; V171-R528 HydrophobicContact CG2-CG 3.53Å; E174-R528 VanDerWaalsContact CD-NH2 3.27Å; E174-R528 IonicContact OE1-NH2 2.82Å; E174-R528 PolarHBondContact OE1-NH2 3.21Å; E174-R528 VanDerWaalsContact OE1-NH2 3.08Å; E174-R528 IonicContact OE2-CZ 2.91Å; E174-R528 VanDerWaalsContact OE2-CZ 3.3Å; E174-R528 IonicContact OE2-NE 3.9Å; E174-R528 PolarHBondContact OE2-NE 2.88Å; E174-R528 VanDerWaalsContact OE2-NE 3.12Å; E174-R528 IonicContact OE2-NH2 3.23Å; E174-R528 PolarHBondContact OE2-NH2 3.16Å; I524-R528 VanDerWaalsContact CG2-CZ 3.48Å; I524-R528 WeakPolarHBondContact O-CG 3.32Å; I524-R528 PolarHBondContact O-N 2.95Å; Q525-R528 PolarHBondContact O-N 3.17Å; A526-R528 PolarHBondContact O-N 2.95Å; R528-R530 VanDerWaalsContact O-CD 3.28Å; R528-R530 WeakPolarHBondContact O-CD 3.34Å; R528-R530 PolarHBondContact O-N 3.39Å; R528-R530 PolarHBondContact O-NH1 3.41Å
529	A	98.7	Very high	98.8	Very high	20 Å²	20	23.9 Å²	23.9	17%	0.165	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	6.8	174.9	0	0	0	0	0	114.1	K501 A505 Q525 A526 S527 C531	K501-A529 HydrophobicContact CB-CB 4.45Å; A505-A529 HydrophobicContact CB-CB 4.25Å; Q525-A529 PolarHBondContact O-N 2.88Å; A526-A529 CarbonylContact O-C 3.49Å; A526-A529 WeakPolarHBondContact O-CA 3.39Å; A526-A529 WeakPolarHBondContact O-CB 3.37Å; A526-A529 PolarHBondContact O-N 3.28Å; A526-A529 VanDerWaalsContact O-N 3.08Å; S527-A529 VanDerWaalsContact C-N 3.26Å; S527-A529 PolarHBondContact O-N 2.94Å; A529-C531 VanDerWaalsContact C-N 3.27Å; A529-C531 PolarHBondContact O-N 3.32Å
530	R	98.7	Very high	98.8	Very high	49 Å²	49	23.9 Å²	23.9	19%	0.185	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	34.4	179.4	-84	62.9	-177.5	167	9.4	112.7	V137 E138 E175 I493 R497 A526 S527 R528	V137-R530 HydrophobicContact CG1-CG 4.11Å; E138-R530 IonicContact OE1-CZ 2.8Å; E138-R530 VanDerWaalsContact OE1-CZ 3.23Å; E138-R530 IonicContact OE1-NE 3.38Å; E138-R530 PolarHBondContact OE1-NE 3.45Å; E138-R530 IonicContact OE1-NH2 2.75Å; E138-R530 PolarHBondContact OE1-NH2 3.09Å; E175-R530 VanDerWaalsContact CD-NH2 3.27Å; E175-R530 IonicContact OE1-CZ 3.71Å; E175-R530 IonicContact OE1-NH1 3.06Å; E175-R530 PolarHBondContact OE1-NH1 3.1Å; E175-R530 IonicContact OE1-NH2 2.73Å; E175-R530 PolarHBondContact OE1-NH2 3.19Å; E175-R530 IonicContact OE2-NH2 2.99Å; E175-R530 PolarHBondContact OE2-NH2 3.12Å; I493-R530 HydrophobicContact CG2-CB 3.82Å; I493-R530 HydrophobicContact CG2-CG 4.15Å; R497-R530 HydrophobicContact CB-CB 3.94Å; R497-R530 WeakPolarHBondContact CD-O 3.49Å; R497-R530 PolarHBondContact NH1-O 2.83Å; A526-R530 PolarHBondContact O-N 2.64Å; S527-R530 PolarHBondContact O-N 2.99Å; R528-R530 VanDerWaalsContact O-CD 3.28Å; R528-R530 WeakPolarHBondContact O-CD 3.34Å; R528-R530 PolarHBondContact O-N 3.39Å; R528-R530 PolarHBondContact O-NH1 3.41Å
531	C	98.9	Very high	98.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.			trans	-69.2	143.5	161.4	-60.4	0	0	0	0	110	A502 L506 A526 A529 E535 I536	A502-C531 PolarHBondContact O-SG 3.45Å; L506-C531 HydrophobicContact CD2-CB 3.97Å; L506-C531 HydrophobicContact CG-CB 4.37Å; A526-C531 HydrophobicContact CB-CB 3.93Å; A526-C531 WeakPolarHBondContact O-CB 3.23Å; A526-C531 PolarHBondContact O-N 3.26Å; A526-C531 PolarHBondContact O-SG 2.95Å; A529-C531 VanDerWaalsContact C-N 3.27Å; A529-C531 PolarHBondContact O-N 3.32Å; C531-E535 VanDerWaalsContact CA-OE2 3.26Å; C531-E535 WeakPolarHBondContact CA-OE2 3.3Å; C531-I536 HydrophobicContact CB-CD1 4.11Å; C531-I536 HydrophobicContact CB-CG1 3.89Å
532	S	98.9	Very high	98.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	14%	0.136	C	C	.	.			trans	-83.5	171.1	-178.7	69.5	0	0	0	0	113	D117 D135 G534 E535 I536	D117-S532 WeakPolarHBondContact OD1-CB 3.34Å; D117-S532 PolarHBondContact OD1-OG 3.18Å; D117-S532 VanDerWaalsContact OD1-OG 3.08Å; D117-S532 VanDerWaalsContact OD2-CB 3.23Å; D117-S532 WeakPolarHBondContact OD2-CB 3.28Å; D117-S532 PolarHBondContact OD2-OG 2.98Å; D135-S532 CarbonylContact O-C 3.51Å; D135-S532 WeakPolarHBondContact O-CA 3.45Å; D135-S532 VanDerWaalsContact O-CB 3.24Å; D135-S532 WeakPolarHBondContact O-CB 3.48Å; S532-G534 VanDerWaalsContact C-N 3.32Å; S532-E535 PolarHBondContact N-OE2 2.83Å; S532-E535 PolarHBondContact O-N 3.32Å; S532-E535 WeakPolarHBondContact OG-CB 3.49Å; S532-E535 VanDerWaalsContact OG-CG 3.24Å; S532-E535 WeakPolarHBondContact OG-CG 3.37Å; S532-E535 PolarHBondContact OG-N 3.39Å; S532-E535 VanDerWaalsContact OG-N 3.11Å; S532-E535 PolarHBondContact OG-OE2 3.07Å; S532-I536 WeakPolarHBondContact O-CG1 3.07Å; S532-I536 PolarHBondContact O-N 2.89Å; S532-I536 VanDerWaalsContact O-N 3.1Å
533	V	98.9	Very high	98.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.7	-46.3	174.1	168.5	0	0	0	0	109.9	D117 V134 D135 A161 P164 M168 S537	D117-V533 PolarHBondContact OD1-N 3.35Å; V134-V533 HydrophobicContact CG1-CG2 4.48Å; V134-V533 WeakPolarHBondContact O-CG2 3.32Å; D135-V533 PolarHBondContact O-N 3.46Å; A161-V533 HydrophobicContact CB-CG1 4.21Å; P164-V533 HydrophobicContact CB-CB 4.47Å; P164-V533 HydrophobicContact CB-CG1 4.47Å; P164-V533 HydrophobicContact CB-CG2 4.26Å; P164-V533 HydrophobicContact CG-CG1 4.08Å; M168-V533 HydrophobicContact CE-CB 4.36Å; M168-V533 HydrophobicContact CE-CG2 3.49Å; M168-V533 VanDerWaalsContact CE-CG2 3.49Å; M168-V533 HydrophobicContact SD-CG2 3.65Å; V533-S537 VanDerWaalsContact O-CB 3.25Å; V533-S537 WeakPolarHBondContact O-CB 3.19Å; V533-S537 PolarHBondContact O-N 3.34Å; V533-S537 PolarHBondContact O-OG 3.03Å
534	G	98.8	Very high	98.7	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-52.9	176.1	0	0	0	0	0	111.9	D117 S532 I536 S537 D538	D117-G534 WeakPolarHBondContact OD1-CA 3.29Å; D117-G534 PolarHBondContact OD1-N 3.48Å; S532-G534 VanDerWaalsContact C-N 3.32Å; G534-I536 PolarHBondContact O-N 3.41Å; G534-S537 PolarHBondContact O-N 3.37Å; G534-S537 VanDerWaalsContact O-N 3.1Å; G534-D538 WeakPolarHBondContact O-CB 3.5Å; G534-D538 PolarHBondContact O-N 3.3Å
535	E	98.9	Very high	98.7	Very high	34 Å²	34	33.2 Å²	33.2	16%	0.159	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-42.6	-177.9	-71.8	169.9	154.8	0	0	113.1	R494 R497 L506 C531 S532 S537 A539	R494-E535 IonicContact NE-OE1 3.56Å; R497-E535 IonicContact CZ-OE1 3.73Å; R497-E535 IonicContact CZ-OE2 2.77Å; R497-E535 IonicContact NH1-OE1 2.75Å; R497-E535 PolarHBondContact NH1-OE1 2.93Å; R497-E535 IonicContact NH1-OE2 3.9Å; R497-E535 PolarHBondContact NH1-OE2 3.44Å; R497-E535 IonicContact NH2-OE1 3.3Å; R497-E535 PolarHBondContact NH2-OE1 3.29Å; R497-E535 IonicContact NH2-OE2 2.71Å; L506-E535 HydrophobicContact CD1-CB 3.94Å; L506-E535 HydrophobicContact CD1-CG 4.42Å; L506-E535 HydrophobicContact CD2-CB 3.93Å; L506-E535 WeakPolarHBondContact CD2-O 3.5Å; C531-E535 VanDerWaalsContact CA-OE2 3.26Å; C531-E535 WeakPolarHBondContact CA-OE2 3.3Å; S532-E535 PolarHBondContact N-OE2 2.83Å; S532-E535 PolarHBondContact O-N 3.32Å; S532-E535 WeakPolarHBondContact OG-CB 3.49Å; S532-E535 VanDerWaalsContact OG-CG 3.24Å; S532-E535 WeakPolarHBondContact OG-CG 3.37Å; S532-E535 PolarHBondContact OG-N 3.39Å; S532-E535 VanDerWaalsContact OG-N 3.11Å; S532-E535 PolarHBondContact OG-OE2 3.07Å; E535-S537 VanDerWaalsContact C-N 3.35Å; E535-A539 WeakPolarHBondContact O-CB 3.33Å; E535-A539 PolarHBondContact O-N 2.96Å
536	I	98.9	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-38.4	177.4	-66	169	0	0	0	110.6	I163 P164 M168 L506 V509 A523 A526 C531 S532 G534 M540	I163-I536 HydrophobicContact CG2-CG2 4.24Å; P164-I536 HydrophobicContact CB-CB 4.01Å; P164-I536 HydrophobicContact CB-CD1 4.05Å; P164-I536 HydrophobicContact CB-CG2 3.9Å; P164-I536 HydrophobicContact CG-CG2 4.33Å; M168-I536 HydrophobicContact CE-CD1 4.49Å; L506-I536 HydrophobicContact CD2-CG1 4.06Å; V509-I536 HydrophobicContact CG1-CG2 4.45Å; A523-I536 HydrophobicContact CB-CG2 4.18Å; A526-I536 HydrophobicContact CB-CD1 3.86Å; A526-I536 HydrophobicContact CB-CG1 3.85Å; C531-I536 HydrophobicContact CB-CD1 4.11Å; C531-I536 HydrophobicContact CB-CG1 3.89Å; S532-I536 WeakPolarHBondContact O-CG1 3.07Å; S532-I536 PolarHBondContact O-N 2.89Å; S532-I536 VanDerWaalsContact O-N 3.1Å; G534-I536 PolarHBondContact O-N 3.41Å; I536-M540 HydrophobicContact CG2-CE 4.25Å; I536-M540 PolarHBondContact O-N 3.05Å
537	S	98.9	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.9	-42.6	179.1	-59.3	0	0	0	0	111.6	G115 Y203 V533 G534 E535 M540 E541	G115-S537 WeakPolarHBondContact CA-OG 3.38Å; G115-S537 WeakPolarHBondContact O-CB 3.39Å; Y203-S537 WeakPolarHBondContact OH-CA 3.42Å; Y203-S537 PolarHBondContact OH-O 2.9Å; V533-S537 VanDerWaalsContact O-CB 3.25Å; V533-S537 WeakPolarHBondContact O-CB 3.19Å; V533-S537 PolarHBondContact O-N 3.34Å; V533-S537 PolarHBondContact O-OG 3.03Å; G534-S537 PolarHBondContact O-N 3.37Å; G534-S537 VanDerWaalsContact O-N 3.1Å; E535-S537 VanDerWaalsContact C-N 3.35Å; S537-M540 PolarHBondContact O-N 3.49Å; S537-E541 WeakPolarHBondContact O-CB 3.47Å; S537-E541 PolarHBondContact O-N 3.27Å
538	D	98.7	Very high	98.1	Very high	80 Å²	80	40.4 Å²	40.4	43%	0.428	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-37.7	178.1	-70.5	-9.3	0	0	0	111.5	G534 M540 E541 E542	G534-D538 WeakPolarHBondContact O-CB 3.5Å; G534-D538 PolarHBondContact O-N 3.3Å; D538-M540 VanDerWaalsContact C-N 3.27Å; D538-M540 PolarHBondContact O-N 3.42Å; D538-E541 WeakPolarHBondContact O-CB 3.44Å; D538-E541 PolarHBondContact O-N 3.4Å; D538-E541 VanDerWaalsContact O-N 3.08Å; D538-E542 PolarHBondContact O-N 3.45Å
539	A	98.8	Very high	97.5	Very high	8 Å²	8	37.5 Å²	37.5	7%	0.066	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-34.7	175.1	0	0	0	0	0	112.8	L506 V509 T510 E535	L506-A539 HydrophobicContact CD2-CB 4.24Å; V509-A539 HydrophobicContact CB-CB 4.17Å; V509-A539 HydrophobicContact CG1-CB 3.93Å; T510-A539 PolarHBondContact OG1-O 3.26Å; E535-A539 WeakPolarHBondContact O-CB 3.33Å; E535-A539 PolarHBondContact O-N 2.96Å
540	M	98.8	Very high	96.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-77.8	-36.8	171.1	-67.7	-174.7	-78.2	0	0	112	I163 Y203 I211 V509 A513 L519 I536 S537 D538 E542 V543 F544	I163-M540 HydrophobicContact CB-CE 3.81Å; I163-M540 HydrophobicContact CB-SD 4.33Å; I163-M540 HydrophobicContact CG1-CE 4.29Å; I163-M540 HydrophobicContact CG1-SD 4.24Å; I163-M540 HydrophobicContact CG2-CE 3.83Å; I163-M540 HydrophobicContact CG2-SD 4.2Å; Y203-M540 HydrophobicContact CE1-CB 3.99Å; Y203-M540 HydrophobicContact CE2-CE 4.23Å; Y203-M540 HydrophobicContact CE2-SD 4.5Å; Y203-M540 VanDerWaalsContact OH-CE 3.22Å; Y203-M540 WeakPolarHBondContact OH-CE 3.34Å; I211-M540 HydrophobicContact CD1-SD 4.29Å; V509-M540 HydrophobicContact CG1-CG 3.71Å; A513-M540 HydrophobicContact CB-CG 4.45Å; L519-M540 HydrophobicContact CD1-SD 4.34Å; L519-M540 HydrophobicContact CD2-CG 4.09Å; L519-M540 HydrophobicContact CD2-SD 3.97Å; I536-M540 HydrophobicContact CG2-CE 4.25Å; I536-M540 PolarHBondContact O-N 3.05Å; S537-M540 PolarHBondContact O-N 3.49Å; D538-M540 VanDerWaalsContact C-N 3.27Å; D538-M540 PolarHBondContact O-N 3.42Å; M540-E542 VanDerWaalsContact C-N 3.25Å; M540-E542 PolarHBondContact O-N 3.24Å; M540-V543 PolarHBondContact O-N 3.14Å; M540-V543 VanDerWaalsContact O-N 3.1Å; M540-F544 HydrophobicContact CB-CD2 3.94Å; M540-F544 HydrophobicContact CB-CE2 3.95Å; M540-F544 HydrophobicContact CG-CE2 4.32Å; M540-F544 WeakPolarHBondContact O-CD2 3.39Å; M540-F544 WeakPolarHBondContact O-CG 3.02Å; M540-F544 PolarHBondContact O-N 3.41Å; M540-F544 HydrophobicContact SD-CE2 4.45Å
541	E	98.5	Very high	95.6	Very high	54 Å²	54	43.1 Å²	43.1	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-33.4	177.8	-173.8	172.1	166.9	0	0	112.5	Y203 S537 D538 V543 F544 G545 R546	Y203-E541 HydrophobicContact CE1-CB 4.21Å; S537-E541 WeakPolarHBondContact O-CB 3.47Å; S537-E541 PolarHBondContact O-N 3.27Å; D538-E541 WeakPolarHBondContact O-CB 3.44Å; D538-E541 PolarHBondContact O-N 3.4Å; D538-E541 VanDerWaalsContact O-N 3.08Å; E541-V543 PolarHBondContact O-N 3.27Å; E541-V543 VanDerWaalsContact O-N 3.09Å; E541-F544 PolarHBondContact O-N 3.45Å; E541-G545 WeakPolarHBondContact O-CA 3.49Å; E541-G545 PolarHBondContact O-N 3.43Å; E541-R546 VanDerWaalsContact CD-NE 3.25Å; E541-R546 HydrophobicContact CG-CG 4.16Å; E541-R546 WeakPolarHBondContact OE1-CD 3.29Å; E541-R546 WeakPolarHBondContact OE1-CG 3.25Å; E541-R546 IonicContact OE1-NE 2.82Å; E541-R546 PolarHBondContact OE1-NE 3.49Å; E541-R546 IonicContact OE2-CZ 2.79Å; E541-R546 VanDerWaalsContact OE2-CZ 3.23Å; E541-R546 IonicContact OE2-NE 3.56Å; E541-R546 PolarHBondContact OE2-NE 2.62Å; E541-R546 IonicContact OE2-NH2 3.98Å; E541-R546 PolarHBondContact OE2-NH2 3.28Å
542	E	98.4	Very high	94.9	Very high	142 Å²	142	49.8 Å²	49.8	66%	0.664	27%	0.269	S	S	*	.	H	α-helix	trans	-53	-32.1	174.2	-168.8	-170.5	144.9	0	0	112.6	D538 M540	D538-E542 PolarHBondContact O-N 3.45Å; M540-E542 VanDerWaalsContact C-N 3.25Å; M540-E542 PolarHBondContact O-N 3.24Å
543	V	98.6	Very high	94.1	Very high	51 Å²	51	53.1 Å²	53.1	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-98.8	-40.4	-178.6	-175.8	0	0	0	0	111.8	T510 A513 K514 M540 E541	T510-V543 HydrophobicContact CG2-CG2 3.87Å; A513-V543 HydrophobicContact CB-CB 3.97Å; A513-V543 HydrophobicContact CB-CG1 4.39Å; A513-V543 HydrophobicContact CB-CG2 3.87Å; K514-V543 HydrophobicContact CD-CG2 4.47Å; K514-V543 HydrophobicContact CG-CG1 3.96Å; K514-V543 HydrophobicContact CG-CG2 3.76Å; M540-V543 PolarHBondContact O-N 3.14Å; M540-V543 VanDerWaalsContact O-N 3.1Å; E541-V543 PolarHBondContact O-N 3.27Å; E541-V543 VanDerWaalsContact O-N 3.09Å
544	F	98.3	Very high	93.7	Very high	35 Å²	35	53.9 Å²	53.9	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-93.9	-25.2	-170.6	-57.1	-30.8	0	0	0	114.3	Y203 P204 P207 I211 A513 L519 M540 E541	Y203-F544 HydrophobicContact CD1-CB 3.84Å; Y203-F544 AromaticContact CD1-CD2 3.93Å; Y203-F544 HydrophobicContact CD1-CD2 3.93Å; Y203-F544 HydrophobicContact CD1-CG 4.41Å; Y203-F544 HydrophobicContact CD2-CD2 4.44Å; Y203-F544 HydrophobicContact CE1-CD2 4.3Å; Y203-F544 HydrophobicContact CG-CB 4.24Å; Y203-F544 HydrophobicContact CG-CD2 4.01Å; P204-F544 WeakPolarHBondContact CD-O 3.49Å; P207-F544 HydrophobicContact CB-CB 4.02Å; P207-F544 HydrophobicContact CB-CD1 3.56Å; P207-F544 HydrophobicContact CB-CD2 3.89Å; P207-F544 HydrophobicContact CB-CE1 3.9Å; P207-F544 HydrophobicContact CB-CE2 4.21Å; P207-F544 HydrophobicContact CB-CG 3.55Å; P207-F544 HydrophobicContact CB-CZ 4.22Å; P207-F544 HydrophobicContact CG-CB 4.08Å; P207-F544 HydrophobicContact CG-CD1 4.37Å; P207-F544 HydrophobicContact CG-CG 4.18Å; I211-F544 HydrophobicContact CD1-CE2 4.23Å; A513-F544 HydrophobicContact CB-CE1 4.01Å; A513-F544 HydrophobicContact CB-CE2 4.01Å; A513-F544 HydrophobicContact CB-CZ 3.57Å; A513-F544 WeakPolarHBondContact O-CE1 3.48Å; A513-F544 WeakPolarHBondContact O-CZ 3.21Å; L519-F544 HydrophobicContact CD1-CE2 4.36Å; L519-F544 HydrophobicContact CD1-CZ 4.3Å; M540-F544 HydrophobicContact CB-CD2 3.94Å; M540-F544 HydrophobicContact CB-CE2 3.95Å; M540-F544 HydrophobicContact CG-CE2 4.32Å; M540-F544 WeakPolarHBondContact O-CD2 3.39Å; M540-F544 WeakPolarHBondContact O-CG 3.02Å; M540-F544 PolarHBondContact O-N 3.41Å; M540-F544 HydrophobicContact SD-CE2 4.45Å; E541-F544 PolarHBondContact O-N 3.45Å
545	G	98.1	Very high	93.2	Very high	30 Å²	30	58.7 Å²	58.7	31%	0.309	32%	0.323	S	S	.	.			trans	65	176.4	-164.3	0	0	0	0	0	113.5	Y203 E541	Y203-G545 WeakPolarHBondContact CD1-O 3.4Å; E541-G545 WeakPolarHBondContact O-CA 3.49Å; E541-G545 PolarHBondContact O-N 3.43Å
546	R	97.3	Very high	93	Very high	49 Å²	49	58.5 Å²	58.5	19%	0.185	33%	0.331	C	S	.	.			trans	-96.1	144.2	170.4	-84.3	179.9	-169.9	-91.6	-12.7	112	R114 Y116 I202 E541	R114-R546 PolarHBondContact O-NH1 3.01Å; R114-R546 PolarHBondContact O-NH2 3.33Å; Y116-R546 VanDerWaalsContact CZ-CZ 3.41Å; Y116-R546 VanDerWaalsContact CZ-NH1 3.3Å; Y116-R546 VanDerWaalsContact OH-CZ 3.25Å; Y116-R546 PolarHBondContact OH-NE 2.94Å; Y116-R546 PolarHBondContact OH-NH1 3.46Å; I202-R546 HydrophobicContact CG2-CG 4.09Å; I202-R546 CarbonylContact O-C 3.56Å; I202-R546 VanDerWaalsContact O-CA 3.28Å; I202-R546 WeakPolarHBondContact O-CA 3.37Å; E541-R546 VanDerWaalsContact CD-NE 3.25Å; E541-R546 HydrophobicContact CG-CG 4.16Å; E541-R546 WeakPolarHBondContact OE1-CD 3.29Å; E541-R546 WeakPolarHBondContact OE1-CG 3.25Å; E541-R546 IonicContact OE1-NE 2.82Å; E541-R546 PolarHBondContact OE1-NE 3.49Å; E541-R546 IonicContact OE2-CZ 2.79Å; E541-R546 VanDerWaalsContact OE2-CZ 3.23Å; E541-R546 IonicContact OE2-NE 3.56Å; E541-R546 PolarHBondContact OE2-NE 2.62Å; E541-R546 IonicContact OE2-NH2 3.98Å; E541-R546 PolarHBondContact OE2-NH2 3.28Å
547	Y	95.9	Very high	92.8	Very high	64 Å²	64	58.8 Å²	58.8	25%	0.251	33%	0.333	S	S	.	.			trans	-78.8	132.3	177.7	-176.9	-113.5	0	0	0	112	F195 Y201 I202 P204 P205 A549	F195-Y547 AromaticContact CD1-CD1 3.7Å; F195-Y547 HydrophobicContact CD1-CD1 3.7Å; F195-Y547 AromaticContact CD1-CE1 3.61Å; F195-Y547 HydrophobicContact CD1-CE1 3.61Å; F195-Y547 HydrophobicContact CD1-CG 4.47Å; F195-Y547 AromaticContact CE1-CD1 3.57Å; F195-Y547 HydrophobicContact CE1-CD1 3.57Å; F195-Y547 AromaticContact CE1-CE1 3.92Å; F195-Y547 HydrophobicContact CE1-CE1 3.92Å; F195-Y547 AromaticContact CE1-CG 3.95Å; F195-Y547 HydrophobicContact CE1-CG 3.95Å; Y201-Y547 HydrophobicContact CD1-CD1 4.4Å; Y201-Y547 AromaticContact CD2-CD1 3.62Å; Y201-Y547 HydrophobicContact CD2-CD1 3.62Å; Y201-Y547 HydrophobicContact CD2-CG 4.33Å; Y201-Y547 HydrophobicContact CE1-CD1 4.28Å; Y201-Y547 HydrophobicContact CE1-CE1 4.43Å; Y201-Y547 AromaticContact CE2-CD1 3.5Å; Y201-Y547 HydrophobicContact CE2-CD1 3.5Å; Y201-Y547 HydrophobicContact CE2-CE1 4.29Å; Y201-Y547 HydrophobicContact CE2-CG 4.42Å; Y201-Y547 HydrophobicContact CG-CD1 4.1Å; Y201-Y547 AromaticContact CZ-CD1 3.86Å; I202-Y547 PolarHBondContact O-N 3.16Å; P204-Y547 HydrophobicContact CB-CD2 4.26Å; P205-Y547 HydrophobicContact CG-CE2 4.5Å; Y547-A549 HydrophobicContact CE1-CB 3.87Å
548	T	90.4	Very high	92.6	Very high	120 Å²	120	58.8 Å²	58.8	74%	0.736	33%	0.333	S	S	*	.			trans	-111.5	115.9	170.7	-55.9	0	0	0	0	108.6
549	A	87.3	Confident	92.4	Very high	45 Å²	45	59 Å²	59	37%	0.372	33%	0.33	S	S	.	.			trans	-74	144.3	178.9	0	0	0	0	0	111.6	Y201 Y547	Y201-A549 VanDerWaalsContact OH-CB 3.24Å; Y201-A549 WeakPolarHBondContact OH-CB 3.44Å; Y547-A549 HydrophobicContact CE1-CB 3.87Å
550	V	81.1	Confident	92.2	Very high	125 Å²	125	62.7 Å²	62.7	76%	0.758	36%	0.355	S	S	*	.			trans	-95.1	113.9	170.2	-177.7	0	0	0	0	108
551	S	75.5	Confident	92	Very high	63 Å²	63	64.8 Å²	64.8	44%	0.441	37%	0.365	S	S	.	.			trans	-74.1	129.3	176.3	-90.8	0	0	0	0	110.9	K603	S551-K603 PolarHBondContact OG-NZ 3.44Å; S551-K603 VanDerWaalsContact OG-NZ 3.13Å
552	R	83.2	Confident	91.7	Very high	139 Å²	139	62.8 Å²	62.8	53%	0.525	36%	0.356	S	S	.	.			trans	-105.6	162.8	159.6	-62.1	-174.8	-175.3	164.3	9.6	108.7	S431 K603	S431-R552 PolarHBondContact O-NH1 3.22Å; S431-R552 PolarHBondContact O-NH2 2.88Å; R552-K603 PolarHBondContact O-NZ 2.72Å
553	M	83.7	Confident	91.2	Very high	73 Å²	73	57.9 Å²	57.9	36%	0.36	34%	0.343	S	S	.	.			trans	-126.5	133.4	179.4	-165.1	-167.6	-72.5	0	0	108.7	A610 V616 I618	M553-A610 HydrophobicContact SD-CB 4.31Å; M553-V616 HydrophobicContact CE-CB 4.37Å; M553-V616 HydrophobicContact CE-CG1 4.34Å; M553-I618 HydrophobicContact CB-CD1 4.41Å; M553-I618 HydrophobicContact CE-CD1 3.37Å; M553-I618 HydrophobicContact CE-CG1 3.68Å; M553-I618 HydrophobicContact CG-CD1 4.05Å; M553-I618 HydrophobicContact SD-CD1 4.45Å
554	V	89	Confident	90.2	Very high	15 Å²	15	63 Å²	63	9%	0.091	38%	0.375	C	S	.	.			trans	-71.5	145	167.6	179.2	0	0	0	0	108.6	L436 E439 E440 A557 T607	L436-V554 HydrophobicContact CD1-CG2 3.55Å; L436-V554 HydrophobicContact CG-CG2 4.29Å; E439-V554 HydrophobicContact CB-CG2 3.64Å; E440-V554 HydrophobicContact CB-CG1 4.28Å; E440-V554 HydrophobicContact CB-CG2 4.4Å; E440-V554 HydrophobicContact CG-CG1 4.35Å; V554-A557 HydrophobicContact CG1-CB 3.58Å; V554-T607 WeakPolarHBondContact O-CB 3.36Å; V554-T607 PolarHBondContact O-OG1 3.4Å
555	S	90	Very high	89.1	Confident	104 Å²	104	64.3 Å²	64.3	73%	0.727	38%	0.383	S	S	*	.			trans	-135.1	138.8	175.5	179.6	0	0	0	0	110.5	A557	S555-A557 VanDerWaalsContact C-N 3.26Å; S555-A557 PolarHBondContact O-N 3.18Å
556	G	93	Very high	88.2	Confident	31 Å²	31	66.7 Å²	66.7	32%	0.32	40%	0.396	S	S	.	.	S	Bend	trans	81.8	-13.2	174.1	0	0	0	0	0	115.8	S560 D611	G556-S560 WeakPolarHBondContact O-CB 3.26Å; G556-S560 PolarHBondContact O-N 3.04Å; G556-D611 VanDerWaalsContact CA-OD1 3.28Å; G556-D611 WeakPolarHBondContact CA-OD1 3.48Å; G556-D611 WeakPolarHBondContact CA-OD2 3.41Å; G556-D611 PolarHBondContact N-OD1 2.82Å; G556-D611 PolarHBondContact N-OD2 2.8Å
557	A	94.6	Very high	87.7	Confident	5 Å²	5	70.1 Å²	70.1	4%	0.041	41%	0.414	C	S	.	.	H	α-helix	trans	-68.1	-40.9	-174.6	0	0	0	0	0	112.7	E440 A443 R444 V554 S555 E561	E440-A557 HydrophobicContact CG-CB 3.82Å; A443-A557 HydrophobicContact CB-CB 4.13Å; R444-A557 HydrophobicContact CG-CB 4.47Å; V554-A557 HydrophobicContact CG1-CB 3.58Å; S555-A557 VanDerWaalsContact C-N 3.26Å; S555-A557 PolarHBondContact O-N 3.18Å; A557-E561 WeakPolarHBondContact O-CB 3.42Å; A557-E561 PolarHBondContact O-N 3.01Å
558	Y	95.6	Very high	87.4	Confident	1 Å²	1	67.7 Å²	67.7	0%	0.004	41%	0.405	C	S	.	.	H	α-helix	trans	-65.6	-54.5	179.7	178.7	-93.6	0	0	0	110.2	Q446 A447 D450 S560 E561 F562 I568 D611 L699	Q446-Y558 HydrophobicContact CB-CD2 4.46Å; Q446-Y558 HydrophobicContact CB-CE2 4.32Å; Q446-Y558 HydrophobicContact CG-CE2 4.13Å; A447-Y558 HydrophobicContact CB-CD2 3.73Å; A447-Y558 HydrophobicContact CB-CE2 3.92Å; A447-Y558 HydrophobicContact CB-CG 4.23Å; A447-Y558 VanDerWaalsContact CB-O 3.27Å; A447-Y558 WeakPolarHBondContact CB-O 3.41Å; D450-Y558 PolarHBondContact OD2-OH 3.32Å; D450-Y558 VanDerWaalsContact OD2-OH 3.08Å; Y558-S560 PolarHBondContact O-N 2.93Å; Y558-E561 PolarHBondContact O-N 2.87Å; Y558-F562 AromaticContact CE1-CD2 3.98Å; Y558-F562 HydrophobicContact CE1-CD2 3.98Å; Y558-F562 AromaticContact CZ-CD2 3.79Å; Y558-F562 PolarHBondContact O-N 3Å; Y558-F562 WeakPolarHBondContact OH-CE2 3.45Å; Y558-I568 HydrophobicContact CE1-CD1 4.17Å; Y558-D611 PolarHBondContact N-OD2 3.1Å; Y558-L699 HydrophobicContact CE2-CB 4.38Å; Y558-L699 WeakPolarHBondContact OH-CB 3.29Å
559	K	94	Very high	87.5	Confident	83 Å²	83	64.5 Å²	64.5	36%	0.361	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-41.3	-179.2	179.3	176.4	-176.7	172.2	0	113.3	E561 G563 M572 D611	K559-E561 VanDerWaalsContact C-N 3.28Å; K559-E561 PolarHBondContact O-N 3.27Å; K559-G563 PolarHBondContact O-N 2.95Å; K559-M572 VanDerWaalsContact NZ-CE 3.32Å; K559-M572 PolarHBondContact NZ-SD 3.21Å; K559-D611 HydrophobicContact CB-CB 3.94Å; K559-D611 WeakPolarHBondContact CB-OD2 3.35Å; K559-D611 PolarHBondContact N-OD2 2.77Å
560	S	94.1	Very high	87.8	Confident	86 Å²	86	67.9 Å²	67.9	60%	0.601	40%	0.399	S	S	*	.	H	α-helix	trans	-62.8	-36.9	179.5	178.8	0	0	0	0	112.1	G556 Y558	G556-S560 WeakPolarHBondContact O-CB 3.26Å; G556-S560 PolarHBondContact O-N 3.04Å; Y558-S560 PolarHBondContact O-N 2.93Å
561	E	95.1	Very high	88.4	Confident	46 Å²	46	64.2 Å²	64.2	22%	0.215	38%	0.377	C	S	.	.	H	α-helix	trans	-83	-32.7	-177	-169	83	-172.8	0	0	112	R444 A447 R448 Q453 A557 Y558 K559 G563	R444-E561 HydrophobicContact CB-CB 4.21Å; R444-E561 HydrophobicContact CB-CG 3.83Å; R444-E561 HydrophobicContact CG-CB 4.11Å; R444-E561 HydrophobicContact CG-CG 4.17Å; R444-E561 IonicContact CZ-OE2 3.22Å; R444-E561 IonicContact NH1-OE2 2.77Å; R444-E561 PolarHBondContact NH1-OE2 2.94Å; R444-E561 WeakPolarHBondContact O-CG 3.46Å; A447-E561 HydrophobicContact CB-CB 3.81Å; A447-E561 HydrophobicContact CB-CG 4.15Å; R448-E561 WeakPolarHBondContact CD-OE1 3.47Å; R448-E561 HydrophobicContact CG-CG 3.86Å; R448-E561 IonicContact CZ-OE1 3.26Å; R448-E561 IonicContact NH1-OE1 2.6Å; R448-E561 PolarHBondContact NH1-OE1 3.33Å; Q453-E561 PolarHBondContact NE2-O 2.66Å; A557-E561 WeakPolarHBondContact O-CB 3.42Å; A557-E561 PolarHBondContact O-N 3.01Å; Y558-E561 PolarHBondContact O-N 2.87Å; K559-E561 VanDerWaalsContact C-N 3.28Å; K559-E561 PolarHBondContact O-N 3.27Å; E561-G563 PolarHBondContact O-N 3.01Å
562	F	93.2	Very high	89.3	Confident	12 Å²	12	63.2 Å²	63.2	5%	0.053	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-37.2	176.3	-156.8	-74.9	0	0	0	111.2	A447 D450 Q453 Y558 D565 I568	A447-F562 HydrophobicContact CB-CB 4.12Å; A447-F562 HydrophobicContact CB-CD2 4.33Å; D450-F562 HydrophobicContact CB-CD2 4.36Å; D450-F562 HydrophobicContact CB-CE2 3.66Å; Q453-F562 PolarHBondContact NE2-O 3.26Å; Y558-F562 AromaticContact CE1-CD2 3.98Å; Y558-F562 HydrophobicContact CE1-CD2 3.98Å; Y558-F562 AromaticContact CZ-CD2 3.79Å; Y558-F562 PolarHBondContact O-N 3Å; Y558-F562 WeakPolarHBondContact OH-CE2 3.45Å; F562-D565 HydrophobicContact CD1-CB 3.77Å; F562-D565 HydrophobicContact CE1-CB 3.49Å; F562-D565 VanDerWaalsContact CE1-CB 3.49Å; F562-I568 HydrophobicContact CB-CD1 3.61Å; F562-I568 HydrophobicContact CD1-CD1 3.56Å; F562-I568 HydrophobicContact CD1-CG1 4.03Å; F562-I568 HydrophobicContact CD2-CD1 3.81Å; F562-I568 HydrophobicContact CE1-CD1 4.15Å; F562-I568 HydrophobicContact CE1-CG1 4.15Å; F562-I568 HydrophobicContact CE2-CD1 4.33Å; F562-I568 HydrophobicContact CG-CD1 3.38Å; F562-I568 HydrophobicContact CG-CG1 4.26Å; F562-I568 HydrophobicContact CZ-CD1 4.49Å; F562-I568 HydrophobicContact CZ-CG1 4.44Å
563	G	88.3	Confident	89.9	Confident	39 Å²	39	61.8 Å²	61.8	40%	0.402	37%	0.365	S	S	.	.			trans	89.3	-163.3	176.7	0	0	0	0	0	113.3	K559 E561 D565	K559-G563 PolarHBondContact O-N 2.95Å; E561-G563 PolarHBondContact O-N 3.01Å; G563-D565 PolarHBondContact O-N 2.9Å; G563-D565 VanDerWaalsContact O-N 3.15Å
564	T	77.2	Confident	90.6	Very high	157 Å²	157	65.4 Å²	65.4	96%	0.963	38%	0.378	S	S	*	.	S	Bend	trans	-85.4	82.2	-179.8	54.7	0	0	0	0	110.3
565	D	75	Confident	91	Very high	63 Å²	63	65.2 Å²	65.2	34%	0.337	38%	0.377	S	S	.	.			trans	-106	143.5	173.9	-154.5	-50	0	0	0	111.1	F562 G563 E567	F562-D565 HydrophobicContact CD1-CB 3.77Å; F562-D565 HydrophobicContact CE1-CB 3.49Å; F562-D565 VanDerWaalsContact CE1-CB 3.49Å; G563-D565 PolarHBondContact O-N 2.9Å; G563-D565 VanDerWaalsContact O-N 3.15Å; D565-E567 PolarHBondContact O-N 3.38Å; D565-E567 PolarHBondContact OD1-N 2.92Å
566	S	78.2	Confident	91.3	Very high	81 Å²	81	64.9 Å²	64.9	57%	0.566	36%	0.363	S	S	*	.	H	α-helix	trans	-62.1	-32.1	173.4	41.3	0	0	0	0	112.2	A569 E570	S566-A569 WeakPolarHBondContact O-CB 3.47Å; S566-A569 PolarHBondContact O-N 3.15Å; S566-E570 WeakPolarHBondContact O-CG 3.33Å; S566-E570 PolarHBondContact O-N 3.46Å
567	E	88.3	Confident	91.6	Very high	120 Å²	120	66 Å²	66	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-65.4	-48	-174.7	-173.6	167.8	-153	0	0	112.5	D565 A569 E570 V571	D565-E567 PolarHBondContact O-N 3.38Å; D565-E567 PolarHBondContact OD1-N 2.92Å; E567-A569 VanDerWaalsContact C-N 3.27Å; E567-A569 PolarHBondContact O-N 2.73Å; E567-E570 WeakPolarHBondContact O-CB 3.39Å; E567-E570 PolarHBondContact O-N 3.04Å; E567-E570 VanDerWaalsContact O-N 3.16Å; E567-V571 WeakPolarHBondContact O-CG2 3.33Å; E567-V571 PolarHBondContact O-N 3.08Å
568	I	89.5	Confident	91.8	Very high	13 Å²	13	69.1 Å²	69.1	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-60.1	-40.6	175.4	-70.6	-169.7	0	0	0	110.8	Y558 F562 E570 V571 M572	Y558-I568 HydrophobicContact CE1-CD1 4.17Å; F562-I568 HydrophobicContact CB-CD1 3.61Å; F562-I568 HydrophobicContact CD1-CD1 3.56Å; F562-I568 HydrophobicContact CD1-CG1 4.03Å; F562-I568 HydrophobicContact CD2-CD1 3.81Å; F562-I568 HydrophobicContact CE1-CD1 4.15Å; F562-I568 HydrophobicContact CE1-CG1 4.15Å; F562-I568 HydrophobicContact CE2-CD1 4.33Å; F562-I568 HydrophobicContact CG-CD1 3.38Å; F562-I568 HydrophobicContact CG-CG1 4.26Å; F562-I568 HydrophobicContact CZ-CD1 4.49Å; F562-I568 HydrophobicContact CZ-CG1 4.44Å; I568-E570 VanDerWaalsContact C-N 3.33Å; I568-E570 PolarHBondContact O-N 2.92Å; I568-V571 PolarHBondContact O-N 3.37Å; I568-M572 HydrophobicContact CG2-CG 4.26Å; I568-M572 HydrophobicContact CG2-SD 4.07Å; I568-M572 WeakPolarHBondContact O-CB 3.37Å; I568-M572 VanDerWaalsContact O-CG 3.27Å; I568-M572 WeakPolarHBondContact O-CG 3.29Å; I568-M572 PolarHBondContact O-N 2.69Å
569	A	91.3	Very high	91.9	Very high	54 Å²	54	70.4 Å²	70.4	45%	0.446	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-41.8	178.4	0	0	0	0	0	111.5	S566 E567 M572 E573	S566-A569 WeakPolarHBondContact O-CB 3.47Å; S566-A569 PolarHBondContact O-N 3.15Å; E567-A569 VanDerWaalsContact C-N 3.27Å; E567-A569 PolarHBondContact O-N 2.73Å; A569-M572 PolarHBondContact O-N 3.09Å; A569-E573 WeakPolarHBondContact O-CG 3.29Å; A569-E573 PolarHBondContact O-N 3.11Å
570	E	94.1	Very high	92.1	Very high	116 Å²	116	74.3 Å²	74.3	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-63.5	-43.7	175.8	-73.1	179	-163.2	0	0	112.7	S566 E567 I568 E573 K574	S566-E570 WeakPolarHBondContact O-CG 3.33Å; S566-E570 PolarHBondContact O-N 3.46Å; E567-E570 WeakPolarHBondContact O-CB 3.39Å; E567-E570 PolarHBondContact O-N 3.04Å; E567-E570 VanDerWaalsContact O-N 3.16Å; I568-E570 VanDerWaalsContact C-N 3.33Å; I568-E570 PolarHBondContact O-N 2.92Å; E570-E573 PolarHBondContact O-N 3.33Å; E570-K574 WeakPolarHBondContact O-CG 3.36Å; E570-K574 PolarHBondContact O-N 3.41Å
571	V	93.3	Very high	92.2	Very high	47 Å²	47	74 Å²	74	29%	0.285	41%	0.414	S	S	.	.	H	α-helix	trans	-62	-45.6	176.4	176.4	0	0	0	0	110.6	E567 I568 E573 K574 V575 M612	E567-V571 WeakPolarHBondContact O-CG2 3.33Å; E567-V571 PolarHBondContact O-N 3.08Å; I568-V571 PolarHBondContact O-N 3.37Å; V571-E573 VanDerWaalsContact C-N 3.31Å; V571-E573 PolarHBondContact O-N 3.06Å; V571-K574 WeakPolarHBondContact O-CB 3.31Å; V571-K574 PolarHBondContact O-N 2.9Å; V571-K574 VanDerWaalsContact O-N 3.12Å; V571-V575 HydrophobicContact CG1-CG2 4.44Å; V571-V575 WeakPolarHBondContact O-CG2 3.34Å; V571-V575 PolarHBondContact O-N 3.05Å; V571-M612 HydrophobicContact CB-SD 4.15Å; V571-M612 HydrophobicContact CG1-CB 4.31Å; V571-M612 HydrophobicContact CG1-CG 4.43Å; V571-M612 HydrophobicContact CG1-SD 3.65Å
572	M	94.5	Very high	92.3	Very high	42 Å²	42	77.6 Å²	77.6	21%	0.207	43%	0.431	C	S	.	.	H	α-helix	trans	-60.3	-38.3	177.4	-72.7	-174.3	74	0	0	112.5	K559 I568 A569 V575 K576	K559-M572 VanDerWaalsContact NZ-CE 3.32Å; K559-M572 PolarHBondContact NZ-SD 3.21Å; I568-M572 HydrophobicContact CG2-CG 4.26Å; I568-M572 HydrophobicContact CG2-SD 4.07Å; I568-M572 WeakPolarHBondContact O-CB 3.37Å; I568-M572 VanDerWaalsContact O-CG 3.27Å; I568-M572 WeakPolarHBondContact O-CG 3.29Å; I568-M572 PolarHBondContact O-N 2.69Å; A569-M572 PolarHBondContact O-N 3.09Å; M572-V575 PolarHBondContact O-N 2.93Å; M572-K576 VanDerWaalsContact O-CG 3.32Å; M572-K576 WeakPolarHBondContact O-CG 3.39Å; M572-K576 PolarHBondContact O-N 2.95Å
573	E	96.4	Very high	92.5	Very high	110 Å²	110	80.4 Å²	80.4	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-67.1	-37.9	174.8	-71.3	-53.9	127.5	0	0	112.2	A569 E570 V571 K576 A577	A569-E573 WeakPolarHBondContact O-CG 3.29Å; A569-E573 PolarHBondContact O-N 3.11Å; E570-E573 PolarHBondContact O-N 3.33Å; V571-E573 VanDerWaalsContact C-N 3.31Å; V571-E573 PolarHBondContact O-N 3.06Å; E573-K576 PolarHBondContact O-N 3.42Å; E573-K576 IonicContact OE1-NZ 2.83Å; E573-K576 PolarHBondContact OE1-NZ 2.68Å; E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 2.97Å
574	K	97.4	Very high	93	Very high	148 Å²	148	82.6 Å²	82.6	64%	0.643	46%	0.46	S	S	*	.	H	α-helix	trans	-63.2	-42.1	173.2	-70.1	175.6	-176.2	172.2	0	112.1	E570 V571 K576 A577 F578	E570-K574 WeakPolarHBondContact O-CG 3.36Å; E570-K574 PolarHBondContact O-N 3.41Å; V571-K574 WeakPolarHBondContact O-CB 3.31Å; V571-K574 PolarHBondContact O-N 2.9Å; V571-K574 VanDerWaalsContact O-N 3.12Å; K574-K576 VanDerWaalsContact C-N 3.34Å; K574-K576 PolarHBondContact O-N 3.16Å; K574-A577 PolarHBondContact O-N 3.11Å; K574-F578 PolarHBondContact O-N 3Å
575	V	97.5	Very high	94	Very high	11 Å²	11	79 Å²	79	7%	0.067	43%	0.432	C	S	.	.	H	α-helix	trans	-62.3	-41.7	176.1	171.2	0	0	0	0	111	V571 M572 F578 A579 P586 F614	V571-V575 HydrophobicContact CG1-CG2 4.44Å; V571-V575 WeakPolarHBondContact O-CG2 3.34Å; V571-V575 PolarHBondContact O-N 3.05Å; M572-V575 PolarHBondContact O-N 2.93Å; V575-F578 PolarHBondContact O-N 2.93Å; V575-A579 PolarHBondContact O-N 2.93Å; V575-P586 HydrophobicContact CG1-CG 3.89Å; V575-P586 HydrophobicContact CG2-CG 4.4Å; V575-F614 HydrophobicContact CG2-CD2 3.9Å; V575-F614 HydrophobicContact CG2-CE2 3.45Å; V575-F614 VanDerWaalsContact CG2-CE2 3.45Å; V575-F614 HydrophobicContact CG2-CZ 4.14Å
576	K	97.6	Very high	95.1	Very high	97 Å²	97	76.5 Å²	76.5	42%	0.422	42%	0.419	S	S	.	.	H	α-helix	trans	-63.4	-43.8	174	-71.4	172.1	-168.9	170.9	0	112.2	M572 E573 K574 F578 A579 Q580	M572-K576 VanDerWaalsContact O-CG 3.32Å; M572-K576 WeakPolarHBondContact O-CG 3.39Å; M572-K576 PolarHBondContact O-N 2.95Å; E573-K576 PolarHBondContact O-N 3.42Å; E573-K576 IonicContact OE1-NZ 2.83Å; E573-K576 PolarHBondContact OE1-NZ 2.68Å; K574-K576 VanDerWaalsContact C-N 3.34Å; K574-K576 PolarHBondContact O-N 3.16Å; K576-F578 VanDerWaalsContact C-N 3.34Å; K576-F578 PolarHBondContact O-N 3.42Å; K576-A579 PolarHBondContact O-N 3.45Å; K576-Q580 WeakPolarHBondContact O-CG 3.44Å; K576-Q580 PolarHBondContact O-N 3.15Å
577	A	98.4	Very high	96.1	Very high	54 Å²	54	76 Å²	76	45%	0.446	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-41.4	177.8	0	0	0	0	0	111.7	E573 K574 Q580 A581	E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 2.97Å; K574-A577 PolarHBondContact O-N 3.11Å; A577-Q580 PolarHBondContact O-N 3.28Å; A577-A581 PolarHBondContact O-N 3.38Å; A577-A581 VanDerWaalsContact O-N 3.07Å
578	F	98.5	Very high	96.6	Very high	72 Å²	72	70.7 Å²	70.7	32%	0.316	38%	0.38	S	S	.	.	H	α-helix	trans	-57.9	-49.2	171.7	-178.3	-80.3	0	0	0	111	K574 V575 K576 Q580 A581 E582 P586 H638	K574-F578 PolarHBondContact O-N 3Å; V575-F578 PolarHBondContact O-N 2.93Å; K576-F578 VanDerWaalsContact C-N 3.34Å; K576-F578 PolarHBondContact O-N 3.42Å; F578-Q580 VanDerWaalsContact C-N 3.26Å; F578-Q580 PolarHBondContact O-N 3.07Å; F578-A581 PolarHBondContact O-N 3.05Å; F578-E582 HydrophobicContact CD1-CB 4.25Å; F578-E582 HydrophobicContact CD1-CG 4.13Å; F578-E582 HydrophobicContact CD2-CG 4.25Å; F578-E582 HydrophobicContact CE1-CB 3.87Å; F578-E582 HydrophobicContact CE1-CG 3.76Å; F578-E582 HydrophobicContact CE2-CG 3.9Å; F578-E582 HydrophobicContact CG-CG 4.37Å; F578-E582 HydrophobicContact CZ-CB 4.22Å; F578-E582 HydrophobicContact CZ-CG 3.65Å; F578-E582 PolarHBondContact O-N 3.42Å; F578-P586 HydrophobicContact CD1-CB 3.82Å; F578-P586 HydrophobicContact CD1-CG 4.11Å; F578-P586 HydrophobicContact CE1-CB 3.76Å; F578-P586 HydrophobicContact CG-CB 4.33Å; F578-P586 HydrophobicContact CZ-CB 4.2Å; F578-H638 AromaticContact CZ-CD2 3.99Å; F578-H638 AromaticContact CZ-NE2 3.97Å
579	A	98	Very high	97	Very high	27 Å²	27	70 Å²	70	22%	0.223	38%	0.377	C	S	.	.	H	α-helix	trans	-62.6	-33.4	-178.9	0	0	0	0	0	113.4	V575 K576 G583 R584 Q585	V575-A579 PolarHBondContact O-N 2.93Å; K576-A579 PolarHBondContact O-N 3.45Å; A579-G583 CarbonylContact O-C 3.42Å; A579-G583 WeakPolarHBondContact O-CA 3.34Å; A579-G583 PolarHBondContact O-N 3.38Å; A579-R584 VanDerWaalsContact CA-O 3.27Å; A579-R584 WeakPolarHBondContact CA-O 3.3Å; A579-R584 PolarHBondContact O-N 2.77Å; A579-Q585 HydrophobicContact CB-CG 4.45Å
580	Q	97.8	Very high	97.3	Very high	165 Å²	165	67.8 Å²	67.8	77%	0.771	36%	0.357	S	S	*	.	H	α-helix	trans	-69.4	-36.5	173.8	-71.9	172.9	4.3	0	0	112.6	K576 A577 F578	K576-Q580 WeakPolarHBondContact O-CG 3.44Å; K576-Q580 PolarHBondContact O-N 3.15Å; A577-Q580 PolarHBondContact O-N 3.28Å; F578-Q580 VanDerWaalsContact C-N 3.26Å; F578-Q580 PolarHBondContact O-N 3.07Å
581	A	97.9	Very high	97.4	Very high	79 Å²	79	62.3 Å²	62.3	65%	0.653	33%	0.332	S	S	*	.	H	α-helix	trans	-77.2	-43.9	-179.6	0	0	0	0	0	112.8	A577 F578	A577-A581 PolarHBondContact O-N 3.38Å; A577-A581 VanDerWaalsContact O-N 3.07Å; F578-A581 PolarHBondContact O-N 3.05Å
582	E	96.9	Very high	97.6	Very high	122 Å²	122	60.3 Å²	60.3	57%	0.57	32%	0.319	S	S	*	.	H	α-helix	trans	-95.5	-7.4	-173.3	-61.6	-60.7	143.9	0	0	113.4	F578 R584	F578-E582 HydrophobicContact CD1-CB 4.25Å; F578-E582 HydrophobicContact CD1-CG 4.13Å; F578-E582 HydrophobicContact CD2-CG 4.25Å; F578-E582 HydrophobicContact CE1-CB 3.87Å; F578-E582 HydrophobicContact CE1-CG 3.76Å; F578-E582 HydrophobicContact CE2-CG 3.9Å; F578-E582 HydrophobicContact CG-CG 4.37Å; F578-E582 HydrophobicContact CZ-CB 4.22Å; F578-E582 HydrophobicContact CZ-CG 3.65Å; F578-E582 PolarHBondContact O-N 3.42Å; E582-R584 VanDerWaalsContact C-N 3.26Å; E582-R584 PolarHBondContact O-N 2.86Å
583	G	97.5	Very high	97.7	Very high	71 Å²	71	58.8 Å²	58.8	73%	0.732	31%	0.312	S	S	*	.	S	Bend	trans	77.5	3.5	179	0	0	0	0	0	115.1	A579	A579-G583 CarbonylContact O-C 3.42Å; A579-G583 WeakPolarHBondContact O-CA 3.34Å; A579-G583 PolarHBondContact O-N 3.38Å
584	R	98.2	Very high	97.7	Very high	86 Å²	86	53.8 Å²	53.8	33%	0.325	29%	0.289	S	S	.	.	S	Bend	trans	-155.9	160.1	175.8	61.9	177.2	-177.6	166.9	-0.1	111.3	A579 E582 D636 H638	A579-R584 VanDerWaalsContact CA-O 3.27Å; A579-R584 WeakPolarHBondContact CA-O 3.3Å; A579-R584 PolarHBondContact O-N 2.77Å; E582-R584 VanDerWaalsContact C-N 3.26Å; E582-R584 PolarHBondContact O-N 2.86Å; R584-D636 IonicContact CZ-OD2 3.36Å; R584-D636 VanDerWaalsContact CZ-OD2 3.25Å; R584-D636 PolarHBondContact NH1-O 3.27Å; R584-D636 IonicContact NH1-OD2 3.23Å; R584-D636 PolarHBondContact NH1-OD2 3.02Å; R584-D636 PolarHBondContact NH2-O 2.98Å; R584-D636 IonicContact NH2-OD1 3.86Å; R584-D636 IonicContact NH2-OD2 3.36Å; R584-D636 PolarHBondContact NH2-OD2 3.34Å; R584-D636 VanDerWaalsContact NH2-OD2 3.15Å; R584-H638 VanDerWaalsContact CZ-CE1 3.42Å; R584-H638 PolarHBondContact NE-CE1 3.49Å; R584-H638 PolarHBondContact NE-NE2 2.91Å; R584-H638 VanDerWaalsContact NE-NE2 3.16Å; R584-H638 PolarHBondContact NH2-CE1 3.28Å; R584-H638 PolarHBondContact NH2-NE2 2.96Å; R584-H638 VanDerWaalsContact NH2-NE2 3.13Å
585	Q	98.1	Very high	97.7	Very high	80 Å²	80	46.8 Å²	46.8	37%	0.374	26%	0.259	S	S	.	.			trans	-60.8	151.3	175.7	-69.7	152	-90.7	0	0	111.5	A579 R587 G613 D615 H638	A579-Q585 HydrophobicContact CB-CG 4.45Å; Q585-R587 PolarHBondContact O-N 3.29Å; Q585-G613 PolarHBondContact NE2-O 2.97Å; Q585-D615 HydrophobicContact CB-CB 4.4Å; Q585-D615 VanDerWaalsContact CD-OD1 3.23Å; Q585-D615 PolarHBondContact NE2-OD1 3.22Å; Q585-D615 PolarHBondContact OE1-OD1 3.27Å; Q585-H638 PolarHBondContact O-CE1 3.33Å
586	P	98.4	Very high	97.6	Very high	12 Å²	12	46.5 Å²	46.5	8%	0.078	26%	0.257	C	S	.	.			trans	-61.5	125.4	168.8	28	-32.2	0	0	0	108.3	V575 F578 F614 D615	V575-P586 HydrophobicContact CG1-CG 3.89Å; V575-P586 HydrophobicContact CG2-CG 4.4Å; F578-P586 HydrophobicContact CD1-CB 3.82Å; F578-P586 HydrophobicContact CD1-CG 4.11Å; F578-P586 HydrophobicContact CE1-CB 3.76Å; F578-P586 HydrophobicContact CG-CB 4.33Å; F578-P586 HydrophobicContact CZ-CB 4.2Å; P586-F614 HydrophobicContact CB-CD1 3.69Å; P586-F614 HydrophobicContact CB-CE1 3.62Å; P586-F614 HydrophobicContact CB-CZ 4.41Å; P586-F614 HydrophobicContact CG-CD1 3.57Å; P586-F614 HydrophobicContact CG-CD2 4.35Å; P586-F614 HydrophobicContact CG-CE1 3.64Å; P586-F614 HydrophobicContact CG-CE2 4.41Å; P586-F614 HydrophobicContact CG-CG 3.94Å; P586-F614 HydrophobicContact CG-CZ 4.07Å; P586-F614 WeakPolarHBondContact O-CA 3.33Å; P586-F614 WeakPolarHBondContact O-CD1 3.39Å; P586-D615 PolarHBondContact O-N 3.22Å
587	R	98.6	Very high	97.5	Very high	71 Å²	71	42 Å²	42	27%	0.268	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.3	-172.7	-168.2	174.3	-174	167	8.4	110.7	Q585 D615 D617 A635 V637 H638 A639	Q585-R587 PolarHBondContact O-N 3.29Å; R587-D615 CarbonylContact C-O 3.48Å; R587-D615 VanDerWaalsContact CA-O 3.25Å; R587-D615 WeakPolarHBondContact CA-O 3.39Å; R587-D615 HydrophobicContact CB-CB 4.1Å; R587-D615 HydrophobicContact CG-CB 3.85Å; R587-D617 IonicContact CZ-OD1 2.8Å; R587-D617 IonicContact CZ-OD2 2.77Å; R587-D617 VanDerWaalsContact CZ-OD2 3.22Å; R587-D617 IonicContact NE-OD1 3.1Å; R587-D617 IonicContact NE-OD2 2.64Å; R587-D617 PolarHBondContact NE-OD2 3.38Å; R587-D617 VanDerWaalsContact NH2-CG 3.35Å; R587-D617 IonicContact NH2-OD1 3.39Å; R587-D617 PolarHBondContact NH2-OD1 3.41Å; R587-D617 IonicContact NH2-OD2 3.63Å; R587-D617 PolarHBondContact NH2-OD2 3.05Å; R587-A635 VanDerWaalsContact CZ-O 3.25Å; R587-A635 PolarHBondContact NE-O 3.44Å; R587-A635 PolarHBondContact NH1-O 2.96Å; R587-V637 HydrophobicContact CG-CB 4.42Å; R587-V637 HydrophobicContact CG-CG1 4Å; R587-H638 PolarHBondContact N-ND1 2.86Å; R587-H638 PolarHBondContact O-N 2.93Å; R587-A639 PolarHBondContact O-N 2.99Å
588	I	98.3	Very high	97.3	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.3	-178.2	-173	169.5	0	0	0	111.2	I590 Y609 F614 D615 V616 D617 A639 I671	I588-I590 HydrophobicContact CD1-CD1 3.67Å; I588-I590 HydrophobicContact CG1-CD1 3.85Å; I588-I590 HydrophobicContact CG2-CD1 4.37Å; I588-Y609 HydrophobicContact CD1-CD2 4.3Å; I588-Y609 HydrophobicContact CD1-CE2 4.01Å; I588-Y609 HydrophobicContact CG2-CD2 4.09Å; I588-F614 HydrophobicContact CG2-CD1 4.38Å; I588-D615 PolarHBondContact N-O 3.33Å; I588-V616 HydrophobicContact CG2-CB 4.43Å; I588-V616 HydrophobicContact CG2-CG1 4.3Å; I588-V616 HydrophobicContact CG2-CG2 3.96Å; I588-D617 PolarHBondContact O-N 3.16Å; I588-A639 WeakPolarHBondContact CA-O 3.48Å; I588-A639 HydrophobicContact CG1-CB 4.32Å; I588-I671 HydrophobicContact CD1-CD1 4.02Å
589	F	98.3	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113.2	170.3	178.6	-124.1	0	0	0	110.4	A591 D617 G619 A628 Q631 A632 V637 A639 V640 G641	F589-A591 HydrophobicContact CD1-CB 3.97Å; F589-A591 HydrophobicContact CE1-CB 3.68Å; F589-A591 HydrophobicContact CZ-CB 4.39Å; F589-A591 PolarHBondContact O-N 3.38Å; F589-D617 CarbonylContact C-O 3.51Å; F589-D617 WeakPolarHBondContact CA-O 3.41Å; F589-D617 HydrophobicContact CD2-CB 3.8Å; F589-G619 VanDerWaalsContact CE2-N 3.32Å; F589-G619 VanDerWaalsContact CZ-CA 3.47Å; F589-A628 HydrophobicContact CE1-CB 4.14Å; F589-Q631 HydrophobicContact CE2-CG 3.99Å; F589-Q631 HydrophobicContact CZ-CB 4.18Å; F589-Q631 HydrophobicContact CZ-CG 4.06Å; F589-A632 HydrophobicContact CD1-CB 3.99Å; F589-V637 HydrophobicContact CB-CB 4.38Å; F589-V637 HydrophobicContact CB-CG1 3.9Å; F589-V637 HydrophobicContact CB-CG2 4.06Å; F589-A639 PolarHBondContact N-O 3.4Å; F589-V640 HydrophobicContact CB-CG2 4.37Å; F589-V640 HydrophobicContact CD1-CG1 3.98Å; F589-V640 HydrophobicContact CD1-CG2 4.2Å; F589-V640 CarbonylContact O-C 3.59Å; F589-V640 WeakPolarHBondContact O-CA 3.49Å; F589-G641 PolarHBondContact O-N 3.42Å
590	I	97.7	Very high	97	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	106.6	176.1	-53.1	-60.9	0	0	0	108.9	I588 V605 A606 V616 D617 G619 G641	I588-I590 HydrophobicContact CD1-CD1 3.67Å; I588-I590 HydrophobicContact CG1-CD1 3.85Å; I588-I590 HydrophobicContact CG2-CD1 4.37Å; I590-V605 HydrophobicContact CD1-CG1 4.12Å; I590-A606 HydrophobicContact CG1-CB 4.36Å; I590-V616 HydrophobicContact CG1-CG1 3.95Å; I590-D617 PolarHBondContact N-O 3.04Å; I590-G619 PolarHBondContact O-N 3.45Å; I590-G641 CarbonylContact C-O 3.57Å; I590-G641 WeakPolarHBondContact CA-O 3.5Å
591	A	97.4	Very high	96.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140	-172.3	0	0	0	0	0	112.7	F589 V640 G641 S643	F589-A591 HydrophobicContact CD1-CB 3.97Å; F589-A591 HydrophobicContact CE1-CB 3.68Å; F589-A591 HydrophobicContact CZ-CB 4.39Å; F589-A591 PolarHBondContact O-N 3.38Å; A591-V640 HydrophobicContact CB-CG1 3.87Å; A591-G641 PolarHBondContact N-O 3.28Å; A591-S643 PolarHBondContact O-N 3.01Å
592	K	96.9	Very high	96.6	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.026	17%	0.174	C	C	.	.			trans	-114.7	123.8	163.9	-66.6	-62	-55.7	-176.1	0	108	D596 H598 L621 S643	K592-D596 VanDerWaalsContact CE-O 3.3Å; K592-D596 WeakPolarHBondContact CE-O 3.48Å; K592-D596 VanDerWaalsContact NZ-CG 3.26Å; K592-D596 IonicContact NZ-OD1 3.25Å; K592-D596 IonicContact NZ-OD2 3.96Å; K592-D596 PolarHBondContact NZ-OD2 2.87Å; K592-H598 WeakPolarHBondContact CE-O 3.15Å; K592-H598 PolarHBondContact NZ-O 2.75Å; K592-L621 HydrophobicContact CB-CD2 4.15Å; K592-L621 HydrophobicContact CG-CD2 4.05Å; K592-S643 WeakPolarHBondContact CD-O 3.46Å; K592-S643 WeakPolarHBondContact CE-O 3.36Å; K592-S643 PolarHBondContact NZ-O 3.4Å
593	M	96.8	Very high	96.5	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.049	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-119	151.5	-178.2	-62.8	-171.9	-67.3	0	0	111.3	Q623 P625 A628 V642 L652 V653 L656	M593-Q623 WeakPolarHBondContact CA-O 3.49Å; M593-P625 HydrophobicContact SD-CB 3.97Å; M593-P625 HydrophobicContact SD-CG 4.01Å; M593-A628 HydrophobicContact CG-CB 4.26Å; M593-A628 HydrophobicContact SD-CB 4.33Å; M593-V642 HydrophobicContact CE-CB 4.36Å; M593-V642 HydrophobicContact CE-CG1 3.57Å; M593-V642 HydrophobicContact CE-CG2 3.8Å; M593-L652 HydrophobicContact CB-CB 4.34Å; M593-L652 HydrophobicContact CB-CD1 4.11Å; M593-L652 HydrophobicContact CE-CB 4.06Å; M593-V653 HydrophobicContact CE-CG2 4.2Å; M593-L656 HydrophobicContact CE-CB 4.03Å; M593-L656 HydrophobicContact CE-CD2 3.89Å; M593-L656 HydrophobicContact SD-CB 3.83Å; M593-L656 HydrophobicContact SD-CD1 4.13Å; M593-L656 HydrophobicContact SD-CD2 4.01Å; M593-L656 HydrophobicContact SD-CG 4.2Å
594	G	96.5	Very high	96.4	Very high	4 Å²	4	23.4 Å²	23.4	4%	0.041	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-155.4	-177.2	0	0	0	0	0	111.7	D596 F622 Q623	G594-D596 VanDerWaalsContact C-N 3.29Å; G594-D596 PolarHBondContact O-N 3.31Å; G594-F622 VanDerWaalsContact O-CA 3.3Å; G594-F622 WeakPolarHBondContact O-CA 3.43Å; G594-Q623 PolarHBondContact N-O 3.2Å
595	Q	97.1	Very high	96.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	8	-177.4	-57.3	-47.7	-57.5	0	0	113.9	L110 R122 V123 D126 G597	L110-Q595 HydrophobicContact CB-CB 3.65Å; L110-Q595 HydrophobicContact CD1-CB 4.4Å; R122-Q595 PolarHBondContact O-NE2 2.91Å; V123-Q595 HydrophobicContact CB-CG 4.34Å; V123-Q595 HydrophobicContact CG1-CG 3.66Å; D126-Q595 HydrophobicContact CB-CB 4.34Å; D126-Q595 HydrophobicContact CB-CG 4.32Å; D126-Q595 PolarHBondContact OD1-N 3.15Å; D126-Q595 WeakPolarHBondContact OD2-CG 3.43Å; D126-Q595 PolarHBondContact OD2-N 2.93Å; D126-Q595 VanDerWaalsContact OD2-N 3.16Å; Q595-G597 PolarHBondContact O-N 2.68Å; Q595-G597 VanDerWaalsContact O-N 3.09Å
596	D	95.3	Very high	96.2	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.021	10%	0.095	C	C	.	.			trans	-64.9	107.5	-177.4	-174.2	7.2	0	0	0	112.6	K592 G594 H598 L645 A646	K592-D596 VanDerWaalsContact CE-O 3.3Å; K592-D596 WeakPolarHBondContact CE-O 3.48Å; K592-D596 VanDerWaalsContact NZ-CG 3.26Å; K592-D596 IonicContact NZ-OD1 3.25Å; K592-D596 IonicContact NZ-OD2 3.96Å; K592-D596 PolarHBondContact NZ-OD2 2.87Å; G594-D596 VanDerWaalsContact C-N 3.29Å; G594-D596 PolarHBondContact O-N 3.31Å; D596-H598 WeakPolarHBondContact OD1-CB 3.47Å; D596-H598 IonicContact OD1-CE1 3.43Å; D596-H598 IonicContact OD1-CG 2.71Å; D596-H598 PolarHBondContact OD1-N 3.43Å; D596-H598 IonicContact OD1-ND1 2.78Å; D596-H598 PolarHBondContact OD1-ND1 2.98Å; D596-L645 PolarHBondContact OD2-N 3.5Å; D596-A646 HydrophobicContact CB-CB 3.7Å
597	G	95.1	Very high	96.1	Very high	4 Å²	4	17.2 Å²	17.2	4%	0.041	9%	0.093	C	C	.	.			trans	-86.7	-5.1	179.2	0	0	0	0	0	115.1	N199 Q595 D599	N199-G597 PolarHBondContact ND2-O 2.97Å; Q595-G597 PolarHBondContact O-N 2.68Å; Q595-G597 VanDerWaalsContact O-N 3.09Å; G597-D599 PolarHBondContact O-N 3.39Å; G597-D599 VanDerWaalsContact O-N 3.16Å
598	H	93.4	Very high	95.9	Very high	102 Å²	102	13.9 Å²	13.9	47%	0.472	8%	0.08	S	C	.	.			trans	-71.1	111.7	-178.5	-59	92.3	0	0	0	110.7	K592 D596 L645	K592-H598 WeakPolarHBondContact CE-O 3.15Å; K592-H598 PolarHBondContact NZ-O 2.75Å; D596-H598 WeakPolarHBondContact OD1-CB 3.47Å; D596-H598 IonicContact OD1-CE1 3.43Å; D596-H598 IonicContact OD1-CG 2.71Å; D596-H598 PolarHBondContact OD1-N 3.43Å; D596-H598 IonicContact OD1-ND1 2.78Å; D596-H598 PolarHBondContact OD1-ND1 2.98Å; H598-L645 HydrophobicContact CB-CB 3.9Å; H598-L645 HydrophobicContact CB-CD1 4.28Å; H598-L645 HydrophobicContact CB-CD2 3.92Å; H598-L645 HydrophobicContact CB-CG 4.25Å
599	D	95.4	Very high	95.8	Very high	9 Å²	9	15.2 Å²	15.2	5%	0.048	9%	0.085	C	C	.	.			trans	-117.6	-8.8	-174.5	64.9	2.4	0	0	0	114.7	N199 K435 G597 G601 S602 K603	N199-D599 PolarHBondContact ND2-OD2 3.49Å; K435-D599 IonicContact NZ-OD1 3.35Å; K435-D599 IonicContact NZ-OD2 3.71Å; K435-D599 PolarHBondContact NZ-OD2 3.2Å; G597-D599 PolarHBondContact O-N 3.39Å; G597-D599 VanDerWaalsContact O-N 3.16Å; D599-G601 PolarHBondContact O-N 3.25Å; D599-S602 VanDerWaalsContact CA-OG 3.28Å; D599-S602 WeakPolarHBondContact CA-OG 3.29Å; D599-S602 PolarHBondContact O-N 3.31Å; D599-S602 PolarHBondContact O-OG 3.26Å; D599-K603 HydrophobicContact CB-CG 4.22Å; D599-K603 VanDerWaalsContact O-CB 3.32Å; D599-K603 WeakPolarHBondContact O-CB 3.31Å; D599-K603 WeakPolarHBondContact O-CG 3.48Å; D599-K603 PolarHBondContact O-N 3.04Å
600	R	95.3	Very high	95.7	Very high	27 Å²	27	16.9 Å²	16.9	10%	0.102	10%	0.099	C	C	.	.	H	α-helix	trans	-50.1	-56	179	180	180	177	173.7	-5.4	112.6	E238 A239 A442 K603 V604	E238-R600 VanDerWaalsContact O-CD 3.22Å; E238-R600 WeakPolarHBondContact O-CD 3.39Å; E238-R600 PolarHBondContact O-NH1 3.08Å; A239-R600 WeakPolarHBondContact O-CD 3.34Å; A442-R600 HydrophobicContact CB-CG 4.25Å; R600-K603 PolarHBondContact O-N 3.02Å; R600-V604 HydrophobicContact CG-CG2 4.43Å; R600-V604 WeakPolarHBondContact O-CB 3.48Å; R600-V604 VanDerWaalsContact O-CG2 3.28Å; R600-V604 WeakPolarHBondContact O-CG2 3.3Å; R600-V604 PolarHBondContact O-N 2.97Å
601	G	93.4	Very high	95.5	Very high	36 Å²	36	17.3 Å²	17.3	37%	0.371	10%	0.101	S	C	.	.	H	α-helix	trans	-59.5	-49.8	-179.5	0	0	0	0	0	111.8	D599 K603 V604 V605	D599-G601 PolarHBondContact O-N 3.25Å; G601-K603 VanDerWaalsContact C-N 3.33Å; G601-K603 PolarHBondContact O-N 3.36Å; G601-V604 PolarHBondContact O-N 3.23Å; G601-V605 WeakPolarHBondContact O-CB 3.46Å; G601-V605 VanDerWaalsContact O-CG2 3.3Å; G601-V605 WeakPolarHBondContact O-CG2 3.32Å; G601-V605 PolarHBondContact O-N 3.48Å
602	S	94.7	Very high	95.4	Very high	7 Å²	7	17.6 Å²	17.6	5%	0.049	10%	0.103	C	C	.	.	H	α-helix	trans	-60.2	-38.5	177.6	51.3	0	0	0	0	113.6	D599 A606	D599-S602 VanDerWaalsContact CA-OG 3.28Å; D599-S602 WeakPolarHBondContact CA-OG 3.29Å; D599-S602 PolarHBondContact O-N 3.31Å; D599-S602 PolarHBondContact O-OG 3.26Å; S602-A606 WeakPolarHBondContact O-CB 3.46Å; S602-A606 PolarHBondContact O-N 2.9Å
603	K	95	Very high	95.3	Very high	13 Å²	13	18.4 Å²	18.4	6%	0.057	11%	0.112	C	C	.	.	H	α-helix	trans	-72.7	-40.4	-179.5	-72	-72.3	-173.5	174.7	0	111.7	S551 R552 D599 R600 G601 A606 T607 I618	S551-K603 PolarHBondContact OG-NZ 3.44Å; S551-K603 VanDerWaalsContact OG-NZ 3.13Å; R552-K603 PolarHBondContact O-NZ 2.72Å; D599-K603 HydrophobicContact CB-CG 4.22Å; D599-K603 VanDerWaalsContact O-CB 3.32Å; D599-K603 WeakPolarHBondContact O-CB 3.31Å; D599-K603 WeakPolarHBondContact O-CG 3.48Å; D599-K603 PolarHBondContact O-N 3.04Å; R600-K603 PolarHBondContact O-N 3.02Å; G601-K603 VanDerWaalsContact C-N 3.33Å; G601-K603 PolarHBondContact O-N 3.36Å; K603-A606 PolarHBondContact O-N 3.5Å; K603-T607 WeakPolarHBondContact O-CG2 3.41Å; K603-T607 PolarHBondContact O-N 3.25Å; K603-I618 HydrophobicContact CD-CD1 4.2Å
604	V	95.7	Very high	95.4	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.03	12%	0.121	C	C	.	.	H	α-helix	trans	-67	-43.6	176.2	171.9	0	0	0	0	111.2	A442 Q446 R600 G601 T607 G608 L699	A442-V604 HydrophobicContact CB-CG2 3.93Å; Q446-V604 HydrophobicContact CB-CG1 3.51Å; Q446-V604 HydrophobicContact CG-CG1 3.52Å; R600-V604 HydrophobicContact CG-CG2 4.43Å; R600-V604 WeakPolarHBondContact O-CB 3.48Å; R600-V604 VanDerWaalsContact O-CG2 3.28Å; R600-V604 WeakPolarHBondContact O-CG2 3.3Å; R600-V604 PolarHBondContact O-N 2.97Å; G601-V604 PolarHBondContact O-N 3.23Å; V604-T607 VanDerWaalsContact O-CG2 3.29Å; V604-T607 WeakPolarHBondContact O-CG2 3.48Å; V604-G608 PolarHBondContact O-N 3.15Å; V604-L699 HydrophobicContact CG1-CD1 3.97Å
605	V	95.6	Very high	95.4	Very high	44 Å²	44	22.9 Å²	22.9	27%	0.267	13%	0.133	S	C	.	.	H	α-helix	trans	-61	-46	172.4	171.9	0	0	0	0	111	I590 G601 T607 G608 Y609 L699	I590-V605 HydrophobicContact CD1-CG1 4.12Å; G601-V605 WeakPolarHBondContact O-CB 3.46Å; G601-V605 VanDerWaalsContact O-CG2 3.3Å; G601-V605 WeakPolarHBondContact O-CG2 3.32Å; G601-V605 PolarHBondContact O-N 3.48Å; V605-T607 PolarHBondContact O-N 3.32Å; V605-G608 PolarHBondContact O-N 2.97Å; V605-Y609 HydrophobicContact CG1-CD1 4.23Å; V605-Y609 HydrophobicContact CG1-CE1 4.21Å; V605-Y609 HydrophobicContact CG1-CG 4.42Å; V605-Y609 WeakPolarHBondContact O-CB 3.38Å; V605-Y609 PolarHBondContact O-N 3.02Å; V605-L699 HydrophobicContact CB-CD1 4.42Å; V605-L699 HydrophobicContact CG2-CD1 3.8Å; V605-L699 HydrophobicContact CG2-CG 4.43Å
606	A	95.9	Very high	95.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-47.6	-179.8	0	0	0	0	0	112.5	I590 S602 K603 A610 V616 I618	I590-A606 HydrophobicContact CG1-CB 4.36Å; S602-A606 WeakPolarHBondContact O-CB 3.46Å; S602-A606 PolarHBondContact O-N 2.9Å; K603-A606 PolarHBondContact O-N 3.5Å; A606-A610 WeakPolarHBondContact O-CB 3.42Å; A606-A610 PolarHBondContact O-N 3.33Å; A606-V616 HydrophobicContact CB-CG1 3.74Å; A606-I618 HydrophobicContact CB-CD1 3.8Å; A606-I618 HydrophobicContact CB-CG1 3.92Å
607	T	95.6	Very high	95.5	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-68.8	-39.2	178.8	-169.3	0	0	0	0	112	A443 V554 K603 V604 V605 A610 D611	A443-T607 HydrophobicContact CB-CG2 3.93Å; V554-T607 WeakPolarHBondContact O-CB 3.36Å; V554-T607 PolarHBondContact O-OG1 3.4Å; K603-T607 WeakPolarHBondContact O-CG2 3.41Å; K603-T607 PolarHBondContact O-N 3.25Å; V604-T607 VanDerWaalsContact O-CG2 3.29Å; V604-T607 WeakPolarHBondContact O-CG2 3.48Å; V605-T607 PolarHBondContact O-N 3.32Å; T607-A610 PolarHBondContact O-N 3.39Å; T607-D611 WeakPolarHBondContact O-CB 3.43Å; T607-D611 PolarHBondContact O-N 3.03Å
608	G	95.1	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-44.9	177.4	0	0	0	0	0	112.6	V604 V605 D611 M612	V604-G608 PolarHBondContact O-N 3.15Å; V605-G608 PolarHBondContact O-N 2.97Å; G608-D611 PolarHBondContact O-N 3.4Å; G608-M612 VanDerWaalsContact O-CE 3.3Å; G608-M612 WeakPolarHBondContact O-CE 3.39Å; G608-M612 WeakPolarHBondContact O-CG 3.25Å; G608-M612 PolarHBondContact O-N 3.39Å; G608-M612 VanDerWaalsContact O-N 3.11Å
609	Y	96.1	Very high	95.5	Very high	35 Å²	35	22.5 Å²	22.5	14%	0.137	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-41	177.1	-83.7	29.4	0	0	0	111.8	I588 V605 D611 M612 G613 F614 L699	I588-Y609 HydrophobicContact CD1-CD2 4.3Å; I588-Y609 HydrophobicContact CD1-CE2 4.01Å; I588-Y609 HydrophobicContact CG2-CD2 4.09Å; V605-Y609 HydrophobicContact CG1-CD1 4.23Å; V605-Y609 HydrophobicContact CG1-CE1 4.21Å; V605-Y609 HydrophobicContact CG1-CG 4.42Å; V605-Y609 WeakPolarHBondContact O-CB 3.38Å; V605-Y609 PolarHBondContact O-N 3.02Å; Y609-D611 VanDerWaalsContact C-N 3.34Å; Y609-D611 PolarHBondContact O-N 3.09Å; Y609-M612 HydrophobicContact CD1-CE 4.02Å; Y609-M612 HydrophobicContact CE1-CE 4.47Å; Y609-M612 CarbonylContact O-C 3.51Å; Y609-M612 PolarHBondContact O-N 3.15Å; Y609-M612 VanDerWaalsContact O-N 3.14Å; Y609-G613 PolarHBondContact O-N 3.02Å; Y609-G613 VanDerWaalsContact O-N 3.09Å; Y609-F614 HydrophobicContact CD2-CD1 4.1Å; Y609-F614 HydrophobicContact CD2-CD2 4.29Å; Y609-F614 HydrophobicContact CD2-CE1 4.28Å; Y609-F614 HydrophobicContact CD2-CE2 4.46Å; Y609-F614 HydrophobicContact CD2-CG 4.11Å; Y609-F614 HydrophobicContact CD2-CZ 4.47Å; Y609-F614 HydrophobicContact CE2-CE1 4.48Å; Y609-F614 HydrophobicContact CG-CD2 4.31Å; Y609-F614 HydrophobicContact CG-CG 4.42Å; Y609-F614 WeakPolarHBondContact O-CB 3.26Å; Y609-F614 PolarHBondContact O-N 3.15Å; Y609-L699 HydrophobicContact CD1-CD2 3.64Å; Y609-L699 HydrophobicContact CE1-CD2 3.79Å; Y609-L699 HydrophobicContact CE1-CG 4.45Å
610	A	95.8	Very high	95.4	Very high	35 Å²	35	24.9 Å²	24.9	29%	0.289	15%	0.151	S	C	.	.	H	α-helix	trans	-61.5	-42.9	174.7	0	0	0	0	0	111.6	M553 A606 T607 M612 G613 V616	M553-A610 HydrophobicContact SD-CB 4.31Å; A606-A610 WeakPolarHBondContact O-CB 3.42Å; A606-A610 PolarHBondContact O-N 3.33Å; T607-A610 PolarHBondContact O-N 3.39Å; A610-M612 PolarHBondContact O-N 3.35Å; A610-G613 PolarHBondContact O-N 2.66Å; A610-V616 HydrophobicContact CB-CG2 4.16Å
611	D	94.6	Very high	95.4	Very high	17 Å²	17	25.3 Å²	25.3	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-27	175.5	-83.2	3.7	0	0	0	112.9	G556 Y558 K559 T607 G608 Y609	G556-D611 VanDerWaalsContact CA-OD1 3.28Å; G556-D611 WeakPolarHBondContact CA-OD1 3.48Å; G556-D611 WeakPolarHBondContact CA-OD2 3.41Å; G556-D611 PolarHBondContact N-OD1 2.82Å; G556-D611 PolarHBondContact N-OD2 2.8Å; Y558-D611 PolarHBondContact N-OD2 3.1Å; K559-D611 HydrophobicContact CB-CB 3.94Å; K559-D611 WeakPolarHBondContact CB-OD2 3.35Å; K559-D611 PolarHBondContact N-OD2 2.77Å; T607-D611 WeakPolarHBondContact O-CB 3.43Å; T607-D611 PolarHBondContact O-N 3.03Å; G608-D611 PolarHBondContact O-N 3.4Å; Y609-D611 VanDerWaalsContact C-N 3.34Å; Y609-D611 PolarHBondContact O-N 3.09Å
612	M	94.3	Very high	95.5	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.03	14%	0.143	C	C	.	.	H	α-helix	trans	-90	-4.7	176.2	-68.5	-173.4	-88	0	0	114.1	V571 G608 Y609 A610 L699	V571-M612 HydrophobicContact CB-SD 4.15Å; V571-M612 HydrophobicContact CG1-CB 4.31Å; V571-M612 HydrophobicContact CG1-CG 4.43Å; V571-M612 HydrophobicContact CG1-SD 3.65Å; G608-M612 VanDerWaalsContact O-CE 3.3Å; G608-M612 WeakPolarHBondContact O-CE 3.39Å; G608-M612 WeakPolarHBondContact O-CG 3.25Å; G608-M612 PolarHBondContact O-N 3.39Å; G608-M612 VanDerWaalsContact O-N 3.11Å; Y609-M612 HydrophobicContact CD1-CE 4.02Å; Y609-M612 HydrophobicContact CE1-CE 4.47Å; Y609-M612 CarbonylContact O-C 3.51Å; Y609-M612 PolarHBondContact O-N 3.15Å; Y609-M612 VanDerWaalsContact O-N 3.14Å; A610-M612 PolarHBondContact O-N 3.35Å; M612-L699 HydrophobicContact CE-CD2 3.73Å
613	G	95.7	Very high	95.6	Very high	22 Å²	22	25.3 Å²	25.3	23%	0.227	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	6.8	170.5	0	0	0	0	0	116.3	Q585 Y609 A610	Q585-G613 PolarHBondContact NE2-O 2.97Å; Y609-G613 PolarHBondContact O-N 3.02Å; Y609-G613 VanDerWaalsContact O-N 3.09Å; A610-G613 PolarHBondContact O-N 2.66Å
614	F	97.7	Very high	95.7	Very high	51 Å²	51	26.4 Å²	26.4	22%	0.224	15%	0.152	C	C	.	.			trans	-69.5	149.8	171.1	-75.1	-108	0	0	0	111.2	V575 P586 I588 Y609 V616	V575-F614 HydrophobicContact CG2-CD2 3.9Å; V575-F614 HydrophobicContact CG2-CE2 3.45Å; V575-F614 VanDerWaalsContact CG2-CE2 3.45Å; V575-F614 HydrophobicContact CG2-CZ 4.14Å; P586-F614 HydrophobicContact CB-CD1 3.69Å; P586-F614 HydrophobicContact CB-CE1 3.62Å; P586-F614 HydrophobicContact CB-CZ 4.41Å; P586-F614 HydrophobicContact CG-CD1 3.57Å; P586-F614 HydrophobicContact CG-CD2 4.35Å; P586-F614 HydrophobicContact CG-CE1 3.64Å; P586-F614 HydrophobicContact CG-CE2 4.41Å; P586-F614 HydrophobicContact CG-CG 3.94Å; P586-F614 HydrophobicContact CG-CZ 4.07Å; P586-F614 WeakPolarHBondContact O-CA 3.33Å; P586-F614 WeakPolarHBondContact O-CD1 3.39Å; I588-F614 HydrophobicContact CG2-CD1 4.38Å; Y609-F614 HydrophobicContact CD2-CD1 4.1Å; Y609-F614 HydrophobicContact CD2-CD2 4.29Å; Y609-F614 HydrophobicContact CD2-CE1 4.28Å; Y609-F614 HydrophobicContact CD2-CE2 4.46Å; Y609-F614 HydrophobicContact CD2-CG 4.11Å; Y609-F614 HydrophobicContact CD2-CZ 4.47Å; Y609-F614 HydrophobicContact CE2-CE1 4.48Å; Y609-F614 HydrophobicContact CG-CD2 4.31Å; Y609-F614 HydrophobicContact CG-CG 4.42Å; Y609-F614 WeakPolarHBondContact O-CB 3.26Å; Y609-F614 PolarHBondContact O-N 3.15Å; F614-V616 HydrophobicContact CB-CG2 3.89Å
615	D	97.8	Very high	95.8	Very high	58 Å²	58	26.4 Å²	26.4	31%	0.31	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115.7	161.1	-76.8	-13.2	0	0	0	108.4	Q585 P586 R587 I588	Q585-D615 HydrophobicContact CB-CB 4.4Å; Q585-D615 VanDerWaalsContact CD-OD1 3.23Å; Q585-D615 PolarHBondContact NE2-OD1 3.22Å; Q585-D615 PolarHBondContact OE1-OD1 3.27Å; P586-D615 PolarHBondContact O-N 3.22Å; R587-D615 CarbonylContact C-O 3.48Å; R587-D615 VanDerWaalsContact CA-O 3.25Å; R587-D615 WeakPolarHBondContact CA-O 3.39Å; R587-D615 HydrophobicContact CB-CB 4.1Å; R587-D615 HydrophobicContact CG-CB 3.85Å; I588-D615 PolarHBondContact N-O 3.33Å
616	V	97.3	Very high	95.9	Very high	22 Å²	22	28.4 Å²	28.4	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.6	-173.2	-175.5	0	0	0	0	110.8	M553 I588 I590 A606 A610 F614	M553-V616 HydrophobicContact CE-CB 4.37Å; M553-V616 HydrophobicContact CE-CG1 4.34Å; I588-V616 HydrophobicContact CG2-CB 4.43Å; I588-V616 HydrophobicContact CG2-CG1 4.3Å; I588-V616 HydrophobicContact CG2-CG2 3.96Å; I590-V616 HydrophobicContact CG1-CG1 3.95Å; A606-V616 HydrophobicContact CB-CG1 3.74Å; A610-V616 HydrophobicContact CB-CG2 4.16Å; F614-V616 HydrophobicContact CB-CG2 3.89Å
617	D	96.6	Very high	96	Very high	39 Å²	39	31.8 Å²	31.8	21%	0.209	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.8	168.9	-62.5	-62.3	0	0	0	109.6	R587 I588 F589 I590	R587-D617 IonicContact CZ-OD1 2.8Å; R587-D617 IonicContact CZ-OD2 2.77Å; R587-D617 VanDerWaalsContact CZ-OD2 3.22Å; R587-D617 IonicContact NE-OD1 3.1Å; R587-D617 IonicContact NE-OD2 2.64Å; R587-D617 PolarHBondContact NE-OD2 3.38Å; R587-D617 VanDerWaalsContact NH2-CG 3.35Å; R587-D617 IonicContact NH2-OD1 3.39Å; R587-D617 PolarHBondContact NH2-OD1 3.41Å; R587-D617 IonicContact NH2-OD2 3.63Å; R587-D617 PolarHBondContact NH2-OD2 3.05Å; I588-D617 PolarHBondContact O-N 3.16Å; F589-D617 CarbonylContact C-O 3.51Å; F589-D617 WeakPolarHBondContact CA-O 3.41Å; F589-D617 HydrophobicContact CD2-CB 3.8Å; I590-D617 PolarHBondContact N-O 3.04Å
618	I	94.9	Very high	96.1	Very high	38 Å²	38	31.6 Å²	31.6	20%	0.195	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.7	175.9	-60	177.8	0	0	0	109.2	M553 K603 A606	M553-I618 HydrophobicContact CB-CD1 4.41Å; M553-I618 HydrophobicContact CE-CD1 3.37Å; M553-I618 HydrophobicContact CE-CG1 3.68Å; M553-I618 HydrophobicContact CG-CD1 4.05Å; M553-I618 HydrophobicContact SD-CD1 4.45Å; K603-I618 HydrophobicContact CD-CD1 4.2Å; A606-I618 HydrophobicContact CB-CD1 3.8Å; A606-I618 HydrophobicContact CB-CG1 3.92Å
619	G	93.6	Very high	96.2	Very high	4 Å²	4	31.6 Å²	31.6	4%	0.041	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-64.2	138.5	172.6	0	0	0	0	0	112.2	F589 I590	F589-G619 VanDerWaalsContact CE2-N 3.32Å; F589-G619 VanDerWaalsContact CZ-CA 3.47Å; I590-G619 PolarHBondContact O-N 3.45Å
620	P	93.9	Very high	96.4	Very high	60 Å²	60	36.6 Å²	36.6	39%	0.39	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-53.6	153.6	163.6	-23.1	32.1	0	0	0	111.5	Q623	P620-Q623 HydrophobicContact CB-CG 4.3Å
621	L	94.9	Very high	96.5	Very high	35 Å²	35	37.9 Å²	37.9	18%	0.183	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	155.2	168.7	-66.2	168.9	0	0	0	110.5	N199 K592 Q623	N199-L621 HydrophobicContact CB-CD1 3.75Å; N199-L621 VanDerWaalsContact CG-CD1 3.42Å; K592-L621 HydrophobicContact CB-CD2 4.15Å; K592-L621 HydrophobicContact CG-CD2 4.05Å; L621-Q623 VanDerWaalsContact C-N 3.34Å; L621-Q623 PolarHBondContact O-N 3Å
622	F	95.7	Very high	96.6	Very high	25 Å²	25	37 Å²	37	11%	0.11	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	23.7	171.5	-33.6	-56.5	0	0	0	116.3	R114 N199 Y201 G594	R114-F622 VanDerWaalsContact CZ-CD2 3.41Å; R114-F622 VanDerWaalsContact NH1-CD1 3.32Å; R114-F622 VanDerWaalsContact NH1-CD2 3.28Å; R114-F622 VanDerWaalsContact NH2-CE2 3.28Å; N199-F622 HydrophobicContact CB-CZ 4.45Å; N199-F622 WeakPolarHBondContact O-CE1 3Å; N199-F622 WeakPolarHBondContact O-CZ 3.26Å; Y201-F622 AromaticContact CE2-CE2 3.86Å; Y201-F622 HydrophobicContact CE2-CE2 3.86Å; Y201-F622 HydrophobicContact CE2-CZ 4.33Å; G594-F622 VanDerWaalsContact O-CA 3.3Å; G594-F622 WeakPolarHBondContact O-CA 3.43Å
623	Q	95.7	Very high	96.8	Very high	18 Å²	18	38.3 Å²	38.3	8%	0.084	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-71.8	142.2	173.2	-67.6	-172.3	-62.2	0	0	111.4	M593 G594 P620 L621 E627 A628	M593-Q623 WeakPolarHBondContact CA-O 3.49Å; G594-Q623 PolarHBondContact N-O 3.2Å; P620-Q623 HydrophobicContact CB-CG 4.3Å; L621-Q623 VanDerWaalsContact C-N 3.34Å; L621-Q623 PolarHBondContact O-N 3Å; Q623-E627 HydrophobicContact CB-CB 4.23Å; Q623-E627 HydrophobicContact CG-CB 4.43Å; Q623-A628 HydrophobicContact CB-CB 4.42Å
624	T	97.1	Very high	97	Very high	36 Å²	36	43.4 Å²	43.4	22%	0.221	22%	0.223	C	C	.	.			trans	-73.1	158.9	160.9	59.9	0	0	0	0	110.1	R122 V626 E627 A628	R122-T624 HydrophobicContact CG-CG2 4.45Å; T624-V626 PolarHBondContact O-N 3.43Å; T624-E627 WeakPolarHBondContact CB-OE2 3.45Å; T624-E627 WeakPolarHBondContact CG2-OE2 3.34Å; T624-E627 PolarHBondContact N-OE2 3.43Å; T624-E627 PolarHBondContact O-N 2.77Å; T624-E627 VanDerWaalsContact O-N 3.14Å; T624-E627 WeakPolarHBondContact OG1-CB 3.34Å; T624-E627 VanDerWaalsContact OG1-CD 3.22Å; T624-E627 VanDerWaalsContact OG1-CG 3.25Å; T624-E627 WeakPolarHBondContact OG1-CG 3.47Å; T624-E627 PolarHBondContact OG1-N 3.33Å; T624-E627 PolarHBondContact OG1-OE2 3.01Å; T624-A628 PolarHBondContact O-N 3.27Å
625	P	97.6	Very high	97	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-55.7	-33.6	174	-27.2	36.4	0	0	0	113.6	M593 A629 L652 E655 L656	M593-P625 HydrophobicContact SD-CB 3.97Å; M593-P625 HydrophobicContact SD-CG 4.01Å; P625-A629 VanDerWaalsContact O-CB 3.3Å; P625-A629 WeakPolarHBondContact O-CB 3.43Å; P625-A629 PolarHBondContact O-N 3.16Å; P625-L652 HydrophobicContact CG-CB 4.24Å; P625-L652 HydrophobicContact CG-CD2 3.96Å; P625-E655 HydrophobicContact CB-CB 3.8Å; P625-E655 HydrophobicContact CG-CB 3.83Å; P625-L656 HydrophobicContact CB-CB 4.11Å; P625-L656 WeakPolarHBondContact O-CD1 3.38Å
626	V	97.7	Very high	97	Very high	86 Å²	86	41.9 Å²	41.9	52%	0.521	22%	0.22	S	C	.	.	H	α-helix	trans	-69.6	-42.6	177.1	179.3	0	0	0	0	112.1	T624 R630 A659	T624-V626 PolarHBondContact O-N 3.43Å; V626-R630 WeakPolarHBondContact O-CB 3.02Å; V626-R630 PolarHBondContact O-N 3.14Å; V626-A659 HydrophobicContact CG2-CB 4.3Å
627	E	97.7	Very high	97.1	Very high	71 Å²	71	40.9 Å²	40.9	33%	0.332	21%	0.214	S	C	.	.	H	α-helix	trans	-64.1	-43.8	175.9	-73.4	159.8	157.8	0	0	110.8	R122 Q623 T624 R630 Q631	R122-E627 IonicContact CZ-OE1 3.52Å; R122-E627 IonicContact NH1-OE1 3.4Å; R122-E627 PolarHBondContact NH1-OE1 3.32Å; R122-E627 IonicContact NH1-OE2 3.91Å; R122-E627 PolarHBondContact NH1-OE2 3.49Å; R122-E627 VanDerWaalsContact NH1-OE2 3.09Å; R122-E627 IonicContact NH2-OE1 3.62Å; R122-E627 PolarHBondContact NH2-OE1 3.44Å; Q623-E627 HydrophobicContact CB-CB 4.23Å; Q623-E627 HydrophobicContact CG-CB 4.43Å; T624-E627 WeakPolarHBondContact CB-OE2 3.45Å; T624-E627 WeakPolarHBondContact CG2-OE2 3.34Å; T624-E627 PolarHBondContact N-OE2 3.43Å; T624-E627 PolarHBondContact O-N 2.77Å; T624-E627 VanDerWaalsContact O-N 3.14Å; T624-E627 WeakPolarHBondContact OG1-CB 3.34Å; T624-E627 VanDerWaalsContact OG1-CD 3.22Å; T624-E627 VanDerWaalsContact OG1-CG 3.25Å; T624-E627 WeakPolarHBondContact OG1-CG 3.47Å; T624-E627 PolarHBondContact OG1-N 3.33Å; T624-E627 PolarHBondContact OG1-OE2 3.01Å; E627-R630 PolarHBondContact O-N 3.25Å; E627-Q631 PolarHBondContact O-N 3.26Å
628	A	97.8	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-45.1	176.6	0	0	0	0	0	112.3	F589 M593 Q623 T624 R630 Q631 A632 L656	F589-A628 HydrophobicContact CE1-CB 4.14Å; M593-A628 HydrophobicContact CG-CB 4.26Å; M593-A628 HydrophobicContact SD-CB 4.33Å; Q623-A628 HydrophobicContact CB-CB 4.42Å; T624-A628 PolarHBondContact O-N 3.27Å; A628-R630 PolarHBondContact O-N 2.96Å; A628-Q631 PolarHBondContact O-N 2.95Å; A628-A632 WeakPolarHBondContact O-CB 3.21Å; A628-A632 PolarHBondContact O-N 3.35Å; A628-L656 HydrophobicContact CB-CD1 4.01Å
629	A	98.6	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-46.3	175.8	0	0	0	0	0	111.6	P625 Q631 A632 V633 L656 A659 L660 L663	P625-A629 VanDerWaalsContact O-CB 3.3Å; P625-A629 WeakPolarHBondContact O-CB 3.43Å; P625-A629 PolarHBondContact O-N 3.16Å; A629-Q631 PolarHBondContact O-N 3.5Å; A629-A632 PolarHBondContact O-N 3.06Å; A629-V633 WeakPolarHBondContact O-CG2 3.5Å; A629-V633 PolarHBondContact O-N 3.46Å; A629-L656 HydrophobicContact CB-CD1 3.99Å; A629-A659 HydrophobicContact CB-CB 3.56Å; A629-L660 HydrophobicContact CB-CD2 3.99Å; A629-L660 HydrophobicContact CB-CG 4.05Å; A629-L663 HydrophobicContact CB-CD1 3.95Å
630	R	98.5	Very high	97.6	Very high	140 Å²	140	40.2 Å²	40.2	53%	0.528	21%	0.211	S	C	.	.	H	α-helix	trans	-60.2	-46.1	178.5	-177.4	166.4	-69.8	175.4	-1.2	111.7	V626 E627 A628 A632 V633 D634 L663	V626-R630 WeakPolarHBondContact O-CB 3.02Å; V626-R630 PolarHBondContact O-N 3.14Å; E627-R630 PolarHBondContact O-N 3.25Å; A628-R630 PolarHBondContact O-N 2.96Å; R630-A632 VanDerWaalsContact C-N 3.33Å; R630-A632 PolarHBondContact O-N 3.02Å; R630-V633 PolarHBondContact O-N 3.36Å; R630-D634 WeakPolarHBondContact O-CB 3.39Å; R630-D634 PolarHBondContact O-N 3.06Å; R630-L663 HydrophobicContact CB-CD1 4.25Å
631	Q	98	Very high	97.8	Very high	61 Å²	61	37.7 Å²	37.7	29%	0.285	20%	0.195	S	C	.	.	H	α-helix	trans	-63.4	-38.9	178.2	-172.9	172.9	-9.2	0	0	112.5	F589 E627 A628 A629 D634 A635	F589-Q631 HydrophobicContact CE2-CG 3.99Å; F589-Q631 HydrophobicContact CZ-CB 4.18Å; F589-Q631 HydrophobicContact CZ-CG 4.06Å; E627-Q631 PolarHBondContact O-N 3.26Å; A628-Q631 PolarHBondContact O-N 2.95Å; A629-Q631 PolarHBondContact O-N 3.5Å; Q631-D634 PolarHBondContact O-N 3.05Å; Q631-A635 VanDerWaalsContact O-CB 3.28Å; Q631-A635 WeakPolarHBondContact O-CB 3.49Å; Q631-A635 PolarHBondContact O-N 3.31Å
632	A	98.5	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-42.2	175.7	0	0	0	0	0	112.1	F589 A628 A629 R630 D636 V637 V640 L660	F589-A632 HydrophobicContact CD1-CB 3.99Å; A628-A632 WeakPolarHBondContact O-CB 3.21Å; A628-A632 PolarHBondContact O-N 3.35Å; A629-A632 PolarHBondContact O-N 3.06Å; R630-A632 VanDerWaalsContact C-N 3.33Å; R630-A632 PolarHBondContact O-N 3.02Å; A632-D636 PolarHBondContact O-N 3.43Å; A632-V637 HydrophobicContact CB-CG2 3.85Å; A632-V637 PolarHBondContact O-N 3.42Å; A632-V640 HydrophobicContact CB-CG2 3.52Å; A632-L660 HydrophobicContact CB-CD2 4.32Å
633	V	98.5	Very high	98	Very high	32 Å²	32	35.8 Å²	35.8	19%	0.194	19%	0.188	C	C	.	.	H	α-helix	trans	-67.3	-46.3	176.9	172.3	0	0	0	0	111.5	A629 R630 A635 D636 L660 L663 R665 I668	A629-V633 WeakPolarHBondContact O-CG2 3.5Å; A629-V633 PolarHBondContact O-N 3.46Å; R630-V633 PolarHBondContact O-N 3.36Å; V633-A635 VanDerWaalsContact C-N 3.26Å; V633-A635 PolarHBondContact O-N 2.95Å; V633-D636 PolarHBondContact O-N 3.12Å; V633-L660 HydrophobicContact CG2-CD2 4.08Å; V633-L663 HydrophobicContact CG2-CB 4.13Å; V633-L663 HydrophobicContact CG2-CD1 4.09Å; V633-R665 HydrophobicContact CB-CG 4.36Å; V633-R665 HydrophobicContact CG1-CG 3.88Å; V633-R665 HydrophobicContact CG2-CB 3.7Å; V633-R665 HydrophobicContact CG2-CG 3.69Å; V633-I668 HydrophobicContact CG2-CD1 4.2Å
634	D	98.2	Very high	98	Very high	129 Å²	129	35.4 Å²	35.4	69%	0.69	19%	0.187	S	C	*	.	H	α-helix	trans	-63.6	-33.2	-179.9	-68.6	-17.4	0	0	0	112	R630 Q631 D636	R630-D634 WeakPolarHBondContact O-CB 3.39Å; R630-D634 PolarHBondContact O-N 3.06Å; Q631-D634 PolarHBondContact O-N 3.05Å; D634-D636 VanDerWaalsContact C-N 3.31Å
635	A	97.8	Very high	97.7	Very high	16 Å²	16	36.2 Å²	36.2	13%	0.132	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.5	175.4	0	0	0	0	0	113.8	R587 Q631 V633 V637	R587-A635 VanDerWaalsContact CZ-O 3.25Å; R587-A635 PolarHBondContact NE-O 3.44Å; R587-A635 PolarHBondContact NH1-O 2.96Å; Q631-A635 VanDerWaalsContact O-CB 3.28Å; Q631-A635 WeakPolarHBondContact O-CB 3.49Å; Q631-A635 PolarHBondContact O-N 3.31Å; V633-A635 VanDerWaalsContact C-N 3.26Å; V633-A635 PolarHBondContact O-N 2.95Å; A635-V637 VanDerWaalsContact C-N 3.33Å; A635-V637 HydrophobicContact CB-CG1 3.78Å; A635-V637 PolarHBondContact O-N 2.91Å
636	D	98.2	Very high	97.3	Very high	62 Å²	62	36.4 Å²	36.4	33%	0.332	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	51.8	-176.3	-173.3	38.8	0	0	0	113	R584 A632 V633 D634 R665	R584-D636 IonicContact CZ-OD2 3.36Å; R584-D636 VanDerWaalsContact CZ-OD2 3.25Å; R584-D636 PolarHBondContact NH1-O 3.27Å; R584-D636 IonicContact NH1-OD2 3.23Å; R584-D636 PolarHBondContact NH1-OD2 3.02Å; R584-D636 PolarHBondContact NH2-O 2.98Å; R584-D636 IonicContact NH2-OD1 3.86Å; R584-D636 IonicContact NH2-OD2 3.36Å; R584-D636 PolarHBondContact NH2-OD2 3.34Å; R584-D636 VanDerWaalsContact NH2-OD2 3.15Å; A632-D636 PolarHBondContact O-N 3.43Å; V633-D636 PolarHBondContact O-N 3.12Å; D634-D636 VanDerWaalsContact C-N 3.31Å; D636-R665 IonicContact OD1-CZ 3.38Å; D636-R665 IonicContact OD1-NH1 3.89Å; D636-R665 PolarHBondContact OD1-NH1 3.03Å; D636-R665 IonicContact OD1-NH2 3.47Å; D636-R665 PolarHBondContact OD1-NH2 2.69Å
637	V	98.6	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.			trans	-76.4	154.3	-179.8	-54.2	0	0	0	0	111.7	R587 F589 A632 A635 A639 V640 I668	R587-V637 HydrophobicContact CG-CB 4.42Å; R587-V637 HydrophobicContact CG-CG1 4Å; F589-V637 HydrophobicContact CB-CB 4.38Å; F589-V637 HydrophobicContact CB-CG1 3.9Å; F589-V637 HydrophobicContact CB-CG2 4.06Å; A632-V637 HydrophobicContact CB-CG2 3.85Å; A632-V637 PolarHBondContact O-N 3.42Å; A635-V637 VanDerWaalsContact C-N 3.33Å; A635-V637 HydrophobicContact CB-CG1 3.78Å; A635-V637 PolarHBondContact O-N 2.91Å; V637-A639 WeakPolarHBondContact CG2-O 3.39Å; V637-V640 HydrophobicContact CG2-CG2 4.16Å; V637-I668 HydrophobicContact CG2-CD1 4.37Å; V637-I668 HydrophobicContact CG2-CG2 4.1Å
638	H	98.6	Very high	96.4	Very high	50 Å²	50	31 Å²	31	23%	0.231	17%	0.169	C	C	.	.	S	Bend	trans	-82.9	-32.1	173.5	-55.8	88	0	0	0	111.1	F578 R584 Q585 R587 V669	F578-H638 AromaticContact CZ-CD2 3.99Å; F578-H638 AromaticContact CZ-NE2 3.97Å; R584-H638 VanDerWaalsContact CZ-CE1 3.42Å; R584-H638 PolarHBondContact NE-CE1 3.49Å; R584-H638 PolarHBondContact NE-NE2 2.91Å; R584-H638 VanDerWaalsContact NE-NE2 3.16Å; R584-H638 PolarHBondContact NH2-CE1 3.28Å; R584-H638 PolarHBondContact NH2-NE2 2.96Å; R584-H638 VanDerWaalsContact NH2-NE2 3.13Å; Q585-H638 PolarHBondContact O-CE1 3.33Å; R587-H638 PolarHBondContact N-ND1 2.86Å; R587-H638 PolarHBondContact O-N 2.93Å; H638-V669 PolarHBondContact O-N 3.33Å; H638-V669 VanDerWaalsContact O-N 3.09Å
639	A	98.6	Very high	96.2	Very high	18 Å²	18	31.3 Å²	31.3	15%	0.149	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150.5	-179.5	0	0	0	0	0	112.8	R587 I588 F589 V637 V669	R587-A639 PolarHBondContact O-N 2.99Å; I588-A639 WeakPolarHBondContact CA-O 3.48Å; I588-A639 HydrophobicContact CG1-CB 4.32Å; F589-A639 PolarHBondContact N-O 3.4Å; V637-A639 WeakPolarHBondContact CG2-O 3.39Å; A639-V669 CarbonylContact C-O 3.56Å; A639-V669 WeakPolarHBondContact CA-O 3.33Å; A639-V669 HydrophobicContact CB-CB 4.06Å; A639-V669 HydrophobicContact CB-CG1 4.5Å
640	V	98.7	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.4	164.9	-179.5	0	0	0	0	108.8	F589 A591 A632 V637 V642 L656 I668 V669 I671	F589-V640 HydrophobicContact CB-CG2 4.37Å; F589-V640 HydrophobicContact CD1-CG1 3.98Å; F589-V640 HydrophobicContact CD1-CG2 4.2Å; F589-V640 CarbonylContact O-C 3.59Å; F589-V640 WeakPolarHBondContact O-CA 3.49Å; A591-V640 HydrophobicContact CB-CG1 3.87Å; A632-V640 HydrophobicContact CB-CG2 3.52Å; V637-V640 HydrophobicContact CG2-CG2 4.16Å; V640-V642 HydrophobicContact CG1-CG2 4.18Å; V640-L656 HydrophobicContact CG1-CD2 3.95Å; V640-I668 HydrophobicContact CG2-CG2 3.84Å; V640-V669 PolarHBondContact N-O 3.16Å; V640-I671 PolarHBondContact O-N 2.78Å
641	G	98.2	Very high	95.6	Very high	7 Å²	7	30.2 Å²	30.2	7%	0.072	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105	170.5	0	0	0	0	0	111.1	F589 I590 A591	F589-G641 PolarHBondContact O-N 3.42Å; I590-G641 CarbonylContact C-O 3.57Å; I590-G641 WeakPolarHBondContact CA-O 3.5Å; A591-G641 PolarHBondContact N-O 3.28Å
642	V	98.2	Very high	95.5	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	115.9	176.2	-179.1	0	0	0	0	109.4	M593 V640 V653 L656 V670 I671 C672 G673	M593-V642 HydrophobicContact CE-CB 4.36Å; M593-V642 HydrophobicContact CE-CG1 3.57Å; M593-V642 HydrophobicContact CE-CG2 3.8Å; V640-V642 HydrophobicContact CG1-CG2 4.18Å; V642-V653 HydrophobicContact CG1-CG2 4.07Å; V642-L656 HydrophobicContact CG2-CD2 3.46Å; V642-L656 VanDerWaalsContact CG2-CD2 3.46Å; V642-V670 HydrophobicContact CG2-CG1 4.28Å; V642-I671 PolarHBondContact N-O 3.5Å; V642-C672 CarbonylContact O-C 3.58Å; V642-C672 WeakPolarHBondContact O-CA 3.36Å; V642-G673 PolarHBondContact O-N 2.86Å
643	S	97.4	Very high	95.5	Very high	14 Å²	14	27.8 Å²	27.8	10%	0.098	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.5	171	-177.5	0	0	0	0	109.7	A591 K592 L645 G673	A591-S643 PolarHBondContact O-N 3.01Å; K592-S643 WeakPolarHBondContact CD-O 3.46Å; K592-S643 WeakPolarHBondContact CE-O 3.36Å; K592-S643 PolarHBondContact NZ-O 3.4Å; S643-L645 WeakPolarHBondContact OG-CD1 3.44Å; S643-G673 CarbonylContact C-O 3.45Å; S643-G673 WeakPolarHBondContact CA-O 3.32Å
644	S	95	Very high	95.4	Very high	10 Å²	10	28 Å²	28	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.1	-176.3	-164.8	0	0	0	0	111.6	G673 G674 V675	S644-G673 PolarHBondContact N-O 3.4Å; S644-G674 CarbonylContact O-C 3.44Å; S644-G674 WeakPolarHBondContact O-CA 3.44Å; S644-V675 PolarHBondContact O-N 3.07Å
645	L	92	Very high	95.4	Very high	53 Å²	53	25.6 Å²	25.6	28%	0.277	15%	0.148	S	C	.	.			trans	-127.9	6	179.7	-70.7	87.7	0	0	0	112.6	D596 H598 S643 V675	D596-L645 PolarHBondContact OD2-N 3.5Å; H598-L645 HydrophobicContact CB-CB 3.9Å; H598-L645 HydrophobicContact CB-CD1 4.28Å; H598-L645 HydrophobicContact CB-CD2 3.92Å; H598-L645 HydrophobicContact CB-CG 4.25Å; S643-L645 WeakPolarHBondContact OG-CD1 3.44Å; L645-V675 HydrophobicContact CD2-CG2 4.4Å; L645-V675 HydrophobicContact CG-CG2 4.3Å
646	A	88.8	Confident	95.4	Very high	10 Å²	10	24.9 Å²	24.9	8%	0.083	14%	0.142	C	C	.	.	S	Bend	trans	-116.2	21.2	-178.5	0	0	0	0	0	113.5	L110 D596 G648	L110-A646 HydrophobicContact CD1-CB 3.6Å; D596-A646 HydrophobicContact CB-CB 3.7Å; A646-G648 PolarHBondContact O-N 3.34Å
647	A	87.8	Confident	95.4	Very high	42 Å²	42	23.7 Å²	23.7	35%	0.347	14%	0.135	S	C	.	.	S	Bend	trans	60.2	11.3	177.5	0	0	0	0	0	116.5	M129 H649	M129-A647 HydrophobicContact CE-CB 3.39Å; M129-A647 WeakPolarHBondContact CE-O 3.48Å; A647-H649 PolarHBondContact O-N 3.07Å
648	G	89	Confident	95.4	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	0.6	176.4	0	0	0	0	0	114.8	A646 K650 T651 L652	A646-G648 PolarHBondContact O-N 3.34Å; G648-K650 VanDerWaalsContact C-N 3.33Å; G648-K650 PolarHBondContact O-N 3.02Å; G648-T651 PolarHBondContact O-N 2.97Å; G648-T651 VanDerWaalsContact O-N 3.1Å; G648-L652 WeakPolarHBondContact O-CB 3.47Å; G648-L652 WeakPolarHBondContact O-CG 3.33Å; G648-L652 PolarHBondContact O-N 3.21Å
649	H	93.2	Very high	95.4	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.023	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-35.9	-170.8	50.7	-79.9	0	0	0	113.8	A647 T651 V653 P654 D680 L684	A647-H649 PolarHBondContact O-N 3.07Å; H649-T651 PolarHBondContact O-N 2.88Å; H649-V653 HydrophobicContact CB-CG2 4.27Å; H649-V653 VanDerWaalsContact O-CB 3.3Å; H649-V653 WeakPolarHBondContact O-CB 3.5Å; H649-V653 WeakPolarHBondContact O-CG2 3.4Å; H649-V653 PolarHBondContact O-N 3.29Å; H649-P654 WeakPolarHBondContact O-CD 3.49Å; H649-D680 IonicContact CD2-OD2 3.19Å; H649-D680 IonicContact CE1-OD2 3.62Å; H649-D680 IonicContact NE2-OD2 2.83Å; H649-D680 PolarHBondContact NE2-OD2 3.41Å; H649-L684 HydrophobicContact CB-CD2 4.49Å
650	K	92.2	Very high	95.4	Very high	83 Å²	83	27.1 Å²	27.1	36%	0.361	15%	0.147	S	C	.	.	H	α-helix	trans	-67.8	-18.8	179.1	-59.6	-171.9	80.3	146.7	0	114.1	G648 P654 D680 F683	G648-K650 VanDerWaalsContact C-N 3.33Å; G648-K650 PolarHBondContact O-N 3.02Å; K650-P654 WeakPolarHBondContact O-CG 3.49Å; K650-D680 WeakPolarHBondContact CD-OD1 3.4Å; K650-D680 WeakPolarHBondContact CE-OD1 3.27Å; K650-D680 IonicContact NZ-OD1 3.24Å; K650-D680 PolarHBondContact NZ-OD1 3.45Å; K650-F683 HydrophobicContact CB-CD1 4.42Å; K650-F683 HydrophobicContact CB-CE1 3.92Å; K650-F683 HydrophobicContact CB-CZ 4.48Å; K650-F683 HydrophobicContact CG-CD1 4.22Å; K650-F683 HydrophobicContact CG-CE1 4.23Å
651	T	92.7	Very high	95.4	Very high	35 Å²	35	34 Å²	34	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-103.9	-52.9	-179.1	-52.9	0	0	0	0	110.4	H124 G648 H649 E655	H124-T651 WeakPolarHBondContact NE2-CG2 3.32Å; G648-T651 PolarHBondContact O-N 2.97Å; G648-T651 VanDerWaalsContact O-N 3.1Å; H649-T651 PolarHBondContact O-N 2.88Å; T651-E655 WeakPolarHBondContact O-CG 3.44Å; T651-E655 PolarHBondContact O-N 3.07Å
652	L	95.5	Very high	95.4	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-77.3	-32.3	-168.5	-59	174.2	0	0	0	113.2	M593 P625 G648 L656	M593-L652 HydrophobicContact CB-CB 4.34Å; M593-L652 HydrophobicContact CB-CD1 4.11Å; M593-L652 HydrophobicContact CE-CB 4.06Å; P625-L652 HydrophobicContact CG-CB 4.24Å; P625-L652 HydrophobicContact CG-CD2 3.96Å; G648-L652 WeakPolarHBondContact O-CB 3.47Å; G648-L652 WeakPolarHBondContact O-CG 3.33Å; G648-L652 PolarHBondContact O-N 3.21Å; L652-L656 PolarHBondContact O-N 3.35Å
653	V	97.6	Very high	95.4	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-71.8	-47.1	-179	176.6	0	0	0	0	111.8	M593 V642 H649 E655 L656 I657 V670 L684 V689	M593-V653 HydrophobicContact CE-CG2 4.2Å; V642-V653 HydrophobicContact CG1-CG2 4.07Å; H649-V653 HydrophobicContact CB-CG2 4.27Å; H649-V653 VanDerWaalsContact O-CB 3.3Å; H649-V653 WeakPolarHBondContact O-CB 3.5Å; H649-V653 WeakPolarHBondContact O-CG2 3.4Å; H649-V653 PolarHBondContact O-N 3.29Å; V653-E655 VanDerWaalsContact C-N 3.25Å; V653-E655 PolarHBondContact O-N 3.44Å; V653-L656 WeakPolarHBondContact O-CB 3.4Å; V653-L656 PolarHBondContact O-N 3.36Å; V653-L656 VanDerWaalsContact O-N 3.14Å; V653-I657 HydrophobicContact CG1-CD1 4Å; V653-I657 WeakPolarHBondContact O-CG1 3.27Å; V653-I657 PolarHBondContact O-N 2.74Å; V653-V670 HydrophobicContact CG1-CG1 4.41Å; V653-L684 HydrophobicContact CB-CD2 4.18Å; V653-L684 HydrophobicContact CG1-CD2 4.27Å; V653-V689 HydrophobicContact CG1-CG2 3.47Å; V653-V689 VanDerWaalsContact CG1-CG2 3.47Å
654	P	97.2	Very high	95.4	Very high	35 Å²	35	44.3 Å²	44.3	23%	0.227	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-37.7	172.7	-27	36.4	0	0	0	113	H649 K650 I657 K658 F683	H649-P654 WeakPolarHBondContact O-CD 3.49Å; K650-P654 WeakPolarHBondContact O-CG 3.49Å; P654-I657 PolarHBondContact O-N 3.22Å; P654-K658 WeakPolarHBondContact O-CB 3.28Å; P654-K658 PolarHBondContact O-N 3.13Å; P654-F683 HydrophobicContact CG-CE1 3.95Å; P654-F683 HydrophobicContact CG-CZ 4.07Å
655	E	97.4	Very high	95.6	Very high	80 Å²	80	46.1 Å²	46.1	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-38.3	175.5	-75.1	-172.5	173.1	0	0	113	H124 P625 T651 V653 K658 A659	H124-E655 IonicContact CE1-OE1 3.47Å; H124-E655 IonicContact CE1-OE2 3.93Å; H124-E655 PolarHBondContact CE1-OE2 2.79Å; H124-E655 IonicContact NE2-OE1 2.87Å; H124-E655 PolarHBondContact NE2-OE1 3.48Å; H124-E655 IonicContact NE2-OE2 3.84Å; P625-E655 HydrophobicContact CB-CB 3.8Å; P625-E655 HydrophobicContact CG-CB 3.83Å; T651-E655 WeakPolarHBondContact O-CG 3.44Å; T651-E655 PolarHBondContact O-N 3.07Å; V653-E655 VanDerWaalsContact C-N 3.25Å; V653-E655 PolarHBondContact O-N 3.44Å; E655-K658 PolarHBondContact O-N 3.29Å; E655-A659 VanDerWaalsContact O-CB 3.3Å; E655-A659 WeakPolarHBondContact O-CB 3.32Å; E655-A659 PolarHBondContact O-N 3.02Å
656	L	98.3	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-48.6	175.1	174.2	69.3	0	0	0	110.9	M593 P625 A628 A629 V640 V642 L652 V653 K658 A659 L660 V670	M593-L656 HydrophobicContact CE-CB 4.03Å; M593-L656 HydrophobicContact CE-CD2 3.89Å; M593-L656 HydrophobicContact SD-CB 3.83Å; M593-L656 HydrophobicContact SD-CD1 4.13Å; M593-L656 HydrophobicContact SD-CD2 4.01Å; M593-L656 HydrophobicContact SD-CG 4.2Å; P625-L656 HydrophobicContact CB-CB 4.11Å; P625-L656 WeakPolarHBondContact O-CD1 3.38Å; A628-L656 HydrophobicContact CB-CD1 4.01Å; A629-L656 HydrophobicContact CB-CD1 3.99Å; V640-L656 HydrophobicContact CG1-CD2 3.95Å; V642-L656 HydrophobicContact CG2-CD2 3.46Å; V642-L656 VanDerWaalsContact CG2-CD2 3.46Å; L652-L656 PolarHBondContact O-N 3.35Å; V653-L656 WeakPolarHBondContact O-CB 3.4Å; V653-L656 PolarHBondContact O-N 3.36Å; V653-L656 VanDerWaalsContact O-N 3.14Å; L656-K658 VanDerWaalsContact C-N 3.3Å; L656-K658 PolarHBondContact O-N 3.22Å; L656-A659 PolarHBondContact O-N 2.6Å; L656-A659 VanDerWaalsContact O-N 3.12Å; L656-L660 HydrophobicContact CG-CD1 4.31Å; L656-L660 WeakPolarHBondContact O-CG 3.46Å; L656-L660 PolarHBondContact O-N 3.07Å; L656-V670 HydrophobicContact CD2-CG1 4.31Å
657	I	98.5	Very high	96.2	Very high	37 Å²	37	52.3 Å²	52.3	19%	0.19	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-42.8	-179.7	-67.6	168.8	0	0	0	110.2	V653 P654 L660 K661 V670 S687 V689	V653-I657 HydrophobicContact CG1-CD1 4Å; V653-I657 WeakPolarHBondContact O-CG1 3.27Å; V653-I657 PolarHBondContact O-N 2.74Å; P654-I657 PolarHBondContact O-N 3.22Å; I657-L660 PolarHBondContact O-N 3.48Å; I657-K661 PolarHBondContact O-N 3.17Å; I657-V670 HydrophobicContact CD1-CB 4.46Å; I657-V670 HydrophobicContact CD1-CG1 4.44Å; I657-V670 HydrophobicContact CG1-CB 4.24Å; I657-V670 HydrophobicContact CG1-CG1 4.31Å; I657-V670 HydrophobicContact CG1-CG2 3.93Å; I657-S687 WeakPolarHBondContact CD1-O 2.99Å; I657-V689 HydrophobicContact CD1-CG2 4.12Å
658	K	98.4	Very high	96.8	Very high	130 Å²	130	50.8 Å²	50.8	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-60.9	-45.7	173.1	-173.9	-170.5	169.9	-155.5	0	111.4	P654 E655 L656 L660 K661 D662	P654-K658 WeakPolarHBondContact O-CB 3.28Å; P654-K658 PolarHBondContact O-N 3.13Å; E655-K658 PolarHBondContact O-N 3.29Å; L656-K658 VanDerWaalsContact C-N 3.3Å; L656-K658 PolarHBondContact O-N 3.22Å; K658-L660 PolarHBondContact O-N 3.34Å; K658-K661 WeakPolarHBondContact O-CB 3.47Å; K658-K661 PolarHBondContact O-N 3.38Å; K658-D662 WeakPolarHBondContact O-CB 3.41Å; K658-D662 VanDerWaalsContact O-CG 3.26Å; K658-D662 PolarHBondContact O-N 2.84Å
659	A	98.4	Very high	97.2	Very high	7 Å²	7	53.6 Å²	53.6	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-38.5	179.2	0	0	0	0	0	112.7	V626 A629 E655 L656 D662 L663	V626-A659 HydrophobicContact CG2-CB 4.3Å; A629-A659 HydrophobicContact CB-CB 3.56Å; E655-A659 VanDerWaalsContact O-CB 3.3Å; E655-A659 WeakPolarHBondContact O-CB 3.32Å; E655-A659 PolarHBondContact O-N 3.02Å; L656-A659 PolarHBondContact O-N 2.6Å; L656-A659 VanDerWaalsContact O-N 3.12Å; A659-D662 PolarHBondContact O-N 3.48Å; A659-L663 WeakPolarHBondContact O-CB 3.46Å; A659-L663 VanDerWaalsContact O-CG 3.31Å; A659-L663 WeakPolarHBondContact O-CG 3.46Å; A659-L663 PolarHBondContact O-N 3.34Å
660	L	98.7	Very high	97.5	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-43.4	172.5	-73.6	170.2	0	0	0	111.6	A629 A632 V633 L656 I657 K658 L663 G664 R665 I668 V670	A629-L660 HydrophobicContact CB-CD2 3.99Å; A629-L660 HydrophobicContact CB-CG 4.05Å; A632-L660 HydrophobicContact CB-CD2 4.32Å; V633-L660 HydrophobicContact CG2-CD2 4.08Å; L656-L660 HydrophobicContact CG-CD1 4.31Å; L656-L660 WeakPolarHBondContact O-CG 3.46Å; L656-L660 PolarHBondContact O-N 3.07Å; I657-L660 PolarHBondContact O-N 3.48Å; K658-L660 PolarHBondContact O-N 3.34Å; L660-L663 CarbonylContact O-C 3.58Å; L660-L663 PolarHBondContact O-N 3.03Å; L660-G664 PolarHBondContact O-N 3.34Å; L660-R665 CarbonylContact O-C 3.58Å; L660-R665 PolarHBondContact O-N 2.7Å; L660-I668 HydrophobicContact CD1-CG2 4.42Å; L660-I668 HydrophobicContact CD2-CD1 4.12Å; L660-V670 HydrophobicContact CD1-CG2 3.68Å
661	K	98.3	Very high	97.8	Very high	146 Å²	146	50.9 Å²	50.9	64%	0.635	28%	0.28	S	S	*	.	H	α-helix	trans	-63	-44.1	174.7	-179.5	178.7	178.6	178.4	0	112.1	I657 K658 L663 G664	I657-K661 PolarHBondContact O-N 3.17Å; K658-K661 WeakPolarHBondContact O-CB 3.47Å; K658-K661 PolarHBondContact O-N 3.38Å; K661-L663 PolarHBondContact O-N 3.15Å; K661-G664 PolarHBondContact O-N 3.43Å
662	D	98.4	Very high	98	Very high	115 Å²	115	49.3 Å²	49.3	62%	0.615	27%	0.27	S	S	*	.	H	α-helix	trans	-64.5	-27.7	178.8	-69.4	-14.6	0	0	0	111.8	K658 A659 G664	K658-D662 WeakPolarHBondContact O-CB 3.41Å; K658-D662 VanDerWaalsContact O-CG 3.26Å; K658-D662 PolarHBondContact O-N 2.84Å; A659-D662 PolarHBondContact O-N 3.48Å; D662-G664 VanDerWaalsContact C-N 3.32Å
663	L	98.4	Very high	98	Very high	67 Å²	67	49.5 Å²	49.5	35%	0.351	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	3	172.1	-67.5	171.6	0	0	0	114	A629 R630 V633 A659 L660 K661	A629-L663 HydrophobicContact CB-CD1 3.95Å; R630-L663 HydrophobicContact CB-CD1 4.25Å; V633-L663 HydrophobicContact CG2-CB 4.13Å; V633-L663 HydrophobicContact CG2-CD1 4.09Å; A659-L663 WeakPolarHBondContact O-CB 3.46Å; A659-L663 VanDerWaalsContact O-CG 3.31Å; A659-L663 WeakPolarHBondContact O-CG 3.46Å; A659-L663 PolarHBondContact O-N 3.34Å; L660-L663 CarbonylContact O-C 3.58Å; L660-L663 PolarHBondContact O-N 3.03Å; K661-L663 PolarHBondContact O-N 3.15Å
664	G	98.2	Very high	97.8	Very high	60 Å²	60	50.2 Å²	50.2	62%	0.619	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	17.8	177.2	0	0	0	0	0	115.2	L660 K661 D662	L660-G664 PolarHBondContact O-N 3.34Å; K661-G664 PolarHBondContact O-N 3.43Å; D662-G664 VanDerWaalsContact C-N 3.32Å
665	R	98.2	Very high	97.5	Very high	48 Å²	48	50.4 Å²	50.4	18%	0.181	28%	0.283	C	S	.	.			trans	-122.3	50	-178.3	-70.6	-60.5	-54.3	-88.2	5.2	112.5	V633 D636 L660 D667 I668	V633-R665 HydrophobicContact CB-CG 4.36Å; V633-R665 HydrophobicContact CG1-CG 3.88Å; V633-R665 HydrophobicContact CG2-CB 3.7Å; V633-R665 HydrophobicContact CG2-CG 3.69Å; D636-R665 IonicContact OD1-CZ 3.38Å; D636-R665 IonicContact OD1-NH1 3.89Å; D636-R665 PolarHBondContact OD1-NH1 3.03Å; D636-R665 IonicContact OD1-NH2 3.47Å; D636-R665 PolarHBondContact OD1-NH2 2.69Å; L660-R665 CarbonylContact O-C 3.58Å; L660-R665 PolarHBondContact O-N 2.7Å; R665-D667 VanDerWaalsContact C-OD1 3.25Å; R665-D667 WeakPolarHBondContact CA-OD1 3.35Å; R665-D667 WeakPolarHBondContact CD-OD1 3.27Å; R665-D667 IonicContact CZ-OD1 2.85Å; R665-D667 IonicContact CZ-OD2 3.35Å; R665-D667 IonicContact NE-OD1 3.22Å; R665-D667 PolarHBondContact NE-OD1 2.62Å; R665-D667 IonicContact NE-OD2 3.86Å; R665-D667 PolarHBondContact NE-OD2 3.15Å; R665-D667 IonicContact NH2-OD1 3.02Å; R665-D667 IonicContact NH2-OD2 3.03Å; R665-D667 PolarHBondContact NH2-OD2 3.1Å; R665-D667 PolarHBondContact O-N 3Å; R665-I668 HydrophobicContact CB-CD1 3.83Å; R665-I668 HydrophobicContact CB-CG1 4.12Å; R665-I668 HydrophobicContact CG-CD1 4.39Å; R665-I668 PolarHBondContact O-N 3.21Å
666	S	97	Very high	97.1	Very high	95 Å²	95	46.8 Å²	46.8	66%	0.664	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-5.8	174.8	60.2	0	0	0	0	113.7
667	D	97.9	Very high	96.5	Very high	98 Å²	98	47.5 Å²	47.5	52%	0.524	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.9	173.2	61.5	-63.6	0	0	0	113.1	R665 V669	R665-D667 VanDerWaalsContact C-OD1 3.25Å; R665-D667 WeakPolarHBondContact CA-OD1 3.35Å; R665-D667 WeakPolarHBondContact CD-OD1 3.27Å; R665-D667 IonicContact CZ-OD1 2.85Å; R665-D667 IonicContact CZ-OD2 3.35Å; R665-D667 IonicContact NE-OD1 3.22Å; R665-D667 PolarHBondContact NE-OD1 2.62Å; R665-D667 IonicContact NE-OD2 3.86Å; R665-D667 PolarHBondContact NE-OD2 3.15Å; R665-D667 IonicContact NH2-OD1 3.02Å; R665-D667 IonicContact NH2-OD2 3.03Å; R665-D667 PolarHBondContact NH2-OD2 3.1Å; R665-D667 PolarHBondContact O-N 3Å; D667-V669 PolarHBondContact O-N 3.28Å
668	I	98.6	Very high	95.8	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.046	28%	0.281	C	S	.	.	S	Bend	trans	-67	122.4	179.6	-64.7	-179.7	0	0	0	109.4	V633 V637 V640 L660 R665	V633-I668 HydrophobicContact CG2-CD1 4.2Å; V637-I668 HydrophobicContact CG2-CD1 4.37Å; V637-I668 HydrophobicContact CG2-CG2 4.1Å; V640-I668 HydrophobicContact CG2-CG2 3.84Å; L660-I668 HydrophobicContact CD1-CG2 4.42Å; L660-I668 HydrophobicContact CD2-CD1 4.12Å; R665-I668 HydrophobicContact CB-CD1 3.83Å; R665-I668 HydrophobicContact CB-CG1 4.12Å; R665-I668 HydrophobicContact CG-CD1 4.39Å; R665-I668 PolarHBondContact O-N 3.21Å
669	V	98.6	Very high	95.2	Very high	62 Å²	62	47 Å²	47	38%	0.376	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	133.8	-179.1	176.3	0	0	0	0	110	H638 A639 V640 D667 I671	H638-V669 PolarHBondContact O-N 3.33Å; H638-V669 VanDerWaalsContact O-N 3.09Å; A639-V669 CarbonylContact C-O 3.56Å; A639-V669 WeakPolarHBondContact CA-O 3.33Å; A639-V669 HydrophobicContact CB-CB 4.06Å; A639-V669 HydrophobicContact CB-CG1 4.5Å; V640-V669 PolarHBondContact N-O 3.16Å; D667-V669 PolarHBondContact O-N 3.28Å; V669-I671 HydrophobicContact CG1-CG2 4.16Å
670	V	98.8	Very high	94.9	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123	173.3	-179.1	0	0	0	0	109.6	V642 V653 L656 I657 L660 V689 S690	V642-V670 HydrophobicContact CG2-CG1 4.28Å; V653-V670 HydrophobicContact CG1-CG1 4.41Å; L656-V670 HydrophobicContact CD2-CG1 4.31Å; I657-V670 HydrophobicContact CD1-CB 4.46Å; I657-V670 HydrophobicContact CD1-CG1 4.44Å; I657-V670 HydrophobicContact CG1-CB 4.24Å; I657-V670 HydrophobicContact CG1-CG1 4.31Å; I657-V670 HydrophobicContact CG1-CG2 3.93Å; L660-V670 HydrophobicContact CD1-CG2 3.68Å; V670-V689 HydrophobicContact CG1-CG2 4.47Å; V670-S690 PolarHBondContact O-N 2.66Å
671	I	98	Very high	94.6	Very high	27 Å²	27	49.3 Å²	49.3	14%	0.138	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.8	170.7	63.9	179.9	0	0	0	109.5	I588 V640 V642 V669 C691 F693	I588-I671 HydrophobicContact CD1-CD1 4.02Å; V640-I671 PolarHBondContact O-N 2.78Å; V642-I671 PolarHBondContact N-O 3.5Å; V669-I671 HydrophobicContact CG1-CG2 4.16Å; I671-C691 WeakPolarHBondContact CA-O 3.5Å; I671-C691 HydrophobicContact CG2-CB 3.99Å; I671-F693 HydrophobicContact CB-CD2 4.44Å; I671-F693 HydrophobicContact CB-CE2 4.03Å; I671-F693 HydrophobicContact CD1-CD2 4.37Å; I671-F693 HydrophobicContact CD1-CE2 3.84Å; I671-F693 HydrophobicContact CG1-CE2 4.38Å; I671-F693 HydrophobicContact CG2-CE2 4.29Å
672	C	97.9	Very high	94.4	Very high	2 Å²	2	48 Å²	48	1%	0.014	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.5	178.1	-69	0	0	0	0	110.7	V642 I676 V689 C691 I692 F693	V642-C672 CarbonylContact O-C 3.58Å; V642-C672 WeakPolarHBondContact O-CA 3.36Å; C672-I676 HydrophobicContact CB-CD1 3.64Å; C672-V689 HydrophobicContact CB-CG1 4.16Å; C672-C691 PolarHBondContact N-O 3.29Å; C672-I692 HydrophobicContact CB-CG1 4.5Å; C672-I692 CarbonylContact O-C 3.49Å; C672-I692 VanDerWaalsContact O-CA 3.28Å; C672-I692 WeakPolarHBondContact O-CA 3.35Å; C672-F693 PolarHBondContact O-N 3.37Å
673	G	95.6	Very high	94.3	Very high	13 Å²	13	46 Å²	46	13%	0.134	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	169.1	168.4	0	0	0	0	0	112.2	V642 S643 S644 F693	V642-G673 PolarHBondContact O-N 2.86Å; S643-G673 CarbonylContact C-O 3.45Å; S643-G673 WeakPolarHBondContact CA-O 3.32Å; S644-G673 PolarHBondContact N-O 3.4Å; G673-F693 WeakPolarHBondContact CA-O 3.23Å
674	G	92.5	Very high	94.3	Very high	17 Å²	17	42.9 Å²	42.9	18%	0.175	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	106.6	-158.5	-172.5	0	0	0	0	0	112	S644 I676 F693 P695	S644-G674 CarbonylContact O-C 3.44Å; S644-G674 WeakPolarHBondContact O-CA 3.44Å; G674-I676 PolarHBondContact O-N 3.27Å; G674-F693 PolarHBondContact N-O 2.98Å; G674-F693 VanDerWaalsContact N-O 3.14Å; G674-P695 WeakPolarHBondContact O-CD 3.4Å
675	V	90.4	Very high	94.3	Very high	39 Å²	39	44.6 Å²	44.6	24%	0.236	24%	0.241	C	C	.	.	S	Bend	trans	-81.3	89.9	-173.6	-176	0	0	0	0	109.4	S644 L645 P695	S644-V675 PolarHBondContact O-N 3.07Å; L645-V675 HydrophobicContact CD2-CG2 4.4Å; L645-V675 HydrophobicContact CG-CG2 4.3Å; V675-P695 HydrophobicContact CG2-CG 4.33Å
676	I	89.5	Confident	94.2	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.015	27%	0.27	C	S	.	.			trans	-118.8	115.2	178.3	-59.5	170.7	0	0	0	106.7	C672 G674 D680 Y681 L684 I692	C672-I676 HydrophobicContact CB-CD1 3.64Å; G674-I676 PolarHBondContact O-N 3.27Å; I676-D680 HydrophobicContact CG2-CB 4.37Å; I676-Y681 HydrophobicContact CB-CE1 4.04Å; I676-Y681 HydrophobicContact CG2-CD1 3.82Å; I676-Y681 HydrophobicContact CG2-CE1 3.64Å; I676-Y681 WeakPolarHBondContact O-CE1 3.37Å; I676-L684 HydrophobicContact CD1-CD1 4.19Å; I676-L684 HydrophobicContact CG2-CD1 3.67Å; I676-I692 HydrophobicContact CB-CG2 4.4Å; I676-I692 HydrophobicContact CD1-CG2 3.91Å; I676-I692 HydrophobicContact CG2-CG2 4.43Å
677	P	85.5	Confident	94.2	Very high	15 Å²	15	47.3 Å²	47.3	10%	0.097	25%	0.249	C	C	.	.			trans	-60.9	138.2	177.3	-22.9	33.5	0	0	0	111	V474 Q679 D680 Y681	V474-P677 HydrophobicContact CG1-CG 4.44Å; P677-Q679 VanDerWaalsContact CB-CD 3.42Å; P677-Q679 HydrophobicContact CB-CG 4.24Å; P677-Q679 VanDerWaalsContact CB-NE2 3.34Å; P677-Q679 PolarHBondContact O-N 3.14Å; P677-Q679 VanDerWaalsContact O-N 3.1Å; P677-D680 PolarHBondContact O-N 3.28Å; P677-Y681 WeakPolarHBondContact O-CD1 3.47Å
678	P	84.3	Confident	94.2	Very high	63 Å²	63	44.6 Å²	44.6	41%	0.409	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-53.2	-34.2	-178.9	-30.7	36.7	0	0	0	114.4	D680 Y681	P678-D680 PolarHBondContact O-N 3.15Å; P678-D680 VanDerWaalsContact O-N 3.16Å; P678-Y681 WeakPolarHBondContact O-CB 3.46Å; P678-Y681 WeakPolarHBondContact O-CD1 3.47Å; P678-Y681 PolarHBondContact O-N 3.49Å; P678-Y681 VanDerWaalsContact O-N 3.12Å
679	Q	86.4	Confident	94.2	Very high	93 Å²	93	44.5 Å²	44.5	44%	0.435	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-65.5	-14.2	177.5	64.8	-90.7	22.3	0	0	114.8	P677	P677-Q679 VanDerWaalsContact CB-CD 3.42Å; P677-Q679 HydrophobicContact CB-CG 4.24Å; P677-Q679 VanDerWaalsContact CB-NE2 3.34Å; P677-Q679 PolarHBondContact O-N 3.14Å; P677-Q679 VanDerWaalsContact O-N 3.1Å
680	D	90.7	Very high	94.1	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.064	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-93.2	-3.3	176.4	-71.8	-30.2	0	0	0	112.9	H649 K650 I676 P677 P678 F683 L684	H649-D680 IonicContact CD2-OD2 3.19Å; H649-D680 IonicContact CE1-OD2 3.62Å; H649-D680 IonicContact NE2-OD2 2.83Å; H649-D680 PolarHBondContact NE2-OD2 3.41Å; K650-D680 WeakPolarHBondContact CD-OD1 3.4Å; K650-D680 WeakPolarHBondContact CE-OD1 3.27Å; K650-D680 IonicContact NZ-OD1 3.24Å; K650-D680 PolarHBondContact NZ-OD1 3.45Å; I676-D680 HydrophobicContact CG2-CB 4.37Å; P677-D680 PolarHBondContact O-N 3.28Å; P678-D680 PolarHBondContact O-N 3.15Å; P678-D680 VanDerWaalsContact O-N 3.16Å; D680-F683 PolarHBondContact O-N 2.9Å; D680-L684 WeakPolarHBondContact O-CG 3.38Å; D680-L684 PolarHBondContact O-N 3.11Å; D680-L684 VanDerWaalsContact O-N 3.16Å
681	Y	92.4	Very high	94	Very high	47 Å²	47	47.1 Å²	47.1	18%	0.184	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-49.4	-172.7	-79.4	29.3	0	0	0	111.7	I676 P677 P678 F683 L684 Y685 I692	I676-Y681 HydrophobicContact CB-CE1 4.04Å; I676-Y681 HydrophobicContact CG2-CD1 3.82Å; I676-Y681 HydrophobicContact CG2-CE1 3.64Å; I676-Y681 WeakPolarHBondContact O-CE1 3.37Å; P677-Y681 WeakPolarHBondContact O-CD1 3.47Å; P678-Y681 WeakPolarHBondContact O-CB 3.46Å; P678-Y681 WeakPolarHBondContact O-CD1 3.47Å; P678-Y681 PolarHBondContact O-N 3.49Å; P678-Y681 VanDerWaalsContact O-N 3.12Å; Y681-F683 VanDerWaalsContact C-N 3.29Å; Y681-F683 PolarHBondContact O-N 3.07Å; Y681-L684 PolarHBondContact O-N 3.37Å; Y681-Y685 HydrophobicContact CD2-CE2 4.42Å; Y681-Y685 WeakPolarHBondContact O-CD2 3.17Å; Y681-Y685 PolarHBondContact O-N 2.94Å; Y681-I692 HydrophobicContact CD1-CD1 3.78Å; Y681-I692 HydrophobicContact CD1-CG2 4.2Å; Y681-I692 HydrophobicContact CD2-CB 4.28Å; Y681-I692 HydrophobicContact CD2-CD1 3.86Å; Y681-I692 HydrophobicContact CD2-CG2 4.35Å; Y681-I692 HydrophobicContact CE1-CD1 4.36Å; Y681-I692 HydrophobicContact CE1-CG2 3.69Å; Y681-I692 HydrophobicContact CE2-CB 4.06Å; Y681-I692 HydrophobicContact CE2-CD1 4.42Å; Y681-I692 HydrophobicContact CE2-CG2 3.85Å; Y681-I692 HydrophobicContact CG-CD1 3.51Å
682	D	95.5	Very high	93.9	Very high	118 Å²	118	46.4 Å²	46.4	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-57.5	-43.1	179.7	-69.5	-18	0	0	0	111.4	L684 Y685 E686	D682-L684 VanDerWaalsContact C-N 3.33Å; D682-L684 PolarHBondContact O-N 2.8Å; D682-Y685 PolarHBondContact O-N 3.34Å; D682-E686 WeakPolarHBondContact O-CB 3.35Å; D682-E686 VanDerWaalsContact O-CG 3.31Å; D682-E686 WeakPolarHBondContact O-CG 3.36Å; D682-E686 PolarHBondContact O-N 3.34Å
683	F	96.2	Very high	93.7	Very high	75 Å²	75	48.5 Å²	48.5	33%	0.329	27%	0.27	S	S	.	.	H	α-helix	trans	-59.3	-42.4	175.7	172	-89.9	0	0	0	112.4	K650 P654 D680 Y681 S687	K650-F683 HydrophobicContact CB-CD1 4.42Å; K650-F683 HydrophobicContact CB-CE1 3.92Å; K650-F683 HydrophobicContact CB-CZ 4.48Å; K650-F683 HydrophobicContact CG-CD1 4.22Å; K650-F683 HydrophobicContact CG-CE1 4.23Å; P654-F683 HydrophobicContact CG-CE1 3.95Å; P654-F683 HydrophobicContact CG-CZ 4.07Å; D680-F683 PolarHBondContact O-N 2.9Å; Y681-F683 VanDerWaalsContact C-N 3.29Å; Y681-F683 PolarHBondContact O-N 3.07Å; F683-S687 WeakPolarHBondContact O-CB 3.27Å; F683-S687 PolarHBondContact O-N 2.85Å; F683-S687 PolarHBondContact O-OG 3.23Å
684	L	97.4	Very high	93.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.2	-40.6	178.8	-71.4	177.5	0	0	0	111.6	H649 V653 I676 D680 Y681 D682 S687 G688 V689 I692	H649-L684 HydrophobicContact CB-CD2 4.49Å; V653-L684 HydrophobicContact CB-CD2 4.18Å; V653-L684 HydrophobicContact CG1-CD2 4.27Å; I676-L684 HydrophobicContact CD1-CD1 4.19Å; I676-L684 HydrophobicContact CG2-CD1 3.67Å; D680-L684 WeakPolarHBondContact O-CG 3.38Å; D680-L684 PolarHBondContact O-N 3.11Å; D680-L684 VanDerWaalsContact O-N 3.16Å; Y681-L684 PolarHBondContact O-N 3.37Å; D682-L684 VanDerWaalsContact C-N 3.33Å; D682-L684 PolarHBondContact O-N 2.8Å; L684-S687 WeakPolarHBondContact O-CB 3.45Å; L684-S687 PolarHBondContact O-N 3.33Å; L684-G688 PolarHBondContact O-N 2.83Å; L684-V689 HydrophobicContact CB-CB 4.22Å; L684-V689 HydrophobicContact CB-CG2 4Å; L684-V689 HydrophobicContact CD2-CG2 4.45Å; L684-V689 VanDerWaalsContact O-CB 3.28Å; L684-V689 WeakPolarHBondContact O-CB 3.47Å; L684-V689 WeakPolarHBondContact O-CG2 3.28Å; L684-V689 PolarHBondContact O-N 3.44Å; L684-I692 HydrophobicContact CB-CD1 4.01Å; L684-I692 HydrophobicContact CD1-CD1 3.98Å
685	Y	98.2	Very high	92.8	Very high	97 Å²	97	49.4 Å²	49.4	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-46.6	174.3	-66.8	-51.5	0	0	0	111.7	Y681 D682 S687 G688 V689 I692	Y681-Y685 HydrophobicContact CD2-CE2 4.42Å; Y681-Y685 WeakPolarHBondContact O-CD2 3.17Å; Y681-Y685 PolarHBondContact O-N 2.94Å; D682-Y685 PolarHBondContact O-N 3.34Å; Y685-S687 PolarHBondContact O-N 3.33Å; Y685-G688 PolarHBondContact O-N 3.48Å; Y685-V689 WeakPolarHBondContact CD1-O 3.49Å; Y685-I692 HydrophobicContact CE1-CD1 4.05Å; Y685-I692 HydrophobicContact CE1-CG1 4.04Å; Y685-I692 HydrophobicContact CE2-CD1 4.05Å
686	E	97.7	Very high	92.3	Very high	168 Å²	168	49.4 Å²	49.4	79%	0.785	28%	0.28	S	S	*	.	H	α-helix	trans	-61.3	-30	175.2	-72.9	177.2	177.8	0	0	112.6	D682 G688	D682-E686 WeakPolarHBondContact O-CB 3.35Å; D682-E686 VanDerWaalsContact O-CG 3.31Å; D682-E686 WeakPolarHBondContact O-CG 3.36Å; D682-E686 PolarHBondContact O-N 3.34Å; E686-G688 VanDerWaalsContact C-N 3.27Å; E686-G688 PolarHBondContact O-N 3.32Å
687	S	96.6	Very high	91.9	Very high	32 Å²	32	55.7 Å²	55.7	22%	0.224	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-11.2	175.4	-60.6	0	0	0	0	113.8	I657 F683 L684 Y685	I657-S687 WeakPolarHBondContact CD1-O 2.99Å; F683-S687 WeakPolarHBondContact O-CB 3.27Å; F683-S687 PolarHBondContact O-N 2.85Å; F683-S687 PolarHBondContact O-OG 3.23Å; L684-S687 WeakPolarHBondContact O-CB 3.45Å; L684-S687 PolarHBondContact O-N 3.33Å; Y685-S687 PolarHBondContact O-N 3.33Å
688	G	97.4	Very high	91.7	Very high	41 Å²	41	57.9 Å²	57.9	42%	0.423	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.6	8.8	177.3	0	0	0	0	0	115.6	L684 Y685 E686	L684-G688 PolarHBondContact O-N 2.83Å; Y685-G688 PolarHBondContact O-N 3.48Å; E686-G688 VanDerWaalsContact C-N 3.27Å; E686-G688 PolarHBondContact O-N 3.32Å
689	V	98.3	Very high	91.5	Very high	7 Å²	7	57.2 Å²	57.2	4%	0.042	31%	0.306	C	S	.	.			trans	-69.6	137.5	172.2	177.9	0	0	0	0	109.6	V653 I657 V670 C672 L684 Y685 C691 I692	V653-V689 HydrophobicContact CG1-CG2 3.47Å; V653-V689 VanDerWaalsContact CG1-CG2 3.47Å; I657-V689 HydrophobicContact CD1-CG2 4.12Å; V670-V689 HydrophobicContact CG1-CG2 4.47Å; C672-V689 HydrophobicContact CB-CG1 4.16Å; L684-V689 HydrophobicContact CB-CB 4.22Å; L684-V689 HydrophobicContact CB-CG2 4Å; L684-V689 HydrophobicContact CD2-CG2 4.45Å; L684-V689 VanDerWaalsContact O-CB 3.28Å; L684-V689 WeakPolarHBondContact O-CB 3.47Å; L684-V689 WeakPolarHBondContact O-CG2 3.28Å; L684-V689 PolarHBondContact O-N 3.44Å; Y685-V689 WeakPolarHBondContact CD1-O 3.49Å; V689-C691 VanDerWaalsContact CG1-O 3.24Å; V689-C691 WeakPolarHBondContact CG1-O 3.48Å; V689-I692 HydrophobicContact CG1-CG1 4.08Å
690	S	97.8	Very high	91.8	Very high	76 Å²	76	55.4 Å²	55.4	53%	0.531	30%	0.3	S	S	.	.			trans	-92.2	-30.7	-177.9	-60.7	0	0	0	0	113.8	V670	V670-S690 PolarHBondContact O-N 2.66Å
691	C	96.2	Very high	91.9	Very high	44 Å²	44	57.7 Å²	57.7	30%	0.297	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	153.1	178.6	-162.3	0	0	0	0	111.2	I671 C672 V689 F693	I671-C691 WeakPolarHBondContact CA-O 3.5Å; I671-C691 HydrophobicContact CG2-CB 3.99Å; C672-C691 PolarHBondContact N-O 3.29Å; V689-C691 VanDerWaalsContact CG1-O 3.24Å; V689-C691 WeakPolarHBondContact CG1-O 3.48Å; C691-F693 HydrophobicContact CB-CE2 3.87Å; C691-F693 HydrophobicContact CB-CZ 3.98Å; C691-F693 WeakPolarHBondContact SG-CZ 3.35Å
692	I	95.2	Very high	91.8	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.7	178.8	-57.9	170.8	0	0	0	109.3	C672 I676 Y681 L684 Y685 V689	C672-I692 HydrophobicContact CB-CG1 4.5Å; C672-I692 CarbonylContact O-C 3.49Å; C672-I692 VanDerWaalsContact O-CA 3.28Å; C672-I692 WeakPolarHBondContact O-CA 3.35Å; I676-I692 HydrophobicContact CB-CG2 4.4Å; I676-I692 HydrophobicContact CD1-CG2 3.91Å; I676-I692 HydrophobicContact CG2-CG2 4.43Å; Y681-I692 HydrophobicContact CD1-CD1 3.78Å; Y681-I692 HydrophobicContact CD1-CG2 4.2Å; Y681-I692 HydrophobicContact CD2-CB 4.28Å; Y681-I692 HydrophobicContact CD2-CD1 3.86Å; Y681-I692 HydrophobicContact CD2-CG2 4.35Å; Y681-I692 HydrophobicContact CE1-CD1 4.36Å; Y681-I692 HydrophobicContact CE1-CG2 3.69Å; Y681-I692 HydrophobicContact CE2-CB 4.06Å; Y681-I692 HydrophobicContact CE2-CD1 4.42Å; Y681-I692 HydrophobicContact CE2-CG2 3.85Å; Y681-I692 HydrophobicContact CG-CD1 3.51Å; L684-I692 HydrophobicContact CB-CD1 4.01Å; L684-I692 HydrophobicContact CD1-CD1 3.98Å; Y685-I692 HydrophobicContact CE1-CD1 4.05Å; Y685-I692 HydrophobicContact CE1-CG1 4.04Å; Y685-I692 HydrophobicContact CE2-CD1 4.05Å; V689-I692 HydrophobicContact CG1-CG1 4.08Å
693	F	93.5	Very high	91.6	Very high	46 Å²	46	54.8 Å²	54.8	20%	0.202	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	88.8	-177.5	-59.5	-74.4	0	0	0	110.4	I671 C672 G673 G674 C691 W697	I671-F693 HydrophobicContact CB-CD2 4.44Å; I671-F693 HydrophobicContact CB-CE2 4.03Å; I671-F693 HydrophobicContact CD1-CD2 4.37Å; I671-F693 HydrophobicContact CD1-CE2 3.84Å; I671-F693 HydrophobicContact CG1-CE2 4.38Å; I671-F693 HydrophobicContact CG2-CE2 4.29Å; C672-F693 PolarHBondContact O-N 3.37Å; G673-F693 WeakPolarHBondContact CA-O 3.23Å; G674-F693 PolarHBondContact N-O 2.98Å; G674-F693 VanDerWaalsContact N-O 3.14Å; C691-F693 HydrophobicContact CB-CE2 3.87Å; C691-F693 HydrophobicContact CB-CZ 3.98Å; C691-F693 WeakPolarHBondContact SG-CZ 3.35Å; F693-W697 HydrophobicContact CB-CG 4.38Å; F693-W697 AromaticContact CD1-CD1 3.94Å; F693-W697 AromaticContact CD1-CD2 3.41Å; F693-W697 HydrophobicContact CD1-CD2 3.41Å; F693-W697 VanDerWaalsContact CD1-CD2 3.41Å; F693-W697 AromaticContact CD1-CE2 3.35Å; F693-W697 AromaticContact CD1-CE3 3.78Å; F693-W697 HydrophobicContact CD1-CE3 3.78Å; F693-W697 AromaticContact CD1-CG 3.86Å; F693-W697 HydrophobicContact CD1-CG 3.86Å; F693-W697 HydrophobicContact CD1-CH2 4.12Å; F693-W697 AromaticContact CD1-CZ2 3.75Å; F693-W697 HydrophobicContact CD1-CZ2 3.75Å; F693-W697 HydrophobicContact CD1-CZ3 4.12Å; F693-W697 AromaticContact CD1-NE1 3.64Å; F693-W697 AromaticContact CE1-CD2 3.98Å; F693-W697 HydrophobicContact CE1-CD2 3.98Å; F693-W697 AromaticContact CE1-CE2 3.53Å; F693-W697 HydrophobicContact CE1-CE3 4.19Å; F693-W697 AromaticContact CE1-CH2 3.68Å; F693-W697 HydrophobicContact CE1-CH2 3.68Å; F693-W697 AromaticContact CE1-CZ2 3.39Å; F693-W697 HydrophobicContact CE1-CZ2 3.39Å; F693-W697 HydrophobicContact CE1-CZ3 4.05Å; F693-W697 HydrophobicContact CG-CD2 4.4Å
694	G	85.8	Confident	91.3	Very high	12 Å²	12	53.5 Å²	53.5	12%	0.124	30%	0.3	C	S	.	.			trans	-72.7	175.6	180	0	0	0	0	0	114.5	G696 W697	G694-G696 PolarHBondContact O-N 3.23Å; G694-W697 WeakPolarHBondContact O-CB 3.42Å; G694-W697 PolarHBondContact O-N 3.06Å
695	P	84.4	Confident	90.9	Very high	37 Å²	37	57.1 Å²	57.1	24%	0.24	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	136.8	173.7	-26.4	34.7	0	0	0	112.8	E330 Q331 G674 V675	E330-P695 HydrophobicContact CB-CB 4.22Å; E330-P695 VanDerWaalsContact OE2-CD 3.25Å; E330-P695 WeakPolarHBondContact OE2-CD 3.37Å; Q331-P695 PolarHBondContact NE2-O 2.84Å; G674-P695 WeakPolarHBondContact O-CD 3.4Å; V675-P695 HydrophobicContact CG2-CG 4.33Å
696	G	78.6	Confident	90.4	Very high	38 Å²	38	54.2 Å²	54.2	39%	0.392	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	3.5	178.7	0	0	0	0	0	115.3	G694	G694-G696 PolarHBondContact O-N 3.23Å
697	W	81.7	Confident	89.8	Confident	136 Å²	136	45.5 Å²	45.5	52%	0.515	28%	0.279	S	S	.	.			trans	-64.5	137.5	165.5	-147.6	84.9	0	0	0	110.5	F693 G694	F693-W697 HydrophobicContact CB-CG 4.38Å; F693-W697 AromaticContact CD1-CD1 3.94Å; F693-W697 AromaticContact CD1-CD2 3.41Å; F693-W697 HydrophobicContact CD1-CD2 3.41Å; F693-W697 VanDerWaalsContact CD1-CD2 3.41Å; F693-W697 AromaticContact CD1-CE2 3.35Å; F693-W697 AromaticContact CD1-CE3 3.78Å; F693-W697 HydrophobicContact CD1-CE3 3.78Å; F693-W697 AromaticContact CD1-CG 3.86Å; F693-W697 HydrophobicContact CD1-CG 3.86Å; F693-W697 HydrophobicContact CD1-CH2 4.12Å; F693-W697 AromaticContact CD1-CZ2 3.75Å; F693-W697 HydrophobicContact CD1-CZ2 3.75Å; F693-W697 HydrophobicContact CD1-CZ3 4.12Å; F693-W697 AromaticContact CD1-NE1 3.64Å; F693-W697 AromaticContact CE1-CD2 3.98Å; F693-W697 HydrophobicContact CE1-CD2 3.98Å; F693-W697 AromaticContact CE1-CE2 3.53Å; F693-W697 HydrophobicContact CE1-CE3 4.19Å; F693-W697 AromaticContact CE1-CH2 3.68Å; F693-W697 HydrophobicContact CE1-CH2 3.68Å; F693-W697 AromaticContact CE1-CZ2 3.39Å; F693-W697 HydrophobicContact CE1-CZ2 3.39Å; F693-W697 HydrophobicContact CE1-CZ3 4.05Å; F693-W697 HydrophobicContact CG-CD2 4.4Å; G694-W697 WeakPolarHBondContact O-CB 3.42Å; G694-W697 PolarHBondContact O-N 3.06Å
698	L	81.8	Confident	89.3	Confident	60 Å²	60	46.6 Å²	46.6	31%	0.314	28%	0.284	S	S	.	.			trans	-95.9	132.5	-178.7	-50.7	-178.9	0	0	0	109	D450 N460	D450-L698 HydrophobicContact CB-CB 4.43Å; D450-L698 WeakPolarHBondContact OD1-CD2 3.45Å; N460-L698 HydrophobicContact CB-CD2 4.49Å
699	L	80.8	Confident	88.6	Confident	49 Å²	49	47.1 Å²	47.1	26%	0.257	27%	0.271	S	S	.	.			trans	-72.7	0	-162.9	-138.7	133.6	0	0	0	115.6	Q446 D450 Y558 V604 V605 Y609 M612	Q446-L699 HydrophobicContact CG-CD1 4.42Å; D450-L699 WeakPolarHBondContact OD2-CB 3.47Å; D450-L699 PolarHBondContact OD2-N 2.87Å; Y558-L699 HydrophobicContact CE2-CB 4.38Å; Y558-L699 WeakPolarHBondContact OH-CB 3.29Å; V604-L699 HydrophobicContact CG1-CD1 3.97Å; V605-L699 HydrophobicContact CB-CD1 4.42Å; V605-L699 HydrophobicContact CG2-CD1 3.8Å; V605-L699 HydrophobicContact CG2-CG 4.43Å; Y609-L699 HydrophobicContact CD1-CD2 3.64Å; Y609-L699 HydrophobicContact CE1-CD2 3.79Å; Y609-L699 HydrophobicContact CE1-CG 4.45Å; M612-L699 HydrophobicContact CE-CD2 3.73Å

Retrieved 699 of 699 residues in 4620.9 ms (Link to these results)

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