A0A3Q0KDU1_SCHMA Loading...

Thimet oligopeptidase (M03 family)

AlphaFold DB , UniProt , Accession A0A3Q0KDU1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 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	69.8	Low	86.3	Confident	172 Å²	172	62.4 Å²	62.4	85%	0.847	34%	0.338	S	S	*	.				0	147.1	0	-67.6	174.2	-157.9	0	0	107.9	N368 E370	M1-N368 CarbonylContact C-O 3.48Å; M1-N368 WeakPolarHBondContact CA-O 3.45Å; M1-E370 HydrophobicContact CB-CB 4.14Å; M1-E370 HydrophobicContact CB-CG 4.37Å; M1-E370 HydrophobicContact SD-CB 4.4Å; M1-E370 HydrophobicContact SD-CG 3.85Å
2	F	78.6	Confident	84.8	Confident	104 Å²	104	64.7 Å²	64.7	46%	0.456	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-110.3	125.3	-179.7	173.2	-103.1	0	0	0	108.6	A4 P5 V366 N368 E370	F2-A4 HydrophobicContact CE1-CB 4.45Å; F2-P5 HydrophobicContact CZ-CG 4.43Å; F2-V366 HydrophobicContact CD1-CG1 4.25Å; F2-V366 HydrophobicContact CE1-CG1 4.45Å; F2-N368 PolarHBondContact N-O 3.19Å; F2-E370 PolarHBondContact O-N 3.3Å; F2-E370 VanDerWaalsContact O-N 3.17Å
3	V	82	Confident	84.2	Confident	73 Å²	73	61.1 Å²	61.1	44%	0.442	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-82.7	120.9	169.7	-178.5	0	0	0	0	107.3	C7 E370	V3-C7 HydrophobicContact CG1-CB 4.27Å; V3-C7 WeakPolarHBondContact CG1-O 3.21Å; V3-E370 WeakPolarHBondContact CG2-OE2 3.44Å
4	A	87.3	Confident	84.8	Confident	3 Å²	3	61.6 Å²	61.6	3%	0.025	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-65.9	143.2	-179.4	0	0	0	0	0	111.1	F2 G6 C7 V366 M378 Y392	F2-A4 HydrophobicContact CE1-CB 4.45Å; A4-G6 PolarHBondContact O-N 3.15Å; A4-C7 HydrophobicContact CB-CB 4.2Å; A4-C7 WeakPolarHBondContact O-CB 3.09Å; A4-C7 PolarHBondContact O-N 3.02Å; A4-V366 HydrophobicContact CB-CG1 4.45Å; A4-M378 HydrophobicContact CB-CE 3.75Å; A4-M378 HydrophobicContact CB-SD 4.31Å; A4-Y392 HydrophobicContact CB-CD1 4.29Å; A4-Y392 HydrophobicContact CB-CE1 3.7Å; A4-Y392 HydrophobicContact CB-CE2 4.12Å
5	P	87.5	Confident	85.6	Confident	85 Å²	85	61.3 Å²	61.3	55%	0.552	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	131	178.9	-26	34.8	0	0	0	112.2	F2 C7 Y392	F2-P5 HydrophobicContact CZ-CG 4.43Å; P5-C7 PolarHBondContact O-N 2.88Å; P5-Y392 VanDerWaalsContact O-CE2 3.26Å; P5-Y392 WeakPolarHBondContact O-CE2 3.25Å; P5-Y392 PolarHBondContact O-OH 3.06Å
6	G	89.6	Confident	86.3	Confident	41 Å²	41	65.3 Å²	65.3	42%	0.423	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	3	-177	0	0	0	0	0	115.3	A4 Q413	A4-G6 PolarHBondContact O-N 3.15Å; G6-Q413 PolarHBondContact O-NE2 2.75Å
7	C	91.6	Very high	86.8	Confident	12 Å²	12	64.4 Å²	64.4	8%	0.081	37%	0.37	C	S	.	.			trans	-82.5	116	167	-174.2	0	0	0	0	109.6	V3 A4 P5 I445	V3-C7 HydrophobicContact CG1-CB 4.27Å; V3-C7 WeakPolarHBondContact CG1-O 3.21Å; A4-C7 HydrophobicContact CB-CB 4.2Å; A4-C7 WeakPolarHBondContact O-CB 3.09Å; A4-C7 PolarHBondContact O-N 3.02Å; P5-C7 PolarHBondContact O-N 2.88Å; C7-I445 HydrophobicContact CB-CD1 3.82Å; C7-I445 VanDerWaalsContact SG-CD1 3.51Å
8	L	92.4	Very high	87.4	Confident	55 Å²	55	60.8 Å²	60.8	29%	0.288	35%	0.35	S	S	.	.			trans	-93.2	-7.9	178.6	-51.4	178.5	0	0	0	112.3	T60 Q413	L8-T60 HydrophobicContact CB-CG2 3.92Å; L8-Q413 VanDerWaalsContact CB-OE1 3.3Å
9	L	93.2	Very high	87.9	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	35%	0.352	C	S	.	.			trans	-72	139.2	-178.3	-55.9	169.4	0	0	0	111.4	W11 T60 A64 Y394 L412 I445	L9-W11 HydrophobicContact CB-CZ2 4.22Å; L9-W11 HydrophobicContact CD1-CH2 4.43Å; L9-W11 HydrophobicContact CD1-CZ2 3.83Å; L9-W11 HydrophobicContact CG-CZ2 4.49Å; L9-T60 HydrophobicContact CD2-CG2 3.83Å; L9-A64 HydrophobicContact CD2-CB 4.04Å; L9-Y394 HydrophobicContact CD1-CE2 4.28Å; L9-L412 HydrophobicContact CD1-CB 3.68Å; L9-L412 HydrophobicContact CD1-CD1 3.98Å; L9-L412 HydrophobicContact CD1-CG 4.49Å; L9-L412 HydrophobicContact CD2-CB 4.09Å; L9-I445 HydrophobicContact CD1-CB 4.05Å; L9-I445 HydrophobicContact CD1-CD1 4.14Å; L9-I445 HydrophobicContact CD1-CG2 3.62Å
10	K	88.3	Confident	88.4	Confident	127 Å²	127	64.7 Å²	64.7	55%	0.552	37%	0.366	S	S	*	.			trans	-128.9	118.6	174	-62.3	178.1	-176.2	173.3	0	109.8	R21	K10-R21 PolarHBondContact O-NH1 3.12Å
11	W	88.7	Confident	88.8	Confident	12 Å²	12	62.6 Å²	62.6	5%	0.045	35%	0.352	C	S	.	.			trans	-99.9	-31.3	-176	-58.6	120.2	0	0	0	113.2	L9 G13 F67 L68 E370 W372 Y394 L412	L9-W11 HydrophobicContact CB-CZ2 4.22Å; L9-W11 HydrophobicContact CD1-CH2 4.43Å; L9-W11 HydrophobicContact CD1-CZ2 3.83Å; L9-W11 HydrophobicContact CG-CZ2 4.49Å; W11-G13 VanDerWaalsContact C-N 3.35Å; W11-G13 PolarHBondContact O-N 2.54Å; W11-F67 HydrophobicContact CH2-CB 4.42Å; W11-F67 AromaticContact CH2-CD1 3.44Å; W11-F67 HydrophobicContact CH2-CD1 3.44Å; W11-F67 VanDerWaalsContact CH2-CD1 3.44Å; W11-F67 HydrophobicContact CH2-CE1 4.1Å; W11-F67 HydrophobicContact CH2-CG 4.32Å; W11-F67 HydrophobicContact CZ2-CD1 4.36Å; W11-F67 HydrophobicContact CZ3-CB 4.21Å; W11-F67 AromaticContact CZ3-CD1 3.58Å; W11-F67 HydrophobicContact CZ3-CD1 3.58Å; W11-F67 HydrophobicContact CZ3-CE1 4.48Å; W11-F67 HydrophobicContact CZ3-CG 4.38Å; W11-L68 HydrophobicContact CE3-CD2 4Å; W11-L68 HydrophobicContact CE3-CG 4.49Å; W11-E370 HydrophobicContact CB-CG 4.37Å; W11-E370 PolarHBondContact N-OE1 3.15Å; W11-W372 AromaticContact CD2-CE3 3.93Å; W11-W372 HydrophobicContact CD2-CE3 3.93Å; W11-W372 HydrophobicContact CD2-CZ3 4.37Å; W11-W372 AromaticContact CE2-CE3 3.75Å; W11-W372 AromaticContact CE2-CZ3 3.73Å; W11-W372 HydrophobicContact CE3-CE3 4.42Å; W11-W372 HydrophobicContact CG-CE3 4.26Å; W11-W372 HydrophobicContact CH2-CZ3 4.33Å; W11-W372 HydrophobicContact CZ2-CE3 4.08Å; W11-W372 AromaticContact CZ2-CZ3 3.69Å; W11-W372 HydrophobicContact CZ2-CZ3 3.69Å; W11-W372 AromaticContact NE1-CE3 3.98Å; W11-W372 AromaticContact NE1-CZ3 3.97Å; W11-Y394 HydrophobicContact CZ2-CE2 4.24Å; W11-Y394 AromaticContact NE1-CZ 3.59Å; W11-Y394 PolarHBondContact NE1-OH 3.17Å; W11-L412 HydrophobicContact CH2-CD1 3.7Å; W11-L412 HydrophobicContact CH2-CD2 4.09Å; W11-L412 HydrophobicContact CH2-CG 4.43Å; W11-L412 HydrophobicContact CZ2-CD1 3.64Å
12	S	69.3	Low	90.1	Very high	90 Å²	90	54.4 Å²	54.4	63%	0.629	31%	0.312	S	S	*	.			trans	-76.5	82.4	-175.8	66.2	0	0	0	0	111.8	E370	S12-E370 PolarHBondContact N-OE1 2.96Å; S12-E370 PolarHBondContact OG-OE1 3.5Å
13	G	76.2	Confident	91	Very high	18 Å²	18	51.4 Å²	51.4	19%	0.186	30%	0.304	C	S	.	.			trans	-118.7	139	177	0	0	0	0	0	112.9	W11 D17 I77	W11-G13 VanDerWaalsContact C-N 3.35Å; W11-G13 PolarHBondContact O-N 2.54Å; G13-D17 WeakPolarHBondContact CA-OD2 3.25Å; G13-I77 VanDerWaalsContact O-CD1 3.27Å; G13-I77 WeakPolarHBondContact O-CD1 3.33Å
14	S	93.1	Very high	91.8	Very high	68 Å²	68	52.1 Å²	52.1	48%	0.476	31%	0.309	S	S	.	.			trans	-76.4	168.4	159.8	72.5	0	0	0	0	109.8	N16 D17 I18	S14-N16 PolarHBondContact O-N 2.82Å; S14-N16 PolarHBondContact OG-N 2.9Å; S14-D17 WeakPolarHBondContact O-CB 3.23Å; S14-D17 PolarHBondContact O-N 3.22Å; S14-D17 VanDerWaalsContact O-N 3.09Å; S14-D17 PolarHBondContact OG-N 2.94Å; S14-I18 PolarHBondContact O-N 3.46Å; S14-I18 VanDerWaalsContact O-N 3.15Å
15	V	96.6	Very high	92.3	Very high	58 Å²	58	52.5 Å²	52.5	35%	0.352	31%	0.31	S	S	.	.	H	α-helix	trans	-52.7	-40.9	171.6	171	0	0	0	0	111.4	I18 V19 A76 I77 A80	V15-I18 PolarHBondContact O-N 3.46Å; V15-V19 WeakPolarHBondContact O-CG2 3.5Å; V15-V19 PolarHBondContact O-N 3.24Å; V15-A76 HydrophobicContact CG2-CB 4.11Å; V15-I77 HydrophobicContact CG2-CD1 4.06Å; V15-A80 HydrophobicContact CB-CB 4.36Å; V15-A80 HydrophobicContact CG1-CB 3.9Å; V15-A80 HydrophobicContact CG2-CB 4.18Å
16	N	96.4	Very high	92.8	Very high	125 Å²	125	49.7 Å²	49.7	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-67.5	-37.1	179.5	-69.3	-12.8	0	0	0	112.5	S14 V19 E20	S14-N16 PolarHBondContact O-N 2.82Å; S14-N16 PolarHBondContact OG-N 2.9Å; N16-V19 PolarHBondContact O-N 3.49Å; N16-E20 WeakPolarHBondContact O-CB 3.18Å; N16-E20 PolarHBondContact O-N 3.37Å
17	D	95.7	Very high	93.2	Very high	49 Å²	49	51.5 Å²	51.5	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-44.1	176.9	178.2	49.9	0	0	0	111.1	G13 S14 V19 E20 R21	G13-D17 WeakPolarHBondContact CA-OD2 3.25Å; S14-D17 WeakPolarHBondContact O-CB 3.23Å; S14-D17 PolarHBondContact O-N 3.22Å; S14-D17 VanDerWaalsContact O-N 3.09Å; S14-D17 PolarHBondContact OG-N 2.94Å; D17-V19 VanDerWaalsContact C-N 3.31Å; D17-V19 PolarHBondContact O-N 3.03Å; D17-E20 PolarHBondContact O-N 3.15Å; D17-R21 WeakPolarHBondContact O-CB 3.4Å; D17-R21 VanDerWaalsContact O-CG 3.23Å; D17-R21 WeakPolarHBondContact O-CG 3.33Å; D17-R21 PolarHBondContact O-N 3.02Å; D17-R21 WeakPolarHBondContact OD1-CD 3.46Å; D17-R21 WeakPolarHBondContact OD2-CD 3.48Å; D17-R21 IonicContact OD2-NH1 3.35Å
18	I	97.3	Very high	93.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-44.7	175.2	-66.8	171.5	0	0	0	111	S14 V15 T22 I65 L68 I77 A80 A84	S14-I18 PolarHBondContact O-N 3.46Å; S14-I18 VanDerWaalsContact O-N 3.15Å; V15-I18 PolarHBondContact O-N 3.46Å; I18-T22 VanDerWaalsContact O-CB 3.28Å; I18-T22 WeakPolarHBondContact O-CB 3.49Å; I18-T22 PolarHBondContact O-N 2.65Å; I18-T22 PolarHBondContact O-OG1 3.31Å; I18-I65 HydrophobicContact CG2-CG2 4.16Å; I18-L68 HydrophobicContact CD1-CD1 3.84Å; I18-L68 HydrophobicContact CG1-CD1 4.29Å; I18-I77 HydrophobicContact CD1-CD1 4.23Å; I18-I77 HydrophobicContact CD1-CG2 3.93Å; I18-A80 HydrophobicContact CD1-CB 4.18Å; I18-A80 HydrophobicContact CG2-CB 4.34Å; I18-A84 HydrophobicContact CG2-CB 3.87Å
19	V	96.9	Very high	93.8	Very high	66 Å²	66	51.7 Å²	51.7	40%	0.4	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-42.6	179.7	172.1	0	0	0	0	111.9	V15 N16 D17 S23	V15-V19 WeakPolarHBondContact O-CG2 3.5Å; V15-V19 PolarHBondContact O-N 3.24Å; N16-V19 PolarHBondContact O-N 3.49Å; D17-V19 VanDerWaalsContact C-N 3.31Å; D17-V19 PolarHBondContact O-N 3.03Å; V19-S23 PolarHBondContact O-N 3.21Å; V19-S23 VanDerWaalsContact O-N 3.11Å; V19-S23 PolarHBondContact O-OG 3.08Å
20	E	96.8	Very high	94	Very high	133 Å²	133	54.7 Å²	54.7	62%	0.621	31%	0.312	S	S	*	.	H	α-helix	trans	-68.2	-47.9	179.3	-176.2	175.2	179.7	0	0	111.8	N16 D17 T22 S23 T24	N16-E20 WeakPolarHBondContact O-CB 3.18Å; N16-E20 PolarHBondContact O-N 3.37Å; D17-E20 PolarHBondContact O-N 3.15Å; E20-T22 VanDerWaalsContact C-N 3.33Å; E20-T22 PolarHBondContact O-N 3.13Å; E20-S23 PolarHBondContact O-N 3.04Å; E20-T24 WeakPolarHBondContact O-CB 3.49Å; E20-T24 PolarHBondContact O-N 2.5Å; E20-T24 PolarHBondContact O-OG1 2.73Å
21	R	96.7	Very high	94.5	Very high	22 Å²	22	51.4 Å²	51.4	8%	0.083	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-44.1	176.4	-70.7	174	65.3	-171.4	-0.1	111.6	K10 D17 S23 T24 L25 E61 I65	K10-R21 PolarHBondContact O-NH1 3.12Å; D17-R21 WeakPolarHBondContact O-CB 3.4Å; D17-R21 VanDerWaalsContact O-CG 3.23Å; D17-R21 WeakPolarHBondContact O-CG 3.33Å; D17-R21 PolarHBondContact O-N 3.02Å; D17-R21 WeakPolarHBondContact OD1-CD 3.46Å; D17-R21 WeakPolarHBondContact OD2-CD 3.48Å; D17-R21 IonicContact OD2-NH1 3.35Å; R21-S23 PolarHBondContact O-N 2.92Å; R21-T24 PolarHBondContact O-N 3.3Å; R21-L25 VanDerWaalsContact O-CB 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.35Å; R21-L25 PolarHBondContact O-N 3.48Å; R21-E61 IonicContact CZ-OE1 3.32Å; R21-E61 VanDerWaalsContact CZ-OE1 3.22Å; R21-E61 IonicContact CZ-OE2 3.34Å; R21-E61 IonicContact NE-OE1 3.87Å; R21-E61 PolarHBondContact NE-OE1 3.25Å; R21-E61 IonicContact NE-OE2 2.76Å; R21-E61 IonicContact NH2-OE1 2.99Å; R21-E61 PolarHBondContact NH2-OE1 2.68Å; R21-E61 IonicContact NH2-OE2 3.03Å; R21-E61 PolarHBondContact NH2-OE2 3.27Å; R21-I65 HydrophobicContact CB-CD1 4Å; R21-I65 HydrophobicContact CB-CG1 4.46Å
22	T	97.7	Very high	94.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-47	174.8	-59.1	0	0	0	0	111.8	I18 E20 T24 L25 I26 A84 R87 L88	I18-T22 VanDerWaalsContact O-CB 3.28Å; I18-T22 WeakPolarHBondContact O-CB 3.49Å; I18-T22 PolarHBondContact O-N 2.65Å; I18-T22 PolarHBondContact O-OG1 3.31Å; E20-T22 VanDerWaalsContact C-N 3.33Å; E20-T22 PolarHBondContact O-N 3.13Å; T22-T24 VanDerWaalsContact C-N 3.35Å; T22-T24 PolarHBondContact O-N 3.18Å; T22-L25 PolarHBondContact O-N 3.31Å; T22-I26 HydrophobicContact CG2-CD1 3.96Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.06Å; T22-I26 PolarHBondContact O-N 2.85Å; T22-A84 HydrophobicContact CG2-CB 4.09Å; T22-A84 WeakPolarHBondContact OG1-CB 3.48Å; T22-R87 HydrophobicContact CG2-CB 4.34Å; T22-L88 HydrophobicContact CG2-CD1 4.49Å; T22-L88 HydrophobicContact CG2-CD2 4.25Å; T22-L88 HydrophobicContact CG2-CG 4.05Å
23	S	98.1	Very high	96.3	Very high	41 Å²	41	48.2 Å²	48.2	29%	0.287	28%	0.281	S	S	.	.	H	α-helix	trans	-68.2	-36.8	-177.9	-52.6	0	0	0	0	112	V19 E20 R21 S27 R87	V19-S23 PolarHBondContact O-N 3.21Å; V19-S23 VanDerWaalsContact O-N 3.11Å; V19-S23 PolarHBondContact O-OG 3.08Å; E20-S23 PolarHBondContact O-N 3.04Å; R21-S23 PolarHBondContact O-N 2.92Å; S23-S27 WeakPolarHBondContact O-CB 3.18Å; S23-S27 PolarHBondContact O-N 3.14Å; S23-S27 VanDerWaalsContact O-N 3.08Å; S23-S27 PolarHBondContact O-OG 3.35Å; S23-R87 PolarHBondContact OG-NH2 3.46Å
24	T	97.7	Very high	97.3	Very high	88 Å²	88	50.8 Å²	50.8	54%	0.54	29%	0.291	S	S	.	.	H	α-helix	trans	-65.8	-45.9	174.2	-60	0	0	0	0	111.3	E20 R21 T22 I26 S27 N28	E20-T24 WeakPolarHBondContact O-CB 3.49Å; E20-T24 PolarHBondContact O-N 2.5Å; E20-T24 PolarHBondContact O-OG1 2.73Å; R21-T24 PolarHBondContact O-N 3.3Å; T22-T24 VanDerWaalsContact C-N 3.35Å; T22-T24 PolarHBondContact O-N 3.18Å; T24-I26 PolarHBondContact O-N 2.83Å; T24-S27 PolarHBondContact O-N 2.71Å; T24-N28 PolarHBondContact O-N 3.34Å
25	L	97.6	Very high	97.5	Very high	10 Å²	10	55.4 Å²	55.4	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-45.8	178.4	-176.7	60.4	0	0	0	111.7	R21 T22 S27 N28 A29 Y58 E61 K62 I65 L88	R21-L25 VanDerWaalsContact O-CB 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.35Å; R21-L25 PolarHBondContact O-N 3.48Å; T22-L25 PolarHBondContact O-N 3.31Å; L25-S27 PolarHBondContact O-N 3.05Å; L25-N28 PolarHBondContact O-N 3.22Å; L25-A29 WeakPolarHBondContact O-CB 3.14Å; L25-A29 PolarHBondContact O-N 3.41Å; L25-Y58 HydrophobicContact CD1-CD2 3.48Å; L25-Y58 VanDerWaalsContact CD1-CD2 3.48Å; L25-Y58 HydrophobicContact CD1-CE2 3.9Å; L25-Y58 HydrophobicContact CD1-CG 4.33Å; L25-Y58 HydrophobicContact CD2-CD2 4.24Å; L25-Y58 HydrophobicContact CD2-CE2 3.95Å; L25-Y58 HydrophobicContact CG-CD2 3.83Å; L25-Y58 HydrophobicContact CG-CE2 3.68Å; L25-E61 HydrophobicContact CD1-CB 4.07Å; L25-E61 HydrophobicContact CD1-CG 4.06Å; L25-E61 HydrophobicContact CD2-CB 4.24Å; L25-E61 HydrophobicContact CD2-CG 4.01Å; L25-E61 HydrophobicContact CG-CG 4.42Å; L25-K62 HydrophobicContact CD2-CB 4.18Å; L25-I65 HydrophobicContact CD2-CD1 4.23Å; L25-L88 HydrophobicContact CB-CD2 4.47Å; L25-L88 HydrophobicContact CD2-CD1 4.24Å; L25-L88 HydrophobicContact CD2-CD2 3.76Å; L25-L88 HydrophobicContact CG-CD2 4.16Å
26	I	98.6	Very high	97.6	Very high	27 Å²	27	52.7 Å²	52.7	14%	0.138	28%	0.281	C	S	.	.	H	α-helix	trans	-57.3	-49.5	174.3	-73.6	168.5	0	0	0	111	T22 T24 N28 A29 I30 R87 L88 M91	T22-I26 HydrophobicContact CG2-CD1 3.96Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.06Å; T22-I26 PolarHBondContact O-N 2.85Å; T24-I26 PolarHBondContact O-N 2.83Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 2.95Å; I26-A29 PolarHBondContact O-N 2.88Å; I26-I30 HydrophobicContact CG2-CD1 3.82Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 2.98Å; I26-R87 HydrophobicContact CD1-CB 4.19Å; I26-L88 HydrophobicContact CD1-CD2 4.37Å; I26-L88 HydrophobicContact CG1-CD2 3.8Å; I26-M91 HydrophobicContact CB-CG 4.4Å; I26-M91 HydrophobicContact CG1-CB 4.32Å; I26-M91 HydrophobicContact CG1-CE 4.14Å; I26-M91 HydrophobicContact CG1-CG 4.09Å; I26-M91 HydrophobicContact CG2-CG 3.9Å
27	S	98.3	Very high	97.6	Very high	78 Å²	78	47.3 Å²	47.3	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-40.8	-177.9	-57.8	0	0	0	0	112	S23 T24 L25 S31	S23-S27 WeakPolarHBondContact O-CB 3.18Å; S23-S27 PolarHBondContact O-N 3.14Å; S23-S27 VanDerWaalsContact O-N 3.08Å; S23-S27 PolarHBondContact O-OG 3.35Å; T24-S27 PolarHBondContact O-N 2.71Å; L25-S27 PolarHBondContact O-N 3.05Å; S27-S31 PolarHBondContact O-N 3.45Å; S27-S31 VanDerWaalsContact O-N 3.13Å
28	N	97.8	Very high	97.6	Very high	71 Å²	71	49.5 Å²	49.5	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-44.8	175.7	-173	34.6	0	0	0	111.6	T24 L25 I26 I30 S31 V32	T24-N28 PolarHBondContact O-N 3.34Å; L25-N28 PolarHBondContact O-N 3.22Å; I26-N28 VanDerWaalsContact C-N 3.33Å; I26-N28 PolarHBondContact O-N 2.95Å; N28-I30 PolarHBondContact O-N 2.69Å; N28-S31 WeakPolarHBondContact O-CB 3.17Å; N28-S31 PolarHBondContact O-N 3.3Å; N28-S31 VanDerWaalsContact O-N 3.16Å; N28-V32 WeakPolarHBondContact O-CG2 3.36Å; N28-V32 PolarHBondContact O-N 3.04Å
29	A	98.3	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-47.6	179.9	0	0	0	0	0	112.2	L25 I26 S31 V32 Y33 F54 Y58 M91 L95	L25-A29 WeakPolarHBondContact O-CB 3.14Å; L25-A29 PolarHBondContact O-N 3.41Å; I26-A29 PolarHBondContact O-N 2.88Å; A29-S31 VanDerWaalsContact C-N 3.34Å; A29-S31 PolarHBondContact O-N 2.96Å; A29-V32 PolarHBondContact O-N 3.11Å; A29-Y33 WeakPolarHBondContact O-CD2 3.31Å; A29-Y33 PolarHBondContact O-N 3.35Å; A29-Y33 VanDerWaalsContact O-N 3.08Å; A29-F54 VanDerWaalsContact CA-CZ 3.42Å; A29-F54 HydrophobicContact CB-CE1 4.46Å; A29-F54 HydrophobicContact CB-CE2 4.1Å; A29-F54 HydrophobicContact CB-CZ 3.49Å; A29-F54 VanDerWaalsContact CB-CZ 3.49Å; A29-Y58 HydrophobicContact CB-CD2 4.11Å; A29-Y58 HydrophobicContact CB-CE2 3.99Å; A29-M91 HydrophobicContact CB-CE 3.99Å; A29-M91 HydrophobicContact CB-SD 3.93Å; A29-L95 HydrophobicContact CB-CD1 3.69Å
30	I	98.4	Very high	96.9	Very high	65 Å²	65	50 Å²	50	33%	0.333	29%	0.29	S	S	.	.	H	α-helix	trans	-58	-46.9	174.8	-66.6	167.1	0	0	0	110.6	I26 N28 V32 Y33 D34 L95	I26-I30 HydrophobicContact CG2-CD1 3.82Å; I26-I30 WeakPolarHBondContact O-CG1 3.37Å; I26-I30 PolarHBondContact O-N 2.98Å; N28-I30 PolarHBondContact O-N 2.69Å; I30-V32 VanDerWaalsContact C-N 3.35Å; I30-V32 PolarHBondContact O-N 3.02Å; I30-Y33 PolarHBondContact O-N 2.92Å; I30-D34 WeakPolarHBondContact O-CB 3.42Å; I30-D34 PolarHBondContact O-N 3.48Å; I30-L95 HydrophobicContact CG1-CD2 4.26Å
31	S	98.1	Very high	96.6	Very high	58 Å²	58	48.9 Å²	48.9	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-40.4	-179.3	-173.1	0	0	0	0	113.3	S27 N28 A29 R35	S27-S31 PolarHBondContact O-N 3.45Å; S27-S31 VanDerWaalsContact O-N 3.13Å; N28-S31 WeakPolarHBondContact O-CB 3.17Å; N28-S31 PolarHBondContact O-N 3.3Å; N28-S31 VanDerWaalsContact O-N 3.16Å; A29-S31 VanDerWaalsContact C-N 3.34Å; A29-S31 PolarHBondContact O-N 2.96Å; S31-R35 WeakPolarHBondContact O-CB 3.33Å; S31-R35 PolarHBondContact O-N 3.26Å
32	V	97.5	Very high	96.5	Very high	16 Å²	16	48.7 Å²	48.7	10%	0.097	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-45.2	177.3	173.2	0	0	0	0	111	N28 A29 I30 D34 R35 V36 F54	N28-V32 WeakPolarHBondContact O-CG2 3.36Å; N28-V32 PolarHBondContact O-N 3.04Å; A29-V32 PolarHBondContact O-N 3.11Å; I30-V32 VanDerWaalsContact C-N 3.35Å; I30-V32 PolarHBondContact O-N 3.02Å; V32-D34 VanDerWaalsContact C-N 3.34Å; V32-D34 PolarHBondContact O-N 2.85Å; V32-R35 PolarHBondContact O-N 3.29Å; V32-V36 WeakPolarHBondContact O-CG2 3.25Å; V32-V36 PolarHBondContact O-N 3.36Å; V32-F54 HydrophobicContact CB-CD1 4.48Å; V32-F54 HydrophobicContact CB-CD2 4.05Å; V32-F54 HydrophobicContact CB-CE2 4.41Å; V32-F54 HydrophobicContact CB-CG 4.08Å; V32-F54 HydrophobicContact CG1-CB 3.82Å; V32-F54 HydrophobicContact CG1-CD1 4.05Å; V32-F54 HydrophobicContact CG1-CD2 4.18Å; V32-F54 HydrophobicContact CG1-CG 3.71Å; V32-F54 HydrophobicContact CG2-CB 4.44Å; V32-F54 HydrophobicContact CG2-CD2 3.69Å; V32-F54 HydrophobicContact CG2-CE2 4.22Å; V32-F54 HydrophobicContact CG2-CG 4.09Å
33	Y	98.2	Very high	96.3	Very high	20 Å²	20	51.2 Å²	51.2	8%	0.078	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-40.3	177.4	-88.8	-112.9	0	0	0	112	A29 I30 R35 V36 G37 M51 F54 L95 R98 V101	A29-Y33 WeakPolarHBondContact O-CD2 3.31Å; A29-Y33 PolarHBondContact O-N 3.35Å; A29-Y33 VanDerWaalsContact O-N 3.08Å; I30-Y33 PolarHBondContact O-N 2.92Å; Y33-R35 PolarHBondContact O-N 2.62Å; Y33-V36 PolarHBondContact O-N 3.17Å; Y33-G37 PolarHBondContact O-N 2.92Å; Y33-M51 HydrophobicContact CD1-CE 4.22Å; Y33-M51 HydrophobicContact CD2-CE 3.88Å; Y33-M51 HydrophobicContact CD2-SD 4.31Å; Y33-M51 HydrophobicContact CE1-CE 4Å; Y33-M51 HydrophobicContact CE2-CE 3.65Å; Y33-M51 HydrophobicContact CE2-SD 3.63Å; Y33-M51 HydrophobicContact CG-CE 4.16Å; Y33-F54 HydrophobicContact CD2-CE1 4.33Å; Y33-F54 HydrophobicContact CE2-CD1 4.32Å; Y33-F54 AromaticContact CE2-CE1 3.84Å; Y33-F54 HydrophobicContact CE2-CE1 3.84Å; Y33-L95 HydrophobicContact CD1-CB 3.9Å; Y33-L95 HydrophobicContact CD1-CD2 4.05Å; Y33-L95 HydrophobicContact CD1-CG 4.39Å; Y33-L95 HydrophobicContact CD2-CB 4.49Å; Y33-L95 HydrophobicContact CD2-CD1 3.77Å; Y33-L95 HydrophobicContact CD2-CD2 4.2Å; Y33-L95 HydrophobicContact CD2-CG 4.39Å; Y33-L95 HydrophobicContact CE1-CB 3.73Å; Y33-L95 VanDerWaalsContact CE1-O 3.31Å; Y33-L95 WeakPolarHBondContact CE1-O 3.13Å; Y33-L95 HydrophobicContact CE2-CB 4.32Å; Y33-L95 HydrophobicContact CE2-CD1 3.81Å; Y33-L95 HydrophobicContact CG-CB 4.29Å; Y33-L95 HydrophobicContact CG-CD1 4.17Å; Y33-L95 HydrophobicContact CG-CD2 3.78Å; Y33-L95 HydrophobicContact CG-CG 4.31Å; Y33-R98 HydrophobicContact CD1-CB 4.35Å; Y33-R98 HydrophobicContact CD1-CG 4.22Å; Y33-V101 HydrophobicContact CD1-CB 4.4Å; Y33-V101 HydrophobicContact CD1-CG1 4.27Å; Y33-V101 HydrophobicContact CD1-CG2 3.9Å; Y33-V101 HydrophobicContact CE1-CG1 4.29Å; Y33-V101 WeakPolarHBondContact O-CG2 3.28Å
34	D	98.1	Very high	96.1	Very high	72 Å²	72	50.3 Å²	50.3	39%	0.385	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-43.8	173.8	-74.6	-18.7	0	0	0	112.3	I30 V32 S38 R98	I30-D34 WeakPolarHBondContact O-CB 3.42Å; I30-D34 PolarHBondContact O-N 3.48Å; V32-D34 VanDerWaalsContact C-N 3.34Å; V32-D34 PolarHBondContact O-N 2.85Å; D34-S38 VanDerWaalsContact O-CB 3.26Å; D34-S38 WeakPolarHBondContact O-CB 3.3Å; D34-S38 PolarHBondContact O-N 3.28Å; D34-S38 PolarHBondContact O-OG 3.33Å; D34-R98 IonicContact OD1-CZ 2.81Å; D34-R98 VanDerWaalsContact OD1-CZ 3.3Å; D34-R98 IonicContact OD1-NH1 2.8Å; D34-R98 PolarHBondContact OD1-NH1 2.84Å; D34-R98 IonicContact OD1-NH2 4Å; D34-R98 PolarHBondContact OD1-NH2 2.85Å
35	R	97.4	Very high	95.9	Very high	164 Å²	164	51.7 Å²	51.7	62%	0.619	30%	0.303	S	S	*	.	H	α-helix	trans	-62.9	-44.4	177.2	-171.4	-173.6	-55.4	171.7	6	111.7	S31 V32 Y33 S38 S39	S31-R35 WeakPolarHBondContact O-CB 3.33Å; S31-R35 PolarHBondContact O-N 3.26Å; V32-R35 PolarHBondContact O-N 3.29Å; Y33-R35 PolarHBondContact O-N 2.62Å; R35-S38 PolarHBondContact O-OG 3.19Å; R35-S39 WeakPolarHBondContact O-CB 3.45Å; R35-S39 PolarHBondContact O-N 3.31Å
36	V	97.5	Very high	95.7	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-67.1	-46.9	178.8	171.3	0	0	0	0	110.6	V32 Y33 S38 S39 V47 M51 V101	V32-V36 WeakPolarHBondContact O-CG2 3.25Å; V32-V36 PolarHBondContact O-N 3.36Å; Y33-V36 PolarHBondContact O-N 3.17Å; V36-S38 VanDerWaalsContact C-N 3.32Å; V36-S38 PolarHBondContact O-N 2.94Å; V36-S39 WeakPolarHBondContact O-CB 3.44Å; V36-S39 PolarHBondContact O-N 3.47Å; V36-S39 PolarHBondContact O-OG 3.41Å; V36-V47 HydrophobicContact CG1-CB 4.41Å; V36-V47 HydrophobicContact CG1-CG1 3.94Å; V36-V47 HydrophobicContact CG1-CG2 4.44Å; V36-M51 HydrophobicContact CB-CE 4.32Å; V36-M51 HydrophobicContact CG1-CE 4.31Å; V36-M51 HydrophobicContact CG2-CE 4.18Å; V36-V101 HydrophobicContact CG1-CG1 4.09Å; V36-V101 HydrophobicContact CG1-CG2 4.48Å
37	G	97	Very high	95.6	Very high	12 Å²	12	51.5 Å²	51.5	12%	0.124	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-38.5	178.5	0	0	0	0	0	113.2	Y33 D100 K104	Y33-G37 PolarHBondContact O-N 2.92Å; G37-D100 WeakPolarHBondContact CA-OD2 3.45Å; G37-K104 WeakPolarHBondContact O-CE 3.47Å
38	S	96	Very high	95.5	Very high	95 Å²	95	47.8 Å²	47.8	66%	0.664	28%	0.279	S	S	*	.	H	α-helix	trans	-90.9	-1.3	179.2	65	0	0	0	0	115.3	D34 R35 V36	D34-S38 VanDerWaalsContact O-CB 3.26Å; D34-S38 WeakPolarHBondContact O-CB 3.3Å; D34-S38 PolarHBondContact O-N 3.28Å; D34-S38 PolarHBondContact O-OG 3.33Å; R35-S38 PolarHBondContact O-OG 3.19Å; V36-S38 VanDerWaalsContact C-N 3.32Å; V36-S38 PolarHBondContact O-N 2.94Å
39	S	92	Very high	95.3	Very high	24 Å²	24	45.9 Å²	45.9	17%	0.168	27%	0.269	C	S	.	.			trans	-57.3	159.5	-179.2	64.5	0	0	0	0	112.6	R35 V36 K104	R35-S39 WeakPolarHBondContact O-CB 3.45Å; R35-S39 PolarHBondContact O-N 3.31Å; V36-S39 WeakPolarHBondContact O-CB 3.44Å; V36-S39 PolarHBondContact O-N 3.47Å; V36-S39 PolarHBondContact O-OG 3.41Å; S39-K104 PolarHBondContact O-NZ 2.83Å
40	G	87.4	Confident	95.1	Very high	53 Å²	53	47.9 Å²	47.9	55%	0.546	28%	0.282	S	S	.	.	S	Bend	trans	-67.9	-132.3	176	0	0	0	0	0	113.4	A42 K104	G40-A42 PolarHBondContact O-N 3.39Å; G40-K104 PolarHBondContact O-NZ 3.14Å
41	P	89.8	Confident	95.1	Very high	108 Å²	108	44.8 Å²	44.8	70%	0.701	27%	0.266	S	S	*	.	S	Bend	trans	-51.1	133.1	172.8	-24.3	33.9	0	0	0	110.9	T43 S46	P41-T43 HydrophobicContact CB-CG2 4.18Å; P41-T43 PolarHBondContact O-N 3.36Å; P41-S46 PolarHBondContact O-OG 2.76Å
42	A	94.2	Very high	95	Very high	18 Å²	18	42.2 Å²	42.2	15%	0.149	25%	0.248	C	C	.	.			trans	-78	103.2	178.6	0	0	0	0	0	108.9	G40 V47 K104 V108	G40-A42 PolarHBondContact O-N 3.39Å; A42-V47 HydrophobicContact CB-CG2 4.1Å; A42-K104 HydrophobicContact CB-CD 3.92Å; A42-V108 HydrophobicContact CB-CG2 3.98Å
43	T	94.4	Very high	94.8	Very high	54 Å²	54	43 Å²	43	33%	0.331	25%	0.251	S	S	.	.			trans	-128.1	177.6	-178.1	75.3	0	0	0	0	110.5	P41 E45 S46 V47	P41-T43 HydrophobicContact CB-CG2 4.18Å; P41-T43 PolarHBondContact O-N 3.36Å; T43-E45 VanDerWaalsContact C-N 3.32Å; T43-E45 WeakPolarHBondContact CB-OE2 3.01Å; T43-E45 PolarHBondContact O-N 2.85Å; T43-E45 PolarHBondContact OG1-N 3.48Å; T43-E45 PolarHBondContact OG1-OE2 3.32Å; T43-S46 PolarHBondContact N-OG 3.17Å; T43-S46 PolarHBondContact OG1-N 3.05Å; T43-S46 PolarHBondContact OG1-OG 3.03Å; T43-V47 WeakPolarHBondContact O-CB 3.45Å; T43-V47 PolarHBondContact O-N 3.48Å; T43-V47 VanDerWaalsContact O-N 3.14Å
44	F	94.2	Very high	94.7	Very high	22 Å²	22	42.5 Å²	42.5	10%	0.096	25%	0.25	C	C	.	.	I	π-helix	trans	-54.2	-49.6	171.1	-179.8	-104.3	0	0	0	111.7	V48 L49 F116 Y120	F44-V48 HydrophobicContact CD2-CB 3.85Å; F44-V48 HydrophobicContact CD2-CG1 3.82Å; F44-V48 HydrophobicContact CE2-CB 4.26Å; F44-V48 HydrophobicContact CE2-CG1 3.8Å; F44-V48 PolarHBondContact O-N 3.43Å; F44-L49 HydrophobicContact CD1-CB 4.31Å; F44-L49 HydrophobicContact CE1-CB 3.89Å; F44-L49 HydrophobicContact CE1-CD1 4.41Å; F44-L49 HydrophobicContact CE1-CD2 4.18Å; F44-L49 HydrophobicContact CE1-CG 4.4Å; F44-L49 HydrophobicContact CZ-CB 4.07Å; F44-L49 HydrophobicContact CZ-CD1 4.29Å; F44-L49 PolarHBondContact O-N 3.47Å; F44-F116 HydrophobicContact CB-CE1 4.25Å; F44-F116 HydrophobicContact CB-CE2 3.87Å; F44-F116 HydrophobicContact CB-CZ 3.6Å; F44-F116 HydrophobicContact CD2-CD1 4.04Å; F44-F116 AromaticContact CD2-CE1 3.7Å; F44-F116 HydrophobicContact CD2-CE1 3.7Å; F44-F116 AromaticContact CD2-CZ 3.95Å; F44-F116 HydrophobicContact CD2-CZ 3.95Å; F44-F116 HydrophobicContact CG-CE1 4.45Å; F44-F116 HydrophobicContact CG-CZ 4.26Å; F44-Y120 AromaticContact CE2-CD1 3.73Å; F44-Y120 HydrophobicContact CE2-CD1 3.73Å; F44-Y120 AromaticContact CE2-CD2 3.67Å; F44-Y120 HydrophobicContact CE2-CD2 3.67Å; F44-Y120 AromaticContact CE2-CE1 3.95Å; F44-Y120 HydrophobicContact CE2-CE1 3.95Å; F44-Y120 AromaticContact CE2-CE2 3.91Å; F44-Y120 HydrophobicContact CE2-CE2 3.91Å; F44-Y120 AromaticContact CE2-CG 3.58Å; F44-Y120 HydrophobicContact CE2-CG 3.58Å; F44-Y120 HydrophobicContact CZ-CD1 4.4Å; F44-Y120 AromaticContact CZ-CD2 3.91Å; F44-Y120 HydrophobicContact CZ-CD2 3.91Å; F44-Y120 HydrophobicContact CZ-CE1 4.21Å; F44-Y120 AromaticContact CZ-CE2 3.72Å; F44-Y120 HydrophobicContact CZ-CE2 3.72Å; F44-Y120 HydrophobicContact CZ-CG 4.26Å; F44-Y120 AromaticContact CZ-CZ 3.87Å
45	E	93	Very high	94.7	Very high	117 Å²	117	40.4 Å²	40.4	55%	0.547	24%	0.238	S	C	.	.	I	π-helix	trans	-72.5	-31.1	-173.7	-58.8	72.2	-158.8	0	0	113.2	T43 P50	T43-E45 VanDerWaalsContact C-N 3.32Å; T43-E45 WeakPolarHBondContact CB-OE2 3.01Å; T43-E45 PolarHBondContact O-N 2.85Å; T43-E45 PolarHBondContact OG1-N 3.48Å; T43-E45 PolarHBondContact OG1-OE2 3.32Å; E45-P50 WeakPolarHBondContact O-CD 3.42Å; E45-P50 WeakPolarHBondContact O-CG 3.3Å
46	S	94.3	Very high	94.6	Very high	32 Å²	32	32.6 Å²	32.6	22%	0.224	21%	0.208	C	C	.	.	I	π-helix	trans	-90.1	-22.8	-176.9	65	0	0	0	0	113.9	P41 T43	P41-S46 PolarHBondContact O-OG 2.76Å; T43-S46 PolarHBondContact N-OG 3.17Å; T43-S46 PolarHBondContact OG1-N 3.05Å; T43-S46 PolarHBondContact OG1-OG 3.03Å
47	V	96.3	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-123.9	-59.2	-173.2	179.4	0	0	0	0	111.7	V36 A42 T43 M51 K104 F105 V108	V36-V47 HydrophobicContact CG1-CB 4.41Å; V36-V47 HydrophobicContact CG1-CG1 3.94Å; V36-V47 HydrophobicContact CG1-CG2 4.44Å; A42-V47 HydrophobicContact CB-CG2 4.1Å; T43-V47 WeakPolarHBondContact O-CB 3.45Å; T43-V47 PolarHBondContact O-N 3.48Å; T43-V47 VanDerWaalsContact O-N 3.14Å; V47-M51 VanDerWaalsContact O-CB 3.22Å; V47-M51 WeakPolarHBondContact O-CB 3.43Å; V47-M51 PolarHBondContact O-N 2.9Å; V47-K104 HydrophobicContact CG1-CB 3.93Å; V47-K104 HydrophobicContact CG2-CB 3.84Å; V47-K104 HydrophobicContact CG2-CD 4.37Å; V47-K104 HydrophobicContact CG2-CG 4.33Å; V47-F105 HydrophobicContact CG1-CD1 4.36Å; V47-F105 HydrophobicContact CG1-CD2 4.22Å; V47-F105 HydrophobicContact CG1-CE1 4.23Å; V47-F105 HydrophobicContact CG1-CE2 4.08Å; V47-F105 HydrophobicContact CG1-CG 4.36Å; V47-F105 HydrophobicContact CG1-CZ 4.09Å; V47-V108 HydrophobicContact CB-CG2 4.1Å; V47-V108 HydrophobicContact CG1-CG2 4.32Å; V47-V108 HydrophobicContact CG2-CG2 4.26Å
48	V	95.9	Very high	94.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-73.8	-52.1	-166.7	177	0	0	0	0	111.6	F44 M51 S52 F105 V108 F116 Y120 Y123 V124	F44-V48 HydrophobicContact CD2-CB 3.85Å; F44-V48 HydrophobicContact CD2-CG1 3.82Å; F44-V48 HydrophobicContact CE2-CB 4.26Å; F44-V48 HydrophobicContact CE2-CG1 3.8Å; F44-V48 PolarHBondContact O-N 3.43Å; V48-M51 PolarHBondContact O-N 2.9Å; V48-S52 WeakPolarHBondContact O-CB 3.34Å; V48-S52 PolarHBondContact O-N 3.2Å; V48-S52 PolarHBondContact O-OG 2.84Å; V48-F105 HydrophobicContact CG2-CE1 4.19Å; V48-V108 HydrophobicContact CG2-CG1 3.83Å; V48-V108 HydrophobicContact CG2-CG2 4.41Å; V48-F116 HydrophobicContact CG2-CE1 4.08Å; V48-Y120 HydrophobicContact CG1-CD1 3.67Å; V48-Y120 HydrophobicContact CG1-CE1 4.15Å; V48-Y123 HydrophobicContact CG1-CD1 3.75Å; V48-Y123 HydrophobicContact CG1-CE1 3.93Å; V48-V124 HydrophobicContact CG1-CG2 4.3Å; V48-V124 HydrophobicContact CG2-CG2 3.6Å
49	L	93.9	Very high	94.5	Very high	31 Å²	31	35.5 Å²	35.5	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-51.5	-178	-179.3	65.8	0	0	0	111.5	F44 M51 S52 L53	F44-L49 HydrophobicContact CD1-CB 4.31Å; F44-L49 HydrophobicContact CE1-CB 3.89Å; F44-L49 HydrophobicContact CE1-CD1 4.41Å; F44-L49 HydrophobicContact CE1-CD2 4.18Å; F44-L49 HydrophobicContact CE1-CG 4.4Å; F44-L49 HydrophobicContact CZ-CB 4.07Å; F44-L49 HydrophobicContact CZ-CD1 4.29Å; F44-L49 PolarHBondContact O-N 3.47Å; L49-M51 VanDerWaalsContact C-N 3.33Å; L49-M51 PolarHBondContact O-N 3.45Å; L49-S52 PolarHBondContact O-N 2.83Å; L49-S52 PolarHBondContact O-OG 2.76Å; L49-L53 HydrophobicContact CD1-CD1 3.99Å; L49-L53 HydrophobicContact CD1-CG 4.09Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.5Å; L49-L53 WeakPolarHBondContact O-CG 3.43Å; L49-L53 PolarHBondContact O-N 3.19Å
50	P	94.4	Very high	94.7	Very high	43 Å²	43	34.5 Å²	34.5	28%	0.279	20%	0.2	S	C	.	.	H	α-helix	trans	-59.4	-41.2	178.8	-24	35	0	0	0	113.2	E45 F54	E45-P50 WeakPolarHBondContact O-CD 3.42Å; E45-P50 WeakPolarHBondContact O-CG 3.3Å; P50-F54 WeakPolarHBondContact O-CB 3.38Å; P50-F54 PolarHBondContact O-N 3.11Å
51	M	96.6	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-45.4	178	-173.2	61.4	71.6	0	0	111.4	Y33 V36 V47 V48 L49 L53 F54 E55 V101 F105 Y123	Y33-M51 HydrophobicContact CD1-CE 4.22Å; Y33-M51 HydrophobicContact CD2-CE 3.88Å; Y33-M51 HydrophobicContact CD2-SD 4.31Å; Y33-M51 HydrophobicContact CE1-CE 4Å; Y33-M51 HydrophobicContact CE2-CE 3.65Å; Y33-M51 HydrophobicContact CE2-SD 3.63Å; Y33-M51 HydrophobicContact CG-CE 4.16Å; V36-M51 HydrophobicContact CB-CE 4.32Å; V36-M51 HydrophobicContact CG1-CE 4.31Å; V36-M51 HydrophobicContact CG2-CE 4.18Å; V47-M51 VanDerWaalsContact O-CB 3.22Å; V47-M51 WeakPolarHBondContact O-CB 3.43Å; V47-M51 PolarHBondContact O-N 2.9Å; V48-M51 PolarHBondContact O-N 2.9Å; L49-M51 VanDerWaalsContact C-N 3.33Å; L49-M51 PolarHBondContact O-N 3.45Å; M51-L53 VanDerWaalsContact C-N 3.33Å; M51-L53 PolarHBondContact O-N 2.66Å; M51-F54 PolarHBondContact O-N 3.04Å; M51-F54 HydrophobicContact SD-CD1 4.09Å; M51-E55 HydrophobicContact CG-CG 4.38Å; M51-E55 WeakPolarHBondContact O-CB 3.36Å; M51-E55 VanDerWaalsContact O-CG 3.29Å; M51-E55 WeakPolarHBondContact O-CG 3.48Å; M51-E55 PolarHBondContact O-N 2.88Å; M51-E55 HydrophobicContact SD-CG 4.39Å; M51-V101 HydrophobicContact CE-CG1 3.95Å; M51-F105 HydrophobicContact CB-CZ 4.11Å; M51-F105 HydrophobicContact CG-CE2 4.27Å; M51-F105 HydrophobicContact CG-CZ 3.98Å; M51-Y123 WeakPolarHBondContact CG-OH 3.5Å
52	S	96.1	Very high	95.5	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.028	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-36.3	-178.9	69.7	0	0	0	0	113.4	V48 L49 A56	V48-S52 WeakPolarHBondContact O-CB 3.34Å; V48-S52 PolarHBondContact O-N 3.2Å; V48-S52 PolarHBondContact O-OG 2.84Å; L49-S52 PolarHBondContact O-N 2.83Å; L49-S52 PolarHBondContact O-OG 2.76Å; S52-A56 PolarHBondContact O-N 2.96Å
53	L	94.9	Very high	95.6	Very high	31 Å²	31	30.4 Å²	30.4	16%	0.162	16%	0.155	C	C	.	.	H	α-helix	trans	-71	-44.7	175.9	-66.6	175.5	0	0	0	111	L49 M51 E55 A56 E57 R417 G418	L49-L53 HydrophobicContact CD1-CD1 3.99Å; L49-L53 HydrophobicContact CD1-CG 4.09Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.5Å; L49-L53 WeakPolarHBondContact O-CG 3.43Å; L49-L53 PolarHBondContact O-N 3.19Å; M51-L53 VanDerWaalsContact C-N 3.33Å; M51-L53 PolarHBondContact O-N 2.66Å; L53-E55 VanDerWaalsContact C-N 3.33Å; L53-E55 PolarHBondContact O-N 3.07Å; L53-A56 WeakPolarHBondContact O-CB 3.37Å; L53-A56 PolarHBondContact O-N 2.98Å; L53-E57 PolarHBondContact O-N 3.06Å; L53-R417 HydrophobicContact CD2-CG 4.23Å; L53-G418 WeakPolarHBondContact CD2-O 3.39Å
54	F	95.8	Very high	95.7	Very high	10 Å²	10	27.8 Å²	27.8	4%	0.044	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-42.5	175.6	165.3	-101.2	0	0	0	112.1	A29 V32 Y33 P50 M51 A56 E57 Y58	A29-F54 VanDerWaalsContact CA-CZ 3.42Å; A29-F54 HydrophobicContact CB-CE1 4.46Å; A29-F54 HydrophobicContact CB-CE2 4.1Å; A29-F54 HydrophobicContact CB-CZ 3.49Å; A29-F54 VanDerWaalsContact CB-CZ 3.49Å; V32-F54 HydrophobicContact CB-CD1 4.48Å; V32-F54 HydrophobicContact CB-CD2 4.05Å; V32-F54 HydrophobicContact CB-CE2 4.41Å; V32-F54 HydrophobicContact CB-CG 4.08Å; V32-F54 HydrophobicContact CG1-CB 3.82Å; V32-F54 HydrophobicContact CG1-CD1 4.05Å; V32-F54 HydrophobicContact CG1-CD2 4.18Å; V32-F54 HydrophobicContact CG1-CG 3.71Å; V32-F54 HydrophobicContact CG2-CB 4.44Å; V32-F54 HydrophobicContact CG2-CD2 3.69Å; V32-F54 HydrophobicContact CG2-CE2 4.22Å; V32-F54 HydrophobicContact CG2-CG 4.09Å; Y33-F54 HydrophobicContact CD2-CE1 4.33Å; Y33-F54 HydrophobicContact CE2-CD1 4.32Å; Y33-F54 AromaticContact CE2-CE1 3.84Å; Y33-F54 HydrophobicContact CE2-CE1 3.84Å; P50-F54 WeakPolarHBondContact O-CB 3.38Å; P50-F54 PolarHBondContact O-N 3.11Å; M51-F54 PolarHBondContact O-N 3.04Å; M51-F54 HydrophobicContact SD-CD1 4.09Å; F54-A56 VanDerWaalsContact C-N 3.26Å; F54-A56 PolarHBondContact O-N 2.67Å; F54-E57 PolarHBondContact O-N 2.79Å; F54-Y58 HydrophobicContact CE1-CD2 4.28Å; F54-Y58 HydrophobicContact CE1-CG 4.16Å; F54-Y58 HydrophobicContact CE2-CD2 4.06Å; F54-Y58 HydrophobicContact CE2-CG 4.35Å; F54-Y58 AromaticContact CZ-CD2 3.47Å; F54-Y58 HydrophobicContact CZ-CD2 3.47Å; F54-Y58 VanDerWaalsContact CZ-CD2 3.47Å; F54-Y58 HydrophobicContact CZ-CE2 4.4Å; F54-Y58 AromaticContact CZ-CG 3.72Å; F54-Y58 HydrophobicContact CZ-CG 3.72Å; F54-Y58 WeakPolarHBondContact O-CB 3.33Å; F54-Y58 PolarHBondContact O-N 2.81Å
55	E	96.7	Very high	95.8	Very high	28 Å²	28	26.8 Å²	26.8	13%	0.131	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-36.9	178.6	-76.1	169.4	168.6	0	0	112.2	M51 L53 Q59 Y123 K127	M51-E55 HydrophobicContact CG-CG 4.38Å; M51-E55 WeakPolarHBondContact O-CB 3.36Å; M51-E55 VanDerWaalsContact O-CG 3.29Å; M51-E55 WeakPolarHBondContact O-CG 3.48Å; M51-E55 PolarHBondContact O-N 2.88Å; M51-E55 HydrophobicContact SD-CG 4.39Å; L53-E55 VanDerWaalsContact C-N 3.33Å; L53-E55 PolarHBondContact O-N 3.07Å; E55-Q59 WeakPolarHBondContact O-CB 3.43Å; E55-Q59 PolarHBondContact O-N 3.37Å; E55-Y123 PolarHBondContact OE1-OH 3.11Å; E55-Y123 VanDerWaalsContact OE1-OH 3.12Å; E55-Y123 WeakPolarHBondContact OE2-CE2 3.29Å; E55-Y123 VanDerWaalsContact OE2-CZ 3.31Å; E55-Y123 PolarHBondContact OE2-OH 2.94Å; E55-K127 IonicContact OE1-NZ 3.88Å; E55-K127 PolarHBondContact OE1-NZ 3.25Å
56	A	95.8	Very high	95.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-66	-44.5	175.9	0	0	0	0	0	112.6	S52 L53 F54 T60 C416 A490	S52-A56 PolarHBondContact O-N 2.96Å; L53-A56 WeakPolarHBondContact O-CB 3.37Å; L53-A56 PolarHBondContact O-N 2.98Å; F54-A56 VanDerWaalsContact C-N 3.26Å; F54-A56 PolarHBondContact O-N 2.67Å; A56-T60 PolarHBondContact O-N 3.26Å; A56-T60 PolarHBondContact O-OG1 3.35Å; A56-C416 WeakPolarHBondContact CB-SG 3.45Å; A56-A490 HydrophobicContact CB-CB 4.09Å
57	E	94.3	Very high	96	Very high	78 Å²	78	21.1 Å²	21.1	36%	0.364	11%	0.105	S	C	.	.	H	α-helix	trans	-66.7	-48	177.2	-67.6	174	-174.9	0	0	111.1	L53 F54 T60 E61 S419	L53-E57 PolarHBondContact O-N 3.06Å; F54-E57 PolarHBondContact O-N 2.79Å; E57-T60 PolarHBondContact O-N 2.92Å; E57-E61 PolarHBondContact O-N 2.75Å; E57-E61 VanDerWaalsContact O-N 3.11Å; E57-S419 WeakPolarHBondContact OE1-CB 3.25Å
58	Y	97	Very high	96	Very high	19 Å²	19	21.3 Å²	21.3	8%	0.075	11%	0.106	C	C	.	.	H	α-helix	trans	-59.6	-48.9	-179.5	179	-91	0	0	0	111.5	L25 A29 F54 T60 E61 K62 M91 E92	L25-Y58 HydrophobicContact CD1-CD2 3.48Å; L25-Y58 VanDerWaalsContact CD1-CD2 3.48Å; L25-Y58 HydrophobicContact CD1-CE2 3.9Å; L25-Y58 HydrophobicContact CD1-CG 4.33Å; L25-Y58 HydrophobicContact CD2-CD2 4.24Å; L25-Y58 HydrophobicContact CD2-CE2 3.95Å; L25-Y58 HydrophobicContact CG-CD2 3.83Å; L25-Y58 HydrophobicContact CG-CE2 3.68Å; A29-Y58 HydrophobicContact CB-CD2 4.11Å; A29-Y58 HydrophobicContact CB-CE2 3.99Å; F54-Y58 HydrophobicContact CE1-CD2 4.28Å; F54-Y58 HydrophobicContact CE1-CG 4.16Å; F54-Y58 HydrophobicContact CE2-CD2 4.06Å; F54-Y58 HydrophobicContact CE2-CG 4.35Å; F54-Y58 AromaticContact CZ-CD2 3.47Å; F54-Y58 HydrophobicContact CZ-CD2 3.47Å; F54-Y58 VanDerWaalsContact CZ-CD2 3.47Å; F54-Y58 HydrophobicContact CZ-CE2 4.4Å; F54-Y58 AromaticContact CZ-CG 3.72Å; F54-Y58 HydrophobicContact CZ-CG 3.72Å; F54-Y58 WeakPolarHBondContact O-CB 3.33Å; F54-Y58 PolarHBondContact O-N 2.81Å; Y58-T60 VanDerWaalsContact C-N 3.27Å; Y58-T60 PolarHBondContact O-N 3.06Å; Y58-E61 PolarHBondContact O-N 3.48Å; Y58-K62 HydrophobicContact CE1-CB 4.25Å; Y58-K62 HydrophobicContact CE1-CD 3.85Å; Y58-K62 VanDerWaalsContact O-CB 3.24Å; Y58-K62 WeakPolarHBondContact O-CB 3.38Å; Y58-K62 PolarHBondContact O-N 3.14Å; Y58-M91 HydrophobicContact CE2-CE 3.73Å; Y58-M91 WeakPolarHBondContact OH-CE 3Å; Y58-E92 HydrophobicContact CE1-CG 4.26Å; Y58-E92 VanDerWaalsContact CE1-OE1 3.27Å; Y58-E92 WeakPolarHBondContact CE1-OE1 3.43Å; Y58-E92 VanDerWaalsContact OH-CG 3.25Å; Y58-E92 WeakPolarHBondContact OH-CG 3.48Å; Y58-E92 PolarHBondContact OH-OE1 3.45Å
59	Q	96.6	Very high	96	Very high	72 Å²	72	22 Å²	22	34%	0.336	11%	0.109	S	C	.	.	H	α-helix	trans	-59.1	-41.1	179.1	-174.7	65.5	48.5	0	0	111.5	E55 N63 P414	E55-Q59 WeakPolarHBondContact O-CB 3.43Å; E55-Q59 PolarHBondContact O-N 3.37Å; Q59-N63 VanDerWaalsContact NE2-CG 3.32Å; Q59-N63 PolarHBondContact NE2-ND2 2.89Å; Q59-N63 PolarHBondContact NE2-OD1 3.2Å; Q59-N63 VanDerWaalsContact O-CB 3.22Å; Q59-N63 WeakPolarHBondContact O-CB 3.47Å; Q59-N63 PolarHBondContact O-N 3.39Å; Q59-N63 PolarHBondContact O-ND2 2.77Å; Q59-N63 VanDerWaalsContact O-ND2 3.13Å; Q59-P414 HydrophobicContact CB-CG 4.49Å
60	T	96.5	Very high	96	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.025	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-48	-178.9	-54.7	0	0	0	0	111.7	L8 L9 A56 E57 Y58 N63 A64 Q413 Q442	L8-T60 HydrophobicContact CB-CG2 3.92Å; L9-T60 HydrophobicContact CD2-CG2 3.83Å; A56-T60 PolarHBondContact O-N 3.26Å; A56-T60 PolarHBondContact O-OG1 3.35Å; E57-T60 PolarHBondContact O-N 2.92Å; Y58-T60 VanDerWaalsContact C-N 3.27Å; Y58-T60 PolarHBondContact O-N 3.06Å; T60-N63 PolarHBondContact O-N 2.98Å; T60-A64 PolarHBondContact O-N 2.78Å; T60-A64 VanDerWaalsContact O-N 3.07Å; T60-Q413 HydrophobicContact CG2-CB 4.03Å; T60-Q413 HydrophobicContact CG2-CG 3.77Å; T60-Q442 PolarHBondContact OG1-NE2 3.11Å
61	E	96.6	Very high	96.1	Very high	46 Å²	46	19 Å²	19	22%	0.215	9%	0.091	C	C	.	.	H	α-helix	trans	-70.4	-40.8	179.5	-176.2	62.3	-172.8	0	0	111.9	R21 L25 E57 Y58 N63 A64 I65	R21-E61 IonicContact CZ-OE1 3.32Å; R21-E61 VanDerWaalsContact CZ-OE1 3.22Å; R21-E61 IonicContact CZ-OE2 3.34Å; R21-E61 IonicContact NE-OE1 3.87Å; R21-E61 PolarHBondContact NE-OE1 3.25Å; R21-E61 IonicContact NE-OE2 2.76Å; R21-E61 IonicContact NH2-OE1 2.99Å; R21-E61 PolarHBondContact NH2-OE1 2.68Å; R21-E61 IonicContact NH2-OE2 3.03Å; R21-E61 PolarHBondContact NH2-OE2 3.27Å; L25-E61 HydrophobicContact CD1-CB 4.07Å; L25-E61 HydrophobicContact CD1-CG 4.06Å; L25-E61 HydrophobicContact CD2-CB 4.24Å; L25-E61 HydrophobicContact CD2-CG 4.01Å; L25-E61 HydrophobicContact CG-CG 4.42Å; E57-E61 PolarHBondContact O-N 2.75Å; E57-E61 VanDerWaalsContact O-N 3.11Å; Y58-E61 PolarHBondContact O-N 3.48Å; E61-N63 VanDerWaalsContact C-N 3.34Å; E61-N63 PolarHBondContact O-N 2.92Å; E61-A64 PolarHBondContact O-N 3.13Å; E61-I65 HydrophobicContact CG-CD1 4.27Å; E61-I65 WeakPolarHBondContact O-CG1 3.41Å; E61-I65 PolarHBondContact O-N 3.48Å; E61-I65 VanDerWaalsContact O-N 3.17Å
62	K	97.2	Very high	96	Very high	28 Å²	28	19.2 Å²	19.2	12%	0.122	9%	0.092	C	C	.	.	H	α-helix	trans	-55.5	-50.5	172.6	174.4	177.5	-176.3	-65.1	0	110.6	L25 Y58 A64 I65 D66 L88 E92	L25-K62 HydrophobicContact CD2-CB 4.18Å; Y58-K62 HydrophobicContact CE1-CB 4.25Å; Y58-K62 HydrophobicContact CE1-CD 3.85Å; Y58-K62 VanDerWaalsContact O-CB 3.24Å; Y58-K62 WeakPolarHBondContact O-CB 3.38Å; Y58-K62 PolarHBondContact O-N 3.14Å; K62-A64 VanDerWaalsContact C-N 3.32Å; K62-A64 PolarHBondContact O-N 3.43Å; K62-I65 PolarHBondContact O-N 2.85Å; K62-I65 VanDerWaalsContact O-N 3.11Å; K62-D66 IonicContact NZ-OD2 2.97Å; K62-D66 PolarHBondContact NZ-OD2 3.43Å; K62-D66 WeakPolarHBondContact O-CB 3.33Å; K62-D66 PolarHBondContact O-N 3.29Å; K62-L88 HydrophobicContact CG-CD1 4.25Å; K62-E92 WeakPolarHBondContact CD-OE1 3.3Å; K62-E92 WeakPolarHBondContact CE-OE1 3.49Å
63	N	97.2	Very high	95.9	Very high	18 Å²	18	21.3 Å²	21.3	10%	0.096	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-39.3	-179.4	-75.3	-20.9	0	0	0	112.4	Q59 T60 E61 I65 F67 G411 L412	Q59-N63 VanDerWaalsContact NE2-CG 3.32Å; Q59-N63 PolarHBondContact NE2-ND2 2.89Å; Q59-N63 PolarHBondContact NE2-OD1 3.2Å; Q59-N63 VanDerWaalsContact O-CB 3.22Å; Q59-N63 WeakPolarHBondContact O-CB 3.47Å; Q59-N63 PolarHBondContact O-N 3.39Å; Q59-N63 PolarHBondContact O-ND2 2.77Å; Q59-N63 VanDerWaalsContact O-ND2 3.13Å; T60-N63 PolarHBondContact O-N 2.98Å; E61-N63 VanDerWaalsContact C-N 3.34Å; E61-N63 PolarHBondContact O-N 2.92Å; N63-I65 PolarHBondContact O-N 2.84Å; N63-F67 WeakPolarHBondContact O-CB 3.41Å; N63-F67 PolarHBondContact O-N 3.23Å; N63-G411 PolarHBondContact ND2-O 2.81Å; N63-L412 HydrophobicContact CB-CD2 4.38Å; N63-L412 WeakPolarHBondContact CB-O 3.38Å; N63-L412 PolarHBondContact ND2-O 3.32Å
64	A	96.2	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-32.3	176.4	0	0	0	0	0	112.6	L9 T60 E61 K62	L9-A64 HydrophobicContact CD2-CB 4.04Å; T60-A64 PolarHBondContact O-N 2.78Å; T60-A64 VanDerWaalsContact O-N 3.07Å; E61-A64 PolarHBondContact O-N 3.13Å; K62-A64 VanDerWaalsContact C-N 3.32Å; K62-A64 PolarHBondContact O-N 3.43Å
65	I	96.7	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-79.9	-52.2	177	-68.4	165.9	0	0	0	111.3	I18 R21 L25 E61 K62 N63 S81 A84 L88	I18-I65 HydrophobicContact CG2-CG2 4.16Å; R21-I65 HydrophobicContact CB-CD1 4Å; R21-I65 HydrophobicContact CB-CG1 4.46Å; L25-I65 HydrophobicContact CD2-CD1 4.23Å; E61-I65 HydrophobicContact CG-CD1 4.27Å; E61-I65 WeakPolarHBondContact O-CG1 3.41Å; E61-I65 PolarHBondContact O-N 3.48Å; E61-I65 VanDerWaalsContact O-N 3.17Å; K62-I65 PolarHBondContact O-N 2.85Å; K62-I65 VanDerWaalsContact O-N 3.11Å; N63-I65 PolarHBondContact O-N 2.84Å; I65-S81 WeakPolarHBondContact O-CB 3.47Å; I65-S81 PolarHBondContact O-OG 3.22Å; I65-A84 HydrophobicContact CG2-CB 3.47Å; I65-A84 VanDerWaalsContact CG2-CB 3.47Å; I65-L88 HydrophobicContact CG2-CD1 4.29Å
66	D	95	Very high	95.9	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.139	16%	0.164	C	C	.	.	H	α-helix	trans	-64.4	-47.7	-174.3	176.1	-12	0	0	0	111.8	K62 L68 Q69 H70 S81	K62-D66 IonicContact NZ-OD2 2.97Å; K62-D66 PolarHBondContact NZ-OD2 3.43Å; K62-D66 WeakPolarHBondContact O-CB 3.33Å; K62-D66 PolarHBondContact O-N 3.29Å; D66-L68 PolarHBondContact O-N 3.24Å; D66-Q69 VanDerWaalsContact O-CG 3.25Å; D66-Q69 WeakPolarHBondContact O-CG 3.42Å; D66-Q69 PolarHBondContact O-N 3.39Å; D66-Q69 VanDerWaalsContact O-N 3.11Å; D66-Q69 PolarHBondContact O-NE2 3.34Å; D66-Q69 PolarHBondContact OD1-NE2 3.05Å; D66-H70 IonicContact OD1-NE2 3.78Å; D66-S81 PolarHBondContact O-OG 2.7Å
67	F	96.6	Very high	95.9	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.018	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.6	-172.6	-177.2	-120.8	0	0	0	113.4	W11 N63 Q69 H70 I71 W372 F410 L412 A447 V449	W11-F67 HydrophobicContact CH2-CB 4.42Å; W11-F67 AromaticContact CH2-CD1 3.44Å; W11-F67 HydrophobicContact CH2-CD1 3.44Å; W11-F67 VanDerWaalsContact CH2-CD1 3.44Å; W11-F67 HydrophobicContact CH2-CE1 4.1Å; W11-F67 HydrophobicContact CH2-CG 4.32Å; W11-F67 HydrophobicContact CZ2-CD1 4.36Å; W11-F67 HydrophobicContact CZ3-CB 4.21Å; W11-F67 AromaticContact CZ3-CD1 3.58Å; W11-F67 HydrophobicContact CZ3-CD1 3.58Å; W11-F67 HydrophobicContact CZ3-CE1 4.48Å; W11-F67 HydrophobicContact CZ3-CG 4.38Å; N63-F67 WeakPolarHBondContact O-CB 3.41Å; N63-F67 PolarHBondContact O-N 3.23Å; F67-Q69 PolarHBondContact O-N 3.43Å; F67-H70 WeakPolarHBondContact O-CB 3Å; F67-H70 PolarHBondContact O-N 3.24Å; F67-I71 HydrophobicContact CD1-CD1 4.45Å; F67-I71 HydrophobicContact CD1-CG1 3.72Å; F67-I71 HydrophobicContact CE1-CB 4.43Å; F67-I71 HydrophobicContact CE1-CD1 4.47Å; F67-I71 HydrophobicContact CE1-CG1 3.5Å; F67-I71 VanDerWaalsContact CE1-CG1 3.5Å; F67-I71 HydrophobicContact CE1-CG2 4.08Å; F67-I71 HydrophobicContact CE2-CG1 4.41Å; F67-I71 HydrophobicContact CE2-CG2 3.83Å; F67-I71 HydrophobicContact CG-CG1 4.32Å; F67-I71 HydrophobicContact CZ-CB 4.38Å; F67-I71 HydrophobicContact CZ-CG1 3.88Å; F67-I71 HydrophobicContact CZ-CG2 3.55Å; F67-W372 HydrophobicContact CE1-CD2 4.35Å; F67-W372 HydrophobicContact CE1-CE3 4.15Å; F67-W372 AromaticContact CE1-CH2 3.52Å; F67-W372 HydrophobicContact CE1-CH2 3.52Å; F67-W372 AromaticContact CE1-CZ2 3.7Å; F67-W372 HydrophobicContact CE1-CZ2 3.7Å; F67-W372 AromaticContact CE1-CZ3 3.76Å; F67-W372 HydrophobicContact CE1-CZ3 3.76Å; F67-W372 HydrophobicContact CZ-CH2 4.06Å; F67-W372 AromaticContact CZ-CZ2 3.98Å; F67-W372 HydrophobicContact CZ-CZ2 3.98Å; F67-F410 HydrophobicContact CD2-CB 3.96Å; F67-F410 AromaticContact CD2-CD1 3.68Å; F67-F410 HydrophobicContact CD2-CD1 3.68Å; F67-F410 HydrophobicContact CD2-CD2 4.2Å; F67-F410 HydrophobicContact CD2-CE1 4.19Å; F67-F410 AromaticContact CD2-CG 3.67Å; F67-F410 HydrophobicContact CD2-CG 3.67Å; F67-F410 HydrophobicContact CE2-CB 3.74Å; F67-F410 AromaticContact CE2-CD1 3.8Å; F67-F410 HydrophobicContact CE2-CD1 3.8Å; F67-F410 AromaticContact CE2-CD2 3.44Å; F67-F410 HydrophobicContact CE2-CD2 3.44Å; F67-F410 VanDerWaalsContact CE2-CD2 3.44Å; F67-F410 HydrophobicContact CE2-CE1 4.24Å; F67-F410 AromaticContact CE2-CE2 3.92Å; F67-F410 HydrophobicContact CE2-CE2 3.92Å; F67-F410 AromaticContact CE2-CG 3.36Å; F67-F410 HydrophobicContact CE2-CG 3.36Å; F67-F410 HydrophobicContact CE2-CZ 4.29Å; F67-F410 HydrophobicContact CZ-CB 4.49Å; F67-F410 HydrophobicContact CZ-CD2 4.31Å; F67-F410 HydrophobicContact CZ-CG 4.41Å; F67-L412 HydrophobicContact CB-CD2 4.03Å; F67-L412 HydrophobicContact CD1-CD2 3.94Å; F67-L412 HydrophobicContact CD2-CD2 4.16Å; F67-L412 HydrophobicContact CE1-CD1 4.43Å; F67-L412 HydrophobicContact CE1-CD2 4.4Å; F67-L412 HydrophobicContact CG-CD2 3.78Å; F67-A447 HydrophobicContact CE1-CB 4.05Å; F67-A447 HydrophobicContact CE2-CB 4.47Å; F67-A447 HydrophobicContact CZ-CB 3.65Å; F67-V449 HydrophobicContact CE2-CG2 4.02Å; F67-V449 HydrophobicContact CZ-CG2 3.75Å
68	L	96.3	Very high	96	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-31.7	179.7	-69.6	174.6	0	0	0	113.4	W11 I18 D66 H70 I71 S72 I77	W11-L68 HydrophobicContact CE3-CD2 4Å; W11-L68 HydrophobicContact CE3-CG 4.49Å; I18-L68 HydrophobicContact CD1-CD1 3.84Å; I18-L68 HydrophobicContact CG1-CD1 4.29Å; D66-L68 PolarHBondContact O-N 3.24Å; L68-H70 PolarHBondContact O-N 3.48Å; L68-I71 HydrophobicContact CD2-CD1 3.87Å; L68-I71 PolarHBondContact O-N 2.64Å; L68-S72 WeakPolarHBondContact O-CB 3.33Å; L68-S72 PolarHBondContact O-N 2.92Å; L68-I77 HydrophobicContact CB-CG2 4.13Å; L68-I77 HydrophobicContact CD1-CG2 4.11Å
69	Q	95	Very high	95.9	Very high	14 Å²	14	31.8 Å²	31.8	7%	0.065	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-19	177.4	81.3	-171.6	-65.1	0	0	113.1	D66 F67 R78 S81 C82 T85	D66-Q69 VanDerWaalsContact O-CG 3.25Å; D66-Q69 WeakPolarHBondContact O-CG 3.42Å; D66-Q69 PolarHBondContact O-N 3.39Å; D66-Q69 VanDerWaalsContact O-N 3.11Å; D66-Q69 PolarHBondContact O-NE2 3.34Å; D66-Q69 PolarHBondContact OD1-NE2 3.05Å; F67-Q69 PolarHBondContact O-N 3.43Å; Q69-R78 WeakPolarHBondContact O-CD 3.44Å; Q69-S81 WeakPolarHBondContact CB-OG 3.49Å; Q69-S81 PolarHBondContact N-OG 2.97Å; Q69-C82 HydrophobicContact CB-CB 4.43Å; Q69-T85 PolarHBondContact NE2-OG1 2.83Å
70	H	94.6	Very high	96	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-99.1	-18.6	-177.3	-60.2	-33.8	0	0	0	113.7	D66 F67 L68 Q161 K403 Y404 F410	D66-H70 IonicContact OD1-NE2 3.78Å; F67-H70 WeakPolarHBondContact O-CB 3Å; F67-H70 PolarHBondContact O-N 3.24Å; L68-H70 PolarHBondContact O-N 3.48Å; H70-Q161 VanDerWaalsContact CE1-CD 3.49Å; H70-Q161 PolarHBondContact CE1-NE2 3.47Å; H70-Q161 PolarHBondContact ND1-NE2 2.63Å; H70-Q161 PolarHBondContact NE2-NE2 3.5Å; H70-K403 CarbonylContact O-C 3.47Å; H70-K403 VanDerWaalsContact O-CA 3.28Å; H70-K403 WeakPolarHBondContact O-CA 3.35Å; H70-Y404 PolarHBondContact O-N 3.05Å; H70-F410 AromaticContact CD2-CE1 3.61Å
71	I	95.4	Very high	96	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-132.3	-16.7	-170.6	58.7	56.9	0	0	0	115.3	F67 L68 W372 V449	F67-I71 HydrophobicContact CD1-CD1 4.45Å; F67-I71 HydrophobicContact CD1-CG1 3.72Å; F67-I71 HydrophobicContact CE1-CB 4.43Å; F67-I71 HydrophobicContact CE1-CD1 4.47Å; F67-I71 HydrophobicContact CE1-CG1 3.5Å; F67-I71 VanDerWaalsContact CE1-CG1 3.5Å; F67-I71 HydrophobicContact CE1-CG2 4.08Å; F67-I71 HydrophobicContact CE2-CG1 4.41Å; F67-I71 HydrophobicContact CE2-CG2 3.83Å; F67-I71 HydrophobicContact CG-CG1 4.32Å; F67-I71 HydrophobicContact CZ-CB 4.38Å; F67-I71 HydrophobicContact CZ-CG1 3.88Å; F67-I71 HydrophobicContact CZ-CG2 3.55Å; L68-I71 HydrophobicContact CD2-CD1 3.87Å; L68-I71 PolarHBondContact O-N 2.64Å; I71-W372 HydrophobicContact CB-CG 4.41Å; I71-W372 HydrophobicContact CD1-CB 3.57Å; I71-W372 VanDerWaalsContact CD1-CD1 3.42Å; I71-W372 HydrophobicContact CD1-CD2 3.78Å; I71-W372 HydrophobicContact CD1-CG 3.29Å; I71-W372 HydrophobicContact CG1-CD2 3.94Å; I71-W372 HydrophobicContact CG1-CG 3.88Å; I71-V449 HydrophobicContact CG2-CG1 4.3Å; I71-V449 HydrophobicContact CG2-CG2 4.17Å
72	S	95.5	Very high	96	Very high	5 Å²	5	26.6 Å²	26.6	4%	0.035	14%	0.136	C	C	.	.			trans	-69.9	129.4	-170.8	-179.6	0	0	0	0	110.6	L68 Y74 I77 R78	L68-S72 WeakPolarHBondContact O-CB 3.33Å; L68-S72 PolarHBondContact O-N 2.92Å; S72-Y74 PolarHBondContact O-N 2.83Å; S72-Y74 PolarHBondContact OG-N 2.77Å; S72-I77 WeakPolarHBondContact OG-CB 3.32Å; S72-I77 WeakPolarHBondContact OG-CG2 3.42Å; S72-R78 WeakPolarHBondContact O-CD 3.22Å; S72-R78 WeakPolarHBondContact O-CG 3.35Å; S72-R78 PolarHBondContact O-NH1 3.28Å
73	P	94.3	Very high	96	Very high	49 Å²	49	29.2 Å²	29.2	32%	0.318	15%	0.151	S	C	.	.	S	Bend	trans	-66.9	-17.7	175.7	28.9	-34.5	0	0	0	111.9
74	Y	95.2	Very high	96	Very high	163 Å²	163	28.5 Å²	28.5	64%	0.639	15%	0.148	S	C	*	.			trans	-97.2	116.1	-177.1	-54.7	-67.3	0	0	0	111.5	S72 A76 I77 R78	S72-Y74 PolarHBondContact O-N 2.83Å; S72-Y74 PolarHBondContact OG-N 2.77Å; Y74-A76 VanDerWaalsContact C-N 3.3Å; Y74-A76 PolarHBondContact O-N 3.01Å; Y74-I77 WeakPolarHBondContact O-CB 3.19Å; Y74-I77 PolarHBondContact O-N 3.28Å; Y74-R78 PolarHBondContact O-N 2.97Å; Y74-R78 VanDerWaalsContact O-N 3.1Å
75	K	94.9	Very high	96	Very high	99 Å²	99	29 Å²	29	43%	0.43	15%	0.151	S	C	.	.	H	α-helix	trans	-54.4	-43.3	-179.6	-168.9	-172.8	-172.2	-45.6	0	113.1	I77 R78 D79 E166	K75-I77 VanDerWaalsContact C-N 3.25Å; K75-I77 PolarHBondContact O-N 2.72Å; K75-R78 PolarHBondContact O-N 3.33Å; K75-R78 VanDerWaalsContact O-N 3.09Å; K75-D79 IonicContact NZ-OD1 3.39Å; K75-D79 PolarHBondContact NZ-OD1 2.78Å; K75-D79 IonicContact NZ-OD2 2.88Å; K75-D79 PolarHBondContact NZ-OD2 2.97Å; K75-D79 PolarHBondContact O-N 3.04Å; K75-E166 WeakPolarHBondContact CE-OE2 3.36Å; K75-E166 IonicContact NZ-OE2 2.73Å
76	A	96.8	Very high	96	Very high	59 Å²	59	30.9 Å²	30.9	49%	0.488	16%	0.158	S	C	.	.	H	α-helix	trans	-60.1	-35.1	179.5	0	0	0	0	0	112.9	V15 Y74 A80	V15-A76 HydrophobicContact CG2-CB 4.11Å; Y74-A76 VanDerWaalsContact C-N 3.3Å; Y74-A76 PolarHBondContact O-N 3.01Å; A76-A80 WeakPolarHBondContact O-CB 3.17Å; A76-A80 PolarHBondContact O-N 2.87Å; A76-A80 VanDerWaalsContact O-N 3.08Å
77	I	96.7	Very high	96.2	Very high	20 Å²	20	34.3 Å²	34.3	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-71.9	-41	175.4	-63.9	-58.4	0	0	0	110.6	G13 V15 I18 L68 S72 Y74 K75 A80 S81	G13-I77 VanDerWaalsContact O-CD1 3.27Å; G13-I77 WeakPolarHBondContact O-CD1 3.33Å; V15-I77 HydrophobicContact CG2-CD1 4.06Å; I18-I77 HydrophobicContact CD1-CD1 4.23Å; I18-I77 HydrophobicContact CD1-CG2 3.93Å; L68-I77 HydrophobicContact CB-CG2 4.13Å; L68-I77 HydrophobicContact CD1-CG2 4.11Å; S72-I77 WeakPolarHBondContact OG-CB 3.32Å; S72-I77 WeakPolarHBondContact OG-CG2 3.42Å; Y74-I77 WeakPolarHBondContact O-CB 3.19Å; Y74-I77 PolarHBondContact O-N 3.28Å; K75-I77 VanDerWaalsContact C-N 3.25Å; K75-I77 PolarHBondContact O-N 2.72Å; I77-A80 PolarHBondContact O-N 3.34Å; I77-S81 VanDerWaalsContact O-CB 3.27Å; I77-S81 WeakPolarHBondContact O-CB 3.44Å; I77-S81 PolarHBondContact O-N 2.76Å
78	R	95.6	Very high	96.3	Very high	9 Å²	9	34.1 Å²	34.1	3%	0.034	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-45.1	175.3	-63.7	-163.5	-55.8	-86	4.2	112.3	Q69 S72 Y74 K75 S81 C82 E166 G402	Q69-R78 WeakPolarHBondContact O-CD 3.44Å; S72-R78 WeakPolarHBondContact O-CD 3.22Å; S72-R78 WeakPolarHBondContact O-CG 3.35Å; S72-R78 PolarHBondContact O-NH1 3.28Å; Y74-R78 PolarHBondContact O-N 2.97Å; Y74-R78 VanDerWaalsContact O-N 3.1Å; K75-R78 PolarHBondContact O-N 3.33Å; K75-R78 VanDerWaalsContact O-N 3.09Å; R78-S81 PolarHBondContact O-N 3.49Å; R78-C82 WeakPolarHBondContact O-CB 3.48Å; R78-C82 PolarHBondContact O-N 3.19Å; R78-E166 IonicContact CZ-OE1 3.03Å; R78-E166 IonicContact NE-OE1 3.72Å; R78-E166 PolarHBondContact NE-OE1 3.41Å; R78-E166 IonicContact NH2-OE1 2.66Å; R78-E166 PolarHBondContact NH2-OE1 2.8Å; R78-E166 VanDerWaalsContact NH2-OE1 3.11Å; R78-E166 IonicContact NH2-OE2 2.87Å; R78-G402 WeakPolarHBondContact CD-O 3.39Å
79	D	95.9	Very high	96.3	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.193	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-46.5	177.6	-72.2	-35.5	0	0	0	110.6	K75 S81 C82 D83 R162	K75-D79 IonicContact NZ-OD1 3.39Å; K75-D79 PolarHBondContact NZ-OD1 2.78Å; K75-D79 IonicContact NZ-OD2 2.88Å; K75-D79 PolarHBondContact NZ-OD2 2.97Å; K75-D79 PolarHBondContact O-N 3.04Å; D79-S81 PolarHBondContact O-N 3.36Å; D79-C82 WeakPolarHBondContact O-CB 3.33Å; D79-C82 PolarHBondContact O-N 3.08Å; D79-D83 PolarHBondContact O-N 2.54Å; D79-R162 IonicContact OD1-CZ 2.62Å; D79-R162 IonicContact OD1-NH2 3.37Å; D79-R162 PolarHBondContact OD1-NH2 3.44Å
80	A	97	Very high	96.4	Very high	10 Å²	10	36.2 Å²	36.2	8%	0.083	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-39.5	177.5	0	0	0	0	0	113.3	V15 I18 A76 I77 D83 A84	V15-A80 HydrophobicContact CB-CB 4.36Å; V15-A80 HydrophobicContact CG1-CB 3.9Å; V15-A80 HydrophobicContact CG2-CB 4.18Å; I18-A80 HydrophobicContact CD1-CB 4.18Å; I18-A80 HydrophobicContact CG2-CB 4.34Å; A76-A80 WeakPolarHBondContact O-CB 3.17Å; A76-A80 PolarHBondContact O-N 2.87Å; A76-A80 VanDerWaalsContact O-N 3.08Å; I77-A80 PolarHBondContact O-N 3.34Å; A80-D83 PolarHBondContact O-N 3.04Å; A80-A84 WeakPolarHBondContact O-CB 3.26Å; A80-A84 PolarHBondContact O-N 3.43Å
81	S	96.9	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-39.7	175.1	171.5	0	0	0	0	112	I65 D66 Q69 I77 R78 D79 A84 T85	I65-S81 WeakPolarHBondContact O-CB 3.47Å; I65-S81 PolarHBondContact O-OG 3.22Å; D66-S81 PolarHBondContact O-OG 2.7Å; Q69-S81 WeakPolarHBondContact CB-OG 3.49Å; Q69-S81 PolarHBondContact N-OG 2.97Å; I77-S81 VanDerWaalsContact O-CB 3.27Å; I77-S81 WeakPolarHBondContact O-CB 3.44Å; I77-S81 PolarHBondContact O-N 2.76Å; R78-S81 PolarHBondContact O-N 3.49Å; D79-S81 PolarHBondContact O-N 3.36Å; S81-A84 PolarHBondContact O-N 3.23Å; S81-T85 WeakPolarHBondContact O-CB 2.94Å; S81-T85 PolarHBondContact O-N 2.97Å; S81-T85 PolarHBondContact O-OG1 2.98Å
82	C	96.4	Very high	96.7	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-46.4	173.5	-167.3	0	0	0	0	111	Q69 R78 D79 A84 T85 R86	Q69-C82 HydrophobicContact CB-CB 4.43Å; R78-C82 WeakPolarHBondContact O-CB 3.48Å; R78-C82 PolarHBondContact O-N 3.19Å; D79-C82 WeakPolarHBondContact O-CB 3.33Å; D79-C82 PolarHBondContact O-N 3.08Å; C82-A84 PolarHBondContact O-N 3Å; C82-T85 WeakPolarHBondContact O-CB 3.44Å; C82-T85 PolarHBondContact O-N 3.3Å; C82-R86 WeakPolarHBondContact O-CG 3.48Å; C82-R86 PolarHBondContact O-N 3.34Å; C82-R86 PolarHBondContact SG-NH1 3.19Å; C82-R86 VanDerWaalsContact SG-NH1 3.41Å
83	D	97	Very high	96.8	Very high	82 Å²	82	38.1 Å²	38.1	44%	0.439	19%	0.189	S	C	.	.	H	α-helix	trans	-65.5	-37.9	177.5	-69.7	-19.5	0	0	0	112.6	D79 A80 R86 R87	D79-D83 PolarHBondContact O-N 2.54Å; A80-D83 PolarHBondContact O-N 3.04Å; D83-R86 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-NH1 2.66Å; D83-R86 PolarHBondContact OD1-NH1 3.38Å; D83-R87 WeakPolarHBondContact O-CG 3.49Å; D83-R87 PolarHBondContact O-N 2.98Å
84	A	97.5	Very high	97	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.025	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-43.9	172	0	0	0	0	0	111.9	I18 T22 I65 A80 S81 C82 R86 R87 L88	I18-A84 HydrophobicContact CG2-CB 3.87Å; T22-A84 HydrophobicContact CG2-CB 4.09Å; T22-A84 WeakPolarHBondContact OG1-CB 3.48Å; I65-A84 HydrophobicContact CG2-CB 3.47Å; I65-A84 VanDerWaalsContact CG2-CB 3.47Å; A80-A84 WeakPolarHBondContact O-CB 3.26Å; A80-A84 PolarHBondContact O-N 3.43Å; S81-A84 PolarHBondContact O-N 3.23Å; C82-A84 PolarHBondContact O-N 3Å; A84-R86 VanDerWaalsContact C-N 3.32Å; A84-R86 PolarHBondContact O-N 2.86Å; A84-R87 PolarHBondContact O-N 3.4Å; A84-L88 WeakPolarHBondContact O-CG 3.47Å; A84-L88 PolarHBondContact O-N 3.3Å
85	T	96.8	Very high	97.1	Very high	11 Å²	11	33 Å²	33	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-41.3	177.4	-57.4	0	0	0	0	111.4	Q69 S81 C82 R87 L88 S89 I158	Q69-T85 PolarHBondContact NE2-OG1 2.83Å; S81-T85 WeakPolarHBondContact O-CB 2.94Å; S81-T85 PolarHBondContact O-N 2.97Å; S81-T85 PolarHBondContact O-OG1 2.98Å; C82-T85 WeakPolarHBondContact O-CB 3.44Å; C82-T85 PolarHBondContact O-N 3.3Å; T85-R87 PolarHBondContact O-N 3.29Å; T85-L88 PolarHBondContact O-N 3.35Å; T85-S89 VanDerWaalsContact O-CB 3.26Å; T85-S89 WeakPolarHBondContact O-CB 2.95Å; T85-S89 PolarHBondContact O-N 3.26Å; T85-I158 HydrophobicContact CG2-CD1 3.95Å; T85-I158 HydrophobicContact CG2-CG1 4.34Å
86	R	97.3	Very high	97.2	Very high	39 Å²	39	32.6 Å²	32.6	15%	0.147	17%	0.167	C	C	.	.	H	α-helix	trans	-58.2	-48.4	174.2	-65.7	-167.8	175.2	80.1	13.8	112	C82 D83 A84 S89 D90 Q155 I158 D159	C82-R86 WeakPolarHBondContact O-CG 3.48Å; C82-R86 PolarHBondContact O-N 3.34Å; C82-R86 PolarHBondContact SG-NH1 3.19Å; C82-R86 VanDerWaalsContact SG-NH1 3.41Å; D83-R86 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-NH1 2.66Å; D83-R86 PolarHBondContact OD1-NH1 3.38Å; A84-R86 VanDerWaalsContact C-N 3.32Å; A84-R86 PolarHBondContact O-N 2.86Å; R86-S89 PolarHBondContact O-N 3.38Å; R86-D90 PolarHBondContact O-N 2.9Å; R86-Q155 PolarHBondContact O-NE2 2.84Å; R86-I158 HydrophobicContact CG-CD1 4.06Å; R86-I158 HydrophobicContact CG-CG2 4.24Å; R86-D159 IonicContact CZ-OD1 3.21Å; R86-D159 IonicContact NE-OD1 2.9Å; R86-D159 IonicContact NH2-OD1 3.77Å; R86-D159 PolarHBondContact NH2-OD1 3.42Å
87	R	98	Very high	97.1	Very high	99 Å²	99	30.3 Å²	30.3	37%	0.374	15%	0.147	S	C	.	.	H	α-helix	trans	-65.3	-41.4	-179.1	-68.3	170.9	62.8	-159	-1.4	112.4	T22 S23 I26 D83 A84 T85 M91	T22-R87 HydrophobicContact CG2-CB 4.34Å; S23-R87 PolarHBondContact OG-NH2 3.46Å; I26-R87 HydrophobicContact CD1-CB 4.19Å; D83-R87 WeakPolarHBondContact O-CG 3.49Å; D83-R87 PolarHBondContact O-N 2.98Å; A84-R87 PolarHBondContact O-N 3.4Å; T85-R87 PolarHBondContact O-N 3.29Å; R87-M91 WeakPolarHBondContact O-CB 3.26Å; R87-M91 PolarHBondContact O-N 3.29Å
88	L	98.2	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-45.3	176.9	-70.3	168.6	0	0	0	110.5	T22 L25 I26 K62 I65 A84 T85 D90 M91 E92	T22-L88 HydrophobicContact CG2-CD1 4.49Å; T22-L88 HydrophobicContact CG2-CD2 4.25Å; T22-L88 HydrophobicContact CG2-CG 4.05Å; L25-L88 HydrophobicContact CB-CD2 4.47Å; L25-L88 HydrophobicContact CD2-CD1 4.24Å; L25-L88 HydrophobicContact CD2-CD2 3.76Å; L25-L88 HydrophobicContact CG-CD2 4.16Å; I26-L88 HydrophobicContact CD1-CD2 4.37Å; I26-L88 HydrophobicContact CG1-CD2 3.8Å; K62-L88 HydrophobicContact CG-CD1 4.25Å; I65-L88 HydrophobicContact CG2-CD1 4.29Å; A84-L88 WeakPolarHBondContact O-CG 3.47Å; A84-L88 PolarHBondContact O-N 3.3Å; T85-L88 PolarHBondContact O-N 3.35Å; L88-D90 PolarHBondContact O-N 3.44Å; L88-M91 HydrophobicContact CD2-CE 4.22Å; L88-M91 PolarHBondContact O-N 3.15Å; L88-E92 WeakPolarHBondContact O-CB 3.14Å; L88-E92 VanDerWaalsContact O-CG 3.29Å; L88-E92 WeakPolarHBondContact O-CG 3.34Å; L88-E92 PolarHBondContact O-N 2.9Å
89	S	97	Very high	97.2	Very high	8 Å²	8	35 Å²	35	6%	0.056	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-46.7	176.5	165.5	0	0	0	0	112.8	T85 R86 M91 E92 V93 N154	T85-S89 VanDerWaalsContact O-CB 3.26Å; T85-S89 WeakPolarHBondContact O-CB 2.95Å; T85-S89 PolarHBondContact O-N 3.26Å; R86-S89 PolarHBondContact O-N 3.38Å; S89-M91 VanDerWaalsContact C-N 3.29Å; S89-M91 PolarHBondContact O-N 2.98Å; S89-E92 PolarHBondContact O-N 3.25Å; S89-V93 WeakPolarHBondContact O-CG2 3.31Å; S89-V93 PolarHBondContact O-N 2.96Å; S89-V93 VanDerWaalsContact O-N 3.07Å; S89-N154 WeakPolarHBondContact OG-CB 2.92Å; S89-N154 PolarHBondContact OG-ND2 3Å
90	D	97.5	Very high	97.2	Very high	54 Å²	54	35.9 Å²	35.9	29%	0.289	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-41.6	178.7	-73.2	-13.9	0	0	0	111.5	R86 L88 V93 E94 K151 Q155	R86-D90 PolarHBondContact O-N 2.9Å; L88-D90 PolarHBondContact O-N 3.44Å; D90-V93 PolarHBondContact O-N 3.24Å; D90-E94 WeakPolarHBondContact O-CG 3.18Å; D90-E94 PolarHBondContact O-N 2.79Å; D90-K151 WeakPolarHBondContact O-CE 3.46Å; D90-Q155 VanDerWaalsContact CG-NE2 3.34Å; D90-Q155 PolarHBondContact OD1-NE2 3.47Å; D90-Q155 PolarHBondContact OD2-NE2 3.46Å
91	M	97.9	Very high	97.3	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.039	17%	0.167	C	C	.	.	H	α-helix	trans	-67.8	-40.4	177.4	-177.3	-79.4	-54.2	0	0	112.1	I26 A29 Y58 R87 L88 S89 V93 E94 L95	I26-M91 HydrophobicContact CB-CG 4.4Å; I26-M91 HydrophobicContact CG1-CB 4.32Å; I26-M91 HydrophobicContact CG1-CE 4.14Å; I26-M91 HydrophobicContact CG1-CG 4.09Å; I26-M91 HydrophobicContact CG2-CG 3.9Å; A29-M91 HydrophobicContact CB-CE 3.99Å; A29-M91 HydrophobicContact CB-SD 3.93Å; Y58-M91 HydrophobicContact CE2-CE 3.73Å; Y58-M91 WeakPolarHBondContact OH-CE 3Å; R87-M91 WeakPolarHBondContact O-CB 3.26Å; R87-M91 PolarHBondContact O-N 3.29Å; L88-M91 HydrophobicContact CD2-CE 4.22Å; L88-M91 PolarHBondContact O-N 3.15Å; S89-M91 VanDerWaalsContact C-N 3.29Å; S89-M91 PolarHBondContact O-N 2.98Å; M91-V93 VanDerWaalsContact C-N 3.32Å; M91-V93 PolarHBondContact O-N 3.2Å; M91-E94 WeakPolarHBondContact O-CB 3.39Å; M91-E94 PolarHBondContact O-N 3.4Å; M91-E94 VanDerWaalsContact O-N 3.13Å; M91-L95 HydrophobicContact CE-CD1 4.25Å; M91-L95 WeakPolarHBondContact O-CG 3.39Å; M91-L95 PolarHBondContact O-N 3.33Å; M91-L95 HydrophobicContact SD-CD1 3.2Å; M91-L95 WeakPolarHBondContact SD-CD1 3.21Å; M91-L95 HydrophobicContact SD-CD2 4.37Å; M91-L95 HydrophobicContact SD-CG 3.5Å; M91-L95 WeakPolarHBondContact SD-CG 3.25Å
92	E	98	Very high	97.3	Very high	43 Å²	43	36.7 Å²	36.7	20%	0.201	17%	0.172	C	C	.	.	H	α-helix	trans	-57.5	-46.1	174.3	-77	171.3	151.3	0	0	110.8	Y58 K62 L88 S89 E94 L95 E96	Y58-E92 HydrophobicContact CE1-CG 4.26Å; Y58-E92 VanDerWaalsContact CE1-OE1 3.27Å; Y58-E92 WeakPolarHBondContact CE1-OE1 3.43Å; Y58-E92 VanDerWaalsContact OH-CG 3.25Å; Y58-E92 WeakPolarHBondContact OH-CG 3.48Å; Y58-E92 PolarHBondContact OH-OE1 3.45Å; K62-E92 WeakPolarHBondContact CD-OE1 3.3Å; K62-E92 WeakPolarHBondContact CE-OE1 3.49Å; L88-E92 WeakPolarHBondContact O-CB 3.14Å; L88-E92 VanDerWaalsContact O-CG 3.29Å; L88-E92 WeakPolarHBondContact O-CG 3.34Å; L88-E92 PolarHBondContact O-N 2.9Å; S89-E92 PolarHBondContact O-N 3.25Å; E92-E94 VanDerWaalsContact C-N 3.31Å; E92-E94 PolarHBondContact O-N 3Å; E92-L95 PolarHBondContact O-N 3.47Å; E92-E96 VanDerWaalsContact O-CB 3.23Å; E92-E96 WeakPolarHBondContact O-CB 3.28Å; E92-E96 VanDerWaalsContact O-CG 3.29Å; E92-E96 WeakPolarHBondContact O-CG 3.45Å; E92-E96 PolarHBondContact O-N 3.46Å
93	V	97.7	Very high	97.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.024	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-43.3	175.5	174.1	0	0	0	0	111	S89 D90 M91 E96 M97 E147 N150 K151	S89-V93 WeakPolarHBondContact O-CG2 3.31Å; S89-V93 PolarHBondContact O-N 2.96Å; S89-V93 VanDerWaalsContact O-N 3.07Å; D90-V93 PolarHBondContact O-N 3.24Å; M91-V93 VanDerWaalsContact C-N 3.32Å; M91-V93 PolarHBondContact O-N 3.2Å; V93-E96 PolarHBondContact O-N 2.59Å; V93-M97 HydrophobicContact CG1-CG 4.41Å; V93-M97 WeakPolarHBondContact O-CB 3.4Å; V93-M97 WeakPolarHBondContact O-CG 3.45Å; V93-M97 PolarHBondContact O-N 3.13Å; V93-E147 HydrophobicContact CG1-CG 3.76Å; V93-N150 HydrophobicContact CG1-CB 3.91Å; V93-N150 HydrophobicContact CG2-CB 4.05Å; V93-K151 HydrophobicContact CB-CG 4.02Å; V93-K151 HydrophobicContact CG1-CG 3.83Å; V93-K151 HydrophobicContact CG2-CG 4.34Å
94	E	97.5	Very high	97.4	Very high	93 Å²	93	39.3 Å²	39.3	44%	0.435	18%	0.18	S	C	.	.	H	α-helix	trans	-62.4	-44.1	177.1	-70.2	171.9	-174.8	0	0	112.7	D90 M91 E92 M97 K151	D90-E94 WeakPolarHBondContact O-CG 3.18Å; D90-E94 PolarHBondContact O-N 2.79Å; M91-E94 WeakPolarHBondContact O-CB 3.39Å; M91-E94 PolarHBondContact O-N 3.4Å; M91-E94 VanDerWaalsContact O-N 3.13Å; E92-E94 VanDerWaalsContact C-N 3.31Å; E92-E94 PolarHBondContact O-N 3Å; E94-M97 PolarHBondContact O-N 2.77Å; E94-K151 IonicContact OE1-NZ 2.72Å; E94-K151 PolarHBondContact OE1-NZ 3.45Å
95	L	98	Very high	97.4	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.068	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-41.9	177	-69.7	-170.1	0	0	0	111.9	A29 I30 Y33 M91 E92 M97 R98	A29-L95 HydrophobicContact CB-CD1 3.69Å; I30-L95 HydrophobicContact CG1-CD2 4.26Å; Y33-L95 HydrophobicContact CD1-CB 3.9Å; Y33-L95 HydrophobicContact CD1-CD2 4.05Å; Y33-L95 HydrophobicContact CD1-CG 4.39Å; Y33-L95 HydrophobicContact CD2-CB 4.49Å; Y33-L95 HydrophobicContact CD2-CD1 3.77Å; Y33-L95 HydrophobicContact CD2-CD2 4.2Å; Y33-L95 HydrophobicContact CD2-CG 4.39Å; Y33-L95 HydrophobicContact CE1-CB 3.73Å; Y33-L95 VanDerWaalsContact CE1-O 3.31Å; Y33-L95 WeakPolarHBondContact CE1-O 3.13Å; Y33-L95 HydrophobicContact CE2-CB 4.32Å; Y33-L95 HydrophobicContact CE2-CD1 3.81Å; Y33-L95 HydrophobicContact CG-CB 4.29Å; Y33-L95 HydrophobicContact CG-CD1 4.17Å; Y33-L95 HydrophobicContact CG-CD2 3.78Å; Y33-L95 HydrophobicContact CG-CG 4.31Å; M91-L95 HydrophobicContact CE-CD1 4.25Å; M91-L95 WeakPolarHBondContact O-CG 3.39Å; M91-L95 PolarHBondContact O-N 3.33Å; M91-L95 HydrophobicContact SD-CD1 3.2Å; M91-L95 WeakPolarHBondContact SD-CD1 3.21Å; M91-L95 HydrophobicContact SD-CD2 4.37Å; M91-L95 HydrophobicContact SD-CG 3.5Å; M91-L95 WeakPolarHBondContact SD-CG 3.25Å; E92-L95 PolarHBondContact O-N 3.47Å; L95-M97 PolarHBondContact O-N 3.37Å; L95-R98 WeakPolarHBondContact O-CB 3.12Å; L95-R98 VanDerWaalsContact O-CG 3.24Å; L95-R98 WeakPolarHBondContact O-CG 3.28Å; L95-R98 PolarHBondContact O-N 3.49Å; L95-R98 VanDerWaalsContact O-N 3.12Å
96	E	96.8	Very high	97.5	Very high	90 Å²	90	40.2 Å²	40.2	42%	0.421	19%	0.185	S	C	.	.	H	α-helix	trans	-65.7	-21.6	176.2	-81.3	-172.3	-169.9	0	0	113.3	E92 V93 R98 N134 L136	E92-E96 VanDerWaalsContact O-CB 3.23Å; E92-E96 WeakPolarHBondContact O-CB 3.28Å; E92-E96 VanDerWaalsContact O-CG 3.29Å; E92-E96 WeakPolarHBondContact O-CG 3.45Å; E92-E96 PolarHBondContact O-N 3.46Å; V93-E96 PolarHBondContact O-N 2.59Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-N134 WeakPolarHBondContact CB-ND2 3.47Å; E96-N134 PolarHBondContact OE2-ND2 3.36Å; E96-L136 WeakPolarHBondContact O-CD1 3.28Å
97	M	96	Very high	97.5	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.054	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	6.2	175.1	-67.9	-60.3	-63.9	0	0	113.7	V93 E94 L95 K99 N134 L136 R143 E147	V93-M97 HydrophobicContact CG1-CG 4.41Å; V93-M97 WeakPolarHBondContact O-CB 3.4Å; V93-M97 WeakPolarHBondContact O-CG 3.45Å; V93-M97 PolarHBondContact O-N 3.13Å; E94-M97 PolarHBondContact O-N 2.77Å; L95-M97 PolarHBondContact O-N 3.37Å; M97-K99 PolarHBondContact O-N 3.08Å; M97-N134 WeakPolarHBondContact CE-O 3.48Å; M97-N134 HydrophobicContact SD-CB 3.91Å; M97-L136 HydrophobicContact CE-CD2 4.34Å; M97-L136 VanDerWaalsContact O-CD2 3.29Å; M97-L136 WeakPolarHBondContact O-CD2 3.25Å; M97-L136 HydrophobicContact SD-CD2 4.49Å; M97-R143 HydrophobicContact CE-CB 3.65Å; M97-R143 HydrophobicContact CE-CG 4.18Å; M97-R143 WeakPolarHBondContact CE-O 3.46Å; M97-E147 HydrophobicContact CE-CB 4.21Å; M97-E147 HydrophobicContact CG-CB 4.02Å; M97-E147 HydrophobicContact CG-CG 3.92Å
98	R	96.9	Very high	97.4	Very high	57 Å²	57	36 Å²	36	22%	0.215	18%	0.177	C	C	.	.			trans	-71.6	95.7	176	-72.1	-74	-65	-100.2	3.1	112.5	Y33 D34 L95 E96 D100 V101 F102	Y33-R98 HydrophobicContact CD1-CB 4.35Å; Y33-R98 HydrophobicContact CD1-CG 4.22Å; D34-R98 IonicContact OD1-CZ 2.81Å; D34-R98 VanDerWaalsContact OD1-CZ 3.3Å; D34-R98 IonicContact OD1-NH1 2.8Å; D34-R98 PolarHBondContact OD1-NH1 2.84Å; D34-R98 IonicContact OD1-NH2 4Å; D34-R98 PolarHBondContact OD1-NH2 2.85Å; L95-R98 WeakPolarHBondContact O-CB 3.12Å; L95-R98 VanDerWaalsContact O-CG 3.24Å; L95-R98 WeakPolarHBondContact O-CG 3.28Å; L95-R98 PolarHBondContact O-N 3.49Å; L95-R98 VanDerWaalsContact O-N 3.12Å; E96-R98 VanDerWaalsContact C-N 3.33Å; R98-D100 VanDerWaalsContact C-N 3.32Å; R98-D100 WeakPolarHBondContact CB-OD1 3.16Å; R98-D100 IonicContact CZ-OD1 2.8Å; R98-D100 IonicContact CZ-OD2 3.26Å; R98-D100 IonicContact NE-OD1 3.01Å; R98-D100 PolarHBondContact NE-OD1 3.18Å; R98-D100 IonicContact NE-OD2 2.68Å; R98-D100 PolarHBondContact NE-OD2 3.33Å; R98-D100 IonicContact NH2-OD1 3.64Å; R98-D100 IonicContact NH2-OD2 3.9Å; R98-D100 PolarHBondContact NH2-OD2 3.2Å; R98-D100 PolarHBondContact O-N 3.25Å; R98-V101 HydrophobicContact CB-CB 4.06Å; R98-V101 HydrophobicContact CB-CG2 3.99Å; R98-V101 PolarHBondContact O-N 3.16Å; R98-F102 PolarHBondContact O-N 3.29Å; R98-F102 VanDerWaalsContact O-N 3.08Å
99	K	96.1	Very high	97.4	Very high	71 Å²	71	39 Å²	39	31%	0.309	19%	0.19	S	C	.	.	H	α-helix	trans	-59.9	-38.6	178.1	-176	172.8	178.9	175.1	0	113.3	M97 F102 E103 L136	M97-K99 PolarHBondContact O-N 3.08Å; K99-F102 PolarHBondContact O-N 3.48Å; K99-E103 WeakPolarHBondContact CE-OE1 3.35Å; K99-E103 HydrophobicContact CG-CG 4.34Å; K99-E103 WeakPolarHBondContact O-CB 3.31Å; K99-E103 VanDerWaalsContact O-CG 3.31Å; K99-E103 WeakPolarHBondContact O-CG 3.47Å; K99-E103 PolarHBondContact O-N 3.41Å; K99-L136 HydrophobicContact CB-CD2 4.33Å
100	D	97	Very high	97.4	Very high	53 Å²	53	46.2 Å²	46.2	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-60.2	-44.5	176.8	59.5	-33.3	0	0	0	111.9	G37 R98 E103 K104	G37-D100 WeakPolarHBondContact CA-OD2 3.45Å; R98-D100 VanDerWaalsContact C-N 3.32Å; R98-D100 WeakPolarHBondContact CB-OD1 3.16Å; R98-D100 IonicContact CZ-OD1 2.8Å; R98-D100 IonicContact CZ-OD2 3.26Å; R98-D100 IonicContact NE-OD1 3.01Å; R98-D100 PolarHBondContact NE-OD1 3.18Å; R98-D100 IonicContact NE-OD2 2.68Å; R98-D100 PolarHBondContact NE-OD2 3.33Å; R98-D100 IonicContact NH2-OD1 3.64Å; R98-D100 IonicContact NH2-OD2 3.9Å; R98-D100 PolarHBondContact NH2-OD2 3.2Å; R98-D100 PolarHBondContact O-N 3.25Å; D100-E103 PolarHBondContact O-N 2.86Å; D100-K104 WeakPolarHBondContact O-CG 3.35Å; D100-K104 PolarHBondContact O-N 2.98Å; D100-K104 VanDerWaalsContact O-N 3.16Å
101	V	98	Very high	97.3	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-41.4	175.5	176.1	0	0	0	0	111.3	Y33 V36 M51 R98 E103 K104 F105	Y33-V101 HydrophobicContact CD1-CB 4.4Å; Y33-V101 HydrophobicContact CD1-CG1 4.27Å; Y33-V101 HydrophobicContact CD1-CG2 3.9Å; Y33-V101 HydrophobicContact CE1-CG1 4.29Å; Y33-V101 WeakPolarHBondContact O-CG2 3.28Å; V36-V101 HydrophobicContact CG1-CG1 4.09Å; V36-V101 HydrophobicContact CG1-CG2 4.48Å; M51-V101 HydrophobicContact CE-CG1 3.95Å; R98-V101 HydrophobicContact CB-CB 4.06Å; R98-V101 HydrophobicContact CB-CG2 3.99Å; R98-V101 PolarHBondContact O-N 3.16Å; V101-E103 PolarHBondContact O-N 3.08Å; V101-K104 WeakPolarHBondContact O-CB 3.23Å; V101-K104 PolarHBondContact O-N 3.3Å; V101-F105 HydrophobicContact CG1-CD2 4.21Å; V101-F105 HydrophobicContact CG1-CE2 4.12Å; V101-F105 WeakPolarHBondContact O-CD2 3.31Å; V101-F105 PolarHBondContact O-N 3.23Å
102	F	97.8	Very high	97.1	Very high	20 Å²	20	50.4 Å²	50.4	9%	0.088	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-43.3	174.6	166.8	-107.5	0	0	0	112.9	R98 K99 K104 F105 V106 V128 R132 L136	R98-F102 PolarHBondContact O-N 3.29Å; R98-F102 VanDerWaalsContact O-N 3.08Å; K99-F102 PolarHBondContact O-N 3.48Å; F102-K104 PolarHBondContact O-N 2.98Å; F102-F105 PolarHBondContact O-N 2.85Å; F102-F105 VanDerWaalsContact O-N 3.08Å; F102-V106 HydrophobicContact CD1-CG2 4.33Å; F102-V106 HydrophobicContact CD2-CG2 4.17Å; F102-V106 HydrophobicContact CE1-CG2 3.89Å; F102-V106 HydrophobicContact CE2-CG2 3.71Å; F102-V106 HydrophobicContact CG-CG2 4.47Å; F102-V106 HydrophobicContact CZ-CG2 3.56Å; F102-V106 WeakPolarHBondContact O-CG2 3.47Å; F102-V106 PolarHBondContact O-N 2.9Å; F102-V128 HydrophobicContact CE2-CG1 4.14Å; F102-V128 WeakPolarHBondContact CE2-O 3.38Å; F102-R132 HydrophobicContact CE2-CG 4.34Å; F102-R132 HydrophobicContact CZ-CG 4.16Å; F102-L136 HydrophobicContact CB-CB 4.28Å; F102-L136 HydrophobicContact CB-CD1 3.32Å; F102-L136 HydrophobicContact CB-CG 4.42Å; F102-L136 HydrophobicContact CD1-CB 3.6Å; F102-L136 HydrophobicContact CD1-CD1 4.25Å; F102-L136 HydrophobicContact CD2-CB 4.39Å; F102-L136 HydrophobicContact CD2-CD1 4.15Å; F102-L136 HydrophobicContact CE1-CB 3.95Å; F102-L136 HydrophobicContact CG-CB 3.84Å; F102-L136 HydrophobicContact CG-CD1 3.67Å; F102-L136 HydrophobicContact CG-CG 4.42Å; F102-L136 HydrophobicContact CZ-CB 4.47Å
103	E	97.3	Very high	96.8	Very high	104 Å²	104	52.5 Å²	52.5	49%	0.486	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-33	176.5	-75.5	174.3	176.4	0	0	112	K99 D100 V101 V106 S107	K99-E103 WeakPolarHBondContact CE-OE1 3.35Å; K99-E103 HydrophobicContact CG-CG 4.34Å; K99-E103 WeakPolarHBondContact O-CB 3.31Å; K99-E103 VanDerWaalsContact O-CG 3.31Å; K99-E103 WeakPolarHBondContact O-CG 3.47Å; K99-E103 PolarHBondContact O-N 3.41Å; D100-E103 PolarHBondContact O-N 2.86Å; V101-E103 PolarHBondContact O-N 3.08Å; E103-V106 PolarHBondContact O-N 3.37Å; E103-S107 WeakPolarHBondContact O-CB 3.35Å; E103-S107 PolarHBondContact O-N 3.25Å
104	K	97.8	Very high	96.4	Very high	38 Å²	38	58 Å²	58	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-48.6	170	-65	-64.1	-174.7	178.6	0	111.7	G37 S39 G40 A42 V47 D100 V101 F102 V106 S107 V108	G37-K104 WeakPolarHBondContact O-CE 3.47Å; S39-K104 PolarHBondContact O-NZ 2.83Å; G40-K104 PolarHBondContact O-NZ 3.14Å; A42-K104 HydrophobicContact CB-CD 3.92Å; V47-K104 HydrophobicContact CG1-CB 3.93Å; V47-K104 HydrophobicContact CG2-CB 3.84Å; V47-K104 HydrophobicContact CG2-CD 4.37Å; V47-K104 HydrophobicContact CG2-CG 4.33Å; D100-K104 WeakPolarHBondContact O-CG 3.35Å; D100-K104 PolarHBondContact O-N 2.98Å; D100-K104 VanDerWaalsContact O-N 3.16Å; V101-K104 WeakPolarHBondContact O-CB 3.23Å; V101-K104 PolarHBondContact O-N 3.3Å; F102-K104 PolarHBondContact O-N 2.98Å; K104-V106 PolarHBondContact O-N 3.48Å; K104-S107 WeakPolarHBondContact O-CB 3.12Å; K104-S107 PolarHBondContact O-N 3.02Å; K104-V108 WeakPolarHBondContact O-CG2 3.48Å; K104-V108 PolarHBondContact O-N 3.43Å
105	F	98	Very high	95.7	Very high	4 Å²	4	57 Å²	57	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-40.3	176.7	-84.4	-75.4	0	0	0	112.8	V47 V48 M51 V101 F102 S107 V108 Q109 Y123 K127 V128	V47-F105 HydrophobicContact CG1-CD1 4.36Å; V47-F105 HydrophobicContact CG1-CD2 4.22Å; V47-F105 HydrophobicContact CG1-CE1 4.23Å; V47-F105 HydrophobicContact CG1-CE2 4.08Å; V47-F105 HydrophobicContact CG1-CG 4.36Å; V47-F105 HydrophobicContact CG1-CZ 4.09Å; V48-F105 HydrophobicContact CG2-CE1 4.19Å; M51-F105 HydrophobicContact CB-CZ 4.11Å; M51-F105 HydrophobicContact CG-CE2 4.27Å; M51-F105 HydrophobicContact CG-CZ 3.98Å; V101-F105 HydrophobicContact CG1-CD2 4.21Å; V101-F105 HydrophobicContact CG1-CE2 4.12Å; V101-F105 WeakPolarHBondContact O-CD2 3.31Å; V101-F105 PolarHBondContact O-N 3.23Å; F102-F105 PolarHBondContact O-N 2.85Å; F102-F105 VanDerWaalsContact O-N 3.08Å; F105-S107 VanDerWaalsContact C-N 3.31Å; F105-S107 PolarHBondContact O-N 3.08Å; F105-V108 PolarHBondContact O-N 3.45Å; F105-Q109 WeakPolarHBondContact O-CB 3.48Å; F105-Q109 PolarHBondContact O-N 2.85Å; F105-Y123 HydrophobicContact CE1-CD1 4.3Å; F105-Y123 AromaticContact CE1-CE1 3.69Å; F105-Y123 HydrophobicContact CE1-CE1 3.69Å; F105-Y123 AromaticContact CZ-CE1 3.99Å; F105-Y123 HydrophobicContact CZ-CE1 3.99Å; F105-K127 HydrophobicContact CD1-CB 3.61Å; F105-K127 HydrophobicContact CD1-CG 4.08Å; F105-K127 HydrophobicContact CD2-CB 4.21Å; F105-K127 HydrophobicContact CE1-CB 3.76Å; F105-K127 HydrophobicContact CE1-CG 3.67Å; F105-K127 HydrophobicContact CE2-CB 4.34Å; F105-K127 HydrophobicContact CE2-CG 4.38Å; F105-K127 HydrophobicContact CG-CB 3.85Å; F105-K127 HydrophobicContact CZ-CB 4.13Å; F105-K127 HydrophobicContact CZ-CD 4.37Å; F105-K127 HydrophobicContact CZ-CG 3.84Å; F105-V128 HydrophobicContact CB-CG2 4Å
106	V	97.8	Very high	95.5	Very high	28 Å²	28	56.9 Å²	56.9	17%	0.17	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-39.5	174.3	171.7	0	0	0	0	111.3	F102 E103 K104 Q109 K110 V128	F102-V106 HydrophobicContact CD1-CG2 4.33Å; F102-V106 HydrophobicContact CD2-CG2 4.17Å; F102-V106 HydrophobicContact CE1-CG2 3.89Å; F102-V106 HydrophobicContact CE2-CG2 3.71Å; F102-V106 HydrophobicContact CG-CG2 4.47Å; F102-V106 HydrophobicContact CZ-CG2 3.56Å; F102-V106 WeakPolarHBondContact O-CG2 3.47Å; F102-V106 PolarHBondContact O-N 2.9Å; E103-V106 PolarHBondContact O-N 3.37Å; K104-V106 PolarHBondContact O-N 3.48Å; V106-Q109 PolarHBondContact O-N 3.09Å; V106-K110 WeakPolarHBondContact O-CG 3.49Å; V106-K110 PolarHBondContact O-N 2.63Å; V106-V128 HydrophobicContact CG2-CG1 4.12Å; V106-V128 HydrophobicContact CG2-CG2 4.13Å
107	S	97.2	Very high	95.4	Very high	48 Å²	48	54.3 Å²	54.3	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-45	175.8	-171.1	0	0	0	0	111.5	E103 K104 F105 Q109 K110 N111	E103-S107 WeakPolarHBondContact O-CB 3.35Å; E103-S107 PolarHBondContact O-N 3.25Å; K104-S107 WeakPolarHBondContact O-CB 3.12Å; K104-S107 PolarHBondContact O-N 3.02Å; F105-S107 VanDerWaalsContact C-N 3.31Å; F105-S107 PolarHBondContact O-N 3.08Å; S107-Q109 PolarHBondContact O-N 3.47Å; S107-K110 PolarHBondContact O-N 3.12Å; S107-N111 PolarHBondContact O-N 3.28Å; S107-N111 PolarHBondContact O-ND2 2.73Å
108	V	97.6	Very high	95.4	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-59.8	-46.3	174.5	173.7	0	0	0	0	110.7	A42 V47 V48 K104 F105 K110 N111 I112 F116 V124	A42-V108 HydrophobicContact CB-CG2 3.98Å; V47-V108 HydrophobicContact CB-CG2 4.1Å; V47-V108 HydrophobicContact CG1-CG2 4.32Å; V47-V108 HydrophobicContact CG2-CG2 4.26Å; V48-V108 HydrophobicContact CG2-CG1 3.83Å; V48-V108 HydrophobicContact CG2-CG2 4.41Å; K104-V108 WeakPolarHBondContact O-CG2 3.48Å; K104-V108 PolarHBondContact O-N 3.43Å; F105-V108 PolarHBondContact O-N 3.45Å; V108-K110 PolarHBondContact O-N 2.69Å; V108-N111 CarbonylContact O-C 3.55Å; V108-N111 PolarHBondContact O-N 3.35Å; V108-I112 WeakPolarHBondContact O-CG1 3.49Å; V108-I112 PolarHBondContact O-N 2.81Å; V108-F116 HydrophobicContact CG1-CE1 3.8Å; V108-F116 HydrophobicContact CG1-CZ 3.53Å; V108-V124 HydrophobicContact CG1-CG1 4.18Å; V108-V124 HydrophobicContact CG1-CG2 3.92Å
109	Q	97.2	Very high	95.4	Very high	62 Å²	62	54.9 Å²	54.9	29%	0.29	31%	0.309	S	S	.	.	H	α-helix	trans	-54.7	-38.5	-179.7	-171.5	-178.1	50.5	0	0	112.7	F105 V106 S107 N111 V124 D125 V128	F105-Q109 WeakPolarHBondContact O-CB 3.48Å; F105-Q109 PolarHBondContact O-N 2.85Å; V106-Q109 PolarHBondContact O-N 3.09Å; S107-Q109 PolarHBondContact O-N 3.47Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 3.4Å; Q109-V124 HydrophobicContact CB-CG1 3.72Å; Q109-V124 HydrophobicContact CG-CG1 4.27Å; Q109-D125 PolarHBondContact NE2-OD1 3.03Å; Q109-V128 HydrophobicContact CB-CG2 4.17Å
110	K	96.8	Very high	95.4	Very high	161 Å²	161	51.7 Å²	51.7	70%	0.7	30%	0.295	S	S	*	.	H	α-helix	trans	-72.7	-21.4	178.3	-69.5	172.2	-177.2	176	0	113.6	V106 S107 V108	V106-K110 WeakPolarHBondContact O-CG 3.49Å; V106-K110 PolarHBondContact O-N 2.63Å; S107-K110 PolarHBondContact O-N 3.12Å; V108-K110 PolarHBondContact O-N 2.69Å
111	N	95.3	Very high	95.5	Very high	110 Å²	110	53.4 Å²	53.4	59%	0.588	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	22.5	-172.7	-60.9	-70.2	0	0	0	112.3	S107 V108 Q109 D113	S107-N111 PolarHBondContact O-N 3.28Å; S107-N111 PolarHBondContact O-ND2 2.73Å; V108-N111 CarbonylContact O-C 3.55Å; V108-N111 PolarHBondContact O-N 3.35Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 3.4Å; N111-D113 PolarHBondContact O-N 3.48Å
112	I	94.7	Very high	95.4	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.205	30%	0.304	C	S	.	.			trans	-61.5	121.5	175.1	-63.4	-180	0	0	0	108.9	V108 F116 R121 V124	V108-I112 WeakPolarHBondContact O-CG1 3.49Å; V108-I112 PolarHBondContact O-N 2.81Å; I112-F116 HydrophobicContact CG2-CB 3.87Å; I112-F116 HydrophobicContact CG2-CD1 4.35Å; I112-F116 HydrophobicContact CG2-CD2 3.97Å; I112-F116 HydrophobicContact CG2-CG 3.82Å; I112-R121 HydrophobicContact CG2-CG 3.79Å; I112-V124 HydrophobicContact CD1-CB 4.34Å; I112-V124 HydrophobicContact CD1-CG1 4.15Å
113	D	91.2	Very high	95.4	Very high	87 Å²	87	54.3 Å²	54.3	47%	0.465	30%	0.3	S	S	.	.			trans	-111.6	-167.2	177.6	66.5	23.6	0	0	0	111.6	N111 S115 R121	N111-D113 PolarHBondContact O-N 3.48Å; D113-S115 PolarHBondContact O-N 3.34Å; D113-S115 WeakPolarHBondContact OD1-CB 3.37Å; D113-S115 PolarHBondContact OD1-N 3Å; D113-S115 PolarHBondContact OD1-OG 2.86Å; D113-R121 PolarHBondContact O-NH2 3.36Å
114	S	88.5	Confident	95.4	Very high	119 Å²	119	49.3 Å²	49.3	83%	0.832	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.1	-179.2	54.3	0	0	0	0	115.3	F116	S114-F116 VanDerWaalsContact C-N 3.26Å; S114-F116 PolarHBondContact O-N 3.21Å
115	S	84	Confident	95.3	Very high	71 Å²	71	51.1 Å²	51.1	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.8	177.7	68.5	0	0	0	0	112.8	D113	D113-S115 PolarHBondContact O-N 3.34Å; D113-S115 WeakPolarHBondContact OD1-CB 3.37Å; D113-S115 PolarHBondContact OD1-N 3Å; D113-S115 PolarHBondContact OD1-OG 2.86Å
116	F	94.1	Very high	95.3	Very high	12 Å²	12	52.4 Å²	52.4	5%	0.053	29%	0.293	C	S	.	.	S	Bend	trans	-79.4	122.7	179.8	-71.3	-108.8	0	0	0	111.6	F44 V48 V108 I112 S114 R121 V124	F44-F116 HydrophobicContact CB-CE1 4.25Å; F44-F116 HydrophobicContact CB-CE2 3.87Å; F44-F116 HydrophobicContact CB-CZ 3.6Å; F44-F116 HydrophobicContact CD2-CD1 4.04Å; F44-F116 AromaticContact CD2-CE1 3.7Å; F44-F116 HydrophobicContact CD2-CE1 3.7Å; F44-F116 AromaticContact CD2-CZ 3.95Å; F44-F116 HydrophobicContact CD2-CZ 3.95Å; F44-F116 HydrophobicContact CG-CE1 4.45Å; F44-F116 HydrophobicContact CG-CZ 4.26Å; V48-F116 HydrophobicContact CG2-CE1 4.08Å; V108-F116 HydrophobicContact CG1-CE1 3.8Å; V108-F116 HydrophobicContact CG1-CZ 3.53Å; I112-F116 HydrophobicContact CG2-CB 3.87Å; I112-F116 HydrophobicContact CG2-CD1 4.35Å; I112-F116 HydrophobicContact CG2-CD2 3.97Å; I112-F116 HydrophobicContact CG2-CG 3.82Å; S114-F116 VanDerWaalsContact C-N 3.26Å; S114-F116 PolarHBondContact O-N 3.21Å; F116-R121 HydrophobicContact CB-CG 3.8Å; F116-R121 PolarHBondContact O-NE 2.87Å; F116-R121 PolarHBondContact O-NH2 2.77Å; F116-R121 VanDerWaalsContact O-NH2 3.13Å; F116-V124 HydrophobicContact CD1-CG2 4.46Å; F116-V124 HydrophobicContact CE1-CG2 3.94Å
117	S	94.9	Very high	95.3	Very high	35 Å²	35	52.7 Å²	52.7	25%	0.245	29%	0.292	C	S	.	.			trans	-61.2	164.6	165.4	76.1	0	0	0	0	111.4	E119 Y120 R121 E488	S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 PolarHBondContact O-N 3.22Å; S117-E119 PolarHBondContact OG-N 2.87Å; S117-Y120 PolarHBondContact O-N 3.2Å; S117-Y120 VanDerWaalsContact OG-CD2 3.25Å; S117-Y120 WeakPolarHBondContact OG-CD2 3.46Å; S117-Y120 PolarHBondContact OG-N 3.32Å; S117-Y120 VanDerWaalsContact OG-N 3.08Å; S117-R121 WeakPolarHBondContact O-CG 3.18Å; S117-R121 PolarHBondContact O-N 2.92Å; S117-E488 WeakPolarHBondContact CB-OE2 3.39Å; S117-E488 PolarHBondContact OG-OE2 2.97Å
118	G	95.4	Very high	95.3	Very high	60 Å²	60	50.6 Å²	50.6	62%	0.619	28%	0.277	S	S	*	.	H	α-helix	trans	-57.4	-40.1	175.1	0	0	0	0	0	112.8	R121 R122	G118-R121 PolarHBondContact O-N 2.88Å; G118-R122 PolarHBondContact O-N 2.78Å; G118-R122 VanDerWaalsContact O-N 3.17Å
119	E	96.6	Very high	95.2	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-69	-42.3	178.6	-167.1	-176.5	138	0	0	111.7	S117 R121 R122 Y123 T487 E488 T489 F492	S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 PolarHBondContact O-N 3.22Å; S117-E119 PolarHBondContact OG-N 2.87Å; E119-R121 VanDerWaalsContact C-N 3.31Å; E119-R121 PolarHBondContact O-N 2.88Å; E119-R122 CarbonylContact O-C 3.56Å; E119-R122 WeakPolarHBondContact O-CB 3.45Å; E119-R122 PolarHBondContact O-N 3.27Å; E119-R122 VanDerWaalsContact O-N 3.14Å; E119-Y123 WeakPolarHBondContact O-CB 3.41Å; E119-Y123 PolarHBondContact O-N 3.08Å; E119-T487 WeakPolarHBondContact OE1-CB 3.43Å; E119-T487 WeakPolarHBondContact OE2-CA 3.46Å; E119-E488 WeakPolarHBondContact CB-OE2 3.25Å; E119-E488 WeakPolarHBondContact OE1-CA 3.2Å; E119-E488 PolarHBondContact OE1-N 2.87Å; E119-E488 PolarHBondContact OE2-N 2.88Å; E119-T489 PolarHBondContact OE1-N 3Å; E119-T489 PolarHBondContact OE1-OG1 2.69Å; E119-F492 HydrophobicContact CG-CD2 3.67Å; E119-F492 HydrophobicContact CG-CE2 4.13Å
120	Y	97.3	Very high	95.1	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-67.8	-30	178.3	-79.6	-61.8	0	0	0	113.2	F44 V48 S117 Y123 V124 R417 E488 T489	F44-Y120 AromaticContact CE2-CD1 3.73Å; F44-Y120 HydrophobicContact CE2-CD1 3.73Å; F44-Y120 AromaticContact CE2-CD2 3.67Å; F44-Y120 HydrophobicContact CE2-CD2 3.67Å; F44-Y120 AromaticContact CE2-CE1 3.95Å; F44-Y120 HydrophobicContact CE2-CE1 3.95Å; F44-Y120 AromaticContact CE2-CE2 3.91Å; F44-Y120 HydrophobicContact CE2-CE2 3.91Å; F44-Y120 AromaticContact CE2-CG 3.58Å; F44-Y120 HydrophobicContact CE2-CG 3.58Å; F44-Y120 HydrophobicContact CZ-CD1 4.4Å; F44-Y120 AromaticContact CZ-CD2 3.91Å; F44-Y120 HydrophobicContact CZ-CD2 3.91Å; F44-Y120 HydrophobicContact CZ-CE1 4.21Å; F44-Y120 AromaticContact CZ-CE2 3.72Å; F44-Y120 HydrophobicContact CZ-CE2 3.72Å; F44-Y120 HydrophobicContact CZ-CG 4.26Å; F44-Y120 AromaticContact CZ-CZ 3.87Å; V48-Y120 HydrophobicContact CG1-CD1 3.67Å; V48-Y120 HydrophobicContact CG1-CE1 4.15Å; S117-Y120 PolarHBondContact O-N 3.2Å; S117-Y120 VanDerWaalsContact OG-CD2 3.25Å; S117-Y120 WeakPolarHBondContact OG-CD2 3.46Å; S117-Y120 PolarHBondContact OG-N 3.32Å; S117-Y120 VanDerWaalsContact OG-N 3.08Å; Y120-Y123 PolarHBondContact O-N 2.9Å; Y120-V124 WeakPolarHBondContact O-CG2 3.42Å; Y120-V124 PolarHBondContact O-N 3.34Å; Y120-R417 WeakPolarHBondContact OH-CD 3.13Å; Y120-E488 HydrophobicContact CE2-CB 4.05Å; Y120-E488 HydrophobicContact CE2-CG 4.47Å; Y120-E488 WeakPolarHBondContact CE2-OE1 3.42Å; Y120-T489 HydrophobicContact CD1-CG2 3.95Å; Y120-T489 HydrophobicContact CE1-CG2 3.57Å
121	R	97.5	Very high	95.1	Very high	90 Å²	90	44.4 Å²	44.4	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-50.2	168.7	-66.7	177	-165.2	-96	-8.5	110.7	I112 D113 F116 S117 G118 E119 Y123 V124 D125	I112-R121 HydrophobicContact CG2-CG 3.79Å; D113-R121 PolarHBondContact O-NH2 3.36Å; F116-R121 HydrophobicContact CB-CG 3.8Å; F116-R121 PolarHBondContact O-NE 2.87Å; F116-R121 PolarHBondContact O-NH2 2.77Å; F116-R121 VanDerWaalsContact O-NH2 3.13Å; S117-R121 WeakPolarHBondContact O-CG 3.18Å; S117-R121 PolarHBondContact O-N 2.92Å; G118-R121 PolarHBondContact O-N 2.88Å; E119-R121 VanDerWaalsContact C-N 3.31Å; E119-R121 PolarHBondContact O-N 2.88Å; R121-Y123 VanDerWaalsContact C-N 3.28Å; R121-Y123 PolarHBondContact O-N 3.33Å; R121-V124 PolarHBondContact O-N 3.24Å; R121-D125 PolarHBondContact O-N 3.45Å
122	R	95.9	Very high	95.2	Very high	45 Å²	45	45.3 Å²	45.3	17%	0.17	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-38.7	177.1	-172.6	-178	177.7	79.1	-8.2	111.8	G118 E119 D125 R126 F492 G653 S654 D656	G118-R122 PolarHBondContact O-N 2.78Å; G118-R122 VanDerWaalsContact O-N 3.17Å; E119-R122 CarbonylContact O-C 3.56Å; E119-R122 WeakPolarHBondContact O-CB 3.45Å; E119-R122 PolarHBondContact O-N 3.27Å; E119-R122 VanDerWaalsContact O-N 3.14Å; R122-D125 PolarHBondContact O-N 3.38Å; R122-R126 VanDerWaalsContact O-CB 3.28Å; R122-R126 WeakPolarHBondContact O-CB 3.42Å; R122-R126 PolarHBondContact O-N 2.8Å; R122-F492 HydrophobicContact CB-CE2 4.26Å; R122-F492 HydrophobicContact CB-CZ 4.3Å; R122-F492 HydrophobicContact CG-CE1 4.37Å; R122-F492 HydrophobicContact CG-CE2 4.1Å; R122-F492 HydrophobicContact CG-CZ 3.71Å; R122-G653 PolarHBondContact NE-O 3.26Å; R122-S654 WeakPolarHBondContact CD-O 3.38Å; R122-D656 IonicContact CZ-OD1 3.6Å; R122-D656 IonicContact NH1-OD1 2.94Å; R122-D656 PolarHBondContact NH1-OD1 3.07Å; R122-D656 IonicContact NH1-OD2 2.65Å; R122-D656 IonicContact NH2-OD1 2.68Å; R122-D656 PolarHBondContact NH2-OD1 3.14Å
123	Y	97.5	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-51.3	176	176.2	-95.5	0	0	0	111.1	V48 M51 E55 F105 E119 Y120 R121 D125 R126 K127 T489 L491	V48-Y123 HydrophobicContact CG1-CD1 3.75Å; V48-Y123 HydrophobicContact CG1-CE1 3.93Å; M51-Y123 WeakPolarHBondContact CG-OH 3.5Å; E55-Y123 PolarHBondContact OE1-OH 3.11Å; E55-Y123 VanDerWaalsContact OE1-OH 3.12Å; E55-Y123 WeakPolarHBondContact OE2-CE2 3.29Å; E55-Y123 VanDerWaalsContact OE2-CZ 3.31Å; E55-Y123 PolarHBondContact OE2-OH 2.94Å; F105-Y123 HydrophobicContact CE1-CD1 4.3Å; F105-Y123 AromaticContact CE1-CE1 3.69Å; F105-Y123 HydrophobicContact CE1-CE1 3.69Å; F105-Y123 AromaticContact CZ-CE1 3.99Å; F105-Y123 HydrophobicContact CZ-CE1 3.99Å; E119-Y123 WeakPolarHBondContact O-CB 3.41Å; E119-Y123 PolarHBondContact O-N 3.08Å; Y120-Y123 PolarHBondContact O-N 2.9Å; R121-Y123 VanDerWaalsContact C-N 3.28Å; R121-Y123 PolarHBondContact O-N 3.33Å; Y123-D125 VanDerWaalsContact C-N 3.35Å; Y123-D125 PolarHBondContact O-N 3.33Å; Y123-R126 PolarHBondContact O-N 2.88Å; Y123-K127 HydrophobicContact CD1-CG 4.2Å; Y123-K127 HydrophobicContact CE1-CD 4.48Å; Y123-K127 HydrophobicContact CE1-CG 3.82Å; Y123-K127 HydrophobicContact CE2-CD 4.2Å; Y123-K127 HydrophobicContact CE2-CG 4.15Å; Y123-K127 WeakPolarHBondContact O-CG 3.19Å; Y123-K127 PolarHBondContact O-N 3.33Å; Y123-T489 HydrophobicContact CD2-CG2 3.8Å; Y123-T489 HydrophobicContact CE2-CG2 4.36Å; Y123-T489 HydrophobicContact CG-CG2 4.12Å; Y123-L491 HydrophobicContact CD2-CB 4.04Å; Y123-L491 HydrophobicContact CD2-CD2 3.54Å; Y123-L491 HydrophobicContact CD2-CG 4.45Å; Y123-L491 HydrophobicContact CE2-CB 4.08Å; Y123-L491 HydrophobicContact CE2-CD2 3.78Å
124	V	98.3	Very high	95.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-46.7	177.2	171.3	0	0	0	0	110.9	V48 V108 Q109 I112 F116 Y120 R121 R126 K127 V128	V48-V124 HydrophobicContact CG1-CG2 4.3Å; V48-V124 HydrophobicContact CG2-CG2 3.6Å; V108-V124 HydrophobicContact CG1-CG1 4.18Å; V108-V124 HydrophobicContact CG1-CG2 3.92Å; Q109-V124 HydrophobicContact CB-CG1 3.72Å; Q109-V124 HydrophobicContact CG-CG1 4.27Å; I112-V124 HydrophobicContact CD1-CB 4.34Å; I112-V124 HydrophobicContact CD1-CG1 4.15Å; F116-V124 HydrophobicContact CD1-CG2 4.46Å; F116-V124 HydrophobicContact CE1-CG2 3.94Å; Y120-V124 WeakPolarHBondContact O-CG2 3.42Å; Y120-V124 PolarHBondContact O-N 3.34Å; R121-V124 PolarHBondContact O-N 3.24Å; V124-R126 VanDerWaalsContact C-N 3.3Å; V124-R126 PolarHBondContact O-N 2.87Å; V124-K127 PolarHBondContact O-N 2.98Å; V124-V128 WeakPolarHBondContact O-CG2 3.31Å; V124-V128 PolarHBondContact O-N 3.16Å
125	D	96.5	Very high	95.7	Very high	75 Å²	75	35.2 Å²	35.2	40%	0.401	19%	0.185	S	C	.	.	H	α-helix	trans	-59	-42.6	177.3	-73.1	-23.9	0	0	0	111.8	Q109 R121 R122 Y123 V128 Q129	Q109-D125 PolarHBondContact NE2-OD1 3.03Å; R121-D125 PolarHBondContact O-N 3.45Å; R122-D125 PolarHBondContact O-N 3.38Å; Y123-D125 VanDerWaalsContact C-N 3.35Å; Y123-D125 PolarHBondContact O-N 3.33Å; D125-V128 PolarHBondContact O-N 3.43Å; D125-Q129 WeakPolarHBondContact O-CB 3.41Å; D125-Q129 PolarHBondContact O-N 3.13Å
126	R	96.3	Very high	96.4	Very high	32 Å²	32	32.1 Å²	32.1	12%	0.121	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-42	177.7	-173.5	61.1	62.9	87.9	-0.4	111.6	R122 Y123 V124 V128 Q129 L130 L491 F492	R122-R126 VanDerWaalsContact O-CB 3.28Å; R122-R126 WeakPolarHBondContact O-CB 3.42Å; R122-R126 PolarHBondContact O-N 2.8Å; Y123-R126 PolarHBondContact O-N 2.88Å; V124-R126 VanDerWaalsContact C-N 3.3Å; V124-R126 PolarHBondContact O-N 2.87Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 2.87Å; R126-Q129 PolarHBondContact O-N 3.41Å; R126-L130 HydrophobicContact CG-CD1 4.13Å; R126-L130 HydrophobicContact CG-CG 4.39Å; R126-L130 WeakPolarHBondContact O-CB 3.17Å; R126-L130 VanDerWaalsContact O-CG 3.26Å; R126-L130 WeakPolarHBondContact O-CG 3.35Å; R126-L130 PolarHBondContact O-N 3.42Å; R126-L491 HydrophobicContact CB-CD2 4.02Å; R126-L491 HydrophobicContact CG-CD2 3.73Å; R126-L491 HydrophobicContact CG-CG 4.44Å; R126-F492 HydrophobicContact CB-CE1 4.45Å; R126-F492 HydrophobicContact CB-CZ 4.06Å; R126-F492 HydrophobicContact CG-CE1 4.34Å; R126-F492 HydrophobicContact CG-CZ 4.41Å
127	K	97.6	Very high	96.3	Very high	34 Å²	34	35.7 Å²	35.7	15%	0.148	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-40.2	176.1	-68.1	-65.9	-64.3	-169.3	0	111.7	E55 F105 Y123 V124 L130 G131 L491	E55-K127 IonicContact OE1-NZ 3.88Å; E55-K127 PolarHBondContact OE1-NZ 3.25Å; F105-K127 HydrophobicContact CD1-CB 3.61Å; F105-K127 HydrophobicContact CD1-CG 4.08Å; F105-K127 HydrophobicContact CD2-CB 4.21Å; F105-K127 HydrophobicContact CE1-CB 3.76Å; F105-K127 HydrophobicContact CE1-CG 3.67Å; F105-K127 HydrophobicContact CE2-CB 4.34Å; F105-K127 HydrophobicContact CE2-CG 4.38Å; F105-K127 HydrophobicContact CG-CB 3.85Å; F105-K127 HydrophobicContact CZ-CB 4.13Å; F105-K127 HydrophobicContact CZ-CD 4.37Å; F105-K127 HydrophobicContact CZ-CG 3.84Å; Y123-K127 HydrophobicContact CD1-CG 4.2Å; Y123-K127 HydrophobicContact CE1-CD 4.48Å; Y123-K127 HydrophobicContact CE1-CG 3.82Å; Y123-K127 HydrophobicContact CE2-CD 4.2Å; Y123-K127 HydrophobicContact CE2-CG 4.15Å; Y123-K127 WeakPolarHBondContact O-CG 3.19Å; Y123-K127 PolarHBondContact O-N 3.33Å; V124-K127 PolarHBondContact O-N 2.98Å; K127-L130 PolarHBondContact O-N 3.17Å; K127-G131 PolarHBondContact O-N 3.11Å; K127-L491 HydrophobicContact CD-CD2 4.47Å
128	V	97.6	Very high	96.4	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-42.3	173.3	173.8	0	0	0	0	111.2	F102 F105 V106 Q109 V124 D125 R126 G131 R132	F102-V128 HydrophobicContact CE2-CG1 4.14Å; F102-V128 WeakPolarHBondContact CE2-O 3.38Å; F105-V128 HydrophobicContact CB-CG2 4Å; V106-V128 HydrophobicContact CG2-CG1 4.12Å; V106-V128 HydrophobicContact CG2-CG2 4.13Å; Q109-V128 HydrophobicContact CB-CG2 4.17Å; V124-V128 WeakPolarHBondContact O-CG2 3.31Å; V124-V128 PolarHBondContact O-N 3.16Å; D125-V128 PolarHBondContact O-N 3.43Å; R126-V128 VanDerWaalsContact C-N 3.34Å; R126-V128 PolarHBondContact O-N 2.87Å; V128-G131 PolarHBondContact O-N 2.94Å; V128-R132 WeakPolarHBondContact O-CG 3.3Å; V128-R132 PolarHBondContact O-N 3.39Å
129	Q	95.4	Very high	96.3	Very high	35 Å²	35	36.4 Å²	36.4	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-47.2	176.2	-172.5	175.7	22.6	0	0	111.5	D125 R126 G131 R132 R133 D263 L264	D125-Q129 WeakPolarHBondContact O-CB 3.41Å; D125-Q129 PolarHBondContact O-N 3.13Å; R126-Q129 PolarHBondContact O-N 3.41Å; Q129-G131 PolarHBondContact O-N 3.49Å; Q129-R132 WeakPolarHBondContact O-CB 3.13Å; Q129-R132 PolarHBondContact O-N 3.25Å; Q129-R132 VanDerWaalsContact O-N 3.13Å; Q129-R133 VanDerWaalsContact O-CG 3.28Å; Q129-R133 WeakPolarHBondContact O-CG 3.47Å; Q129-R133 PolarHBondContact O-N 3.37Å; Q129-D263 PolarHBondContact NE2-O 2.92Å; Q129-D263 PolarHBondContact NE2-OD2 3.06Å; Q129-D263 VanDerWaalsContact NE2-OD2 3.08Å; Q129-L264 HydrophobicContact CG-CD2 4.01Å
130	L	96	Very high	96.2	Very high	53 Å²	53	39.2 Å²	39.2	28%	0.277	18%	0.182	S	C	.	.	H	α-helix	trans	-59.6	-43.9	176.9	-69.5	170.8	0	0	0	111.7	R126 K127 R132 R133 N134 L264 L491	R126-L130 HydrophobicContact CG-CD1 4.13Å; R126-L130 HydrophobicContact CG-CG 4.39Å; R126-L130 WeakPolarHBondContact O-CB 3.17Å; R126-L130 VanDerWaalsContact O-CG 3.26Å; R126-L130 WeakPolarHBondContact O-CG 3.35Å; R126-L130 PolarHBondContact O-N 3.42Å; K127-L130 PolarHBondContact O-N 3.17Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3Å; L130-R133 CarbonylContact O-C 3.48Å; L130-R133 WeakPolarHBondContact O-CB 3.22Å; L130-R133 PolarHBondContact O-N 3.48Å; L130-R133 VanDerWaalsContact O-N 3.11Å; L130-N134 PolarHBondContact O-N 3.39Å; L130-L264 HydrophobicContact CD2-CD2 4.38Å; L130-L491 HydrophobicContact CD1-CD1 4.49Å
131	G	97.4	Very high	96.1	Very high	7 Å²	7	44.4 Å²	44.4	7%	0.072	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-36.5	174.8	0	0	0	0	0	113.3	K127 V128 Q129 N134 G135 L136	K127-G131 PolarHBondContact O-N 3.11Å; V128-G131 PolarHBondContact O-N 2.94Å; Q129-G131 PolarHBondContact O-N 3.49Å; G131-N134 CarbonylContact O-C 3.57Å; G131-N134 PolarHBondContact O-N 2.8Å; G131-G135 PolarHBondContact O-N 3.1Å; G131-L136 VanDerWaalsContact O-CB 3.25Å; G131-L136 WeakPolarHBondContact O-CB 3.28Å; G131-L136 WeakPolarHBondContact O-CG 3.44Å; G131-L136 PolarHBondContact O-N 2.8Å
132	R	95.7	Very high	96	Very high	129 Å²	129	44 Å²	44	49%	0.487	21%	0.21	S	C	.	.	H	α-helix	trans	-66.4	-41.1	172.7	-72.4	175.5	179.2	-99.7	2.1	112	F102 V128 Q129 L130 N134 G135 H137	F102-R132 HydrophobicContact CE2-CG 4.34Å; F102-R132 HydrophobicContact CZ-CG 4.16Å; V128-R132 WeakPolarHBondContact O-CG 3.3Å; V128-R132 PolarHBondContact O-N 3.39Å; Q129-R132 WeakPolarHBondContact O-CB 3.13Å; Q129-R132 PolarHBondContact O-N 3.25Å; Q129-R132 VanDerWaalsContact O-N 3.13Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3Å; R132-N134 PolarHBondContact O-N 2.83Å; R132-G135 WeakPolarHBondContact O-CA 3.48Å; R132-G135 PolarHBondContact O-N 2.75Å; R132-H137 HydrophobicContact CG-CB 4.48Å; R132-H137 PolarHBondContact O-CE1 2.9Å; R132-H137 PolarHBondContact O-ND1 2.93Å; R132-H137 VanDerWaalsContact O-ND1 3.11Å
133	R	94.4	Very high	95.9	Very high	15 Å²	15	43.7 Å²	43.7	6%	0.057	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-27.3	175.5	-68.4	171	66.3	73.6	6	112.8	Q129 L130 G135 L252 F260 D263	Q129-R133 VanDerWaalsContact O-CG 3.28Å; Q129-R133 WeakPolarHBondContact O-CG 3.47Å; Q129-R133 PolarHBondContact O-N 3.37Å; L130-R133 CarbonylContact O-C 3.48Å; L130-R133 WeakPolarHBondContact O-CB 3.22Å; L130-R133 PolarHBondContact O-N 3.48Å; L130-R133 VanDerWaalsContact O-N 3.11Å; R133-G135 PolarHBondContact O-N 3.12Å; R133-L252 WeakPolarHBondContact O-CD1 3.15Å; R133-L252 WeakPolarHBondContact O-CD2 3.43Å; R133-F260 HydrophobicContact CB-CE2 3.88Å; R133-F260 HydrophobicContact CB-CZ 4.36Å; R133-F260 HydrophobicContact CG-CE2 4.1Å; R133-F260 VanDerWaalsContact CZ-CE2 3.46Å; R133-F260 VanDerWaalsContact CZ-O 3.28Å; R133-F260 PolarHBondContact NH1-O 2.91Å; R133-F260 VanDerWaalsContact NH2-CE2 3.35Å; R133-F260 PolarHBondContact NH2-O 3.04Å; R133-D263 IonicContact NH1-OD2 2.88Å; R133-D263 PolarHBondContact NH1-OD2 3.27Å
134	N	95.7	Very high	95.9	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.102	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	9.4	171.1	-68.2	-14.5	0	0	0	113	E96 M97 L130 G131 R132 L136	E96-N134 WeakPolarHBondContact CB-ND2 3.47Å; E96-N134 PolarHBondContact OE2-ND2 3.36Å; M97-N134 WeakPolarHBondContact CE-O 3.48Å; M97-N134 HydrophobicContact SD-CB 3.91Å; L130-N134 PolarHBondContact O-N 3.39Å; G131-N134 CarbonylContact O-C 3.57Å; G131-N134 PolarHBondContact O-N 2.8Å; R132-N134 PolarHBondContact O-N 2.83Å; N134-L136 VanDerWaalsContact C-N 3.28Å; N134-L136 HydrophobicContact CB-CG 4.49Å; N134-L136 PolarHBondContact O-N 2.59Å
135	G	96.5	Very high	95.8	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	14.2	175.8	0	0	0	0	0	114.6	G131 R132 R133 H137 L138 R143	G131-G135 PolarHBondContact O-N 3.1Å; R132-G135 WeakPolarHBondContact O-CA 3.48Å; R132-G135 PolarHBondContact O-N 2.75Å; R133-G135 PolarHBondContact O-N 3.12Å; G135-H137 PolarHBondContact O-N 3.38Å; G135-L138 VanDerWaalsContact O-CB 3.24Å; G135-L138 WeakPolarHBondContact O-CB 3.32Å; G135-L138 PolarHBondContact O-N 3.34Å; G135-R143 VanDerWaalsContact O-CG 3.25Å; G135-R143 WeakPolarHBondContact O-CG 3.34Å
136	L	97.1	Very high	95.8	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12	-176.9	-65.4	179.2	0	0	0	114.9	E96 M97 K99 F102 G131 N134	E96-L136 WeakPolarHBondContact O-CD1 3.28Å; M97-L136 HydrophobicContact CE-CD2 4.34Å; M97-L136 VanDerWaalsContact O-CD2 3.29Å; M97-L136 WeakPolarHBondContact O-CD2 3.25Å; M97-L136 HydrophobicContact SD-CD2 4.49Å; K99-L136 HydrophobicContact CB-CD2 4.33Å; F102-L136 HydrophobicContact CB-CB 4.28Å; F102-L136 HydrophobicContact CB-CD1 3.32Å; F102-L136 HydrophobicContact CB-CG 4.42Å; F102-L136 HydrophobicContact CD1-CB 3.6Å; F102-L136 HydrophobicContact CD1-CD1 4.25Å; F102-L136 HydrophobicContact CD2-CB 4.39Å; F102-L136 HydrophobicContact CD2-CD1 4.15Å; F102-L136 HydrophobicContact CE1-CB 3.95Å; F102-L136 HydrophobicContact CG-CB 3.84Å; F102-L136 HydrophobicContact CG-CD1 3.67Å; F102-L136 HydrophobicContact CG-CG 4.42Å; F102-L136 HydrophobicContact CZ-CB 4.47Å; G131-L136 VanDerWaalsContact O-CB 3.25Å; G131-L136 WeakPolarHBondContact O-CB 3.28Å; G131-L136 WeakPolarHBondContact O-CG 3.44Å; G131-L136 PolarHBondContact O-N 2.8Å; N134-L136 VanDerWaalsContact C-N 3.28Å; N134-L136 HydrophobicContact CB-CG 4.49Å; N134-L136 PolarHBondContact O-N 2.59Å
137	H	93.7	Very high	95.8	Very high	88 Å²	88	51.2 Å²	51.2	41%	0.407	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.4	172.7	67.2	-72.8	0	0	0	113.4	R132 G135	R132-H137 HydrophobicContact CG-CB 4.48Å; R132-H137 PolarHBondContact O-CE1 2.9Å; R132-H137 PolarHBondContact O-ND1 2.93Å; R132-H137 VanDerWaalsContact O-ND1 3.11Å; G135-H137 PolarHBondContact O-N 3.38Å
138	L	95.1	Very high	95.8	Very high	33 Å²	33	52.4 Å²	52.4	17%	0.173	26%	0.26	C	S	.	.	S	Bend	trans	-95.6	173.1	-179.4	-55.3	175.9	0	0	0	111.5	G135 K142 I146 L252	G135-L138 VanDerWaalsContact O-CB 3.24Å; G135-L138 WeakPolarHBondContact O-CB 3.32Å; G135-L138 PolarHBondContact O-N 3.34Å; L138-K142 HydrophobicContact CB-CB 4.17Å; L138-K142 HydrophobicContact CB-CD 4.33Å; L138-K142 HydrophobicContact CD1-CB 4.25Å; L138-K142 HydrophobicContact CD1-CD 4.14Å; L138-I146 HydrophobicContact CD1-CD1 3.93Å; L138-L252 HydrophobicContact CD1-CD2 4.31Å
139	D	94.3	Very high	95.8	Very high	76 Å²	76	52.7 Å²	52.7	41%	0.406	26%	0.261	S	S	.	.			trans	-66.3	160.5	173.5	60.9	81.1	0	0	0	112.9	D141 K142 R143	D139-D141 VanDerWaalsContact C-N 3.28Å; D139-D141 PolarHBondContact O-N 3.45Å; D139-D141 PolarHBondContact OD1-N 3.02Å; D139-K142 PolarHBondContact O-N 2.71Å; D139-K142 WeakPolarHBondContact OD1-CG 3.29Å; D139-K142 PolarHBondContact OD1-N 2.96Å; D139-K142 VanDerWaalsContact OD2-CD 3.3Å; D139-K142 WeakPolarHBondContact OD2-CD 3.45Å; D139-K142 WeakPolarHBondContact OD2-CE 3.41Å; D139-K142 IonicContact OD2-NZ 2.81Å; D139-R143 WeakPolarHBondContact O-CG 3.33Å; D139-R143 PolarHBondContact O-N 2.94Å; D139-R143 VanDerWaalsContact O-N 3.08Å
140	D	93.9	Very high	95.9	Very high	80 Å²	80	51.5 Å²	51.5	43%	0.428	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-31.1	-171.6	-70	-1.8	0	0	0	113.8	R143 K144	D140-R143 VanDerWaalsContact CG-NH2 3.26Å; D140-R143 PolarHBondContact O-N 3Å; D140-R143 IonicContact OD1-CZ 3Å; D140-R143 IonicContact OD1-NE 2.69Å; D140-R143 PolarHBondContact OD1-NE 2.9Å; D140-R143 IonicContact OD1-NH2 3.12Å; D140-R143 PolarHBondContact OD1-NH2 3.06Å; D140-R143 IonicContact OD2-NH2 2.67Å; D140-K144 WeakPolarHBondContact O-CG 3.38Å; D140-K144 PolarHBondContact O-N 3.41Å; D140-K144 VanDerWaalsContact O-N 3.11Å
141	D	95.2	Very high	96	Very high	112 Å²	112	51.1 Å²	51.1	60%	0.599	25%	0.252	S	S	*	.	H	α-helix	trans	-71.9	-44.4	-179.5	-68.7	-23.5	0	0	0	110.6	D139 R143 K144 L145	D139-D141 VanDerWaalsContact C-N 3.28Å; D139-D141 PolarHBondContact O-N 3.45Å; D139-D141 PolarHBondContact OD1-N 3.02Å; D141-R143 VanDerWaalsContact C-N 3.32Å; D141-R143 PolarHBondContact O-N 3.15Å; D141-K144 PolarHBondContact O-N 3.22Å; D141-L145 WeakPolarHBondContact O-CG 3.3Å; D141-L145 PolarHBondContact O-N 2.72Å
142	K	95	Very high	96	Very high	81 Å²	81	54.1 Å²	54.1	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-62.5	-38.5	172.7	-70.4	-177.7	-170.6	171.4	0	112.6	L138 D139 L145 I146 L251	L138-K142 HydrophobicContact CB-CB 4.17Å; L138-K142 HydrophobicContact CB-CD 4.33Å; L138-K142 HydrophobicContact CD1-CB 4.25Å; L138-K142 HydrophobicContact CD1-CD 4.14Å; D139-K142 PolarHBondContact O-N 2.71Å; D139-K142 WeakPolarHBondContact OD1-CG 3.29Å; D139-K142 PolarHBondContact OD1-N 2.96Å; D139-K142 VanDerWaalsContact OD2-CD 3.3Å; D139-K142 WeakPolarHBondContact OD2-CD 3.45Å; D139-K142 WeakPolarHBondContact OD2-CE 3.41Å; D139-K142 IonicContact OD2-NZ 2.81Å; K142-L145 PolarHBondContact O-N 3.37Å; K142-I146 WeakPolarHBondContact O-CG1 3.27Å; K142-I146 PolarHBondContact O-N 3.34Å; K142-L251 HydrophobicContact CG-CD2 4.44Å
143	R	95.5	Very high	96.1	Very high	40 Å²	40	48.6 Å²	48.6	15%	0.151	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-46.4	177.3	-71.4	-174.2	-43.6	119.4	-0.3	111.6	M97 G135 D139 D140 D141 L145 I146 E147	M97-R143 HydrophobicContact CE-CB 3.65Å; M97-R143 HydrophobicContact CE-CG 4.18Å; M97-R143 WeakPolarHBondContact CE-O 3.46Å; G135-R143 VanDerWaalsContact O-CG 3.25Å; G135-R143 WeakPolarHBondContact O-CG 3.34Å; D139-R143 WeakPolarHBondContact O-CG 3.33Å; D139-R143 PolarHBondContact O-N 2.94Å; D139-R143 VanDerWaalsContact O-N 3.08Å; D140-R143 VanDerWaalsContact CG-NH2 3.26Å; D140-R143 PolarHBondContact O-N 3Å; D140-R143 IonicContact OD1-CZ 3Å; D140-R143 IonicContact OD1-NE 2.69Å; D140-R143 PolarHBondContact OD1-NE 2.9Å; D140-R143 IonicContact OD1-NH2 3.12Å; D140-R143 PolarHBondContact OD1-NH2 3.06Å; D140-R143 IonicContact OD2-NH2 2.67Å; D141-R143 VanDerWaalsContact C-N 3.32Å; D141-R143 PolarHBondContact O-N 3.15Å; R143-L145 VanDerWaalsContact C-N 3.3Å; R143-L145 PolarHBondContact O-N 3.43Å; R143-I146 PolarHBondContact O-N 2.89Å; R143-E147 WeakPolarHBondContact O-CB 3.48Å; R143-E147 PolarHBondContact O-N 3.02Å
144	K	95.9	Very high	96.3	Very high	130 Å²	130	50.4 Å²	50.4	57%	0.565	25%	0.254	S	S	*	.	H	α-helix	trans	-60.8	-39	176.8	-71.8	169.7	-173.4	166.1	0	112.5	D140 D141 A148	D140-K144 WeakPolarHBondContact O-CG 3.38Å; D140-K144 PolarHBondContact O-N 3.41Å; D140-K144 VanDerWaalsContact O-N 3.11Å; D141-K144 PolarHBondContact O-N 3.22Å; K144-A148 PolarHBondContact O-N 3.05Å; K144-A148 VanDerWaalsContact O-N 3.08Å
145	L	96.6	Very high	96.3	Very high	85 Å²	85	51.2 Å²	51.2	45%	0.445	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-49.7	174.8	-68.7	172.6	0	0	0	111	D141 K142 R143 E147 A148 L149 L251	D141-L145 WeakPolarHBondContact O-CG 3.3Å; D141-L145 PolarHBondContact O-N 2.72Å; K142-L145 PolarHBondContact O-N 3.37Å; R143-L145 VanDerWaalsContact C-N 3.3Å; R143-L145 PolarHBondContact O-N 3.43Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 PolarHBondContact O-N 3.47Å; L145-A148 PolarHBondContact O-N 2.89Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.19Å; L145-L149 PolarHBondContact O-N 2.82Å; L145-L251 HydrophobicContact CB-CD1 4.01Å
146	I	97	Very high	96.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-41.4	178.3	-68.5	163.4	0	0	0	111.5	L138 K142 R143 L149 N150 L251 L252	L138-I146 HydrophobicContact CD1-CD1 3.93Å; K142-I146 WeakPolarHBondContact O-CG1 3.27Å; K142-I146 PolarHBondContact O-N 3.34Å; R143-I146 PolarHBondContact O-N 2.89Å; I146-L149 PolarHBondContact O-N 3.2Å; I146-N150 WeakPolarHBondContact O-CB 3.32Å; I146-N150 VanDerWaalsContact O-CG 3.3Å; I146-N150 PolarHBondContact O-N 3.4Å; I146-L251 HydrophobicContact CD1-CB 4.39Å; I146-L251 HydrophobicContact CG1-CB 4.26Å; I146-L251 HydrophobicContact CG1-CD1 4.13Å; I146-L252 HydrophobicContact CD1-CD2 3.7Å; I146-L252 HydrophobicContact CD1-CG 4.12Å
147	E	96.8	Very high	96.5	Very high	50 Å²	50	53 Å²	53	23%	0.234	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-49.4	175.4	-170.7	-174.2	149.8	0	0	111.8	V93 M97 R143 L145 L149 N150 K151	V93-E147 HydrophobicContact CG1-CG 3.76Å; M97-E147 HydrophobicContact CE-CB 4.21Å; M97-E147 HydrophobicContact CG-CB 4.02Å; M97-E147 HydrophobicContact CG-CG 3.92Å; R143-E147 WeakPolarHBondContact O-CB 3.48Å; R143-E147 PolarHBondContact O-N 3.02Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 PolarHBondContact O-N 3.47Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 2.83Å; E147-N150 PolarHBondContact O-N 2.96Å; E147-K151 WeakPolarHBondContact O-CG 3.27Å; E147-K151 PolarHBondContact O-N 3Å; E147-K151 WeakPolarHBondContact OE1-CE 3.23Å; E147-K151 IonicContact OE1-NZ 2.71Å; E147-K151 PolarHBondContact OE1-NZ 3.45Å
148	A	97.6	Very high	96.5	Very high	59 Å²	59	49.7 Å²	49.7	49%	0.488	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-42.3	178.4	0	0	0	0	0	111.9	K144 L145 K151 E152	K144-A148 PolarHBondContact O-N 3.05Å; K144-A148 VanDerWaalsContact O-N 3.08Å; L145-A148 PolarHBondContact O-N 2.89Å; A148-K151 PolarHBondContact O-N 3.25Å; A148-E152 PolarHBondContact O-N 3.44Å
149	L	97.8	Very high	96.6	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.052	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-44.5	176.6	-66	172	0	0	0	111.7	L145 I146 E147 E152 E153 L244 E247 R248 L251	L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.19Å; L145-L149 PolarHBondContact O-N 2.82Å; I146-L149 PolarHBondContact O-N 3.2Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 2.83Å; L149-E152 PolarHBondContact O-N 2.98Å; L149-E153 WeakPolarHBondContact O-CB 3.46Å; L149-E153 PolarHBondContact O-N 3.47Å; L149-L244 HydrophobicContact CD2-CD2 3.31Å; L149-E247 HydrophobicContact CD1-CB 4.21Å; L149-E247 HydrophobicContact CD1-CG 3.94Å; L149-E247 HydrophobicContact CD2-CB 4.44Å; L149-E247 HydrophobicContact CD2-CG 4.4Å; L149-R248 HydrophobicContact CD1-CB 4.07Å; L149-L251 HydrophobicContact CD1-CD1 3.7Å
150	N	96.8	Very high	96.7	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.048	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-43.3	179.1	-75.7	-12.2	0	0	0	112	V93 I146 E147 E153 N154 R248	V93-N150 HydrophobicContact CG1-CB 3.91Å; V93-N150 HydrophobicContact CG2-CB 4.05Å; I146-N150 WeakPolarHBondContact O-CB 3.32Å; I146-N150 VanDerWaalsContact O-CG 3.3Å; I146-N150 PolarHBondContact O-N 3.4Å; E147-N150 PolarHBondContact O-N 2.96Å; N150-E153 PolarHBondContact O-N 3.12Å; N150-N154 VanDerWaalsContact O-CG 3.3Å; N150-N154 PolarHBondContact O-N 2.94Å; N150-R248 WeakPolarHBondContact OD1-CD 3.45Å; N150-R248 PolarHBondContact OD1-NH1 3.32Å
151	K	97.8	Very high	96.8	Very high	45 Å²	45	45.3 Å²	45.3	20%	0.196	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-50.1	175.4	-73.8	179.5	174	169.4	0	110.5	D90 V93 E94 E147 A148 E153 N154 Q155	D90-K151 WeakPolarHBondContact O-CE 3.46Å; V93-K151 HydrophobicContact CB-CG 4.02Å; V93-K151 HydrophobicContact CG1-CG 3.83Å; V93-K151 HydrophobicContact CG2-CG 4.34Å; E94-K151 IonicContact OE1-NZ 2.72Å; E94-K151 PolarHBondContact OE1-NZ 3.45Å; E147-K151 WeakPolarHBondContact O-CG 3.27Å; E147-K151 PolarHBondContact O-N 3Å; E147-K151 WeakPolarHBondContact OE1-CE 3.23Å; E147-K151 IonicContact OE1-NZ 2.71Å; E147-K151 PolarHBondContact OE1-NZ 3.45Å; A148-K151 PolarHBondContact O-N 3.25Å; K151-E153 PolarHBondContact O-N 3.29Å; K151-N154 PolarHBondContact O-N 3.34Å; K151-Q155 VanDerWaalsContact O-CG 3.3Å; K151-Q155 WeakPolarHBondContact O-CG 3.35Å; K151-Q155 PolarHBondContact O-N 2.92Å; K151-Q155 VanDerWaalsContact O-N 3.13Å
152	E	98.3	Very high	96.7	Very high	71 Å²	71	44.1 Å²	44.1	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-44.8	179.7	-164.8	-177.8	163.4	0	0	112	A148 L149 N154 Q155 L156 R240 L244	A148-E152 PolarHBondContact O-N 3.44Å; L149-E152 PolarHBondContact O-N 2.98Å; E152-N154 PolarHBondContact O-N 3.01Å; E152-Q155 PolarHBondContact O-N 3.24Å; E152-L156 HydrophobicContact CG-CD1 4.03Å; E152-L156 HydrophobicContact CG-CG 4.48Å; E152-L156 WeakPolarHBondContact O-CB 3.21Å; E152-L156 VanDerWaalsContact O-CG 3.25Å; E152-L156 WeakPolarHBondContact O-CG 2.98Å; E152-L156 PolarHBondContact O-N 3.27Å; E152-R240 WeakPolarHBondContact OE1-CG 3.45Å; E152-R240 IonicContact OE1-CZ 3.57Å; E152-R240 IonicContact OE1-NE 3.66Å; E152-R240 PolarHBondContact OE1-NE 3.4Å; E152-R240 IonicContact OE1-NH2 3.78Å; E152-R240 PolarHBondContact OE1-NH2 2.91Å; E152-R240 IonicContact OE2-CZ 3.56Å; E152-R240 IonicContact OE2-NE 3.96Å; E152-R240 IonicContact OE2-NH2 3.75Å; E152-R240 PolarHBondContact OE2-NH2 3.4Å; E152-L244 HydrophobicContact CB-CD1 3.99Å; E152-L244 HydrophobicContact CB-CD2 4.4Å; E152-L244 HydrophobicContact CG-CD1 3.86Å
153	E	97.6	Very high	96.7	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-49.5	176.4	171.2	167.4	-161.6	0	0	112	L149 N150 K151 Q155 L156 C157 L241 L244 R245 R248	L149-E153 WeakPolarHBondContact O-CB 3.46Å; L149-E153 PolarHBondContact O-N 3.47Å; N150-E153 PolarHBondContact O-N 3.12Å; K151-E153 PolarHBondContact O-N 3.29Å; E153-Q155 VanDerWaalsContact C-N 3.34Å; E153-Q155 PolarHBondContact O-N 3.04Å; E153-L156 WeakPolarHBondContact O-CB 3.48Å; E153-L156 PolarHBondContact O-N 3.35Å; E153-C157 PolarHBondContact O-N 2.83Å; E153-C157 PolarHBondContact O-SG 3.39Å; E153-L241 HydrophobicContact CB-CD2 4.21Å; E153-L241 HydrophobicContact CG-CD2 3.77Å; E153-L244 HydrophobicContact CB-CD1 4.38Å; E153-R245 IonicContact OE1-CZ 2.91Å; E153-R245 IonicContact OE1-NE 2.77Å; E153-R245 PolarHBondContact OE1-NE 3.26Å; E153-R245 IonicContact OE1-NH2 3.51Å; E153-R245 PolarHBondContact OE1-NH2 3.27Å; E153-R248 IonicContact OE1-NH2 3.26Å; E153-R248 IonicContact OE2-CZ 2.77Å; E153-R248 IonicContact OE2-NH1 3.32Å; E153-R248 PolarHBondContact OE2-NH1 2.91Å; E153-R248 IonicContact OE2-NH2 3.43Å; E153-R248 PolarHBondContact OE2-NH2 3.49Å
154	N	97.1	Very high	96.7	Very high	53 Å²	53	40.1 Å²	40.1	28%	0.283	21%	0.205	S	C	.	.	H	α-helix	trans	-62.8	-42.3	-177.2	-71	-5.6	0	0	0	111.7	S89 N150 K151 E152 L156 C157 I158	S89-N154 WeakPolarHBondContact OG-CB 2.92Å; S89-N154 PolarHBondContact OG-ND2 3Å; N150-N154 VanDerWaalsContact O-CG 3.3Å; N150-N154 PolarHBondContact O-N 2.94Å; K151-N154 PolarHBondContact O-N 3.34Å; E152-N154 PolarHBondContact O-N 3.01Å; N154-L156 PolarHBondContact O-N 2.88Å; N154-C157 PolarHBondContact O-N 2.91Å; N154-I158 WeakPolarHBondContact O-CG1 3.26Å; N154-I158 PolarHBondContact O-N 2.82Å
155	Q	97.4	Very high	96.4	Very high	36 Å²	36	34.4 Å²	34.4	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-43.9	177	-63.8	-55.1	-32.6	0	0	111.6	R86 D90 K151 E152 E153 C157 I158 D159	R86-Q155 PolarHBondContact O-NE2 2.84Å; D90-Q155 VanDerWaalsContact CG-NE2 3.34Å; D90-Q155 PolarHBondContact OD1-NE2 3.47Å; D90-Q155 PolarHBondContact OD2-NE2 3.46Å; K151-Q155 VanDerWaalsContact O-CG 3.3Å; K151-Q155 WeakPolarHBondContact O-CG 3.35Å; K151-Q155 PolarHBondContact O-N 2.92Å; K151-Q155 VanDerWaalsContact O-N 3.13Å; E152-Q155 PolarHBondContact O-N 3.24Å; E153-Q155 VanDerWaalsContact C-N 3.34Å; E153-Q155 PolarHBondContact O-N 3.04Å; Q155-C157 VanDerWaalsContact C-N 3.35Å; Q155-C157 PolarHBondContact O-N 3.15Å; Q155-I158 PolarHBondContact O-N 2.89Å; Q155-D159 PolarHBondContact O-N 3.41Å
156	L	98.4	Very high	96.2	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.131	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-40.9	176.3	-75.9	172.1	0	0	0	112.4	E152 E153 N154 D159 F160 I237 R240 L241 L244	E152-L156 HydrophobicContact CG-CD1 4.03Å; E152-L156 HydrophobicContact CG-CG 4.48Å; E152-L156 WeakPolarHBondContact O-CB 3.21Å; E152-L156 VanDerWaalsContact O-CG 3.25Å; E152-L156 WeakPolarHBondContact O-CG 2.98Å; E152-L156 PolarHBondContact O-N 3.27Å; E153-L156 WeakPolarHBondContact O-CB 3.48Å; E153-L156 PolarHBondContact O-N 3.35Å; N154-L156 PolarHBondContact O-N 2.88Å; L156-D159 PolarHBondContact O-N 2.79Å; L156-F160 WeakPolarHBondContact O-CB 3.47Å; L156-F160 PolarHBondContact O-N 2.82Å; L156-I237 HydrophobicContact CB-CG2 3.96Å; L156-I237 HydrophobicContact CD2-CB 4.34Å; L156-I237 HydrophobicContact CD2-CG1 3.95Å; L156-I237 HydrophobicContact CD2-CG2 4.09Å; L156-I237 WeakPolarHBondContact O-CG2 3.4Å; L156-R240 HydrophobicContact CD1-CB 3.99Å; L156-R240 HydrophobicContact CD1-CG 3.55Å; L156-L241 HydrophobicContact CB-CD2 3.8Å; L156-L241 HydrophobicContact CB-CG 4.17Å; L156-L241 HydrophobicContact CD1-CD2 4.08Å; L156-L241 HydrophobicContact CD1-CG 4.32Å; L156-L244 HydrophobicContact CD1-CD1 3.53Å
157	C	97.6	Very high	96	Very high	18 Å²	18	33.8 Å²	33.8	12%	0.122	18%	0.175	C	C	.	.	H	α-helix	trans	-64.6	-41.2	176	-70.7	0	0	0	0	112.3	E153 N154 Q155 F160 Q161 T602	E153-C157 PolarHBondContact O-N 2.83Å; E153-C157 PolarHBondContact O-SG 3.39Å; N154-C157 PolarHBondContact O-N 2.91Å; Q155-C157 VanDerWaalsContact C-N 3.35Å; Q155-C157 PolarHBondContact O-N 3.15Å; C157-F160 PolarHBondContact O-N 2.83Å; C157-Q161 PolarHBondContact O-N 3.21Å; C157-Q161 VanDerWaalsContact O-N 3.15Å; C157-T602 PolarHBondContact SG-O 3.24Å; C157-T602 VanDerWaalsContact SG-O 3.41Å
158	I	94.9	Very high	95.8	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.097	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-45.5	174.3	-67.8	164.8	0	0	0	110.4	T85 R86 N154 Q155 F160 Q161 R162	T85-I158 HydrophobicContact CG2-CD1 3.95Å; T85-I158 HydrophobicContact CG2-CG1 4.34Å; R86-I158 HydrophobicContact CG-CD1 4.06Å; R86-I158 HydrophobicContact CG-CG2 4.24Å; N154-I158 WeakPolarHBondContact O-CG1 3.26Å; N154-I158 PolarHBondContact O-N 2.82Å; Q155-I158 PolarHBondContact O-N 2.89Å; I158-F160 PolarHBondContact O-N 2.89Å; I158-Q161 PolarHBondContact O-N 2.88Å; I158-R162 WeakPolarHBondContact O-CB 3.49Å; I158-R162 PolarHBondContact O-N 2.92Å
159	D	96.4	Very high	95.7	Very high	62 Å²	62	37.1 Å²	37.1	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-63.9	-41	179.1	-74.6	-13.3	0	0	0	112.2	R86 Q155 L156 Q161 R162 A163 I237	R86-D159 IonicContact CZ-OD1 3.21Å; R86-D159 IonicContact NE-OD1 2.9Å; R86-D159 IonicContact NH2-OD1 3.77Å; R86-D159 PolarHBondContact NH2-OD1 3.42Å; Q155-D159 PolarHBondContact O-N 3.41Å; L156-D159 PolarHBondContact O-N 2.79Å; D159-Q161 VanDerWaalsContact C-N 3.34Å; D159-Q161 PolarHBondContact O-N 3.45Å; D159-R162 PolarHBondContact O-N 2.95Å; D159-A163 PolarHBondContact O-N 3.31Å; D159-I237 HydrophobicContact CB-CD1 3.91Å
160	F	97.7	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-46.7	175.5	-168.2	-77.4	0	0	0	111.6	L156 C157 I158 L164 N234 I237 A596 L599 T602	L156-F160 WeakPolarHBondContact O-CB 3.47Å; L156-F160 PolarHBondContact O-N 2.82Å; C157-F160 PolarHBondContact O-N 2.83Å; I158-F160 PolarHBondContact O-N 2.89Å; F160-L164 HydrophobicContact CD1-CD1 3.95Å; F160-L164 HydrophobicContact CE1-CD1 3.75Å; F160-L164 PolarHBondContact O-N 3.13Å; F160-N234 WeakPolarHBondContact CA-OD1 3.26Å; F160-N234 HydrophobicContact CD2-CB 3.6Å; F160-N234 VanDerWaalsContact CD2-CG 3.5Å; F160-N234 HydrophobicContact CE2-CB 3.49Å; F160-N234 VanDerWaalsContact CE2-CB 3.49Å; F160-N234 HydrophobicContact CG-CB 4.35Å; F160-N234 HydrophobicContact CZ-CB 4.12Å; F160-N234 PolarHBondContact O-ND2 2.91Å; F160-I237 HydrophobicContact CB-CG2 4.17Å; F160-I237 HydrophobicContact CD2-CB 4.43Å; F160-I237 HydrophobicContact CD2-CG2 3.95Å; F160-A596 VanDerWaalsContact CZ-O 3.24Å; F160-A596 WeakPolarHBondContact CZ-O 3.38Å; F160-L599 HydrophobicContact CD1-CD1 4.25Å; F160-T602 HydrophobicContact CB-CG2 4.12Å; F160-T602 HydrophobicContact CD1-CG2 3.98Å; F160-T602 HydrophobicContact CD2-CG2 3.77Å; F160-T602 HydrophobicContact CE1-CG2 4.32Å; F160-T602 HydrophobicContact CE2-CG2 4.09Å; F160-T602 HydrophobicContact CG-CG2 3.7Å; F160-T602 HydrophobicContact CZ-CG2 4.37Å
161	Q	94.9	Very high	95.8	Very high	35 Å²	35	41.9 Å²	41.9	16%	0.164	21%	0.213	C	C	.	.	H	α-helix	trans	-70.1	-39.1	179.3	-173.2	171	-1.9	0	0	112.1	H70 C157 I158 D159 A163 L164 N165 L599	H70-Q161 VanDerWaalsContact CE1-CD 3.49Å; H70-Q161 PolarHBondContact CE1-NE2 3.47Å; H70-Q161 PolarHBondContact ND1-NE2 2.63Å; H70-Q161 PolarHBondContact NE2-NE2 3.5Å; C157-Q161 PolarHBondContact O-N 3.21Å; C157-Q161 VanDerWaalsContact O-N 3.15Å; I158-Q161 PolarHBondContact O-N 2.88Å; D159-Q161 VanDerWaalsContact C-N 3.34Å; D159-Q161 PolarHBondContact O-N 3.45Å; Q161-A163 VanDerWaalsContact C-N 3.32Å; Q161-A163 PolarHBondContact O-N 3.47Å; Q161-L164 PolarHBondContact O-N 2.85Å; Q161-L164 VanDerWaalsContact O-N 3.15Å; Q161-N165 PolarHBondContact O-N 3.36Å; Q161-L599 HydrophobicContact CB-CD1 3.77Å; Q161-L599 HydrophobicContact CG-CD1 3.85Å; Q161-L599 HydrophobicContact CG-CD2 4.41Å
162	R	93.6	Very high	95.8	Very high	87 Å²	87	45.5 Å²	45.5	33%	0.328	23%	0.229	S	C	.	.	H	α-helix	trans	-58.8	-45.1	175.8	-173.8	-174.9	-173.6	176.9	8.2	111.2	D79 I158 D159 L164 N165 E166	D79-R162 IonicContact OD1-CZ 2.62Å; D79-R162 IonicContact OD1-NH2 3.37Å; D79-R162 PolarHBondContact OD1-NH2 3.44Å; I158-R162 WeakPolarHBondContact O-CB 3.49Å; I158-R162 PolarHBondContact O-N 2.92Å; D159-R162 PolarHBondContact O-N 2.95Å; R162-L164 PolarHBondContact O-N 2.72Å; R162-N165 PolarHBondContact O-N 3.43Å; R162-E166 HydrophobicContact CG-CG 4.33Å; R162-E166 WeakPolarHBondContact O-CG 3.46Å; R162-E166 PolarHBondContact O-N 3.22Å
163	A	95.6	Very high	95.8	Very high	22 Å²	22	42.5 Å²	42.5	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-36.9	177.4	0	0	0	0	0	112	D159 Q161 E167 C230 E233 N234	D159-A163 PolarHBondContact O-N 3.31Å; Q161-A163 VanDerWaalsContact C-N 3.32Å; Q161-A163 PolarHBondContact O-N 3.47Å; A163-E167 PolarHBondContact O-N 3.27Å; A163-C230 HydrophobicContact CB-CB 4.36Å; A163-C230 PolarHBondContact O-SG 2.93Å; A163-C230 VanDerWaalsContact O-SG 3.36Å; A163-E233 HydrophobicContact CB-CB 4.05Å; A163-E233 HydrophobicContact CB-CG 4.46Å; A163-N234 WeakPolarHBondContact CB-OD1 3.46Å
164	L	93.8	Very high	95.8	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-74.1	-40.6	177.6	-68	170.4	0	0	0	113.5	F160 Q161 R162 E166 E167 C230 L599	F160-L164 HydrophobicContact CD1-CD1 3.95Å; F160-L164 HydrophobicContact CE1-CD1 3.75Å; F160-L164 PolarHBondContact O-N 3.13Å; Q161-L164 PolarHBondContact O-N 2.85Å; Q161-L164 VanDerWaalsContact O-N 3.15Å; R162-L164 PolarHBondContact O-N 2.72Å; L164-E166 VanDerWaalsContact C-N 3.33Å; L164-E167 WeakPolarHBondContact O-CB 3.12Å; L164-E167 PolarHBondContact O-N 2.86Å; L164-C230 HydrophobicContact CD2-CB 4.38Å; L164-L599 HydrophobicContact CD1-CB 4.06Å; L164-L599 HydrophobicContact CD1-CD1 4.18Å
165	N	90.1	Very high	95.9	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.059	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-40.2	179.1	-69	-17.3	0	0	0	111.1	Q161 R162 E167	Q161-N165 PolarHBondContact O-N 3.36Å; R162-N165 PolarHBondContact O-N 3.43Å; N165-E167 VanDerWaalsContact C-N 3.32Å
166	E	92.5	Very high	95.9	Very high	57 Å²	57	48.3 Å²	48.3	27%	0.266	25%	0.245	S	C	.	.	S	Bend	trans	-85.2	-1.8	-179.5	-60.7	-68.6	129.8	0	0	113.3	K75 R78 R162 L164 N168	K75-E166 WeakPolarHBondContact CE-OE2 3.36Å; K75-E166 IonicContact NZ-OE2 2.73Å; R78-E166 IonicContact CZ-OE1 3.03Å; R78-E166 IonicContact NE-OE1 3.72Å; R78-E166 PolarHBondContact NE-OE1 3.41Å; R78-E166 IonicContact NH2-OE1 2.66Å; R78-E166 PolarHBondContact NH2-OE1 2.8Å; R78-E166 VanDerWaalsContact NH2-OE1 3.11Å; R78-E166 IonicContact NH2-OE2 2.87Å; R162-E166 HydrophobicContact CG-CG 4.33Å; R162-E166 WeakPolarHBondContact O-CG 3.46Å; R162-E166 PolarHBondContact O-N 3.22Å; L164-E166 VanDerWaalsContact C-N 3.33Å; E166-N168 PolarHBondContact O-N 3.4Å
167	E	92.7	Very high	95.9	Very high	15 Å²	15	50 Å²	50	7%	0.07	25%	0.252	C	S	.	.			trans	-62.2	117.6	173.7	-159.7	-69	118.2	0	0	110.5	A163 L164 N165 T169 K202 R229	A163-E167 PolarHBondContact O-N 3.27Å; L164-E167 WeakPolarHBondContact O-CB 3.12Å; L164-E167 PolarHBondContact O-N 2.86Å; N165-E167 VanDerWaalsContact C-N 3.32Å; E167-T169 WeakPolarHBondContact OE1-CA 3.43Å; E167-T169 WeakPolarHBondContact OE1-CB 3.32Å; E167-T169 PolarHBondContact OE1-N 3.07Å; E167-T169 PolarHBondContact OE1-OG1 3Å; E167-K202 PolarHBondContact O-NZ 3.08Å; E167-R229 HydrophobicContact CG-CB 4.16Å; E167-R229 HydrophobicContact CG-CG 3.92Å; E167-R229 WeakPolarHBondContact OE2-CD 3.25Å
168	N	92.9	Very high	95.9	Very high	119 Å²	119	49.1 Å²	49.1	64%	0.636	25%	0.246	S	C	*	.			trans	-138.3	25.5	-170.4	67.9	-6.4	0	0	0	113.4	E166 L170	E166-N168 PolarHBondContact O-N 3.4Å; N168-L170 PolarHBondContact O-N 3.17Å
169	T	96.1	Very high	96	Very high	59 Å²	59	51.7 Å²	51.7	36%	0.362	26%	0.263	S	S	.	.			trans	-57.2	131.2	177.1	-57.5	0	0	0	0	110.3	E167 L171 L201	E167-T169 WeakPolarHBondContact OE1-CA 3.43Å; E167-T169 WeakPolarHBondContact OE1-CB 3.32Å; E167-T169 PolarHBondContact OE1-N 3.07Å; E167-T169 PolarHBondContact OE1-OG1 3Å; T169-L171 HydrophobicContact CG2-CD2 4.46Å; T169-L201 HydrophobicContact CG2-CD1 3.98Å; T169-L201 HydrophobicContact CG2-CG 4.41Å
170	L	97.2	Very high	95.9	Very high	85 Å²	85	50.9 Å²	50.9	45%	0.445	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.2	177.5	-64.4	171.1	0	0	0	109.7	N168 E198 V199	N168-L170 PolarHBondContact O-N 3.17Å; L170-E198 HydrophobicContact CB-CG 4.27Å; L170-E198 HydrophobicContact CD1-CG 4.06Å; L170-E198 HydrophobicContact CD2-CG 3.91Å; L170-E198 HydrophobicContact CG-CG 4.3Å; L170-V199 WeakPolarHBondContact CA-O 3.31Å
171	L	98.4	Very high	95.8	Very high	34 Å²	34	51.5 Å²	51.5	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	163.9	170.9	-58.3	-177.7	0	0	0	110	T169 F173 V199 L201 T221 L222 A225	T169-L171 HydrophobicContact CG2-CD2 4.46Å; L171-F173 HydrophobicContact CB-CD2 4.32Å; L171-F173 HydrophobicContact CB-CE2 3.6Å; L171-F173 HydrophobicContact CB-CZ 4.1Å; L171-F173 HydrophobicContact CD1-CE2 3.99Å; L171-F173 HydrophobicContact CD1-CZ 3.91Å; L171-F173 HydrophobicContact CG-CE2 4.48Å; L171-V199 PolarHBondContact N-O 3.09Å; L171-V199 PolarHBondContact O-N 3Å; L171-L201 HydrophobicContact CD1-CD2 4.38Å; L171-T221 HydrophobicContact CD1-CG2 4.29Å; L171-L222 HydrophobicContact CD1-CD1 3.88Å; L171-A225 HydrophobicContact CD1-CB 3.84Å; L171-A225 HydrophobicContact CD2-CB 4.37Å; L171-A225 HydrophobicContact CG-CB 4.47Å
172	K	98.5	Very high	95.6	Very high	121 Å²	121	50.8 Å²	50.8	53%	0.526	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	115.7	-176.8	-61	175.7	-174.8	172	0	110	L192 K196 R197	K172-L192 HydrophobicContact CD-CD1 3.74Å; K172-L192 HydrophobicContact CG-CD1 3.86Å; K172-K196 HydrophobicContact CB-CB 4.27Å; K172-K196 HydrophobicContact CB-CD 3.96Å; K172-R197 WeakPolarHBondContact CA-O 3.5Å
173	F	98.6	Very high	95.4	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.035	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.8	-179.9	-62.7	-77.2	0	0	0	111.1	L171 E177 L178 K196 R197 V199 T218 T221 L222	L171-F173 HydrophobicContact CB-CD2 4.32Å; L171-F173 HydrophobicContact CB-CE2 3.6Å; L171-F173 HydrophobicContact CB-CZ 4.1Å; L171-F173 HydrophobicContact CD1-CE2 3.99Å; L171-F173 HydrophobicContact CD1-CZ 3.91Å; L171-F173 HydrophobicContact CG-CE2 4.48Å; F173-E177 VanDerWaalsContact CA-OE2 3.23Å; F173-E177 WeakPolarHBondContact CA-OE2 3.18Å; F173-E177 HydrophobicContact CB-CB 4.09Å; F173-E177 HydrophobicContact CD1-CB 4.17Å; F173-L178 HydrophobicContact CB-CD1 4.2Å; F173-L178 HydrophobicContact CB-CD2 3.95Å; F173-L178 HydrophobicContact CB-CG 3.85Å; F173-L178 HydrophobicContact CD2-CD2 4.28Å; F173-L178 HydrophobicContact CG-CD2 4.17Å; F173-K196 CarbonylContact O-C 3.5Å; F173-K196 VanDerWaalsContact O-CA 3.29Å; F173-K196 WeakPolarHBondContact O-CA 3.45Å; F173-K196 VanDerWaalsContact O-CB 3.31Å; F173-K196 WeakPolarHBondContact O-CB 3.49Å; F173-R197 PolarHBondContact N-O 2.95Å; F173-R197 VanDerWaalsContact N-O 3.08Å; F173-R197 PolarHBondContact O-N 3.49Å; F173-V199 HydrophobicContact CD2-CB 3.94Å; F173-V199 HydrophobicContact CD2-CG1 4.4Å; F173-V199 HydrophobicContact CD2-CG2 3.78Å; F173-V199 HydrophobicContact CE2-CB 4.12Å; F173-V199 HydrophobicContact CE2-CG1 4.2Å; F173-V199 HydrophobicContact CE2-CG2 4.39Å; F173-T218 HydrophobicContact CD1-CG2 3.98Å; F173-T218 HydrophobicContact CE1-CG2 3.87Å; F173-T218 HydrophobicContact CG-CG2 4.47Å; F173-T218 HydrophobicContact CZ-CG2 4.28Å; F173-T221 HydrophobicContact CE1-CG2 4.26Å; F173-T221 HydrophobicContact CZ-CG2 4.14Å; F173-L222 HydrophobicContact CZ-CB 4.45Å
174	T	98.3	Very high	95	Very high	37 Å²	37	52.6 Å²	52.6	23%	0.227	29%	0.294	C	S	.	.			trans	-76.3	165.3	165.7	78.1	0	0	0	0	110.5	E176 E177 L178 K196	T174-E176 WeakPolarHBondContact CB-OE2 3.25Å; T174-E176 PolarHBondContact O-N 2.85Å; T174-E176 PolarHBondContact OG1-N 2.82Å; T174-E176 PolarHBondContact OG1-OE2 3.08Å; T174-E177 PolarHBondContact N-OE2 3.38Å; T174-E177 PolarHBondContact O-N 3.5Å; T174-E177 PolarHBondContact OG1-N 3.36Å; T174-L178 PolarHBondContact O-N 2.93Å; T174-K196 HydrophobicContact CG2-CD 4.33Å; T174-K196 HydrophobicContact CG2-CG 4.08Å
175	D	97.6	Very high	94.9	Very high	51 Å²	51	53.3 Å²	53.3	27%	0.273	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-35	176.5	-69	7.3	0	0	0	110.3	L178 T179 R197	D175-L178 CarbonylContact O-C 3.47Å; D175-L178 PolarHBondContact O-N 2.92Å; D175-L178 VanDerWaalsContact O-N 3.17Å; D175-T179 PolarHBondContact O-N 2.97Å; D175-R197 WeakPolarHBondContact OD1-CG 3.4Å; D175-R197 IonicContact OD1-CZ 2.8Å; D175-R197 IonicContact OD1-NE 3.59Å; D175-R197 PolarHBondContact OD1-NE 2.91Å; D175-R197 IonicContact OD1-NH2 2.76Å; D175-R197 IonicContact OD2-CZ 3.78Å; D175-R197 IonicContact OD2-NE 2.75Å; D175-R197 IonicContact OD2-NH2 3.84Å; D175-R197 PolarHBondContact OD2-NH2 3.46Å
176	E	97.8	Very high	95.1	Very high	136 Å²	136	53.7 Å²	53.7	64%	0.636	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-39.6	174.5	-57	76.7	-166.3	0	0	112.1	T174 L178 T179	T174-E176 WeakPolarHBondContact CB-OE2 3.25Å; T174-E176 PolarHBondContact O-N 2.85Å; T174-E176 PolarHBondContact OG1-N 2.82Å; T174-E176 PolarHBondContact OG1-OE2 3.08Å; E176-L178 PolarHBondContact O-N 2.7Å; E176-T179 WeakPolarHBondContact O-CB 3.24Å; E176-T179 PolarHBondContact O-N 3.42Å; E176-T179 PolarHBondContact O-OG1 3.33Å
177	E	98.4	Very high	95	Very high	59 Å²	59	55.9 Å²	55.9	28%	0.276	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.7	175.8	-72.1	174.3	137.7	0	0	112.1	F173 T174 K196 T218	F173-E177 VanDerWaalsContact CA-OE2 3.23Å; F173-E177 WeakPolarHBondContact CA-OE2 3.18Å; F173-E177 HydrophobicContact CB-CB 4.09Å; F173-E177 HydrophobicContact CD1-CB 4.17Å; T174-E177 PolarHBondContact N-OE2 3.38Å; T174-E177 PolarHBondContact O-N 3.5Å; T174-E177 PolarHBondContact OG1-N 3.36Å; E177-K196 IonicContact OE2-NZ 3.65Å; E177-T218 WeakPolarHBondContact O-CB 3.45Å; E177-T218 WeakPolarHBondContact O-CG2 3.15Å; E177-T218 PolarHBondContact O-OG1 2.79Å
178	L	98.4	Very high	94.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	6.6	178.4	-62.4	175.8	0	0	0	113.9	F173 T174 D175 E176 G180 C181 I186 L189 R197 I209 T218	F173-L178 HydrophobicContact CB-CD1 4.2Å; F173-L178 HydrophobicContact CB-CD2 3.95Å; F173-L178 HydrophobicContact CB-CG 3.85Å; F173-L178 HydrophobicContact CD2-CD2 4.28Å; F173-L178 HydrophobicContact CG-CD2 4.17Å; T174-L178 PolarHBondContact O-N 2.93Å; D175-L178 CarbonylContact O-C 3.47Å; D175-L178 PolarHBondContact O-N 2.92Å; D175-L178 VanDerWaalsContact O-N 3.17Å; E176-L178 PolarHBondContact O-N 2.7Å; L178-G180 PolarHBondContact O-N 3.43Å; L178-C181 WeakPolarHBondContact O-CB 3.31Å; L178-C181 PolarHBondContact O-N 2.88Å; L178-C181 VanDerWaalsContact O-N 3.1Å; L178-C181 PolarHBondContact O-SG 2.9Å; L178-I186 HydrophobicContact CB-CD1 4.02Å; L178-I186 HydrophobicContact CB-CG1 4.21Å; L178-L189 HydrophobicContact CD1-CD1 3.67Å; L178-R197 HydrophobicContact CD1-CB 4.01Å; L178-R197 HydrophobicContact CD1-CG 4.04Å; L178-I209 HydrophobicContact CD2-CD1 3.93Å; L178-I209 HydrophobicContact CD2-CG1 4.21Å; L178-I209 HydrophobicContact CD2-CG2 4.3Å; L178-T218 HydrophobicContact CD2-CG2 4.13Å
179	T	96.8	Very high	94.9	Very high	74 Å²	74	51.2 Å²	51.2	45%	0.454	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	132.8	-179.4	-61	0	0	0	0	111.9	D175 E176 S214	D175-T179 PolarHBondContact O-N 2.97Å; E176-T179 WeakPolarHBondContact O-CB 3.24Å; E176-T179 PolarHBondContact O-N 3.42Å; E176-T179 PolarHBondContact O-OG1 3.33Å; T179-S214 WeakPolarHBondContact O-CB 3.44Å; T179-S214 PolarHBondContact O-N 3.14Å; T179-S214 PolarHBondContact O-OG 3.03Å
180	G	95.2	Very high	94.9	Very high	45 Å²	45	54 Å²	54	46%	0.464	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	-24.3	-177.6	0	0	0	0	0	112.9	L178 K212	L178-G180 PolarHBondContact O-N 3.43Å; G180-K212 CarbonylContact C-O 3.47Å; G180-K212 WeakPolarHBondContact CA-O 3.32Å
181	C	95.3	Very high	94.8	Very high	12 Å²	12	55.9 Å²	55.9	8%	0.081	31%	0.307	C	S	.	.	S	Bend	trans	-67.7	149.7	168.1	-55.9	0	0	0	0	110.6	L178 F185 I186	L178-C181 WeakPolarHBondContact O-CB 3.31Å; L178-C181 PolarHBondContact O-N 2.88Å; L178-C181 VanDerWaalsContact O-N 3.1Å; L178-C181 PolarHBondContact O-SG 2.9Å; C181-F185 HydrophobicContact CB-CD1 3.81Å; C181-F185 HydrophobicContact CB-CE1 4.29Å; C181-I186 HydrophobicContact CB-CD1 4.16Å; C181-I186 HydrophobicContact CB-CG1 4.07Å
182	P	90.5	Very high	94.8	Very high	21 Å²	21	55.6 Å²	55.6	14%	0.136	31%	0.305	C	S	.	.			trans	-57.3	144.6	175.1	-26.5	37.3	0	0	0	112.8	D184 F185 I186 V336	P182-D184 WeakPolarHBondContact CB-OD1 3.45Å; P182-D184 PolarHBondContact O-N 2.95Å; P182-F185 HydrophobicContact CB-CB 4.19Å; P182-F185 WeakPolarHBondContact O-CB 3.34Å; P182-F185 PolarHBondContact O-N 2.77Å; P182-I186 PolarHBondContact O-N 3.17Å; P182-I186 VanDerWaalsContact O-N 3.12Å; P182-V336 HydrophobicContact CB-CG1 4.21Å; P182-V336 HydrophobicContact CG-CB 4.42Å; P182-V336 HydrophobicContact CG-CG1 3.87Å; P182-V336 HydrophobicContact CG-CG2 3.61Å
183	A	89.6	Confident	94.7	Very high	67 Å²	67	56.7 Å²	56.7	55%	0.554	32%	0.324	S	S	*	.	H	α-helix	trans	-63.5	-41.9	-177.6	0	0	0	0	0	112.4	F185 I186 D187	A183-F185 VanDerWaalsContact C-N 3.26Å; A183-F185 PolarHBondContact O-N 2.99Å; A183-I186 PolarHBondContact O-N 3.11Å; A183-D187 WeakPolarHBondContact O-CB 3.34Å; A183-D187 PolarHBondContact O-N 3.36Å
184	D	87.1	Confident	94.6	Very high	79 Å²	79	60.3 Å²	60.3	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-58.2	-38.6	174.6	63.5	-44.2	0	0	0	111.9	P182 G188 K339	P182-D184 WeakPolarHBondContact CB-OD1 3.45Å; P182-D184 PolarHBondContact O-N 2.95Å; D184-G188 PolarHBondContact O-N 3.48Å; D184-K339 IonicContact OD2-NZ 3.27Å
185	F	90.5	Very high	94.4	Very high	29 Å²	29	60.2 Å²	60.2	13%	0.127	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-50.9	174	170.5	-97.9	0	0	0	111.8	C181 P182 A183 D187 G188 L189 P204 P208 I209	C181-F185 HydrophobicContact CB-CD1 3.81Å; C181-F185 HydrophobicContact CB-CE1 4.29Å; P182-F185 HydrophobicContact CB-CB 4.19Å; P182-F185 WeakPolarHBondContact O-CB 3.34Å; P182-F185 PolarHBondContact O-N 2.77Å; A183-F185 VanDerWaalsContact C-N 3.26Å; A183-F185 PolarHBondContact O-N 2.99Å; F185-D187 VanDerWaalsContact C-N 3.3Å; F185-D187 PolarHBondContact O-N 3.27Å; F185-G188 PolarHBondContact O-N 3.09Å; F185-L189 HydrophobicContact CE1-CD1 3.96Å; F185-L189 HydrophobicContact CE1-CG 4.44Å; F185-L189 HydrophobicContact CE2-CD2 4.31Å; F185-L189 HydrophobicContact CZ-CD1 4.21Å; F185-L189 HydrophobicContact CZ-CD2 4.07Å; F185-L189 HydrophobicContact CZ-CG 4.39Å; F185-L189 PolarHBondContact O-N 3.23Å; F185-P204 VanDerWaalsContact CE2-O 3.25Å; F185-P204 WeakPolarHBondContact CE2-O 3.48Å; F185-P208 HydrophobicContact CD2-CB 4.18Å; F185-P208 HydrophobicContact CD2-CG 4.41Å; F185-P208 HydrophobicContact CE2-CB 4.06Å; F185-P208 HydrophobicContact CE2-CG 4.2Å; F185-P208 HydrophobicContact CZ-CB 4.28Å; F185-I209 HydrophobicContact CE1-CD1 4.04Å; F185-I209 HydrophobicContact CE1-CG1 3.56Å; F185-I209 HydrophobicContact CZ-CD1 3.91Å; F185-I209 HydrophobicContact CZ-CG1 3.66Å
186	I	94.1	Very high	94.5	Very high	19 Å²	19	61 Å²	61	10%	0.097	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-40.6	-179.5	-63.7	173.5	0	0	0	110.9	L178 C181 P182 A183 G188 L189 R197	L178-I186 HydrophobicContact CB-CD1 4.02Å; L178-I186 HydrophobicContact CB-CG1 4.21Å; C181-I186 HydrophobicContact CB-CD1 4.16Å; C181-I186 HydrophobicContact CB-CG1 4.07Å; P182-I186 PolarHBondContact O-N 3.17Å; P182-I186 VanDerWaalsContact O-N 3.12Å; A183-I186 PolarHBondContact O-N 3.11Å; I186-G188 VanDerWaalsContact C-N 3.33Å; I186-L189 WeakPolarHBondContact O-CB 3.42Å; I186-L189 PolarHBondContact O-N 2.96Å; I186-R197 HydrophobicContact CG2-CG 4.32Å; I186-R197 PolarHBondContact O-NH1 2.91Å; I186-R197 VanDerWaalsContact O-NH1 3.15Å
187	D	91.4	Very high	94.5	Very high	104 Å²	104	55.4 Å²	55.4	56%	0.556	33%	0.331	S	S	*	.	H	α-helix	trans	-70.5	-29	178.8	-73.2	-25.2	0	0	0	113	A183 F185 L189 R197	A183-D187 WeakPolarHBondContact O-CB 3.34Å; A183-D187 PolarHBondContact O-N 3.36Å; F185-D187 VanDerWaalsContact C-N 3.3Å; F185-D187 PolarHBondContact O-N 3.27Å; D187-L189 VanDerWaalsContact C-N 3.28Å; D187-L189 PolarHBondContact O-N 2.68Å; D187-R197 IonicContact OD1-NH1 3.98Å; D187-R197 IonicContact OD1-NH2 3.46Å; D187-R197 PolarHBondContact OD1-NH2 2.92Å
188	G	90.2	Very high	94.4	Very high	31 Å²	31	54.3 Å²	54.3	32%	0.32	33%	0.326	S	S	.	.	H	α-helix	trans	-65	-29.7	171.5	0	0	0	0	0	113.6	D184 F185 I186 K457	D184-G188 PolarHBondContact O-N 3.48Å; F185-G188 PolarHBondContact O-N 3.09Å; I186-G188 VanDerWaalsContact C-N 3.33Å; G188-K457 PolarHBondContact O-NZ 3.35Å
189	L	94	Very high	94.4	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.026	33%	0.326	C	S	.	.	S	Bend	trans	-67.4	138.3	178.3	-59.8	175.1	0	0	0	111.5	L178 F185 I186 D187 K191 R197 V199 H205	L178-L189 HydrophobicContact CD1-CD1 3.67Å; F185-L189 HydrophobicContact CE1-CD1 3.96Å; F185-L189 HydrophobicContact CE1-CG 4.44Å; F185-L189 HydrophobicContact CE2-CD2 4.31Å; F185-L189 HydrophobicContact CZ-CD1 4.21Å; F185-L189 HydrophobicContact CZ-CD2 4.07Å; F185-L189 HydrophobicContact CZ-CG 4.39Å; F185-L189 PolarHBondContact O-N 3.23Å; I186-L189 WeakPolarHBondContact O-CB 3.42Å; I186-L189 PolarHBondContact O-N 2.96Å; D187-L189 VanDerWaalsContact C-N 3.28Å; D187-L189 PolarHBondContact O-N 2.68Å; L189-K191 PolarHBondContact O-N 2.77Å; L189-R197 HydrophobicContact CB-CB 3.99Å; L189-R197 HydrophobicContact CB-CG 4.36Å; L189-R197 HydrophobicContact CD1-CB 3.91Å; L189-R197 HydrophobicContact CD1-CG 4.35Å; L189-V199 HydrophobicContact CD1-CG2 3.85Å; L189-V199 HydrophobicContact CD2-CG2 4.46Å; L189-H205 VanDerWaalsContact CD2-CD2 3.44Å; L189-H205 WeakPolarHBondContact CD2-CD2 3.14Å; L189-H205 WeakPolarHBondContact CD2-NE2 3.5Å
190	K	94.4	Very high	94.3	Very high	116 Å²	116	51.8 Å²	51.8	50%	0.504	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-63.1	121.4	177.4	179.4	-172.6	167.9	-162.3	0	110.1	E198	K190-E198 HydrophobicContact CB-CB 4.37Å; K190-E198 VanDerWaalsContact CD-OE1 3.27Å; K190-E198 WeakPolarHBondContact CD-OE1 3.47Å; K190-E198 IonicContact NZ-OE1 3.71Å; K190-E198 PolarHBondContact NZ-OE1 2.67Å; K190-E198 IonicContact NZ-OE2 2.71Å; K190-E198 PolarHBondContact O-N 3.12Å
191	K	96.2	Very high	94.3	Very high	126 Å²	126	49.7 Å²	49.7	55%	0.548	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-85.3	125.5	174.8	-166.4	166.7	-172.8	163.1	0	110.3	L189 G195	L189-K191 PolarHBondContact O-N 2.77Å; K191-G195 WeakPolarHBondContact CE-O 3.2Å
192	L	97.2	Very high	94	Very high	27 Å²	27	51.1 Å²	51.1	14%	0.141	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-86.7	162.1	178.7	-62.7	177.9	0	0	0	111.2	K172 S194 G195 K196 E198	K172-L192 HydrophobicContact CD-CD1 3.74Å; K172-L192 HydrophobicContact CG-CD1 3.86Å; L192-S194 PolarHBondContact O-N 3.01Å; L192-G195 PolarHBondContact O-N 3.43Å; L192-K196 WeakPolarHBondContact CB-O 3.41Å; L192-K196 PolarHBondContact N-O 2.63Å; L192-E198 HydrophobicContact CD1-CB 4.23Å; L192-E198 HydrophobicContact CD2-CB 4.3Å; L192-E198 HydrophobicContact CG-CB 4.18Å
193	P	96.7	Very high	94	Very high	144 Å²	144	52.9 Å²	52.9	94%	0.935	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.4	174.9	-27.5	35.7	0	0	0	114.6	G195	P193-G195 PolarHBondContact O-N 3.03Å
194	S	96.2	Very high	94	Very high	85 Å²	85	50.8 Å²	50.8	59%	0.594	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.8	174.5	60.7	0	0	0	0	114.3	L192 K196	L192-S194 PolarHBondContact O-N 3.01Å; S194-K196 VanDerWaalsContact C-N 3.25Å; S194-K196 PolarHBondContact O-N 3.15Å; S194-K196 PolarHBondContact OG-N 3.24Å
195	G	95.8	Very high	94.2	Very high	34 Å²	34	49.6 Å²	49.6	35%	0.351	27%	0.271	S	S	.	.	S	Bend	trans	84.8	-14.9	-172.4	0	0	0	0	0	114.5	K191 L192 P193	K191-G195 WeakPolarHBondContact CE-O 3.2Å; L192-G195 PolarHBondContact O-N 3.43Å; P193-G195 PolarHBondContact O-N 3.03Å
196	K	98.2	Very high	94.4	Very high	69 Å²	69	48.3 Å²	48.3	30%	0.3	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-73.4	153.9	176.5	-65.9	-162.2	173.6	-148.6	0	112.5	K172 F173 T174 E177 L192 S194	K172-K196 HydrophobicContact CB-CB 4.27Å; K172-K196 HydrophobicContact CB-CD 3.96Å; F173-K196 CarbonylContact O-C 3.5Å; F173-K196 VanDerWaalsContact O-CA 3.29Å; F173-K196 WeakPolarHBondContact O-CA 3.45Å; F173-K196 VanDerWaalsContact O-CB 3.31Å; F173-K196 WeakPolarHBondContact O-CB 3.49Å; T174-K196 HydrophobicContact CG2-CD 4.33Å; T174-K196 HydrophobicContact CG2-CG 4.08Å; E177-K196 IonicContact OE2-NZ 3.65Å; L192-K196 WeakPolarHBondContact CB-O 3.41Å; L192-K196 PolarHBondContact N-O 2.63Å; S194-K196 VanDerWaalsContact C-N 3.25Å; S194-K196 PolarHBondContact O-N 3.15Å; S194-K196 PolarHBondContact OG-N 3.24Å
197	R	97.9	Very high	94.4	Very high	17 Å²	17	49.2 Å²	49.2	6%	0.064	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.8	171.1	-54.6	-61.5	178.2	148.8	7.6	110.7	K172 F173 D175 L178 I186 D187 L189	K172-R197 WeakPolarHBondContact CA-O 3.5Å; F173-R197 PolarHBondContact N-O 2.95Å; F173-R197 VanDerWaalsContact N-O 3.08Å; F173-R197 PolarHBondContact O-N 3.49Å; D175-R197 WeakPolarHBondContact OD1-CG 3.4Å; D175-R197 IonicContact OD1-CZ 2.8Å; D175-R197 IonicContact OD1-NE 3.59Å; D175-R197 PolarHBondContact OD1-NE 2.91Å; D175-R197 IonicContact OD1-NH2 2.76Å; D175-R197 IonicContact OD2-CZ 3.78Å; D175-R197 IonicContact OD2-NE 2.75Å; D175-R197 IonicContact OD2-NH2 3.84Å; D175-R197 PolarHBondContact OD2-NH2 3.46Å; L178-R197 HydrophobicContact CD1-CB 4.01Å; L178-R197 HydrophobicContact CD1-CG 4.04Å; I186-R197 HydrophobicContact CG2-CG 4.32Å; I186-R197 PolarHBondContact O-NH1 2.91Å; I186-R197 VanDerWaalsContact O-NH1 3.15Å; D187-R197 IonicContact OD1-NH1 3.98Å; D187-R197 IonicContact OD1-NH2 3.46Å; D187-R197 PolarHBondContact OD1-NH2 2.92Å; L189-R197 HydrophobicContact CB-CB 3.99Å; L189-R197 HydrophobicContact CB-CG 4.36Å; L189-R197 HydrophobicContact CD1-CB 3.91Å; L189-R197 HydrophobicContact CD1-CG 4.35Å
198	E	97.6	Very high	94.5	Very high	37 Å²	37	44.9 Å²	44.9	17%	0.173	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.1	173.2	-176.5	166.4	89.2	0	0	109.7	L170 K190 L192	L170-E198 HydrophobicContact CB-CG 4.27Å; L170-E198 HydrophobicContact CD1-CG 4.06Å; L170-E198 HydrophobicContact CD2-CG 3.91Å; L170-E198 HydrophobicContact CG-CG 4.3Å; K190-E198 HydrophobicContact CB-CB 4.37Å; K190-E198 VanDerWaalsContact CD-OE1 3.27Å; K190-E198 WeakPolarHBondContact CD-OE1 3.47Å; K190-E198 IonicContact NZ-OE1 3.71Å; K190-E198 PolarHBondContact NZ-OE1 2.67Å; K190-E198 IonicContact NZ-OE2 2.71Å; K190-E198 PolarHBondContact O-N 3.12Å; L192-E198 HydrophobicContact CD1-CB 4.23Å; L192-E198 HydrophobicContact CD2-CB 4.3Å; L192-E198 HydrophobicContact CG-CB 4.18Å
199	V	97.5	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.5	-176.8	170.9	0	0	0	0	109.1	L170 L171 F173 L189 H205 I209 L222	L170-V199 WeakPolarHBondContact CA-O 3.31Å; L171-V199 PolarHBondContact N-O 3.09Å; L171-V199 PolarHBondContact O-N 3Å; F173-V199 HydrophobicContact CD2-CB 3.94Å; F173-V199 HydrophobicContact CD2-CG1 4.4Å; F173-V199 HydrophobicContact CD2-CG2 3.78Å; F173-V199 HydrophobicContact CE2-CB 4.12Å; F173-V199 HydrophobicContact CE2-CG1 4.2Å; F173-V199 HydrophobicContact CE2-CG2 4.39Å; L189-V199 HydrophobicContact CD1-CG2 3.85Å; L189-V199 HydrophobicContact CD2-CG2 4.46Å; V199-H205 HydrophobicContact CG1-CB 4.24Å; V199-I209 HydrophobicContact CB-CD1 4.4Å; V199-I209 HydrophobicContact CG1-CD1 3.53Å; V199-I209 HydrophobicContact CG2-CD1 3.9Å; V199-L222 HydrophobicContact CG1-CD1 4.21Å
200	S	95.2	Very high	95.1	Very high	20 Å²	20	43.1 Å²	43.1	14%	0.14	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	168.3	172.2	72.3	0	0	0	0	112	K202 H205	S200-K202 VanDerWaalsContact C-N 3.31Å; S200-K202 PolarHBondContact O-N 2.8Å; S200-K202 PolarHBondContact OG-N 3.07Å; S200-H205 PolarHBondContact N-ND1 3.05Å; S200-H205 VanDerWaalsContact N-ND1 3.18Å; S200-H205 VanDerWaalsContact O-CB 3.3Å; S200-H205 WeakPolarHBondContact O-CB 3.23Å; S200-H205 PolarHBondContact OG-ND1 3.11Å
201	L	94.4	Very high	95.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-84.7	0.9	172.4	-54.4	-177	0	0	0	114.4	T169 L171 L222 A225 F226 R229	T169-L201 HydrophobicContact CG2-CD1 3.98Å; T169-L201 HydrophobicContact CG2-CG 4.41Å; L171-L201 HydrophobicContact CD1-CD2 4.38Å; L201-L222 HydrophobicContact CD2-CD1 3.6Å; L201-A225 HydrophobicContact CD1-CB 4.21Å; L201-A225 HydrophobicContact CD2-CB 3.93Å; L201-F226 HydrophobicContact CB-CD2 4.19Å; L201-F226 WeakPolarHBondContact O-CE2 3.24Å; L201-R229 HydrophobicContact CD1-CG 3.45Å; L201-R229 VanDerWaalsContact CD1-CG 3.45Å
202	K	90.4	Very high	95.1	Very high	42 Å²	42	34.3 Å²	34.3	18%	0.183	19%	0.192	C	C	.	.	S	Bend	trans	-65.3	152.2	174	-55	-59.4	-173.8	-169.2	0	111.6	E167 S200 H205 Y206	E167-K202 PolarHBondContact O-NZ 3.08Å; S200-K202 VanDerWaalsContact C-N 3.31Å; S200-K202 PolarHBondContact O-N 2.8Å; S200-K202 PolarHBondContact OG-N 3.07Å; K202-H205 PolarHBondContact O-N 3.13Å; K202-Y206 PolarHBondContact O-N 2.89Å
203	Y	89.7	Confident	95.2	Very high	58 Å²	58	33 Å²	33	23%	0.227	19%	0.185	C	C	.	.	H	α-helix	trans	-54.7	-43.4	-168.6	-69.3	-3.9	0	0	0	115.5	H205 Y206 F207 F226 H406	Y203-H205 PolarHBondContact O-N 3.26Å; Y203-Y206 PolarHBondContact O-N 2.92Å; Y203-F207 HydrophobicContact CD1-CD2 4.3Å; Y203-F207 AromaticContact CD1-CE2 3.57Å; Y203-F207 HydrophobicContact CD1-CE2 3.57Å; Y203-F207 AromaticContact CD1-CZ 3.99Å; Y203-F207 HydrophobicContact CD1-CZ 3.99Å; Y203-F207 HydrophobicContact CD2-CD2 4.48Å; Y203-F207 AromaticContact CD2-CE2 3.6Å; Y203-F207 HydrophobicContact CD2-CE2 3.6Å; Y203-F207 HydrophobicContact CD2-CZ 4.38Å; Y203-F207 HydrophobicContact CE1-CE2 4.02Å; Y203-F207 HydrophobicContact CE1-CZ 4.03Å; Y203-F207 HydrophobicContact CE2-CE2 4.02Å; Y203-F207 HydrophobicContact CE2-CZ 4.39Å; Y203-F207 AromaticContact CG-CD2 3.94Å; Y203-F207 HydrophobicContact CG-CD2 3.94Å; Y203-F207 AromaticContact CG-CE2 3.31Å; Y203-F207 HydrophobicContact CG-CE2 3.31Å; Y203-F207 HydrophobicContact CG-CZ 4.15Å; Y203-F207 PolarHBondContact O-N 3.35Å; Y203-F226 HydrophobicContact CD1-CE2 4.46Å; Y203-F226 HydrophobicContact CE1-CE2 4.21Å; Y203-F226 AromaticContact CE1-CZ 3.99Å; Y203-F226 HydrophobicContact CE1-CZ 3.99Å; Y203-H406 AromaticContact CE2-ND1 3.83Å; Y203-H406 AromaticContact CZ-CE1 3.85Å; Y203-H406 AromaticContact CZ-ND1 3.63Å; Y203-H406 PolarHBondContact OH-CE1 3.45Å; Y203-H406 PolarHBondContact OH-ND1 3.11Å
204	P	89.1	Confident	95.2	Very high	23 Å²	23	27.5 Å²	27.5	15%	0.149	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-19.9	179.5	-28.8	41.6	0	0	0	114.2	F185 P208 P399 N451	F185-P204 VanDerWaalsContact CE2-O 3.25Å; F185-P204 WeakPolarHBondContact CE2-O 3.48Å; P204-P208 WeakPolarHBondContact O-CD 3.36Å; P204-P208 WeakPolarHBondContact O-CG 3.43Å; P204-P399 HydrophobicContact CG-CG 4.11Å; P204-N451 VanDerWaalsContact CG-O 3.32Å; P204-N451 WeakPolarHBondContact CG-O 3.24Å
205	H	92.6	Very high	95.2	Very high	55 Å²	55	25.5 Å²	25.5	26%	0.255	13%	0.132	S	C	.	.	H	α-helix	trans	-92.8	-47.1	171.3	-67.9	168.6	0	0	0	111.4	L189 V199 S200 K202 Y203 I209	L189-H205 VanDerWaalsContact CD2-CD2 3.44Å; L189-H205 WeakPolarHBondContact CD2-CD2 3.14Å; L189-H205 WeakPolarHBondContact CD2-NE2 3.5Å; V199-H205 HydrophobicContact CG1-CB 4.24Å; S200-H205 PolarHBondContact N-ND1 3.05Å; S200-H205 VanDerWaalsContact N-ND1 3.18Å; S200-H205 VanDerWaalsContact O-CB 3.3Å; S200-H205 WeakPolarHBondContact O-CB 3.23Å; S200-H205 PolarHBondContact OG-ND1 3.11Å; K202-H205 PolarHBondContact O-N 3.13Å; Y203-H205 PolarHBondContact O-N 3.26Å; H205-I209 WeakPolarHBondContact O-CD1 3.32Å; H205-I209 VanDerWaalsContact O-CG1 3.28Å; H205-I209 WeakPolarHBondContact O-CG1 3.15Å
206	Y	95	Very high	95.3	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-64.2	-53.7	-172.9	170	-101.4	0	0	0	113	K202 Y203 I209 M210 L222 E223 F226 R320	K202-Y206 PolarHBondContact O-N 2.89Å; Y203-Y206 PolarHBondContact O-N 2.92Å; Y206-I209 PolarHBondContact O-N 3.26Å; Y206-M210 HydrophobicContact CD2-CG 3.82Å; Y206-M210 HydrophobicContact CE1-CG 4.3Å; Y206-M210 HydrophobicContact CE2-CG 3.41Å; Y206-M210 VanDerWaalsContact CE2-CG 3.41Å; Y206-M210 HydrophobicContact CE2-SD 4.15Å; Y206-M210 HydrophobicContact CG-CG 4.4Å; Y206-M210 WeakPolarHBondContact O-CG 3.35Å; Y206-M210 PolarHBondContact O-N 2.85Å; Y206-L222 HydrophobicContact CD2-CD1 4.31Å; Y206-L222 HydrophobicContact CD2-CD2 4.17Å; Y206-L222 HydrophobicContact CD2-CG 3.92Å; Y206-L222 HydrophobicContact CE2-CG 4.42Å; Y206-E223 WeakPolarHBondContact CE2-OE2 3.25Å; Y206-E223 PolarHBondContact OH-OE2 2.92Å; Y206-F226 AromaticContact CD1-CD2 3.92Å; Y206-F226 HydrophobicContact CD1-CD2 3.92Å; Y206-F226 HydrophobicContact CD1-CE1 4.44Å; Y206-F226 AromaticContact CD1-CE2 3.69Å; Y206-F226 HydrophobicContact CD1-CE2 3.69Å; Y206-F226 HydrophobicContact CD1-CG 4.39Å; Y206-F226 AromaticContact CD1-CZ 3.97Å; Y206-F226 HydrophobicContact CD1-CZ 3.97Å; Y206-F226 HydrophobicContact CD2-CB 3.76Å; Y206-F226 HydrophobicContact CD2-CD1 4.38Å; Y206-F226 AromaticContact CD2-CD2 3.4Å; Y206-F226 HydrophobicContact CD2-CD2 3.4Å; Y206-F226 VanDerWaalsContact CD2-CD2 3.4Å; Y206-F226 HydrophobicContact CD2-CE2 4.06Å; Y206-F226 AromaticContact CD2-CG 3.59Å; Y206-F226 HydrophobicContact CD2-CG 3.59Å; Y206-F226 HydrophobicContact CE1-CD1 4.04Å; Y206-F226 HydrophobicContact CE1-CD2 4.11Å; Y206-F226 AromaticContact CE1-CE1 3.88Å; Y206-F226 HydrophobicContact CE1-CE1 3.88Å; Y206-F226 AromaticContact CE1-CE2 3.97Å; Y206-F226 HydrophobicContact CE1-CE2 3.97Å; Y206-F226 HydrophobicContact CE1-CG 4.14Å; Y206-F226 AromaticContact CE1-CZ 3.85Å; Y206-F226 HydrophobicContact CE1-CZ 3.85Å; Y206-F226 HydrophobicContact CE2-CB 3.41Å; Y206-F226 VanDerWaalsContact CE2-CB 3.41Å; Y206-F226 AromaticContact CE2-CD1 3.77Å; Y206-F226 HydrophobicContact CE2-CD1 3.77Å; Y206-F226 AromaticContact CE2-CD2 3.66Å; Y206-F226 HydrophobicContact CE2-CD2 3.66Å; Y206-F226 HydrophobicContact CE2-CE1 4.43Å; Y206-F226 HydrophobicContact CE2-CE2 4.34Å; Y206-F226 AromaticContact CE2-CG 3.32Å; Y206-F226 HydrophobicContact CE2-CG 3.32Å; Y206-F226 AromaticContact CG-CD2 3.56Å; Y206-F226 HydrophobicContact CG-CD2 3.56Å; Y206-F226 AromaticContact CG-CE2 3.74Å; Y206-F226 HydrophobicContact CG-CE2 3.74Å; Y206-F226 HydrophobicContact CG-CG 4.14Å; Y206-F226 HydrophobicContact CG-CZ 4.45Å; Y206-F226 AromaticContact CZ-CD1 3.57Å; Y206-F226 AromaticContact CZ-CE1 3.89Å; Y206-F226 AromaticContact CZ-CG 3.63Å; Y206-R320 PolarHBondContact OH-NE 3.36Å
207	F	93.1	Very high	95.2	Very high	39 Å²	39	25.2 Å²	25.2	17%	0.171	12%	0.124	C	C	.	.	H	α-helix	trans	-66.4	-46.1	-172.2	-66.7	-56.3	0	0	0	113.5	Y203 I209 M210 Q211 R320	Y203-F207 HydrophobicContact CD1-CD2 4.3Å; Y203-F207 AromaticContact CD1-CE2 3.57Å; Y203-F207 HydrophobicContact CD1-CE2 3.57Å; Y203-F207 AromaticContact CD1-CZ 3.99Å; Y203-F207 HydrophobicContact CD1-CZ 3.99Å; Y203-F207 HydrophobicContact CD2-CD2 4.48Å; Y203-F207 AromaticContact CD2-CE2 3.6Å; Y203-F207 HydrophobicContact CD2-CE2 3.6Å; Y203-F207 HydrophobicContact CD2-CZ 4.38Å; Y203-F207 HydrophobicContact CE1-CE2 4.02Å; Y203-F207 HydrophobicContact CE1-CZ 4.03Å; Y203-F207 HydrophobicContact CE2-CE2 4.02Å; Y203-F207 HydrophobicContact CE2-CZ 4.39Å; Y203-F207 AromaticContact CG-CD2 3.94Å; Y203-F207 HydrophobicContact CG-CD2 3.94Å; Y203-F207 AromaticContact CG-CE2 3.31Å; Y203-F207 HydrophobicContact CG-CE2 3.31Å; Y203-F207 HydrophobicContact CG-CZ 4.15Å; Y203-F207 PolarHBondContact O-N 3.35Å; F207-I209 VanDerWaalsContact C-N 3.32Å; F207-I209 PolarHBondContact O-N 3.34Å; F207-M210 PolarHBondContact O-N 2.85Å; F207-Q211 WeakPolarHBondContact O-CB 3.39Å; F207-Q211 VanDerWaalsContact O-CG 3.23Å; F207-Q211 WeakPolarHBondContact O-CG 3.23Å; F207-Q211 PolarHBondContact O-N 3.02Å; F207-Q211 PolarHBondContact O-OE1 2.79Å; F207-R320 VanDerWaalsContact CE1-CZ 3.46Å
208	P	93.3	Very high	95.3	Very high	12 Å²	12	24.5 Å²	24.5	8%	0.078	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-41.6	178.8	-28.3	38.7	0	0	0	112.9	F185 P204 Q211 K212	F185-P208 HydrophobicContact CD2-CB 4.18Å; F185-P208 HydrophobicContact CD2-CG 4.41Å; F185-P208 HydrophobicContact CE2-CB 4.06Å; F185-P208 HydrophobicContact CE2-CG 4.2Å; F185-P208 HydrophobicContact CZ-CB 4.28Å; P204-P208 WeakPolarHBondContact O-CD 3.36Å; P204-P208 WeakPolarHBondContact O-CG 3.43Å; P208-Q211 PolarHBondContact O-N 3.48Å; P208-K212 WeakPolarHBondContact O-CB 3.47Å; P208-K212 PolarHBondContact O-N 3.25Å
209	I	97.8	Very high	95.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-47	178	-62.9	171.7	0	0	0	110.3	L178 F185 V199 H205 Y206 F207 Q211 K212 A213 T218 L222	L178-I209 HydrophobicContact CD2-CD1 3.93Å; L178-I209 HydrophobicContact CD2-CG1 4.21Å; L178-I209 HydrophobicContact CD2-CG2 4.3Å; F185-I209 HydrophobicContact CE1-CD1 4.04Å; F185-I209 HydrophobicContact CE1-CG1 3.56Å; F185-I209 HydrophobicContact CZ-CD1 3.91Å; F185-I209 HydrophobicContact CZ-CG1 3.66Å; V199-I209 HydrophobicContact CB-CD1 4.4Å; V199-I209 HydrophobicContact CG1-CD1 3.53Å; V199-I209 HydrophobicContact CG2-CD1 3.9Å; H205-I209 WeakPolarHBondContact O-CD1 3.32Å; H205-I209 VanDerWaalsContact O-CG1 3.28Å; H205-I209 WeakPolarHBondContact O-CG1 3.15Å; Y206-I209 PolarHBondContact O-N 3.26Å; F207-I209 VanDerWaalsContact C-N 3.32Å; F207-I209 PolarHBondContact O-N 3.34Å; I209-Q211 PolarHBondContact O-N 3.45Å; I209-K212 PolarHBondContact O-N 3.33Å; I209-A213 HydrophobicContact CG2-CB 3.75Å; I209-A213 WeakPolarHBondContact O-CB 3.22Å; I209-A213 PolarHBondContact O-N 3.33Å; I209-T218 HydrophobicContact CG2-CG2 3.99Å; I209-L222 HydrophobicContact CB-CD2 3.58Å; I209-L222 HydrophobicContact CD1-CD2 4.03Å; I209-L222 HydrophobicContact CG1-CD2 4.4Å; I209-L222 HydrophobicContact CG2-CD2 3.44Å; I209-L222 VanDerWaalsContact CG2-CD2 3.44Å
210	M	98.1	Very high	95.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-24.4	179.3	-68.9	-50.5	-56.8	0	0	113.8	Y206 F207 R219 L222 E223 W317 R320 Y321	Y206-M210 HydrophobicContact CD2-CG 3.82Å; Y206-M210 HydrophobicContact CE1-CG 4.3Å; Y206-M210 HydrophobicContact CE2-CG 3.41Å; Y206-M210 VanDerWaalsContact CE2-CG 3.41Å; Y206-M210 HydrophobicContact CE2-SD 4.15Å; Y206-M210 HydrophobicContact CG-CG 4.4Å; Y206-M210 WeakPolarHBondContact O-CG 3.35Å; Y206-M210 PolarHBondContact O-N 2.85Å; F207-M210 PolarHBondContact O-N 2.85Å; M210-R219 HydrophobicContact CE-CB 3.91Å; M210-R219 HydrophobicContact SD-CB 4.21Å; M210-L222 HydrophobicContact CG-CD2 4.22Å; M210-L222 HydrophobicContact SD-CB 4.16Å; M210-L222 HydrophobicContact SD-CD2 4.03Å; M210-L222 HydrophobicContact SD-CG 4.16Å; M210-E223 HydrophobicContact CE-CB 3.8Å; M210-E223 HydrophobicContact CE-CG 4.27Å; M210-E223 WeakPolarHBondContact CE-OE2 3.48Å; M210-E223 HydrophobicContact SD-CB 4.17Å; M210-W317 HydrophobicContact CE-CB 4.02Å; M210-R320 HydrophobicContact CB-CB 4.1Å; M210-Y321 WeakPolarHBondContact O-CA 3.24Å; M210-Y321 WeakPolarHBondContact O-CB 3.2Å; M210-Y321 PolarHBondContact O-N 2.92Å; M210-Y321 VanDerWaalsContact O-N 3.12Å
211	Q	96.4	Very high	95.5	Very high	27 Å²	27	28.7 Å²	28.7	13%	0.126	14%	0.138	C	C	.	.	H	α-helix	trans	-87	-28.6	177.9	-71.9	168.2	-34.4	0	0	113.3	F207 P208 I209 R320 Y321 N324	F207-Q211 WeakPolarHBondContact O-CB 3.39Å; F207-Q211 VanDerWaalsContact O-CG 3.23Å; F207-Q211 WeakPolarHBondContact O-CG 3.23Å; F207-Q211 PolarHBondContact O-N 3.02Å; F207-Q211 PolarHBondContact O-OE1 2.79Å; P208-Q211 PolarHBondContact O-N 3.48Å; I209-Q211 PolarHBondContact O-N 3.45Å; Q211-R320 HydrophobicContact CG-CB 4.39Å; Q211-Y321 WeakPolarHBondContact O-CD2 3.45Å; Q211-N324 HydrophobicContact CB-CB 4.13Å; Q211-N324 HydrophobicContact CG-CB 4.45Å; Q211-N324 PolarHBondContact O-ND2 2.95Å
212	K	96.1	Very high	95.7	Very high	30 Å²	30	28.6 Å²	28.6	13%	0.13	14%	0.138	C	C	.	.	H	α-helix	trans	-127.3	-22.4	-165.8	-66	-74.3	-174	162.6	0	115.8	G180 P208 I209 S214 N324 E328 D334	G180-K212 CarbonylContact C-O 3.47Å; G180-K212 WeakPolarHBondContact CA-O 3.32Å; P208-K212 WeakPolarHBondContact O-CB 3.47Å; P208-K212 PolarHBondContact O-N 3.25Å; I209-K212 PolarHBondContact O-N 3.33Å; K212-S214 PolarHBondContact O-N 3.46Å; K212-S214 VanDerWaalsContact O-N 3.09Å; K212-N324 WeakPolarHBondContact CE-ND2 3.36Å; K212-E328 WeakPolarHBondContact CE-OE1 3.37Å; K212-E328 IonicContact NZ-OE1 2.94Å; K212-E328 PolarHBondContact NZ-OE1 3.28Å; K212-D334 IonicContact NZ-OD1 4Å
213	A	97.9	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.			trans	-64.1	116.5	-179	0	0	0	0	0	110.5	I209 N215 T218 R219	I209-A213 HydrophobicContact CG2-CB 3.75Å; I209-A213 WeakPolarHBondContact O-CB 3.22Å; I209-A213 PolarHBondContact O-N 3.33Å; A213-N215 VanDerWaalsContact C-N 3.28Å; A213-N215 PolarHBondContact O-N 3.43Å; A213-T218 HydrophobicContact CB-CG2 4.2Å; A213-R219 HydrophobicContact CB-CG 4.15Å; A213-R219 VanDerWaalsContact O-CD 3.31Å; A213-R219 WeakPolarHBondContact O-CD 3.17Å; A213-R219 WeakPolarHBondContact O-CG 3.33Å; A213-R219 PolarHBondContact O-NH1 3.43Å
214	S	96.5	Very high	96.5	Very high	27 Å²	27	26.4 Å²	26.4	19%	0.189	13%	0.133	C	C	.	.			trans	-78	-11.4	-176	63.4	0	0	0	0	113.9	T179 K212 P216	T179-S214 WeakPolarHBondContact O-CB 3.44Å; T179-S214 PolarHBondContact O-N 3.14Å; T179-S214 PolarHBondContact O-OG 3.03Å; K212-S214 PolarHBondContact O-N 3.46Å; K212-S214 VanDerWaalsContact O-N 3.09Å; S214-P216 WeakPolarHBondContact O-CD 3.31Å
215	N	97.3	Very high	97	Very high	43 Å²	43	26.2 Å²	26.2	23%	0.23	13%	0.133	C	C	.	.			trans	-86.6	113.8	173	-177.7	-5.7	0	0	0	110.1	A213 E217 T218 R219	A213-N215 VanDerWaalsContact C-N 3.28Å; A213-N215 PolarHBondContact O-N 3.43Å; N215-E217 PolarHBondContact O-N 3.27Å; N215-E217 WeakPolarHBondContact OD1-CB 3.45Å; N215-E217 PolarHBondContact OD1-N 3.06Å; N215-T218 PolarHBondContact ND2-OG1 3.21Å; N215-T218 WeakPolarHBondContact O-CB 3.31Å; N215-T218 PolarHBondContact O-N 2.9Å; N215-R219 PolarHBondContact O-N 2.66Å
216	P	96.9	Very high	97.3	Very high	16 Å²	16	23.8 Å²	23.8	10%	0.104	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-29.8	179.7	-23.6	36.3	0	0	0	113.4	S214 R219 R220 E302 L306 Y308	S214-P216 WeakPolarHBondContact O-CD 3.31Å; P216-R219 PolarHBondContact O-N 3.19Å; P216-R220 WeakPolarHBondContact O-CB 3.35Å; P216-R220 PolarHBondContact O-N 3.32Å; P216-E302 VanDerWaalsContact CG-OE2 3.3Å; P216-E302 WeakPolarHBondContact CG-OE2 3.35Å; P216-L306 HydrophobicContact CG-CD1 3.96Å; P216-Y308 HydrophobicContact CG-CE2 4.11Å
217	E	97.5	Very high	97.4	Very high	82 Å²	82	24.4 Å²	24.4	38%	0.383	13%	0.125	S	C	.	.	H	α-helix	trans	-71.2	-36.2	179.8	-176.6	54.2	-151.5	0	0	112.1	N215 R220 T221	N215-E217 PolarHBondContact O-N 3.27Å; N215-E217 WeakPolarHBondContact OD1-CB 3.45Å; N215-E217 PolarHBondContact OD1-N 3.06Å; E217-R220 VanDerWaalsContact CD-NH2 3.32Å; E217-R220 PolarHBondContact O-N 2.95Å; E217-R220 IonicContact OE1-CZ 3.95Å; E217-R220 IonicContact OE1-NE 3.21Å; E217-R220 PolarHBondContact OE1-NE 3.02Å; E217-R220 IonicContact OE1-NH2 2.98Å; E217-R220 PolarHBondContact OE1-NH2 3.17Å; E217-R220 IonicContact OE2-CZ 3.35Å; E217-R220 IonicContact OE2-NE 3.4Å; E217-R220 PolarHBondContact OE2-NE 3.34Å; E217-R220 IonicContact OE2-NH2 2.62Å; E217-R220 PolarHBondContact OE2-NH2 3.31Å; E217-T221 WeakPolarHBondContact O-CB 3.23Å; E217-T221 PolarHBondContact O-N 2.83Å; E217-T221 PolarHBondContact O-OG1 3.46Å; E217-T221 PolarHBondContact OE1-OG1 2.94Å
218	T	98.6	Very high	97.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-49.6	171	-59.8	0	0	0	0	110.2	F173 E177 L178 I209 A213 N215 R220 T221 L222	F173-T218 HydrophobicContact CD1-CG2 3.98Å; F173-T218 HydrophobicContact CE1-CG2 3.87Å; F173-T218 HydrophobicContact CG-CG2 4.47Å; F173-T218 HydrophobicContact CZ-CG2 4.28Å; E177-T218 WeakPolarHBondContact O-CB 3.45Å; E177-T218 WeakPolarHBondContact O-CG2 3.15Å; E177-T218 PolarHBondContact O-OG1 2.79Å; L178-T218 HydrophobicContact CD2-CG2 4.13Å; I209-T218 HydrophobicContact CG2-CG2 3.99Å; A213-T218 HydrophobicContact CB-CG2 4.2Å; N215-T218 PolarHBondContact ND2-OG1 3.21Å; N215-T218 WeakPolarHBondContact O-CB 3.31Å; N215-T218 PolarHBondContact O-N 2.9Å; T218-R220 PolarHBondContact O-N 2.99Å; T218-T221 PolarHBondContact O-N 3.39Å; T218-L222 WeakPolarHBondContact O-CB 3.5Å; T218-L222 PolarHBondContact O-N 3.46Å
219	R	98.4	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-45	177.5	-60.2	-164.6	-56.1	-93.3	4.2	111.1	M210 A213 N215 P216 L222 E223 E302 W317 D318 Y321	M210-R219 HydrophobicContact CE-CB 3.91Å; M210-R219 HydrophobicContact SD-CB 4.21Å; A213-R219 HydrophobicContact CB-CG 4.15Å; A213-R219 VanDerWaalsContact O-CD 3.31Å; A213-R219 WeakPolarHBondContact O-CD 3.17Å; A213-R219 WeakPolarHBondContact O-CG 3.33Å; A213-R219 PolarHBondContact O-NH1 3.43Å; N215-R219 PolarHBondContact O-N 2.66Å; P216-R219 PolarHBondContact O-N 3.19Å; R219-L222 PolarHBondContact O-N 2.9Å; R219-E223 WeakPolarHBondContact O-CB 3.41Å; R219-E223 PolarHBondContact O-N 3.5Å; R219-E302 IonicContact CZ-OE1 2.79Å; R219-E302 IonicContact NH1-OE1 3.97Å; R219-E302 PolarHBondContact NH1-OE1 2.91Å; R219-E302 IonicContact NH2-OE1 2.76Å; R219-E302 PolarHBondContact NH2-OE1 2.85Å; R219-E302 IonicContact NH2-OE2 3.23Å; R219-E302 PolarHBondContact NH2-OE2 2.81Å; R219-W317 HydrophobicContact CB-CB 4.11Å; R219-W317 PolarHBondContact NE-O 2.98Å; R219-D318 IonicContact NH2-OD1 3.99Å; R219-Y321 VanDerWaalsContact CZ-CD1 3.49Å
220	R	98.3	Very high	97.8	Very high	96 Å²	96	25.6 Å²	25.6	36%	0.362	14%	0.136	S	C	.	.	H	α-helix	trans	-60.5	-48.1	178.4	-173.2	-177	76.6	86.2	-2.7	111.9	P216 E217 T218 T224 W317	P216-R220 WeakPolarHBondContact O-CB 3.35Å; P216-R220 PolarHBondContact O-N 3.32Å; E217-R220 VanDerWaalsContact CD-NH2 3.32Å; E217-R220 PolarHBondContact O-N 2.95Å; E217-R220 IonicContact OE1-CZ 3.95Å; E217-R220 IonicContact OE1-NE 3.21Å; E217-R220 PolarHBondContact OE1-NE 3.02Å; E217-R220 IonicContact OE1-NH2 2.98Å; E217-R220 PolarHBondContact OE1-NH2 3.17Å; E217-R220 IonicContact OE2-CZ 3.35Å; E217-R220 IonicContact OE2-NE 3.4Å; E217-R220 PolarHBondContact OE2-NE 3.34Å; E217-R220 IonicContact OE2-NH2 2.62Å; E217-R220 PolarHBondContact OE2-NH2 3.31Å; T218-R220 PolarHBondContact O-N 2.99Å; R220-T224 VanDerWaalsContact O-CB 3.32Å; R220-T224 WeakPolarHBondContact O-CB 3.47Å; R220-T224 PolarHBondContact O-N 3.48Å; R220-T224 PolarHBondContact O-OG1 3.01Å; R220-W317 HydrophobicContact CB-CD2 3.9Å; R220-W317 HydrophobicContact CB-CE3 4.35Å; R220-W317 HydrophobicContact CB-CG 4Å; R220-W317 HydrophobicContact CG-CD2 3.85Å; R220-W317 HydrophobicContact CG-CE3 3.84Å; R220-W317 HydrophobicContact CG-CG 4.45Å; R220-W317 HydrophobicContact CG-CH2 4.15Å; R220-W317 HydrophobicContact CG-CZ2 4.14Å; R220-W317 HydrophobicContact CG-CZ3 3.99Å
221	T	98.6	Very high	97.8	Very high	48 Å²	48	27.6 Å²	27.6	29%	0.294	15%	0.146	S	C	.	.	H	α-helix	trans	-61.4	-47.9	-180	-62.4	0	0	0	0	111	L171 F173 E217 T218 T224 A225	L171-T221 HydrophobicContact CD1-CG2 4.29Å; F173-T221 HydrophobicContact CE1-CG2 4.26Å; F173-T221 HydrophobicContact CZ-CG2 4.14Å; E217-T221 WeakPolarHBondContact O-CB 3.23Å; E217-T221 PolarHBondContact O-N 2.83Å; E217-T221 PolarHBondContact O-OG1 3.46Å; E217-T221 PolarHBondContact OE1-OG1 2.94Å; T218-T221 PolarHBondContact O-N 3.39Å; T221-T224 PolarHBondContact O-N 3.18Å; T221-A225 PolarHBondContact O-N 3.23Å; T221-A225 VanDerWaalsContact O-N 3.07Å
222	L	98.6	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.7	-43.6	-179.5	-178.2	61.4	0	0	0	112.3	L171 F173 V199 L201 Y206 I209 M210 T218 R219 T224 A225 F226	L171-L222 HydrophobicContact CD1-CD1 3.88Å; F173-L222 HydrophobicContact CZ-CB 4.45Å; V199-L222 HydrophobicContact CG1-CD1 4.21Å; L201-L222 HydrophobicContact CD2-CD1 3.6Å; Y206-L222 HydrophobicContact CD2-CD1 4.31Å; Y206-L222 HydrophobicContact CD2-CD2 4.17Å; Y206-L222 HydrophobicContact CD2-CG 3.92Å; Y206-L222 HydrophobicContact CE2-CG 4.42Å; I209-L222 HydrophobicContact CB-CD2 3.58Å; I209-L222 HydrophobicContact CD1-CD2 4.03Å; I209-L222 HydrophobicContact CG1-CD2 4.4Å; I209-L222 HydrophobicContact CG2-CD2 3.44Å; I209-L222 VanDerWaalsContact CG2-CD2 3.44Å; M210-L222 HydrophobicContact CG-CD2 4.22Å; M210-L222 HydrophobicContact SD-CB 4.16Å; M210-L222 HydrophobicContact SD-CD2 4.03Å; M210-L222 HydrophobicContact SD-CG 4.16Å; T218-L222 WeakPolarHBondContact O-CB 3.5Å; T218-L222 PolarHBondContact O-N 3.46Å; R219-L222 PolarHBondContact O-N 2.9Å; L222-T224 VanDerWaalsContact C-N 3.33Å; L222-T224 PolarHBondContact O-N 3.45Å; L222-A225 PolarHBondContact O-N 3.38Å; L222-F226 WeakPolarHBondContact O-CB 3.49Å; L222-F226 PolarHBondContact O-N 3.23Å
223	E	98.6	Very high	98	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.075	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-39.3	177.1	-173.1	65.2	-168.8	0	0	111.9	Y206 M210 R219 F226 N227 P316 W317 I589	Y206-E223 WeakPolarHBondContact CE2-OE2 3.25Å; Y206-E223 PolarHBondContact OH-OE2 2.92Å; M210-E223 HydrophobicContact CE-CB 3.8Å; M210-E223 HydrophobicContact CE-CG 4.27Å; M210-E223 WeakPolarHBondContact CE-OE2 3.48Å; M210-E223 HydrophobicContact SD-CB 4.17Å; R219-E223 WeakPolarHBondContact O-CB 3.41Å; R219-E223 PolarHBondContact O-N 3.5Å; E223-F226 PolarHBondContact O-N 3.03Å; E223-N227 VanDerWaalsContact CD-ND2 3.3Å; E223-N227 WeakPolarHBondContact CG-ND2 3.32Å; E223-N227 WeakPolarHBondContact O-CB 3.34Å; E223-N227 PolarHBondContact O-N 2.94Å; E223-N227 PolarHBondContact O-ND2 2.97Å; E223-N227 PolarHBondContact OE1-ND2 3.28Å; E223-P316 HydrophobicContact CG-CB 4.19Å; E223-W317 HydrophobicContact CB-CB 3.76Å; E223-W317 HydrophobicContact CG-CB 3.99Å; E223-I589 HydrophobicContact CB-CD1 4.16Å; E223-I589 HydrophobicContact CG-CD1 3.83Å
224	T	98.7	Very high	98	Very high	37 Å²	37	37.6 Å²	37.6	23%	0.227	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-53.6	175.1	-56.1	0	0	0	0	109.8	R220 T221 L222 F226 N227 S228 I589 T592	R220-T224 VanDerWaalsContact O-CB 3.32Å; R220-T224 WeakPolarHBondContact O-CB 3.47Å; R220-T224 PolarHBondContact O-N 3.48Å; R220-T224 PolarHBondContact O-OG1 3.01Å; T221-T224 PolarHBondContact O-N 3.18Å; L222-T224 VanDerWaalsContact C-N 3.33Å; L222-T224 PolarHBondContact O-N 3.45Å; T224-F226 VanDerWaalsContact C-N 3.31Å; T224-F226 PolarHBondContact O-N 3.1Å; T224-N227 PolarHBondContact O-N 3.15Å; T224-S228 WeakPolarHBondContact O-CB 3.48Å; T224-S228 PolarHBondContact O-N 3.36Å; T224-S228 PolarHBondContact O-OG 3.33Å; T224-I589 HydrophobicContact CG2-CG2 4.46Å; T224-I589 WeakPolarHBondContact OG1-CD1 3.41Å; T224-T592 HydrophobicContact CG2-CG2 3.98Å
225	A	98.5	Very high	98.1	Very high	19 Å²	19	37.3 Å²	37.3	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-58.5	-42.6	179	0	0	0	0	0	112.3	L171 L201 T221 L222 N227 S228 R229	L171-A225 HydrophobicContact CD1-CB 3.84Å; L171-A225 HydrophobicContact CD2-CB 4.37Å; L171-A225 HydrophobicContact CG-CB 4.47Å; L201-A225 HydrophobicContact CD1-CB 4.21Å; L201-A225 HydrophobicContact CD2-CB 3.93Å; T221-A225 PolarHBondContact O-N 3.23Å; T221-A225 VanDerWaalsContact O-N 3.07Å; L222-A225 PolarHBondContact O-N 3.38Å; A225-N227 PolarHBondContact O-N 3.03Å; A225-S228 PolarHBondContact O-N 3.41Å; A225-R229 PolarHBondContact O-N 2.99Å
226	F	98	Very high	98.1	Very high	4 Å²	4	39 Å²	39	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-40.7	179.7	-171.7	-92.5	0	0	0	113.2	L201 Y203 Y206 L222 E223 T224 S228 R229 W594	L201-F226 HydrophobicContact CB-CD2 4.19Å; L201-F226 WeakPolarHBondContact O-CE2 3.24Å; Y203-F226 HydrophobicContact CD1-CE2 4.46Å; Y203-F226 HydrophobicContact CE1-CE2 4.21Å; Y203-F226 AromaticContact CE1-CZ 3.99Å; Y203-F226 HydrophobicContact CE1-CZ 3.99Å; Y206-F226 AromaticContact CD1-CD2 3.92Å; Y206-F226 HydrophobicContact CD1-CD2 3.92Å; Y206-F226 HydrophobicContact CD1-CE1 4.44Å; Y206-F226 AromaticContact CD1-CE2 3.69Å; Y206-F226 HydrophobicContact CD1-CE2 3.69Å; Y206-F226 HydrophobicContact CD1-CG 4.39Å; Y206-F226 AromaticContact CD1-CZ 3.97Å; Y206-F226 HydrophobicContact CD1-CZ 3.97Å; Y206-F226 HydrophobicContact CD2-CB 3.76Å; Y206-F226 HydrophobicContact CD2-CD1 4.38Å; Y206-F226 AromaticContact CD2-CD2 3.4Å; Y206-F226 HydrophobicContact CD2-CD2 3.4Å; Y206-F226 VanDerWaalsContact CD2-CD2 3.4Å; Y206-F226 HydrophobicContact CD2-CE2 4.06Å; Y206-F226 AromaticContact CD2-CG 3.59Å; Y206-F226 HydrophobicContact CD2-CG 3.59Å; Y206-F226 HydrophobicContact CE1-CD1 4.04Å; Y206-F226 HydrophobicContact CE1-CD2 4.11Å; Y206-F226 AromaticContact CE1-CE1 3.88Å; Y206-F226 HydrophobicContact CE1-CE1 3.88Å; Y206-F226 AromaticContact CE1-CE2 3.97Å; Y206-F226 HydrophobicContact CE1-CE2 3.97Å; Y206-F226 HydrophobicContact CE1-CG 4.14Å; Y206-F226 AromaticContact CE1-CZ 3.85Å; Y206-F226 HydrophobicContact CE1-CZ 3.85Å; Y206-F226 HydrophobicContact CE2-CB 3.41Å; Y206-F226 VanDerWaalsContact CE2-CB 3.41Å; Y206-F226 AromaticContact CE2-CD1 3.77Å; Y206-F226 HydrophobicContact CE2-CD1 3.77Å; Y206-F226 AromaticContact CE2-CD2 3.66Å; Y206-F226 HydrophobicContact CE2-CD2 3.66Å; Y206-F226 HydrophobicContact CE2-CE1 4.43Å; Y206-F226 HydrophobicContact CE2-CE2 4.34Å; Y206-F226 AromaticContact CE2-CG 3.32Å; Y206-F226 HydrophobicContact CE2-CG 3.32Å; Y206-F226 AromaticContact CG-CD2 3.56Å; Y206-F226 HydrophobicContact CG-CD2 3.56Å; Y206-F226 AromaticContact CG-CE2 3.74Å; Y206-F226 HydrophobicContact CG-CE2 3.74Å; Y206-F226 HydrophobicContact CG-CG 4.14Å; Y206-F226 HydrophobicContact CG-CZ 4.45Å; Y206-F226 AromaticContact CZ-CD1 3.57Å; Y206-F226 AromaticContact CZ-CE1 3.89Å; Y206-F226 AromaticContact CZ-CG 3.63Å; L222-F226 WeakPolarHBondContact O-CB 3.49Å; L222-F226 PolarHBondContact O-N 3.23Å; E223-F226 PolarHBondContact O-N 3.03Å; T224-F226 VanDerWaalsContact C-N 3.31Å; T224-F226 PolarHBondContact O-N 3.1Å; F226-S228 VanDerWaalsContact C-N 3.3Å; F226-R229 WeakPolarHBondContact O-CG 3.45Å; F226-R229 PolarHBondContact O-NE 3.41Å; F226-R229 VanDerWaalsContact O-NE 3.09Å; F226-W594 AromaticContact CE1-NE1 3.87Å
227	N	97.9	Very high	98.2	Very high	14 Å²	14	39.1 Å²	39.1	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-82.4	-6.2	177.1	-66.6	-44	0	0	0	113.4	E223 T224 A225 T592 F593 W594	E223-N227 VanDerWaalsContact CD-ND2 3.3Å; E223-N227 WeakPolarHBondContact CG-ND2 3.32Å; E223-N227 WeakPolarHBondContact O-CB 3.34Å; E223-N227 PolarHBondContact O-N 2.94Å; E223-N227 PolarHBondContact O-ND2 2.97Å; E223-N227 PolarHBondContact OE1-ND2 3.28Å; T224-N227 PolarHBondContact O-N 3.15Å; A225-N227 PolarHBondContact O-N 3.03Å; N227-T592 HydrophobicContact CB-CG2 4.32Å; N227-F593 CarbonylContact O-C 3.59Å; N227-F593 VanDerWaalsContact O-C 3.3Å; N227-F593 PolarHBondContact O-N 3.36Å; N227-W594 HydrophobicContact CB-CB 4.35Å; N227-W594 PolarHBondContact O-N 3.23Å; N227-W594 WeakPolarHBondContact OD1-CB 3.29Å
228	S	98.2	Very high	98.2	Very high	46 Å²	46	35.2 Å²	35.2	32%	0.322	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-3.4	173.2	-67.2	0	0	0	0	114.4	T224 A225 F226 C230 I231	T224-S228 WeakPolarHBondContact O-CB 3.48Å; T224-S228 PolarHBondContact O-N 3.36Å; T224-S228 PolarHBondContact O-OG 3.33Å; A225-S228 PolarHBondContact O-N 3.41Å; F226-S228 VanDerWaalsContact C-N 3.3Å; S228-C230 PolarHBondContact O-N 2.96Å; S228-I231 WeakPolarHBondContact O-CG1 3.45Å; S228-I231 PolarHBondContact O-N 2.84Å
229	R	97.5	Very high	98.1	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.075	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	131.7	-179.7	-71.9	-174.1	-57.2	143.8	12	111.6	E167 L201 A225 F226 I231 S597	E167-R229 HydrophobicContact CG-CB 4.16Å; E167-R229 HydrophobicContact CG-CG 3.92Å; E167-R229 WeakPolarHBondContact OE2-CD 3.25Å; L201-R229 HydrophobicContact CD1-CG 3.45Å; L201-R229 VanDerWaalsContact CD1-CG 3.45Å; A225-R229 PolarHBondContact O-N 2.99Å; F226-R229 WeakPolarHBondContact O-CG 3.45Å; F226-R229 PolarHBondContact O-NE 3.41Å; F226-R229 VanDerWaalsContact O-NE 3.09Å; R229-I231 PolarHBondContact O-N 3.4Å; R229-S597 WeakPolarHBondContact CB-OG 3.38Å; R229-S597 PolarHBondContact O-OG 3.24Å
230	C	97.8	Very high	98.1	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.074	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	15.7	175.1	-48	0	0	0	0	114.8	A163 L164 S228 K232 E233 N234	A163-C230 HydrophobicContact CB-CB 4.36Å; A163-C230 PolarHBondContact O-SG 2.93Å; A163-C230 VanDerWaalsContact O-SG 3.36Å; L164-C230 HydrophobicContact CD2-CB 4.38Å; S228-C230 PolarHBondContact O-N 2.96Å; C230-K232 VanDerWaalsContact C-N 3.28Å; C230-K232 PolarHBondContact O-N 3.16Å; C230-E233 WeakPolarHBondContact CA-OE2 3.28Å; C230-E233 PolarHBondContact O-N 3.07Å; C230-N234 HydrophobicContact CB-CB 4.15Å; C230-N234 WeakPolarHBondContact CB-ND2 3.45Å; C230-N234 VanDerWaalsContact O-CB 3.25Å; C230-N234 WeakPolarHBondContact O-CB 3.43Å; C230-N234 PolarHBondContact O-N 3.44Å
231	I	98	Very high	98.1	Very high	42 Å²	42	38 Å²	38	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-56.6	-44.8	-178.7	-72.9	-177.8	0	0	0	111.1	S228 R229 E233 T235 F593 A596	S228-I231 WeakPolarHBondContact O-CG1 3.45Å; S228-I231 PolarHBondContact O-N 2.84Å; R229-I231 PolarHBondContact O-N 3.4Å; I231-E233 VanDerWaalsContact C-N 3.34Å; I231-E233 PolarHBondContact O-N 3.46Å; I231-T235 WeakPolarHBondContact O-CB 3.42Å; I231-T235 PolarHBondContact O-N 2.91Å; I231-T235 VanDerWaalsContact O-N 3.13Å; I231-T235 PolarHBondContact O-OG1 3.13Å; I231-F593 HydrophobicContact CD1-CB 3.89Å; I231-F593 VanDerWaalsContact CD1-N 3.32Å; I231-F593 HydrophobicContact CG1-CB 4.09Å; I231-A596 HydrophobicContact CG1-CB 4.11Å
232	K	97.7	Very high	98	Very high	175 Å²	175	35.9 Å²	35.9	76%	0.761	18%	0.181	S	C	*	.	H	α-helix	trans	-64.2	-41.2	-176.7	179.4	-172.7	173.6	-167.5	0	111.5	C230 P236	C230-K232 VanDerWaalsContact C-N 3.28Å; C230-K232 PolarHBondContact O-N 3.16Å; K232-P236 WeakPolarHBondContact O-CD 3.44Å
233	E	98.1	Very high	97.9	Very high	92 Å²	92	39.9 Å²	39.9	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-80.1	-49.8	-176.5	-62.6	71.2	-155.4	0	0	111.2	A163 C230 I231 I237	A163-E233 HydrophobicContact CB-CB 4.05Å; A163-E233 HydrophobicContact CB-CG 4.46Å; C230-E233 WeakPolarHBondContact CA-OE2 3.28Å; C230-E233 PolarHBondContact O-N 3.07Å; I231-E233 VanDerWaalsContact C-N 3.34Å; I231-E233 PolarHBondContact O-N 3.46Å; E233-I237 WeakPolarHBondContact O-CD1 3.39Å; E233-I237 WeakPolarHBondContact O-CG1 3.08Å
234	N	98.5	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-95.2	-20	-163.8	-73.4	2.4	0	0	0	114.2	F160 A163 C230 I237 L238 A596	F160-N234 WeakPolarHBondContact CA-OD1 3.26Å; F160-N234 HydrophobicContact CD2-CB 3.6Å; F160-N234 VanDerWaalsContact CD2-CG 3.5Å; F160-N234 HydrophobicContact CE2-CB 3.49Å; F160-N234 VanDerWaalsContact CE2-CB 3.49Å; F160-N234 HydrophobicContact CG-CB 4.35Å; F160-N234 HydrophobicContact CZ-CB 4.12Å; F160-N234 PolarHBondContact O-ND2 2.91Å; A163-N234 WeakPolarHBondContact CB-OD1 3.46Å; C230-N234 HydrophobicContact CB-CB 4.15Å; C230-N234 WeakPolarHBondContact CB-ND2 3.45Å; C230-N234 VanDerWaalsContact O-CB 3.25Å; C230-N234 WeakPolarHBondContact O-CB 3.43Å; C230-N234 PolarHBondContact O-N 3.44Å; N234-I237 PolarHBondContact O-N 3.25Å; N234-L238 WeakPolarHBondContact O-CB 3.25Å; N234-L238 PolarHBondContact O-N 3.39Å; N234-A596 HydrophobicContact CB-CB 4.12Å; N234-A596 WeakPolarHBondContact CB-O 3.34Å; N234-A596 PolarHBondContact ND2-O 3.5Å
235	T	98	Very high	97.7	Very high	20 Å²	20	37.5 Å²	37.5	12%	0.123	19%	0.187	C	C	.	.	H	α-helix	trans	-66	-46.1	175.9	-50.6	0	0	0	0	112.1	I231 I237 L238 K239 F593	I231-T235 WeakPolarHBondContact O-CB 3.42Å; I231-T235 PolarHBondContact O-N 2.91Å; I231-T235 VanDerWaalsContact O-N 3.13Å; I231-T235 PolarHBondContact O-OG1 3.13Å; T235-I237 VanDerWaalsContact C-N 3.31Å; T235-I237 PolarHBondContact O-N 3.17Å; T235-L238 PolarHBondContact O-N 3.26Å; T235-K239 PolarHBondContact O-N 3.49Å; T235-K239 VanDerWaalsContact O-N 3.11Å; T235-F593 HydrophobicContact CG2-CD1 4.2Å; T235-F593 HydrophobicContact CG2-CE1 4.17Å
236	P	97.8	Very high	97.6	Very high	78 Å²	78	40.2 Å²	40.2	51%	0.506	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-39.5	173.3	-22.5	34.7	0	0	0	112.6	K232 K239 R240	K232-P236 WeakPolarHBondContact O-CD 3.44Å; P236-K239 PolarHBondContact O-N 3.29Å; P236-R240 PolarHBondContact O-N 3.47Å
237	I	98.3	Very high	97.5	Very high	20 Å²	20	43.8 Å²	43.8	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-50	175.9	-68.5	173.8	0	0	0	110.5	L156 D159 F160 E233 N234 T235 K239 R240 L241	L156-I237 HydrophobicContact CB-CG2 3.96Å; L156-I237 HydrophobicContact CD2-CB 4.34Å; L156-I237 HydrophobicContact CD2-CG1 3.95Å; L156-I237 HydrophobicContact CD2-CG2 4.09Å; L156-I237 WeakPolarHBondContact O-CG2 3.4Å; D159-I237 HydrophobicContact CB-CD1 3.91Å; F160-I237 HydrophobicContact CB-CG2 4.17Å; F160-I237 HydrophobicContact CD2-CB 4.43Å; F160-I237 HydrophobicContact CD2-CG2 3.95Å; E233-I237 WeakPolarHBondContact O-CD1 3.39Å; E233-I237 WeakPolarHBondContact O-CG1 3.08Å; N234-I237 PolarHBondContact O-N 3.25Å; T235-I237 VanDerWaalsContact C-N 3.31Å; T235-I237 PolarHBondContact O-N 3.17Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.06Å; I237-R240 PolarHBondContact O-N 2.8Å; I237-R240 VanDerWaalsContact O-N 3.17Å; I237-L241 HydrophobicContact CG2-CD1 3.84Å; I237-L241 HydrophobicContact CG2-CG 4.23Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 2.87Å
238	L	97.9	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-43.4	-179.5	-176.4	62.9	0	0	0	112	N234 T235 R240 L241 M242 F559 I563 P572 F593 L601	N234-L238 WeakPolarHBondContact O-CB 3.25Å; N234-L238 PolarHBondContact O-N 3.39Å; T235-L238 PolarHBondContact O-N 3.26Å; L238-R240 VanDerWaalsContact C-N 3.33Å; L238-R240 PolarHBondContact O-N 2.83Å; L238-L241 PolarHBondContact O-N 3.39Å; L238-M242 HydrophobicContact CG-SD 4.27Å; L238-M242 VanDerWaalsContact O-CG 3.28Å; L238-M242 WeakPolarHBondContact O-CG 3.35Å; L238-M242 PolarHBondContact O-N 2.87Å; L238-F559 HydrophobicContact CD2-CZ 4.45Å; L238-I563 HydrophobicContact CD1-CD1 3.97Å; L238-P572 HydrophobicContact CD2-CB 4.15Å; L238-P572 HydrophobicContact CD2-CG 4.32Å; L238-F593 HydrophobicContact CD2-CE1 4.02Å; L238-F593 HydrophobicContact CD2-CZ 3.85Å; L238-L601 HydrophobicContact CD1-CB 4.28Å; L238-L601 HydrophobicContact CD1-CD1 4.01Å; L238-L601 HydrophobicContact CD2-CD1 4.14Å
239	K	97.4	Very high	97.3	Very high	77 Å²	77	41.8 Å²	41.8	34%	0.335	19%	0.194	S	C	.	.	H	α-helix	trans	-59.4	-45	175.7	-73.5	-179.2	172.4	-176.4	0	111.2	T235 P236 I237 M242 E243 D571 P572	T235-K239 PolarHBondContact O-N 3.49Å; T235-K239 VanDerWaalsContact O-N 3.11Å; P236-K239 PolarHBondContact O-N 3.29Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.06Å; K239-M242 WeakPolarHBondContact O-CB 3.25Å; K239-M242 PolarHBondContact O-N 3.03Å; K239-E243 PolarHBondContact O-N 3.23Å; K239-D571 IonicContact NZ-OD1 3.97Å; K239-D571 IonicContact NZ-OD2 2.72Å; K239-D571 PolarHBondContact NZ-OD2 2.93Å; K239-P572 VanDerWaalsContact CE-CD 3.48Å; K239-P572 HydrophobicContact CG-CG 4.07Å
240	R	97.5	Very high	97.2	Very high	78 Å²	78	45.4 Å²	45.4	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-65.2	-40.9	177.5	-173.9	56.1	178.2	153.2	8	112.2	E152 L156 P236 I237 L238 M242 E243 L244	E152-R240 WeakPolarHBondContact OE1-CG 3.45Å; E152-R240 IonicContact OE1-CZ 3.57Å; E152-R240 IonicContact OE1-NE 3.66Å; E152-R240 PolarHBondContact OE1-NE 3.4Å; E152-R240 IonicContact OE1-NH2 3.78Å; E152-R240 PolarHBondContact OE1-NH2 2.91Å; E152-R240 IonicContact OE2-CZ 3.56Å; E152-R240 IonicContact OE2-NE 3.96Å; E152-R240 IonicContact OE2-NH2 3.75Å; E152-R240 PolarHBondContact OE2-NH2 3.4Å; L156-R240 HydrophobicContact CD1-CB 3.99Å; L156-R240 HydrophobicContact CD1-CG 3.55Å; P236-R240 PolarHBondContact O-N 3.47Å; I237-R240 PolarHBondContact O-N 2.8Å; I237-R240 VanDerWaalsContact O-N 3.17Å; L238-R240 VanDerWaalsContact C-N 3.33Å; L238-R240 PolarHBondContact O-N 2.83Å; R240-M242 VanDerWaalsContact C-N 3.33Å; R240-M242 PolarHBondContact O-N 2.78Å; R240-E243 WeakPolarHBondContact CD-OE2 3.41Å; R240-E243 IonicContact CZ-OE2 3.69Å; R240-E243 IonicContact NH1-OE2 3.57Å; R240-E243 PolarHBondContact NH1-OE2 2.89Å; R240-E243 WeakPolarHBondContact O-CB 3.29Å; R240-E243 PolarHBondContact O-N 3.19Å; R240-L244 HydrophobicContact CG-CD1 4.05Å; R240-L244 HydrophobicContact CG-CG 4.29Å; R240-L244 VanDerWaalsContact O-CG 3.27Å; R240-L244 WeakPolarHBondContact O-CG 3.39Å; R240-L244 PolarHBondContact O-N 3.46Å
241	L	97.8	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-41.7	174.6	-72.6	173.3	0	0	0	112.1	E153 L156 I237 L238 E243 L244 R245 T602	E153-L241 HydrophobicContact CB-CD2 4.21Å; E153-L241 HydrophobicContact CG-CD2 3.77Å; L156-L241 HydrophobicContact CB-CD2 3.8Å; L156-L241 HydrophobicContact CB-CG 4.17Å; L156-L241 HydrophobicContact CD1-CD2 4.08Å; L156-L241 HydrophobicContact CD1-CG 4.32Å; I237-L241 HydrophobicContact CG2-CD1 3.84Å; I237-L241 HydrophobicContact CG2-CG 4.23Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 2.87Å; L238-L241 PolarHBondContact O-N 3.39Å; L241-E243 VanDerWaalsContact C-N 3.34Å; L241-E243 PolarHBondContact O-N 2.86Å; L241-L244 PolarHBondContact O-N 3.4Å; L241-R245 WeakPolarHBondContact O-CB 3.48Å; L241-R245 WeakPolarHBondContact O-CD 3.43Å; L241-R245 WeakPolarHBondContact O-CG 3.34Å; L241-R245 PolarHBondContact O-N 3Å; L241-T602 HydrophobicContact CD1-CG2 3.55Å
242	M	97.3	Very high	97	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.02	22%	0.219	C	C	.	.	H	α-helix	trans	-59	-44.1	175.9	-68.9	161.7	58.7	0	0	111.7	L238 K239 R240 R246 I563 N567 P572	L238-M242 HydrophobicContact CG-SD 4.27Å; L238-M242 VanDerWaalsContact O-CG 3.28Å; L238-M242 WeakPolarHBondContact O-CG 3.35Å; L238-M242 PolarHBondContact O-N 2.87Å; K239-M242 WeakPolarHBondContact O-CB 3.25Å; K239-M242 PolarHBondContact O-N 3.03Å; R240-M242 VanDerWaalsContact C-N 3.33Å; R240-M242 PolarHBondContact O-N 2.78Å; M242-R246 WeakPolarHBondContact O-CB 3.28Å; M242-R246 PolarHBondContact O-N 3.35Å; M242-R246 VanDerWaalsContact O-N 3.13Å; M242-I563 HydrophobicContact CE-CB 4.06Å; M242-I563 HydrophobicContact CE-CG2 4.24Å; M242-I563 HydrophobicContact CG-CB 4.17Å; M242-I563 HydrophobicContact SD-CB 4.04Å; M242-I563 HydrophobicContact SD-CG2 4.29Å; M242-N567 WeakPolarHBondContact CE-O 3.39Å; M242-P572 HydrophobicContact SD-CB 4.13Å; M242-P572 HydrophobicContact SD-CG 4.24Å
243	E	96.7	Very high	96.9	Very high	85 Å²	85	40.3 Å²	40.3	40%	0.397	21%	0.214	S	C	.	.	H	α-helix	trans	-63.1	-52.4	176.4	-66.1	170.3	-179.1	0	0	112.1	K239 R240 L241 R245 R246 E247	K239-E243 PolarHBondContact O-N 3.23Å; R240-E243 WeakPolarHBondContact CD-OE2 3.41Å; R240-E243 IonicContact CZ-OE2 3.69Å; R240-E243 IonicContact NH1-OE2 3.57Å; R240-E243 PolarHBondContact NH1-OE2 2.89Å; R240-E243 WeakPolarHBondContact O-CB 3.29Å; R240-E243 PolarHBondContact O-N 3.19Å; L241-E243 VanDerWaalsContact C-N 3.34Å; L241-E243 PolarHBondContact O-N 2.86Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 2.96Å; E243-R246 PolarHBondContact O-N 2.82Å; E243-E247 WeakPolarHBondContact O-CB 3.14Å; E243-E247 PolarHBondContact O-N 3.4Å
244	L	97.1	Very high	96.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-58.1	-45.7	-178.2	-70.3	173.9	0	0	0	111.6	L149 E152 E153 L156 R240 L241 E247 R248	L149-L244 HydrophobicContact CD2-CD2 3.31Å; E152-L244 HydrophobicContact CB-CD1 3.99Å; E152-L244 HydrophobicContact CB-CD2 4.4Å; E152-L244 HydrophobicContact CG-CD1 3.86Å; E153-L244 HydrophobicContact CB-CD1 4.38Å; L156-L244 HydrophobicContact CD1-CD1 3.53Å; R240-L244 HydrophobicContact CG-CD1 4.05Å; R240-L244 HydrophobicContact CG-CG 4.29Å; R240-L244 VanDerWaalsContact O-CG 3.27Å; R240-L244 WeakPolarHBondContact O-CG 3.39Å; R240-L244 PolarHBondContact O-N 3.46Å; L241-L244 PolarHBondContact O-N 3.4Å; L244-E247 PolarHBondContact O-N 2.87Å; L244-R248 WeakPolarHBondContact O-CB 3.28Å; L244-R248 PolarHBondContact O-N 3.23Å
245	R	96.6	Very high	96.3	Very high	2 Å²	2	43 Å²	43	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-65.9	-41.5	-179.2	-75.6	173.9	176.9	165.7	1.6	112.2	E153 L241 E243 A249 H257 H564 L601	E153-R245 IonicContact OE1-CZ 2.91Å; E153-R245 IonicContact OE1-NE 2.77Å; E153-R245 PolarHBondContact OE1-NE 3.26Å; E153-R245 IonicContact OE1-NH2 3.51Å; E153-R245 PolarHBondContact OE1-NH2 3.27Å; L241-R245 WeakPolarHBondContact O-CB 3.48Å; L241-R245 WeakPolarHBondContact O-CD 3.43Å; L241-R245 WeakPolarHBondContact O-CG 3.34Å; L241-R245 PolarHBondContact O-N 3Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 2.96Å; R245-A249 VanDerWaalsContact O-CB 3.32Å; R245-A249 WeakPolarHBondContact O-CB 3.48Å; R245-A249 PolarHBondContact O-N 3.05Å; R245-H257 HydrophobicContact CB-CB 3.89Å; R245-H564 PolarHBondContact NH1-NE2 3.24Å; R245-L601 PolarHBondContact NH1-O 3.13Å; R245-L601 PolarHBondContact NH2-O 3.3Å
246	R	96.2	Very high	96.1	Very high	75 Å²	75	42.7 Å²	42.7	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-47.8	173.4	179.5	-175.1	70.6	170.2	0.1	111.3	M242 E243 A249 T250 W568 E569	M242-R246 WeakPolarHBondContact O-CB 3.28Å; M242-R246 PolarHBondContact O-N 3.35Å; M242-R246 VanDerWaalsContact O-N 3.13Å; E243-R246 PolarHBondContact O-N 2.82Å; R246-A249 PolarHBondContact O-N 2.59Å; R246-T250 WeakPolarHBondContact O-CB 3.39Å; R246-T250 PolarHBondContact O-N 3.11Å; R246-T250 PolarHBondContact O-OG1 3.41Å; R246-W568 HydrophobicContact CG-CD2 4.2Å; R246-W568 HydrophobicContact CG-CE3 4.24Å; R246-W568 HydrophobicContact CG-CG 4.39Å; R246-E569 IonicContact CZ-OE1 3.89Å; R246-E569 IonicContact NH1-OE1 3.03Å; R246-E569 PolarHBondContact NH1-OE1 3.18Å
247	E	96.2	Very high	96	Very high	80 Å²	80	39.1 Å²	39.1	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-61.3	-47.6	-179.7	-171.7	175.8	165.3	0	0	110.9	L149 E243 L244 A249 T250 L251	L149-E247 HydrophobicContact CD1-CB 4.21Å; L149-E247 HydrophobicContact CD1-CG 3.94Å; L149-E247 HydrophobicContact CD2-CB 4.44Å; L149-E247 HydrophobicContact CD2-CG 4.4Å; E243-E247 WeakPolarHBondContact O-CB 3.14Å; E243-E247 PolarHBondContact O-N 3.4Å; L244-E247 PolarHBondContact O-N 2.87Å; E247-A249 PolarHBondContact O-N 3.26Å; E247-T250 WeakPolarHBondContact O-CB 3.2Å; E247-T250 PolarHBondContact O-N 3.15Å; E247-L251 HydrophobicContact CG-CD1 4.26Å; E247-L251 WeakPolarHBondContact O-CG 3.43Å; E247-L251 PolarHBondContact O-N 3.27Å
248	R	96.5	Very high	95.7	Very high	17 Å²	17	38.2 Å²	38.2	6%	0.064	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-48.9	177	-176.7	179.6	65.1	-156.8	-14.2	112.1	L149 N150 E153 L244 T250 L251 L252 H257	L149-R248 HydrophobicContact CD1-CB 4.07Å; N150-R248 WeakPolarHBondContact OD1-CD 3.45Å; N150-R248 PolarHBondContact OD1-NH1 3.32Å; E153-R248 IonicContact OE1-NH2 3.26Å; E153-R248 IonicContact OE2-CZ 2.77Å; E153-R248 IonicContact OE2-NH1 3.32Å; E153-R248 PolarHBondContact OE2-NH1 2.91Å; E153-R248 IonicContact OE2-NH2 3.43Å; E153-R248 PolarHBondContact OE2-NH2 3.49Å; L244-R248 WeakPolarHBondContact O-CB 3.28Å; L244-R248 PolarHBondContact O-N 3.23Å; R248-T250 VanDerWaalsContact C-N 3.28Å; R248-T250 PolarHBondContact O-N 3.23Å; R248-L251 PolarHBondContact O-N 3.2Å; R248-L252 HydrophobicContact CG-CD1 3.76Å; R248-L252 HydrophobicContact CG-CG 4.48Å; R248-L252 WeakPolarHBondContact O-CB 3.29Å; R248-L252 WeakPolarHBondContact O-CG 3.23Å; R248-L252 PolarHBondContact O-N 3.42Å; R248-H257 PolarHBondContact NH2-CE1 3.1Å; R248-H257 PolarHBondContact NH2-ND1 3.4Å
249	A	95.3	Very high	95.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-44.8	178.4	0	0	0	0	0	111.2	R245 R246 E247 L252 G253 F254 F260	R245-A249 VanDerWaalsContact O-CB 3.32Å; R245-A249 WeakPolarHBondContact O-CB 3.48Å; R245-A249 PolarHBondContact O-N 3.05Å; R246-A249 PolarHBondContact O-N 2.59Å; E247-A249 PolarHBondContact O-N 3.26Å; A249-L252 CarbonylContact O-C 3.6Å; A249-L252 PolarHBondContact O-N 2.66Å; A249-G253 PolarHBondContact O-N 3.28Å; A249-F254 CarbonylContact C-O 3.56Å; A249-F254 HydrophobicContact CB-CB 4.25Å; A249-F254 PolarHBondContact O-N 2.66Å; A249-F260 HydrophobicContact CB-CB 4.47Å
250	T	95.1	Very high	95.3	Very high	95 Å²	95	36 Å²	36	58%	0.583	20%	0.196	S	C	*	.	H	α-helix	trans	-61.4	-46.6	177.5	-56.4	0	0	0	0	111.9	R246 E247 R248 L252 G253	R246-T250 WeakPolarHBondContact O-CB 3.39Å; R246-T250 PolarHBondContact O-N 3.11Å; R246-T250 PolarHBondContact O-OG1 3.41Å; E247-T250 WeakPolarHBondContact O-CB 3.2Å; E247-T250 PolarHBondContact O-N 3.15Å; R248-T250 VanDerWaalsContact C-N 3.28Å; R248-T250 PolarHBondContact O-N 3.23Å; T250-L252 PolarHBondContact O-N 3.39Å; T250-G253 PolarHBondContact O-N 2.95Å; T250-G253 VanDerWaalsContact O-N 3.07Å
251	L	96	Very high	95	Very high	40 Å²	40	33.1 Å²	33.1	21%	0.209	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-34.6	178.5	-74.5	171.7	0	0	0	112.6	K142 L145 I146 L149 E247 R248 G253	K142-L251 HydrophobicContact CG-CD2 4.44Å; L145-L251 HydrophobicContact CB-CD1 4.01Å; I146-L251 HydrophobicContact CD1-CB 4.39Å; I146-L251 HydrophobicContact CG1-CB 4.26Å; I146-L251 HydrophobicContact CG1-CD1 4.13Å; L149-L251 HydrophobicContact CD1-CD1 3.7Å; E247-L251 HydrophobicContact CG-CD1 4.26Å; E247-L251 WeakPolarHBondContact O-CG 3.43Å; E247-L251 PolarHBondContact O-N 3.27Å; R248-L251 PolarHBondContact O-N 3.2Å; L251-G253 VanDerWaalsContact C-N 3.33Å
252	L	95.8	Very high	94.5	Very high	17 Å²	17	33.2 Å²	33.2	9%	0.089	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.9	177.9	-68.9	169.9	0	0	0	113.7	R133 L138 I146 R248 A249 T250 F254 F260	R133-L252 WeakPolarHBondContact O-CD1 3.15Å; R133-L252 WeakPolarHBondContact O-CD2 3.43Å; L138-L252 HydrophobicContact CD1-CD2 4.31Å; I146-L252 HydrophobicContact CD1-CD2 3.7Å; I146-L252 HydrophobicContact CD1-CG 4.12Å; R248-L252 HydrophobicContact CG-CD1 3.76Å; R248-L252 HydrophobicContact CG-CG 4.48Å; R248-L252 WeakPolarHBondContact O-CB 3.29Å; R248-L252 WeakPolarHBondContact O-CG 3.23Å; R248-L252 PolarHBondContact O-N 3.42Å; A249-L252 CarbonylContact O-C 3.6Å; A249-L252 PolarHBondContact O-N 2.66Å; T250-L252 PolarHBondContact O-N 3.39Å; L252-F254 HydrophobicContact CB-CD2 3.66Å; L252-F254 HydrophobicContact CB-CE2 3.89Å; L252-F260 HydrophobicContact CD1-CD2 3.88Å; L252-F260 HydrophobicContact CD1-CE2 3.53Å; L252-F260 HydrophobicContact CD1-CZ 4.19Å
253	G	94.3	Very high	94	Very high	65 Å²	65	35.7 Å²	35.7	67%	0.67	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.4	18.4	178.4	0	0	0	0	0	115	A249 T250 L251	A249-G253 PolarHBondContact O-N 3.28Å; T250-G253 PolarHBondContact O-N 2.95Å; T250-G253 VanDerWaalsContact O-N 3.07Å; L251-G253 VanDerWaalsContact C-N 3.33Å
254	F	93.4	Very high	93.3	Very high	48 Å²	48	33 Å²	33	21%	0.211	19%	0.188	C	C	.	.			trans	-91.4	141.5	172.5	-65.8	-83.5	0	0	0	110.8	A249 L252 T256 F260 D263	A249-F254 CarbonylContact C-O 3.56Å; A249-F254 HydrophobicContact CB-CB 4.25Å; A249-F254 PolarHBondContact O-N 2.66Å; L252-F254 HydrophobicContact CB-CD2 3.66Å; L252-F254 HydrophobicContact CB-CE2 3.89Å; F254-T256 VanDerWaalsContact C-N 3.29Å; F254-T256 PolarHBondContact O-N 3.39Å; F254-F260 HydrophobicContact CB-CB 4.07Å; F254-F260 HydrophobicContact CD1-CB 4.39Å; F254-F260 HydrophobicContact CD2-CB 3.97Å; F254-F260 AromaticContact CD2-CD2 3.77Å; F254-F260 HydrophobicContact CD2-CD2 3.77Å; F254-F260 HydrophobicContact CD2-CG 4.35Å; F254-F260 AromaticContact CE2-CD2 3.69Å; F254-F260 HydrophobicContact CE2-CD2 3.69Å; F254-F260 HydrophobicContact CE2-CE2 4.48Å; F254-F260 HydrophobicContact CG-CB 3.87Å; F254-F260 HydrophobicContact CG-CD2 4.47Å; F254-F260 HydrophobicContact CZ-CD2 4.33Å; F254-D263 HydrophobicContact CE1-CB 3.67Å; F254-D263 HydrophobicContact CZ-CB 3.94Å
255	P	92.4	Very high	92.1	Very high	101 Å²	101	34.5 Å²	34.5	66%	0.656	19%	0.194	S	C	*	.	S	Bend	trans	-62.3	-37.4	178	-21.6	32.5	0	0	0	113
256	T	93.6	Very high	90.4	Very high	13 Å²	13	43.3 Å²	43.3	8%	0.08	23%	0.232	C	C	.	.	S	Bend	trans	-142.4	165	-177.5	74.3	0	0	0	0	111.6	F254 A258 D259 F260 H564 T565 W568	F254-T256 VanDerWaalsContact C-N 3.29Å; F254-T256 PolarHBondContact O-N 3.39Å; T256-A258 VanDerWaalsContact C-N 3.31Å; T256-A258 PolarHBondContact OG1-N 3.39Å; T256-D259 WeakPolarHBondContact CB-OD2 3.23Å; T256-D259 WeakPolarHBondContact CG2-OD2 3.5Å; T256-D259 PolarHBondContact N-OD2 3.11Å; T256-D259 PolarHBondContact O-N 3.38Å; T256-D259 PolarHBondContact OG1-N 3.3Å; T256-D259 PolarHBondContact OG1-OD2 2.71Å; T256-F260 PolarHBondContact O-N 3.06Å; T256-F260 VanDerWaalsContact O-N 3.1Å; T256-H564 WeakPolarHBondContact CB-O 3.37Å; T256-T565 HydrophobicContact CG2-CG2 4.19Å; T256-T565 WeakPolarHBondContact CG2-O 3.16Å; T256-W568 HydrophobicContact CG2-CH2 4.24Å; T256-W568 HydrophobicContact CG2-CZ3 3.98Å
257	H	94.7	Very high	88.6	Confident	3 Å²	3	44.3 Å²	44.3	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-37.1	171.6	176.9	77.4	0	0	0	111.5	R245 R248 D259 F260 M261 H564 D606	R245-H257 HydrophobicContact CB-CB 3.89Å; R248-H257 PolarHBondContact NH2-CE1 3.1Å; R248-H257 PolarHBondContact NH2-ND1 3.4Å; H257-D259 VanDerWaalsContact C-N 3.34Å; H257-D259 PolarHBondContact O-N 3.49Å; H257-F260 AromaticContact ND1-CD1 3.91Å; H257-F260 WeakPolarHBondContact O-CB 3.39Å; H257-F260 PolarHBondContact O-N 3.29Å; H257-M261 WeakPolarHBondContact NE2-CG 3.48Å; H257-M261 WeakPolarHBondContact O-CG 3.3Å; H257-M261 PolarHBondContact O-N 2.82Å; H257-H564 HydrophobicContact CB-CB 4.39Å; H257-H564 AromaticContact CD2-CD2 3.3Å; H257-H564 PolarHBondContact CD2-CD2 3.09Å; H257-H564 AromaticContact CD2-CG 3.84Å; H257-H564 PolarHBondContact N-O 3.19Å; H257-D606 IonicContact CD2-OD2 3.79Å; H257-D606 IonicContact CE1-OD2 3.8Å; H257-D606 PolarHBondContact CE1-OD2 3.26Å; H257-D606 VanDerWaalsContact CE1-OD2 3.26Å; H257-D606 IonicContact NE2-OD2 3.79Å; H257-D606 PolarHBondContact NE2-OD2 3Å
258	A	93.1	Very high	87.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-43.8	175.2	0	0	0	0	0	111.6	T256 F260 M261 L262 H564 T565	T256-A258 VanDerWaalsContact C-N 3.31Å; T256-A258 PolarHBondContact OG1-N 3.39Å; A258-F260 VanDerWaalsContact C-N 3.31Å; A258-F260 PolarHBondContact O-N 3.31Å; A258-M261 PolarHBondContact O-N 3.5Å; A258-L262 WeakPolarHBondContact O-CD1 3.31Å; A258-L262 WeakPolarHBondContact O-CG 3.06Å; A258-L262 PolarHBondContact O-N 3.2Å; A258-H564 HydrophobicContact CB-CB 4.4Å; A258-H564 PolarHBondContact N-O 3.2Å; A258-T565 HydrophobicContact CB-CG2 3.47Å; A258-T565 VanDerWaalsContact CB-CG2 3.47Å
259	D	92	Very high	86.4	Confident	21 Å²	21	44.4 Å²	44.4	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-39.5	176.3	-59	-51.4	0	0	0	111.6	T256 H257 M261 L262 D263 S270	T256-D259 WeakPolarHBondContact CB-OD2 3.23Å; T256-D259 WeakPolarHBondContact CG2-OD2 3.5Å; T256-D259 PolarHBondContact N-OD2 3.11Å; T256-D259 PolarHBondContact O-N 3.38Å; T256-D259 PolarHBondContact OG1-N 3.3Å; T256-D259 PolarHBondContact OG1-OD2 2.71Å; H257-D259 VanDerWaalsContact C-N 3.34Å; H257-D259 PolarHBondContact O-N 3.49Å; D259-M261 VanDerWaalsContact C-N 3.33Å; D259-M261 PolarHBondContact O-N 3.44Å; D259-L262 PolarHBondContact O-N 3.38Å; D259-D263 PolarHBondContact O-N 3.35Å; D259-S270 WeakPolarHBondContact OD1-CB 3.44Å; D259-S270 PolarHBondContact OD1-N 2.9Å; D259-S270 PolarHBondContact OD1-OG 2.98Å
260	F	93.3	Very high	85.7	Confident	10 Å²	10	44.8 Å²	44.8	4%	0.044	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-43.3	170.6	167.3	-107.3	0	0	0	111.7	R133 A249 L252 F254 T256 H257 A258 L262	R133-F260 HydrophobicContact CB-CE2 3.88Å; R133-F260 HydrophobicContact CB-CZ 4.36Å; R133-F260 HydrophobicContact CG-CE2 4.1Å; R133-F260 VanDerWaalsContact CZ-CE2 3.46Å; R133-F260 VanDerWaalsContact CZ-O 3.28Å; R133-F260 PolarHBondContact NH1-O 2.91Å; R133-F260 VanDerWaalsContact NH2-CE2 3.35Å; R133-F260 PolarHBondContact NH2-O 3.04Å; A249-F260 HydrophobicContact CB-CB 4.47Å; L252-F260 HydrophobicContact CD1-CD2 3.88Å; L252-F260 HydrophobicContact CD1-CE2 3.53Å; L252-F260 HydrophobicContact CD1-CZ 4.19Å; F254-F260 HydrophobicContact CB-CB 4.07Å; F254-F260 HydrophobicContact CD1-CB 4.39Å; F254-F260 HydrophobicContact CD2-CB 3.97Å; F254-F260 AromaticContact CD2-CD2 3.77Å; F254-F260 HydrophobicContact CD2-CD2 3.77Å; F254-F260 HydrophobicContact CD2-CG 4.35Å; F254-F260 AromaticContact CE2-CD2 3.69Å; F254-F260 HydrophobicContact CE2-CD2 3.69Å; F254-F260 HydrophobicContact CE2-CE2 4.48Å; F254-F260 HydrophobicContact CG-CB 3.87Å; F254-F260 HydrophobicContact CG-CD2 4.47Å; F254-F260 HydrophobicContact CZ-CD2 4.33Å; T256-F260 PolarHBondContact O-N 3.06Å; T256-F260 VanDerWaalsContact O-N 3.1Å; H257-F260 AromaticContact ND1-CD1 3.91Å; H257-F260 WeakPolarHBondContact O-CB 3.39Å; H257-F260 PolarHBondContact O-N 3.29Å; A258-F260 VanDerWaalsContact C-N 3.31Å; A258-F260 PolarHBondContact O-N 3.31Å; F260-L262 VanDerWaalsContact C-N 3.26Å; F260-L262 PolarHBondContact O-N 2.85Å
261	M	91.9	Very high	85.2	Confident	18 Å²	18	46 Å²	46	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-71.6	-19.1	-179	-65.5	-53.7	-71.8	0	0	113.9	H257 A258 D259 D606 R608	H257-M261 WeakPolarHBondContact NE2-CG 3.48Å; H257-M261 WeakPolarHBondContact O-CG 3.3Å; H257-M261 PolarHBondContact O-N 2.82Å; A258-M261 PolarHBondContact O-N 3.5Å; D259-M261 VanDerWaalsContact C-N 3.33Å; D259-M261 PolarHBondContact O-N 3.44Å; M261-D606 VanDerWaalsContact CE-OD2 3.25Å; M261-D606 WeakPolarHBondContact CE-OD2 3.22Å; M261-D606 WeakPolarHBondContact CG-O 3.47Å; M261-R608 HydrophobicContact CB-CG 4.08Å; M261-R608 VanDerWaalsContact CE-CZ 3.42Å; M261-R608 VanDerWaalsContact CE-NH2 3.26Å; M261-R608 PolarHBondContact O-NH1 2.79Å
262	L	87.5	Confident	84.7	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-92.7	-17.1	179.9	-63.2	165.7	0	0	0	114	A258 D259 F260 L264 Y265 K268 I273 Y610	A258-L262 WeakPolarHBondContact O-CD1 3.31Å; A258-L262 WeakPolarHBondContact O-CG 3.06Å; A258-L262 PolarHBondContact O-N 3.2Å; D259-L262 PolarHBondContact O-N 3.38Å; F260-L262 VanDerWaalsContact C-N 3.26Å; F260-L262 PolarHBondContact O-N 2.85Å; L262-L264 PolarHBondContact O-N 3.32Å; L262-L264 VanDerWaalsContact O-N 3.11Å; L262-Y265 PolarHBondContact O-N 3.09Å; L262-K268 HydrophobicContact CD2-CB 4.11Å; L262-I273 HydrophobicContact CD1-CD1 3.39Å; L262-I273 HydrophobicContact CD2-CD1 3.9Å; L262-I273 HydrophobicContact CG-CD1 4.24Å; L262-Y610 HydrophobicContact CD2-CE1 4.14Å; L262-Y610 WeakPolarHBondContact CD2-OH 3.41Å
263	D	86.7	Confident	84.4	Confident	55 Å²	55	46.7 Å²	46.7	29%	0.294	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-55.7	-29.4	-177.8	166.9	79.6	0	0	0	114.1	Q129 R133 F254 D259 Y265	Q129-D263 PolarHBondContact NE2-O 2.92Å; Q129-D263 PolarHBondContact NE2-OD2 3.06Å; Q129-D263 VanDerWaalsContact NE2-OD2 3.08Å; R133-D263 IonicContact NH1-OD2 2.88Å; R133-D263 PolarHBondContact NH1-OD2 3.27Å; F254-D263 HydrophobicContact CE1-CB 3.67Å; F254-D263 HydrophobicContact CZ-CB 3.94Å; D259-D263 PolarHBondContact O-N 3.35Å; D263-Y265 PolarHBondContact O-N 3.23Å; D263-Y265 VanDerWaalsContact O-N 3.09Å
264	L	81.7	Confident	84.1	Confident	28 Å²	28	45.9 Å²	45.9	15%	0.147	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-60.9	-20.6	176.3	-70.7	178.7	0	0	0	113.8	Q129 L130 L262	Q129-L264 HydrophobicContact CG-CD2 4.01Å; L130-L264 HydrophobicContact CD2-CD2 4.38Å; L262-L264 PolarHBondContact O-N 3.32Å; L262-L264 VanDerWaalsContact O-N 3.11Å
265	Y	71.4	Confident	84	Confident	33 Å²	33	49 Å²	49	13%	0.129	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-119.3	2.1	-166.7	-46.8	-48.9	0	0	0	113.8	L262 D263 T267 E498 T499	L262-Y265 PolarHBondContact O-N 3.09Å; D263-Y265 PolarHBondContact O-N 3.23Å; D263-Y265 VanDerWaalsContact O-N 3.09Å; Y265-T267 PolarHBondContact O-N 3.33Å; Y265-T267 PolarHBondContact O-OG1 3.2Å; Y265-T267 VanDerWaalsContact O-OG1 3.12Å; Y265-E498 HydrophobicContact CD1-CB 3.76Å; Y265-E498 HydrophobicContact CD1-CG 3.17Å; Y265-E498 HydrophobicContact CD2-CB 4.44Å; Y265-E498 HydrophobicContact CE1-CB 3.74Å; Y265-E498 HydrophobicContact CE1-CG 3.41Å; Y265-E498 VanDerWaalsContact CE1-CG 3.41Å; Y265-E498 HydrophobicContact CE2-CB 4.39Å; Y265-E498 HydrophobicContact CG-CB 4.12Å; Y265-E498 HydrophobicContact CG-CG 3.85Å; Y265-T499 PolarHBondContact OH-OG1 3.34Å
266	K	61.6	Low	84	Confident	187 Å²	187	46 Å²	46	81%	0.813	23%	0.233	S	C	*	.	S	Bend	trans	51.1	-22.3	173.1	-67.3	-176.1	179.9	174.4	0	118.8
267	T	59.3	Low	84	Confident	96 Å²	96	45.5 Å²	45.5	59%	0.589	23%	0.23	S	C	*	.	S	Bend	trans	-100.2	-3.1	-167.4	55.2	0	0	0	0	113.4	Y265	Y265-T267 PolarHBondContact O-N 3.33Å; Y265-T267 PolarHBondContact O-OG1 3.2Å; Y265-T267 VanDerWaalsContact O-OG1 3.12Å
268	K	68.9	Low	84	Confident	46 Å²	46	49 Å²	49	20%	0.2	25%	0.249	C	C	.	.			trans	-129.6	141.7	-170.7	-51.9	-62.7	171.2	-174	0	111.4	L262	L262-K268 HydrophobicContact CD2-CB 4.11Å
269	T	75.6	Confident	84	Confident	53 Å²	53	52.7 Å²	52.7	33%	0.325	27%	0.268	S	S	.	.			trans	-128.6	162.7	171.4	73.2	0	0	0	0	109.3	E271 N272 I273	T269-E271 WeakPolarHBondContact CB-OE2 3Å; T269-E271 PolarHBondContact O-N 3.27Å; T269-E271 PolarHBondContact OG1-N 2.69Å; T269-E271 PolarHBondContact OG1-OE2 2.98Å; T269-N272 PolarHBondContact O-N 3.2Å; T269-N272 PolarHBondContact OG1-N 3.31Å; T269-I273 PolarHBondContact O-N 3.46Å
270	S	81.3	Confident	84	Confident	10 Å²	10	52 Å²	52	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-58.3	-29.4	175.1	56.1	0	0	0	0	113.2	D259 I273 S274	D259-S270 WeakPolarHBondContact OD1-CB 3.44Å; D259-S270 PolarHBondContact OD1-N 2.9Å; D259-S270 PolarHBondContact OD1-OG 2.98Å; S270-I273 PolarHBondContact O-N 3.47Å; S270-S274 WeakPolarHBondContact O-CB 3.27Å; S270-S274 PolarHBondContact O-N 3.35Å; S270-S274 PolarHBondContact O-OG 3.5Å
271	E	83.9	Confident	84	Confident	119 Å²	119	52.5 Å²	52.5	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-67.2	-45.9	174.4	-59.9	80.4	-174	0	0	112.3	T269 I273 S274 E275	T269-E271 WeakPolarHBondContact CB-OE2 3Å; T269-E271 PolarHBondContact O-N 3.27Å; T269-E271 PolarHBondContact OG1-N 2.69Å; T269-E271 PolarHBondContact OG1-OE2 2.98Å; E271-I273 PolarHBondContact O-N 3.12Å; E271-S274 PolarHBondContact O-N 3.22Å; E271-S274 VanDerWaalsContact O-N 3.15Å; E271-E275 PolarHBondContact O-N 3.04Å
272	N	86.1	Confident	84	Confident	71 Å²	71	56.8 Å²	56.8	38%	0.38	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-35.2	177.9	-73.3	-10.5	0	0	0	111.5	T269 F276	T269-N272 PolarHBondContact O-N 3.2Å; T269-N272 PolarHBondContact OG1-N 3.31Å; N272-F276 WeakPolarHBondContact O-CB 3.11Å; N272-F276 PolarHBondContact O-N 3.15Å
273	I	89.5	Confident	84.2	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-69.5	-46.4	176.3	-65	160.7	0	0	0	110.5	L262 T269 S270 E271 E275 F276 L277 Q561 Y610	L262-I273 HydrophobicContact CD1-CD1 3.39Å; L262-I273 HydrophobicContact CD2-CD1 3.9Å; L262-I273 HydrophobicContact CG-CD1 4.24Å; T269-I273 PolarHBondContact O-N 3.46Å; S270-I273 PolarHBondContact O-N 3.47Å; E271-I273 PolarHBondContact O-N 3.12Å; I273-E275 VanDerWaalsContact C-N 3.3Å; I273-E275 PolarHBondContact O-N 3.04Å; I273-F276 WeakPolarHBondContact O-CB 3.29Å; I273-F276 PolarHBondContact O-N 3.44Å; I273-L277 HydrophobicContact CG2-CD1 3.99Å; I273-L277 HydrophobicContact CG2-CG 4.31Å; I273-L277 WeakPolarHBondContact O-CG 3.25Å; I273-L277 PolarHBondContact O-N 3.08Å; I273-Q561 HydrophobicContact CG2-CG 3.89Å; I273-Y610 HydrophobicContact CB-CD1 4.47Å; I273-Y610 HydrophobicContact CD1-CD1 3.71Å; I273-Y610 HydrophobicContact CD1-CE1 3.21Å; I273-Y610 HydrophobicContact CD1-CE2 4.34Å; I273-Y610 HydrophobicContact CD1-CG 4.45Å; I273-Y610 HydrophobicContact CG1-CD1 3.95Å; I273-Y610 HydrophobicContact CG1-CD2 4.18Å; I273-Y610 HydrophobicContact CG1-CE1 3.67Å; I273-Y610 HydrophobicContact CG1-CE2 3.92Å; I273-Y610 HydrophobicContact CG1-CG 4.2Å; I273-Y610 HydrophobicContact CG2-CD1 3.67Å; I273-Y610 HydrophobicContact CG2-CD2 4.13Å; I273-Y610 HydrophobicContact CG2-CE1 4.29Å; I273-Y610 HydrophobicContact CG2-CG 3.58Å
274	S	89	Confident	84.5	Confident	48 Å²	48	58.6 Å²	58.6	34%	0.336	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-42.6	177.5	-65.1	0	0	0	0	111.3	S270 E271 N278	S270-S274 WeakPolarHBondContact O-CB 3.27Å; S270-S274 PolarHBondContact O-N 3.35Å; S270-S274 PolarHBondContact O-OG 3.5Å; E271-S274 PolarHBondContact O-N 3.22Å; E271-S274 VanDerWaalsContact O-N 3.15Å; S274-N278 VanDerWaalsContact O-CB 3.3Å; S274-N278 WeakPolarHBondContact O-CB 3.48Å; S274-N278 PolarHBondContact O-N 2.94Å; S274-N278 PolarHBondContact O-ND2 3.05Å
275	E	91.4	Very high	85.1	Confident	113 Å²	113	61.8 Å²	61.8	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-48	173.7	-177.6	177.4	178.5	0	0	111.6	E271 I273 L277 N278 N279	E271-E275 PolarHBondContact O-N 3.04Å; I273-E275 VanDerWaalsContact C-N 3.3Å; I273-E275 PolarHBondContact O-N 3.04Å; E275-L277 PolarHBondContact O-N 3.32Å; E275-N278 PolarHBondContact O-N 2.69Å; E275-N279 WeakPolarHBondContact CG-ND2 3.44Å; E275-N279 VanDerWaalsContact O-CB 3.27Å; E275-N279 WeakPolarHBondContact O-CB 3.44Å; E275-N279 VanDerWaalsContact O-CG 3.27Å; E275-N279 PolarHBondContact O-N 3.43Å; E275-N279 PolarHBondContact O-ND2 3.37Å
276	F	92	Very high	86.1	Confident	38 Å²	38	68.3 Å²	68.3	17%	0.167	34%	0.344	C	S	.	.	H	α-helix	trans	-56.4	-50.3	177	167.1	-104	0	0	0	112.2	N272 I273 N278 N279 L280 L613 W614 V617	N272-F276 WeakPolarHBondContact O-CB 3.11Å; N272-F276 PolarHBondContact O-N 3.15Å; I273-F276 WeakPolarHBondContact O-CB 3.29Å; I273-F276 PolarHBondContact O-N 3.44Å; F276-N278 PolarHBondContact O-N 3.48Å; F276-N279 PolarHBondContact O-N 3.34Å; F276-L280 HydrophobicContact CE1-CD2 4.37Å; F276-L280 HydrophobicContact CZ-CD2 3.98Å; F276-L280 VanDerWaalsContact O-CB 3.29Å; F276-L280 WeakPolarHBondContact O-CB 3.46Å; F276-L280 PolarHBondContact O-N 3.29Å; F276-L613 HydrophobicContact CE1-CB 4.08Å; F276-L613 HydrophobicContact CZ-CB 4.22Å; F276-W614 HydrophobicContact CB-CE3 4.35Å; F276-W614 HydrophobicContact CB-CZ3 3.89Å; F276-W614 AromaticContact CD1-CE3 3.8Å; F276-W614 HydrophobicContact CD1-CE3 3.8Å; F276-W614 HydrophobicContact CD1-CZ3 4.22Å; F276-W614 AromaticContact CD2-CE3 3.87Å; F276-W614 HydrophobicContact CD2-CE3 3.87Å; F276-W614 AromaticContact CD2-CZ3 3.85Å; F276-W614 HydrophobicContact CD2-CZ3 3.85Å; F276-W614 HydrophobicContact CE1-CB 4.44Å; F276-W614 HydrophobicContact CE1-CE3 4.01Å; F276-W614 HydrophobicContact CE2-CE3 4.07Å; F276-W614 HydrophobicContact CE2-CZ3 4.45Å; F276-W614 AromaticContact CG-CE3 3.73Å; F276-W614 HydrophobicContact CG-CE3 3.73Å; F276-W614 AromaticContact CG-CZ3 3.71Å; F276-W614 HydrophobicContact CG-CZ3 3.71Å; F276-W614 HydrophobicContact CZ-CB 4.41Å; F276-W614 HydrophobicContact CZ-CE3 4.14Å; F276-V617 HydrophobicContact CE2-CG2 4.42Å; F276-V617 HydrophobicContact CZ-CG2 4.4Å
277	L	93.9	Very high	87.7	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-41.5	-179.4	-68.3	176.7	0	0	0	111.8	I273 E275 G281 A557 Q561 L613	I273-L277 HydrophobicContact CG2-CD1 3.99Å; I273-L277 HydrophobicContact CG2-CG 4.31Å; I273-L277 WeakPolarHBondContact O-CG 3.25Å; I273-L277 PolarHBondContact O-N 3.08Å; E275-L277 PolarHBondContact O-N 3.32Å; L277-G281 PolarHBondContact O-N 3.47Å; L277-A557 HydrophobicContact CD1-CB 3.84Å; L277-A557 HydrophobicContact CD2-CB 3.75Å; L277-A557 HydrophobicContact CG-CB 4.48Å; L277-Q561 HydrophobicContact CD1-CG 4.33Å; L277-L613 HydrophobicContact CD2-CD1 4.15Å
278	N	93.8	Very high	89.4	Confident	78 Å²	78	57.6 Å²	57.6	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-45.8	176.9	-74.3	-35.2	0	0	0	111.6	S274 E275 F276 L280 G281 N282	S274-N278 VanDerWaalsContact O-CB 3.3Å; S274-N278 WeakPolarHBondContact O-CB 3.48Å; S274-N278 PolarHBondContact O-N 2.94Å; S274-N278 PolarHBondContact O-ND2 3.05Å; E275-N278 PolarHBondContact O-N 2.69Å; F276-N278 PolarHBondContact O-N 3.48Å; N278-L280 PolarHBondContact O-N 2.94Å; N278-G281 PolarHBondContact O-N 3.28Å; N278-N282 WeakPolarHBondContact O-CB 3.49Å; N278-N282 PolarHBondContact O-N 2.94Å; N278-N282 PolarHBondContact O-ND2 3.21Å
279	N	92.7	Very high	90.7	Very high	76 Å²	76	59.2 Å²	59.2	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-43.7	178.6	-77.1	-19.7	0	0	0	111.6	E275 F276 K283	E275-N279 WeakPolarHBondContact CG-ND2 3.44Å; E275-N279 VanDerWaalsContact O-CB 3.27Å; E275-N279 WeakPolarHBondContact O-CB 3.44Å; E275-N279 VanDerWaalsContact O-CG 3.27Å; E275-N279 PolarHBondContact O-N 3.43Å; E275-N279 PolarHBondContact O-ND2 3.37Å; F276-N279 PolarHBondContact O-N 3.34Å; N279-K283 WeakPolarHBondContact O-CG 3.36Å; N279-K283 PolarHBondContact O-N 3.17Å; N279-K283 VanDerWaalsContact O-N 3.13Å
280	L	92.6	Very high	91.7	Very high	6 Å²	6	64.6 Å²	64.6	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-44.8	175.7	-175.2	59.3	0	0	0	111.2	F276 N278 N282 K283 L284 I554 L613 F674 F675	F276-L280 HydrophobicContact CE1-CD2 4.37Å; F276-L280 HydrophobicContact CZ-CD2 3.98Å; F276-L280 VanDerWaalsContact O-CB 3.29Å; F276-L280 WeakPolarHBondContact O-CB 3.46Å; F276-L280 PolarHBondContact O-N 3.29Å; N278-L280 PolarHBondContact O-N 2.94Å; L280-N282 PolarHBondContact O-N 3.21Å; L280-K283 PolarHBondContact O-N 3.29Å; L280-L284 HydrophobicContact CD1-CD1 3.96Å; L280-L284 HydrophobicContact CD1-CG 4.24Å; L280-L284 HydrophobicContact CG-CD1 3.83Å; L280-L284 HydrophobicContact CG-CG 4.48Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 VanDerWaalsContact O-CG 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.04Å; L280-L284 PolarHBondContact O-N 3.03Å; L280-I554 HydrophobicContact CB-CD1 4.46Å; L280-I554 HydrophobicContact CD2-CD1 4.45Å; L280-I554 HydrophobicContact CG-CD1 4.17Å; L280-L613 HydrophobicContact CD2-CB 4.27Å; L280-L613 HydrophobicContact CD2-CD1 4.02Å; L280-L613 HydrophobicContact CD2-CD2 4.25Å; L280-L613 HydrophobicContact CD2-CG 4.43Å; L280-F674 HydrophobicContact CD1-CD1 4.42Å; L280-F674 HydrophobicContact CD1-CE1 3.75Å; L280-F675 HydrophobicContact CD1-CE1 3.98Å; L280-F675 HydrophobicContact CD1-CZ 3.61Å
281	G	93.3	Very high	92.5	Very high	21 Å²	21	65.2 Å²	65.2	22%	0.216	32%	0.321	C	S	.	.	H	α-helix	trans	-57.8	-46.8	176.4	0	0	0	0	0	112.9	L277 N278 K283 L284 E285	L277-G281 PolarHBondContact O-N 3.47Å; N278-G281 PolarHBondContact O-N 3.28Å; G281-K283 PolarHBondContact O-N 3.27Å; G281-L284 PolarHBondContact O-N 3.25Å; G281-E285 PolarHBondContact O-N 2.72Å
282	N	93	Very high	93.2	Very high	109 Å²	109	60.2 Å²	60.2	58%	0.583	30%	0.299	S	S	*	.	H	α-helix	trans	-60.8	-43.1	177.3	-69.6	-19.5	0	0	0	111.8	N278 L280 L284 E285	N278-N282 WeakPolarHBondContact O-CB 3.49Å; N278-N282 PolarHBondContact O-N 2.94Å; N278-N282 PolarHBondContact O-ND2 3.21Å; L280-N282 PolarHBondContact O-N 3.21Å; N282-L284 VanDerWaalsContact C-N 3.31Å; N282-L284 PolarHBondContact O-N 3.37Å; N282-E285 PolarHBondContact O-N 3.18Å
283	K	91.5	Very high	93.7	Very high	95 Å²	95	60.4 Å²	60.4	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-32.8	177.5	-70.7	176.1	-178.3	-179	0	112.2	N279 L280 G281 D671 F675 L680	N279-K283 WeakPolarHBondContact O-CG 3.36Å; N279-K283 PolarHBondContact O-N 3.17Å; N279-K283 VanDerWaalsContact O-N 3.13Å; L280-K283 PolarHBondContact O-N 3.29Å; G281-K283 PolarHBondContact O-N 3.27Å; K283-D671 IonicContact NZ-OD2 2.86Å; K283-D671 PolarHBondContact NZ-OD2 3.18Å; K283-F675 HydrophobicContact CB-CD1 4.43Å; K283-F675 HydrophobicContact CB-CE1 3.62Å; K283-F675 HydrophobicContact CB-CZ 4.06Å; K283-F675 HydrophobicContact CD-CD1 4.21Å; K283-F675 HydrophobicContact CD-CD2 4.32Å; K283-F675 HydrophobicContact CD-CE1 3.49Å; K283-F675 VanDerWaalsContact CD-CE1 3.49Å; K283-F675 HydrophobicContact CD-CE2 3.62Å; K283-F675 HydrophobicContact CD-CZ 3.16Å; K283-F675 HydrophobicContact CG-CE1 4.19Å; K283-F675 HydrophobicContact CG-CZ 4.25Å; K283-F675 VanDerWaalsContact NZ-CE2 3.34Å; K283-L680 WeakPolarHBondContact O-CD1 3.19Å
284	L	92.9	Very high	94.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-85.3	-18.7	-179.2	-68.8	172.9	0	0	0	114.1	L280 G281 N282 K286 I287 R288 Y550 I554 L678 L680	L280-L284 HydrophobicContact CD1-CD1 3.96Å; L280-L284 HydrophobicContact CD1-CG 4.24Å; L280-L284 HydrophobicContact CG-CD1 3.83Å; L280-L284 HydrophobicContact CG-CG 4.48Å; L280-L284 WeakPolarHBondContact O-CB 3.44Å; L280-L284 VanDerWaalsContact O-CG 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.04Å; L280-L284 PolarHBondContact O-N 3.03Å; G281-L284 PolarHBondContact O-N 3.25Å; N282-L284 VanDerWaalsContact C-N 3.31Å; N282-L284 PolarHBondContact O-N 3.37Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.13Å; L284-I287 PolarHBondContact O-N 2.87Å; L284-R288 PolarHBondContact O-N 2.83Å; L284-Y550 VanDerWaalsContact CD1-CB 3.5Å; L284-Y550 HydrophobicContact CD1-CG 4.43Å; L284-I554 HydrophobicContact CD1-CD1 3.91Å; L284-L678 HydrophobicContact CD2-CD1 3.53Å; L284-L680 HydrophobicContact CD2-CD1 4.29Å
285	E	93.9	Very high	94.6	Very high	94 Å²	94	61 Å²	61	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-52.7	-45.1	-173.3	-178.5	175.6	-147.6	0	0	112.6	G281 N282 I287 R288 L289	G281-E285 PolarHBondContact O-N 2.72Å; N282-E285 PolarHBondContact O-N 3.18Å; E285-I287 VanDerWaalsContact C-N 3.32Å; E285-I287 PolarHBondContact O-N 3.5Å; E285-R288 PolarHBondContact O-N 3.35Å; E285-R288 IonicContact OE1-NH2 3.82Å; E285-L289 HydrophobicContact CG-CD1 3.85Å; E285-L289 HydrophobicContact CG-CG 4.18Å; E285-L289 WeakPolarHBondContact O-CB 3.19Å; E285-L289 WeakPolarHBondContact O-CG 3.37Å; E285-L289 PolarHBondContact O-N 3.11Å
286	K	92.7	Very high	94.9	Very high	170 Å²	170	57.3 Å²	57.3	74%	0.739	28%	0.282	S	S	*	.	H	α-helix	trans	-59.7	-41.9	179.9	-176.3	179.6	179.2	-179.5	0	112.5	L284 K290	L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 3.13Å; K286-K290 PolarHBondContact O-N 3.46Å
287	I	94.9	Very high	95.2	Very high	31 Å²	31	59.8 Å²	59.8	16%	0.159	29%	0.294	C	S	.	.	H	α-helix	trans	-71.5	-45.6	178.5	-65.2	179.7	0	0	0	109.5	L284 E285 L289 K290 E291 L678 L680	L284-I287 PolarHBondContact O-N 2.87Å; E285-I287 VanDerWaalsContact C-N 3.32Å; E285-I287 PolarHBondContact O-N 3.5Å; I287-L289 PolarHBondContact O-N 3.24Å; I287-K290 PolarHBondContact O-N 3.39Å; I287-E291 HydrophobicContact CG2-CG 4.21Å; I287-E291 VanDerWaalsContact CG2-OE1 3.32Å; I287-E291 WeakPolarHBondContact CG2-OE1 3.36Å; I287-E291 WeakPolarHBondContact O-CG 3.18Å; I287-E291 PolarHBondContact O-N 3.04Å; I287-L678 HydrophobicContact CD1-CB 4.3Å; I287-L678 WeakPolarHBondContact CD1-O 3.43Å; I287-L680 HydrophobicContact CD1-CD1 3.79Å; I287-L680 HydrophobicContact CD1-CD2 3.52Å; I287-L680 HydrophobicContact CD1-CG 3.55Å; I287-L680 HydrophobicContact CG1-CD2 3.86Å; I287-L680 HydrophobicContact CG1-CG 4.42Å
288	R	95.6	Very high	95.4	Very high	28 Å²	28	59.7 Å²	59.7	11%	0.106	29%	0.293	C	S	.	.	H	α-helix	trans	-54.7	-49.4	177	-176.6	-164.6	60.7	86.9	-4.1	111.5	L284 E285 K290 E291 S292 L548 S551 C583 L584	L284-R288 PolarHBondContact O-N 2.83Å; E285-R288 PolarHBondContact O-N 3.35Å; E285-R288 IonicContact OE1-NH2 3.82Å; R288-K290 PolarHBondContact O-N 3.18Å; R288-E291 PolarHBondContact O-N 3.47Å; R288-S292 WeakPolarHBondContact O-CB 3.37Å; R288-S292 PolarHBondContact O-N 2.9Å; R288-S292 PolarHBondContact O-OG 2.92Å; R288-S292 VanDerWaalsContact O-OG 3.11Å; R288-L548 HydrophobicContact CG-CD2 4.02Å; R288-S551 VanDerWaalsContact CD-OG 3.31Å; R288-S551 WeakPolarHBondContact CD-OG 3.24Å; R288-C583 WeakPolarHBondContact CD-O 3.34Å; R288-L584 PolarHBondContact NH1-O 3.37Å
289	L	96.1	Very high	95.6	Very high	80 Å²	80	56.5 Å²	56.5	42%	0.419	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-44.4	-179.9	-73	175.2	0	0	0	112	E285 I287 E291 S292 T293	E285-L289 HydrophobicContact CG-CD1 3.85Å; E285-L289 HydrophobicContact CG-CG 4.18Å; E285-L289 WeakPolarHBondContact O-CB 3.19Å; E285-L289 WeakPolarHBondContact O-CG 3.37Å; E285-L289 PolarHBondContact O-N 3.11Å; I287-L289 PolarHBondContact O-N 3.24Å; L289-E291 VanDerWaalsContact C-N 3.32Å; L289-E291 PolarHBondContact O-N 3.49Å; L289-S292 PolarHBondContact O-N 2.84Å; L289-T293 PolarHBondContact O-N 3.05Å; L289-T293 PolarHBondContact O-OG1 3.17Å; L289-T293 VanDerWaalsContact O-OG1 3.09Å
290	K	96.4	Very high	95.9	Very high	165 Å²	165	57.9 Å²	57.9	72%	0.717	28%	0.278	S	S	*	.	H	α-helix	trans	-58.4	-45.5	175.5	-178.9	-174.3	174.4	-172	0	111.4	K286 I287 R288 T293 R294	K286-K290 PolarHBondContact O-N 3.46Å; I287-K290 PolarHBondContact O-N 3.39Å; R288-K290 PolarHBondContact O-N 3.18Å; K290-T293 PolarHBondContact O-N 3.33Å; K290-R294 PolarHBondContact O-N 2.93Å; K290-R294 VanDerWaalsContact O-N 3.1Å
291	E	97.5	Very high	96.1	Very high	23 Å²	23	61.6 Å²	61.6	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-66.9	-43.7	178.6	-69.3	172.2	168.5	0	0	111.6	I287 R288 L289 T293 R294 L295 N545 A546 G547 L548	I287-E291 HydrophobicContact CG2-CG 4.21Å; I287-E291 VanDerWaalsContact CG2-OE1 3.32Å; I287-E291 WeakPolarHBondContact CG2-OE1 3.36Å; I287-E291 WeakPolarHBondContact O-CG 3.18Å; I287-E291 PolarHBondContact O-N 3.04Å; R288-E291 PolarHBondContact O-N 3.47Å; L289-E291 VanDerWaalsContact C-N 3.32Å; L289-E291 PolarHBondContact O-N 3.49Å; E291-T293 VanDerWaalsContact C-N 3.33Å; E291-T293 PolarHBondContact O-N 3.42Å; E291-R294 WeakPolarHBondContact O-CB 3.33Å; E291-R294 PolarHBondContact O-N 2.84Å; E291-R294 VanDerWaalsContact O-N 3.1Å; E291-L295 WeakPolarHBondContact O-CG 3.32Å; E291-L295 PolarHBondContact O-N 3.19Å; E291-N545 VanDerWaalsContact OE1-C 3.28Å; E291-N545 WeakPolarHBondContact OE1-CA 3.28Å; E291-N545 PolarHBondContact OE1-N 2.94Å; E291-N545 VanDerWaalsContact OE2-C 3.31Å; E291-N545 WeakPolarHBondContact OE2-CA 3.27Å; E291-A546 PolarHBondContact OE1-N 3.47Å; E291-A546 VanDerWaalsContact OE1-N 3.08Å; E291-G547 PolarHBondContact OE1-N 2.85Å; E291-G547 WeakPolarHBondContact OE2-CA 3.28Å; E291-G547 PolarHBondContact OE2-N 3.17Å; E291-L548 HydrophobicContact CB-CD1 3.79Å; E291-L548 HydrophobicContact CB-CG 3.95Å; E291-L548 PolarHBondContact OE2-N 2.95Å
292	S	97.8	Very high	96.3	Very high	14 Å²	14	61.1 Å²	61.1	10%	0.098	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-43.1	173.9	-67.1	0	0	0	0	112.3	R288 L289 R294 L295 L296	R288-S292 WeakPolarHBondContact O-CB 3.37Å; R288-S292 PolarHBondContact O-N 2.9Å; R288-S292 PolarHBondContact O-OG 2.92Å; R288-S292 VanDerWaalsContact O-OG 3.11Å; L289-S292 PolarHBondContact O-N 2.84Å; S292-R294 VanDerWaalsContact C-N 3.33Å; S292-R294 PolarHBondContact O-N 2.9Å; S292-L295 PolarHBondContact O-N 3.34Å; S292-L296 PolarHBondContact O-N 2.9Å
293	T	97.9	Very high	96.5	Very high	76 Å²	76	56.3 Å²	56.3	47%	0.466	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-44.2	174.3	-60.9	0	0	0	0	111.1	L289 K290 E291 L295 L296 E297	L289-T293 PolarHBondContact O-N 3.05Å; L289-T293 PolarHBondContact O-OG1 3.17Å; L289-T293 VanDerWaalsContact O-OG1 3.09Å; K290-T293 PolarHBondContact O-N 3.33Å; E291-T293 VanDerWaalsContact C-N 3.33Å; E291-T293 PolarHBondContact O-N 3.42Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 2.76Å; T293-L296 WeakPolarHBondContact O-CB 3.37Å; T293-L296 PolarHBondContact O-N 2.8Å; T293-L296 VanDerWaalsContact O-N 3.17Å; T293-E297 WeakPolarHBondContact O-CG 3.42Å; T293-E297 PolarHBondContact O-N 2.99Å
294	R	98	Very high	96.8	Very high	61 Å²	61	57.1 Å²	57.1	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-40	176.7	-176.4	56.8	176.2	147.9	3.8	112.5	K290 E291 S292 E297 L298 V326 D330	K290-R294 PolarHBondContact O-N 2.93Å; K290-R294 VanDerWaalsContact O-N 3.1Å; E291-R294 WeakPolarHBondContact O-CB 3.33Å; E291-R294 PolarHBondContact O-N 2.84Å; E291-R294 VanDerWaalsContact O-N 3.1Å; S292-R294 VanDerWaalsContact C-N 3.33Å; S292-R294 PolarHBondContact O-N 2.9Å; R294-E297 VanDerWaalsContact CD-OE2 3.26Å; R294-E297 WeakPolarHBondContact CD-OE2 3.45Å; R294-E297 IonicContact CZ-OE2 2.99Å; R294-E297 IonicContact NE-OE2 3.83Å; R294-E297 IonicContact NH1-OE2 3Å; R294-E297 PolarHBondContact NH1-OE2 3.19Å; R294-E297 WeakPolarHBondContact O-CB 2.94Å; R294-E297 PolarHBondContact O-N 2.85Å; R294-L298 WeakPolarHBondContact O-CG 3.18Å; R294-L298 PolarHBondContact O-N 3.42Å; R294-V326 HydrophobicContact CG-CG2 3.9Å; R294-D330 IonicContact CZ-OD1 3.46Å; R294-D330 IonicContact CZ-OD2 2.65Å; R294-D330 IonicContact NE-OD1 3.86Å; R294-D330 PolarHBondContact NE-OD1 3.2Å; R294-D330 IonicContact NE-OD2 2.82Å; R294-D330 PolarHBondContact NE-OD2 2.7Å; R294-D330 IonicContact NH2-OD1 2.97Å; R294-D330 PolarHBondContact NH2-OD1 3.41Å; R294-D330 IonicContact NH2-OD2 3.83Å
295	L	98.4	Very high	96.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-36.1	175.5	-56.2	-164.9	0	0	0	112.2	E291 S292 T293 E297 L298 K299 L314 M323 V326 L548	E291-L295 WeakPolarHBondContact O-CG 3.32Å; E291-L295 PolarHBondContact O-N 3.19Å; S292-L295 PolarHBondContact O-N 3.34Å; T293-L295 VanDerWaalsContact C-N 3.34Å; T293-L295 PolarHBondContact O-N 2.76Å; L295-E297 VanDerWaalsContact C-N 3.35Å; L295-L298 PolarHBondContact O-N 3.49Å; L295-K299 WeakPolarHBondContact O-CB 3.27Å; L295-K299 PolarHBondContact O-N 2.86Å; L295-L314 HydrophobicContact CB-CD1 3.9Å; L295-L314 HydrophobicContact CB-CD2 3.81Å; L295-L314 HydrophobicContact CD1-CD1 4.3Å; L295-M323 HydrophobicContact CD1-CG 4.12Å; L295-M323 HydrophobicContact CD2-CG 4.48Å; L295-V326 HydrophobicContact CD2-CG2 3.62Å; L295-L548 HydrophobicContact CD1-CD1 3.52Å; L295-L548 HydrophobicContact CG-CD1 4.08Å
296	L	98.2	Very high	97	Very high	35 Å²	35	62.9 Å²	62.9	18%	0.183	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-37	175.9	-77.6	169.2	0	0	0	112.4	S292 T293 K299 K300 F310 L314	S292-L296 PolarHBondContact O-N 2.9Å; T293-L296 WeakPolarHBondContact O-CB 3.37Å; T293-L296 PolarHBondContact O-N 2.8Å; T293-L296 VanDerWaalsContact O-N 3.17Å; L296-K299 PolarHBondContact O-N 2.74Å; L296-K300 PolarHBondContact O-N 3.48Å; L296-F310 HydrophobicContact CD2-CE2 4.38Å; L296-F310 HydrophobicContact CD2-CZ 4.28Å; L296-L314 HydrophobicContact CD2-CD2 3.98Å; L296-L314 HydrophobicContact CD2-CG 3.78Å; L296-L314 HydrophobicContact CG-CD1 4.35Å; L296-L314 HydrophobicContact CG-CD2 4.18Å; L296-L314 HydrophobicContact CG-CG 3.94Å
297	E	98.4	Very high	97.1	Very high	90 Å²	90	58 Å²	58	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-60.1	-50.1	172.5	-68.2	167.1	-177.3	0	0	111.1	T293 R294 L295 K299 K300 E301	T293-E297 WeakPolarHBondContact O-CG 3.42Å; T293-E297 PolarHBondContact O-N 2.99Å; R294-E297 VanDerWaalsContact CD-OE2 3.26Å; R294-E297 WeakPolarHBondContact CD-OE2 3.45Å; R294-E297 IonicContact CZ-OE2 2.99Å; R294-E297 IonicContact NE-OE2 3.83Å; R294-E297 IonicContact NH1-OE2 3Å; R294-E297 PolarHBondContact NH1-OE2 3.19Å; R294-E297 WeakPolarHBondContact O-CB 2.94Å; R294-E297 PolarHBondContact O-N 2.85Å; L295-E297 VanDerWaalsContact C-N 3.35Å; E297-K299 VanDerWaalsContact C-N 3.28Å; E297-K299 PolarHBondContact O-N 3.43Å; E297-K300 WeakPolarHBondContact O-CB 2.93Å; E297-K300 PolarHBondContact O-N 2.77Å; E297-K300 VanDerWaalsContact O-N 3.14Å; E297-E301 WeakPolarHBondContact O-CG 3.16Å; E297-E301 PolarHBondContact O-N 3.02Å
298	L	98.3	Very high	96.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-37.6	177.9	-65	173.3	0	0	0	112	R294 L295 E301 E302 Y322 M325 V326	R294-L298 WeakPolarHBondContact O-CG 3.18Å; R294-L298 PolarHBondContact O-N 3.42Å; L295-L298 PolarHBondContact O-N 3.49Å; L298-E301 PolarHBondContact O-N 2.79Å; L298-E302 PolarHBondContact O-N 2.81Å; L298-Y322 HydrophobicContact CB-CD1 3.66Å; L298-Y322 HydrophobicContact CB-CE1 4.16Å; L298-Y322 HydrophobicContact CB-CG 4.17Å; L298-M325 HydrophobicContact CD1-CB 4.01Å; L298-M325 HydrophobicContact CD2-CE 4.18Å; L298-V326 HydrophobicContact CD1-CG2 3.7Å
299	K	98.2	Very high	96.8	Very high	11 Å²	11	67.5 Å²	67.5	5%	0.048	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-43.8	174.2	-176.6	171.2	-179.1	167.7	0	112.6	L295 L296 E297 E301 E302 C303 F310 C313 L314 N315 D318 Y322	L295-K299 WeakPolarHBondContact O-CB 3.27Å; L295-K299 PolarHBondContact O-N 2.86Å; L296-K299 PolarHBondContact O-N 2.74Å; E297-K299 VanDerWaalsContact C-N 3.28Å; E297-K299 PolarHBondContact O-N 3.43Å; K299-E301 VanDerWaalsContact C-N 3.3Å; K299-E301 PolarHBondContact O-N 2.75Å; K299-E302 PolarHBondContact O-N 2.72Å; K299-C303 PolarHBondContact O-N 2.79Å; K299-C303 PolarHBondContact O-SG 2.89Å; K299-C303 VanDerWaalsContact O-SG 3.38Å; K299-F310 HydrophobicContact CB-CE2 4.19Å; K299-F310 HydrophobicContact CD-CE2 4.29Å; K299-F310 HydrophobicContact CG-CD2 4.19Å; K299-F310 HydrophobicContact CG-CE2 4.05Å; K299-C313 VanDerWaalsContact CD-O 3.3Å; K299-C313 WeakPolarHBondContact CD-O 3.33Å; K299-C313 WeakPolarHBondContact CE-O 3.39Å; K299-C313 PolarHBondContact NZ-O 3.05Å; K299-L314 HydrophobicContact CD-CD2 4.33Å; K299-N315 PolarHBondContact NZ-ND2 2.9Å; K299-D318 WeakPolarHBondContact CE-OD2 3.43Å; K299-D318 IonicContact NZ-OD2 3.41Å; K299-D318 PolarHBondContact NZ-OD2 3.22Å; K299-Y322 VanDerWaalsContact CA-CZ 3.42Å; K299-Y322 WeakPolarHBondContact CA-OH 3.44Å; K299-Y322 HydrophobicContact CB-CD2 4.29Å; K299-Y322 HydrophobicContact CB-CE1 4.49Å; K299-Y322 HydrophobicContact CB-CE2 3.49Å; K299-Y322 VanDerWaalsContact CB-CE2 3.49Å; K299-Y322 HydrophobicContact CD-CE2 4.22Å; K299-Y322 HydrophobicContact CG-CE2 3.9Å
300	K	98.1	Very high	96.8	Very high	106 Å²	106	66.3 Å²	66.3	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-59.6	-43.9	176.9	-173.5	-179.2	176.3	-175.7	0	111	L296 E297 E302 C303 D304 F310	L296-K300 PolarHBondContact O-N 3.48Å; E297-K300 WeakPolarHBondContact O-CB 2.93Å; E297-K300 PolarHBondContact O-N 2.77Å; E297-K300 VanDerWaalsContact O-N 3.14Å; K300-E302 PolarHBondContact O-N 2.71Å; K300-C303 PolarHBondContact O-N 2.78Å; K300-D304 WeakPolarHBondContact O-CB 3.49Å; K300-D304 VanDerWaalsContact O-CG 3.27Å; K300-D304 PolarHBondContact O-N 2.97Å; K300-F310 HydrophobicContact CB-CD1 4.23Å; K300-F310 HydrophobicContact CB-CD2 4.01Å; K300-F310 HydrophobicContact CB-CE1 4.14Å; K300-F310 HydrophobicContact CB-CE2 3.92Å; K300-F310 HydrophobicContact CB-CG 4.16Å; K300-F310 HydrophobicContact CB-CZ 3.97Å; K300-F310 HydrophobicContact CD-CD1 4.25Å; K300-F310 HydrophobicContact CD-CE1 4.21Å; K300-F310 HydrophobicContact CG-CD1 3.98Å; K300-F310 HydrophobicContact CG-CD2 4.45Å; K300-F310 HydrophobicContact CG-CE1 4.22Å; K300-F310 HydrophobicContact CG-CG 4.09Å
301	E	97.9	Very high	96.7	Very high	83 Å²	83	62.9 Å²	62.9	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-42.5	175	-65.7	173.3	-157.8	0	0	112.7	E297 L298 K299 R305 R329	E297-E301 WeakPolarHBondContact O-CG 3.16Å; E297-E301 PolarHBondContact O-N 3.02Å; L298-E301 PolarHBondContact O-N 2.79Å; K299-E301 VanDerWaalsContact C-N 3.3Å; K299-E301 PolarHBondContact O-N 2.75Å; E301-R305 VanDerWaalsContact O-CB 3.3Å; E301-R305 WeakPolarHBondContact O-CB 3.29Å; E301-R305 PolarHBondContact O-N 2.81Å; E301-R329 IonicContact OE1-NH1 3.67Å; E301-R329 IonicContact OE2-CZ 2.71Å; E301-R329 IonicContact OE2-NH1 2.81Å; E301-R329 PolarHBondContact OE2-NH1 2.98Å; E301-R329 IonicContact OE2-NH2 3.24Å
302	E	97.3	Very high	96.5	Very high	12 Å²	12	66.8 Å²	66.8	6%	0.056	34%	0.344	C	S	.	.	H	α-helix	trans	-62.7	-45.8	175.5	-172.6	-173.6	-117.9	0	0	111.2	P216 R219 L298 K299 K300 R305 L306 Y321 Y322	P216-E302 VanDerWaalsContact CG-OE2 3.3Å; P216-E302 WeakPolarHBondContact CG-OE2 3.35Å; R219-E302 IonicContact CZ-OE1 2.79Å; R219-E302 IonicContact NH1-OE1 3.97Å; R219-E302 PolarHBondContact NH1-OE1 2.91Å; R219-E302 IonicContact NH2-OE1 2.76Å; R219-E302 PolarHBondContact NH2-OE1 2.85Å; R219-E302 IonicContact NH2-OE2 3.23Å; R219-E302 PolarHBondContact NH2-OE2 2.81Å; L298-E302 PolarHBondContact O-N 2.81Å; K299-E302 PolarHBondContact O-N 2.72Å; K300-E302 PolarHBondContact O-N 2.71Å; E302-R305 PolarHBondContact O-N 3.18Å; E302-L306 HydrophobicContact CG-CD1 3.84Å; E302-L306 HydrophobicContact CG-CG 4.43Å; E302-L306 WeakPolarHBondContact O-CB 3.25Å; E302-L306 WeakPolarHBondContact O-CG 3.3Å; E302-L306 PolarHBondContact O-N 2.97Å; E302-Y321 VanDerWaalsContact OE1-CE1 3.27Å; E302-Y321 WeakPolarHBondContact OE1-CE1 3.45Å; E302-Y322 HydrophobicContact CB-CE1 4.41Å; E302-Y322 VanDerWaalsContact CD-OH 3.3Å; E302-Y322 PolarHBondContact OE2-OH 3.1Å
303	C	97.1	Very high	96.4	Very high	8 Å²	8	69.4 Å²	69.4	5%	0.054	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-48.4	177.3	-73	0	0	0	0	111.9	K299 K300 R305 L306 G307 Y308 F310	K299-C303 PolarHBondContact O-N 2.79Å; K299-C303 PolarHBondContact O-SG 2.89Å; K299-C303 VanDerWaalsContact O-SG 3.38Å; K300-C303 PolarHBondContact O-N 2.78Å; C303-R305 VanDerWaalsContact C-N 3.33Å; C303-R305 PolarHBondContact O-N 3.19Å; C303-L306 PolarHBondContact O-N 3.11Å; C303-G307 WeakPolarHBondContact O-CA 3.17Å; C303-G307 PolarHBondContact O-N 3.04Å; C303-Y308 WeakPolarHBondContact CB-O 3.39Å; C303-Y308 PolarHBondContact O-N 3.36Å; C303-F310 HydrophobicContact CB-CB 4.04Å
304	D	97.3	Very high	96.3	Very high	112 Å²	112	66.5 Å²	66.5	60%	0.599	34%	0.343	S	S	*	.	H	α-helix	trans	-62.2	-41.1	179.2	-69.3	-18.6	0	0	0	111.1	K300	K300-D304 WeakPolarHBondContact O-CB 3.49Å; K300-D304 VanDerWaalsContact O-CG 3.27Å; K300-D304 PolarHBondContact O-N 2.97Å
305	R	96.2	Very high	96.3	Very high	153 Å²	153	65.5 Å²	65.5	58%	0.577	34%	0.342	S	S	*	.	H	α-helix	trans	-65.9	-38.7	177.8	-177.7	-176.3	65.8	94	-0.3	113.1	E301 E302 C303	E301-R305 VanDerWaalsContact O-CB 3.3Å; E301-R305 WeakPolarHBondContact O-CB 3.29Å; E301-R305 PolarHBondContact O-N 2.81Å; E302-R305 PolarHBondContact O-N 3.18Å; C303-R305 VanDerWaalsContact C-N 3.33Å; C303-R305 PolarHBondContact O-N 3.19Å
306	L	95.2	Very high	96.2	Very high	62 Å²	62	66.5 Å²	66.5	33%	0.325	35%	0.349	S	S	.	.	H	α-helix	trans	-95.2	-5.5	-175.9	-63.7	-178.8	0	0	0	113.6	P216 E302 C303 Y308	P216-L306 HydrophobicContact CG-CD1 3.96Å; E302-L306 HydrophobicContact CG-CD1 3.84Å; E302-L306 HydrophobicContact CG-CG 4.43Å; E302-L306 WeakPolarHBondContact O-CB 3.25Å; E302-L306 WeakPolarHBondContact O-CG 3.3Å; E302-L306 PolarHBondContact O-N 2.97Å; C303-L306 PolarHBondContact O-N 3.11Å; L306-Y308 HydrophobicContact CB-CD2 3.58Å; L306-Y308 HydrophobicContact CB-CE2 3.57Å; L306-Y308 HydrophobicContact CB-CG 4.33Å; L306-Y308 HydrophobicContact CD1-CD2 4.06Å; L306-Y308 HydrophobicContact CD1-CE2 3.58Å; L306-Y308 HydrophobicContact CG-CD2 4.47Å; L306-Y308 HydrophobicContact CG-CE2 4.21Å
307	G	94.5	Very high	96.2	Very high	68 Å²	68	66.7 Å²	66.7	70%	0.701	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	28.7	-177.6	0	0	0	0	0	113.9	C303	C303-G307 WeakPolarHBondContact O-CA 3.17Å; C303-G307 PolarHBondContact O-N 3.04Å
308	Y	91.5	Very high	96.2	Very high	123 Å²	123	62.5 Å²	62.5	48%	0.482	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-94	152.2	176.1	-62.7	-45.2	0	0	0	112.2	P216 C303 L306 F310	P216-Y308 HydrophobicContact CG-CE2 4.11Å; C303-Y308 WeakPolarHBondContact CB-O 3.39Å; C303-Y308 PolarHBondContact O-N 3.36Å; L306-Y308 HydrophobicContact CB-CD2 3.58Å; L306-Y308 HydrophobicContact CB-CE2 3.57Å; L306-Y308 HydrophobicContact CB-CG 4.33Å; L306-Y308 HydrophobicContact CD1-CD2 4.06Å; L306-Y308 HydrophobicContact CD1-CE2 3.58Å; L306-Y308 HydrophobicContact CG-CD2 4.47Å; L306-Y308 HydrophobicContact CG-CE2 4.21Å; Y308-F310 PolarHBondContact O-N 2.79Å
309	T	93.3	Very high	96.1	Very high	135 Å²	135	63.9 Å²	63.9	83%	0.828	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-70.6	119.2	173.3	-54.7	0	0	0	0	110.8
310	F	95.4	Very high	96.1	Very high	55 Å²	55	67.7 Å²	67.7	24%	0.241	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-79.1	120.3	170.8	179.1	-114.9	0	0	0	110.9	L296 K299 K300 C303 Y308 N312	L296-F310 HydrophobicContact CD2-CE2 4.38Å; L296-F310 HydrophobicContact CD2-CZ 4.28Å; K299-F310 HydrophobicContact CB-CE2 4.19Å; K299-F310 HydrophobicContact CD-CE2 4.29Å; K299-F310 HydrophobicContact CG-CD2 4.19Å; K299-F310 HydrophobicContact CG-CE2 4.05Å; K300-F310 HydrophobicContact CB-CD1 4.23Å; K300-F310 HydrophobicContact CB-CD2 4.01Å; K300-F310 HydrophobicContact CB-CE1 4.14Å; K300-F310 HydrophobicContact CB-CE2 3.92Å; K300-F310 HydrophobicContact CB-CG 4.16Å; K300-F310 HydrophobicContact CB-CZ 3.97Å; K300-F310 HydrophobicContact CD-CD1 4.25Å; K300-F310 HydrophobicContact CD-CE1 4.21Å; K300-F310 HydrophobicContact CG-CD1 3.98Å; K300-F310 HydrophobicContact CG-CD2 4.45Å; K300-F310 HydrophobicContact CG-CE1 4.22Å; K300-F310 HydrophobicContact CG-CG 4.09Å; C303-F310 HydrophobicContact CB-CB 4.04Å; Y308-F310 PolarHBondContact O-N 2.79Å; F310-N312 HydrophobicContact CE1-CB 3.88Å; F310-N312 HydrophobicContact CZ-CB 4.13Å
311	N	93.9	Very high	96.1	Very high	93 Å²	93	63.9 Å²	63.9	50%	0.497	33%	0.333	S	S	.	.			trans	-103.3	8.5	-177.6	68.3	-6.9	0	0	0	114.3	C313	N311-C313 PolarHBondContact O-N 2.96Å; N311-C313 PolarHBondContact OD1-N 3.33Å
312	N	94.8	Very high	96.1	Very high	105 Å²	105	59.9 Å²	59.9	56%	0.561	31%	0.314	S	S	*	.	S	Bend	trans	56.8	27.3	-179	-159.4	51.1	0	0	0	115.4	F310	F310-N312 HydrophobicContact CE1-CB 3.88Å; F310-N312 HydrophobicContact CZ-CB 4.13Å
313	C	95	Very high	96.1	Very high	68 Å²	68	61.2 Å²	61.2	46%	0.459	32%	0.321	S	S	.	.			trans	-122.5	150.9	173.7	-64.6	0	0	0	0	110.2	K299 N311	K299-C313 VanDerWaalsContact CD-O 3.3Å; K299-C313 WeakPolarHBondContact CD-O 3.33Å; K299-C313 WeakPolarHBondContact CE-O 3.39Å; K299-C313 PolarHBondContact NZ-O 3.05Å; N311-C313 PolarHBondContact O-N 2.96Å; N311-C313 PolarHBondContact OD1-N 3.33Å
314	L	96.5	Very high	96.1	Very high	16 Å²	16	61 Å²	61	8%	0.084	32%	0.32	C	S	.	.			trans	-94.3	135.9	167.4	-68.7	170.7	0	0	0	109.4	L295 L296 K299 Y322 I586	L295-L314 HydrophobicContact CB-CD1 3.9Å; L295-L314 HydrophobicContact CB-CD2 3.81Å; L295-L314 HydrophobicContact CD1-CD1 4.3Å; L296-L314 HydrophobicContact CD2-CD2 3.98Å; L296-L314 HydrophobicContact CD2-CG 3.78Å; L296-L314 HydrophobicContact CG-CD1 4.35Å; L296-L314 HydrophobicContact CG-CD2 4.18Å; L296-L314 HydrophobicContact CG-CG 3.94Å; K299-L314 HydrophobicContact CD-CD2 4.33Å; L314-Y322 HydrophobicContact CD2-CD2 4.34Å; L314-I586 HydrophobicContact CB-CD1 4.26Å; L314-I586 HydrophobicContact CB-CG1 4.16Å
315	N	96.5	Very high	96.1	Very high	39 Å²	39	56.4 Å²	56.4	21%	0.209	30%	0.295	C	S	.	.			trans	-99.4	161.7	172.1	-57.1	-59	0	0	0	110.6	K299 W317 D318	K299-N315 PolarHBondContact NZ-ND2 2.9Å; N315-W317 VanDerWaalsContact C-N 3.32Å; N315-W317 HydrophobicContact CB-CD2 3.62Å; N315-W317 VanDerWaalsContact CB-CE2 3.44Å; N315-W317 HydrophobicContact CB-CE3 3.76Å; N315-W317 HydrophobicContact CB-CG 4.37Å; N315-W317 HydrophobicContact CB-CH2 3.62Å; N315-W317 HydrophobicContact CB-CZ2 3.47Å; N315-W317 VanDerWaalsContact CB-CZ2 3.47Å; N315-W317 HydrophobicContact CB-CZ3 3.76Å; N315-W317 WeakPolarHBondContact ND2-CZ2 3.48Å; N315-W317 PolarHBondContact O-N 3.4Å; N315-D318 VanDerWaalsContact CB-OD2 3.3Å; N315-D318 WeakPolarHBondContact CB-OD2 3.49Å; N315-D318 PolarHBondContact N-OD2 2.87Å; N315-D318 PolarHBondContact ND2-OD2 2.95Å; N315-D318 VanDerWaalsContact O-CB 3.26Å; N315-D318 WeakPolarHBondContact O-CB 3.3Å; N315-D318 PolarHBondContact O-N 3.22Å; N315-D318 VanDerWaalsContact O-N 3.09Å
316	P	97	Very high	96.1	Very high	22 Å²	22	49.5 Å²	49.5	14%	0.143	27%	0.269	C	S	.	.	H	α-helix	trans	-53.9	-44.8	176.8	-30.3	38.2	0	0	0	113.8	E223 D318 T319 I586 E587 I589	E223-P316 HydrophobicContact CG-CB 4.19Å; P316-D318 PolarHBondContact O-N 3.49Å; P316-D318 VanDerWaalsContact O-N 3.16Å; P316-T319 WeakPolarHBondContact O-CB 3.43Å; P316-T319 PolarHBondContact O-N 3.21Å; P316-T319 PolarHBondContact O-OG1 2.88Å; P316-I586 HydrophobicContact CG-CG2 3.95Å; P316-E587 WeakPolarHBondContact CD-O 3.39Å; P316-E587 WeakPolarHBondContact CG-O 3.24Å; P316-I589 HydrophobicContact CB-CD1 4.49Å; P316-I589 HydrophobicContact CB-CG1 4.1Å; P316-I589 HydrophobicContact CG-CG1 3.85Å
317	W	98	Very high	96.2	Very high	39 Å²	39	48.8 Å²	48.8	15%	0.148	26%	0.264	C	S	.	.	H	α-helix	trans	-71.1	-7.7	-178.5	63.1	83.7	0	0	0	114.9	M210 R219 R220 E223 N315 I589	M210-W317 HydrophobicContact CE-CB 4.02Å; R219-W317 HydrophobicContact CB-CB 4.11Å; R219-W317 PolarHBondContact NE-O 2.98Å; R220-W317 HydrophobicContact CB-CD2 3.9Å; R220-W317 HydrophobicContact CB-CE3 4.35Å; R220-W317 HydrophobicContact CB-CG 4Å; R220-W317 HydrophobicContact CG-CD2 3.85Å; R220-W317 HydrophobicContact CG-CE3 3.84Å; R220-W317 HydrophobicContact CG-CG 4.45Å; R220-W317 HydrophobicContact CG-CH2 4.15Å; R220-W317 HydrophobicContact CG-CZ2 4.14Å; R220-W317 HydrophobicContact CG-CZ3 3.99Å; E223-W317 HydrophobicContact CB-CB 3.76Å; E223-W317 HydrophobicContact CG-CB 3.99Å; N315-W317 VanDerWaalsContact C-N 3.32Å; N315-W317 HydrophobicContact CB-CD2 3.62Å; N315-W317 VanDerWaalsContact CB-CE2 3.44Å; N315-W317 HydrophobicContact CB-CE3 3.76Å; N315-W317 HydrophobicContact CB-CG 4.37Å; N315-W317 HydrophobicContact CB-CH2 3.62Å; N315-W317 HydrophobicContact CB-CZ2 3.47Å; N315-W317 VanDerWaalsContact CB-CZ2 3.47Å; N315-W317 HydrophobicContact CB-CZ3 3.76Å; N315-W317 WeakPolarHBondContact ND2-CZ2 3.48Å; N315-W317 PolarHBondContact O-N 3.4Å; W317-I589 HydrophobicContact CE3-CD1 3.65Å; W317-I589 HydrophobicContact CE3-CG1 3.91Å; W317-I589 HydrophobicContact CZ3-CD1 4Å; W317-I589 HydrophobicContact CZ3-CG1 3.86Å
318	D	98.1	Very high	96.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-84	-30.1	175.3	-69.3	-30.2	0	0	0	111.6	R219 K299 N315 P316 R320 Y321 Y322	R219-D318 IonicContact NH2-OD1 3.99Å; K299-D318 WeakPolarHBondContact CE-OD2 3.43Å; K299-D318 IonicContact NZ-OD2 3.41Å; K299-D318 PolarHBondContact NZ-OD2 3.22Å; N315-D318 VanDerWaalsContact CB-OD2 3.3Å; N315-D318 WeakPolarHBondContact CB-OD2 3.49Å; N315-D318 PolarHBondContact N-OD2 2.87Å; N315-D318 PolarHBondContact ND2-OD2 2.95Å; N315-D318 VanDerWaalsContact O-CB 3.26Å; N315-D318 WeakPolarHBondContact O-CB 3.3Å; N315-D318 PolarHBondContact O-N 3.22Å; N315-D318 VanDerWaalsContact O-N 3.09Å; P316-D318 PolarHBondContact O-N 3.49Å; P316-D318 VanDerWaalsContact O-N 3.16Å; D318-R320 PolarHBondContact O-N 3.24Å; D318-Y321 PolarHBondContact O-N 3.37Å; D318-Y322 HydrophobicContact CB-CD2 3.65Å; D318-Y322 HydrophobicContact CB-CE2 3.42Å; D318-Y322 VanDerWaalsContact CB-CE2 3.42Å; D318-Y322 WeakPolarHBondContact O-CD2 3.09Å; D318-Y322 PolarHBondContact O-N 3.44Å
319	T	97	Very high	96.4	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.184	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-55.4	-162.2	-55.7	0	0	0	0	112.4	P316 Y321 M323	P316-T319 WeakPolarHBondContact O-CB 3.43Å; P316-T319 PolarHBondContact O-N 3.21Å; P316-T319 PolarHBondContact O-OG1 2.88Å; T319-Y321 VanDerWaalsContact C-N 3.32Å; T319-Y321 PolarHBondContact O-N 2.98Å; T319-M323 HydrophobicContact CG2-CG 4.36Å; T319-M323 HydrophobicContact CG2-SD 3.54Å; T319-M323 VanDerWaalsContact CG2-SD 3.54Å; T319-M323 VanDerWaalsContact O-CB 3.25Å; T319-M323 WeakPolarHBondContact O-CB 3.11Å; T319-M323 WeakPolarHBondContact O-CG 3.25Å; T319-M323 PolarHBondContact O-N 3.43Å
320	R	97.2	Very high	96.5	Very high	91 Å²	91	45.5 Å²	45.5	34%	0.343	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-37.2	-177.5	-66.8	-176.9	-174.6	-74.2	-6.1	112.4	Y206 F207 M210 Q211 D318 N324	Y206-R320 PolarHBondContact OH-NE 3.36Å; F207-R320 VanDerWaalsContact CE1-CZ 3.46Å; M210-R320 HydrophobicContact CB-CB 4.1Å; Q211-R320 HydrophobicContact CG-CB 4.39Å; D318-R320 PolarHBondContact O-N 3.24Å; R320-N324 WeakPolarHBondContact O-CB 3.09Å; R320-N324 PolarHBondContact O-N 2.91Å
321	Y	98.2	Very high	96.5	Very high	25 Å²	25	45.5 Å²	45.5	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-53.2	179.5	-178.6	-110.2	0	0	0	111	M210 Q211 R219 E302 D318 T319 N324 M325	M210-Y321 WeakPolarHBondContact O-CA 3.24Å; M210-Y321 WeakPolarHBondContact O-CB 3.2Å; M210-Y321 PolarHBondContact O-N 2.92Å; M210-Y321 VanDerWaalsContact O-N 3.12Å; Q211-Y321 WeakPolarHBondContact O-CD2 3.45Å; R219-Y321 VanDerWaalsContact CZ-CD1 3.49Å; E302-Y321 VanDerWaalsContact OE1-CE1 3.27Å; E302-Y321 WeakPolarHBondContact OE1-CE1 3.45Å; D318-Y321 PolarHBondContact O-N 3.37Å; T319-Y321 VanDerWaalsContact C-N 3.32Å; T319-Y321 PolarHBondContact O-N 2.98Å; Y321-N324 WeakPolarHBondContact O-CB 3.35Å; Y321-N324 PolarHBondContact O-N 3.46Å; Y321-M325 HydrophobicContact CD1-SD 3.96Å; Y321-M325 HydrophobicContact CE1-SD 3.41Å; Y321-M325 WeakPolarHBondContact CE1-SD 3.36Å; Y321-M325 HydrophobicContact CE2-SD 4.49Å; Y321-M325 WeakPolarHBondContact O-CG 3.2Å; Y321-M325 PolarHBondContact O-N 3.08Å
322	Y	98.4	Very high	96.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71.3	-33.9	179.8	-60.3	-46.6	0	0	0	112.8	L298 K299 E302 L314 D318 N324 M325 V326	L298-Y322 HydrophobicContact CB-CD1 3.66Å; L298-Y322 HydrophobicContact CB-CE1 4.16Å; L298-Y322 HydrophobicContact CB-CG 4.17Å; K299-Y322 VanDerWaalsContact CA-CZ 3.42Å; K299-Y322 WeakPolarHBondContact CA-OH 3.44Å; K299-Y322 HydrophobicContact CB-CD2 4.29Å; K299-Y322 HydrophobicContact CB-CE1 4.49Å; K299-Y322 HydrophobicContact CB-CE2 3.49Å; K299-Y322 VanDerWaalsContact CB-CE2 3.49Å; K299-Y322 HydrophobicContact CD-CE2 4.22Å; K299-Y322 HydrophobicContact CG-CE2 3.9Å; E302-Y322 HydrophobicContact CB-CE1 4.41Å; E302-Y322 VanDerWaalsContact CD-OH 3.3Å; E302-Y322 PolarHBondContact OE2-OH 3.1Å; L314-Y322 HydrophobicContact CD2-CD2 4.34Å; D318-Y322 HydrophobicContact CB-CD2 3.65Å; D318-Y322 HydrophobicContact CB-CE2 3.42Å; D318-Y322 VanDerWaalsContact CB-CE2 3.42Å; D318-Y322 WeakPolarHBondContact O-CD2 3.09Å; D318-Y322 PolarHBondContact O-N 3.44Å; Y322-N324 VanDerWaalsContact C-N 3.28Å; Y322-N324 PolarHBondContact O-N 3.09Å; Y322-M325 HydrophobicContact CD1-SD 3.78Å; Y322-M325 HydrophobicContact CE1-SD 4.18Å; Y322-M325 PolarHBondContact O-N 3.25Å; Y322-V326 WeakPolarHBondContact O-CG2 3.1Å; Y322-V326 PolarHBondContact O-N 3.04Å
323	M	97.5	Very high	96.4	Very high	39 Å²	39	39.7 Å²	39.7	19%	0.192	20%	0.195	C	C	.	.	H	α-helix	trans	-61	-38	172	-75	173.1	76.2	0	0	111.8	L295 T319 K327 N545 L548	L295-M323 HydrophobicContact CD1-CG 4.12Å; L295-M323 HydrophobicContact CD2-CG 4.48Å; T319-M323 HydrophobicContact CG2-CG 4.36Å; T319-M323 HydrophobicContact CG2-SD 3.54Å; T319-M323 VanDerWaalsContact CG2-SD 3.54Å; T319-M323 VanDerWaalsContact O-CB 3.25Å; T319-M323 WeakPolarHBondContact O-CB 3.11Å; T319-M323 WeakPolarHBondContact O-CG 3.25Å; T319-M323 PolarHBondContact O-N 3.43Å; M323-K327 PolarHBondContact O-N 3.18Å; M323-N545 HydrophobicContact CB-CB 4.44Å; M323-N545 HydrophobicContact CE-CB 3.37Å; M323-N545 HydrophobicContact CG-CB 3.97Å; M323-N545 PolarHBondContact O-ND2 3.29Å; M323-N545 HydrophobicContact SD-CB 4.41Å; M323-L548 HydrophobicContact CG-CD1 4.4Å
324	N	96.6	Very high	96.1	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-44.5	172.5	177.5	71.4	0	0	0	111.1	Q211 K212 R320 Y321 Y322 V326 K327 E328	Q211-N324 HydrophobicContact CB-CB 4.13Å; Q211-N324 HydrophobicContact CG-CB 4.45Å; Q211-N324 PolarHBondContact O-ND2 2.95Å; K212-N324 WeakPolarHBondContact CE-ND2 3.36Å; R320-N324 WeakPolarHBondContact O-CB 3.09Å; R320-N324 PolarHBondContact O-N 2.91Å; Y321-N324 WeakPolarHBondContact O-CB 3.35Å; Y321-N324 PolarHBondContact O-N 3.46Å; Y322-N324 VanDerWaalsContact C-N 3.28Å; Y322-N324 PolarHBondContact O-N 3.09Å; N324-V326 VanDerWaalsContact C-N 3.31Å; N324-V326 PolarHBondContact O-N 3.31Å; N324-K327 WeakPolarHBondContact O-CB 3.43Å; N324-K327 PolarHBondContact O-N 2.85Å; N324-K327 VanDerWaalsContact O-N 3.08Å; N324-E328 PolarHBondContact ND2-OE1 3.16Å; N324-E328 PolarHBondContact O-N 3.45Å
325	M	97	Very high	95.6	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-62	-34.8	175.9	-70.4	179.1	69.5	0	0	113.4	L298 Y321 Y322 K327 E328 R329	L298-M325 HydrophobicContact CD1-CB 4.01Å; L298-M325 HydrophobicContact CD2-CE 4.18Å; Y321-M325 HydrophobicContact CD1-SD 3.96Å; Y321-M325 HydrophobicContact CE1-SD 3.41Å; Y321-M325 WeakPolarHBondContact CE1-SD 3.36Å; Y321-M325 HydrophobicContact CE2-SD 4.49Å; Y321-M325 WeakPolarHBondContact O-CG 3.2Å; Y321-M325 PolarHBondContact O-N 3.08Å; Y322-M325 HydrophobicContact CD1-SD 3.78Å; Y322-M325 HydrophobicContact CE1-SD 4.18Å; Y322-M325 PolarHBondContact O-N 3.25Å; M325-K327 VanDerWaalsContact C-N 3.33Å; M325-E328 PolarHBondContact O-N 3.19Å; M325-R329 WeakPolarHBondContact O-CB 3.4Å; M325-R329 WeakPolarHBondContact O-CG 3.21Å; M325-R329 PolarHBondContact O-N 3.24Å
326	V	97.7	Very high	95.1	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-43.9	172.5	166.4	0	0	0	0	110.5	R294 L295 L298 Y322 N324 E328 D330 Y331	R294-V326 HydrophobicContact CG-CG2 3.9Å; L295-V326 HydrophobicContact CD2-CG2 3.62Å; L298-V326 HydrophobicContact CD1-CG2 3.7Å; Y322-V326 WeakPolarHBondContact O-CG2 3.1Å; Y322-V326 PolarHBondContact O-N 3.04Å; N324-V326 VanDerWaalsContact C-N 3.31Å; N324-V326 PolarHBondContact O-N 3.31Å; V326-E328 VanDerWaalsContact C-N 3.33Å; V326-E328 PolarHBondContact O-N 3.28Å; V326-D330 HydrophobicContact CG1-CB 4.31Å; V326-D330 WeakPolarHBondContact O-CA 3.37Å; V326-D330 VanDerWaalsContact O-CB 3.29Å; V326-D330 WeakPolarHBondContact O-CB 3.36Å; V326-D330 PolarHBondContact O-N 2.99Å; V326-Y331 HydrophobicContact CG1-CD2 4.31Å; V326-Y331 HydrophobicContact CG1-CE2 4.1Å; V326-Y331 PolarHBondContact O-N 3.44Å
327	K	95.6	Very high	94.6	Very high	48 Å²	48	40.5 Å²	40.5	21%	0.209	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-44.3	175.3	-69	174.8	170.2	-177.1	0	111.3	M323 N324 M325 Y331 S332 V333 E335 A544	M323-K327 PolarHBondContact O-N 3.18Å; N324-K327 WeakPolarHBondContact O-CB 3.43Å; N324-K327 PolarHBondContact O-N 2.85Å; N324-K327 VanDerWaalsContact O-N 3.08Å; M325-K327 VanDerWaalsContact C-N 3.33Å; K327-Y331 CarbonylContact O-C 3.35Å; K327-Y331 WeakPolarHBondContact O-CA 3.42Å; K327-Y331 WeakPolarHBondContact O-CB 3.47Å; K327-Y331 PolarHBondContact O-N 2.93Å; K327-S332 PolarHBondContact O-N 3.35Å; K327-S332 VanDerWaalsContact O-N 3.13Å; K327-V333 HydrophobicContact CB-CB 4.36Å; K327-V333 PolarHBondContact O-N 3.17Å; K327-E335 WeakPolarHBondContact CD-OE1 3.5Å; K327-E335 IonicContact NZ-OE1 3.13Å; K327-E335 PolarHBondContact NZ-OE1 3.42Å; K327-A544 HydrophobicContact CG-CB 3.98Å
328	E	95.2	Very high	94.2	Very high	61 Å²	61	38.8 Å²	38.8	29%	0.285	19%	0.194	S	C	.	.	H	α-helix	trans	-65.6	-46.8	179.7	-69.9	170.4	178.6	0	0	112.8	K212 N324 M325 V326 S332 V333	K212-E328 WeakPolarHBondContact CE-OE1 3.37Å; K212-E328 IonicContact NZ-OE1 2.94Å; K212-E328 PolarHBondContact NZ-OE1 3.28Å; N324-E328 PolarHBondContact ND2-OE1 3.16Å; N324-E328 PolarHBondContact O-N 3.45Å; M325-E328 PolarHBondContact O-N 3.19Å; V326-E328 VanDerWaalsContact C-N 3.33Å; V326-E328 PolarHBondContact O-N 3.28Å; E328-S332 WeakPolarHBondContact O-CA 3.22Å; E328-S332 PolarHBondContact O-N 2.95Å; E328-V333 VanDerWaalsContact CA-O 3.3Å; E328-V333 WeakPolarHBondContact CA-O 3.43Å; E328-V333 WeakPolarHBondContact CG-O 3.44Å; E328-V333 PolarHBondContact N-O 3.46Å
329	R	95.7	Very high	93.9	Very high	122 Å²	122	40.1 Å²	40.1	46%	0.46	20%	0.2	S	C	.	.	H	α-helix	trans	-89.9	-41.7	-169.9	-65.2	-179.3	175.6	-164.6	-0.6	113.3	E301 M325	E301-R329 IonicContact OE1-NH1 3.67Å; E301-R329 IonicContact OE2-CZ 2.71Å; E301-R329 IonicContact OE2-NH1 2.81Å; E301-R329 PolarHBondContact OE2-NH1 2.98Å; E301-R329 IonicContact OE2-NH2 3.24Å; M325-R329 WeakPolarHBondContact O-CB 3.4Å; M325-R329 WeakPolarHBondContact O-CG 3.21Å; M325-R329 PolarHBondContact O-N 3.24Å
330	D	95.7	Very high	93.6	Very high	74 Å²	74	44.3 Å²	44.3	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-94.8	-23.1	-171.7	-56.6	-7	0	0	0	111.4	R294 V326	R294-D330 IonicContact CZ-OD1 3.46Å; R294-D330 IonicContact CZ-OD2 2.65Å; R294-D330 IonicContact NE-OD1 3.86Å; R294-D330 PolarHBondContact NE-OD1 3.2Å; R294-D330 IonicContact NE-OD2 2.82Å; R294-D330 PolarHBondContact NE-OD2 2.7Å; R294-D330 IonicContact NH2-OD1 2.97Å; R294-D330 PolarHBondContact NH2-OD1 3.41Å; R294-D330 IonicContact NH2-OD2 3.83Å; V326-D330 HydrophobicContact CG1-CB 4.31Å; V326-D330 WeakPolarHBondContact O-CA 3.37Å; V326-D330 VanDerWaalsContact O-CB 3.29Å; V326-D330 WeakPolarHBondContact O-CB 3.36Å; V326-D330 PolarHBondContact O-N 2.99Å
331	Y	94.3	Very high	93.4	Very high	55 Å²	55	42.5 Å²	42.5	22%	0.216	21%	0.209	C	C	.	.	S	Bend	trans	-116.4	-3	177.7	-64	-94.4	0	0	0	113.5	V326 K327 V333 N537 N540 I543 A544	V326-Y331 HydrophobicContact CG1-CD2 4.31Å; V326-Y331 HydrophobicContact CG1-CE2 4.1Å; V326-Y331 PolarHBondContact O-N 3.44Å; K327-Y331 CarbonylContact O-C 3.35Å; K327-Y331 WeakPolarHBondContact O-CA 3.42Å; K327-Y331 WeakPolarHBondContact O-CB 3.47Å; K327-Y331 PolarHBondContact O-N 2.93Å; Y331-V333 PolarHBondContact O-N 3.29Å; Y331-N537 VanDerWaalsContact O-CB 3.22Å; Y331-N537 WeakPolarHBondContact O-CB 3.46Å; Y331-N537 VanDerWaalsContact O-CG 3.32Å; Y331-N540 HydrophobicContact CD1-CB 4.3Å; Y331-N540 WeakPolarHBondContact CD1-O 3.38Å; Y331-N540 WeakPolarHBondContact CE1-O 3.2Å; Y331-I543 HydrophobicContact CE1-CG1 4.05Å; Y331-A544 HydrophobicContact CD2-CB 3.67Å; Y331-A544 HydrophobicContact CE1-CB 4.37Å; Y331-A544 HydrophobicContact CE2-CB 3.44Å; Y331-A544 VanDerWaalsContact CE2-CB 3.44Å; Y331-A544 HydrophobicContact CG-CB 4.24Å
332	S	94.7	Very high	93.3	Very high	73 Å²	73	41.3 Å²	41.3	51%	0.51	20%	0.204	S	C	.	.			trans	55.7	38.8	180	-62.5	0	0	0	0	113.1	K327 E328 N537	K327-S332 PolarHBondContact O-N 3.35Å; K327-S332 VanDerWaalsContact O-N 3.13Å; E328-S332 WeakPolarHBondContact O-CA 3.22Å; E328-S332 PolarHBondContact O-N 2.95Å; S332-N537 WeakPolarHBondContact CB-ND2 3.46Å; S332-N537 PolarHBondContact O-ND2 3.11Å
333	V	91.8	Very high	93.1	Very high	2 Å²	2	43 Å²	43	1%	0.012	22%	0.216	C	C	.	.			trans	-108.7	110.8	179.3	170	0	0	0	0	109.9	K327 E328 Y331 E335 L338 N537	K327-V333 HydrophobicContact CB-CB 4.36Å; K327-V333 PolarHBondContact O-N 3.17Å; E328-V333 VanDerWaalsContact CA-O 3.3Å; E328-V333 WeakPolarHBondContact CA-O 3.43Å; E328-V333 WeakPolarHBondContact CG-O 3.44Å; E328-V333 PolarHBondContact N-O 3.46Å; Y331-V333 PolarHBondContact O-N 3.29Å; V333-E335 HydrophobicContact CG1-CG 4.29Å; V333-L338 HydrophobicContact CB-CD1 4.42Å; V333-L338 HydrophobicContact CG1-CD1 3.48Å; V333-L338 VanDerWaalsContact CG1-CD1 3.48Å; V333-N537 VanDerWaalsContact CG2-C 3.44Å; V333-N537 HydrophobicContact CG2-CB 3.87Å; V333-N537 VanDerWaalsContact CG2-O 3.32Å; V333-N537 WeakPolarHBondContact CG2-O 3.36Å
334	D	88.8	Confident	93.1	Very high	67 Å²	67	42 Å²	42	36%	0.358	21%	0.211	S	C	.	.			trans	-99.3	102.2	167.9	179.3	0.6	0	0	0	109.8	K212 V336 A337 L338	K212-D334 IonicContact NZ-OD1 4Å; D334-V336 PolarHBondContact O-N 3.28Å; D334-V336 WeakPolarHBondContact OD1-CB 3.45Å; D334-V336 PolarHBondContact OD1-N 3.41Å; D334-A337 HydrophobicContact CB-CB 3.9Å; D334-A337 PolarHBondContact O-N 3.2Å; D334-A337 PolarHBondContact OD1-N 2.87Å; D334-A337 WeakPolarHBondContact OD2-CB 3.33Å; D334-L338 WeakPolarHBondContact O-CB 3.23Å; D334-L338 WeakPolarHBondContact O-CD1 3.19Å; D334-L338 PolarHBondContact O-N 2.87Å
335	E	87.5	Confident	93	Very high	13 Å²	13	45.1 Å²	45.1	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-28.8	-179.4	-67.6	-164.2	175.8	0	0	113	K327 V333 K339 F465	K327-E335 WeakPolarHBondContact CD-OE1 3.5Å; K327-E335 IonicContact NZ-OE1 3.13Å; K327-E335 PolarHBondContact NZ-OE1 3.42Å; V333-E335 HydrophobicContact CG1-CG 4.29Å; E335-K339 WeakPolarHBondContact O-CB 3.5Å; E335-K339 PolarHBondContact O-N 3.19Å; E335-F465 HydrophobicContact CB-CD1 4.18Å
336	V	85.3	Confident	92.9	Very high	46 Å²	46	46.9 Å²	46.9	28%	0.279	25%	0.249	S	C	.	.	H	α-helix	trans	-73.9	-44.6	178.7	-179.2	0	0	0	0	109.8	P182 D334 L338 K339	P182-V336 HydrophobicContact CB-CG1 4.21Å; P182-V336 HydrophobicContact CG-CB 4.42Å; P182-V336 HydrophobicContact CG-CG1 3.87Å; P182-V336 HydrophobicContact CG-CG2 3.61Å; D334-V336 PolarHBondContact O-N 3.28Å; D334-V336 WeakPolarHBondContact OD1-CB 3.45Å; D334-V336 PolarHBondContact OD1-N 3.41Å; V336-L338 VanDerWaalsContact C-N 3.3Å; V336-L338 PolarHBondContact O-N 3.04Å; V336-K339 WeakPolarHBondContact O-CB 3.48Å; V336-K339 PolarHBondContact O-N 3.01Å
337	A	86.2	Confident	92.9	Very high	37 Å²	37	46.5 Å²	46.5	31%	0.306	25%	0.247	S	C	.	.	H	α-helix	trans	-67.8	-30.2	174.4	0	0	0	0	0	112.8	D334 K340	D334-A337 HydrophobicContact CB-CB 3.9Å; D334-A337 PolarHBondContact O-N 3.2Å; D334-A337 PolarHBondContact OD1-N 2.87Å; D334-A337 WeakPolarHBondContact OD2-CB 3.33Å; A337-K340 WeakPolarHBondContact O-CD 3.44Å; A337-K340 WeakPolarHBondContact O-CE 3.26Å; A337-K340 VanDerWaalsContact O-CG 3.31Å; A337-K340 WeakPolarHBondContact O-CG 3.29Å
338	L	90.3	Very high	93	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-37.1	176.1	-87.7	153.2	0	0	0	113	V333 D334 V336 K340 Y341 F342 I530 L534 L538	V333-L338 HydrophobicContact CB-CD1 4.42Å; V333-L338 HydrophobicContact CG1-CD1 3.48Å; V333-L338 VanDerWaalsContact CG1-CD1 3.48Å; D334-L338 WeakPolarHBondContact O-CB 3.23Å; D334-L338 WeakPolarHBondContact O-CD1 3.19Å; D334-L338 PolarHBondContact O-N 2.87Å; V336-L338 VanDerWaalsContact C-N 3.3Å; V336-L338 PolarHBondContact O-N 3.04Å; L338-K340 PolarHBondContact O-N 3.27Å; L338-Y341 WeakPolarHBondContact O-CD2 3.47Å; L338-Y341 PolarHBondContact O-N 3.04Å; L338-F342 HydrophobicContact CD2-CE2 4.47Å; L338-F342 WeakPolarHBondContact O-CD2 3.28Å; L338-I530 HydrophobicContact CD2-CD1 4.36Å; L338-I530 HydrophobicContact CD2-CG2 4.27Å; L338-L534 HydrophobicContact CD1-CD1 4.01Å; L338-L534 HydrophobicContact CD2-CD1 4.01Å; L338-L534 HydrophobicContact CD2-CD2 3.91Å; L338-L534 HydrophobicContact CD2-CG 3.76Å; L338-L534 HydrophobicContact CG-CD1 3.86Å; L338-L534 HydrophobicContact CG-CD2 4.07Å; L338-L534 HydrophobicContact CG-CG 4.09Å; L338-L538 HydrophobicContact CD1-CD1 4.42Å; L338-L538 HydrophobicContact CD2-CB 4.48Å; L338-L538 HydrophobicContact CD2-CD2 4.23Å
339	K	90.6	Very high	93.1	Very high	30 Å²	30	45.7 Å²	45.7	13%	0.13	25%	0.249	C	C	.	.	H	α-helix	trans	-48.2	-38	-178.2	178.9	-179.9	179.7	-165.6	0	112.9	D184 E335 V336 Y341 F342 F463 F465	D184-K339 IonicContact OD2-NZ 3.27Å; E335-K339 WeakPolarHBondContact O-CB 3.5Å; E335-K339 PolarHBondContact O-N 3.19Å; V336-K339 WeakPolarHBondContact O-CB 3.48Å; V336-K339 PolarHBondContact O-N 3.01Å; K339-Y341 PolarHBondContact O-N 3.38Å; K339-Y341 VanDerWaalsContact O-N 3.13Å; K339-F342 PolarHBondContact O-N 3.04Å; K339-F463 HydrophobicContact CD-CB 4.28Å; K339-F463 WeakPolarHBondContact CE-O 3.49Å; K339-F463 HydrophobicContact CG-CB 3.59Å; K339-F465 HydrophobicContact CB-CD1 4.29Å; K339-F465 HydrophobicContact CB-CE1 4.4Å; K339-F465 HydrophobicContact CD-CD1 4.31Å; K339-F465 HydrophobicContact CD-CD2 4.46Å; K339-F465 HydrophobicContact CD-CE1 3.96Å; K339-F465 HydrophobicContact CD-CE2 4.12Å; K339-F465 HydrophobicContact CD-CZ 3.87Å
340	K	91.2	Very high	93.2	Very high	119 Å²	119	39.9 Å²	39.9	52%	0.517	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	180	80	-169	-179	175.3	0	114.6	A337 L338 F342 F463	A337-K340 WeakPolarHBondContact O-CD 3.44Å; A337-K340 WeakPolarHBondContact O-CE 3.26Å; A337-K340 VanDerWaalsContact O-CG 3.31Å; A337-K340 WeakPolarHBondContact O-CG 3.29Å; L338-K340 PolarHBondContact O-N 3.27Å; K340-F342 VanDerWaalsContact C-N 3.29Å; K340-F463 WeakPolarHBondContact O-CE1 3.19Å
341	Y	93.5	Very high	93.3	Very high	52 Å²	52	36.3 Å²	36.3	20%	0.204	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.8	178.2	-59.8	-77.6	0	0	0	113.1	L338 K339 P343 L523 P529 I530 P531 L534	L338-Y341 WeakPolarHBondContact O-CD2 3.47Å; L338-Y341 PolarHBondContact O-N 3.04Å; K339-Y341 PolarHBondContact O-N 3.38Å; K339-Y341 VanDerWaalsContact O-N 3.13Å; Y341-P343 WeakPolarHBondContact O-CD 3.42Å; Y341-L523 WeakPolarHBondContact O-CD2 3.15Å; Y341-P529 WeakPolarHBondContact CD1-O 3.43Å; Y341-I530 HydrophobicContact CD1-CG1 4.19Å; Y341-I530 HydrophobicContact CD2-CG1 4.29Å; Y341-I530 HydrophobicContact CD2-CG2 4.19Å; Y341-I530 HydrophobicContact CE2-CG2 4.21Å; Y341-I530 HydrophobicContact CG-CG1 3.86Å; Y341-I530 HydrophobicContact CG-CG2 4.5Å; Y341-P531 WeakPolarHBondContact OH-CD 2.9Å; Y341-P531 VanDerWaalsContact OH-CG 3.31Å; Y341-P531 WeakPolarHBondContact OH-CG 2.77Å; Y341-L534 HydrophobicContact CD2-CD2 4.27Å; Y341-L534 HydrophobicContact CE2-CD2 3.55Å
342	F	95.7	Very high	93.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.202	C	C	.	.			trans	-120.2	61.8	179.7	-58.1	-74.3	0	0	0	112.1	L338 K339 K340 L344 V347 F463 L464 H466 V469 L519 L523 I530 L538	L338-F342 HydrophobicContact CD2-CE2 4.47Å; L338-F342 WeakPolarHBondContact O-CD2 3.28Å; K339-F342 PolarHBondContact O-N 3.04Å; K340-F342 VanDerWaalsContact C-N 3.29Å; F342-L344 PolarHBondContact O-N 3.04Å; F342-V347 HydrophobicContact CB-CG2 3.86Å; F342-V347 HydrophobicContact CD1-CG2 4.14Å; F342-F463 WeakPolarHBondContact O-CA 3.49Å; F342-L464 HydrophobicContact CB-CB 4.35Å; F342-L464 WeakPolarHBondContact CB-O 3.37Å; F342-L464 PolarHBondContact O-N 2.89Å; F342-H466 HydrophobicContact CE2-CB 4.39Å; F342-H466 AromaticContact CZ-CD2 3.94Å; F342-V469 HydrophobicContact CB-CG2 3.97Å; F342-V469 HydrophobicContact CD1-CG2 3.9Å; F342-V469 HydrophobicContact CG-CG2 3.95Å; F342-L519 HydrophobicContact CE1-CD2 4Å; F342-L519 HydrophobicContact CZ-CD2 4.33Å; F342-L523 HydrophobicContact CD1-CD1 4.38Å; F342-L523 HydrophobicContact CD1-CD2 4.2Å; F342-L523 HydrophobicContact CE1-CD1 4.07Å; F342-I530 HydrophobicContact CE1-CD1 4.48Å; F342-I530 HydrophobicContact CE2-CD1 4.21Å; F342-I530 HydrophobicContact CZ-CD1 3.71Å; F342-L538 HydrophobicContact CZ-CD2 4.29Å
343	P	95.2	Very high	93.6	Very high	37 Å²	37	34.5 Å²	34.5	24%	0.24	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-58.5	130.5	169	-12.7	23.8	0	0	0	110	Y341 A345 T346 V347 C462 F463	Y341-P343 WeakPolarHBondContact O-CD 3.42Å; P343-A345 PolarHBondContact O-N 3.08Å; P343-A345 VanDerWaalsContact O-N 3.17Å; P343-T346 WeakPolarHBondContact O-CA 3.41Å; P343-T346 WeakPolarHBondContact O-CB 3.25Å; P343-T346 PolarHBondContact O-N 3.18Å; P343-V347 PolarHBondContact O-N 3.05Å; P343-C462 CarbonylContact C-O 3.43Å; P343-C462 WeakPolarHBondContact CA-O 3.43Å; P343-F463 HydrophobicContact CB-CD1 4.12Å; P343-F463 HydrophobicContact CB-CE1 4.11Å; P343-F463 HydrophobicContact CG-CD1 4.05Å; P343-F463 HydrophobicContact CG-CE1 3.84Å
344	L	96.1	Very high	93.9	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-53.5	-41.6	-177	172.1	61.8	0	0	0	111.9	F342 T346 V347 K348 L397 C462 L464 F472	F342-L344 PolarHBondContact O-N 3.04Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 2.75Å; L344-V347 PolarHBondContact O-N 3.42Å; L344-K348 WeakPolarHBondContact O-CB 3.43Å; L344-K348 PolarHBondContact O-N 3.45Å; L344-L397 HydrophobicContact CD1-CD1 4.07Å; L344-L397 HydrophobicContact CD2-CD1 4.42Å; L344-C462 HydrophobicContact CB-CB 3.88Å; L344-C462 HydrophobicContact CD2-CB 4.07Å; L344-C462 VanDerWaalsContact CD2-SG 3.58Å; L344-C462 PolarHBondContact N-O 3.22Å; L344-L464 HydrophobicContact CB-CG 4.31Å; L344-L464 HydrophobicContact CD1-CD1 3.8Å; L344-L464 HydrophobicContact CD1-CD2 4.27Å; L344-L464 HydrophobicContact CD1-CG 4.21Å; L344-F472 HydrophobicContact CD1-CE1 4.18Å
345	A	94.8	Very high	94.2	Very high	71 Å²	71	31.8 Å²	31.8	59%	0.587	18%	0.176	S	C	*	.	H	α-helix	trans	-61.2	-39.8	178.1	0	0	0	0	0	112.5	P343 S349	P343-A345 PolarHBondContact O-N 3.08Å; P343-A345 VanDerWaalsContact O-N 3.17Å; A345-S349 VanDerWaalsContact O-CB 3.31Å; A345-S349 WeakPolarHBondContact O-CB 3.45Å; A345-S349 PolarHBondContact O-N 3.1Å
346	T	96	Very high	94.7	Very high	52 Å²	52	33.4 Å²	33.4	32%	0.319	18%	0.184	S	C	.	.	H	α-helix	trans	-71.3	-47.6	177.9	-57	0	0	0	0	110.3	P343 L344 K348 S349 G350 L523	P343-T346 WeakPolarHBondContact O-CA 3.41Å; P343-T346 WeakPolarHBondContact O-CB 3.25Å; P343-T346 PolarHBondContact O-N 3.18Å; L344-T346 VanDerWaalsContact C-N 3.31Å; L344-T346 PolarHBondContact O-N 2.75Å; T346-K348 PolarHBondContact O-N 2.88Å; T346-S349 PolarHBondContact O-N 3.43Å; T346-G350 PolarHBondContact O-N 3.03Å; T346-L523 HydrophobicContact CG2-CD2 3.93Å
347	V	97.6	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-48	177.7	173.9	0	0	0	0	111.1	F342 P343 L344 S349 G350 I351 L464 V469 F472 L522	F342-V347 HydrophobicContact CB-CG2 3.86Å; F342-V347 HydrophobicContact CD1-CG2 4.14Å; P343-V347 PolarHBondContact O-N 3.05Å; L344-V347 PolarHBondContact O-N 3.42Å; V347-S349 PolarHBondContact O-N 3.38Å; V347-G350 PolarHBondContact O-N 3.07Å; V347-I351 HydrophobicContact CG1-CD1 3.81Å; V347-I351 HydrophobicContact CG1-CG1 4.39Å; V347-I351 WeakPolarHBondContact O-CB 3.48Å; V347-I351 WeakPolarHBondContact O-CG1 3.46Å; V347-I351 PolarHBondContact O-N 3.07Å; V347-L464 HydrophobicContact CB-CD1 4.33Å; V347-L464 HydrophobicContact CG1-CD1 4.06Å; V347-V469 HydrophobicContact CG1-CG1 3.84Å; V347-V469 HydrophobicContact CG1-CG2 4.24Å; V347-V469 HydrophobicContact CG2-CG2 4.15Å; V347-F472 HydrophobicContact CG1-CD1 4.08Å; V347-L522 HydrophobicContact CG1-CD1 4.35Å
348	K	97.5	Very high	95.6	Very high	39 Å²	39	34.1 Å²	34.1	17%	0.17	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-51.3	176.5	-177.5	176.9	71.2	176.1	0	110.7	L344 T346 G350 I351 L352 E377 L395 L397 F472	L344-K348 WeakPolarHBondContact O-CB 3.43Å; L344-K348 PolarHBondContact O-N 3.45Å; T346-K348 PolarHBondContact O-N 2.88Å; K348-G350 VanDerWaalsContact C-N 3.3Å; K348-G350 PolarHBondContact O-N 3.27Å; K348-I351 PolarHBondContact O-N 3.33Å; K348-L352 HydrophobicContact CG-CD1 4.21Å; K348-L352 VanDerWaalsContact O-CG 3.23Å; K348-L352 WeakPolarHBondContact O-CG 3.4Å; K348-L352 PolarHBondContact O-N 3.04Å; K348-E377 IonicContact NZ-OE1 2.87Å; K348-E377 PolarHBondContact NZ-OE1 3.2Å; K348-E377 IonicContact NZ-OE2 3.11Å; K348-E377 PolarHBondContact NZ-OE2 3.4Å; K348-L395 HydrophobicContact CD-CD1 4Å; K348-L395 HydrophobicContact CG-CD1 4.29Å; K348-L397 HydrophobicContact CD-CD1 4.47Å; K348-F472 HydrophobicContact CB-CE1 4.14Å; K348-F472 HydrophobicContact CB-CZ 4.48Å; K348-F472 HydrophobicContact CG-CE1 4.48Å; K348-F472 HydrophobicContact CG-CZ 4.33Å
349	S	97.5	Very high	95.9	Very high	52 Å²	52	34 Å²	34	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-59.8	-41.8	178.9	-170.9	0	0	0	0	111.9	A345 T346 V347 L352 R353	A345-S349 VanDerWaalsContact O-CB 3.31Å; A345-S349 WeakPolarHBondContact O-CB 3.45Å; A345-S349 PolarHBondContact O-N 3.1Å; T346-S349 PolarHBondContact O-N 3.43Å; V347-S349 PolarHBondContact O-N 3.38Å; S349-L352 PolarHBondContact O-N 2.93Å; S349-R353 WeakPolarHBondContact O-CG 3.16Å; S349-R353 PolarHBondContact O-N 3.34Å; S349-R353 PolarHBondContact OG-NH1 3.43Å
350	G	97.6	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-42.8	178.1	0	0	0	0	0	114.5	T346 V347 K348 L352 R353 L354 L522	T346-G350 PolarHBondContact O-N 3.03Å; V347-G350 PolarHBondContact O-N 3.07Å; K348-G350 VanDerWaalsContact C-N 3.3Å; K348-G350 PolarHBondContact O-N 3.27Å; G350-L352 VanDerWaalsContact C-N 3.34Å; G350-R353 PolarHBondContact O-N 2.95Å; G350-L354 VanDerWaalsContact O-CB 3.32Å; G350-L354 WeakPolarHBondContact O-CB 3.27Å; G350-L354 WeakPolarHBondContact O-CG 3.35Å; G350-L354 PolarHBondContact O-N 3.01Å; G350-L522 VanDerWaalsContact CA-O 3.23Å; G350-L522 WeakPolarHBondContact CA-O 3.2Å
351	I	98	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-49.9	172.2	-75.2	173.2	0	0	0	109.4	V347 K348 R353 L354 Y355 F472 F473 F476 L522	V347-I351 HydrophobicContact CG1-CD1 3.81Å; V347-I351 HydrophobicContact CG1-CG1 4.39Å; V347-I351 WeakPolarHBondContact O-CB 3.48Å; V347-I351 WeakPolarHBondContact O-CG1 3.46Å; V347-I351 PolarHBondContact O-N 3.07Å; K348-I351 PolarHBondContact O-N 3.33Å; I351-R353 VanDerWaalsContact C-N 3.32Å; I351-R353 PolarHBondContact O-N 3.31Å; I351-L354 PolarHBondContact O-N 2.78Å; I351-Y355 HydrophobicContact CG2-CD2 3.79Å; I351-Y355 HydrophobicContact CG2-CE2 3.96Å; I351-Y355 WeakPolarHBondContact O-CD2 3.44Å; I351-Y355 PolarHBondContact O-N 2.97Å; I351-F472 HydrophobicContact CD1-CB 3.67Å; I351-F472 HydrophobicContact CD1-CD1 3.43Å; I351-F472 VanDerWaalsContact CD1-CD1 3.43Å; I351-F472 HydrophobicContact CD1-CD2 3.94Å; I351-F472 HydrophobicContact CD1-CE1 4Å; I351-F472 HydrophobicContact CD1-CE2 4.44Å; I351-F472 HydrophobicContact CD1-CG 3.38Å; I351-F472 HydrophobicContact CD1-CZ 4.47Å; I351-F473 HydrophobicContact CD1-CD2 3.88Å; I351-F473 HydrophobicContact CD1-CE2 3.92Å; I351-F473 HydrophobicContact CG1-CD2 3.94Å; I351-F473 HydrophobicContact CG1-CE2 3.53Å; I351-F473 HydrophobicContact CG1-CZ 3.88Å; I351-F476 HydrophobicContact CG2-CB 4.12Å; I351-F476 HydrophobicContact CG2-CD1 4.06Å; I351-F476 HydrophobicContact CG2-CD2 3.64Å; I351-F476 HydrophobicContact CG2-CE1 4.4Å; I351-F476 HydrophobicContact CG2-CE2 4.03Å; I351-F476 HydrophobicContact CG2-CG 3.66Å; I351-F476 HydrophobicContact CG2-CZ 4.39Å; I351-L522 HydrophobicContact CG1-CD1 3.83Å
352	L	98.2	Very high	96.8	Very high	18 Å²	18	29.4 Å²	29.4	9%	0.094	16%	0.163	C	C	.	.	H	α-helix	trans	-57.5	-44	178	-67	174.8	0	0	0	111.7	K348 S349 G350 Q356 F363 Y379 F393 F476	K348-L352 HydrophobicContact CG-CD1 4.21Å; K348-L352 VanDerWaalsContact O-CG 3.23Å; K348-L352 WeakPolarHBondContact O-CG 3.4Å; K348-L352 PolarHBondContact O-N 3.04Å; S349-L352 PolarHBondContact O-N 2.93Å; G350-L352 VanDerWaalsContact C-N 3.34Å; L352-Q356 WeakPolarHBondContact O-CB 3.35Å; L352-Q356 WeakPolarHBondContact O-CG 3.32Å; L352-Q356 PolarHBondContact O-N 2.73Å; L352-Q356 PolarHBondContact O-NE2 3.24Å; L352-F363 HydrophobicContact CB-CD2 4.06Å; L352-F363 HydrophobicContact CD2-CD2 3.63Å; L352-F363 HydrophobicContact CD2-CE2 4.17Å; L352-F363 HydrophobicContact CG-CD2 4.45Å; L352-F363 WeakPolarHBondContact O-CD2 3.33Å; L352-F363 WeakPolarHBondContact O-CE2 3.46Å; L352-Y379 HydrophobicContact CD1-CD1 4.46Å; L352-Y379 HydrophobicContact CD1-CE1 3.81Å; L352-F393 HydrophobicContact CD2-CE2 4.18Å; L352-F393 HydrophobicContact CD2-CZ 3.66Å; L352-F476 HydrophobicContact CD2-CE2 3.85Å; L352-F476 HydrophobicContact CD2-CZ 3.81Å
353	R	97.3	Very high	96.9	Very high	71 Å²	71	30.3 Å²	30.3	27%	0.268	17%	0.167	S	C	.	.	H	α-helix	trans	-65.7	-46.3	176.9	-72.7	-167.9	-49	-82.1	-7.1	112.6	S349 G350 I351 Y355 Q356 Q357 A521 L522 D524	S349-R353 WeakPolarHBondContact O-CG 3.16Å; S349-R353 PolarHBondContact O-N 3.34Å; S349-R353 PolarHBondContact OG-NH1 3.43Å; G350-R353 PolarHBondContact O-N 2.95Å; I351-R353 VanDerWaalsContact C-N 3.32Å; I351-R353 PolarHBondContact O-N 3.31Å; R353-Y355 PolarHBondContact O-N 3.21Å; R353-Q356 PolarHBondContact O-N 3.49Å; R353-Q357 PolarHBondContact O-N 3.29Å; R353-A521 PolarHBondContact NH2-O 3.11Å; R353-L522 PolarHBondContact NH2-O 3.05Å; R353-D524 IonicContact CZ-OD1 3.69Å; R353-D524 IonicContact NE-OD1 3.71Å; R353-D524 VanDerWaalsContact NH2-CB 3.29Å; R353-D524 IonicContact NH2-OD1 3.94Å
354	L	96.5	Very high	97.1	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.047	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-47.8	-178.2	-86.1	170.5	0	0	0	111.6	G350 I351 Q357 L358 F473 A521 L522 L636	G350-L354 VanDerWaalsContact O-CB 3.32Å; G350-L354 WeakPolarHBondContact O-CB 3.27Å; G350-L354 WeakPolarHBondContact O-CG 3.35Å; G350-L354 PolarHBondContact O-N 3.01Å; I351-L354 PolarHBondContact O-N 2.78Å; L354-Q357 PolarHBondContact O-N 3.27Å; L354-L358 WeakPolarHBondContact O-CB 3.26Å; L354-L358 PolarHBondContact O-N 3.24Å; L354-F473 HydrophobicContact CD1-CE1 4.1Å; L354-F473 HydrophobicContact CD1-CZ 3.69Å; L354-A521 HydrophobicContact CD2-CB 3.6Å; L354-A521 HydrophobicContact CG-CB 4.29Å; L354-L522 HydrophobicContact CD1-CB 3.93Å; L354-L522 HydrophobicContact CD1-CD1 4.33Å; L354-L636 HydrophobicContact CD2-CD2 3.7Å
355	Y	96.6	Very high	97.2	Very high	3 Å²	3	40 Å²	40	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-68.7	-35.6	179.7	-84.2	-84.5	0	0	0	113.1	I351 R353 L359 F473 F476 G477 M480 L509	I351-Y355 HydrophobicContact CG2-CD2 3.79Å; I351-Y355 HydrophobicContact CG2-CE2 3.96Å; I351-Y355 WeakPolarHBondContact O-CD2 3.44Å; I351-Y355 PolarHBondContact O-N 2.97Å; R353-Y355 PolarHBondContact O-N 3.21Å; Y355-L359 HydrophobicContact CD1-CD1 3.82Å; Y355-L359 HydrophobicContact CD1-CG 4.4Å; Y355-L359 WeakPolarHBondContact O-CB 3.46Å; Y355-L359 PolarHBondContact O-N 2.63Å; Y355-F473 HydrophobicContact CE2-CD1 4.08Å; Y355-F473 HydrophobicContact CE2-CE1 4.33Å; Y355-F473 PolarHBondContact OH-O 3.47Å; Y355-F476 AromaticContact CD1-CD1 3.76Å; Y355-F476 HydrophobicContact CD1-CD1 3.76Å; Y355-F476 HydrophobicContact CD1-CE1 4Å; Y355-F476 AromaticContact CD2-CD1 3.24Å; Y355-F476 HydrophobicContact CD2-CD1 3.24Å; Y355-F476 AromaticContact CD2-CE1 3.6Å; Y355-F476 HydrophobicContact CD2-CE1 3.6Å; Y355-F476 HydrophobicContact CD2-CG 4.06Å; Y355-F476 AromaticContact CE1-CD1 3.8Å; Y355-F476 HydrophobicContact CE1-CD1 3.8Å; Y355-F476 HydrophobicContact CE1-CE1 4.49Å; Y355-F476 HydrophobicContact CE2-CB 3.85Å; Y355-F476 AromaticContact CE2-CD1 3.33Å; Y355-F476 HydrophobicContact CE2-CD1 3.33Å; Y355-F476 HydrophobicContact CE2-CE1 4.18Å; Y355-F476 AromaticContact CE2-CG 3.86Å; Y355-F476 HydrophobicContact CE2-CG 3.86Å; Y355-F476 AromaticContact CG-CD1 3.43Å; Y355-F476 HydrophobicContact CG-CD1 3.43Å; Y355-F476 VanDerWaalsContact CG-CD1 3.43Å; Y355-F476 AromaticContact CG-CE1 3.46Å; Y355-F476 HydrophobicContact CG-CE1 3.46Å; Y355-F476 VanDerWaalsContact CG-CE1 3.46Å; Y355-F476 AromaticContact CZ-CD1 3.59Å; Y355-G477 WeakPolarHBondContact OH-CA 3.47Å; Y355-G477 PolarHBondContact OH-N 3.12Å; Y355-G477 VanDerWaalsContact OH-N 3.17Å; Y355-M480 HydrophobicContact CD1-CB 4.36Å; Y355-M480 HydrophobicContact CD1-CG 3.5Å; Y355-M480 VanDerWaalsContact CD1-CG 3.5Å; Y355-M480 HydrophobicContact CE1-CB 4.31Å; Y355-M480 HydrophobicContact CE1-CG 3.77Å; Y355-M480 HydrophobicContact CG-CG 4.23Å; Y355-L509 HydrophobicContact CE1-CD1 3.68Å; Y355-L509 HydrophobicContact CE1-CD2 3.9Å; Y355-L509 HydrophobicContact CE1-CG 4.24Å; Y355-L509 VanDerWaalsContact OH-CB 3.28Å; Y355-L509 WeakPolarHBondContact OH-CB 3.45Å; Y355-L509 WeakPolarHBondContact OH-CD1 3.44Å
356	Q	97.4	Very high	97.3	Very high	48 Å²	48	37.5 Å²	37.5	22%	0.224	18%	0.179	C	C	.	.	H	α-helix	trans	-58.3	-48.7	170.5	-77.6	174.2	100.9	0	0	111.5	L352 R353 G360 L361 F363	L352-Q356 WeakPolarHBondContact O-CB 3.35Å; L352-Q356 WeakPolarHBondContact O-CG 3.32Å; L352-Q356 PolarHBondContact O-N 2.73Å; L352-Q356 PolarHBondContact O-NE2 3.24Å; R353-Q356 PolarHBondContact O-N 3.49Å; Q356-G360 WeakPolarHBondContact O-CA 3.27Å; Q356-G360 PolarHBondContact O-N 3.18Å; Q356-L361 WeakPolarHBondContact CA-O 3.47Å; Q356-L361 WeakPolarHBondContact CB-O 3.2Å; Q356-L361 WeakPolarHBondContact CG-O 3.39Å; Q356-L361 PolarHBondContact O-N 2.98Å; Q356-F363 HydrophobicContact CG-CB 4.21Å; Q356-F363 HydrophobicContact CG-CD1 4.07Å; Q356-F363 HydrophobicContact CG-CD2 3.47Å; Q356-F363 VanDerWaalsContact CG-CD2 3.47Å; Q356-F363 HydrophobicContact CG-CE1 4.28Å; Q356-F363 HydrophobicContact CG-CE2 3.72Å; Q356-F363 HydrophobicContact CG-CG 3.64Å; Q356-F363 HydrophobicContact CG-CZ 4.11Å
357	Q	94.7	Very high	97.2	Very high	88 Å²	88	39.5 Å²	39.5	41%	0.411	19%	0.192	S	C	.	.	H	α-helix	trans	-64.9	-46.2	179	176.6	175.5	-22.1	0	0	112.2	R353 L354 K638	R353-Q357 PolarHBondContact O-N 3.29Å; L354-Q357 PolarHBondContact O-N 3.27Å; Q357-K638 HydrophobicContact CG-CG 4.28Å
358	L	95.3	Very high	96.9	Very high	10 Å²	10	46 Å²	46	5%	0.052	23%	0.227	C	C	.	.	H	α-helix	trans	-66.9	-43.7	-174.4	-175.2	67.3	0	0	0	111.5	L354 L509 W512 F627 G641	L354-L358 WeakPolarHBondContact O-CB 3.26Å; L354-L358 PolarHBondContact O-N 3.24Å; L358-L509 HydrophobicContact CD2-CD2 3.66Å; L358-W512 HydrophobicContact CD1-CH2 4.4Å; L358-W512 HydrophobicContact CD1-CZ2 3.74Å; L358-W512 HydrophobicContact CD2-CH2 4.01Å; L358-W512 HydrophobicContact CD2-CZ2 3.72Å; L358-W512 HydrophobicContact CG-CZ2 4.4Å; L358-F627 HydrophobicContact CD1-CE1 3.61Å; L358-F627 HydrophobicContact CD1-CZ 4.15Å; L358-G641 CarbonylContact O-C 3.6Å; L358-G641 WeakPolarHBondContact O-CA 3.26Å
359	L	97.1	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-101.5	-1.5	-170.8	-55.9	-178.1	0	0	0	113.3	Y355 L361 M480 Y644 R645 L649	Y355-L359 HydrophobicContact CD1-CD1 3.82Å; Y355-L359 HydrophobicContact CD1-CG 4.4Å; Y355-L359 WeakPolarHBondContact O-CB 3.46Å; Y355-L359 PolarHBondContact O-N 2.63Å; L359-L361 HydrophobicContact CB-CD1 3.71Å; L359-L361 HydrophobicContact CB-CG 3.87Å; L359-L361 HydrophobicContact CD1-CD1 4.08Å; L359-M480 HydrophobicContact CD1-CB 3.69Å; L359-M480 HydrophobicContact CD1-CG 3.69Å; L359-M480 HydrophobicContact CD1-SD 4.11Å; L359-Y644 HydrophobicContact CD2-CD1 4.09Å; L359-R645 HydrophobicContact CD2-CB 4.07Å; L359-R645 WeakPolarHBondContact O-CD 3.44Å; L359-R645 PolarHBondContact O-NH1 3.28Å; L359-L649 HydrophobicContact CD1-CD1 4.05Å; L359-L649 HydrophobicContact CD2-CD1 4.04Å
360	G	97.3	Very high	96.5	Very high	14 Å²	14	43.2 Å²	43.2	14%	0.144	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	52.8	-176.6	0	0	0	0	0	111.7	Q356 S384 R645	Q356-G360 WeakPolarHBondContact O-CA 3.27Å; Q356-G360 PolarHBondContact O-N 3.18Å; G360-S384 WeakPolarHBondContact CA-OG 3.18Å; G360-S384 PolarHBondContact O-N 2.92Å; G360-S384 PolarHBondContact O-OG 2.76Å; G360-S384 VanDerWaalsContact O-OG 3.07Å; G360-R645 PolarHBondContact O-NH1 2.66Å; G360-R645 VanDerWaalsContact O-NH1 3.11Å
361	L	98.2	Very high	96.4	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	163.9	-176	-60.3	175.3	0	0	0	111.1	Q356 L359 F363 V381 S382 L390 M480	Q356-L361 WeakPolarHBondContact CA-O 3.47Å; Q356-L361 WeakPolarHBondContact CB-O 3.2Å; Q356-L361 WeakPolarHBondContact CG-O 3.39Å; Q356-L361 PolarHBondContact O-N 2.98Å; L359-L361 HydrophobicContact CB-CD1 3.71Å; L359-L361 HydrophobicContact CB-CG 3.87Å; L359-L361 HydrophobicContact CD1-CD1 4.08Å; L361-F363 HydrophobicContact CB-CD1 4.42Å; L361-F363 HydrophobicContact CB-CE1 3.75Å; L361-F363 HydrophobicContact CB-CZ 4.29Å; L361-F363 HydrophobicContact CD1-CE1 3.85Å; L361-F363 HydrophobicContact CD1-CZ 4.1Å; L361-F363 HydrophobicContact CG-CE1 4.45Å; L361-V381 HydrophobicContact CB-CG1 4.44Å; L361-V381 HydrophobicContact CD1-CG1 4.08Å; L361-V381 HydrophobicContact CD2-CG1 4.14Å; L361-V381 HydrophobicContact CG-CG1 4.46Å; L361-S382 CarbonylContact C-O 3.6Å; L361-S382 WeakPolarHBondContact CA-O 3.2Å; L361-L390 HydrophobicContact CD2-CD1 3.49Å; L361-L390 VanDerWaalsContact CD2-CD1 3.49Å; L361-M480 HydrophobicContact CD1-SD 3.95Å
362	K	98.4	Very high	96.2	Very high	83 Å²	83	45.9 Å²	45.9	36%	0.361	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.2	170.9	-174.3	-176.3	178.3	-158.9	0	109	E364 V381 S382	K362-E364 WeakPolarHBondContact CE-OE1 3.1Å; K362-E364 HydrophobicContact CG-CG 4.44Å; K362-E364 IonicContact NZ-OE1 2.62Å; K362-E364 PolarHBondContact NZ-OE1 2.68Å; K362-E364 IonicContact NZ-OE2 3.89Å; K362-V381 WeakPolarHBondContact O-CA 3.33Å; K362-S382 PolarHBondContact N-O 3.08Å; K362-S382 PolarHBondContact O-N 3.47Å
363	F	98.5	Very high	96.1	Very high	19 Å²	19	46.8 Å²	46.8	8%	0.083	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.6	177.1	-54.9	-26.9	0	0	0	110.6	L352 Q356 L361 S380 V381 F393 F476 M480	L352-F363 HydrophobicContact CB-CD2 4.06Å; L352-F363 HydrophobicContact CD2-CD2 3.63Å; L352-F363 HydrophobicContact CD2-CE2 4.17Å; L352-F363 HydrophobicContact CG-CD2 4.45Å; L352-F363 WeakPolarHBondContact O-CD2 3.33Å; L352-F363 WeakPolarHBondContact O-CE2 3.46Å; Q356-F363 HydrophobicContact CG-CB 4.21Å; Q356-F363 HydrophobicContact CG-CD1 4.07Å; Q356-F363 HydrophobicContact CG-CD2 3.47Å; Q356-F363 VanDerWaalsContact CG-CD2 3.47Å; Q356-F363 HydrophobicContact CG-CE1 4.28Å; Q356-F363 HydrophobicContact CG-CE2 3.72Å; Q356-F363 HydrophobicContact CG-CG 3.64Å; Q356-F363 HydrophobicContact CG-CZ 4.11Å; L361-F363 HydrophobicContact CB-CD1 4.42Å; L361-F363 HydrophobicContact CB-CE1 3.75Å; L361-F363 HydrophobicContact CB-CZ 4.29Å; L361-F363 HydrophobicContact CD1-CE1 3.85Å; L361-F363 HydrophobicContact CD1-CZ 4.1Å; L361-F363 HydrophobicContact CG-CE1 4.45Å; F363-S380 VanDerWaalsContact CA-O 3.3Å; F363-S380 WeakPolarHBondContact CA-O 3.5Å; F363-V381 HydrophobicContact CD1-CB 4.21Å; F363-V381 HydrophobicContact CD1-CG1 3.96Å; F363-V381 HydrophobicContact CD1-CG2 3.75Å; F363-V381 HydrophobicContact CE1-CB 4.31Å; F363-V381 HydrophobicContact CE1-CG1 3.67Å; F363-V381 HydrophobicContact CE1-CG2 3.87Å; F363-F393 HydrophobicContact CD1-CE1 4.21Å; F363-F393 HydrophobicContact CD2-CZ 4.46Å; F363-F393 HydrophobicContact CE1-CE1 4.48Å; F363-F393 HydrophobicContact CG-CE1 4.25Å; F363-F393 HydrophobicContact CG-CZ 4.47Å; F363-F476 HydrophobicContact CD2-CZ 4.42Å; F363-F476 AromaticContact CE2-CE1 3.93Å; F363-F476 HydrophobicContact CE2-CE1 3.93Å; F363-F476 AromaticContact CE2-CZ 3.72Å; F363-F476 HydrophobicContact CE2-CZ 3.72Å; F363-F476 HydrophobicContact CZ-CE1 4.14Å; F363-F476 HydrophobicContact CZ-CZ 4.2Å; F363-M480 HydrophobicContact CE1-SD 4.17Å; F363-M480 HydrophobicContact CZ-CE 4.22Å; F363-M480 HydrophobicContact CZ-SD 3.67Å
364	E	98.1	Very high	95.9	Very high	96 Å²	96	51.9 Å²	51.9	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.1	175.8	-61.3	-178.1	142	0	0	110.4	K362 V366 Y379 S380	K362-E364 WeakPolarHBondContact CE-OE1 3.1Å; K362-E364 HydrophobicContact CG-CG 4.44Å; K362-E364 IonicContact NZ-OE1 2.62Å; K362-E364 PolarHBondContact NZ-OE1 2.68Å; K362-E364 IonicContact NZ-OE2 3.89Å; E364-V366 PolarHBondContact O-N 3.41Å; E364-Y379 CarbonylContact O-C 3.55Å; E364-Y379 WeakPolarHBondContact O-CA 3.35Å; E364-S380 PolarHBondContact N-O 3.26Å; E364-S380 PolarHBondContact O-N 3.03Å; E364-S380 PolarHBondContact O-OG 3.5Å
365	R	97.8	Very high	95.8	Very high	161 Å²	161	55.4 Å²	55.4	61%	0.608	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.3	176.2	-171.7	179.4	-178.4	-165.1	3.7	109.4	P367 E377 Y379	R365-P367 WeakPolarHBondContact O-CD 3.44Å; R365-E377 IonicContact NH2-OE1 2.69Å; R365-Y379 HydrophobicContact CB-CD1 4.09Å; R365-Y379 HydrophobicContact CB-CE1 3.86Å; R365-Y379 HydrophobicContact CG-CE1 4.29Å
366	V	97.3	Very high	95.8	Very high	18 Å²	18	55.7 Å²	55.7	11%	0.109	27%	0.273	C	S	.	.			trans	-86.1	112.4	175.4	-177	0	0	0	0	108.9	F2 A4 E364 A369 M378 Y392	F2-V366 HydrophobicContact CD1-CG1 4.25Å; F2-V366 HydrophobicContact CE1-CG1 4.45Å; A4-V366 HydrophobicContact CB-CG1 4.45Å; E364-V366 PolarHBondContact O-N 3.41Å; V366-A369 HydrophobicContact CB-CB 4.27Å; V366-A369 HydrophobicContact CG1-CB 4.06Å; V366-M378 HydrophobicContact CB-CB 4.27Å; V366-M378 HydrophobicContact CB-CG 4.29Å; V366-M378 HydrophobicContact CB-SD 4.44Å; V366-M378 HydrophobicContact CG2-CG 4.22Å; V366-M378 PolarHBondContact N-O 2.89Å; V366-Y392 HydrophobicContact CG2-CD1 4.06Å; V366-Y392 HydrophobicContact CG2-CE1 4.09Å
367	P	94.7	Very high	95.8	Very high	93 Å²	93	55 Å²	55	60%	0.604	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	143.9	179.3	29.8	-34.4	0	0	0	111.1	R365 A369	R365-P367 WeakPolarHBondContact O-CD 3.44Å; P367-A369 PolarHBondContact O-N 3.46Å; P367-A369 VanDerWaalsContact O-N 3.11Å
368	N	91	Very high	96	Very high	138 Å²	138	51 Å²	51	74%	0.738	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	24.6	175.7	-51.9	-53.9	0	0	0	115.1	M1 F2	M1-N368 CarbonylContact C-O 3.48Å; M1-N368 WeakPolarHBondContact CA-O 3.45Å; F2-N368 PolarHBondContact N-O 3.19Å
369	A	93.5	Very high	96.2	Very high	12 Å²	12	51.4 Å²	51.4	10%	0.099	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-55.9	147.1	178.3	0	0	0	0	0	112.2	V366 P367 V371 M378	V366-A369 HydrophobicContact CB-CB 4.27Å; V366-A369 HydrophobicContact CG1-CB 4.06Å; P367-A369 PolarHBondContact O-N 3.46Å; P367-A369 VanDerWaalsContact O-N 3.11Å; A369-V371 HydrophobicContact CB-CG1 4.4Å; A369-V371 PolarHBondContact O-N 2.8Å; A369-M378 HydrophobicContact CB-CB 3.57Å; A369-M378 HydrophobicContact CB-CG 4.23Å; A369-M378 HydrophobicContact CB-SD 3.67Å
370	E	93.2	Very high	96.2	Very high	19 Å²	19	52 Å²	52	9%	0.089	26%	0.257	C	S	.	.			trans	-68.2	119.8	168.1	-168.5	179.4	155.4	0	0	110.3	M1 F2 V3 W11 S12 Y394	M1-E370 HydrophobicContact CB-CB 4.14Å; M1-E370 HydrophobicContact CB-CG 4.37Å; M1-E370 HydrophobicContact SD-CB 4.4Å; M1-E370 HydrophobicContact SD-CG 3.85Å; F2-E370 PolarHBondContact O-N 3.3Å; F2-E370 VanDerWaalsContact O-N 3.17Å; V3-E370 WeakPolarHBondContact CG2-OE2 3.44Å; W11-E370 HydrophobicContact CB-CG 4.37Å; W11-E370 PolarHBondContact N-OE1 3.15Å; S12-E370 PolarHBondContact N-OE1 2.96Å; S12-E370 PolarHBondContact OG-OE1 3.5Å; E370-Y394 WeakPolarHBondContact O-CE1 3.41Å; E370-Y394 PolarHBondContact O-OH 3.28Å
371	V	95.2	Very high	96.3	Very high	32 Å²	32	51.4 Å²	51.4	19%	0.194	25%	0.25	C	S	.	.			trans	-140.7	154.7	-176.7	-67.2	0	0	0	0	110.6	A369 H373 V376 Y394	A369-V371 HydrophobicContact CB-CG1 4.4Å; A369-V371 PolarHBondContact O-N 2.8Å; V371-H373 WeakPolarHBondContact CG2-O 3.41Å; V371-V376 HydrophobicContact CB-CB 3.95Å; V371-V376 HydrophobicContact CB-CG1 4.02Å; V371-V376 HydrophobicContact CG1-CB 4.1Å; V371-V376 HydrophobicContact CG1-CG1 3.78Å; V371-Y394 HydrophobicContact CG1-CD1 4.03Å; V371-Y394 HydrophobicContact CG1-CE1 3.88Å
372	W	94.7	Very high	96.3	Very high	24 Å²	24	51.9 Å²	51.9	9%	0.091	25%	0.254	C	S	.	.	S	Bend	trans	-82.9	-11.2	-179.4	55.6	87.7	0	0	0	114.6	W11 F67 I71 V376 Y394 D396 A447	W11-W372 AromaticContact CD2-CE3 3.93Å; W11-W372 HydrophobicContact CD2-CE3 3.93Å; W11-W372 HydrophobicContact CD2-CZ3 4.37Å; W11-W372 AromaticContact CE2-CE3 3.75Å; W11-W372 AromaticContact CE2-CZ3 3.73Å; W11-W372 HydrophobicContact CE3-CE3 4.42Å; W11-W372 HydrophobicContact CG-CE3 4.26Å; W11-W372 HydrophobicContact CH2-CZ3 4.33Å; W11-W372 HydrophobicContact CZ2-CE3 4.08Å; W11-W372 AromaticContact CZ2-CZ3 3.69Å; W11-W372 HydrophobicContact CZ2-CZ3 3.69Å; W11-W372 AromaticContact NE1-CE3 3.98Å; W11-W372 AromaticContact NE1-CZ3 3.97Å; F67-W372 HydrophobicContact CE1-CD2 4.35Å; F67-W372 HydrophobicContact CE1-CE3 4.15Å; F67-W372 AromaticContact CE1-CH2 3.52Å; F67-W372 HydrophobicContact CE1-CH2 3.52Å; F67-W372 AromaticContact CE1-CZ2 3.7Å; F67-W372 HydrophobicContact CE1-CZ2 3.7Å; F67-W372 AromaticContact CE1-CZ3 3.76Å; F67-W372 HydrophobicContact CE1-CZ3 3.76Å; F67-W372 HydrophobicContact CZ-CH2 4.06Å; F67-W372 AromaticContact CZ-CZ2 3.98Å; F67-W372 HydrophobicContact CZ-CZ2 3.98Å; I71-W372 HydrophobicContact CB-CG 4.41Å; I71-W372 HydrophobicContact CD1-CB 3.57Å; I71-W372 VanDerWaalsContact CD1-CD1 3.42Å; I71-W372 HydrophobicContact CD1-CD2 3.78Å; I71-W372 HydrophobicContact CD1-CG 3.29Å; I71-W372 HydrophobicContact CG1-CD2 3.94Å; I71-W372 HydrophobicContact CG1-CG 3.88Å; W372-V376 HydrophobicContact CD2-CG2 4.4Å; W372-V376 HydrophobicContact CH2-CG1 4.03Å; W372-V376 HydrophobicContact CZ2-CG1 3.86Å; W372-V376 HydrophobicContact CZ2-CG2 4.12Å; W372-V376 HydrophobicContact CZ3-CG1 4.44Å; W372-Y394 HydrophobicContact CH2-CD1 4.14Å; W372-Y394 HydrophobicContact CH2-CD2 4.16Å; W372-Y394 AromaticContact CH2-CG 3.7Å; W372-Y394 HydrophobicContact CH2-CG 3.7Å; W372-Y394 AromaticContact CZ3-CD1 3.97Å; W372-Y394 HydrophobicContact CZ3-CD1 3.97Å; W372-Y394 HydrophobicContact CZ3-CD2 4.08Å; W372-Y394 HydrophobicContact CZ3-CE1 4.33Å; W372-Y394 HydrophobicContact CZ3-CE2 4.43Å; W372-Y394 AromaticContact CZ3-CG 3.83Å; W372-Y394 HydrophobicContact CZ3-CG 3.83Å; W372-D396 HydrophobicContact CZ2-CB 3.95Å; W372-D396 PolarHBondContact NE1-OD2 2.93Å; W372-A447 HydrophobicContact CH2-CB 3.8Å; W372-A447 HydrophobicContact CZ2-CB 4.41Å
373	H	95	Very high	96.2	Very high	38 Å²	38	48.3 Å²	48.3	18%	0.176	24%	0.239	C	C	.	.	S	Bend	trans	-154.4	149.1	179.6	-172.2	-91.7	0	0	0	110.5	V371 E375 V376 R400	V371-H373 WeakPolarHBondContact CG2-O 3.41Å; H373-E375 VanDerWaalsContact C-N 3.28Å; H373-E375 PolarHBondContact ND1-N 3.37Å; H373-E375 PolarHBondContact O-N 3.18Å; H373-V376 HydrophobicContact CB-CG2 3.88Å; H373-V376 WeakPolarHBondContact O-CB 3.44Å; H373-V376 PolarHBondContact O-N 3.07Å; H373-R400 VanDerWaalsContact NE2-CD 3.26Å; H373-R400 WeakPolarHBondContact NE2-CD 3.49Å
374	E	93.9	Very high	96.1	Very high	178 Å²	178	50.1 Å²	50.1	83%	0.832	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.4	-173.1	63.2	-178	-171.8	0	0	114.7	V376	E374-V376 VanDerWaalsContact C-N 3.28Å; E374-V376 PolarHBondContact O-N 3.26Å
375	E	94.3	Very high	96	Very high	83 Å²	83	52.6 Å²	52.6	39%	0.388	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.9	175.9	-65.7	-172.4	169.7	0	0	113.9	H373 H398 R400	H373-E375 VanDerWaalsContact C-N 3.28Å; H373-E375 PolarHBondContact ND1-N 3.37Å; H373-E375 PolarHBondContact O-N 3.18Å; E375-H398 IonicContact OE1-ND1 3.22Å; E375-H398 IonicContact OE2-CE1 2.72Å; E375-H398 IonicContact OE2-CG 2.92Å; E375-H398 IonicContact OE2-ND1 3.85Å; E375-H398 PolarHBondContact OE2-ND1 3Å; E375-R400 IonicContact OE2-NH1 3.71Å
376	V	97.2	Very high	95.8	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	26%	0.261	C	S	.	.			trans	-81.4	132.6	-176.3	177.1	0	0	0	0	109.4	V371 W372 H373 E374 Y394 L395 D396	V371-V376 HydrophobicContact CB-CB 3.95Å; V371-V376 HydrophobicContact CB-CG1 4.02Å; V371-V376 HydrophobicContact CG1-CB 4.1Å; V371-V376 HydrophobicContact CG1-CG1 3.78Å; W372-V376 HydrophobicContact CD2-CG2 4.4Å; W372-V376 HydrophobicContact CH2-CG1 4.03Å; W372-V376 HydrophobicContact CZ2-CG1 3.86Å; W372-V376 HydrophobicContact CZ2-CG2 4.12Å; W372-V376 HydrophobicContact CZ3-CG1 4.44Å; H373-V376 HydrophobicContact CB-CG2 3.88Å; H373-V376 WeakPolarHBondContact O-CB 3.44Å; H373-V376 PolarHBondContact O-N 3.07Å; E374-V376 VanDerWaalsContact C-N 3.28Å; E374-V376 PolarHBondContact O-N 3.26Å; V376-Y394 HydrophobicContact CG1-CD1 3.94Å; V376-Y394 HydrophobicContact CG1-CG 4.49Å; V376-L395 WeakPolarHBondContact CA-O 3.38Å; V376-D396 HydrophobicContact CG2-CB 3.89Å
377	E	97.5	Very high	95.7	Very high	34 Å²	34	52.9 Å²	52.9	16%	0.159	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.9	178.3	-63.5	177	164.2	0	0	110.4	K348 R365 Y379 Y394 L395	K348-E377 IonicContact NZ-OE1 2.87Å; K348-E377 PolarHBondContact NZ-OE1 3.2Å; K348-E377 IonicContact NZ-OE2 3.11Å; K348-E377 PolarHBondContact NZ-OE2 3.4Å; R365-E377 IonicContact NH2-OE1 2.69Å; E377-Y379 HydrophobicContact CB-CD2 4.42Å; E377-Y379 HydrophobicContact CB-CE2 3.66Å; E377-Y379 WeakPolarHBondContact OE2-CE2 3.44Å; E377-Y379 PolarHBondContact OE2-OH 2.84Å; E377-Y394 CarbonylContact O-C 3.6Å; E377-Y394 VanDerWaalsContact O-CA 3.23Å; E377-Y394 WeakPolarHBondContact O-CA 3.37Å; E377-L395 PolarHBondContact N-O 2.99Å; E377-L395 PolarHBondContact O-N 3.32Å
378	M	98.2	Very high	95.7	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.02	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.2	172.8	-171.6	-179.9	-173.3	0	0	110.6	A4 V366 A369 Y392 F393 Y394	A4-M378 HydrophobicContact CB-CE 3.75Å; A4-M378 HydrophobicContact CB-SD 4.31Å; V366-M378 HydrophobicContact CB-CB 4.27Å; V366-M378 HydrophobicContact CB-CG 4.29Å; V366-M378 HydrophobicContact CB-SD 4.44Å; V366-M378 HydrophobicContact CG2-CG 4.22Å; V366-M378 PolarHBondContact N-O 2.89Å; A369-M378 HydrophobicContact CB-CB 3.57Å; A369-M378 HydrophobicContact CB-CG 4.23Å; A369-M378 HydrophobicContact CB-SD 3.67Å; M378-Y392 VanDerWaalsContact CE-CB 3.43Å; M378-Y392 HydrophobicContact CE-CD1 3.61Å; M378-Y392 HydrophobicContact CE-CD2 4.02Å; M378-Y392 HydrophobicContact CE-CE1 4.35Å; M378-Y392 HydrophobicContact CE-CG 3.42Å; M378-Y392 VanDerWaalsContact CE-CG 3.42Å; M378-F393 CarbonylContact C-O 3.57Å; M378-F393 WeakPolarHBondContact CA-O 3.17Å; M378-Y394 HydrophobicContact CB-CD1 3.84Å; M378-Y394 HydrophobicContact CB-CE1 3.76Å; M378-Y394 HydrophobicContact CE-CE2 4.44Å; M378-Y394 HydrophobicContact CG-CD1 4.06Å; M378-Y394 HydrophobicContact CG-CE1 3.75Å; M378-Y394 HydrophobicContact SD-CE1 3.72Å
379	Y	98.7	Very high	95.9	Very high	18 Å²	18	47.3 Å²	47.3	7%	0.071	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.2	176.8	-66.3	-100.2	0	0	0	110.4	L352 E364 R365 E377 Y392 F393 L395	L352-Y379 HydrophobicContact CD1-CD1 4.46Å; L352-Y379 HydrophobicContact CD1-CE1 3.81Å; E364-Y379 CarbonylContact O-C 3.55Å; E364-Y379 WeakPolarHBondContact O-CA 3.35Å; R365-Y379 HydrophobicContact CB-CD1 4.09Å; R365-Y379 HydrophobicContact CB-CE1 3.86Å; R365-Y379 HydrophobicContact CG-CE1 4.29Å; E377-Y379 HydrophobicContact CB-CD2 4.42Å; E377-Y379 HydrophobicContact CB-CE2 3.66Å; E377-Y379 WeakPolarHBondContact OE2-CE2 3.44Å; E377-Y379 PolarHBondContact OE2-OH 2.84Å; Y379-Y392 CarbonylContact O-C 3.54Å; Y379-Y392 WeakPolarHBondContact O-CA 3.4Å; Y379-Y392 WeakPolarHBondContact O-CB 3.21Å; Y379-F393 HydrophobicContact CD1-CZ 4.33Å; Y379-F393 HydrophobicContact CD2-CD2 4.08Å; Y379-F393 AromaticContact CD2-CE2 3.42Å; Y379-F393 HydrophobicContact CD2-CE2 3.42Å; Y379-F393 VanDerWaalsContact CD2-CE2 3.42Å; Y379-F393 AromaticContact CD2-CZ 3.92Å; Y379-F393 HydrophobicContact CD2-CZ 3.92Å; Y379-F393 HydrophobicContact CE2-CE2 4.28Å; Y379-F393 HydrophobicContact CG-CD2 4.43Å; Y379-F393 HydrophobicContact CG-CE1 4.4Å; Y379-F393 AromaticContact CG-CE2 3.63Å; Y379-F393 HydrophobicContact CG-CE2 3.63Å; Y379-F393 AromaticContact CG-CZ 3.61Å; Y379-F393 HydrophobicContact CG-CZ 3.61Å; Y379-F393 PolarHBondContact N-O 3.5Å; Y379-F393 PolarHBondContact O-N 2.96Å; Y379-L395 HydrophobicContact CD2-CD1 4.27Å; Y379-L395 HydrophobicContact CD2-CG 4.35Å; Y379-L395 HydrophobicContact CE2-CD1 3.74Å; Y379-L395 HydrophobicContact CE2-CG 4.18Å
380	S	98.4	Very high	96	Very high	14 Å²	14	48.5 Å²	48.5	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	153	166.1	61.9	0	0	0	0	110.6	F363 E364	F363-S380 VanDerWaalsContact CA-O 3.3Å; F363-S380 WeakPolarHBondContact CA-O 3.5Å; E364-S380 PolarHBondContact N-O 3.26Å; E364-S380 PolarHBondContact O-N 3.03Å; E364-S380 PolarHBondContact O-OG 3.5Å
381	V	98.5	Very high	96.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.2	176.4	-178.1	0	0	0	0	109.4	L361 K362 F363 L390 G391 F393 V483	L361-V381 HydrophobicContact CB-CG1 4.44Å; L361-V381 HydrophobicContact CD1-CG1 4.08Å; L361-V381 HydrophobicContact CD2-CG1 4.14Å; L361-V381 HydrophobicContact CG-CG1 4.46Å; K362-V381 WeakPolarHBondContact O-CA 3.33Å; F363-V381 HydrophobicContact CD1-CB 4.21Å; F363-V381 HydrophobicContact CD1-CG1 3.96Å; F363-V381 HydrophobicContact CD1-CG2 3.75Å; F363-V381 HydrophobicContact CE1-CB 4.31Å; F363-V381 HydrophobicContact CE1-CG1 3.67Å; F363-V381 HydrophobicContact CE1-CG2 3.87Å; V381-L390 HydrophobicContact CG1-CB 4.45Å; V381-L390 HydrophobicContact CG1-CD1 4.4Å; V381-L390 PolarHBondContact O-N 3.09Å; V381-G391 PolarHBondContact N-O 3.25Å; V381-G391 PolarHBondContact O-N 3.33Å; V381-F393 HydrophobicContact CG2-CD1 3.46Å; V381-F393 VanDerWaalsContact CG2-CD1 3.46Å; V381-F393 HydrophobicContact CG2-CE1 3.54Å; V381-V483 HydrophobicContact CB-CG1 3.85Å; V381-V483 HydrophobicContact CG1-CG1 3.76Å; V381-V483 HydrophobicContact CG2-CG1 4.05Å
382	S	98.1	Very high	96.4	Very high	17 Å²	17	46.6 Å²	46.6	12%	0.119	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.7	174.5	-59.1	0	0	0	0	111.1	L361 K362 S388	L361-S382 CarbonylContact C-O 3.6Å; L361-S382 WeakPolarHBondContact CA-O 3.2Å; K362-S382 PolarHBondContact N-O 3.08Å; K362-S382 PolarHBondContact O-N 3.47Å; S382-S388 CarbonylContact C-O 3.34Å; S382-S388 VanDerWaalsContact CA-O 3.25Å; S382-S388 WeakPolarHBondContact CA-O 3.41Å
383	D	97.2	Very high	96.6	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	135	168.8	-174.7	-83.2	0	0	0	110.2	E385 S386 N387 S388 L390 R642 R645	D383-E385 VanDerWaalsContact C-N 3.3Å; D383-E385 PolarHBondContact O-N 2.65Å; D383-E385 WeakPolarHBondContact OD1-CA 3.36Å; D383-E385 WeakPolarHBondContact OD1-CB 3.34Å; D383-E385 PolarHBondContact OD1-N 2.9Å; D383-S386 WeakPolarHBondContact CB-OG 3.32Å; D383-S386 PolarHBondContact OD1-N 3.43Å; D383-S386 PolarHBondContact OD1-OG 3.03Å; D383-N387 WeakPolarHBondContact O-CA 3.47Å; D383-N387 PolarHBondContact O-N 2.94Å; D383-S388 PolarHBondContact N-O 3.43Å; D383-L390 HydrophobicContact CB-CD1 4.41Å; D383-R642 IonicContact OD2-NH1 3.27Å; D383-R645 IonicContact OD2-CZ 3.59Å; D383-R645 VanDerWaalsContact OD2-CZ 3.26Å; D383-R645 IonicContact OD2-NH1 3.26Å; D383-R645 PolarHBondContact OD2-NH1 3.17Å; D383-R645 IonicContact OD2-NH2 3.68Å; D383-R645 PolarHBondContact OD2-NH2 2.64Å
384	S	96.6	Very high	96.8	Very high	57 Å²	57	43.8 Å²	43.8	40%	0.399	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.9	-174.6	60.4	0	0	0	0	114.1	G360	G360-S384 WeakPolarHBondContact CA-OG 3.18Å; G360-S384 PolarHBondContact O-N 2.92Å; G360-S384 PolarHBondContact O-OG 2.76Å; G360-S384 VanDerWaalsContact O-OG 3.07Å
385	E	94.9	Very high	97	Very high	148 Å²	148	35.4 Å²	35.4	69%	0.692	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-50.9	-177.1	-64.2	177.6	-177.5	0	0	110.9	D383	D383-E385 VanDerWaalsContact C-N 3.3Å; D383-E385 PolarHBondContact O-N 2.65Å; D383-E385 WeakPolarHBondContact OD1-CA 3.36Å; D383-E385 WeakPolarHBondContact OD1-CB 3.34Å; D383-E385 PolarHBondContact OD1-N 2.9Å
386	S	94.7	Very high	97.2	Very high	73 Å²	73	31.4 Å²	31.4	51%	0.51	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.9	-178.1	71.4	0	0	0	0	113.4	D383 S388	D383-S386 WeakPolarHBondContact CB-OG 3.32Å; D383-S386 PolarHBondContact OD1-N 3.43Å; D383-S386 PolarHBondContact OD1-OG 3.03Å; S386-S388 PolarHBondContact O-N 3.31Å; S386-S388 VanDerWaalsContact O-N 3.15Å; S386-S388 VanDerWaalsContact OG-CB 3.31Å; S386-S388 WeakPolarHBondContact OG-CB 3.48Å; S386-S388 PolarHBondContact OG-N 3.08Å; S386-S388 VanDerWaalsContact OG-N 3.11Å; S386-S388 PolarHBondContact OG-OG 3.46Å
387	N	94.9	Very high	97.1	Very high	111 Å²	111	31.6 Å²	31.6	59%	0.594	18%	0.177	S	C	*	.			trans	58	13	-167.6	-62.6	-78.8	0	0	0	114.2	D383 L389	D383-N387 WeakPolarHBondContact O-CA 3.47Å; D383-N387 PolarHBondContact O-N 2.94Å; N387-L389 PolarHBondContact O-N 3.19Å
388	S	93.7	Very high	96.9	Very high	52 Å²	52	31 Å²	31	36%	0.364	17%	0.174	S	C	.	.			trans	-68.2	126.4	178.6	64.5	0	0	0	0	110.4	S382 D383 S386 L390	S382-S388 CarbonylContact C-O 3.34Å; S382-S388 VanDerWaalsContact CA-O 3.25Å; S382-S388 WeakPolarHBondContact CA-O 3.41Å; D383-S388 PolarHBondContact N-O 3.43Å; S386-S388 PolarHBondContact O-N 3.31Å; S386-S388 VanDerWaalsContact O-N 3.15Å; S386-S388 VanDerWaalsContact OG-CB 3.31Å; S386-S388 WeakPolarHBondContact OG-CB 3.48Å; S386-S388 PolarHBondContact OG-N 3.08Å; S386-S388 VanDerWaalsContact OG-N 3.11Å; S386-S388 PolarHBondContact OG-OG 3.46Å; S388-L390 PolarHBondContact O-N 2.91Å
389	L	96	Very high	96.6	Very high	63 Å²	63	32.3 Å²	32.3	33%	0.33	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	122.9	170.9	-178.2	66.7	0	0	0	109.4	N387 Y392 L443	N387-L389 PolarHBondContact O-N 3.19Å; L389-Y392 HydrophobicContact CD1-CE1 4.48Å; L389-Y392 HydrophobicContact CD2-CE2 4.27Å; L389-Y392 WeakPolarHBondContact CD2-OH 3.35Å; L389-L443 HydrophobicContact CD2-CD1 3.52Å; L389-L443 HydrophobicContact CD2-CD2 4.4Å; L389-L443 HydrophobicContact CG-CD1 4.01Å; L389-L443 HydrophobicContact CG-CD2 4.11Å; L389-L443 WeakPolarHBondContact O-CD2 3.29Å
390	L	95.9	Very high	96.2	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.188	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-32.5	-179.3	-55.4	-177.8	0	0	0	111.8	L361 V381 D383 S388 A444 V483	L361-L390 HydrophobicContact CD2-CD1 3.49Å; L361-L390 VanDerWaalsContact CD2-CD1 3.49Å; V381-L390 HydrophobicContact CG1-CB 4.45Å; V381-L390 HydrophobicContact CG1-CD1 4.4Å; V381-L390 PolarHBondContact O-N 3.09Å; D383-L390 HydrophobicContact CB-CD1 4.41Å; S388-L390 PolarHBondContact O-N 2.91Å; L390-A444 PolarHBondContact O-N 3.13Å; L390-A444 VanDerWaalsContact O-N 3.13Å; L390-V483 HydrophobicContact CB-CG1 4.35Å
391	G	97.5	Very high	95.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	-168.5	-170.8	0	0	0	0	0	115.3	V381 A444	V381-G391 PolarHBondContact N-O 3.25Å; V381-G391 PolarHBondContact O-N 3.33Å; G391-A444 CarbonylContact C-O 3.58Å; G391-A444 WeakPolarHBondContact CA-O 3.19Å
392	Y	98.5	Very high	95.4	Very high	11 Å²	11	40.5 Å²	40.5	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	161.3	174.8	-57.5	-87.2	0	0	0	110.9	A4 P5 V366 M378 Y379 L389 L443 A444 I445 A446	A4-Y392 HydrophobicContact CB-CD1 4.29Å; A4-Y392 HydrophobicContact CB-CE1 3.7Å; A4-Y392 HydrophobicContact CB-CE2 4.12Å; P5-Y392 VanDerWaalsContact O-CE2 3.26Å; P5-Y392 WeakPolarHBondContact O-CE2 3.25Å; P5-Y392 PolarHBondContact O-OH 3.06Å; V366-Y392 HydrophobicContact CG2-CD1 4.06Å; V366-Y392 HydrophobicContact CG2-CE1 4.09Å; M378-Y392 VanDerWaalsContact CE-CB 3.43Å; M378-Y392 HydrophobicContact CE-CD1 3.61Å; M378-Y392 HydrophobicContact CE-CD2 4.02Å; M378-Y392 HydrophobicContact CE-CE1 4.35Å; M378-Y392 HydrophobicContact CE-CG 3.42Å; M378-Y392 VanDerWaalsContact CE-CG 3.42Å; Y379-Y392 CarbonylContact O-C 3.54Å; Y379-Y392 WeakPolarHBondContact O-CA 3.4Å; Y379-Y392 WeakPolarHBondContact O-CB 3.21Å; L389-Y392 HydrophobicContact CD1-CE1 4.48Å; L389-Y392 HydrophobicContact CD2-CE2 4.27Å; L389-Y392 WeakPolarHBondContact CD2-OH 3.35Å; Y392-L443 HydrophobicContact CD2-CD1 4.39Å; Y392-L443 HydrophobicContact CE2-CD1 3.67Å; Y392-A444 PolarHBondContact N-O 3.37Å; Y392-I445 HydrophobicContact CD2-CD1 4.02Å; Y392-I445 HydrophobicContact CD2-CG1 4.12Å; Y392-I445 VanDerWaalsContact O-CA 3.31Å; Y392-I445 WeakPolarHBondContact O-CA 3.45Å; Y392-A446 PolarHBondContact O-N 2.91Å
393	F	98.7	Very high	95.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.7	166.3	62.5	-96.2	0	0	0	112.9	L352 F363 M378 Y379 V381 L395 A446 F476 L479 M480	L352-F393 HydrophobicContact CD2-CE2 4.18Å; L352-F393 HydrophobicContact CD2-CZ 3.66Å; F363-F393 HydrophobicContact CD1-CE1 4.21Å; F363-F393 HydrophobicContact CD2-CZ 4.46Å; F363-F393 HydrophobicContact CE1-CE1 4.48Å; F363-F393 HydrophobicContact CG-CE1 4.25Å; F363-F393 HydrophobicContact CG-CZ 4.47Å; M378-F393 CarbonylContact C-O 3.57Å; M378-F393 WeakPolarHBondContact CA-O 3.17Å; Y379-F393 HydrophobicContact CD1-CZ 4.33Å; Y379-F393 HydrophobicContact CD2-CD2 4.08Å; Y379-F393 AromaticContact CD2-CE2 3.42Å; Y379-F393 HydrophobicContact CD2-CE2 3.42Å; Y379-F393 VanDerWaalsContact CD2-CE2 3.42Å; Y379-F393 AromaticContact CD2-CZ 3.92Å; Y379-F393 HydrophobicContact CD2-CZ 3.92Å; Y379-F393 HydrophobicContact CE2-CE2 4.28Å; Y379-F393 HydrophobicContact CG-CD2 4.43Å; Y379-F393 HydrophobicContact CG-CE1 4.4Å; Y379-F393 AromaticContact CG-CE2 3.63Å; Y379-F393 HydrophobicContact CG-CE2 3.63Å; Y379-F393 AromaticContact CG-CZ 3.61Å; Y379-F393 HydrophobicContact CG-CZ 3.61Å; Y379-F393 PolarHBondContact N-O 3.5Å; Y379-F393 PolarHBondContact O-N 2.96Å; V381-F393 HydrophobicContact CG2-CD1 3.46Å; V381-F393 VanDerWaalsContact CG2-CD1 3.46Å; V381-F393 HydrophobicContact CG2-CE1 3.54Å; F393-L395 HydrophobicContact CD2-CD2 3.77Å; F393-L395 HydrophobicContact CD2-CG 3.98Å; F393-L395 HydrophobicContact CE2-CD1 4.12Å; F393-L395 HydrophobicContact CE2-CD2 3.81Å; F393-L395 HydrophobicContact CE2-CG 3.84Å; F393-A446 CarbonylContact C-O 3.06Å; F393-A446 WeakPolarHBondContact CA-O 3.44Å; F393-F476 HydrophobicContact CE1-CZ 4.43Å; F393-F476 HydrophobicContact CE2-CE2 4.2Å; F393-F476 HydrophobicContact CZ-CE2 4.19Å; F393-F476 HydrophobicContact CZ-CZ 4.09Å; F393-L479 HydrophobicContact CB-CD1 3.61Å; F393-L479 HydrophobicContact CB-CD2 3.81Å; F393-L479 HydrophobicContact CB-CG 4.02Å; F393-L479 HydrophobicContact CD1-CD2 4.16Å; F393-L479 HydrophobicContact CD2-CD2 3.76Å; F393-L479 HydrophobicContact CE2-CD2 4.34Å; F393-L479 HydrophobicContact CG-CD1 4.41Å; F393-L479 HydrophobicContact CG-CD2 3.66Å; F393-L479 HydrophobicContact CG-CG 4.35Å; F393-M480 HydrophobicContact CD1-CE 4.37Å; F393-M480 HydrophobicContact CE1-CE 4.47Å
394	Y	98.6	Very high	94.9	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.5	172.2	-62.3	-86.5	0	0	0	111	L9 W11 E370 V371 W372 V376 E377 M378 L412 I445 A446 L448	L9-Y394 HydrophobicContact CD1-CE2 4.28Å; W11-Y394 HydrophobicContact CZ2-CE2 4.24Å; W11-Y394 AromaticContact NE1-CZ 3.59Å; W11-Y394 PolarHBondContact NE1-OH 3.17Å; E370-Y394 WeakPolarHBondContact O-CE1 3.41Å; E370-Y394 PolarHBondContact O-OH 3.28Å; V371-Y394 HydrophobicContact CG1-CD1 4.03Å; V371-Y394 HydrophobicContact CG1-CE1 3.88Å; W372-Y394 HydrophobicContact CH2-CD1 4.14Å; W372-Y394 HydrophobicContact CH2-CD2 4.16Å; W372-Y394 AromaticContact CH2-CG 3.7Å; W372-Y394 HydrophobicContact CH2-CG 3.7Å; W372-Y394 AromaticContact CZ3-CD1 3.97Å; W372-Y394 HydrophobicContact CZ3-CD1 3.97Å; W372-Y394 HydrophobicContact CZ3-CD2 4.08Å; W372-Y394 HydrophobicContact CZ3-CE1 4.33Å; W372-Y394 HydrophobicContact CZ3-CE2 4.43Å; W372-Y394 AromaticContact CZ3-CG 3.83Å; W372-Y394 HydrophobicContact CZ3-CG 3.83Å; V376-Y394 HydrophobicContact CG1-CD1 3.94Å; V376-Y394 HydrophobicContact CG1-CG 4.49Å; E377-Y394 CarbonylContact O-C 3.6Å; E377-Y394 VanDerWaalsContact O-CA 3.23Å; E377-Y394 WeakPolarHBondContact O-CA 3.37Å; M378-Y394 HydrophobicContact CB-CD1 3.84Å; M378-Y394 HydrophobicContact CB-CE1 3.76Å; M378-Y394 HydrophobicContact CE-CE2 4.44Å; M378-Y394 HydrophobicContact CG-CD1 4.06Å; M378-Y394 HydrophobicContact CG-CE1 3.75Å; M378-Y394 HydrophobicContact SD-CE1 3.72Å; Y394-L412 HydrophobicContact CD2-CD1 4.13Å; Y394-L412 HydrophobicContact CE2-CD1 4.36Å; Y394-I445 HydrophobicContact CD2-CG2 4.18Å; Y394-I445 HydrophobicContact CE2-CG2 3.79Å; Y394-A446 PolarHBondContact N-O 2.88Å; Y394-L448 PolarHBondContact O-N 2.83Å
395	L	98.6	Very high	94.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.3	170.5	-58.4	-176.1	0	0	0	109.6	K348 V376 E377 Y379 F393 L397 L448	K348-L395 HydrophobicContact CD-CD1 4Å; K348-L395 HydrophobicContact CG-CD1 4.29Å; V376-L395 WeakPolarHBondContact CA-O 3.38Å; E377-L395 PolarHBondContact N-O 2.99Å; E377-L395 PolarHBondContact O-N 3.32Å; Y379-L395 HydrophobicContact CD2-CD1 4.27Å; Y379-L395 HydrophobicContact CD2-CG 4.35Å; Y379-L395 HydrophobicContact CE2-CD1 3.74Å; Y379-L395 HydrophobicContact CE2-CG 4.18Å; F393-L395 HydrophobicContact CD2-CD2 3.77Å; F393-L395 HydrophobicContact CD2-CG 3.98Å; F393-L395 HydrophobicContact CE2-CD1 4.12Å; F393-L395 HydrophobicContact CE2-CD2 3.81Å; F393-L395 HydrophobicContact CE2-CG 3.84Å; L395-L397 HydrophobicContact CB-CD2 4.17Å; L395-L397 HydrophobicContact CB-CG 4.26Å; L395-L448 HydrophobicContact CD2-CB 3.93Å; L395-L448 HydrophobicContact CD2-CD1 4.28Å; L395-L448 HydrophobicContact CD2-CD2 4.36Å; L395-L448 HydrophobicContact CD2-CG 4.44Å
396	D	97.8	Very high	94.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	90.8	177.1	-174.5	-5.8	0	0	0	110.5	W372 V376 R400 K403 L448 V449 T450	W372-D396 HydrophobicContact CZ2-CB 3.95Å; W372-D396 PolarHBondContact NE1-OD2 2.93Å; V376-D396 HydrophobicContact CG2-CB 3.89Å; D396-R400 IonicContact OD1-CZ 2.66Å; D396-R400 VanDerWaalsContact OD1-CZ 3.24Å; D396-R400 IonicContact OD1-NH1 3.9Å; D396-R400 PolarHBondContact OD1-NH1 3.41Å; D396-R400 IonicContact OD1-NH2 2.92Å; D396-R400 PolarHBondContact OD1-NH2 3.3Å; D396-R400 IonicContact OD2-CZ 3.88Å; D396-R400 IonicContact OD2-NH2 2.72Å; D396-R400 PolarHBondContact OD2-NH2 3.26Å; D396-K403 PolarHBondContact O-NZ 3.13Å; D396-K403 IonicContact OD1-NZ 3.72Å; D396-K403 PolarHBondContact OD1-NZ 3.02Å; D396-K403 WeakPolarHBondContact OD2-CE 3.37Å; D396-K403 IonicContact OD2-NZ 3.83Å; D396-L448 PolarHBondContact N-O 2.77Å; D396-V449 HydrophobicContact CB-CG2 4.46Å; D396-V449 WeakPolarHBondContact O-CA 3.45Å; D396-T450 PolarHBondContact O-N 2.67Å
397	L	96.7	Very high	94.1	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.063	17%	0.169	C	C	.	.			trans	-95.5	-22.6	-154.5	-58.8	-177.7	0	0	0	116.3	L344 K348 L395 L448 T450 F452 F472	L344-L397 HydrophobicContact CD1-CD1 4.07Å; L344-L397 HydrophobicContact CD2-CD1 4.42Å; K348-L397 HydrophobicContact CD-CD1 4.47Å; L395-L397 HydrophobicContact CB-CD2 4.17Å; L395-L397 HydrophobicContact CB-CG 4.26Å; L397-L448 HydrophobicContact CD2-CD2 3.59Å; L397-T450 CarbonylContact C-O 3.27Å; L397-T450 WeakPolarHBondContact CA-OG1 3.41Å; L397-T450 CarbonylContact O-C 3.37Å; L397-T450 VanDerWaalsContact O-C 3.27Å; L397-T450 PolarHBondContact O-OG1 3.49Å; L397-F452 HydrophobicContact CB-CD2 4.23Å; L397-F452 HydrophobicContact CD2-CD2 4.41Å; L397-F452 HydrophobicContact CD2-CE2 4.22Å; L397-F452 PolarHBondContact O-N 3.41Å; L397-F472 HydrophobicContact CD1-CE1 4.34Å; L397-F472 HydrophobicContact CD1-CZ 4.14Å; L397-F472 HydrophobicContact CD2-CE2 4.22Å; L397-F472 HydrophobicContact CD2-CZ 4.09Å
398	H	93.3	Very high	94.2	Very high	21 Å²	21	26.9 Å²	26.9	10%	0.097	15%	0.147	C	C	.	.	S	Bend	trans	-109.8	153.7	-170.3	-55.7	127.2	0	0	0	113.3	E375 R400 K403	E375-H398 IonicContact OE1-ND1 3.22Å; E375-H398 IonicContact OE2-CE1 2.72Å; E375-H398 IonicContact OE2-CG 2.92Å; E375-H398 IonicContact OE2-ND1 3.85Å; E375-H398 PolarHBondContact OE2-ND1 3Å; H398-R400 PolarHBondContact O-NH1 3.35Å; H398-K403 WeakPolarHBondContact O-CD 3.4Å; H398-K403 PolarHBondContact O-NZ 3.47Å
399	P	91.6	Very high	94.4	Very high	32 Å²	32	25.9 Å²	25.9	21%	0.208	14%	0.139	C	C	.	.			trans	-68.9	146.1	175.1	32.9	-40.9	0	0	0	112.6	P204 N451 F452	P204-P399 HydrophobicContact CG-CG 4.11Å; P399-N451 WeakPolarHBondContact CA-OD1 3.42Å; P399-N451 HydrophobicContact CB-CB 4.17Å; P399-N451 VanDerWaalsContact CB-OD1 3.28Å; P399-N451 WeakPolarHBondContact CB-OD1 3.34Å; P399-F452 WeakPolarHBondContact CD-O 3.01Å
400	R	90.6	Very high	94.5	Very high	42 Å²	42	25 Å²	25	16%	0.158	13%	0.132	C	C	.	.			trans	-145.8	160.8	170.9	-65.6	-177.4	-61.8	-80	-3.5	110.1	H373 E375 D396 H398 G402 K403	H373-R400 VanDerWaalsContact NE2-CD 3.26Å; H373-R400 WeakPolarHBondContact NE2-CD 3.49Å; E375-R400 IonicContact OE2-NH1 3.71Å; D396-R400 IonicContact OD1-CZ 2.66Å; D396-R400 VanDerWaalsContact OD1-CZ 3.24Å; D396-R400 IonicContact OD1-NH1 3.9Å; D396-R400 PolarHBondContact OD1-NH1 3.41Å; D396-R400 IonicContact OD1-NH2 2.92Å; D396-R400 PolarHBondContact OD1-NH2 3.3Å; D396-R400 IonicContact OD2-CZ 3.88Å; D396-R400 IonicContact OD2-NH2 2.72Å; D396-R400 PolarHBondContact OD2-NH2 3.26Å; H398-R400 PolarHBondContact O-NH1 3.35Å; R400-G402 PolarHBondContact O-N 3.46Å; R400-K403 HydrophobicContact CB-CB 4.25Å; R400-K403 VanDerWaalsContact O-CB 3.32Å; R400-K403 WeakPolarHBondContact O-CB 3.4Å; R400-K403 PolarHBondContact O-N 3.46Å
401	E	89.5	Confident	94.6	Very high	158 Å²	158	24.6 Å²	24.6	74%	0.738	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	132.4	176.2	-174	-178.7	163	0	0	111.1	K403	E401-K403 PolarHBondContact O-N 3.44Å; E401-K403 VanDerWaalsContact O-N 3.16Å
402	G	90.4	Very high	94.6	Very high	4 Å²	4	24.7 Å²	24.7	4%	0.041	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-2.1	-178.7	0	0	0	0	0	115.5	R78 R400	R78-G402 WeakPolarHBondContact CD-O 3.39Å; R400-G402 PolarHBondContact O-N 3.46Å
403	K	93.3	Very high	94.6	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	14%	0.136	C	C	.	.	S	Bend	trans	-74.3	145.9	172.6	-171.4	-174.5	173.9	-176.5	0	110.2	H70 D396 H398 R400 E401 G405 T450	H70-K403 CarbonylContact O-C 3.47Å; H70-K403 VanDerWaalsContact O-CA 3.28Å; H70-K403 WeakPolarHBondContact O-CA 3.35Å; D396-K403 PolarHBondContact O-NZ 3.13Å; D396-K403 IonicContact OD1-NZ 3.72Å; D396-K403 PolarHBondContact OD1-NZ 3.02Å; D396-K403 WeakPolarHBondContact OD2-CE 3.37Å; D396-K403 IonicContact OD2-NZ 3.83Å; H398-K403 WeakPolarHBondContact O-CD 3.4Å; H398-K403 PolarHBondContact O-NZ 3.47Å; R400-K403 HydrophobicContact CB-CB 4.25Å; R400-K403 VanDerWaalsContact O-CB 3.32Å; R400-K403 WeakPolarHBondContact O-CB 3.4Å; R400-K403 PolarHBondContact O-N 3.46Å; E401-K403 PolarHBondContact O-N 3.44Å; E401-K403 VanDerWaalsContact O-N 3.16Å; K403-G405 PolarHBondContact O-N 3.13Å; K403-T450 PolarHBondContact NZ-O 3Å
404	Y	91.4	Very high	94.5	Very high	23 Å²	23	24.6 Å²	24.6	9%	0.09	14%	0.138	C	C	.	.			trans	-44.3	123.4	168.7	-177.4	-107.1	0	0	0	111.2	H70 H406 A408 F410 N451 L599	H70-Y404 PolarHBondContact O-N 3.05Å; Y404-H406 HydrophobicContact CD1-CB 4.23Å; Y404-H406 HydrophobicContact CE1-CB 3.47Å; Y404-H406 VanDerWaalsContact CE1-CB 3.47Å; Y404-H406 PolarHBondContact O-N 2.95Å; Y404-A408 HydrophobicContact CD1-CB 4.38Å; Y404-A408 HydrophobicContact CE1-CB 3.6Å; Y404-F410 HydrophobicContact CD1-CE2 4.43Å; Y404-F410 HydrophobicContact CD1-CZ 4.35Å; Y404-F410 HydrophobicContact CD2-CZ 4.48Å; Y404-F410 HydrophobicContact CG-CZ 4.3Å; Y404-N451 PolarHBondContact O-ND2 3.18Å; Y404-L599 HydrophobicContact CE2-CD2 3.66Å
405	G	86.8	Confident	94.4	Very high	16 Å²	16	24.5 Å²	24.5	17%	0.165	14%	0.138	C	C	.	.	S	Bend	trans	-84.7	-0.8	-166.9	0	0	0	0	0	116.2	K403 N451	K403-G405 PolarHBondContact O-N 3.13Å; G405-N451 PolarHBondContact O-ND2 2.89Å
406	H	88.4	Confident	94.2	Very high	41 Å²	41	24.4 Å²	24.4	19%	0.19	14%	0.138	C	C	.	.	S	Bend	trans	-113.9	-173.2	-179.9	-61.5	-97.3	0	0	0	111.8	Y203 Y404 N451	Y203-H406 AromaticContact CE2-ND1 3.83Å; Y203-H406 AromaticContact CZ-CE1 3.85Å; Y203-H406 AromaticContact CZ-ND1 3.63Å; Y203-H406 PolarHBondContact OH-CE1 3.45Å; Y203-H406 PolarHBondContact OH-ND1 3.11Å; Y404-H406 HydrophobicContact CD1-CB 4.23Å; Y404-H406 HydrophobicContact CE1-CB 3.47Å; Y404-H406 VanDerWaalsContact CE1-CB 3.47Å; Y404-H406 PolarHBondContact O-N 2.95Å; H406-N451 PolarHBondContact N-ND2 3.48Å; H406-N451 PolarHBondContact O-ND2 2.91Å
407	A	94.8	Very high	93.8	Very high	30 Å²	30	26.5 Å²	26.5	25%	0.248	15%	0.146	C	C	.	.			trans	-97.4	136.5	165.7	0	0	0	0	0	108.7	V449 T450 T471 E475	A407-V449 CarbonylContact C-O 3.58Å; A407-V449 VanDerWaalsContact CA-O 3.29Å; A407-V449 WeakPolarHBondContact CA-O 3.46Å; A407-T450 HydrophobicContact CB-CG2 3.94Å; A407-T471 HydrophobicContact CB-CG2 3.46Å; A407-T471 VanDerWaalsContact CB-CG2 3.46Å; A407-E475 HydrophobicContact CB-CG 3.86Å; A407-E475 WeakPolarHBondContact CB-OE1 3.47Å
408	A	96.5	Very high	92.9	Very high	17 Å²	17	26.2 Å²	26.2	14%	0.14	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	160.1	175.8	0	0	0	0	0	111.7	Y404 F410 V449 E475	Y404-A408 HydrophobicContact CD1-CB 4.38Å; Y404-A408 HydrophobicContact CE1-CB 3.6Å; A408-F410 HydrophobicContact CB-CD2 4.43Å; A408-F410 HydrophobicContact CB-CE2 3.83Å; A408-F410 HydrophobicContact CB-CZ 4.31Å; A408-V449 PolarHBondContact N-O 3.05Å; A408-V449 PolarHBondContact O-N 3.26Å; A408-E475 VanDerWaalsContact C-OE2 3.29Å; A408-E475 VanDerWaalsContact CA-OE2 3.22Å; A408-E475 WeakPolarHBondContact CA-OE2 3.47Å
409	V	98.3	Very high	91.6	Very high	31 Å²	31	27 Å²	27	19%	0.188	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.6	163	175.4	0	0	0	0	110.5	A446 A447 L448 E475 H478 L479	V409-A446 HydrophobicContact CG1-CB 3.97Å; V409-A447 CarbonylContact C-O 3.51Å; V409-A447 VanDerWaalsContact CA-O 3.31Å; V409-A447 WeakPolarHBondContact CA-O 3.48Å; V409-L448 HydrophobicContact CG2-CB 4.32Å; V409-L448 HydrophobicContact CG2-CG 4.39Å; V409-E475 HydrophobicContact CG2-CB 4.06Å; V409-E475 WeakPolarHBondContact CG2-O 3.06Å; V409-E475 PolarHBondContact N-OE2 2.64Å; V409-H478 HydrophobicContact CB-CB 3.88Å; V409-H478 HydrophobicContact CG1-CB 4.49Å; V409-H478 HydrophobicContact CG2-CB 3.75Å; V409-L479 HydrophobicContact CG1-CB 4.41Å; V409-L479 HydrophobicContact CG1-CD1 4.09Å; V409-L479 HydrophobicContact CG2-CB 4.1Å
410	F	97.7	Very high	89.6	Confident	43 Å²	43	31.3 Å²	31.3	19%	0.189	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.6	173.9	-64.1	-99.7	0	0	0	108.7	F67 H70 Y404 A408 L412 A446 A447 V449	F67-F410 HydrophobicContact CD2-CB 3.96Å; F67-F410 AromaticContact CD2-CD1 3.68Å; F67-F410 HydrophobicContact CD2-CD1 3.68Å; F67-F410 HydrophobicContact CD2-CD2 4.2Å; F67-F410 HydrophobicContact CD2-CE1 4.19Å; F67-F410 AromaticContact CD2-CG 3.67Å; F67-F410 HydrophobicContact CD2-CG 3.67Å; F67-F410 HydrophobicContact CE2-CB 3.74Å; F67-F410 AromaticContact CE2-CD1 3.8Å; F67-F410 HydrophobicContact CE2-CD1 3.8Å; F67-F410 AromaticContact CE2-CD2 3.44Å; F67-F410 HydrophobicContact CE2-CD2 3.44Å; F67-F410 VanDerWaalsContact CE2-CD2 3.44Å; F67-F410 HydrophobicContact CE2-CE1 4.24Å; F67-F410 AromaticContact CE2-CE2 3.92Å; F67-F410 HydrophobicContact CE2-CE2 3.92Å; F67-F410 AromaticContact CE2-CG 3.36Å; F67-F410 HydrophobicContact CE2-CG 3.36Å; F67-F410 HydrophobicContact CE2-CZ 4.29Å; F67-F410 HydrophobicContact CZ-CB 4.49Å; F67-F410 HydrophobicContact CZ-CD2 4.31Å; F67-F410 HydrophobicContact CZ-CG 4.41Å; H70-F410 AromaticContact CD2-CE1 3.61Å; Y404-F410 HydrophobicContact CD1-CE2 4.43Å; Y404-F410 HydrophobicContact CD1-CZ 4.35Å; Y404-F410 HydrophobicContact CD2-CZ 4.48Å; Y404-F410 HydrophobicContact CG-CZ 4.3Å; A408-F410 HydrophobicContact CB-CD2 4.43Å; A408-F410 HydrophobicContact CB-CE2 3.83Å; A408-F410 HydrophobicContact CB-CZ 4.31Å; F410-L412 HydrophobicContact CB-CD2 4.04Å; F410-L412 PolarHBondContact O-N 2.89Å; F410-A446 CarbonylContact O-C 3.48Å; F410-A446 WeakPolarHBondContact O-CA 3.31Å; F410-A446 VanDerWaalsContact O-CB 3.32Å; F410-A446 WeakPolarHBondContact O-CB 3.36Å; F410-A447 PolarHBondContact N-O 2.8Å; F410-A447 PolarHBondContact O-N 2.85Å; F410-V449 HydrophobicContact CD2-CB 4.28Å; F410-V449 HydrophobicContact CD2-CG2 3.78Å; F410-V449 HydrophobicContact CE2-CB 3.98Å; F410-V449 HydrophobicContact CE2-CG2 3.88Å
411	G	97.6	Very high	87.3	Confident	28 Å²	28	36 Å²	36	29%	0.289	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	110.1	169.8	0	0	0	0	0	109.3	N63 H482	N63-G411 PolarHBondContact ND2-O 2.81Å; G411-H482 VanDerWaalsContact CA-CE1 3.47Å; G411-H482 WeakPolarHBondContact CA-CE1 3.39Å
412	L	98.1	Very high	85	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-40.7	-170.8	-61.2	176.2	0	0	0	112.6	L9 W11 N63 F67 Y394 F410 I445 A447	L9-L412 HydrophobicContact CD1-CB 3.68Å; L9-L412 HydrophobicContact CD1-CD1 3.98Å; L9-L412 HydrophobicContact CD1-CG 4.49Å; L9-L412 HydrophobicContact CD2-CB 4.09Å; W11-L412 HydrophobicContact CH2-CD1 3.7Å; W11-L412 HydrophobicContact CH2-CD2 4.09Å; W11-L412 HydrophobicContact CH2-CG 4.43Å; W11-L412 HydrophobicContact CZ2-CD1 3.64Å; N63-L412 HydrophobicContact CB-CD2 4.38Å; N63-L412 WeakPolarHBondContact CB-O 3.38Å; N63-L412 PolarHBondContact ND2-O 3.32Å; F67-L412 HydrophobicContact CB-CD2 4.03Å; F67-L412 HydrophobicContact CD1-CD2 3.94Å; F67-L412 HydrophobicContact CD2-CD2 4.16Å; F67-L412 HydrophobicContact CE1-CD1 4.43Å; F67-L412 HydrophobicContact CE1-CD2 4.4Å; F67-L412 HydrophobicContact CG-CD2 3.78Å; Y394-L412 HydrophobicContact CD2-CD1 4.13Å; Y394-L412 HydrophobicContact CE2-CD1 4.36Å; F410-L412 HydrophobicContact CB-CD2 4.04Å; F410-L412 PolarHBondContact O-N 2.89Å; L412-I445 WeakPolarHBondContact CA-O 3.08Å; L412-I445 WeakPolarHBondContact CB-O 3.3Å; L412-I445 PolarHBondContact N-O 3.32Å; L412-A447 HydrophobicContact CD1-CB 3.74Å; L412-A447 HydrophobicContact CG-CB 4.41Å
413	Q	97.7	Very high	82.2	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.3	174.8	-172	173.7	-66.8	0	0	107.8	G6 L8 T60 Q442 L443 A444 I445 H482	G6-Q413 PolarHBondContact O-NE2 2.75Å; L8-Q413 VanDerWaalsContact CB-OE1 3.3Å; T60-Q413 HydrophobicContact CG2-CB 4.03Å; T60-Q413 HydrophobicContact CG2-CG 3.77Å; Q413-Q442 HydrophobicContact CG-CG 3.77Å; Q413-L443 WeakPolarHBondContact CG-O 3.35Å; Q413-L443 PolarHBondContact NE2-O 2.76Å; Q413-A444 CarbonylContact O-C 3.55Å; Q413-A444 WeakPolarHBondContact O-CA 3.49Å; Q413-I445 HydrophobicContact CB-CB 3.71Å; Q413-I445 HydrophobicContact CB-CD1 4.17Å; Q413-I445 HydrophobicContact CB-CG1 3.86Å; Q413-I445 PolarHBondContact N-O 2.99Å; Q413-I445 PolarHBondContact O-N 3.01Å; Q413-H482 PolarHBondContact O-NE2 3.03Å
414	P	97.2	Very high	79.2	Confident	8 Å²	8	42.8 Å²	42.8	5%	0.052	25%	0.245	C	C	.	.			trans	-70.6	135.6	179.1	25.9	-31.5	0	0	0	110.8	Q59 C416 Q442 A490 S493	Q59-P414 HydrophobicContact CB-CG 4.49Å; P414-C416 PolarHBondContact O-N 2.78Å; P414-Q442 PolarHBondContact O-NE2 3.42Å; P414-A490 HydrophobicContact CB-CB 3.99Å; P414-A490 HydrophobicContact CG-CB 3.77Å; P414-S493 WeakPolarHBondContact CA-OG 3.48Å; P414-S493 WeakPolarHBondContact CB-OG 3.19Å
415	G	95.6	Very high	76	Confident	1 Å²	1	48 Å²	48	1%	0.01	28%	0.28	C	S	.	.			trans	-77	100.9	169	0	0	0	0	0	108.9	R441 Q442 T487 S493	G415-R441 PolarHBondContact O-NH2 3.16Å; G415-Q442 WeakPolarHBondContact CA-O 3.48Å; G415-T487 PolarHBondContact O-OG1 3.2Å; G415-S493 PolarHBondContact N-OG 3.02Å; G415-S493 PolarHBondContact O-OG 2.81Å
416	C	95.5	Very high	73.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	-175.9	-176.7	60	0	0	0	0	111.6	A56 P414 G418 R441 Q442 T487	A56-C416 WeakPolarHBondContact CB-SG 3.45Å; P414-C416 PolarHBondContact O-N 2.78Å; C416-G418 PolarHBondContact O-N 3.36Å; C416-R441 VanDerWaalsContact C-NH1 3.25Å; C416-R441 VanDerWaalsContact O-CG 3.3Å; C416-R441 WeakPolarHBondContact O-CG 3.39Å; C416-R441 PolarHBondContact O-NH1 3.47Å; C416-Q442 PolarHBondContact N-O 3.42Å; C416-Q442 PolarHBondContact O-N 3.18Å; C416-T487 WeakPolarHBondContact CA-O 3.11Å
417	R	89	Confident	70.1	Confident	45 Å²	45	55.8 Å²	55.8	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	123.7	171.9	-170.9	-177.6	-175.7	130.7	19.3	109.6	L53 Y120 L437 S439 E488	L53-R417 HydrophobicContact CD2-CG 4.23Å; Y120-R417 WeakPolarHBondContact OH-CD 3.13Å; R417-L437 PolarHBondContact NH2-O 2.68Å; R417-S439 WeakPolarHBondContact CG-OG 3.18Å; R417-S439 PolarHBondContact NE-OG 3.43Å; R417-S439 PolarHBondContact NH2-OG 3.25Å; R417-E488 WeakPolarHBondContact CB-O 3.37Å; R417-E488 PolarHBondContact N-O 3.36Å; R417-E488 VanDerWaalsContact N-O 3.14Å
418	G	77.2	Confident	66.8	Low	5 Å²	5	62.2 Å²	62.2	5%	0.052	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-92	166.5	177.4	0	0	0	0	0	113	L53 C416 S439 E440	L53-G418 WeakPolarHBondContact CD2-O 3.39Å; C416-G418 PolarHBondContact O-N 3.36Å; G418-S439 VanDerWaalsContact O-CB 3.23Å; G418-S439 WeakPolarHBondContact O-CB 3.38Å; G418-E440 WeakPolarHBondContact CA-O 3.44Å; G418-E440 PolarHBondContact N-O 2.86Å
419	S	66.3	Low	63.6	Low	37 Å²	37	69.2 Å²	69.2	26%	0.259	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-80.3	146	163.4	-174.2	0	0	0	0	109.7	E57 D421	E57-S419 WeakPolarHBondContact OE1-CB 3.25Å; S419-D421 PolarHBondContact O-N 3.5Å; S419-D421 VanDerWaalsContact O-N 3.17Å
420	M	48.9	Very low	60.2	Low	123 Å²	123	75.9 Å²	75.9	61%	0.606	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.5	-175.4	-152.8	-171.1	-107.7	0	0	113	S422 T438	M420-S422 PolarHBondContact O-N 3.33Å; M420-T438 WeakPolarHBondContact CE-O 3.14Å; M420-T438 WeakPolarHBondContact CE-OG1 3.31Å
421	D	43.2	Very low	57	Low	142 Å²	142	81.8 Å²	81.8	76%	0.759	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	6.6	-168.7	-76.9	-17.3	0	0	0	115.7	S419 N423	S419-D421 PolarHBondContact O-N 3.5Å; S419-D421 VanDerWaalsContact O-N 3.17Å; D421-N423 VanDerWaalsContact C-N 3.32Å; D421-N423 PolarHBondContact O-N 2.9Å
422	S	40.5	Very low	53.6	Low	58 Å²	58	90.1 Å²	90.1	41%	0.406	48%	0.48	S	S	.	.	S	Bend	trans	-82.2	71.8	177.8	78.8	0	0	0	0	112.9	M420 N424	M420-S422 PolarHBondContact O-N 3.33Å; S422-N424 VanDerWaalsContact C-N 3.33Å; S422-N424 PolarHBondContact O-N 3.15Å
423	N	31.7	Very low	50.2	Low	155 Å²	155	94.4 Å²	94.4	83%	0.829	51%	0.51	S	S	*	.	S	Bend	trans	48.9	25.5	156.4	-82.4	-14.3	0	0	0	120.3	D421 T425	D421-N423 VanDerWaalsContact C-N 3.32Å; D421-N423 PolarHBondContact O-N 2.9Å; N423-T425 PolarHBondContact O-N 3.43Å
424	N	30.5	Very low	47	Very low	93 Å²	93	100.4 Å²	100.4	50%	0.497	55%	0.55	S	S	.	.			trans	-92	77.9	166.1	-155.4	10.5	0	0	0	110.6	S422 T426 E440	S422-N424 VanDerWaalsContact C-N 3.33Å; S422-N424 PolarHBondContact O-N 3.15Å; N424-T426 PolarHBondContact O-N 3.28Å; N424-T426 PolarHBondContact OD1-OG1 3.04Å; N424-E440 PolarHBondContact ND2-OE2 3.29Å
425	T	24	Very low	43.6	Very low	133 Å²	133	103.8 Å²	103.8	82%	0.816	57%	0.573	S	S	*	*			trans	-76.6	73.2	164.7	41.3	0	0	0	0	109.7	N423	N423-T425 PolarHBondContact O-N 3.43Å
426	T	26.9	Very low	40.6	Very low	111 Å²	111	111.3 Å²	111.3	68%	0.681	61%	0.612	S	S	*	*			trans	-119.8	110.4	155.3	47.9	0	0	0	0	109.6	N424	N424-T426 PolarHBondContact O-N 3.28Å; N424-T426 PolarHBondContact OD1-OG1 3.04Å
427	V	25.1	Very low	37.5	Very low	108 Å²	108	116.7 Å²	116.7	66%	0.655	64%	0.64	S	S	*	*			trans	-61.5	133.4	-176.3	-180	0	0	0	0	111.2	E429	V427-E429 HydrophobicContact CG1-CB 4.18Å; V427-E429 HydrophobicContact CG1-CG 3.9Å
428	N	25.7	Very low	34.9	Very low	166 Å²	166	119 Å²	119	89%	0.888	66%	0.66	S	S	*	*			trans	-137.2	76.9	145.3	-91	-30.9	0	0	0	107.8	H430	N428-H430 PolarHBondContact O-N 2.95Å
429	E	28.8	Very low	33.6	Very low	163 Å²	163	120.4 Å²	120.4	76%	0.762	67%	0.669	S	S	*	*			trans	-61.1	98.2	160.8	-77.1	175.1	178.8	0	0	107.7	V427	V427-E429 HydrophobicContact CG1-CB 4.18Å; V427-E429 HydrophobicContact CG1-CG 3.9Å
430	H	26.7	Very low	34	Very low	172 Å²	172	124.4 Å²	124.4	80%	0.796	68%	0.683	S	S	*	*			trans	167.5	74.1	150.9	-79	-37.8	0	0	0	108.7	N428	N428-H430 PolarHBondContact O-N 2.95Å
431	N	30.7	Very low	35.9	Very low	167 Å²	167	122.5 Å²	122.5	89%	0.893	67%	0.669	S	S	*	*			trans	-162.3	101.4	151.6	-92.2	-30.8	0	0	0	109.7	S433	N431-S433 PolarHBondContact O-N 3.49Å; N431-S433 VanDerWaalsContact O-N 3.15Å
432	H	26.5	Very low	38.3	Very low	202 Å²	202	116.4 Å²	116.4	94%	0.935	64%	0.637	S	S	*	*			trans	-76.3	92.1	171.1	-74.6	-65.7	0	0	0	110
433	S	27.2	Very low	40.9	Very low	93 Å²	93	114.9 Å²	114.9	65%	0.65	62%	0.623	S	S	*	*			trans	-158.5	118.1	150	-172.6	0	0	0	0	108.4	N431 S435	N431-S433 PolarHBondContact O-N 3.49Å; N431-S433 VanDerWaalsContact O-N 3.15Å; S433-S435 PolarHBondContact O-N 3.23Å
434	P	28.8	Very low	44.1	Very low	127 Å²	127	107.5 Å²	107.5	83%	0.825	58%	0.584	S	S	*	*			trans	-77.6	74.8	174.8	32.3	-30.5	0	0	0	108.4	L436	P434-L436 VanDerWaalsContact C-N 3.34Å; P434-L436 PolarHBondContact O-N 3.01Å; P434-L436 VanDerWaalsContact O-N 3.12Å
435	S	27.4	Very low	47.3	Very low	78 Å²	78	103.1 Å²	103.1	55%	0.545	56%	0.561	S	S	.	*			trans	-72.7	100.8	157.1	77.5	0	0	0	0	106.3	S433 L437	S433-S435 PolarHBondContact O-N 3.23Å; S435-L437 PolarHBondContact O-N 3.4Å; S435-L437 VanDerWaalsContact O-N 3.15Å
436	L	31.9	Very low	50.9	Low	160 Å²	160	96.8 Å²	96.8	84%	0.838	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.3	122.9	156.2	-71.4	149.5	0	0	0	107.1	P434	P434-L436 VanDerWaalsContact C-N 3.34Å; P434-L436 PolarHBondContact O-N 3.01Å; P434-L436 VanDerWaalsContact O-N 3.12Å
437	L	30.1	Very low	54.3	Low	112 Å²	112	91.5 Å²	91.5	59%	0.586	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.4	11.1	166.1	-57.1	159.3	0	0	0	119.8	R417 S435 S439	R417-L437 PolarHBondContact NH2-O 2.68Å; S435-L437 PolarHBondContact O-N 3.4Å; S435-L437 VanDerWaalsContact O-N 3.15Å; L437-S439 PolarHBondContact O-N 3.41Å
438	T	35.2	Very low	57.8	Low	94 Å²	94	86.3 Å²	86.3	58%	0.577	46%	0.458	S	S	*	.			trans	-80.1	60.2	166.2	62.8	0	0	0	0	111.9	M420 E440	M420-T438 WeakPolarHBondContact CE-O 3.14Å; M420-T438 WeakPolarHBondContact CE-OG1 3.31Å; T438-E440 PolarHBondContact O-N 2.94Å
439	S	48.5	Very low	61.2	Low	35 Å²	35	78.4 Å²	78.4	25%	0.245	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-68.8	124.4	168.1	50.5	0	0	0	0	109.5	R417 G418 L437	R417-S439 WeakPolarHBondContact CG-OG 3.18Å; R417-S439 PolarHBondContact NE-OG 3.43Å; R417-S439 PolarHBondContact NH2-OG 3.25Å; G418-S439 VanDerWaalsContact O-CB 3.23Å; G418-S439 WeakPolarHBondContact O-CB 3.38Å; L437-S439 PolarHBondContact O-N 3.41Å
440	E	75.5	Confident	64.5	Low	120 Å²	120	70.7 Å²	70.7	56%	0.561	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-61.2	141.3	167.6	-70.9	-166.2	161.5	0	0	109.5	G418 N424 T438	G418-E440 WeakPolarHBondContact CA-O 3.44Å; G418-E440 PolarHBondContact N-O 2.86Å; N424-E440 PolarHBondContact ND2-OE2 3.29Å; T438-E440 PolarHBondContact O-N 2.94Å
441	R	88.5	Confident	67.7	Low	83 Å²	83	63.2 Å²	63.2	31%	0.313	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	133.5	-179.5	-177.5	174.1	176.2	64.9	5.8	109.4	G415 C416 L443 S485 H486 T487	G415-R441 PolarHBondContact O-NH2 3.16Å; C416-R441 VanDerWaalsContact C-NH1 3.25Å; C416-R441 VanDerWaalsContact O-CG 3.3Å; C416-R441 WeakPolarHBondContact O-CG 3.39Å; C416-R441 PolarHBondContact O-NH1 3.47Å; R441-L443 PolarHBondContact O-N 3.2Å; R441-S485 PolarHBondContact NH2-O 3.43Å; R441-H486 PolarHBondContact NE-ND1 2.97Å; R441-H486 VanDerWaalsContact NH2-CA 3.33Å; R441-T487 PolarHBondContact NH1-O 3.45Å
442	Q	94	Very high	70.7	Confident	15 Å²	15	55.6 Å²	55.6	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.2	170.8	-173.9	170.4	-80.2	0	0	109.9	T60 Q413 P414 G415 C416	T60-Q442 PolarHBondContact OG1-NE2 3.11Å; Q413-Q442 HydrophobicContact CG-CG 3.77Å; P414-Q442 PolarHBondContact O-NE2 3.42Å; G415-Q442 WeakPolarHBondContact CA-O 3.48Å; C416-Q442 PolarHBondContact N-O 3.42Å; C416-Q442 PolarHBondContact O-N 3.18Å
443	L	95.7	Very high	73.8	Confident	25 Å²	25	47 Å²	47	13%	0.131	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-71.1	145.6	177.5	-65	-179.9	0	0	0	111.2	L389 Y392 Q413 R441	L389-L443 HydrophobicContact CD2-CD1 3.52Å; L389-L443 HydrophobicContact CD2-CD2 4.4Å; L389-L443 HydrophobicContact CG-CD1 4.01Å; L389-L443 HydrophobicContact CG-CD2 4.11Å; L389-L443 WeakPolarHBondContact O-CD2 3.29Å; Y392-L443 HydrophobicContact CD2-CD1 4.39Å; Y392-L443 HydrophobicContact CE2-CD1 3.67Å; Q413-L443 WeakPolarHBondContact CG-O 3.35Å; Q413-L443 PolarHBondContact NE2-O 2.76Å; R441-L443 PolarHBondContact O-N 3.2Å
444	A	97.8	Very high	76.6	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.6	174.3	0	0	0	0	0	110.7	L390 G391 Y392 Q413	L390-A444 PolarHBondContact O-N 3.13Å; L390-A444 VanDerWaalsContact O-N 3.13Å; G391-A444 CarbonylContact C-O 3.58Å; G391-A444 WeakPolarHBondContact CA-O 3.19Å; Y392-A444 PolarHBondContact N-O 3.37Å; Q413-A444 CarbonylContact O-C 3.55Å; Q413-A444 WeakPolarHBondContact O-CA 3.49Å
445	I	98.5	Very high	79.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.4	173.9	-50	179.8	0	0	0	110	C7 L9 Y392 Y394 L412 Q413 H482	C7-I445 HydrophobicContact CB-CD1 3.82Å; C7-I445 VanDerWaalsContact SG-CD1 3.51Å; L9-I445 HydrophobicContact CD1-CB 4.05Å; L9-I445 HydrophobicContact CD1-CD1 4.14Å; L9-I445 HydrophobicContact CD1-CG2 3.62Å; Y392-I445 HydrophobicContact CD2-CD1 4.02Å; Y392-I445 HydrophobicContact CD2-CG1 4.12Å; Y392-I445 VanDerWaalsContact O-CA 3.31Å; Y392-I445 WeakPolarHBondContact O-CA 3.45Å; Y394-I445 HydrophobicContact CD2-CG2 4.18Å; Y394-I445 HydrophobicContact CE2-CG2 3.79Å; L412-I445 WeakPolarHBondContact CA-O 3.08Å; L412-I445 WeakPolarHBondContact CB-O 3.3Å; L412-I445 PolarHBondContact N-O 3.32Å; Q413-I445 HydrophobicContact CB-CB 3.71Å; Q413-I445 HydrophobicContact CB-CD1 4.17Å; Q413-I445 HydrophobicContact CB-CG1 3.86Å; Q413-I445 PolarHBondContact N-O 2.99Å; Q413-I445 PolarHBondContact O-N 3.01Å; I445-H482 PolarHBondContact O-NE2 3.06Å; I445-H482 VanDerWaalsContact O-NE2 3.15Å
446	A	98.7	Very high	82.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.3	176.2	0	0	0	0	0	112.3	Y392 F393 Y394 V409 F410 L479 H482	Y392-A446 PolarHBondContact O-N 2.91Å; F393-A446 CarbonylContact C-O 3.06Å; F393-A446 WeakPolarHBondContact CA-O 3.44Å; Y394-A446 PolarHBondContact N-O 2.88Å; V409-A446 HydrophobicContact CG1-CB 3.97Å; F410-A446 CarbonylContact O-C 3.48Å; F410-A446 WeakPolarHBondContact O-CA 3.31Å; F410-A446 VanDerWaalsContact O-CB 3.32Å; F410-A446 WeakPolarHBondContact O-CB 3.36Å; A446-L479 HydrophobicContact CB-CD1 3.54Å; A446-H482 HydrophobicContact CB-CB 4.24Å
447	A	98.7	Very high	84.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.7	174.9	0	0	0	0	0	110.8	F67 W372 V409 F410 L412 V449	F67-A447 HydrophobicContact CE1-CB 4.05Å; F67-A447 HydrophobicContact CE2-CB 4.47Å; F67-A447 HydrophobicContact CZ-CB 3.65Å; W372-A447 HydrophobicContact CH2-CB 3.8Å; W372-A447 HydrophobicContact CZ2-CB 4.41Å; V409-A447 CarbonylContact C-O 3.51Å; V409-A447 VanDerWaalsContact CA-O 3.31Å; V409-A447 WeakPolarHBondContact CA-O 3.48Å; F410-A447 PolarHBondContact N-O 2.8Å; F410-A447 PolarHBondContact O-N 2.85Å; L412-A447 HydrophobicContact CD1-CB 3.74Å; L412-A447 HydrophobicContact CG-CB 4.41Å; A447-V449 HydrophobicContact CB-CG2 4.36Å
448	L	98.7	Very high	86.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.4	169.6	-176.8	157.3	0	0	0	108.4	Y394 L395 D396 L397 V409 T450 F472 E475 F476 L479	Y394-L448 PolarHBondContact O-N 2.83Å; L395-L448 HydrophobicContact CD2-CB 3.93Å; L395-L448 HydrophobicContact CD2-CD1 4.28Å; L395-L448 HydrophobicContact CD2-CD2 4.36Å; L395-L448 HydrophobicContact CD2-CG 4.44Å; D396-L448 PolarHBondContact N-O 2.77Å; L397-L448 HydrophobicContact CD2-CD2 3.59Å; V409-L448 HydrophobicContact CG2-CB 4.32Å; V409-L448 HydrophobicContact CG2-CG 4.39Å; L448-T450 HydrophobicContact CD2-CG2 3.57Å; L448-F472 HydrophobicContact CD1-CD2 4.08Å; L448-F472 HydrophobicContact CD1-CE2 3.96Å; L448-F472 HydrophobicContact CD2-CD2 4.33Å; L448-F472 HydrophobicContact CD2-CE2 4.09Å; L448-E475 HydrophobicContact CD1-CB 3.59Å; L448-E475 HydrophobicContact CD2-CB 4.43Å; L448-E475 HydrophobicContact CG-CB 3.73Å; L448-F476 HydrophobicContact CD1-CB 4.24Å; L448-F476 HydrophobicContact CD1-CD2 4.13Å; L448-L479 HydrophobicContact CD1-CD2 4.44Å
449	V	98.3	Very high	89.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.3	-175.1	-178.1	0	0	0	0	108.7	F67 I71 D396 A407 A408 F410 A447	F67-V449 HydrophobicContact CE2-CG2 4.02Å; F67-V449 HydrophobicContact CZ-CG2 3.75Å; I71-V449 HydrophobicContact CG2-CG1 4.3Å; I71-V449 HydrophobicContact CG2-CG2 4.17Å; D396-V449 HydrophobicContact CB-CG2 4.46Å; D396-V449 WeakPolarHBondContact O-CA 3.45Å; A407-V449 CarbonylContact C-O 3.58Å; A407-V449 VanDerWaalsContact CA-O 3.29Å; A407-V449 WeakPolarHBondContact CA-O 3.46Å; A408-V449 PolarHBondContact N-O 3.05Å; A408-V449 PolarHBondContact O-N 3.26Å; F410-V449 HydrophobicContact CD2-CB 4.28Å; F410-V449 HydrophobicContact CD2-CG2 3.78Å; F410-V449 HydrophobicContact CE2-CB 3.98Å; F410-V449 HydrophobicContact CE2-CG2 3.88Å; A447-V449 HydrophobicContact CB-CG2 4.36Å
450	T	97.2	Very high	91.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.			trans	-132.5	175	178.5	61.6	0	0	0	0	111.9	D396 L397 K403 A407 L448 F452 E475	D396-T450 PolarHBondContact O-N 2.67Å; L397-T450 CarbonylContact C-O 3.27Å; L397-T450 WeakPolarHBondContact CA-OG1 3.41Å; L397-T450 CarbonylContact O-C 3.37Å; L397-T450 VanDerWaalsContact O-C 3.27Å; L397-T450 PolarHBondContact O-OG1 3.49Å; K403-T450 PolarHBondContact NZ-O 3Å; A407-T450 HydrophobicContact CB-CG2 3.94Å; L448-T450 HydrophobicContact CD2-CG2 3.57Å; T450-F452 HydrophobicContact CG2-CD2 4.5Å; T450-F452 HydrophobicContact CG2-CE1 4.04Å; T450-F452 HydrophobicContact CG2-CE2 3.8Å; T450-F452 HydrophobicContact CG2-CZ 3.53Å; T450-F452 WeakPolarHBondContact OG1-CD2 3.17Å; T450-F452 VanDerWaalsContact OG1-CE2 3.23Å; T450-F452 WeakPolarHBondContact OG1-CE2 3.32Å; T450-E475 HydrophobicContact CG2-CG 4.25Å
451	N	94.6	Very high	91.7	Very high	16 Å²	16	41.7 Å²	41.7	9%	0.086	23%	0.229	C	C	.	.			trans	-129.3	47.4	177.8	-70.4	-84.2	0	0	0	110.2	P204 P399 Y404 G405 H406	P204-N451 VanDerWaalsContact CG-O 3.32Å; P204-N451 WeakPolarHBondContact CG-O 3.24Å; P399-N451 WeakPolarHBondContact CA-OD1 3.42Å; P399-N451 HydrophobicContact CB-CB 4.17Å; P399-N451 VanDerWaalsContact CB-OD1 3.28Å; P399-N451 WeakPolarHBondContact CB-OD1 3.34Å; Y404-N451 PolarHBondContact O-ND2 3.18Å; G405-N451 PolarHBondContact O-ND2 2.89Å; H406-N451 PolarHBondContact N-ND2 3.48Å; H406-N451 PolarHBondContact O-ND2 2.91Å
452	F	94	Very high	91.8	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.026	22%	0.219	C	C	.	.			trans	-65.1	157.2	179.7	-62.6	-35.2	0	0	0	111.3	L397 P399 T450 S454 L464 E468 T471 F472	L397-F452 HydrophobicContact CB-CD2 4.23Å; L397-F452 HydrophobicContact CD2-CD2 4.41Å; L397-F452 HydrophobicContact CD2-CE2 4.22Å; L397-F452 PolarHBondContact O-N 3.41Å; P399-F452 WeakPolarHBondContact CD-O 3.01Å; T450-F452 HydrophobicContact CG2-CD2 4.5Å; T450-F452 HydrophobicContact CG2-CE1 4.04Å; T450-F452 HydrophobicContact CG2-CE2 3.8Å; T450-F452 HydrophobicContact CG2-CZ 3.53Å; T450-F452 WeakPolarHBondContact OG1-CD2 3.17Å; T450-F452 VanDerWaalsContact OG1-CE2 3.23Å; T450-F452 WeakPolarHBondContact OG1-CE2 3.32Å; F452-S454 PolarHBondContact O-N 3.44Å; F452-L464 HydrophobicContact CB-CD2 3.73Å; F452-L464 HydrophobicContact CD2-CD2 4.33Å; F452-L464 HydrophobicContact CG-CD2 4.02Å; F452-E468 VanDerWaalsContact CA-OE1 3.24Å; F452-E468 WeakPolarHBondContact CA-OE1 3.33Å; F452-E468 HydrophobicContact CD1-CB 3.73Å; F452-E468 HydrophobicContact CD1-CG 4.07Å; F452-E468 HydrophobicContact CE1-CB 3.97Å; F452-E468 WeakPolarHBondContact CE1-O 3.38Å; F452-T471 HydrophobicContact CE1-CG2 3.98Å; F452-T471 HydrophobicContact CZ-CG2 4.35Å; F452-F472 HydrophobicContact CE2-CB 3.92Å; F452-F472 AromaticContact CE2-CD1 3.84Å; F452-F472 HydrophobicContact CE2-CD1 3.84Å; F452-F472 HydrophobicContact CE2-CD2 4.21Å; F452-F472 HydrophobicContact CE2-CE1 4.41Å; F452-F472 AromaticContact CE2-CG 3.74Å; F452-F472 HydrophobicContact CE2-CG 3.74Å; F452-F472 HydrophobicContact CZ-CB 3.64Å; F452-F472 HydrophobicContact CZ-CD1 4.44Å; F452-F472 HydrophobicContact CZ-CD2 4.49Å; F452-F472 AromaticContact CZ-CG 3.97Å; F452-F472 HydrophobicContact CZ-CG 3.97Å
453	T	90.5	Very high	91.8	Very high	22 Å²	22	40.2 Å²	40.2	14%	0.135	23%	0.226	C	C	.	.			trans	-43.8	124.5	173.3	-60.2	0	0	0	0	110	C462 E468	T453-C462 PolarHBondContact O-SG 3.39Å; T453-E468 PolarHBondContact N-OE1 2.88Å; T453-E468 PolarHBondContact OG1-OE1 3.45Å; T453-E468 PolarHBondContact OG1-OE2 3.5Å
454	S	87.2	Confident	91.7	Very high	57 Å²	57	39 Å²	39	40%	0.399	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-70.6	157.6	179.6	-59.8	0	0	0	0	111.8	F452	F452-S454 PolarHBondContact O-N 3.44Å
455	P	87.4	Confident	91.5	Very high	48 Å²	48	39.8 Å²	39.8	31%	0.312	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-56.8	144.3	172.7	-20.5	30.4	0	0	0	112.4	K457 Q461 C462	P455-K457 PolarHBondContact O-N 3.21Å; P455-Q461 WeakPolarHBondContact CA-O 3.37Å; P455-C462 HydrophobicContact CB-CB 4.1Å; P455-C462 HydrophobicContact CG-CB 4Å
456	D	84.9	Confident	91.3	Very high	49 Å²	49	40.4 Å²	40.4	26%	0.262	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-61.5	133.5	171.9	170.7	-95.9	0	0	0	110.5	N458 T459 G460 Q461	D456-N458 VanDerWaalsContact C-N 3.25Å; D456-N458 PolarHBondContact O-N 2.84Å; D456-N458 WeakPolarHBondContact OD1-CB 3.15Å; D456-N458 PolarHBondContact OD1-N 3.46Å; D456-T459 WeakPolarHBondContact CB-OG1 3.28Å; D456-T459 WeakPolarHBondContact OD1-CB 3.38Å; D456-T459 WeakPolarHBondContact OD1-CG2 3.32Å; D456-T459 PolarHBondContact OD1-N 2.86Å; D456-T459 PolarHBondContact OD1-OG1 3.42Å; D456-G460 VanDerWaalsContact O-CA 3.24Å; D456-G460 WeakPolarHBondContact O-CA 3.49Å; D456-G460 PolarHBondContact O-N 3.15Å; D456-Q461 PolarHBondContact N-O 3.32Å
457	K	80.2	Confident	91	Very high	155 Å²	155	43.4 Å²	43.4	67%	0.674	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-26	-172.1	-70	175.2	178.3	162.2	0	113.5	G188 P455	G188-K457 PolarHBondContact O-NZ 3.35Å; P455-K457 PolarHBondContact O-N 3.21Å
458	N	81.9	Confident	90.9	Very high	149 Å²	149	44 Å²	44	80%	0.797	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-38.6	-174.4	-61.5	-43.9	0	0	0	111.8	D456	D456-N458 VanDerWaalsContact C-N 3.25Å; D456-N458 PolarHBondContact O-N 2.84Å; D456-N458 WeakPolarHBondContact OD1-CB 3.15Å; D456-N458 PolarHBondContact OD1-N 3.46Å
459	T	84.8	Confident	90.8	Very high	84 Å²	84	44 Å²	44	52%	0.515	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-19.3	-174.6	62.4	0	0	0	0	113.2	D456 Q461	D456-T459 WeakPolarHBondContact CB-OG1 3.28Å; D456-T459 WeakPolarHBondContact OD1-CB 3.38Å; D456-T459 WeakPolarHBondContact OD1-CG2 3.32Å; D456-T459 PolarHBondContact OD1-N 2.86Å; D456-T459 PolarHBondContact OD1-OG1 3.42Å; T459-Q461 PolarHBondContact O-N 3.28Å; T459-Q461 PolarHBondContact OG1-N 3.27Å
460	G	85.6	Confident	90.8	Very high	55 Å²	55	45 Å²	45	57%	0.567	25%	0.249	S	C	*	.			trans	67.9	4.1	-171.2	0	0	0	0	0	113.9	D456	D456-G460 VanDerWaalsContact O-CA 3.24Å; D456-G460 WeakPolarHBondContact O-CA 3.49Å; D456-G460 PolarHBondContact O-N 3.15Å
461	Q	87.8	Confident	90.8	Very high	111 Å²	111	47.1 Å²	47.1	52%	0.519	26%	0.262	S	S	.	.			trans	-83.1	137.1	-179	-63.7	-172.9	-58.6	0	0	110.7	P455 D456 T459 F463	P455-Q461 WeakPolarHBondContact CA-O 3.37Å; D456-Q461 PolarHBondContact N-O 3.32Å; T459-Q461 PolarHBondContact O-N 3.28Å; T459-Q461 PolarHBondContact OG1-N 3.27Å; Q461-F463 HydrophobicContact CB-CD2 4.3Å; Q461-F463 HydrophobicContact CB-CE2 3.63Å; Q461-F463 HydrophobicContact CB-CZ 4.35Å
462	C	92	Very high	91	Very high	15 Å²	15	46.4 Å²	46.4	10%	0.101	26%	0.258	C	S	.	.			trans	-118.4	125.7	177.8	-175.5	0	0	0	0	109.4	P343 L344 T453 P455	P343-C462 CarbonylContact C-O 3.43Å; P343-C462 WeakPolarHBondContact CA-O 3.43Å; L344-C462 HydrophobicContact CB-CB 3.88Å; L344-C462 HydrophobicContact CD2-CB 4.07Å; L344-C462 VanDerWaalsContact CD2-SG 3.58Å; L344-C462 PolarHBondContact N-O 3.22Å; T453-C462 PolarHBondContact O-SG 3.39Å; P455-C462 HydrophobicContact CB-CB 4.1Å; P455-C462 HydrophobicContact CG-CB 4Å
463	F	93.2	Very high	91.2	Very high	51 Å²	51	46.2 Å²	46.2	22%	0.224	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-125.1	139	177.9	-62.6	-94.6	0	0	0	109.7	K339 K340 F342 P343 Q461	K339-F463 HydrophobicContact CD-CB 4.28Å; K339-F463 WeakPolarHBondContact CE-O 3.49Å; K339-F463 HydrophobicContact CG-CB 3.59Å; K340-F463 WeakPolarHBondContact O-CE1 3.19Å; F342-F463 WeakPolarHBondContact O-CA 3.49Å; P343-F463 HydrophobicContact CB-CD1 4.12Å; P343-F463 HydrophobicContact CB-CE1 4.11Å; P343-F463 HydrophobicContact CG-CD1 4.05Å; P343-F463 HydrophobicContact CG-CE1 3.84Å; Q461-F463 HydrophobicContact CB-CD2 4.3Å; Q461-F463 HydrophobicContact CB-CE2 3.63Å; Q461-F463 HydrophobicContact CB-CZ 4.35Å
464	L	94.5	Very high	91.5	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.			trans	-98.9	142.2	-177.6	-62.3	-175.3	0	0	0	111	F342 L344 V347 F452 E468 V469 F472	F342-L464 HydrophobicContact CB-CB 4.35Å; F342-L464 WeakPolarHBondContact CB-O 3.37Å; F342-L464 PolarHBondContact O-N 2.89Å; L344-L464 HydrophobicContact CB-CG 4.31Å; L344-L464 HydrophobicContact CD1-CD1 3.8Å; L344-L464 HydrophobicContact CD1-CD2 4.27Å; L344-L464 HydrophobicContact CD1-CG 4.21Å; V347-L464 HydrophobicContact CB-CD1 4.33Å; V347-L464 HydrophobicContact CG1-CD1 4.06Å; F452-L464 HydrophobicContact CB-CD2 3.73Å; F452-L464 HydrophobicContact CD2-CD2 4.33Å; F452-L464 HydrophobicContact CG-CD2 4.02Å; L464-E468 WeakPolarHBondContact CA-OE2 3.26Å; L464-E468 HydrophobicContact CB-CB 4.15Å; L464-E468 HydrophobicContact CD2-CB 4.25Å; L464-V469 HydrophobicContact CB-CG2 3.8Å; L464-V469 HydrophobicContact CD1-CG2 4.12Å; L464-F472 HydrophobicContact CD1-CD1 4.44Å
465	F	93	Very high	92.1	Very high	18 Å²	18	44 Å²	44	8%	0.079	24%	0.239	C	C	.	.			trans	-68.4	152.8	160.4	-68.1	-78.1	0	0	0	110	E335 K339 H467 E468 V469	E335-F465 HydrophobicContact CB-CD1 4.18Å; K339-F465 HydrophobicContact CB-CD1 4.29Å; K339-F465 HydrophobicContact CB-CE1 4.4Å; K339-F465 HydrophobicContact CD-CD1 4.31Å; K339-F465 HydrophobicContact CD-CD2 4.46Å; K339-F465 HydrophobicContact CD-CE1 3.96Å; K339-F465 HydrophobicContact CD-CE2 4.12Å; K339-F465 HydrophobicContact CD-CZ 3.87Å; F465-H467 WeakPolarHBondContact CB-CE1 3.35Å; F465-H467 WeakPolarHBondContact CB-ND1 3.24Å; F465-H467 AromaticContact CG-CE1 3.8Å; F465-H467 PolarHBondContact O-N 2.99Å; F465-H467 VanDerWaalsContact O-N 3.17Å; F465-E468 HydrophobicContact CB-CG 4.28Å; F465-E468 WeakPolarHBondContact CD2-OE2 3.44Å; F465-E468 PolarHBondContact N-OE2 3.48Å; F465-E468 WeakPolarHBondContact O-CA 3.27Å; F465-E468 WeakPolarHBondContact O-CB 3.48Å; F465-E468 PolarHBondContact O-N 3.33Å; F465-V469 PolarHBondContact O-N 3.32Å; F465-V469 VanDerWaalsContact O-N 3.13Å
466	H	94.4	Very high	92.6	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.06	22%	0.224	C	C	.	.	H	α-helix	trans	-55.7	-37.6	-179.2	178.7	-95.8	0	0	0	112.9	F342 E468 V469 V470 V513 W514 L538	F342-H466 HydrophobicContact CE2-CB 4.39Å; F342-H466 AromaticContact CZ-CD2 3.94Å; H466-E468 VanDerWaalsContact C-N 3.29Å; H466-E468 PolarHBondContact O-N 3.08Å; H466-V469 WeakPolarHBondContact O-CA 3.29Å; H466-V469 WeakPolarHBondContact O-CB 3.37Å; H466-V469 PolarHBondContact O-N 3.27Å; H466-V469 VanDerWaalsContact O-N 3.09Å; H466-V470 WeakPolarHBondContact O-CG2 3.49Å; H466-V470 PolarHBondContact O-N 2.81Å; H466-V513 PolarHBondContact NE2-O 3.21Å; H466-W514 AromaticContact CE1-CD2 3.93Å; H466-W514 AromaticContact CE1-CE2 3.73Å; H466-W514 AromaticContact CE1-CE3 3.81Å; H466-W514 AromaticContact CE1-CH2 3.37Å; H466-W514 WeakPolarHBondContact CE1-CH2 3.34Å; H466-W514 AromaticContact CE1-CZ2 3.48Å; H466-W514 VanDerWaalsContact CE1-CZ2 3.48Å; H466-W514 WeakPolarHBondContact CE1-CZ2 3.45Å; H466-W514 AromaticContact CE1-CZ3 3.54Å; H466-W514 AromaticContact ND1-CH2 3.71Å; H466-W514 AromaticContact ND1-CZ2 3.98Å; H466-L538 HydrophobicContact CB-CD1 4.33Å
467	H	93.2	Very high	93.2	Very high	62 Å²	62	39.4 Å²	39.4	29%	0.287	21%	0.212	S	C	.	.	H	α-helix	trans	-65.2	-30.5	176.1	70.8	-95.1	0	0	0	113.1	F465 V469 V470 T471	F465-H467 WeakPolarHBondContact CB-CE1 3.35Å; F465-H467 WeakPolarHBondContact CB-ND1 3.24Å; F465-H467 AromaticContact CG-CE1 3.8Å; F465-H467 PolarHBondContact O-N 2.99Å; F465-H467 VanDerWaalsContact O-N 3.17Å; H467-V469 VanDerWaalsContact C-N 3.34Å; H467-V470 WeakPolarHBondContact O-CB 3.49Å; H467-V470 PolarHBondContact O-N 3Å; H467-T471 PolarHBondContact O-N 3Å; H467-T471 PolarHBondContact O-OG1 2.59Å; H467-T471 VanDerWaalsContact O-OG1 3.06Å
468	E	95.3	Very high	94.1	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-71.2	-34.7	173.1	-61.5	179	108.9	0	0	110.7	F452 T453 L464 F465 H466 T471 F472	F452-E468 VanDerWaalsContact CA-OE1 3.24Å; F452-E468 WeakPolarHBondContact CA-OE1 3.33Å; F452-E468 HydrophobicContact CD1-CB 3.73Å; F452-E468 HydrophobicContact CD1-CG 4.07Å; F452-E468 HydrophobicContact CE1-CB 3.97Å; F452-E468 WeakPolarHBondContact CE1-O 3.38Å; T453-E468 PolarHBondContact N-OE1 2.88Å; T453-E468 PolarHBondContact OG1-OE1 3.45Å; T453-E468 PolarHBondContact OG1-OE2 3.5Å; L464-E468 WeakPolarHBondContact CA-OE2 3.26Å; L464-E468 HydrophobicContact CB-CB 4.15Å; L464-E468 HydrophobicContact CD2-CB 4.25Å; F465-E468 HydrophobicContact CB-CG 4.28Å; F465-E468 WeakPolarHBondContact CD2-OE2 3.44Å; F465-E468 PolarHBondContact N-OE2 3.48Å; F465-E468 WeakPolarHBondContact O-CA 3.27Å; F465-E468 WeakPolarHBondContact O-CB 3.48Å; F465-E468 PolarHBondContact O-N 3.33Å; H466-E468 VanDerWaalsContact C-N 3.29Å; H466-E468 PolarHBondContact O-N 3.08Å; E468-T471 PolarHBondContact O-N 3.15Å; E468-F472 PolarHBondContact O-N 3.35Å
469	V	97.3	Very high	94.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-42.9	172.2	-173.4	0	0	0	0	110.6	F342 V347 L464 F465 H466 H467 T471 F472 F473 V513 L522	F342-V469 HydrophobicContact CB-CG2 3.97Å; F342-V469 HydrophobicContact CD1-CG2 3.9Å; F342-V469 HydrophobicContact CG-CG2 3.95Å; V347-V469 HydrophobicContact CG1-CG1 3.84Å; V347-V469 HydrophobicContact CG1-CG2 4.24Å; V347-V469 HydrophobicContact CG2-CG2 4.15Å; L464-V469 HydrophobicContact CB-CG2 3.8Å; L464-V469 HydrophobicContact CD1-CG2 4.12Å; F465-V469 PolarHBondContact O-N 3.32Å; F465-V469 VanDerWaalsContact O-N 3.13Å; H466-V469 WeakPolarHBondContact O-CA 3.29Å; H466-V469 WeakPolarHBondContact O-CB 3.37Å; H466-V469 PolarHBondContact O-N 3.27Å; H466-V469 VanDerWaalsContact O-N 3.09Å; H467-V469 VanDerWaalsContact C-N 3.34Å; V469-T471 PolarHBondContact O-N 3.39Å; V469-F472 PolarHBondContact O-N 3.44Å; V469-F473 HydrophobicContact CG1-CD2 4.26Å; V469-F473 HydrophobicContact CG1-CE2 4.24Å; V469-F473 WeakPolarHBondContact O-CD2 3.4Å; V469-F473 PolarHBondContact O-N 3.47Å; V469-V513 HydrophobicContact CG1-CG1 3.91Å; V469-L522 HydrophobicContact CG1-CD2 3.84Å
470	V	97.4	Very high	95.5	Very high	21 Å²	21	21.6 Å²	21.6	13%	0.127	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-50.1	171.7	177	0	0	0	0	110.5	H466 H467 F472 F473 H474 E510 V513 W514	H466-V470 WeakPolarHBondContact O-CG2 3.49Å; H466-V470 PolarHBondContact O-N 2.81Å; H467-V470 WeakPolarHBondContact O-CB 3.49Å; H467-V470 PolarHBondContact O-N 3Å; V470-F472 VanDerWaalsContact C-N 3.29Å; V470-F472 PolarHBondContact O-N 3.28Å; V470-F473 PolarHBondContact O-N 3.37Å; V470-H474 PolarHBondContact O-N 3.13Å; V470-E510 HydrophobicContact CG1-CB 4.14Å; V470-E510 HydrophobicContact CG1-CG 3.96Å; V470-V513 HydrophobicContact CB-CG2 4.33Å; V470-V513 HydrophobicContact CG2-CG2 3.42Å; V470-V513 VanDerWaalsContact CG2-CG2 3.42Å; V470-W514 HydrophobicContact CG2-CZ2 4.17Å
471	T	97.7	Very high	96.1	Very high	44 Å²	44	19 Å²	19	27%	0.27	9%	0.094	S	C	.	.	H	α-helix	trans	-59.7	-38.9	177	-60.8	0	0	0	0	111.9	A407 F452 H467 E468 V469 F473 H474 E475	A407-T471 HydrophobicContact CB-CG2 3.46Å; A407-T471 VanDerWaalsContact CB-CG2 3.46Å; F452-T471 HydrophobicContact CE1-CG2 3.98Å; F452-T471 HydrophobicContact CZ-CG2 4.35Å; H467-T471 PolarHBondContact O-N 3Å; H467-T471 PolarHBondContact O-OG1 2.59Å; H467-T471 VanDerWaalsContact O-OG1 3.06Å; E468-T471 PolarHBondContact O-N 3.15Å; V469-T471 PolarHBondContact O-N 3.39Å; T471-F473 VanDerWaalsContact C-N 3.35Å; T471-F473 PolarHBondContact O-N 2.91Å; T471-H474 WeakPolarHBondContact O-CB 3.49Å; T471-H474 PolarHBondContact O-N 2.89Å; T471-E475 HydrophobicContact CG2-CG 4.28Å; T471-E475 WeakPolarHBondContact O-CG 3.46Å; T471-E475 PolarHBondContact O-N 3.34Å
472	F	98.2	Very high	96.6	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-64.4	-41.5	177.8	-157	173.2	0	0	0	111.2	L344 V347 K348 I351 L397 L448 F452 L464 E468 V469 V470 F476	L344-F472 HydrophobicContact CD1-CE1 4.18Å; V347-F472 HydrophobicContact CG1-CD1 4.08Å; K348-F472 HydrophobicContact CB-CE1 4.14Å; K348-F472 HydrophobicContact CB-CZ 4.48Å; K348-F472 HydrophobicContact CG-CE1 4.48Å; K348-F472 HydrophobicContact CG-CZ 4.33Å; I351-F472 HydrophobicContact CD1-CB 3.67Å; I351-F472 HydrophobicContact CD1-CD1 3.43Å; I351-F472 VanDerWaalsContact CD1-CD1 3.43Å; I351-F472 HydrophobicContact CD1-CD2 3.94Å; I351-F472 HydrophobicContact CD1-CE1 4Å; I351-F472 HydrophobicContact CD1-CE2 4.44Å; I351-F472 HydrophobicContact CD1-CG 3.38Å; I351-F472 HydrophobicContact CD1-CZ 4.47Å; L397-F472 HydrophobicContact CD1-CE1 4.34Å; L397-F472 HydrophobicContact CD1-CZ 4.14Å; L397-F472 HydrophobicContact CD2-CE2 4.22Å; L397-F472 HydrophobicContact CD2-CZ 4.09Å; L448-F472 HydrophobicContact CD1-CD2 4.08Å; L448-F472 HydrophobicContact CD1-CE2 3.96Å; L448-F472 HydrophobicContact CD2-CD2 4.33Å; L448-F472 HydrophobicContact CD2-CE2 4.09Å; F452-F472 HydrophobicContact CE2-CB 3.92Å; F452-F472 AromaticContact CE2-CD1 3.84Å; F452-F472 HydrophobicContact CE2-CD1 3.84Å; F452-F472 HydrophobicContact CE2-CD2 4.21Å; F452-F472 HydrophobicContact CE2-CE1 4.41Å; F452-F472 AromaticContact CE2-CG 3.74Å; F452-F472 HydrophobicContact CE2-CG 3.74Å; F452-F472 HydrophobicContact CZ-CB 3.64Å; F452-F472 HydrophobicContact CZ-CD1 4.44Å; F452-F472 HydrophobicContact CZ-CD2 4.49Å; F452-F472 AromaticContact CZ-CG 3.97Å; F452-F472 HydrophobicContact CZ-CG 3.97Å; L464-F472 HydrophobicContact CD1-CD1 4.44Å; E468-F472 PolarHBondContact O-N 3.35Å; V469-F472 PolarHBondContact O-N 3.44Å; V470-F472 VanDerWaalsContact C-N 3.29Å; V470-F472 PolarHBondContact O-N 3.28Å; F472-F476 HydrophobicContact CE2-CD2 4.27Å; F472-F476 WeakPolarHBondContact O-CB 3.32Å; F472-F476 PolarHBondContact O-N 3.12Å
473	F	98.2	Very high	96.9	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-62.1	-42.1	172	-89.9	-96.1	0	0	0	112.6	I351 L354 Y355 V469 V470 T471 F476 G477 L509 W512 V513 L522	I351-F473 HydrophobicContact CD1-CD2 3.88Å; I351-F473 HydrophobicContact CD1-CE2 3.92Å; I351-F473 HydrophobicContact CG1-CD2 3.94Å; I351-F473 HydrophobicContact CG1-CE2 3.53Å; I351-F473 HydrophobicContact CG1-CZ 3.88Å; L354-F473 HydrophobicContact CD1-CE1 4.1Å; L354-F473 HydrophobicContact CD1-CZ 3.69Å; Y355-F473 HydrophobicContact CE2-CD1 4.08Å; Y355-F473 HydrophobicContact CE2-CE1 4.33Å; Y355-F473 PolarHBondContact OH-O 3.47Å; V469-F473 HydrophobicContact CG1-CD2 4.26Å; V469-F473 HydrophobicContact CG1-CE2 4.24Å; V469-F473 WeakPolarHBondContact O-CD2 3.4Å; V469-F473 PolarHBondContact O-N 3.47Å; V470-F473 PolarHBondContact O-N 3.37Å; T471-F473 VanDerWaalsContact C-N 3.35Å; T471-F473 PolarHBondContact O-N 2.91Å; F473-F476 PolarHBondContact O-N 2.93Å; F473-G477 PolarHBondContact O-N 3.24Å; F473-L509 VanDerWaalsContact CD1-O 3.28Å; F473-L509 WeakPolarHBondContact CD1-O 3.46Å; F473-W512 HydrophobicContact CD1-CB 4.29Å; F473-W512 HydrophobicContact CE1-CB 3.68Å; F473-W512 HydrophobicContact CE1-CG 4.19Å; F473-W512 HydrophobicContact CZ-CB 4.09Å; F473-V513 HydrophobicContact CD2-CG1 3.32Å; F473-V513 HydrophobicContact CE2-CG1 3.38Å; F473-V513 HydrophobicContact CG-CG1 3.99Å; F473-V513 HydrophobicContact CZ-CG1 4.1Å; F473-L522 HydrophobicContact CE2-CD1 3.82Å; F473-L522 HydrophobicContact CE2-CD2 3.93Å; F473-L522 HydrophobicContact CE2-CG 4.45Å; F473-L522 HydrophobicContact CZ-CD1 3.97Å; F473-L522 HydrophobicContact CZ-CD2 4.42Å
474	H	98.3	Very high	97.2	Very high	19 Å²	19	11.5 Å²	11.5	9%	0.088	6%	0.059	C	C	.	.	H	α-helix	trans	-56.5	-58.6	177.2	-177.8	100.2	0	0	0	111.2	V470 T471 F476 G477 H478 E503 S506 E510	V470-H474 PolarHBondContact O-N 3.13Å; T471-H474 WeakPolarHBondContact O-CB 3.49Å; T471-H474 PolarHBondContact O-N 2.89Å; H474-F476 VanDerWaalsContact C-N 3.32Å; H474-F476 PolarHBondContact O-N 3.26Å; H474-G477 WeakPolarHBondContact O-CA 3.36Å; H474-G477 PolarHBondContact O-N 2.87Å; H474-H478 AromaticContact CD2-CD2 3.77Å; H474-H478 AromaticContact CD2-NE2 3.94Å; H474-H478 AromaticContact NE2-CD2 3.58Å; H474-H478 AromaticContact NE2-NE2 3.25Å; H474-H478 PolarHBondContact NE2-NE2 3.13Å; H474-H478 PolarHBondContact O-N 3.43Å; H474-E503 IonicContact CE1-OE2 3.87Å; H474-E503 PolarHBondContact CE1-OE2 3Å; H474-E503 IonicContact NE2-OE2 2.71Å; H474-E503 PolarHBondContact NE2-OE2 3.01Å; H474-S506 PolarHBondContact CE1-OG 3.26Å; H474-S506 VanDerWaalsContact CE1-OG 3.29Å; H474-S506 WeakPolarHBondContact O-CB 3.4Å; H474-E510 HydrophobicContact CB-CG 3.98Å; H474-E510 IonicContact CE1-OE1 3.67Å; H474-E510 IonicContact CG-OE1 3.67Å; H474-E510 IonicContact ND1-OE1 3.34Å; H474-E510 PolarHBondContact ND1-OE1 3Å
475	E	98.6	Very high	97.3	Very high	14 Å²	14	11.8 Å²	11.8	7%	0.065	6%	0.06	C	C	.	.	H	α-helix	trans	-65.4	-37	-177.7	-59.3	-48.8	148.5	0	0	111.7	A407 A408 V409 L448 T450 T471 G477 H478 L479	A407-E475 HydrophobicContact CB-CG 3.86Å; A407-E475 WeakPolarHBondContact CB-OE1 3.47Å; A408-E475 VanDerWaalsContact C-OE2 3.29Å; A408-E475 VanDerWaalsContact CA-OE2 3.22Å; A408-E475 WeakPolarHBondContact CA-OE2 3.47Å; V409-E475 HydrophobicContact CG2-CB 4.06Å; V409-E475 WeakPolarHBondContact CG2-O 3.06Å; V409-E475 PolarHBondContact N-OE2 2.64Å; L448-E475 HydrophobicContact CD1-CB 3.59Å; L448-E475 HydrophobicContact CD2-CB 4.43Å; L448-E475 HydrophobicContact CG-CB 3.73Å; T450-E475 HydrophobicContact CG2-CG 4.25Å; T471-E475 HydrophobicContact CG2-CG 4.28Å; T471-E475 WeakPolarHBondContact O-CG 3.46Å; T471-E475 PolarHBondContact O-N 3.34Å; E475-G477 PolarHBondContact O-N 2.87Å; E475-H478 PolarHBondContact O-N 2.76Å; E475-H478 IonicContact OE2-CD2 3.12Å; E475-L479 WeakPolarHBondContact O-CB 3.45Å; E475-L479 PolarHBondContact O-N 2.95Å
476	F	98.4	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.5	-26.5	175.8	-151.9	-82.4	0	0	0	111.8	I351 L352 Y355 F363 F393 L448 F472 F473 H474 L479 M480	I351-F476 HydrophobicContact CG2-CB 4.12Å; I351-F476 HydrophobicContact CG2-CD1 4.06Å; I351-F476 HydrophobicContact CG2-CD2 3.64Å; I351-F476 HydrophobicContact CG2-CE1 4.4Å; I351-F476 HydrophobicContact CG2-CE2 4.03Å; I351-F476 HydrophobicContact CG2-CG 3.66Å; I351-F476 HydrophobicContact CG2-CZ 4.39Å; L352-F476 HydrophobicContact CD2-CE2 3.85Å; L352-F476 HydrophobicContact CD2-CZ 3.81Å; Y355-F476 AromaticContact CD1-CD1 3.76Å; Y355-F476 HydrophobicContact CD1-CD1 3.76Å; Y355-F476 HydrophobicContact CD1-CE1 4Å; Y355-F476 AromaticContact CD2-CD1 3.24Å; Y355-F476 HydrophobicContact CD2-CD1 3.24Å; Y355-F476 AromaticContact CD2-CE1 3.6Å; Y355-F476 HydrophobicContact CD2-CE1 3.6Å; Y355-F476 HydrophobicContact CD2-CG 4.06Å; Y355-F476 AromaticContact CE1-CD1 3.8Å; Y355-F476 HydrophobicContact CE1-CD1 3.8Å; Y355-F476 HydrophobicContact CE1-CE1 4.49Å; Y355-F476 HydrophobicContact CE2-CB 3.85Å; Y355-F476 AromaticContact CE2-CD1 3.33Å; Y355-F476 HydrophobicContact CE2-CD1 3.33Å; Y355-F476 HydrophobicContact CE2-CE1 4.18Å; Y355-F476 AromaticContact CE2-CG 3.86Å; Y355-F476 HydrophobicContact CE2-CG 3.86Å; Y355-F476 AromaticContact CG-CD1 3.43Å; Y355-F476 HydrophobicContact CG-CD1 3.43Å; Y355-F476 VanDerWaalsContact CG-CD1 3.43Å; Y355-F476 AromaticContact CG-CE1 3.46Å; Y355-F476 HydrophobicContact CG-CE1 3.46Å; Y355-F476 VanDerWaalsContact CG-CE1 3.46Å; Y355-F476 AromaticContact CZ-CD1 3.59Å; F363-F476 HydrophobicContact CD2-CZ 4.42Å; F363-F476 AromaticContact CE2-CE1 3.93Å; F363-F476 HydrophobicContact CE2-CE1 3.93Å; F363-F476 AromaticContact CE2-CZ 3.72Å; F363-F476 HydrophobicContact CE2-CZ 3.72Å; F363-F476 HydrophobicContact CZ-CE1 4.14Å; F363-F476 HydrophobicContact CZ-CZ 4.2Å; F393-F476 HydrophobicContact CE1-CZ 4.43Å; F393-F476 HydrophobicContact CE2-CE2 4.2Å; F393-F476 HydrophobicContact CZ-CE2 4.19Å; F393-F476 HydrophobicContact CZ-CZ 4.09Å; L448-F476 HydrophobicContact CD1-CB 4.24Å; L448-F476 HydrophobicContact CD1-CD2 4.13Å; F472-F476 HydrophobicContact CE2-CD2 4.27Å; F472-F476 WeakPolarHBondContact O-CB 3.32Å; F472-F476 PolarHBondContact O-N 3.12Å; F473-F476 PolarHBondContact O-N 2.93Å; H474-F476 VanDerWaalsContact C-N 3.32Å; H474-F476 PolarHBondContact O-N 3.26Å; F476-L479 HydrophobicContact CD2-CD2 3.88Å; F476-L479 HydrophobicContact CE2-CD2 3.78Å; F476-L479 HydrophobicContact CG-CD2 4.35Å; F476-L479 HydrophobicContact CZ-CD2 4.16Å; F476-L479 WeakPolarHBondContact O-CB 3.43Å; F476-L479 PolarHBondContact O-N 2.88Å; F476-M480 HydrophobicContact CD1-CE 4.21Å; F476-M480 HydrophobicContact CD1-CG 3.7Å; F476-M480 HydrophobicContact CD1-SD 4.41Å; F476-M480 HydrophobicContact CE1-CE 3.55Å; F476-M480 HydrophobicContact CE1-CG 3.64Å; F476-M480 HydrophobicContact CE1-SD 3.76Å; F476-M480 HydrophobicContact CZ-CE 3.87Å; F476-M480 WeakPolarHBondContact O-CG 3.49Å; F476-M480 PolarHBondContact O-N 2.89Å
477	G	98	Very high	97.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.2	-45.1	172.3	0	0	0	0	0	113.2	Y355 F473 H474 E475 L479 M480 H481	Y355-G477 WeakPolarHBondContact OH-CA 3.47Å; Y355-G477 PolarHBondContact OH-N 3.12Å; Y355-G477 VanDerWaalsContact OH-N 3.17Å; F473-G477 PolarHBondContact O-N 3.24Å; H474-G477 WeakPolarHBondContact O-CA 3.36Å; H474-G477 PolarHBondContact O-N 2.87Å; E475-G477 PolarHBondContact O-N 2.87Å; G477-L479 VanDerWaalsContact C-N 3.29Å; G477-L479 PolarHBondContact O-N 3.12Å; G477-M480 PolarHBondContact O-N 2.97Å; G477-H481 WeakPolarHBondContact O-CB 3.31Å; G477-H481 PolarHBondContact O-N 2.94Å
478	H	98.3	Very high	97.6	Very high	15 Å²	15	14.9 Å²	14.9	7%	0.069	8%	0.075	C	C	.	.	H	α-helix	trans	-59.2	-42.5	170.7	-75.8	-46.5	0	0	0	111.5	V409 H474 E475 M480 H481 H482 V502 E503 S506	V409-H478 HydrophobicContact CB-CB 3.88Å; V409-H478 HydrophobicContact CG1-CB 4.49Å; V409-H478 HydrophobicContact CG2-CB 3.75Å; H474-H478 AromaticContact CD2-CD2 3.77Å; H474-H478 AromaticContact CD2-NE2 3.94Å; H474-H478 AromaticContact NE2-CD2 3.58Å; H474-H478 AromaticContact NE2-NE2 3.25Å; H474-H478 PolarHBondContact NE2-NE2 3.13Å; H474-H478 PolarHBondContact O-N 3.43Å; E475-H478 PolarHBondContact O-N 2.76Å; E475-H478 IonicContact OE2-CD2 3.12Å; H478-M480 PolarHBondContact O-N 3.38Å; H478-H481 WeakPolarHBondContact O-CB 3.18Å; H478-H481 PolarHBondContact O-N 3.37Å; H478-H482 PolarHBondContact O-N 3.06Å; H478-V502 PolarHBondContact CE1-O 2.98Å; H478-V502 VanDerWaalsContact CE1-O 3.27Å; H478-E503 IonicContact CE1-OE1 3.99Å; H478-E503 PolarHBondContact CE1-OE1 3.3Å; H478-E503 IonicContact NE2-OE1 2.75Å; H478-E503 PolarHBondContact NE2-OE1 3.41Å; H478-E503 VanDerWaalsContact NE2-OE1 3.13Å; H478-E503 IonicContact NE2-OE2 3.46Å; H478-S506 PolarHBondContact CE1-OG 3.01Å; H478-S506 PolarHBondContact NE2-OG 2.85Å
479	L	98.6	Very high	97.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.7	-45.6	177.6	-172.8	74.2	0	0	0	112	F393 V409 A446 L448 E475 F476 G477 H482 V483	F393-L479 HydrophobicContact CB-CD1 3.61Å; F393-L479 HydrophobicContact CB-CD2 3.81Å; F393-L479 HydrophobicContact CB-CG 4.02Å; F393-L479 HydrophobicContact CD1-CD2 4.16Å; F393-L479 HydrophobicContact CD2-CD2 3.76Å; F393-L479 HydrophobicContact CE2-CD2 4.34Å; F393-L479 HydrophobicContact CG-CD1 4.41Å; F393-L479 HydrophobicContact CG-CD2 3.66Å; F393-L479 HydrophobicContact CG-CG 4.35Å; V409-L479 HydrophobicContact CG1-CB 4.41Å; V409-L479 HydrophobicContact CG1-CD1 4.09Å; V409-L479 HydrophobicContact CG2-CB 4.1Å; A446-L479 HydrophobicContact CB-CD1 3.54Å; L448-L479 HydrophobicContact CD1-CD2 4.44Å; E475-L479 WeakPolarHBondContact O-CB 3.45Å; E475-L479 PolarHBondContact O-N 2.95Å; F476-L479 HydrophobicContact CD2-CD2 3.88Å; F476-L479 HydrophobicContact CE2-CD2 3.78Å; F476-L479 HydrophobicContact CG-CD2 4.35Å; F476-L479 HydrophobicContact CZ-CD2 4.16Å; F476-L479 WeakPolarHBondContact O-CB 3.43Å; F476-L479 PolarHBondContact O-N 2.88Å; G477-L479 VanDerWaalsContact C-N 3.29Å; G477-L479 PolarHBondContact O-N 3.12Å; L479-H482 PolarHBondContact O-N 2.91Å; L479-V483 WeakPolarHBondContact O-CG2 3.47Å; L479-V483 PolarHBondContact O-N 3.11Å
480	M	98.4	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-71.4	-32.4	178	-70.3	-56	98.1	0	0	112.6	Y355 L359 L361 F363 F393 F476 G477 H478 H482 V483 C484 L649	Y355-M480 HydrophobicContact CD1-CB 4.36Å; Y355-M480 HydrophobicContact CD1-CG 3.5Å; Y355-M480 VanDerWaalsContact CD1-CG 3.5Å; Y355-M480 HydrophobicContact CE1-CB 4.31Å; Y355-M480 HydrophobicContact CE1-CG 3.77Å; Y355-M480 HydrophobicContact CG-CG 4.23Å; L359-M480 HydrophobicContact CD1-CB 3.69Å; L359-M480 HydrophobicContact CD1-CG 3.69Å; L359-M480 HydrophobicContact CD1-SD 4.11Å; L361-M480 HydrophobicContact CD1-SD 3.95Å; F363-M480 HydrophobicContact CE1-SD 4.17Å; F363-M480 HydrophobicContact CZ-CE 4.22Å; F363-M480 HydrophobicContact CZ-SD 3.67Å; F393-M480 HydrophobicContact CD1-CE 4.37Å; F393-M480 HydrophobicContact CE1-CE 4.47Å; F476-M480 HydrophobicContact CD1-CE 4.21Å; F476-M480 HydrophobicContact CD1-CG 3.7Å; F476-M480 HydrophobicContact CD1-SD 4.41Å; F476-M480 HydrophobicContact CE1-CE 3.55Å; F476-M480 HydrophobicContact CE1-CG 3.64Å; F476-M480 HydrophobicContact CE1-SD 3.76Å; F476-M480 HydrophobicContact CZ-CE 3.87Å; F476-M480 WeakPolarHBondContact O-CG 3.49Å; F476-M480 PolarHBondContact O-N 2.89Å; G477-M480 PolarHBondContact O-N 2.97Å; H478-M480 PolarHBondContact O-N 3.38Å; M480-H482 VanDerWaalsContact C-N 3.3Å; M480-V483 PolarHBondContact O-N 3.35Å; M480-C484 WeakPolarHBondContact O-CB 3.32Å; M480-C484 PolarHBondContact O-N 3.13Å; M480-C484 PolarHBondContact O-SG 2.86Å; M480-L649 HydrophobicContact CB-CD1 4.36Å
481	H	98.2	Very high	97.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.4	-44.1	171.1	-163.9	177.3	0	0	0	110.7	G477 H478 S485 T495 L649	G477-H481 WeakPolarHBondContact O-CB 3.31Å; G477-H481 PolarHBondContact O-N 2.94Å; H478-H481 WeakPolarHBondContact O-CB 3.18Å; H478-H481 PolarHBondContact O-N 3.37Å; H481-S485 WeakPolarHBondContact O-CB 3.39Å; H481-S485 PolarHBondContact O-N 3.3Å; H481-T495 HydrophobicContact CB-CG2 3.98Å; H481-L649 HydrophobicContact CB-CD2 3.87Å; H481-L649 PolarHBondContact CD2-O 3.41Å
482	H	98.5	Very high	97.6	Very high	9 Å²	9	14.2 Å²	14.2	4%	0.042	7%	0.072	C	C	.	.	H	α-helix	trans	-60.5	-52.6	174.8	-169.2	82.8	0	0	0	112.7	G411 Q413 I445 A446 H478 L479 M480	G411-H482 VanDerWaalsContact CA-CE1 3.47Å; G411-H482 WeakPolarHBondContact CA-CE1 3.39Å; Q413-H482 PolarHBondContact O-NE2 3.03Å; I445-H482 PolarHBondContact O-NE2 3.06Å; I445-H482 VanDerWaalsContact O-NE2 3.15Å; A446-H482 HydrophobicContact CB-CB 4.24Å; H478-H482 PolarHBondContact O-N 3.06Å; L479-H482 PolarHBondContact O-N 2.91Å; M480-H482 VanDerWaalsContact C-N 3.3Å
483	V	98.2	Very high	97.6	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-73.2	-35.6	-173.2	175.9	0	0	0	0	113.2	V381 L390 L479 M480 S485	V381-V483 HydrophobicContact CB-CG1 3.85Å; V381-V483 HydrophobicContact CG1-CG1 3.76Å; V381-V483 HydrophobicContact CG2-CG1 4.05Å; L390-V483 HydrophobicContact CB-CG1 4.35Å; L479-V483 WeakPolarHBondContact O-CG2 3.47Å; L479-V483 PolarHBondContact O-N 3.11Å; M480-V483 PolarHBondContact O-N 3.35Å; V483-S485 VanDerWaalsContact C-N 3.3Å; V483-S485 PolarHBondContact O-N 2.78Å
484	C	97.8	Very high	97.5	Very high	8 Å²	8	14.4 Å²	14.4	5%	0.054	7%	0.074	C	C	.	.	H	α-helix	trans	-78.8	-13.9	-178.5	-66.2	0	0	0	0	113.5	M480 R645 L649 R650	M480-C484 WeakPolarHBondContact O-CB 3.32Å; M480-C484 PolarHBondContact O-N 3.13Å; M480-C484 PolarHBondContact O-SG 2.86Å; C484-R645 HydrophobicContact CB-CG 4.13Å; C484-L649 HydrophobicContact CB-CB 3.86Å; C484-L649 HydrophobicContact CB-CD1 4.27Å; C484-R650 WeakPolarHBondContact O-CA 3.44Å
485	S	97.2	Very high	97.4	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.035	8%	0.083	C	C	.	.			trans	-61.9	137.9	-179.4	-176.1	0	0	0	0	112.2	R441 H481 V483 G494 R650	R441-S485 PolarHBondContact NH2-O 3.43Å; H481-S485 WeakPolarHBondContact O-CB 3.39Å; H481-S485 PolarHBondContact O-N 3.3Å; V483-S485 VanDerWaalsContact C-N 3.3Å; V483-S485 PolarHBondContact O-N 2.78Å; S485-G494 VanDerWaalsContact CB-CA 3.45Å; S485-G494 PolarHBondContact OG-N 3.34Å; S485-R650 WeakPolarHBondContact CA-O 3.49Å
486	H	94.8	Very high	97.2	Very high	93 Å²	93	17 Å²	17	43%	0.431	10%	0.096	S	C	.	.			trans	-132.3	73.9	-177.6	-162.6	90.7	0	0	0	111.6	R441 R650	R441-H486 PolarHBondContact NE-ND1 2.97Å; R441-H486 VanDerWaalsContact NH2-CA 3.33Å; H486-R650 HydrophobicContact CB-CG 3.61Å; H486-R650 PolarHBondContact N-O 2.88Å
487	T	96.6	Very high	97.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	10%	0.1	C	C	.	.			trans	-105.9	160.1	179.7	60.5	0	0	0	0	113	E119 G415 C416 R441 T489 F492 S493 P651	E119-T487 WeakPolarHBondContact OE1-CB 3.43Å; E119-T487 WeakPolarHBondContact OE2-CA 3.46Å; G415-T487 PolarHBondContact O-OG1 3.2Å; C416-T487 WeakPolarHBondContact CA-O 3.11Å; R441-T487 PolarHBondContact NH1-O 3.45Å; T487-T489 PolarHBondContact OG1-O 3.21Å; T487-F492 HydrophobicContact CG2-CB 4.02Å; T487-F492 WeakPolarHBondContact CG2-O 3.35Å; T487-S493 WeakPolarHBondContact OG1-CA 3.16Å; T487-P651 VanDerWaalsContact CG2-O 3.31Å; T487-P651 WeakPolarHBondContact CG2-O 3.32Å
488	E	95.4	Very high	96.8	Very high	64 Å²	64	18.2 Å²	18.2	30%	0.299	10%	0.103	S	C	.	.	S	Bend	trans	-75.9	-31.8	171.4	-61.9	-174.8	93	0	0	111.5	S117 E119 Y120 R417	S117-E488 WeakPolarHBondContact CB-OE2 3.39Å; S117-E488 PolarHBondContact OG-OE2 2.97Å; E119-E488 WeakPolarHBondContact CB-OE2 3.25Å; E119-E488 WeakPolarHBondContact OE1-CA 3.2Å; E119-E488 PolarHBondContact OE1-N 2.87Å; E119-E488 PolarHBondContact OE2-N 2.88Å; Y120-E488 HydrophobicContact CE2-CB 4.05Å; Y120-E488 HydrophobicContact CE2-CG 4.47Å; Y120-E488 WeakPolarHBondContact CE2-OE1 3.42Å; R417-E488 WeakPolarHBondContact CB-O 3.37Å; R417-E488 PolarHBondContact N-O 3.36Å; R417-E488 VanDerWaalsContact N-O 3.14Å
489	T	96.9	Very high	96.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.104	C	C	.	.	S	Bend	trans	-121.5	149.6	-172.6	65.9	0	0	0	0	112.4	E119 Y120 Y123 T487 L491 F492 S493	E119-T489 PolarHBondContact OE1-N 3Å; E119-T489 PolarHBondContact OE1-OG1 2.69Å; Y120-T489 HydrophobicContact CD1-CG2 3.95Å; Y120-T489 HydrophobicContact CE1-CG2 3.57Å; Y123-T489 HydrophobicContact CD2-CG2 3.8Å; Y123-T489 HydrophobicContact CE2-CG2 4.36Å; Y123-T489 HydrophobicContact CG-CG2 4.12Å; T487-T489 PolarHBondContact OG1-O 3.21Å; T489-L491 PolarHBondContact O-N 2.89Å; T489-F492 PolarHBondContact O-N 3.22Å; T489-F492 VanDerWaalsContact OG1-CD2 3.23Å; T489-F492 WeakPolarHBondContact OG1-CD2 3.46Å; T489-S493 PolarHBondContact O-N 3.3Å
490	A	97	Very high	95.9	Very high	16 Å²	16	19.1 Å²	19.1	13%	0.132	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-63.5	-31.4	174.6	0	0	0	0	0	112.4	A56 P414 F492 S493	A56-A490 HydrophobicContact CB-CB 4.09Å; P414-A490 HydrophobicContact CB-CB 3.99Å; P414-A490 HydrophobicContact CG-CB 3.77Å; A490-F492 PolarHBondContact O-N 3.38Å; A490-F492 VanDerWaalsContact O-N 3.09Å; A490-S493 WeakPolarHBondContact O-CB 3.2Å; A490-S493 PolarHBondContact O-N 3.39Å; A490-S493 VanDerWaalsContact O-N 3.08Å
491	L	96.8	Very high	95.6	Very high	47 Å²	47	19.3 Å²	19.3	25%	0.246	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-56.8	-26.3	-179.1	-175.8	60.5	0	0	0	113.9	Y123 R126 K127 L130 T489 A496	Y123-L491 HydrophobicContact CD2-CB 4.04Å; Y123-L491 HydrophobicContact CD2-CD2 3.54Å; Y123-L491 HydrophobicContact CD2-CG 4.45Å; Y123-L491 HydrophobicContact CE2-CB 4.08Å; Y123-L491 HydrophobicContact CE2-CD2 3.78Å; R126-L491 HydrophobicContact CB-CD2 4.02Å; R126-L491 HydrophobicContact CG-CD2 3.73Å; R126-L491 HydrophobicContact CG-CG 4.44Å; K127-L491 HydrophobicContact CD-CD2 4.47Å; L130-L491 HydrophobicContact CD1-CD1 4.49Å; T489-L491 PolarHBondContact O-N 2.89Å; L491-A496 WeakPolarHBondContact O-CB 3.38Å
492	F	97.3	Very high	95.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-116	1.3	-179.3	-58.9	-48.2	0	0	0	113.2	E119 R122 R126 T487 T489 A490 G653	E119-F492 HydrophobicContact CG-CD2 3.67Å; E119-F492 HydrophobicContact CG-CE2 4.13Å; R122-F492 HydrophobicContact CB-CE2 4.26Å; R122-F492 HydrophobicContact CB-CZ 4.3Å; R122-F492 HydrophobicContact CG-CE1 4.37Å; R122-F492 HydrophobicContact CG-CE2 4.1Å; R122-F492 HydrophobicContact CG-CZ 3.71Å; R126-F492 HydrophobicContact CB-CE1 4.45Å; R126-F492 HydrophobicContact CB-CZ 4.06Å; R126-F492 HydrophobicContact CG-CE1 4.34Å; R126-F492 HydrophobicContact CG-CZ 4.41Å; T487-F492 HydrophobicContact CG2-CB 4.02Å; T487-F492 WeakPolarHBondContact CG2-O 3.35Å; T489-F492 PolarHBondContact O-N 3.22Å; T489-F492 VanDerWaalsContact OG1-CD2 3.23Å; T489-F492 WeakPolarHBondContact OG1-CD2 3.46Å; A490-F492 PolarHBondContact O-N 3.38Å; A490-F492 VanDerWaalsContact O-N 3.09Å; F492-G653 VanDerWaalsContact CD1-O 3.23Å; F492-G653 WeakPolarHBondContact CD1-O 3.37Å; F492-G653 PolarHBondContact O-N 3.45Å
493	S	97.6	Very high	95.4	Very high	7 Å²	7	20 Å²	20	5%	0.049	11%	0.114	C	C	.	.	S	Bend	trans	-69.1	141.5	-176.3	172.7	0	0	0	0	111.6	P414 G415 T487 T489 A490 T495 A496	P414-S493 WeakPolarHBondContact CA-OG 3.48Å; P414-S493 WeakPolarHBondContact CB-OG 3.19Å; G415-S493 PolarHBondContact N-OG 3.02Å; G415-S493 PolarHBondContact O-OG 2.81Å; T487-S493 WeakPolarHBondContact OG1-CA 3.16Å; T489-S493 PolarHBondContact O-N 3.3Å; A490-S493 WeakPolarHBondContact O-CB 3.2Å; A490-S493 PolarHBondContact O-N 3.39Å; A490-S493 VanDerWaalsContact O-N 3.08Å; S493-T495 PolarHBondContact O-N 3.44Å; S493-A496 VanDerWaalsContact O-CB 3.25Å; S493-A496 WeakPolarHBondContact O-CB 3.39Å; S493-A496 PolarHBondContact O-N 2.99Å
494	G	96.7	Very high	95.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	-129.5	169.8	0	0	0	0	0	112.9	S485 A496	S485-G494 VanDerWaalsContact CB-CA 3.45Å; S485-G494 PolarHBondContact OG-N 3.34Å; G494-A496 PolarHBondContact O-N 2.71Å
495	T	96.3	Very high	95.2	Very high	46 Å²	46	19.5 Å²	19.5	28%	0.282	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	10.7	-179.4	56.4	0	0	0	0	113.6	H481 S493 V497	H481-T495 HydrophobicContact CB-CG2 3.98Å; S493-T495 PolarHBondContact O-N 3.44Å; T495-V497 PolarHBondContact O-N 3.46Å
496	A	95.4	Very high	95.2	Very high	41 Å²	41	19.3 Å²	19.3	34%	0.339	11%	0.109	S	C	.	.			trans	-73.9	49.9	174.4	0	0	0	0	0	112.6	L491 S493 G494 G653	L491-A496 WeakPolarHBondContact O-CB 3.38Å; S493-A496 VanDerWaalsContact O-CB 3.25Å; S493-A496 WeakPolarHBondContact O-CB 3.39Å; S493-A496 PolarHBondContact O-N 2.99Å; G494-A496 PolarHBondContact O-N 2.71Å; A496-G653 VanDerWaalsContact O-CA 3.26Å; A496-G653 WeakPolarHBondContact O-CA 3.4Å
497	V	94.5	Very high	95.4	Very high	13 Å²	13	15.1 Å²	15.1	8%	0.079	9%	0.09	C	C	.	.	S	Bend	trans	-99.8	179.2	175.3	-64.7	0	0	0	0	110.4	T495 F501 V502 G652 M660	T495-V497 PolarHBondContact O-N 3.46Å; V497-F501 HydrophobicContact CB-CD1 4.07Å; V497-F501 HydrophobicContact CG1-CD1 4.38Å; V497-F501 HydrophobicContact CG2-CD1 3.95Å; V497-V502 HydrophobicContact CG2-CB 3.7Å; V497-V502 HydrophobicContact CG2-CG2 3.87Å; V497-G652 WeakPolarHBondContact CG1-O 3.33Å; V497-M660 HydrophobicContact CG1-CE 4.34Å
498	E	92.6	Very high	95.4	Very high	13 Å²	13	15 Å²	15	6%	0.061	9%	0.089	C	C	.	.			trans	-59.4	136	172.1	-56.8	92.3	149.7	0	0	111.6	Y265 D500 F501 V502 D656 A657	Y265-E498 HydrophobicContact CD1-CB 3.76Å; Y265-E498 HydrophobicContact CD1-CG 3.17Å; Y265-E498 HydrophobicContact CD2-CB 4.44Å; Y265-E498 HydrophobicContact CE1-CB 3.74Å; Y265-E498 HydrophobicContact CE1-CG 3.41Å; Y265-E498 VanDerWaalsContact CE1-CG 3.41Å; Y265-E498 HydrophobicContact CE2-CB 4.39Å; Y265-E498 HydrophobicContact CG-CB 4.12Å; Y265-E498 HydrophobicContact CG-CG 3.85Å; E498-D500 VanDerWaalsContact CB-OD1 3.25Å; E498-D500 WeakPolarHBondContact CB-OD1 3.48Å; E498-D500 PolarHBondContact O-N 3.15Å; E498-F501 HydrophobicContact CB-CB 4.43Å; E498-F501 CarbonylContact O-C 3.5Å; E498-F501 WeakPolarHBondContact O-CA 3.27Å; E498-F501 PolarHBondContact O-N 3.45Å; E498-V502 PolarHBondContact O-N 2.92Å; E498-D656 VanDerWaalsContact OE1-CA 3.27Å; E498-D656 WeakPolarHBondContact OE1-CA 3.31Å; E498-A657 PolarHBondContact OE1-N 3.36Å; E498-A657 WeakPolarHBondContact OE2-CB 3.29Å; E498-A657 PolarHBondContact OE2-N 2.96Å
499	T	89.8	Confident	95.4	Very high	17 Å²	17	12 Å²	12	10%	0.104	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-30.2	-175	-49.2	0	0	0	0	112.6	Y265 F501 V502 Y605 R608 S611	Y265-T499 PolarHBondContact OH-OG1 3.34Å; T499-F501 PolarHBondContact O-N 3.43Å; T499-V502 WeakPolarHBondContact O-CG1 3.44Å; T499-Y605 HydrophobicContact CG2-CD1 3.97Å; T499-Y605 HydrophobicContact CG2-CE1 3.98Å; T499-R608 HydrophobicContact CG2-CB 4.03Å; T499-R608 VanDerWaalsContact OG1-CZ 3.23Å; T499-R608 PolarHBondContact OG1-NH1 3.01Å; T499-S611 WeakPolarHBondContact O-CB 3.44Å
500	D	87.6	Confident	95.4	Very high	17 Å²	17	12.7 Å²	12.7	9%	0.091	8%	0.078	C	C	.	.	H	α-helix	trans	-73.1	-10.8	175.1	63.2	-15.1	0	0	0	113.8	E498 Y610 S615	E498-D500 VanDerWaalsContact CB-OD1 3.25Å; E498-D500 WeakPolarHBondContact CB-OD1 3.48Å; E498-D500 PolarHBondContact O-N 3.15Å; D500-Y610 HydrophobicContact CB-CE2 4.27Å; D500-S615 PolarHBondContact O-OG 3.49Å
501	F	92.8	Very high	95.3	Very high	3 Å²	3	12 Å²	12	1%	0.013	7%	0.072	C	C	.	.	H	α-helix	trans	-111.1	-24.7	177.6	-178.7	-111.1	0	0	0	114.1	V497 E498 T499 E503 C504 P505 I648 A657 M660 L661	V497-F501 HydrophobicContact CB-CD1 4.07Å; V497-F501 HydrophobicContact CG1-CD1 4.38Å; V497-F501 HydrophobicContact CG2-CD1 3.95Å; E498-F501 HydrophobicContact CB-CB 4.43Å; E498-F501 CarbonylContact O-C 3.5Å; E498-F501 WeakPolarHBondContact O-CA 3.27Å; E498-F501 PolarHBondContact O-N 3.45Å; T499-F501 PolarHBondContact O-N 3.43Å; F501-E503 PolarHBondContact O-N 3.21Å; F501-C504 HydrophobicContact CD2-CB 3.8Å; F501-C504 HydrophobicContact CE2-CB 3.95Å; F501-C504 VanDerWaalsContact O-CB 3.24Å; F501-C504 WeakPolarHBondContact O-CB 3.33Å; F501-C504 PolarHBondContact O-N 3.46Å; F501-P505 HydrophobicContact CE1-CG 4.06Å; F501-P505 HydrophobicContact CZ-CG 3.99Å; F501-P505 WeakPolarHBondContact O-CD 3.34Å; F501-I648 HydrophobicContact CZ-CD1 4.4Å; F501-I648 HydrophobicContact CZ-CG2 3.96Å; F501-A657 HydrophobicContact CB-CB 3.46Å; F501-A657 VanDerWaalsContact CB-CB 3.46Å; F501-A657 HydrophobicContact CD1-CB 3.75Å; F501-A657 HydrophobicContact CD2-CB 3.91Å; F501-A657 HydrophobicContact CE1-CB 4.47Å; F501-A657 HydrophobicContact CG-CB 3.41Å; F501-A657 VanDerWaalsContact CG-CB 3.41Å; F501-M660 HydrophobicContact CD1-CE 4.07Å; F501-M660 HydrophobicContact CE1-CE 3.67Å; F501-M660 HydrophobicContact CZ-CE 4.4Å; F501-L661 HydrophobicContact CD2-CD1 3.94Å; F501-L661 HydrophobicContact CD2-CD2 4.45Å; F501-L661 HydrophobicContact CD2-CG 4.16Å; F501-L661 HydrophobicContact CE2-CD1 3.97Å; F501-L661 HydrophobicContact CE2-CD2 3.71Å; F501-L661 HydrophobicContact CE2-CG 3.67Å
502	V	94.8	Very high	95.2	Very high	20 Å²	20	9.9 Å²	9.9	12%	0.121	6%	0.061	C	C	.	.	H	α-helix	trans	-54.4	-34.8	-172.3	73.9	0	0	0	0	113.5	H478 V497 E498 T499	H478-V502 PolarHBondContact CE1-O 2.98Å; H478-V502 VanDerWaalsContact CE1-O 3.27Å; V497-V502 HydrophobicContact CG2-CB 3.7Å; V497-V502 HydrophobicContact CG2-CG2 3.87Å; E498-V502 PolarHBondContact O-N 2.92Å; T499-V502 WeakPolarHBondContact O-CG1 3.44Å
503	E	96.4	Very high	95.1	Very high	5 Å²	5	9.9 Å²	9.9	2%	0.023	6%	0.061	C	C	.	.	H	α-helix	trans	-81.4	-15	179.4	-70	-63.8	135.4	0	0	113.3	H474 H478 F501 S506 Q507 Y605 Y612	H474-E503 IonicContact CE1-OE2 3.87Å; H474-E503 PolarHBondContact CE1-OE2 3Å; H474-E503 IonicContact NE2-OE2 2.71Å; H474-E503 PolarHBondContact NE2-OE2 3.01Å; H478-E503 IonicContact CE1-OE1 3.99Å; H478-E503 PolarHBondContact CE1-OE1 3.3Å; H478-E503 IonicContact NE2-OE1 2.75Å; H478-E503 PolarHBondContact NE2-OE1 3.41Å; H478-E503 VanDerWaalsContact NE2-OE1 3.13Å; H478-E503 IonicContact NE2-OE2 3.46Å; F501-E503 PolarHBondContact O-N 3.21Å; E503-S506 PolarHBondContact O-OG 3.3Å; E503-S506 VanDerWaalsContact O-OG 3.04Å; E503-Q507 WeakPolarHBondContact O-CB 3.25Å; E503-Q507 WeakPolarHBondContact O-CG 3.48Å; E503-Q507 PolarHBondContact O-N 3.5Å; E503-Y605 PolarHBondContact OE1-OH 3.2Å; E503-Y612 HydrophobicContact CG-CD1 4.07Å; E503-Y612 HydrophobicContact CG-CE1 3.92Å; E503-Y612 HydrophobicContact CG-CE2 4.39Å; E503-Y612 HydrophobicContact CG-CG 4.35Å; E503-Y612 PolarHBondContact OE1-OH 3.36Å; E503-Y612 WeakPolarHBondContact OE2-CE1 3.39Å
504	C	96.7	Very high	94.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.9	-47.1	-174.8	-177.2	0	0	0	0	111.5	F501 M508 S615 S619 I622	F501-C504 HydrophobicContact CD2-CB 3.8Å; F501-C504 HydrophobicContact CE2-CB 3.95Å; F501-C504 VanDerWaalsContact O-CB 3.24Å; F501-C504 WeakPolarHBondContact O-CB 3.33Å; F501-C504 PolarHBondContact O-N 3.46Å; C504-M508 WeakPolarHBondContact O-CB 3.42Å; C504-M508 PolarHBondContact O-N 3.22Å; C504-S615 VanDerWaalsContact N-CB 3.33Å; C504-S615 PolarHBondContact N-OG 3.1Å; C504-S615 VanDerWaalsContact N-OG 3.09Å; C504-S619 WeakPolarHBondContact O-CB 3.15Å; C504-I622 WeakPolarHBondContact SG-CD1 3.33Å
505	P	96.4	Very high	94.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.7	-46.5	176.2	-29	37.6	0	0	0	114.5	F501 M508 L509 Y644 I648 L649	F501-P505 HydrophobicContact CE1-CG 4.06Å; F501-P505 HydrophobicContact CZ-CG 3.99Å; F501-P505 WeakPolarHBondContact O-CD 3.34Å; P505-M508 PolarHBondContact O-N 3.37Å; P505-L509 WeakPolarHBondContact O-CD1 3.4Å; P505-L509 PolarHBondContact O-N 3.47Å; P505-Y644 VanDerWaalsContact C-OH 3.29Å; P505-Y644 WeakPolarHBondContact CA-OH 3.27Å; P505-Y644 WeakPolarHBondContact CB-OH 3.31Å; P505-Y644 PolarHBondContact O-OH 3.32Å; P505-I648 HydrophobicContact CB-CG2 4.33Å; P505-I648 HydrophobicContact CG-CG2 3.84Å; P505-L649 HydrophobicContact CB-CD2 3.97Å
506	S	97.3	Very high	94.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.1	-46.4	-179.3	55	0	0	0	0	111.7	H474 H478 E503 M508 L509 E510	H474-S506 PolarHBondContact CE1-OG 3.26Å; H474-S506 VanDerWaalsContact CE1-OG 3.29Å; H474-S506 WeakPolarHBondContact O-CB 3.4Å; H478-S506 PolarHBondContact CE1-OG 3.01Å; H478-S506 PolarHBondContact NE2-OG 2.85Å; E503-S506 PolarHBondContact O-OG 3.3Å; E503-S506 VanDerWaalsContact O-OG 3.04Å; S506-M508 VanDerWaalsContact C-N 3.29Å; S506-M508 PolarHBondContact O-N 3.13Å; S506-L509 PolarHBondContact O-N 2.87Å; S506-L509 VanDerWaalsContact O-N 3.14Å; S506-E510 PolarHBondContact O-N 3.39Å
507	Q	97.5	Very high	94.2	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-67.5	-28.3	-179.5	-68.4	-175.9	14.8	0	0	113.5	E503 L509 E510 Y612 R616	E503-Q507 WeakPolarHBondContact O-CB 3.25Å; E503-Q507 WeakPolarHBondContact O-CG 3.48Å; E503-Q507 PolarHBondContact O-N 3.5Å; Q507-L509 VanDerWaalsContact C-N 3.31Å; Q507-E510 WeakPolarHBondContact CA-OE1 3.4Å; Q507-E510 WeakPolarHBondContact O-CB 3.48Å; Q507-E510 PolarHBondContact O-N 3.29Å; Q507-Y612 PolarHBondContact NE2-O 2.61Å; Q507-Y612 PolarHBondContact OE1-O 2.75Å; Q507-R616 PolarHBondContact O-NH1 3.45Å; Q507-R616 VanDerWaalsContact OE1-CB 3.22Å
508	M	96.8	Very high	94.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-38.6	174.2	-173.8	-119.6	42.5	0	0	110.9	C504 P505 S506 E510 N511 W512 I622 F623 F627 Y644	C504-M508 WeakPolarHBondContact O-CB 3.42Å; C504-M508 PolarHBondContact O-N 3.22Å; P505-M508 PolarHBondContact O-N 3.37Å; S506-M508 VanDerWaalsContact C-N 3.29Å; S506-M508 PolarHBondContact O-N 3.13Å; M508-E510 PolarHBondContact O-N 3.45Å; M508-N511 WeakPolarHBondContact O-CB 3.39Å; M508-N511 PolarHBondContact O-N 3.27Å; M508-N511 PolarHBondContact O-ND2 3.29Å; M508-W512 HydrophobicContact CE-CH2 4.02Å; M508-W512 HydrophobicContact CE-CZ3 3.76Å; M508-W512 HydrophobicContact SD-CZ3 4.5Å; M508-I622 HydrophobicContact CG-CB 4.04Å; M508-I622 HydrophobicContact CG-CG2 3.58Å; M508-I622 HydrophobicContact SD-CG2 3.49Å; M508-I622 WeakPolarHBondContact SD-CG2 3.46Å; M508-F623 HydrophobicContact CG-CB 4.26Å; M508-F627 HydrophobicContact CE-CE2 4.05Å; M508-F627 HydrophobicContact SD-CD2 3.54Å; M508-F627 VanDerWaalsContact SD-CD2 3.54Å; M508-F627 HydrophobicContact SD-CE2 3.35Å; M508-F627 WeakPolarHBondContact SD-CE2 3.48Å; M508-F627 HydrophobicContact SD-CZ 4.43Å; M508-Y644 HydrophobicContact CE-CE1 4.06Å; M508-Y644 HydrophobicContact CE-CE2 3.94Å; M508-Y644 HydrophobicContact SD-CD2 4.25Å; M508-Y644 HydrophobicContact SD-CE2 3.82Å
509	L	95.4	Very high	94.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-71.9	-18.5	-177.5	-68.7	157.8	0	0	0	113	Y355 L358 F473 P505 S506 Q507 N511 W512 Y644	Y355-L509 HydrophobicContact CE1-CD1 3.68Å; Y355-L509 HydrophobicContact CE1-CD2 3.9Å; Y355-L509 HydrophobicContact CE1-CG 4.24Å; Y355-L509 VanDerWaalsContact OH-CB 3.28Å; Y355-L509 WeakPolarHBondContact OH-CB 3.45Å; Y355-L509 WeakPolarHBondContact OH-CD1 3.44Å; L358-L509 HydrophobicContact CD2-CD2 3.66Å; F473-L509 VanDerWaalsContact CD1-O 3.28Å; F473-L509 WeakPolarHBondContact CD1-O 3.46Å; P505-L509 WeakPolarHBondContact O-CD1 3.4Å; P505-L509 PolarHBondContact O-N 3.47Å; S506-L509 PolarHBondContact O-N 2.87Å; S506-L509 VanDerWaalsContact O-N 3.14Å; Q507-L509 VanDerWaalsContact C-N 3.31Å; L509-N511 PolarHBondContact O-N 3.19Å; L509-N511 VanDerWaalsContact O-N 3.15Å; L509-W512 HydrophobicContact CD2-CH2 4.26Å; L509-W512 HydrophobicContact CD2-CZ3 4.11Å; L509-Y644 HydrophobicContact CD1-CE1 4.18Å; L509-Y644 HydrophobicContact CD2-CE1 4.33Å; L509-Y644 HydrophobicContact CG-CE1 4.43Å
510	E	96.9	Very high	94.4	Very high	15 Å²	15	16 Å²	16	7%	0.07	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-61.1	-20.1	171.9	-63.7	172.9	-155.9	0	0	113.5	V470 H474 S506 Q507 M508 W512 V513 R616	V470-E510 HydrophobicContact CG1-CB 4.14Å; V470-E510 HydrophobicContact CG1-CG 3.96Å; H474-E510 HydrophobicContact CB-CG 3.98Å; H474-E510 IonicContact CE1-OE1 3.67Å; H474-E510 IonicContact CG-OE1 3.67Å; H474-E510 IonicContact ND1-OE1 3.34Å; H474-E510 PolarHBondContact ND1-OE1 3Å; S506-E510 PolarHBondContact O-N 3.39Å; Q507-E510 WeakPolarHBondContact CA-OE1 3.4Å; Q507-E510 WeakPolarHBondContact O-CB 3.48Å; Q507-E510 PolarHBondContact O-N 3.29Å; M508-E510 PolarHBondContact O-N 3.45Å; E510-W512 PolarHBondContact O-N 2.98Å; E510-V513 WeakPolarHBondContact O-CG2 3.49Å; E510-V513 PolarHBondContact O-N 3.26Å; E510-R616 VanDerWaalsContact CD-NH2 3.27Å; E510-R616 IonicContact OE1-CZ 4Å; E510-R616 IonicContact OE1-NH1 2.68Å; E510-R616 IonicContact OE1-NH2 3.51Å; E510-R616 PolarHBondContact OE1-NH2 2.93Å; E510-R616 IonicContact OE2-CZ 2.7Å; E510-R616 IonicContact OE2-NH1 3.55Å; E510-R616 PolarHBondContact OE2-NH1 3.46Å; E510-R616 IonicContact OE2-NH2 3.62Å; E510-R616 PolarHBondContact OE2-NH2 3.01Å
511	N	95.9	Very high	94.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-66.3	-21	-172.5	-76.3	-78.2	0	0	0	114.5	M508 L509 V513 W514 R542 F623	M508-N511 WeakPolarHBondContact O-CB 3.39Å; M508-N511 PolarHBondContact O-N 3.27Å; M508-N511 PolarHBondContact O-ND2 3.29Å; L509-N511 PolarHBondContact O-N 3.19Å; L509-N511 VanDerWaalsContact O-N 3.15Å; N511-V513 VanDerWaalsContact C-N 3.26Å; N511-V513 PolarHBondContact O-N 2.98Å; N511-W514 PolarHBondContact O-N 3.24Å; N511-W514 VanDerWaalsContact O-N 3.12Å; N511-R542 PolarHBondContact OD1-NH1 2.91Å; N511-R542 PolarHBondContact OD1-NH2 2.87Å; N511-F623 HydrophobicContact CB-CB 4.33Å; N511-F623 HydrophobicContact CB-CD1 3.84Å; N511-F623 HydrophobicContact CB-CD2 3.28Å; N511-F623 HydrophobicContact CB-CE1 3.9Å; N511-F623 HydrophobicContact CB-CE2 3.35Å; N511-F623 HydrophobicContact CB-CG 3.53Å; N511-F623 HydrophobicContact CB-CZ 3.66Å; N511-F623 VanDerWaalsContact CG-CG 3.42Å
512	W	94.7	Very high	94.8	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.015	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-62.2	-34	-178.3	-86.9	-110.8	0	0	0	112.6	L358 F473 M508 L509 E510 W514 N515 G518 F623 F627 C635	L358-W512 HydrophobicContact CD1-CH2 4.4Å; L358-W512 HydrophobicContact CD1-CZ2 3.74Å; L358-W512 HydrophobicContact CD2-CH2 4.01Å; L358-W512 HydrophobicContact CD2-CZ2 3.72Å; L358-W512 HydrophobicContact CG-CZ2 4.4Å; F473-W512 HydrophobicContact CD1-CB 4.29Å; F473-W512 HydrophobicContact CE1-CB 3.68Å; F473-W512 HydrophobicContact CE1-CG 4.19Å; F473-W512 HydrophobicContact CZ-CB 4.09Å; M508-W512 HydrophobicContact CE-CH2 4.02Å; M508-W512 HydrophobicContact CE-CZ3 3.76Å; M508-W512 HydrophobicContact SD-CZ3 4.5Å; L509-W512 HydrophobicContact CD2-CH2 4.26Å; L509-W512 HydrophobicContact CD2-CZ3 4.11Å; E510-W512 PolarHBondContact O-N 2.98Å; W512-W514 PolarHBondContact O-N 2.94Å; W512-N515 PolarHBondContact O-N 3.39Å; W512-G518 CarbonylContact O-C 3.32Å; W512-G518 WeakPolarHBondContact O-CA 3.5Å; W512-F623 HydrophobicContact CE3-CE2 4.28Å; W512-F623 HydrophobicContact CZ3-CD2 4.12Å; W512-F623 HydrophobicContact CZ3-CE2 4.13Å; W512-F627 AromaticContact CH2-CD1 3.8Å; W512-F627 HydrophobicContact CH2-CD1 3.8Å; W512-F627 HydrophobicContact CH2-CD2 4.17Å; W512-F627 AromaticContact CH2-CE1 3.88Å; W512-F627 HydrophobicContact CH2-CE1 3.88Å; W512-F627 HydrophobicContact CH2-CE2 4.22Å; W512-F627 AromaticContact CH2-CG 3.95Å; W512-F627 HydrophobicContact CH2-CG 3.95Å; W512-F627 HydrophobicContact CH2-CZ 4.06Å; W512-F627 HydrophobicContact CZ2-CD1 4.01Å; W512-F627 HydrophobicContact CZ2-CE1 4.08Å; W512-C635 HydrophobicContact CZ2-CB 4.44Å; W512-C635 WeakPolarHBondContact CZ2-O 3.47Å; W512-C635 PolarHBondContact NE1-O 3.24Å
513	V	94.5	Very high	94.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-77.9	-1.4	-178.7	-49.7	0	0	0	0	113.1	H466 V469 V470 F473 E510 N511 L519	H466-V513 PolarHBondContact NE2-O 3.21Å; V469-V513 HydrophobicContact CG1-CG1 3.91Å; V470-V513 HydrophobicContact CB-CG2 4.33Å; V470-V513 HydrophobicContact CG2-CG2 3.42Å; V470-V513 VanDerWaalsContact CG2-CG2 3.42Å; F473-V513 HydrophobicContact CD2-CG1 3.32Å; F473-V513 HydrophobicContact CE2-CG1 3.38Å; F473-V513 HydrophobicContact CG-CG1 3.99Å; F473-V513 HydrophobicContact CZ-CG1 4.1Å; E510-V513 WeakPolarHBondContact O-CG2 3.49Å; E510-V513 PolarHBondContact O-N 3.26Å; N511-V513 VanDerWaalsContact C-N 3.26Å; N511-V513 PolarHBondContact O-N 2.98Å; V513-L519 HydrophobicContact CB-CD2 4.4Å
514	W	94.2	Very high	94.5	Very high	47 Å²	47	21.8 Å²	21.8	18%	0.178	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-113.8	9	176.4	-60.2	108.8	0	0	0	112.5	H466 V470 N511 W512 L538 R542	H466-W514 AromaticContact CE1-CD2 3.93Å; H466-W514 AromaticContact CE1-CE2 3.73Å; H466-W514 AromaticContact CE1-CE3 3.81Å; H466-W514 AromaticContact CE1-CH2 3.37Å; H466-W514 WeakPolarHBondContact CE1-CH2 3.34Å; H466-W514 AromaticContact CE1-CZ2 3.48Å; H466-W514 VanDerWaalsContact CE1-CZ2 3.48Å; H466-W514 WeakPolarHBondContact CE1-CZ2 3.45Å; H466-W514 AromaticContact CE1-CZ3 3.54Å; H466-W514 AromaticContact ND1-CH2 3.71Å; H466-W514 AromaticContact ND1-CZ2 3.98Å; V470-W514 HydrophobicContact CG2-CZ2 4.17Å; N511-W514 PolarHBondContact O-N 3.24Å; N511-W514 VanDerWaalsContact O-N 3.12Å; W512-W514 PolarHBondContact O-N 2.94Å; W514-L538 HydrophobicContact CZ3-CD1 4.41Å; W514-R542 HydrophobicContact CD2-CB 3.98Å; W514-R542 HydrophobicContact CD2-CG 3.71Å; W514-R542 HydrophobicContact CE3-CB 3.53Å; W514-R542 HydrophobicContact CE3-CG 3.83Å; W514-R542 HydrophobicContact CG-CG 4.16Å; W514-R542 HydrophobicContact CH2-CB 4.2Å; W514-R542 HydrophobicContact CH2-CG 4.35Å; W514-R542 HydrophobicContact CZ2-CG 4.26Å; W514-R542 HydrophobicContact CZ3-CB 3.66Å; W514-R542 HydrophobicContact CZ3-CG 4.15Å
515	N	91.7	Very high	94	Very high	36 Å²	36	23.8 Å²	23.8	19%	0.193	13%	0.128	C	C	.	.	S	Bend	trans	-122.8	138.6	179.8	-176.7	-68.8	0	0	0	109.8	W512 D517 G518 L519 C635	W512-N515 PolarHBondContact O-N 3.39Å; N515-D517 PolarHBondContact O-N 3.35Å; N515-D517 WeakPolarHBondContact OD1-CB 3.48Å; N515-D517 PolarHBondContact OD1-N 2.92Å; N515-G518 PolarHBondContact O-N 2.77Å; N515-G518 PolarHBondContact OD1-N 3.35Å; N515-L519 WeakPolarHBondContact O-CB 3.5Å; N515-L519 WeakPolarHBondContact O-CG 3.36Å; N515-L519 PolarHBondContact O-N 3.08Å; N515-C635 VanDerWaalsContact CG-SG 3.54Å; N515-C635 PolarHBondContact OD1-SG 3.24Å
516	V	91	Very high	93.1	Very high	51 Å²	51	31.2 Å²	31.2	31%	0.309	17%	0.167	S	C	.	.	H	α-helix	trans	-59.2	-47.3	-179.3	174	0	0	0	0	111.6	G518 L519 K520 L535 I539	V516-G518 VanDerWaalsContact C-N 3.34Å; V516-L519 PolarHBondContact O-N 2.93Å; V516-K520 HydrophobicContact CG1-CD 4.2Å; V516-K520 WeakPolarHBondContact O-CB 3.3Å; V516-K520 WeakPolarHBondContact O-CG 3.45Å; V516-K520 PolarHBondContact O-N 3.41Å; V516-L535 HydrophobicContact CB-CD2 4.48Å; V516-L535 HydrophobicContact CG1-CD2 4.01Å; V516-L535 HydrophobicContact CG2-CD2 4.02Å; V516-L535 HydrophobicContact CG2-CG 4.36Å; V516-I539 HydrophobicContact CG2-CD1 3.41Å; V516-I539 VanDerWaalsContact CG2-CD1 3.41Å
517	D	91.1	Very high	92.3	Very high	85 Å²	85	37.4 Å²	37.4	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-68.7	-37.4	-178.8	-58.8	-36.4	0	0	0	110.8	N515 K520 A521 L636	N515-D517 PolarHBondContact O-N 3.35Å; N515-D517 WeakPolarHBondContact OD1-CB 3.48Å; N515-D517 PolarHBondContact OD1-N 2.92Å; D517-K520 PolarHBondContact O-N 3.4Å; D517-A521 WeakPolarHBondContact O-CB 3.32Å; D517-A521 PolarHBondContact O-N 2.93Å; D517-L636 HydrophobicContact CB-CD1 4.12Å
518	G	93.8	Very high	91.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-45.1	172.5	0	0	0	0	0	112.8	W512 N515 V516 A521 L522	W512-G518 CarbonylContact O-C 3.32Å; W512-G518 WeakPolarHBondContact O-CA 3.5Å; N515-G518 PolarHBondContact O-N 2.77Å; N515-G518 PolarHBondContact OD1-N 3.35Å; V516-G518 VanDerWaalsContact C-N 3.34Å; G518-A521 PolarHBondContact O-N 3.41Å; G518-L522 WeakPolarHBondContact O-CB 3.44Å; G518-L522 PolarHBondContact O-N 2.62Å
519	L	94.4	Very high	90.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69	-38.2	177.2	-74.7	170.3	0	0	0	112.8	F342 V513 N515 V516 L522 L523 P529 L535 L538	F342-L519 HydrophobicContact CE1-CD2 4Å; F342-L519 HydrophobicContact CZ-CD2 4.33Å; V513-L519 HydrophobicContact CB-CD2 4.4Å; N515-L519 WeakPolarHBondContact O-CB 3.5Å; N515-L519 WeakPolarHBondContact O-CG 3.36Å; N515-L519 PolarHBondContact O-N 3.08Å; V516-L519 PolarHBondContact O-N 2.93Å; L519-L522 HydrophobicContact CD2-CD2 4.27Å; L519-L522 PolarHBondContact O-N 3.37Å; L519-L523 WeakPolarHBondContact O-CB 3.19Å; L519-L523 WeakPolarHBondContact O-CG 3.42Å; L519-L523 PolarHBondContact O-N 3.46Å; L519-P529 HydrophobicContact CB-CG 4.4Å; L519-L535 HydrophobicContact CD1-CD1 3.45Å; L519-L535 VanDerWaalsContact CD1-CD1 3.45Å; L519-L538 HydrophobicContact CD1-CD2 4.17Å
520	K	93	Very high	89.5	Confident	44 Å²	44	41.4 Å²	41.4	19%	0.191	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-48.5	173.1	-82.1	-178.8	179.6	-163.1	0	111.7	V516 D517 L523 D524 T525 N526 D528 P529	V516-K520 HydrophobicContact CG1-CD 4.2Å; V516-K520 WeakPolarHBondContact O-CB 3.3Å; V516-K520 WeakPolarHBondContact O-CG 3.45Å; V516-K520 PolarHBondContact O-N 3.41Å; D517-K520 PolarHBondContact O-N 3.4Å; K520-L523 PolarHBondContact O-N 3.29Å; K520-D524 PolarHBondContact O-N 3.34Å; K520-T525 WeakPolarHBondContact CB-O 3.27Å; K520-T525 PolarHBondContact O-N 2.77Å; K520-T525 VanDerWaalsContact O-N 3.15Å; K520-N526 PolarHBondContact NZ-O 2.88Å; K520-D528 WeakPolarHBondContact CE-OD1 3.33Å; K520-D528 IonicContact NZ-OD1 3.85Å; K520-D528 PolarHBondContact NZ-OD1 2.88Å; K520-P529 HydrophobicContact CG-CG 4.36Å
521	A	93.1	Very high	89.1	Confident	27 Å²	27	43.9 Å²	43.9	22%	0.223	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-39.4	178.2	0	0	0	0	0	112.5	R353 L354 D517 G518 L636	R353-A521 PolarHBondContact NH2-O 3.11Å; L354-A521 HydrophobicContact CD2-CB 3.6Å; L354-A521 HydrophobicContact CG-CB 4.29Å; D517-A521 WeakPolarHBondContact O-CB 3.32Å; D517-A521 PolarHBondContact O-N 2.93Å; G518-A521 PolarHBondContact O-N 3.41Å; A521-L636 HydrophobicContact CB-CD1 4.07Å; A521-L636 HydrophobicContact CB-CD2 3.94Å
522	L	95.8	Very high	88.6	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-46.6	174.5	175.9	64.7	0	0	0	111.7	V347 G350 I351 R353 L354 V469 F473 G518 L519 D524	V347-L522 HydrophobicContact CG1-CD1 4.35Å; G350-L522 VanDerWaalsContact CA-O 3.23Å; G350-L522 WeakPolarHBondContact CA-O 3.2Å; I351-L522 HydrophobicContact CG1-CD1 3.83Å; R353-L522 PolarHBondContact NH2-O 3.05Å; L354-L522 HydrophobicContact CD1-CB 3.93Å; L354-L522 HydrophobicContact CD1-CD1 4.33Å; V469-L522 HydrophobicContact CG1-CD2 3.84Å; F473-L522 HydrophobicContact CE2-CD1 3.82Å; F473-L522 HydrophobicContact CE2-CD2 3.93Å; F473-L522 HydrophobicContact CE2-CG 4.45Å; F473-L522 HydrophobicContact CZ-CD1 3.97Å; F473-L522 HydrophobicContact CZ-CD2 4.42Å; G518-L522 WeakPolarHBondContact O-CB 3.44Å; G518-L522 PolarHBondContact O-N 2.62Å; L519-L522 HydrophobicContact CD2-CD2 4.27Å; L519-L522 PolarHBondContact O-N 3.37Å; L522-D524 VanDerWaalsContact C-N 3.34Å
523	L	94.5	Very high	88.3	Confident	20 Å²	20	56.8 Å²	56.8	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-92.2	6.5	-172.8	-62.5	174.7	0	0	0	113.9	Y341 F342 T346 L519 K520 T525 P529	Y341-L523 WeakPolarHBondContact O-CD2 3.15Å; F342-L523 HydrophobicContact CD1-CD1 4.38Å; F342-L523 HydrophobicContact CD1-CD2 4.2Å; F342-L523 HydrophobicContact CE1-CD1 4.07Å; T346-L523 HydrophobicContact CG2-CD2 3.93Å; L519-L523 WeakPolarHBondContact O-CB 3.19Å; L519-L523 WeakPolarHBondContact O-CG 3.42Å; L519-L523 PolarHBondContact O-N 3.46Å; K520-L523 PolarHBondContact O-N 3.29Å; L523-T525 HydrophobicContact CB-CG2 4.34Å; L523-P529 HydrophobicContact CB-CB 3.9Å; L523-P529 HydrophobicContact CD1-CB 3.48Å; L523-P529 VanDerWaalsContact CD1-CB 3.48Å; L523-P529 HydrophobicContact CD1-CG 4.08Å; L523-P529 HydrophobicContact CG-CB 4.3Å
524	D	89.9	Confident	88	Confident	119 Å²	119	58.2 Å²	58.2	64%	0.636	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	47.2	176.6	-148.5	26.8	0	0	0	114.6	R353 K520 L522	R353-D524 IonicContact CZ-OD1 3.69Å; R353-D524 IonicContact NE-OD1 3.71Å; R353-D524 VanDerWaalsContact NH2-CB 3.29Å; R353-D524 IonicContact NH2-OD1 3.94Å; K520-D524 PolarHBondContact O-N 3.34Å; L522-D524 VanDerWaalsContact C-N 3.34Å
525	T	86.2	Confident	87.7	Confident	42 Å²	42	56.3 Å²	56.3	26%	0.258	30%	0.304	S	S	.	.			trans	-138.6	142.5	-179	173.7	0	0	0	0	112	K520 L523 D527 P529	K520-T525 WeakPolarHBondContact CB-O 3.27Å; K520-T525 PolarHBondContact O-N 2.77Å; K520-T525 VanDerWaalsContact O-N 3.15Å; L523-T525 HydrophobicContact CB-CG2 4.34Å; T525-D527 VanDerWaalsContact CG2-O 3.3Å; T525-D527 WeakPolarHBondContact CG2-O 3.37Å; T525-D527 PolarHBondContact OG1-N 3.44Å; T525-D527 VanDerWaalsContact OG1-N 3.1Å; T525-D527 PolarHBondContact OG1-O 2.6Å; T525-P529 HydrophobicContact CG2-CB 3.49Å; T525-P529 VanDerWaalsContact CG2-CB 3.49Å; T525-P529 HydrophobicContact CG2-CG 4.25Å
526	N	78.4	Confident	87.6	Confident	156 Å²	156	56.7 Å²	56.7	83%	0.834	31%	0.312	S	S	*	.	S	Bend	trans	-83.6	-32.2	170.7	-65	-43	0	0	0	111.4	K520	K520-N526 PolarHBondContact NZ-O 2.88Å
527	D	79.7	Confident	87.7	Confident	130 Å²	130	56.4 Å²	56.4	70%	0.695	31%	0.308	S	S	*	.	S	Bend	trans	-77	164.4	173.6	-62.8	-43	0	0	0	110.6	T525 P529	T525-D527 VanDerWaalsContact CG2-O 3.3Å; T525-D527 WeakPolarHBondContact CG2-O 3.37Å; T525-D527 PolarHBondContact OG1-N 3.44Å; T525-D527 VanDerWaalsContact OG1-N 3.1Å; T525-D527 PolarHBondContact OG1-O 2.6Å; D527-P529 WeakPolarHBondContact O-CD 3.26Å; D527-P529 VanDerWaalsContact O-N 3.11Å
528	D	74.3	Confident	87.8	Confident	68 Å²	68	52.5 Å²	52.5	36%	0.364	29%	0.288	S	S	.	.			trans	-59.8	116.6	177.4	-66.8	-17.5	0	0	0	109.5	K520 I530	K520-D528 WeakPolarHBondContact CE-OD1 3.33Å; K520-D528 IonicContact NZ-OD1 3.85Å; K520-D528 PolarHBondContact NZ-OD1 2.88Å; D528-I530 PolarHBondContact O-N 3.35Å
529	P	73.8	Confident	87.8	Confident	23 Å²	23	54.6 Å²	54.6	15%	0.149	30%	0.298	C	S	.	.	S	Bend	trans	-67.1	-23	-172.1	23.6	-32.5	0	0	0	113.2	Y341 L519 K520 L523 T525 D527	Y341-P529 WeakPolarHBondContact CD1-O 3.43Å; L519-P529 HydrophobicContact CB-CG 4.4Å; K520-P529 HydrophobicContact CG-CG 4.36Å; L523-P529 HydrophobicContact CB-CB 3.9Å; L523-P529 HydrophobicContact CD1-CB 3.48Å; L523-P529 VanDerWaalsContact CD1-CB 3.48Å; L523-P529 HydrophobicContact CD1-CG 4.08Å; L523-P529 HydrophobicContact CG-CB 4.3Å; T525-P529 HydrophobicContact CG2-CB 3.49Å; T525-P529 VanDerWaalsContact CG2-CB 3.49Å; T525-P529 HydrophobicContact CG2-CG 4.25Å; D527-P529 WeakPolarHBondContact O-CD 3.26Å; D527-P529 VanDerWaalsContact O-N 3.11Å
530	I	83.2	Confident	87.6	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-130.7	139.8	-175.8	-59.2	173.4	0	0	0	103.6	L338 Y341 F342 D528 K532 L534 L535 L538	L338-I530 HydrophobicContact CD2-CD1 4.36Å; L338-I530 HydrophobicContact CD2-CG2 4.27Å; Y341-I530 HydrophobicContact CD1-CG1 4.19Å; Y341-I530 HydrophobicContact CD2-CG1 4.29Å; Y341-I530 HydrophobicContact CD2-CG2 4.19Å; Y341-I530 HydrophobicContact CE2-CG2 4.21Å; Y341-I530 HydrophobicContact CG-CG1 3.86Å; Y341-I530 HydrophobicContact CG-CG2 4.5Å; F342-I530 HydrophobicContact CE1-CD1 4.48Å; F342-I530 HydrophobicContact CE2-CD1 4.21Å; F342-I530 HydrophobicContact CZ-CD1 3.71Å; D528-I530 PolarHBondContact O-N 3.35Å; I530-K532 PolarHBondContact O-N 3.05Å; I530-L534 HydrophobicContact CG2-CB 3.8Å; I530-L534 HydrophobicContact CG2-CD2 3.62Å; I530-L534 HydrophobicContact CG2-CG 3.6Å; I530-L535 HydrophobicContact CB-CB 4.24Å; I530-L535 HydrophobicContact CD1-CD1 4.46Å; I530-L535 HydrophobicContact CG2-CB 4.39Å; I530-L538 HydrophobicContact CD1-CD2 4.17Å
531	P	87.9	Confident	87.7	Confident	66 Å²	66	57.2 Å²	57.2	43%	0.429	32%	0.315	S	S	.	.			trans	-45.1	132.2	175.5	-30.2	34.9	0	0	0	111.3	Y341 D533 L534 L535	Y341-P531 WeakPolarHBondContact OH-CD 2.9Å; Y341-P531 VanDerWaalsContact OH-CG 3.31Å; Y341-P531 WeakPolarHBondContact OH-CG 2.77Å; P531-D533 PolarHBondContact O-N 3.37Å; P531-L534 HydrophobicContact CB-CB 4.32Å; P531-L534 CarbonylContact O-C 2.84Å; P531-L534 WeakPolarHBondContact O-CA 3.25Å; P531-L534 WeakPolarHBondContact O-CB 3.33Å; P531-L534 PolarHBondContact O-N 2.9Å; P531-L535 PolarHBondContact O-N 3.09Å
532	K	86.1	Confident	87.7	Confident	150 Å²	150	58.5 Å²	58.5	65%	0.652	31%	0.314	S	S	*	.	H	α-helix	trans	-48.5	-43.1	-168.5	-172.6	177.3	-179.8	178.8	0	113.9	I530 L535 A536	I530-K532 PolarHBondContact O-N 3.05Å; K532-L535 PolarHBondContact O-N 3.35Å; K532-A536 WeakPolarHBondContact O-CB 3.22Å; K532-A536 PolarHBondContact O-N 3.3Å
533	D	87.3	Confident	87.7	Confident	127 Å²	127	59.9 Å²	59.9	68%	0.679	32%	0.321	S	S	*	.	H	α-helix	trans	-66.4	-42.4	178.4	-62.2	-24.6	0	0	0	111.8	P531 L535 A536 N537	P531-D533 PolarHBondContact O-N 3.37Å; D533-L535 VanDerWaalsContact C-N 3.34Å; D533-L535 PolarHBondContact O-N 2.96Å; D533-A536 PolarHBondContact O-N 3.47Å; D533-N537 WeakPolarHBondContact O-CB 3.47Å; D533-N537 PolarHBondContact O-N 2.99Å; D533-N537 PolarHBondContact O-ND2 3.2Å; D533-N537 PolarHBondContact O-OD1 3.2Å
534	L	88.3	Confident	87.7	Confident	30 Å²	30	59.5 Å²	59.5	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-36	177.3	-178.4	61	0	0	0	111.7	L338 Y341 I530 P531 N537 L538	L338-L534 HydrophobicContact CD1-CD1 4.01Å; L338-L534 HydrophobicContact CD2-CD1 4.01Å; L338-L534 HydrophobicContact CD2-CD2 3.91Å; L338-L534 HydrophobicContact CD2-CG 3.76Å; L338-L534 HydrophobicContact CG-CD1 3.86Å; L338-L534 HydrophobicContact CG-CD2 4.07Å; L338-L534 HydrophobicContact CG-CG 4.09Å; Y341-L534 HydrophobicContact CD2-CD2 4.27Å; Y341-L534 HydrophobicContact CE2-CD2 3.55Å; I530-L534 HydrophobicContact CG2-CB 3.8Å; I530-L534 HydrophobicContact CG2-CD2 3.62Å; I530-L534 HydrophobicContact CG2-CG 3.6Å; P531-L534 HydrophobicContact CB-CB 4.32Å; P531-L534 CarbonylContact O-C 2.84Å; P531-L534 WeakPolarHBondContact O-CA 3.25Å; P531-L534 WeakPolarHBondContact O-CB 3.33Å; P531-L534 PolarHBondContact O-N 2.9Å; L534-N537 PolarHBondContact O-N 2.88Å; L534-L538 WeakPolarHBondContact O-CB 3.45Å; L534-L538 PolarHBondContact O-N 3.19Å
535	L	89	Confident	88	Confident	6 Å²	6	54 Å²	54	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-46.2	173.2	179.4	58.6	0	0	0	111.5	V516 L519 I530 P531 K532 D533 N537 L538 I539	V516-L535 HydrophobicContact CB-CD2 4.48Å; V516-L535 HydrophobicContact CG1-CD2 4.01Å; V516-L535 HydrophobicContact CG2-CD2 4.02Å; V516-L535 HydrophobicContact CG2-CG 4.36Å; L519-L535 HydrophobicContact CD1-CD1 3.45Å; L519-L535 VanDerWaalsContact CD1-CD1 3.45Å; I530-L535 HydrophobicContact CB-CB 4.24Å; I530-L535 HydrophobicContact CD1-CD1 4.46Å; I530-L535 HydrophobicContact CG2-CB 4.39Å; P531-L535 PolarHBondContact O-N 3.09Å; K532-L535 PolarHBondContact O-N 3.35Å; D533-L535 VanDerWaalsContact C-N 3.34Å; D533-L535 PolarHBondContact O-N 2.96Å; L535-N537 VanDerWaalsContact C-N 3.33Å; L535-N537 PolarHBondContact O-N 2.94Å; L535-L538 PolarHBondContact O-N 2.72Å; L535-I539 HydrophobicContact CD1-CD1 4.05Å; L535-I539 HydrophobicContact CD1-CG1 4.42Å; L535-I539 HydrophobicContact CG-CD1 4.17Å; L535-I539 WeakPolarHBondContact O-CG1 3.47Å; L535-I539 PolarHBondContact O-N 3.24Å
536	A	90	Very high	88.4	Confident	44 Å²	44	52.5 Å²	52.5	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-42.7	176	0	0	0	0	0	111.5	K532 D533 I539 N540	K532-A536 WeakPolarHBondContact O-CB 3.22Å; K532-A536 PolarHBondContact O-N 3.3Å; D533-A536 PolarHBondContact O-N 3.47Å; A536-I539 PolarHBondContact O-N 2.86Å; A536-N540 VanDerWaalsContact O-CB 3.31Å; A536-N540 WeakPolarHBondContact O-CB 3.38Å; A536-N540 PolarHBondContact O-N 3.33Å; A536-N540 PolarHBondContact O-ND2 3.26Å; A536-N540 VanDerWaalsContact O-ND2 3.08Å
537	N	92.9	Very high	89.2	Confident	45 Å²	45	45.1 Å²	45.1	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-46.5	175.4	-71.3	-9.3	0	0	0	111.9	Y331 S332 V333 D533 L534 L535 I539 N540 S541	Y331-N537 VanDerWaalsContact O-CB 3.22Å; Y331-N537 WeakPolarHBondContact O-CB 3.46Å; Y331-N537 VanDerWaalsContact O-CG 3.32Å; S332-N537 WeakPolarHBondContact CB-ND2 3.46Å; S332-N537 PolarHBondContact O-ND2 3.11Å; V333-N537 VanDerWaalsContact CG2-C 3.44Å; V333-N537 HydrophobicContact CG2-CB 3.87Å; V333-N537 VanDerWaalsContact CG2-O 3.32Å; V333-N537 WeakPolarHBondContact CG2-O 3.36Å; D533-N537 WeakPolarHBondContact O-CB 3.47Å; D533-N537 PolarHBondContact O-N 2.99Å; D533-N537 PolarHBondContact O-ND2 3.2Å; D533-N537 PolarHBondContact O-OD1 3.2Å; L534-N537 PolarHBondContact O-N 2.88Å; L535-N537 VanDerWaalsContact C-N 3.33Å; L535-N537 PolarHBondContact O-N 2.94Å; N537-I539 PolarHBondContact O-N 2.91Å; N537-N540 PolarHBondContact O-N 3.46Å; N537-S541 WeakPolarHBondContact O-CB 3.4Å; N537-S541 PolarHBondContact O-N 2.66Å
538	L	92.5	Very high	90	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-56.9	-51.9	176.1	175.2	63.3	0	0	0	111.2	L338 F342 H466 W514 L519 I530 L534 L535 N540 S541	L338-L538 HydrophobicContact CD1-CD1 4.42Å; L338-L538 HydrophobicContact CD2-CB 4.48Å; L338-L538 HydrophobicContact CD2-CD2 4.23Å; F342-L538 HydrophobicContact CZ-CD2 4.29Å; H466-L538 HydrophobicContact CB-CD1 4.33Å; W514-L538 HydrophobicContact CZ3-CD1 4.41Å; L519-L538 HydrophobicContact CD1-CD2 4.17Å; I530-L538 HydrophobicContact CD1-CD2 4.17Å; L534-L538 WeakPolarHBondContact O-CB 3.45Å; L534-L538 PolarHBondContact O-N 3.19Å; L535-L538 PolarHBondContact O-N 2.72Å; L538-N540 VanDerWaalsContact C-N 3.35Å; L538-N540 PolarHBondContact O-N 2.98Å; L538-S541 WeakPolarHBondContact O-CB 3.41Å; L538-S541 PolarHBondContact O-N 2.97Å; L538-S541 VanDerWaalsContact O-N 3.13Å; L538-S541 PolarHBondContact O-OG 2.95Å
539	I	92.7	Very high	91.1	Very high	46 Å²	46	40.7 Å²	40.7	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-44.4	-179.7	-67.5	169.7	0	0	0	110.8	V516 L535 A536 N537 S541 R542	V516-I539 HydrophobicContact CG2-CD1 3.41Å; V516-I539 VanDerWaalsContact CG2-CD1 3.41Å; L535-I539 HydrophobicContact CD1-CD1 4.05Å; L535-I539 HydrophobicContact CD1-CG1 4.42Å; L535-I539 HydrophobicContact CG-CD1 4.17Å; L535-I539 WeakPolarHBondContact O-CG1 3.47Å; L535-I539 PolarHBondContact O-N 3.24Å; A536-I539 PolarHBondContact O-N 2.86Å; N537-I539 PolarHBondContact O-N 2.91Å; I539-S541 PolarHBondContact O-N 3.35Å; I539-R542 VanDerWaalsContact O-CB 3.29Å; I539-R542 WeakPolarHBondContact O-CB 3.32Å; I539-R542 PolarHBondContact O-N 3.09Å
540	N	92	Very high	92.1	Very high	91 Å²	91	40.8 Å²	40.8	49%	0.487	21%	0.213	S	C	.	.	H	α-helix	trans	-63.8	-30	177.8	-74.5	-33.7	0	0	0	112.5	Y331 A536 N537 L538 R542 I543	Y331-N540 HydrophobicContact CD1-CB 4.3Å; Y331-N540 WeakPolarHBondContact CD1-O 3.38Å; Y331-N540 WeakPolarHBondContact CE1-O 3.2Å; A536-N540 VanDerWaalsContact O-CB 3.31Å; A536-N540 WeakPolarHBondContact O-CB 3.38Å; A536-N540 PolarHBondContact O-N 3.33Å; A536-N540 PolarHBondContact O-ND2 3.26Å; A536-N540 VanDerWaalsContact O-ND2 3.08Å; N537-N540 PolarHBondContact O-N 3.46Å; L538-N540 VanDerWaalsContact C-N 3.35Å; L538-N540 PolarHBondContact O-N 2.98Å; N540-R542 PolarHBondContact O-N 3.13Å; N540-I543 WeakPolarHBondContact O-CG1 3.47Å
541	S	94.3	Very high	92.8	Very high	7 Å²	7	41 Å²	41	5%	0.049	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-71.6	-7.6	178.9	79.3	0	0	0	0	114.4	N537 L538 I539 I543 A544	N537-S541 WeakPolarHBondContact O-CB 3.4Å; N537-S541 PolarHBondContact O-N 2.66Å; L538-S541 WeakPolarHBondContact O-CB 3.41Å; L538-S541 PolarHBondContact O-N 2.97Å; L538-S541 VanDerWaalsContact O-N 3.13Å; L538-S541 PolarHBondContact O-OG 2.95Å; I539-S541 PolarHBondContact O-N 3.35Å; S541-I543 PolarHBondContact O-N 3.3Å; S541-I543 VanDerWaalsContact O-N 3.12Å; S541-A544 WeakPolarHBondContact O-CB 3.3Å; S541-A544 PolarHBondContact O-N 3.43Å
542	R	94.2	Very high	93.2	Very high	55 Å²	55	40.9 Å²	40.9	21%	0.208	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-52.8	-35.1	175.9	-173.8	174.9	-179.9	173.7	2	113.1	N511 W514 I539 N540 I620	N511-R542 PolarHBondContact OD1-NH1 2.91Å; N511-R542 PolarHBondContact OD1-NH2 2.87Å; W514-R542 HydrophobicContact CD2-CB 3.98Å; W514-R542 HydrophobicContact CD2-CG 3.71Å; W514-R542 HydrophobicContact CE3-CB 3.53Å; W514-R542 HydrophobicContact CE3-CG 3.83Å; W514-R542 HydrophobicContact CG-CG 4.16Å; W514-R542 HydrophobicContact CH2-CB 4.2Å; W514-R542 HydrophobicContact CH2-CG 4.35Å; W514-R542 HydrophobicContact CZ2-CG 4.26Å; W514-R542 HydrophobicContact CZ3-CB 3.66Å; W514-R542 HydrophobicContact CZ3-CG 4.15Å; I539-R542 VanDerWaalsContact O-CB 3.29Å; I539-R542 WeakPolarHBondContact O-CB 3.32Å; I539-R542 PolarHBondContact O-N 3.09Å; N540-R542 PolarHBondContact O-N 3.13Å; R542-I620 VanDerWaalsContact NH2-CD1 3.27Å
543	I	94.1	Very high	93.8	Very high	30 Å²	30	35.3 Å²	35.3	15%	0.154	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-90.1	-2.8	-179.9	62.9	163.4	0	0	0	113	Y331 N540 S541 N545 A546 L677 K679	Y331-I543 HydrophobicContact CE1-CG1 4.05Å; N540-I543 WeakPolarHBondContact O-CG1 3.47Å; S541-I543 PolarHBondContact O-N 3.3Å; S541-I543 VanDerWaalsContact O-N 3.12Å; I543-N545 PolarHBondContact O-N 3.11Å; I543-A546 WeakPolarHBondContact O-CB 3.43Å; I543-A546 PolarHBondContact O-N 3.4Å; I543-L677 WeakPolarHBondContact CG2-O 3.43Å; I543-K679 HydrophobicContact CD1-CD 3.99Å
544	A	94.5	Very high	94.2	Very high	12 Å²	12	29.7 Å²	29.7	10%	0.099	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	123.5	-178.3	0	0	0	0	0	110.1	K327 Y331 S541 A546	K327-A544 HydrophobicContact CG-CB 3.98Å; Y331-A544 HydrophobicContact CD2-CB 3.67Å; Y331-A544 HydrophobicContact CE1-CB 4.37Å; Y331-A544 HydrophobicContact CE2-CB 3.44Å; Y331-A544 VanDerWaalsContact CE2-CB 3.44Å; Y331-A544 HydrophobicContact CG-CB 4.24Å; S541-A544 WeakPolarHBondContact O-CB 3.3Å; S541-A544 PolarHBondContact O-N 3.43Å; A544-A546 PolarHBondContact O-N 3.23Å
545	N	96.2	Very high	94.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	21.6	-179	-42.7	-70	0	0	0	114	E291 M323 I543 G547 L548 F549	E291-N545 VanDerWaalsContact OE1-C 3.28Å; E291-N545 WeakPolarHBondContact OE1-CA 3.28Å; E291-N545 PolarHBondContact OE1-N 2.94Å; E291-N545 VanDerWaalsContact OE2-C 3.31Å; E291-N545 WeakPolarHBondContact OE2-CA 3.27Å; M323-N545 HydrophobicContact CB-CB 4.44Å; M323-N545 HydrophobicContact CE-CB 3.37Å; M323-N545 HydrophobicContact CG-CB 3.97Å; M323-N545 PolarHBondContact O-ND2 3.29Å; M323-N545 HydrophobicContact SD-CB 4.41Å; I543-N545 PolarHBondContact O-N 3.11Å; N545-G547 VanDerWaalsContact C-N 3.28Å; N545-G547 PolarHBondContact O-N 3.01Å; N545-L548 PolarHBondContact O-N 3.3Å; N545-F549 WeakPolarHBondContact O-CB 3.37Å; N545-F549 PolarHBondContact O-N 3.4Å
546	A	95.1	Very high	95.1	Very high	9 Å²	9	28.3 Å²	28.3	7%	0.074	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-36.3	-177.2	0	0	0	0	0	111.7	E291 I543 A544 F549 Y550 L678	E291-A546 PolarHBondContact OE1-N 3.47Å; E291-A546 VanDerWaalsContact OE1-N 3.08Å; I543-A546 WeakPolarHBondContact O-CB 3.43Å; I543-A546 PolarHBondContact O-N 3.4Å; A544-A546 PolarHBondContact O-N 3.23Å; A546-F549 PolarHBondContact O-N 3.23Å; A546-Y550 HydrophobicContact CB-CD2 4.23Å; A546-Y550 HydrophobicContact CB-CE2 4.09Å; A546-Y550 WeakPolarHBondContact O-CB 3.38Å; A546-Y550 WeakPolarHBondContact O-CD2 3.15Å; A546-Y550 PolarHBondContact O-N 3.1Å; A546-L678 HydrophobicContact CB-CD2 3.67Å
547	G	95.7	Very high	95.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-49.8	176.2	0	0	0	0	0	111.9	E291 N545 S551	E291-G547 PolarHBondContact OE1-N 2.85Å; E291-G547 WeakPolarHBondContact OE2-CA 3.28Å; E291-G547 PolarHBondContact OE2-N 3.17Å; N545-G547 VanDerWaalsContact C-N 3.28Å; N545-G547 PolarHBondContact O-N 3.01Å; G547-S551 WeakPolarHBondContact O-CB 3.48Å; G547-S551 PolarHBondContact O-N 2.92Å; G547-S551 PolarHBondContact O-OG 3.34Å
548	L	96.5	Very high	95.5	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-44	175.8	-72.5	169.1	0	0	0	112.2	R288 E291 L295 M323 N545 S551 R552	R288-L548 HydrophobicContact CG-CD2 4.02Å; E291-L548 HydrophobicContact CB-CD1 3.79Å; E291-L548 HydrophobicContact CB-CG 3.95Å; E291-L548 PolarHBondContact OE2-N 2.95Å; L295-L548 HydrophobicContact CD1-CD1 3.52Å; L295-L548 HydrophobicContact CG-CD1 4.08Å; M323-L548 HydrophobicContact CG-CD1 4.4Å; N545-L548 PolarHBondContact O-N 3.3Å; L548-S551 PolarHBondContact O-N 3.11Å; L548-R552 WeakPolarHBondContact O-CB 3.38Å; L548-R552 PolarHBondContact O-N 3.02Å
549	F	96	Very high	95.8	Very high	99 Å²	99	25.1 Å²	25.1	43%	0.434	12%	0.123	S	C	.	.	H	α-helix	trans	-59.8	-52.4	178.9	175.4	-96.8	0	0	0	111.7	N545 A546 R552 Q553	N545-F549 WeakPolarHBondContact O-CB 3.37Å; N545-F549 PolarHBondContact O-N 3.4Å; A546-F549 PolarHBondContact O-N 3.23Å; F549-R552 WeakPolarHBondContact O-CB 3.42Å; F549-R552 PolarHBondContact O-N 2.89Å; F549-Q553 HydrophobicContact CE1-CG 4.21Å; F549-Q553 HydrophobicContact CZ-CG 4.4Å; F549-Q553 PolarHBondContact O-N 3.37Å; F549-Q553 VanDerWaalsContact O-N 3.11Å
550	Y	96.5	Very high	96	Very high	24 Å²	24	22.9 Å²	22.9	9%	0.094	11%	0.112	C	C	.	.	H	α-helix	trans	-70.9	-32.1	179.9	-67.8	-55.4	0	0	0	112.4	L284 A546 R552 Q553 I554 L613 R616 F674 L678	L284-Y550 VanDerWaalsContact CD1-CB 3.5Å; L284-Y550 HydrophobicContact CD1-CG 4.43Å; A546-Y550 HydrophobicContact CB-CD2 4.23Å; A546-Y550 HydrophobicContact CB-CE2 4.09Å; A546-Y550 WeakPolarHBondContact O-CB 3.38Å; A546-Y550 WeakPolarHBondContact O-CD2 3.15Å; A546-Y550 PolarHBondContact O-N 3.1Å; Y550-R552 PolarHBondContact O-N 2.86Å; Y550-Q553 WeakPolarHBondContact O-CB 3.23Å; Y550-Q553 PolarHBondContact O-N 2.83Å; Y550-Q553 VanDerWaalsContact O-N 3.11Å; Y550-I554 WeakPolarHBondContact O-CG1 3.38Å; Y550-I554 PolarHBondContact O-N 3.47Å; Y550-L613 HydrophobicContact CD1-CD2 3.61Å; Y550-L613 HydrophobicContact CE1-CD2 4.32Å; Y550-L613 HydrophobicContact CG-CD2 4.46Å; Y550-R616 HydrophobicContact CE1-CG 4.05Å; Y550-F674 HydrophobicContact CD1-CZ 4.28Å; Y550-F674 HydrophobicContact CD2-CE2 4.44Å; Y550-F674 AromaticContact CD2-CZ 3.87Å; Y550-F674 HydrophobicContact CD2-CZ 3.87Å; Y550-F674 AromaticContact CE1-CE2 3.99Å; Y550-F674 HydrophobicContact CE1-CE2 3.99Å; Y550-F674 HydrophobicContact CE1-CZ 4.13Å; Y550-F674 AromaticContact CE2-CE2 3.86Å; Y550-F674 HydrophobicContact CE2-CE2 3.86Å; Y550-F674 AromaticContact CE2-CZ 3.73Å; Y550-F674 HydrophobicContact CE2-CZ 3.73Å; Y550-F674 HydrophobicContact CG-CZ 4.16Å; Y550-F674 AromaticContact CZ-CE2 3.6Å; Y550-F674 AromaticContact CZ-CZ 3.86Å; Y550-L678 HydrophobicContact CD2-CD1 4.1Å; Y550-L678 HydrophobicContact CE2-CD1 4.11Å; Y550-L678 HydrophobicContact CE2-CD2 3.98Å
551	S	97	Very high	96.1	Very high	4 Å²	4	18.9 Å²	18.9	3%	0.028	9%	0.09	C	C	.	.	H	α-helix	trans	-64.2	-32	172.2	-58.7	0	0	0	0	112.2	R288 G547 L548 I554 L555	R288-S551 VanDerWaalsContact CD-OG 3.31Å; R288-S551 WeakPolarHBondContact CD-OG 3.24Å; G547-S551 WeakPolarHBondContact O-CB 3.48Å; G547-S551 PolarHBondContact O-N 2.92Å; G547-S551 PolarHBondContact O-OG 3.34Å; L548-S551 PolarHBondContact O-N 3.11Å; S551-I554 PolarHBondContact O-N 2.97Å; S551-L555 PolarHBondContact O-N 3.02Å
552	R	97	Very high	96.2	Very high	65 Å²	65	19.1 Å²	19.1	25%	0.245	9%	0.092	C	C	.	.	H	α-helix	trans	-70.5	-35	172.3	176.1	57.6	173.5	50.1	-7.9	111.8	L548 F549 Y550 L555 L556 L584	L548-R552 WeakPolarHBondContact O-CB 3.38Å; L548-R552 PolarHBondContact O-N 3.02Å; F549-R552 WeakPolarHBondContact O-CB 3.42Å; F549-R552 PolarHBondContact O-N 2.89Å; Y550-R552 PolarHBondContact O-N 2.86Å; R552-L555 WeakPolarHBondContact O-CB 3.5Å; R552-L555 PolarHBondContact O-N 3.32Å; R552-L556 VanDerWaalsContact NH1-CG 3.31Å; R552-L556 WeakPolarHBondContact O-CG 3.4Å; R552-L556 PolarHBondContact O-N 3.42Å; R552-L584 HydrophobicContact CB-CD2 4.09Å
553	Q	97.1	Very high	96.3	Very high	32 Å²	32	16.6 Å²	16.6	15%	0.15	8%	0.083	C	C	.	.	H	α-helix	trans	-66.4	-39.7	171.1	-63.1	-59.6	-35.4	0	0	111.6	F549 Y550 L556 A557 L613	F549-Q553 HydrophobicContact CE1-CG 4.21Å; F549-Q553 HydrophobicContact CZ-CG 4.4Å; F549-Q553 PolarHBondContact O-N 3.37Å; F549-Q553 VanDerWaalsContact O-N 3.11Å; Y550-Q553 WeakPolarHBondContact O-CB 3.23Å; Y550-Q553 PolarHBondContact O-N 2.83Å; Y550-Q553 VanDerWaalsContact O-N 3.11Å; Q553-L556 PolarHBondContact O-N 3.09Å; Q553-A557 WeakPolarHBondContact O-CB 3.16Å; Q553-A557 PolarHBondContact O-N 2.92Å; Q553-L613 HydrophobicContact CB-CD1 3.73Å; Q553-L613 HydrophobicContact CB-CD2 3.7Å; Q553-L613 HydrophobicContact CB-CG 3.72Å; Q553-L613 HydrophobicContact CG-CD2 4.24Å
554	I	97.4	Very high	96.3	Very high	10 Å²	10	15.3 Å²	15.3	5%	0.051	8%	0.076	C	C	.	.	H	α-helix	trans	-61.7	-44.9	174.2	-67.9	167.8	0	0	0	110.4	L280 L284 Y550 S551 L556 A557 S558 L613	L280-I554 HydrophobicContact CB-CD1 4.46Å; L280-I554 HydrophobicContact CD2-CD1 4.45Å; L280-I554 HydrophobicContact CG-CD1 4.17Å; L284-I554 HydrophobicContact CD1-CD1 3.91Å; Y550-I554 WeakPolarHBondContact O-CG1 3.38Å; Y550-I554 PolarHBondContact O-N 3.47Å; S551-I554 PolarHBondContact O-N 2.97Å; I554-L556 VanDerWaalsContact C-N 3.3Å; I554-L556 PolarHBondContact O-N 3.35Å; I554-A557 PolarHBondContact O-N 3.24Å; I554-S558 VanDerWaalsContact O-CB 3.26Å; I554-S558 WeakPolarHBondContact O-CB 3.32Å; I554-S558 PolarHBondContact O-N 3.04Å; I554-S558 PolarHBondContact O-OG 3.02Å; I554-S558 VanDerWaalsContact O-OG 3.05Å; I554-L613 HydrophobicContact CG1-CD1 3.64Å
555	L	97.2	Very high	96.3	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-51.6	-50.6	173.8	167.6	58.6	0	0	0	111.5	S551 R552 S558 F559 F576 L579 S580 C583 L584	S551-L555 PolarHBondContact O-N 3.02Å; R552-L555 WeakPolarHBondContact O-CB 3.5Å; R552-L555 PolarHBondContact O-N 3.32Å; L555-S558 PolarHBondContact O-N 2.77Å; L555-F559 WeakPolarHBondContact O-CB 3.2Å; L555-F559 PolarHBondContact O-N 3.18Å; L555-F576 HydrophobicContact CD1-CD2 4.41Å; L555-F576 HydrophobicContact CD1-CE2 4.2Å; L555-F576 HydrophobicContact CD2-CE2 4.09Å; L555-F576 HydrophobicContact CD2-CZ 4.11Å; L555-F576 HydrophobicContact CG-CE2 4.09Å; L555-L579 HydrophobicContact CD1-CB 3.5Å; L555-L579 VanDerWaalsContact CD1-CB 3.5Å; L555-S580 VanDerWaalsContact CD1-N 3.33Å; L555-C583 HydrophobicContact CB-CB 3.87Å; L555-L584 HydrophobicContact CD2-CD1 3.62Å; L555-L584 HydrophobicContact CD2-CG 4.21Å
556	L	97.8	Very high	95.7	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-45.1	-178.3	-66.4	-166	0	0	0	112.4	R552 Q553 I554 F559 D560 F576 W594 F598 F609	R552-L556 VanDerWaalsContact NH1-CG 3.31Å; R552-L556 WeakPolarHBondContact O-CG 3.4Å; R552-L556 PolarHBondContact O-N 3.42Å; Q553-L556 PolarHBondContact O-N 3.09Å; I554-L556 VanDerWaalsContact C-N 3.3Å; I554-L556 PolarHBondContact O-N 3.35Å; L556-F559 PolarHBondContact O-N 3.5Å; L556-D560 WeakPolarHBondContact O-CB 3.25Å; L556-D560 PolarHBondContact O-N 3.34Å; L556-F576 HydrophobicContact CD2-CE2 4.26Å; L556-W594 HydrophobicContact CD1-CH2 3.75Å; L556-W594 HydrophobicContact CD1-CZ3 4.09Å; L556-W594 HydrophobicContact CD2-CE3 4.04Å; L556-W594 HydrophobicContact CD2-CH2 3.84Å; L556-W594 HydrophobicContact CD2-CZ3 3.28Å; L556-W594 HydrophobicContact CG-CH2 4.44Å; L556-W594 HydrophobicContact CG-CZ3 4.3Å; L556-F598 HydrophobicContact CB-CE1 4.25Å; L556-F598 HydrophobicContact CB-CZ 4.21Å; L556-F598 HydrophobicContact CD1-CE1 4.34Å; L556-F598 HydrophobicContact CD1-CE2 4.06Å; L556-F598 HydrophobicContact CD1-CZ 3.81Å; L556-F598 HydrophobicContact CD2-CE1 4.45Å; L556-F598 HydrophobicContact CG-CZ 4.46Å; L556-F609 HydrophobicContact CB-CD1 3.68Å; L556-F609 HydrophobicContact CB-CE1 3.43Å; L556-F609 VanDerWaalsContact CB-CE1 3.43Å; L556-F609 HydrophobicContact CB-CZ 4.32Å; L556-F609 HydrophobicContact CD1-CE1 3.73Å; L556-F609 HydrophobicContact CD1-CZ 3.82Å; L556-F609 HydrophobicContact CG-CE1 4.23Å
557	A	96.6	Very high	95.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-64.9	-40.8	178.1	0	0	0	0	0	111.8	L277 Q553 I554 D560 Q561 F609	L277-A557 HydrophobicContact CD1-CB 3.84Å; L277-A557 HydrophobicContact CD2-CB 3.75Å; L277-A557 HydrophobicContact CG-CB 4.48Å; Q553-A557 WeakPolarHBondContact O-CB 3.16Å; Q553-A557 PolarHBondContact O-N 2.92Å; I554-A557 PolarHBondContact O-N 3.24Å; A557-D560 PolarHBondContact O-N 3.36Å; A557-Q561 WeakPolarHBondContact O-CB 3.38Å; A557-Q561 VanDerWaalsContact O-CG 3.32Å; A557-Q561 WeakPolarHBondContact O-CG 2.98Å; A557-Q561 PolarHBondContact O-N 3.4Å; A557-F609 HydrophobicContact CB-CD1 4.28Å
558	S	96.1	Very high	94.4	Very high	24 Å²	24	24.7 Å²	24.7	17%	0.168	12%	0.122	C	C	.	.	H	α-helix	trans	-67.8	-36.6	175.9	-65.9	0	0	0	0	112.3	I554 L555 A562	I554-S558 VanDerWaalsContact O-CB 3.26Å; I554-S558 WeakPolarHBondContact O-CB 3.32Å; I554-S558 PolarHBondContact O-N 3.04Å; I554-S558 PolarHBondContact O-OG 3.02Å; I554-S558 VanDerWaalsContact O-OG 3.05Å; L555-S558 PolarHBondContact O-N 2.77Å; S558-A562 VanDerWaalsContact O-CB 3.25Å; S558-A562 WeakPolarHBondContact O-CB 3.46Å; S558-A562 PolarHBondContact O-N 2.92Å
559	F	97.2	Very high	93.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-48	174.5	175.5	-105	0	0	0	111.2	L238 L555 L556 Q561 A562 I563 P572 T575 F576 L579 F593 P595 L601	L238-F559 HydrophobicContact CD2-CZ 4.45Å; L555-F559 WeakPolarHBondContact O-CB 3.2Å; L555-F559 PolarHBondContact O-N 3.18Å; L556-F559 PolarHBondContact O-N 3.5Å; F559-Q561 VanDerWaalsContact C-N 3.34Å; F559-Q561 PolarHBondContact O-N 3.34Å; F559-A562 PolarHBondContact O-N 3.24Å; F559-I563 HydrophobicContact CD2-CG2 4.14Å; F559-I563 HydrophobicContact CE1-CD1 4Å; F559-I563 HydrophobicContact CE1-CG2 4.35Å; F559-I563 HydrophobicContact CE2-CG2 3.58Å; F559-I563 HydrophobicContact CZ-CD1 4.22Å; F559-I563 HydrophobicContact CZ-CG2 3.72Å; F559-I563 PolarHBondContact O-N 3.35Å; F559-I563 VanDerWaalsContact O-N 3.09Å; F559-P572 HydrophobicContact CE2-CB 4.24Å; F559-P572 VanDerWaalsContact CE2-O 3.29Å; F559-P572 WeakPolarHBondContact CE2-O 3.34Å; F559-P572 HydrophobicContact CZ-CB 4.01Å; F559-T575 HydrophobicContact CD2-CG2 4.1Å; F559-T575 HydrophobicContact CE2-CG2 4.23Å; F559-F576 HydrophobicContact CB-CD2 4.2Å; F559-F576 HydrophobicContact CD1-CD2 4.24Å; F559-F576 HydrophobicContact CD2-CB 3.77Å; F559-F576 AromaticContact CD2-CD2 3.91Å; F559-F576 HydrophobicContact CD2-CD2 3.91Å; F559-F576 HydrophobicContact CD2-CG 4.36Å; F559-F576 HydrophobicContact CE2-CB 3.68Å; F559-F576 HydrophobicContact CE2-CD2 4.4Å; F559-F576 AromaticContact CG-CD2 3.82Å; F559-F576 HydrophobicContact CG-CD2 3.82Å; F559-F576 HydrophobicContact CZ-CB 4.36Å; F559-L579 VanDerWaalsContact CA-CD1 3.47Å; F559-L579 HydrophobicContact CB-CD1 3.92Å; F559-L579 HydrophobicContact CD2-CD1 4.26Å; F559-F593 HydrophobicContact CZ-CE2 4.25Å; F559-F593 HydrophobicContact CZ-CZ 4.15Å; F559-P595 HydrophobicContact CD1-CB 4.28Å; F559-P595 HydrophobicContact CD1-CG 4.24Å; F559-P595 HydrophobicContact CE1-CB 3.51Å; F559-P595 HydrophobicContact CE1-CG 3.79Å; F559-P595 HydrophobicContact CZ-CB 3.93Å; F559-P595 HydrophobicContact CZ-CG 4.05Å; F559-L601 HydrophobicContact CD1-CD1 4.45Å; F559-L601 HydrophobicContact CE1-CD1 3.77Å
560	D	96.8	Very high	93.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-45.4	174.5	175.9	50.6	0	0	0	111.7	L556 A557 H564 L601 G607 R608 F609	L556-D560 WeakPolarHBondContact O-CB 3.25Å; L556-D560 PolarHBondContact O-N 3.34Å; A557-D560 PolarHBondContact O-N 3.36Å; D560-H564 WeakPolarHBondContact O-CB 3.25Å; D560-H564 PolarHBondContact O-N 3.18Å; D560-H564 PolarHBondContact O-ND1 2.86Å; D560-H564 IonicContact OD1-CE1 2.72Å; D560-H564 PolarHBondContact OD1-CE1 3.03Å; D560-H564 IonicContact OD1-ND1 3.6Å; D560-H564 PolarHBondContact OD1-ND1 3.37Å; D560-L601 HydrophobicContact CB-CD2 3.99Å; D560-G607 VanDerWaalsContact CG-N 3.33Å; D560-G607 PolarHBondContact OD1-N 3.33Å; D560-G607 VanDerWaalsContact OD2-C 3.3Å; D560-G607 VanDerWaalsContact OD2-CA 3.25Å; D560-G607 WeakPolarHBondContact OD2-CA 3.42Å; D560-G607 PolarHBondContact OD2-N 2.89Å; D560-G607 VanDerWaalsContact OD2-N 3.12Å; D560-R608 PolarHBondContact OD2-N 3.35Å; D560-F609 HydrophobicContact CB-CB 4.01Å; D560-F609 WeakPolarHBondContact OD2-CB 3.48Å; D560-F609 PolarHBondContact OD2-N 3.48Å
561	Q	95.1	Very high	93.7	Very high	7 Å²	7	32 Å²	32	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-49.2	173.1	-72.9	-59.2	-74.9	0	0	111.8	I273 L277 A557 F559 I563 H564 T565 G607	I273-Q561 HydrophobicContact CG2-CG 3.89Å; L277-Q561 HydrophobicContact CD1-CG 4.33Å; A557-Q561 WeakPolarHBondContact O-CB 3.38Å; A557-Q561 VanDerWaalsContact O-CG 3.32Å; A557-Q561 WeakPolarHBondContact O-CG 2.98Å; A557-Q561 PolarHBondContact O-N 3.4Å; F559-Q561 VanDerWaalsContact C-N 3.34Å; F559-Q561 PolarHBondContact O-N 3.34Å; Q561-I563 PolarHBondContact O-N 2.97Å; Q561-H564 CarbonylContact O-C 3.35Å; Q561-H564 PolarHBondContact O-N 3.18Å; Q561-H564 VanDerWaalsContact O-N 3.09Å; Q561-T565 WeakPolarHBondContact O-CB 3.38Å; Q561-T565 WeakPolarHBondContact O-CG2 3.42Å; Q561-T565 PolarHBondContact O-N 3.34Å; Q561-T565 PolarHBondContact O-OG1 2.85Å; Q561-G607 PolarHBondContact NE2-O 2.9Å
562	A	95.4	Very high	93.6	Very high	11 Å²	11	31.9 Å²	31.9	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-47.2	-174.4	0	0	0	0	0	112.4	S558 F559 H564 T565 T566 N567 T575 L579	S558-A562 VanDerWaalsContact O-CB 3.25Å; S558-A562 WeakPolarHBondContact O-CB 3.46Å; S558-A562 PolarHBondContact O-N 2.92Å; F559-A562 PolarHBondContact O-N 3.24Å; A562-H564 VanDerWaalsContact C-N 3.25Å; A562-H564 PolarHBondContact O-N 3.45Å; A562-T565 PolarHBondContact O-N 3.2Å; A562-T566 PolarHBondContact O-N 3.18Å; A562-N567 HydrophobicContact CB-CB 4.41Å; A562-N567 PolarHBondContact O-N 2.81Å; A562-T575 HydrophobicContact CB-CG2 3.88Å; A562-L579 HydrophobicContact CB-CD1 4.17Å
563	I	96.4	Very high	93.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-72.4	-18.6	-178.8	69.8	172	0	0	0	113.3	L238 M242 F559 Q561 P572 T575 L601	L238-I563 HydrophobicContact CD1-CD1 3.97Å; M242-I563 HydrophobicContact CE-CB 4.06Å; M242-I563 HydrophobicContact CE-CG2 4.24Å; M242-I563 HydrophobicContact CG-CB 4.17Å; M242-I563 HydrophobicContact SD-CB 4.04Å; M242-I563 HydrophobicContact SD-CG2 4.29Å; F559-I563 HydrophobicContact CD2-CG2 4.14Å; F559-I563 HydrophobicContact CE1-CD1 4Å; F559-I563 HydrophobicContact CE1-CG2 4.35Å; F559-I563 HydrophobicContact CE2-CG2 3.58Å; F559-I563 HydrophobicContact CZ-CD1 4.22Å; F559-I563 HydrophobicContact CZ-CG2 3.72Å; F559-I563 PolarHBondContact O-N 3.35Å; F559-I563 VanDerWaalsContact O-N 3.09Å; Q561-I563 PolarHBondContact O-N 2.97Å; I563-P572 HydrophobicContact CG2-CB 4.37Å; I563-T575 HydrophobicContact CG2-CG2 4.49Å; I563-L601 HydrophobicContact CD1-CD1 4.25Å; I563-L601 HydrophobicContact CD1-CD2 4.12Å
564	H	95.4	Very high	93.5	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.019	18%	0.181	C	C	.	.	H	α-helix	trans	-102.6	1.4	178	-65.1	112.4	0	0	0	113.9	R245 T256 H257 A258 D560 Q561 A562 G607	R245-H564 PolarHBondContact NH1-NE2 3.24Å; T256-H564 WeakPolarHBondContact CB-O 3.37Å; H257-H564 HydrophobicContact CB-CB 4.39Å; H257-H564 AromaticContact CD2-CD2 3.3Å; H257-H564 PolarHBondContact CD2-CD2 3.09Å; H257-H564 AromaticContact CD2-CG 3.84Å; H257-H564 PolarHBondContact N-O 3.19Å; A258-H564 HydrophobicContact CB-CB 4.4Å; A258-H564 PolarHBondContact N-O 3.2Å; D560-H564 WeakPolarHBondContact O-CB 3.25Å; D560-H564 PolarHBondContact O-N 3.18Å; D560-H564 PolarHBondContact O-ND1 2.86Å; D560-H564 IonicContact OD1-CE1 2.72Å; D560-H564 PolarHBondContact OD1-CE1 3.03Å; D560-H564 IonicContact OD1-ND1 3.6Å; D560-H564 PolarHBondContact OD1-ND1 3.37Å; Q561-H564 CarbonylContact O-C 3.35Å; Q561-H564 PolarHBondContact O-N 3.18Å; Q561-H564 VanDerWaalsContact O-N 3.09Å; A562-H564 VanDerWaalsContact C-N 3.25Å; A562-H564 PolarHBondContact O-N 3.45Å; H564-G607 PolarHBondContact ND1-N 3.45Å
565	T	93	Very high	93.5	Very high	14 Å²	14	34.5 Å²	34.5	9%	0.086	18%	0.181	C	C	.	.	H	α-helix	trans	-137.9	-42.8	-174.7	59.8	0	0	0	0	117.1	T256 A258 Q561 A562 W568	T256-T565 HydrophobicContact CG2-CG2 4.19Å; T256-T565 WeakPolarHBondContact CG2-O 3.16Å; A258-T565 HydrophobicContact CB-CG2 3.47Å; A258-T565 VanDerWaalsContact CB-CG2 3.47Å; Q561-T565 WeakPolarHBondContact O-CB 3.38Å; Q561-T565 WeakPolarHBondContact O-CG2 3.42Å; Q561-T565 PolarHBondContact O-N 3.34Å; Q561-T565 PolarHBondContact O-OG1 2.85Å; A562-T565 PolarHBondContact O-N 3.2Å; T565-W568 WeakPolarHBondContact O-CH2 3.28Å; T565-W568 WeakPolarHBondContact O-CZ3 3.3Å
566	T	84.3	Confident	93.5	Very high	98 Å²	98	35 Å²	35	60%	0.601	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.1	-21.2	-169	49.3	0	0	0	0	114	A562	A562-T566 PolarHBondContact O-N 3.18Å
567	N	84.8	Confident	93.5	Very high	41 Å²	41	36.7 Å²	36.7	22%	0.219	19%	0.194	C	C	.	.			trans	-119.5	32.1	-169.3	-61.7	80.7	0	0	0	111.8	M242 A562 E569 D570 T575	M242-N567 WeakPolarHBondContact CE-O 3.39Å; A562-N567 HydrophobicContact CB-CB 4.41Å; A562-N567 PolarHBondContact O-N 2.81Å; N567-E569 PolarHBondContact O-N 3.39Å; N567-D570 HydrophobicContact CB-CB 4.11Å; N567-D570 PolarHBondContact ND2-OD2 3.27Å; N567-D570 PolarHBondContact O-N 2.93Å; N567-T575 HydrophobicContact CB-CG2 4.23Å
568	W	79.4	Confident	93.5	Very high	70 Å²	70	41.4 Å²	41.4	27%	0.265	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.9	-177.9	36.4	60.1	0	0	0	114.8	R246 T256 T565	R246-W568 HydrophobicContact CG-CD2 4.2Å; R246-W568 HydrophobicContact CG-CE3 4.24Å; R246-W568 HydrophobicContact CG-CG 4.39Å; T256-W568 HydrophobicContact CG2-CH2 4.24Å; T256-W568 HydrophobicContact CG2-CZ3 3.98Å; T565-W568 WeakPolarHBondContact O-CH2 3.28Å; T565-W568 WeakPolarHBondContact O-CZ3 3.3Å
569	E	86	Confident	93.5	Very high	151 Å²	151	41.5 Å²	41.5	71%	0.706	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-10.4	177.8	-82.4	168.1	-169.4	0	0	112.6	R246 N567	R246-E569 IonicContact CZ-OE1 3.89Å; R246-E569 IonicContact NH1-OE1 3.03Å; R246-E569 PolarHBondContact NH1-OE1 3.18Å; N567-E569 PolarHBondContact O-N 3.39Å
570	D	91.8	Very high	93.5	Very high	78 Å²	78	41.9 Å²	41.9	42%	0.417	22%	0.22	S	C	.	.	S	Bend	trans	-79.2	156.5	-178.2	-68.2	-9.7	0	0	0	110.5	N567 P572	N567-D570 HydrophobicContact CB-CB 4.11Å; N567-D570 PolarHBondContact ND2-OD2 3.27Å; N567-D570 PolarHBondContact O-N 2.93Å; D570-P572 WeakPolarHBondContact O-CD 3.44Å
571	D	95.2	Very high	93.4	Very high	55 Å²	55	47.4 Å²	47.4	29%	0.294	24%	0.244	S	C	.	.			trans	-66.2	120.7	166.7	-162.9	-50.9	0	0	0	109.2	K239 L573 I574 T575	K239-D571 IonicContact NZ-OD1 3.97Å; K239-D571 IonicContact NZ-OD2 2.72Å; K239-D571 PolarHBondContact NZ-OD2 2.93Å; D571-L573 PolarHBondContact O-N 3.2Å; D571-L573 WeakPolarHBondContact OD1-CB 3.27Å; D571-L573 PolarHBondContact OD1-N 3.44Å; D571-I574 HydrophobicContact CB-CB 4.23Å; D571-I574 HydrophobicContact CB-CD1 3.85Å; D571-I574 HydrophobicContact CB-CG1 3.94Å; D571-I574 PolarHBondContact O-N 3.27Å; D571-T575 PolarHBondContact O-N 3.11Å; D571-T575 PolarHBondContact O-OG1 3.44Å
572	P	96.6	Very high	93.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-25.1	179.8	27.2	-35.7	0	0	0	112.2	L238 K239 M242 F559 I563 D570 F576 F593	L238-P572 HydrophobicContact CD2-CB 4.15Å; L238-P572 HydrophobicContact CD2-CG 4.32Å; K239-P572 VanDerWaalsContact CE-CD 3.48Å; K239-P572 HydrophobicContact CG-CG 4.07Å; M242-P572 HydrophobicContact SD-CB 4.13Å; M242-P572 HydrophobicContact SD-CG 4.24Å; F559-P572 HydrophobicContact CE2-CB 4.24Å; F559-P572 VanDerWaalsContact CE2-O 3.29Å; F559-P572 WeakPolarHBondContact CE2-O 3.34Å; F559-P572 HydrophobicContact CZ-CB 4.01Å; I563-P572 HydrophobicContact CG2-CB 4.37Å; D570-P572 WeakPolarHBondContact O-CD 3.44Å; P572-F576 WeakPolarHBondContact O-CB 3.36Å; P572-F576 PolarHBondContact O-N 2.8Å; P572-F593 HydrophobicContact CB-CE2 4.39Å; P572-F593 HydrophobicContact CB-CZ 3.84Å; P572-F593 HydrophobicContact CG-CZ 4.08Å; P572-F593 WeakPolarHBondContact O-CE2 3.32Å
573	L	95.9	Very high	93.4	Very high	59 Å²	59	54.4 Å²	54.4	31%	0.309	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-45.9	172.7	-174	159.3	0	0	0	111.2	D571 F576 T577 F593	D571-L573 PolarHBondContact O-N 3.2Å; D571-L573 WeakPolarHBondContact OD1-CB 3.27Å; D571-L573 PolarHBondContact OD1-N 3.44Å; L573-F576 PolarHBondContact O-N 3.19Å; L573-T577 WeakPolarHBondContact O-CB 3.46Å; L573-T577 PolarHBondContact O-N 2.68Å; L573-T577 PolarHBondContact O-OG1 2.77Å; L573-F593 HydrophobicContact CB-CD2 3.9Å; L573-F593 HydrophobicContact CB-CE2 4.25Å; L573-F593 HydrophobicContact CB-CG 4.32Å; L573-F593 HydrophobicContact CD1-CB 4.09Å; L573-F593 HydrophobicContact CD1-CG 4.48Å; L573-F593 HydrophobicContact CG-CB 4.37Å; L573-F593 HydrophobicContact CG-CD2 4.11Å; L573-F593 HydrophobicContact CG-CG 4.41Å
574	I	95.9	Very high	93.3	Very high	97 Å²	97	55 Å²	55	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-65	-44.7	177.8	-63.9	175	0	0	0	109.7	D571 F576 T577 N578	D571-I574 HydrophobicContact CB-CB 4.23Å; D571-I574 HydrophobicContact CB-CD1 3.85Å; D571-I574 HydrophobicContact CB-CG1 3.94Å; D571-I574 PolarHBondContact O-N 3.27Å; I574-F576 PolarHBondContact O-N 3.44Å; I574-T577 PolarHBondContact O-N 2.91Å; I574-N578 PolarHBondContact O-N 3.39Å; I574-N578 PolarHBondContact O-ND2 3.46Å
575	T	96.9	Very high	93.2	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.043	30%	0.301	C	S	.	.	H	α-helix	trans	-57.2	-49.5	177	-58.9	0	0	0	0	111.3	F559 A562 I563 N567 D571 T577 N578 L579	F559-T575 HydrophobicContact CD2-CG2 4.1Å; F559-T575 HydrophobicContact CE2-CG2 4.23Å; A562-T575 HydrophobicContact CB-CG2 3.88Å; I563-T575 HydrophobicContact CG2-CG2 4.49Å; N567-T575 HydrophobicContact CB-CG2 4.23Å; D571-T575 PolarHBondContact O-N 3.11Å; D571-T575 PolarHBondContact O-OG1 3.44Å; T575-T577 PolarHBondContact O-N 2.81Å; T575-N578 PolarHBondContact O-N 2.93Å; T575-L579 HydrophobicContact CG2-CD1 4.05Å; T575-L579 WeakPolarHBondContact O-CB 3.46Å; T575-L579 WeakPolarHBondContact O-CG 3.32Å; T575-L579 PolarHBondContact O-N 3.46Å
576	F	97.3	Very high	93.3	Very high	11 Å²	11	57.1 Å²	57.1	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-41.2	178	-175.1	-104.9	0	0	0	112.5	L555 L556 F559 P572 L573 I574 L579 S580 P588 F593 W594 P595	L555-F576 HydrophobicContact CD1-CD2 4.41Å; L555-F576 HydrophobicContact CD1-CE2 4.2Å; L555-F576 HydrophobicContact CD2-CE2 4.09Å; L555-F576 HydrophobicContact CD2-CZ 4.11Å; L555-F576 HydrophobicContact CG-CE2 4.09Å; L556-F576 HydrophobicContact CD2-CE2 4.26Å; F559-F576 HydrophobicContact CB-CD2 4.2Å; F559-F576 HydrophobicContact CD1-CD2 4.24Å; F559-F576 HydrophobicContact CD2-CB 3.77Å; F559-F576 AromaticContact CD2-CD2 3.91Å; F559-F576 HydrophobicContact CD2-CD2 3.91Å; F559-F576 HydrophobicContact CD2-CG 4.36Å; F559-F576 HydrophobicContact CE2-CB 3.68Å; F559-F576 HydrophobicContact CE2-CD2 4.4Å; F559-F576 AromaticContact CG-CD2 3.82Å; F559-F576 HydrophobicContact CG-CD2 3.82Å; F559-F576 HydrophobicContact CZ-CB 4.36Å; P572-F576 WeakPolarHBondContact O-CB 3.36Å; P572-F576 PolarHBondContact O-N 2.8Å; L573-F576 PolarHBondContact O-N 3.19Å; I574-F576 PolarHBondContact O-N 3.44Å; F576-L579 PolarHBondContact O-N 3.45Å; F576-S580 VanDerWaalsContact O-CB 3.3Å; F576-S580 WeakPolarHBondContact O-CB 3.31Å; F576-S580 PolarHBondContact O-N 3.48Å; F576-P588 HydrophobicContact CD1-CG 4.13Å; F576-P588 HydrophobicContact CE1-CG 4.1Å; F576-F593 HydrophobicContact CB-CE2 4.05Å; F576-W594 HydrophobicContact CZ-CE3 4.33Å; F576-P595 HydrophobicContact CB-CG 4.14Å; F576-P595 HydrophobicContact CD1-CG 3.99Å; F576-P595 HydrophobicContact CD2-CG 3.41Å; F576-P595 VanDerWaalsContact CD2-CG 3.41Å; F576-P595 HydrophobicContact CE1-CG 4.24Å; F576-P595 HydrophobicContact CE2-CG 3.7Å; F576-P595 HydrophobicContact CG-CG 3.56Å; F576-P595 HydrophobicContact CZ-CG 4.1Å
577	T	96.8	Very high	93.8	Very high	41 Å²	41	57.5 Å²	57.5	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-60.1	-48.5	178.2	-62.9	0	0	0	0	111.4	L573 I574 T575 S580 K581	L573-T577 WeakPolarHBondContact O-CB 3.46Å; L573-T577 PolarHBondContact O-N 2.68Å; L573-T577 PolarHBondContact O-OG1 2.77Å; I574-T577 PolarHBondContact O-N 2.91Å; T575-T577 PolarHBondContact O-N 2.81Å; T577-S580 PolarHBondContact O-N 3.19Å; T577-K581 PolarHBondContact O-N 3.2Å; T577-K581 VanDerWaalsContact O-N 3.07Å
578	N	96.4	Very high	94.3	Very high	99 Å²	99	56.7 Å²	56.7	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-44.1	178.6	-72.2	-23.8	0	0	0	111.9	I574 T575 K581 K582	I574-N578 PolarHBondContact O-N 3.39Å; I574-N578 PolarHBondContact O-ND2 3.46Å; T575-N578 PolarHBondContact O-N 2.93Å; N578-K581 PolarHBondContact O-N 2.87Å; N578-K582 WeakPolarHBondContact O-CB 3.34Å; N578-K582 PolarHBondContact O-N 2.83Å
579	L	96.1	Very high	95.2	Very high	27 Å²	27	54 Å²	54	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-38.7	177.4	-71.7	171.6	0	0	0	112	L555 F559 A562 T575 F576 K581 K582 C583	L555-L579 HydrophobicContact CD1-CB 3.5Å; L555-L579 VanDerWaalsContact CD1-CB 3.5Å; F559-L579 VanDerWaalsContact CA-CD1 3.47Å; F559-L579 HydrophobicContact CB-CD1 3.92Å; F559-L579 HydrophobicContact CD2-CD1 4.26Å; A562-L579 HydrophobicContact CB-CD1 4.17Å; T575-L579 HydrophobicContact CG2-CD1 4.05Å; T575-L579 WeakPolarHBondContact O-CB 3.46Å; T575-L579 WeakPolarHBondContact O-CG 3.32Å; T575-L579 PolarHBondContact O-N 3.46Å; F576-L579 PolarHBondContact O-N 3.45Å; L579-K581 VanDerWaalsContact C-N 3.32Å; L579-K581 PolarHBondContact O-N 2.89Å; L579-K582 PolarHBondContact O-N 3.44Å; L579-C583 WeakPolarHBondContact O-CB 3.38Å; L579-C583 PolarHBondContact O-N 3.03Å; L579-C583 PolarHBondContact O-SG 3.08Å
580	S	97.1	Very high	95.6	Very high	8 Å²	8	51.9 Å²	51.9	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-44.5	177.2	-174.9	0	0	0	0	110.9	L555 F576 T577 K582 L584 G585 I586	L555-S580 VanDerWaalsContact CD1-N 3.33Å; F576-S580 VanDerWaalsContact O-CB 3.3Å; F576-S580 WeakPolarHBondContact O-CB 3.31Å; F576-S580 PolarHBondContact O-N 3.48Å; T577-S580 PolarHBondContact O-N 3.19Å; S580-K582 PolarHBondContact O-N 3.29Å; S580-L584 WeakPolarHBondContact O-CB 3.5Å; S580-L584 PolarHBondContact O-N 3.29Å; S580-G585 PolarHBondContact O-N 3.35Å; S580-I586 CarbonylContact C-O 3.5Å; S580-I586 WeakPolarHBondContact CB-O 3.46Å; S580-I586 PolarHBondContact OG-O 3.18Å
581	K	95.4	Very high	95.7	Very high	115 Å²	115	55.4 Å²	55.4	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-45.2	173.6	-173.9	172.8	-174.1	154.4	0	112	T577 N578 L579 G585 E587	T577-K581 PolarHBondContact O-N 3.2Å; T577-K581 VanDerWaalsContact O-N 3.07Å; N578-K581 PolarHBondContact O-N 2.87Å; L579-K581 VanDerWaalsContact C-N 3.32Å; L579-K581 PolarHBondContact O-N 2.89Å; K581-G585 WeakPolarHBondContact O-CA 3.29Å; K581-G585 PolarHBondContact O-N 2.85Å; K581-E587 HydrophobicContact CB-CG 4.43Å; K581-E587 HydrophobicContact CD-CG 4.28Å; K581-E587 WeakPolarHBondContact CD-OE1 3.1Å; K581-E587 VanDerWaalsContact CE-OE1 3.32Å; K581-E587 WeakPolarHBondContact CE-OE1 3.46Å; K581-E587 HydrophobicContact CG-CG 4.41Å; K581-E587 IonicContact NZ-OE1 2.87Å; K581-E587 PolarHBondContact NZ-OE1 3.29Å
582	K	94.5	Very high	95.8	Very high	149 Å²	149	53.1 Å²	53.1	65%	0.648	29%	0.289	S	S	*	.	H	α-helix	trans	-64.4	-50.8	179.4	-179	-176.5	174.2	-172.9	0	112.5	N578 L579 S580	N578-K582 WeakPolarHBondContact O-CB 3.34Å; N578-K582 PolarHBondContact O-N 2.83Å; L579-K582 PolarHBondContact O-N 3.44Å; S580-K582 PolarHBondContact O-N 3.29Å
583	C	95.3	Very high	95.9	Very high	16 Å²	16	53.1 Å²	53.1	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-80.8	-34.1	-170.8	-66.2	0	0	0	0	112.8	R288 L555 L579	R288-C583 WeakPolarHBondContact CD-O 3.34Å; L555-C583 HydrophobicContact CB-CB 3.87Å; L579-C583 WeakPolarHBondContact O-CB 3.38Å; L579-C583 PolarHBondContact O-N 3.03Å; L579-C583 PolarHBondContact O-SG 3.08Å
584	L	94.8	Very high	95.9	Very high	16 Å²	16	52.1 Å²	52.1	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-113.1	-26.5	-174.2	-58	178.1	0	0	0	113.6	R288 R552 L555 S580 I586	R288-L584 PolarHBondContact NH1-O 3.37Å; R552-L584 HydrophobicContact CB-CD2 4.09Å; L555-L584 HydrophobicContact CD2-CD1 3.62Å; L555-L584 HydrophobicContact CD2-CG 4.21Å; S580-L584 WeakPolarHBondContact O-CB 3.5Å; S580-L584 PolarHBondContact O-N 3.29Å; L584-I586 HydrophobicContact CB-CB 4.15Å; L584-I586 HydrophobicContact CB-CD1 4.47Å; L584-I586 HydrophobicContact CB-CG1 4.2Å
585	G	94.4	Very high	96	Very high	51 Å²	51	47.5 Å²	47.5	53%	0.526	26%	0.257	S	S	.	.	S	Bend	trans	72.3	20	-164.9	0	0	0	0	0	112.8	S580 K581	S580-G585 PolarHBondContact O-N 3.35Å; K581-G585 WeakPolarHBondContact O-CA 3.29Å; K581-G585 PolarHBondContact O-N 2.85Å
586	I	95.2	Very high	96.1	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.051	26%	0.255	C	S	.	.			trans	-122	123.4	-179.3	-58.4	177.6	0	0	0	108	L314 P316 S580 L584	L314-I586 HydrophobicContact CB-CD1 4.26Å; L314-I586 HydrophobicContact CB-CG1 4.16Å; P316-I586 HydrophobicContact CG-CG2 3.95Å; S580-I586 CarbonylContact C-O 3.5Å; S580-I586 WeakPolarHBondContact CB-O 3.46Å; S580-I586 PolarHBondContact OG-O 3.18Å; L584-I586 HydrophobicContact CB-CB 4.15Å; L584-I586 HydrophobicContact CB-CD1 4.47Å; L584-I586 HydrophobicContact CB-CG1 4.2Å
587	E	94.3	Very high	96	Very high	106 Å²	106	46.8 Å²	46.8	50%	0.495	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-84.1	134.4	174	-66.9	-176	-176.6	0	0	109.6	P316 K581	P316-E587 WeakPolarHBondContact CD-O 3.39Å; P316-E587 WeakPolarHBondContact CG-O 3.24Å; K581-E587 HydrophobicContact CB-CG 4.43Å; K581-E587 HydrophobicContact CD-CG 4.28Å; K581-E587 WeakPolarHBondContact CD-OE1 3.1Å; K581-E587 VanDerWaalsContact CE-OE1 3.32Å; K581-E587 WeakPolarHBondContact CE-OE1 3.46Å; K581-E587 HydrophobicContact CG-CG 4.41Å; K581-E587 IonicContact NZ-OE1 2.87Å; K581-E587 PolarHBondContact NZ-OE1 3.29Å
588	P	96	Very high	96	Very high	25 Å²	25	45.2 Å²	45.2	16%	0.162	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-57.3	158.8	171.9	-24.9	35.5	0	0	0	112.6	F576	F576-P588 HydrophobicContact CD1-CG 4.13Å; F576-P588 HydrophobicContact CE1-CG 4.1Å
589	I	97.1	Very high	96	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.072	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64.8	135.4	174.4	-49.1	-178	0	0	0	108.1	E223 T224 P316 W317 T592	E223-I589 HydrophobicContact CB-CD1 4.16Å; E223-I589 HydrophobicContact CG-CD1 3.83Å; T224-I589 HydrophobicContact CG2-CG2 4.46Å; T224-I589 WeakPolarHBondContact OG1-CD1 3.41Å; P316-I589 HydrophobicContact CB-CD1 4.49Å; P316-I589 HydrophobicContact CB-CG1 4.1Å; P316-I589 HydrophobicContact CG-CG1 3.85Å; W317-I589 HydrophobicContact CE3-CD1 3.65Å; W317-I589 HydrophobicContact CE3-CG1 3.91Å; W317-I589 HydrophobicContact CZ3-CD1 4Å; W317-I589 HydrophobicContact CZ3-CG1 3.86Å; I589-T592 HydrophobicContact CB-CG2 3.71Å; I589-T592 HydrophobicContact CG2-CG2 4Å; I589-T592 WeakPolarHBondContact O-CB 3.35Å; I589-T592 PolarHBondContact O-N 2.97Å; I589-T592 VanDerWaalsContact O-N 3.16Å; I589-T592 PolarHBondContact O-OG1 3Å
590	P	94.5	Very high	95.9	Very high	105 Å²	105	41.1 Å²	41.1	68%	0.682	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	142.8	175.3	-28.1	35.2	0	0	0	112.2	T592	P590-T592 PolarHBondContact O-N 3.41Å; P590-T592 VanDerWaalsContact O-N 3.11Å
591	D	93.1	Very high	95.9	Very high	153 Å²	153	40.8 Å²	40.8	82%	0.818	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	16.4	180	-49.7	-47.3	0	0	0	115.4
592	T	97.9	Very high	95.9	Very high	6 Å²	6	35.8 Å²	35.8	4%	0.037	20%	0.197	C	C	.	.			trans	-107.7	152.7	171.2	73	0	0	0	0	111.6	T224 N227 I589 P590	T224-T592 HydrophobicContact CG2-CG2 3.98Å; N227-T592 HydrophobicContact CB-CG2 4.32Å; I589-T592 HydrophobicContact CB-CG2 3.71Å; I589-T592 HydrophobicContact CG2-CG2 4Å; I589-T592 WeakPolarHBondContact O-CB 3.35Å; I589-T592 PolarHBondContact O-N 2.97Å; I589-T592 VanDerWaalsContact O-N 3.16Å; I589-T592 PolarHBondContact O-OG1 3Å; P590-T592 PolarHBondContact O-N 3.41Å; P590-T592 VanDerWaalsContact O-N 3.11Å
593	F	98.1	Very high	95.5	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	18%	0.184	C	C	.	.			trans	-153.5	79	-177.6	-177.4	-125.3	0	0	0	109.5	N227 I231 T235 L238 F559 P572 L573 F576 P595 A596	N227-F593 CarbonylContact O-C 3.59Å; N227-F593 VanDerWaalsContact O-C 3.3Å; N227-F593 PolarHBondContact O-N 3.36Å; I231-F593 HydrophobicContact CD1-CB 3.89Å; I231-F593 VanDerWaalsContact CD1-N 3.32Å; I231-F593 HydrophobicContact CG1-CB 4.09Å; T235-F593 HydrophobicContact CG2-CD1 4.2Å; T235-F593 HydrophobicContact CG2-CE1 4.17Å; L238-F593 HydrophobicContact CD2-CE1 4.02Å; L238-F593 HydrophobicContact CD2-CZ 3.85Å; F559-F593 HydrophobicContact CZ-CE2 4.25Å; F559-F593 HydrophobicContact CZ-CZ 4.15Å; P572-F593 HydrophobicContact CB-CE2 4.39Å; P572-F593 HydrophobicContact CB-CZ 3.84Å; P572-F593 HydrophobicContact CG-CZ 4.08Å; P572-F593 WeakPolarHBondContact O-CE2 3.32Å; L573-F593 HydrophobicContact CB-CD2 3.9Å; L573-F593 HydrophobicContact CB-CE2 4.25Å; L573-F593 HydrophobicContact CB-CG 4.32Å; L573-F593 HydrophobicContact CD1-CB 4.09Å; L573-F593 HydrophobicContact CD1-CG 4.48Å; L573-F593 HydrophobicContact CG-CB 4.37Å; L573-F593 HydrophobicContact CG-CD2 4.11Å; L573-F593 HydrophobicContact CG-CG 4.41Å; F576-F593 HydrophobicContact CB-CE2 4.05Å; F593-P595 VanDerWaalsContact C-N 3.26Å; F593-P595 HydrophobicContact CD2-CB 4.37Å; F593-P595 HydrophobicContact CD2-CG 3.98Å; F593-P595 HydrophobicContact CE1-CB 4.17Å; F593-P595 HydrophobicContact CE2-CB 3.69Å; F593-P595 HydrophobicContact CE2-CG 3.49Å; F593-P595 VanDerWaalsContact CE2-CG 3.49Å; F593-P595 HydrophobicContact CZ-CB 3.57Å; F593-P595 HydrophobicContact CZ-CG 3.95Å; F593-P595 VanDerWaalsContact O-N 3.16Å; F593-A596 HydrophobicContact CD1-CB 3.8Å; F593-A596 HydrophobicContact CE1-CB 4.26Å; F593-A596 VanDerWaalsContact O-CB 3.32Å; F593-A596 WeakPolarHBondContact O-CB 3.32Å; F593-A596 PolarHBondContact O-N 2.91Å
594	W	97	Very high	95.1	Very high	38 Å²	38	32 Å²	32	14%	0.144	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-49.8	-37.1	179.2	179.1	84.4	0	0	0	114.6	F226 N227 L556 F576 A596 S597 F598	F226-W594 AromaticContact CE1-NE1 3.87Å; N227-W594 HydrophobicContact CB-CB 4.35Å; N227-W594 PolarHBondContact O-N 3.23Å; N227-W594 WeakPolarHBondContact OD1-CB 3.29Å; L556-W594 HydrophobicContact CD1-CH2 3.75Å; L556-W594 HydrophobicContact CD1-CZ3 4.09Å; L556-W594 HydrophobicContact CD2-CE3 4.04Å; L556-W594 HydrophobicContact CD2-CH2 3.84Å; L556-W594 HydrophobicContact CD2-CZ3 3.28Å; L556-W594 HydrophobicContact CG-CH2 4.44Å; L556-W594 HydrophobicContact CG-CZ3 4.3Å; F576-W594 HydrophobicContact CZ-CE3 4.33Å; W594-A596 PolarHBondContact O-N 3.41Å; W594-A596 VanDerWaalsContact O-N 3.11Å; W594-S597 PolarHBondContact O-N 2.62Å; W594-F598 HydrophobicContact CE3-CB 4.19Å; W594-F598 HydrophobicContact CH2-CB 3.84Å; W594-F598 HydrophobicContact CH2-CD1 4.2Å; W594-F598 AromaticContact CH2-CD2 3.44Å; W594-F598 HydrophobicContact CH2-CD2 3.44Å; W594-F598 VanDerWaalsContact CH2-CD2 3.44Å; W594-F598 AromaticContact CH2-CE2 3.95Å; W594-F598 HydrophobicContact CH2-CE2 3.95Å; W594-F598 AromaticContact CH2-CG 3.57Å; W594-F598 HydrophobicContact CH2-CG 3.57Å; W594-F598 HydrophobicContact CZ2-CD2 4.37Å; W594-F598 HydrophobicContact CZ3-CB 3.58Å; W594-F598 AromaticContact CZ3-CD1 3.78Å; W594-F598 HydrophobicContact CZ3-CD1 3.78Å; W594-F598 AromaticContact CZ3-CD2 3.88Å; W594-F598 HydrophobicContact CZ3-CD2 3.88Å; W594-F598 HydrophobicContact CZ3-CE1 4.42Å; W594-F598 HydrophobicContact CZ3-CE2 4.46Å; W594-F598 AromaticContact CZ3-CG 3.48Å; W594-F598 HydrophobicContact CZ3-CG 3.48Å; W594-F598 VanDerWaalsContact CZ3-CG 3.48Å
595	P	98	Very high	95	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60	-18.5	177.3	-24.3	33.2	0	0	0	115.6	F559 F576 F593 S597 F598 L601	F559-P595 HydrophobicContact CD1-CB 4.28Å; F559-P595 HydrophobicContact CD1-CG 4.24Å; F559-P595 HydrophobicContact CE1-CB 3.51Å; F559-P595 HydrophobicContact CE1-CG 3.79Å; F559-P595 HydrophobicContact CZ-CB 3.93Å; F559-P595 HydrophobicContact CZ-CG 4.05Å; F576-P595 HydrophobicContact CB-CG 4.14Å; F576-P595 HydrophobicContact CD1-CG 3.99Å; F576-P595 HydrophobicContact CD2-CG 3.41Å; F576-P595 VanDerWaalsContact CD2-CG 3.41Å; F576-P595 HydrophobicContact CE1-CG 4.24Å; F576-P595 HydrophobicContact CE2-CG 3.7Å; F576-P595 HydrophobicContact CG-CG 3.56Å; F576-P595 HydrophobicContact CZ-CG 4.1Å; F593-P595 VanDerWaalsContact C-N 3.26Å; F593-P595 HydrophobicContact CD2-CB 4.37Å; F593-P595 HydrophobicContact CD2-CG 3.98Å; F593-P595 HydrophobicContact CE1-CB 4.17Å; F593-P595 HydrophobicContact CE2-CB 3.69Å; F593-P595 HydrophobicContact CE2-CG 3.49Å; F593-P595 VanDerWaalsContact CE2-CG 3.49Å; F593-P595 HydrophobicContact CZ-CB 3.57Å; F593-P595 HydrophobicContact CZ-CG 3.95Å; F593-P595 VanDerWaalsContact O-N 3.16Å; P595-S597 PolarHBondContact O-N 2.81Å; P595-S597 VanDerWaalsContact O-N 3.1Å; P595-F598 PolarHBondContact O-N 3.12Å; P595-L601 HydrophobicContact CB-CD1 4.18Å
596	A	98.1	Very high	95	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-60.8	-15.9	168.4	0	0	0	0	0	113.1	F160 I231 N234 F593 W594	F160-A596 VanDerWaalsContact CZ-O 3.24Å; F160-A596 WeakPolarHBondContact CZ-O 3.38Å; I231-A596 HydrophobicContact CG1-CB 4.11Å; N234-A596 HydrophobicContact CB-CB 4.12Å; N234-A596 WeakPolarHBondContact CB-O 3.34Å; N234-A596 PolarHBondContact ND2-O 3.5Å; F593-A596 HydrophobicContact CD1-CB 3.8Å; F593-A596 HydrophobicContact CE1-CB 4.26Å; F593-A596 VanDerWaalsContact O-CB 3.32Å; F593-A596 WeakPolarHBondContact O-CB 3.32Å; F593-A596 PolarHBondContact O-N 2.91Å; W594-A596 PolarHBondContact O-N 3.41Å; W594-A596 VanDerWaalsContact O-N 3.11Å
597	S	96.7	Very high	94.9	Very high	2 Å²	2	30 Å²	30	1%	0.014	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-113.1	13.3	174.5	-67.1	0	0	0	0	113.8	R229 W594 P595 L599	R229-S597 WeakPolarHBondContact CB-OG 3.38Å; R229-S597 PolarHBondContact O-OG 3.24Å; W594-S597 PolarHBondContact O-N 2.62Å; P595-S597 PolarHBondContact O-N 2.81Å; P595-S597 VanDerWaalsContact O-N 3.1Å; S597-L599 PolarHBondContact O-N 3.39Å
598	F	97	Very high	94.9	Very high	9 Å²	9	26 Å²	26	4%	0.039	15%	0.15	C	C	.	.			trans	-95.2	87.9	-178.4	-174.5	-150	0	0	0	111	L556 W594 P595 H600 L601 F609	L556-F598 HydrophobicContact CB-CE1 4.25Å; L556-F598 HydrophobicContact CB-CZ 4.21Å; L556-F598 HydrophobicContact CD1-CE1 4.34Å; L556-F598 HydrophobicContact CD1-CE2 4.06Å; L556-F598 HydrophobicContact CD1-CZ 3.81Å; L556-F598 HydrophobicContact CD2-CE1 4.45Å; L556-F598 HydrophobicContact CG-CZ 4.46Å; W594-F598 HydrophobicContact CE3-CB 4.19Å; W594-F598 HydrophobicContact CH2-CB 3.84Å; W594-F598 HydrophobicContact CH2-CD1 4.2Å; W594-F598 AromaticContact CH2-CD2 3.44Å; W594-F598 HydrophobicContact CH2-CD2 3.44Å; W594-F598 VanDerWaalsContact CH2-CD2 3.44Å; W594-F598 AromaticContact CH2-CE2 3.95Å; W594-F598 HydrophobicContact CH2-CE2 3.95Å; W594-F598 AromaticContact CH2-CG 3.57Å; W594-F598 HydrophobicContact CH2-CG 3.57Å; W594-F598 HydrophobicContact CZ2-CD2 4.37Å; W594-F598 HydrophobicContact CZ3-CB 3.58Å; W594-F598 AromaticContact CZ3-CD1 3.78Å; W594-F598 HydrophobicContact CZ3-CD1 3.78Å; W594-F598 AromaticContact CZ3-CD2 3.88Å; W594-F598 HydrophobicContact CZ3-CD2 3.88Å; W594-F598 HydrophobicContact CZ3-CE1 4.42Å; W594-F598 HydrophobicContact CZ3-CE2 4.46Å; W594-F598 AromaticContact CZ3-CG 3.48Å; W594-F598 HydrophobicContact CZ3-CG 3.48Å; W594-F598 VanDerWaalsContact CZ3-CG 3.48Å; P595-F598 PolarHBondContact O-N 3.12Å; F598-H600 HydrophobicContact CD2-CB 3.98Å; F598-H600 AromaticContact CD2-ND1 3.82Å; F598-H600 HydrophobicContact CE1-CB 4.34Å; F598-H600 HydrophobicContact CE2-CB 3.45Å; F598-H600 VanDerWaalsContact CE2-CB 3.45Å; F598-H600 AromaticContact CE2-CG 3.59Å; F598-H600 AromaticContact CE2-ND1 3.39Å; F598-H600 WeakPolarHBondContact CE2-ND1 3.25Å; F598-H600 HydrophobicContact CZ-CB 3.66Å; F598-H600 PolarHBondContact O-N 2.83Å; F598-H600 VanDerWaalsContact O-N 3.13Å; F598-L601 HydrophobicContact CB-CD1 4.2Å; F598-L601 HydrophobicContact CB-CG 4.31Å; F598-L601 HydrophobicContact CD1-CD1 3.83Å; F598-L601 HydrophobicContact CD1-CD2 3.68Å; F598-L601 HydrophobicContact CD1-CG 3.47Å; F598-L601 VanDerWaalsContact CD1-CG 3.47Å; F598-L601 HydrophobicContact CE1-CD2 3.79Å; F598-L601 HydrophobicContact CE1-CG 4.07Å; F598-L601 HydrophobicContact CG-CD1 4.42Å; F598-L601 HydrophobicContact CG-CG 4.11Å; F598-L601 WeakPolarHBondContact O-CG 3.46Å; F598-L601 PolarHBondContact O-N 3.05Å; F598-L601 VanDerWaalsContact O-N 3.11Å; F598-F609 HydrophobicContact CE1-CD2 4.42Å; F598-F609 HydrophobicContact CE1-CG 4.39Å; F598-F609 HydrophobicContact CE2-CD2 4.06Å; F598-F609 AromaticContact CE2-CE2 3.65Å; F598-F609 HydrophobicContact CE2-CE2 3.65Å; F598-F609 HydrophobicContact CE2-CZ 4.03Å; F598-F609 AromaticContact CZ-CD1 3.99Å; F598-F609 HydrophobicContact CZ-CD1 3.99Å; F598-F609 AromaticContact CZ-CD2 3.44Å; F598-F609 HydrophobicContact CZ-CD2 3.44Å; F598-F609 VanDerWaalsContact CZ-CD2 3.44Å; F598-F609 AromaticContact CZ-CE1 3.98Å; F598-F609 HydrophobicContact CZ-CE1 3.98Å; F598-F609 AromaticContact CZ-CE2 3.39Å; F598-F609 HydrophobicContact CZ-CE2 3.39Å; F598-F609 AromaticContact CZ-CG 3.73Å; F598-F609 HydrophobicContact CZ-CG 3.73Å; F598-F609 AromaticContact CZ-CZ 3.67Å; F598-F609 HydrophobicContact CZ-CZ 3.67Å
599	L	95.1	Very high	94.9	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-56.1	-30.8	-174.6	-175.1	64.2	0	0	0	113.8	F160 Q161 L164 Y404 S597 L601 T602 C603	F160-L599 HydrophobicContact CD1-CD1 4.25Å; Q161-L599 HydrophobicContact CB-CD1 3.77Å; Q161-L599 HydrophobicContact CG-CD1 3.85Å; Q161-L599 HydrophobicContact CG-CD2 4.41Å; L164-L599 HydrophobicContact CD1-CB 4.06Å; L164-L599 HydrophobicContact CD1-CD1 4.18Å; Y404-L599 HydrophobicContact CE2-CD2 3.66Å; S597-L599 PolarHBondContact O-N 3.39Å; L599-L601 PolarHBondContact O-N 2.69Å; L599-T602 PolarHBondContact O-N 2.99Å; L599-T602 PolarHBondContact O-OG1 2.53Å; L599-C603 HydrophobicContact CD1-CB 4.35Å; L599-C603 HydrophobicContact CG-CB 3.97Å; L599-C603 PolarHBondContact O-N 3.33Å; L599-C603 PolarHBondContact O-SG 2.87Å
600	H	95.1	Very high	94.7	Very high	33 Å²	33	24.8 Å²	24.8	15%	0.153	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-57	-23.6	178.2	-66.2	76.1	0	0	0	114	F598 T602 C603 Y605 D606 F609 Y612	F598-H600 HydrophobicContact CD2-CB 3.98Å; F598-H600 AromaticContact CD2-ND1 3.82Å; F598-H600 HydrophobicContact CE1-CB 4.34Å; F598-H600 HydrophobicContact CE2-CB 3.45Å; F598-H600 VanDerWaalsContact CE2-CB 3.45Å; F598-H600 AromaticContact CE2-CG 3.59Å; F598-H600 AromaticContact CE2-ND1 3.39Å; F598-H600 WeakPolarHBondContact CE2-ND1 3.25Å; F598-H600 HydrophobicContact CZ-CB 3.66Å; F598-H600 PolarHBondContact O-N 2.83Å; F598-H600 VanDerWaalsContact O-N 3.13Å; H600-T602 PolarHBondContact O-N 3.37Å; H600-C603 VanDerWaalsContact CA-SG 3.55Å; H600-Y605 HydrophobicContact CB-CD2 4.44Å; H600-Y605 HydrophobicContact CB-CG 4.37Å; H600-Y605 AromaticContact CD2-CD2 3.37Å; H600-Y605 WeakPolarHBondContact CD2-CD2 3.13Å; H600-Y605 AromaticContact CD2-CE2 3.6Å; H600-Y605 AromaticContact CD2-CG 3.73Å; H600-Y605 CarbonylContact O-C 3.49Å; H600-Y605 WeakPolarHBondContact O-CB 3.47Å; H600-Y605 PolarHBondContact O-N 3.47Å; H600-D606 PolarHBondContact O-N 2.95Å; H600-F609 HydrophobicContact CB-CD2 3.7Å; H600-F609 HydrophobicContact CB-CE2 4.05Å; H600-F609 AromaticContact CD2-CD2 3.71Å; H600-F609 AromaticContact CD2-CE2 3.58Å; H600-F609 AromaticContact CG-CD2 3.77Å; H600-F609 AromaticContact CG-CE2 3.66Å; H600-Y612 AromaticContact CD2-CE2 3.64Å; H600-Y612 AromaticContact NE2-CE2 3.51Å; H600-Y612 AromaticContact NE2-CZ 3.6Å; H600-Y612 PolarHBondContact NE2-OH 3.15Å
601	L	96.6	Very high	94.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-69.3	-15.4	174.5	-55.7	176.8	0	0	0	112.9	L238 R245 F559 D560 I563 P595 F598 L599	L238-L601 HydrophobicContact CD1-CB 4.28Å; L238-L601 HydrophobicContact CD1-CD1 4.01Å; L238-L601 HydrophobicContact CD2-CD1 4.14Å; R245-L601 PolarHBondContact NH1-O 3.13Å; R245-L601 PolarHBondContact NH2-O 3.3Å; F559-L601 HydrophobicContact CD1-CD1 4.45Å; F559-L601 HydrophobicContact CE1-CD1 3.77Å; D560-L601 HydrophobicContact CB-CD2 3.99Å; I563-L601 HydrophobicContact CD1-CD1 4.25Å; I563-L601 HydrophobicContact CD1-CD2 4.12Å; P595-L601 HydrophobicContact CB-CD1 4.18Å; F598-L601 HydrophobicContact CB-CD1 4.2Å; F598-L601 HydrophobicContact CB-CG 4.31Å; F598-L601 HydrophobicContact CD1-CD1 3.83Å; F598-L601 HydrophobicContact CD1-CD2 3.68Å; F598-L601 HydrophobicContact CD1-CG 3.47Å; F598-L601 VanDerWaalsContact CD1-CG 3.47Å; F598-L601 HydrophobicContact CE1-CD2 3.79Å; F598-L601 HydrophobicContact CE1-CG 4.07Å; F598-L601 HydrophobicContact CG-CD1 4.42Å; F598-L601 HydrophobicContact CG-CG 4.11Å; F598-L601 WeakPolarHBondContact O-CG 3.46Å; F598-L601 PolarHBondContact O-N 3.05Å; F598-L601 VanDerWaalsContact O-N 3.11Å; L599-L601 PolarHBondContact O-N 2.69Å
602	T	95.2	Very high	94.8	Very high	11 Å²	11	14.7 Å²	14.7	7%	0.067	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-8.9	-173.8	71	0	0	0	0	114.3	C157 F160 L241 L599 H600	C157-T602 PolarHBondContact SG-O 3.24Å; C157-T602 VanDerWaalsContact SG-O 3.41Å; F160-T602 HydrophobicContact CB-CG2 4.12Å; F160-T602 HydrophobicContact CD1-CG2 3.98Å; F160-T602 HydrophobicContact CD2-CG2 3.77Å; F160-T602 HydrophobicContact CE1-CG2 4.32Å; F160-T602 HydrophobicContact CE2-CG2 4.09Å; F160-T602 HydrophobicContact CG-CG2 3.7Å; F160-T602 HydrophobicContact CZ-CG2 4.37Å; L241-T602 HydrophobicContact CD1-CG2 3.55Å; L599-T602 PolarHBondContact O-N 2.99Å; L599-T602 PolarHBondContact O-OG1 2.53Å; H600-T602 PolarHBondContact O-N 3.37Å
603	C	86.9	Confident	94.6	Very high	54 Å²	54	14.7 Å²	14.7	37%	0.365	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	35.6	-177.8	71.1	0	0	0	0	114.6	L599 H600	L599-C603 HydrophobicContact CD1-CB 4.35Å; L599-C603 HydrophobicContact CG-CB 3.97Å; L599-C603 PolarHBondContact O-N 3.33Å; L599-C603 PolarHBondContact O-SG 2.87Å; H600-C603 VanDerWaalsContact CA-SG 3.55Å
604	G	86	Confident	94.4	Very high	31 Å²	31	16 Å²	16	32%	0.32	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	0.6	174.7	0	0	0	0	0	115.2	D606 R608	G604-D606 WeakPolarHBondContact CA-OD1 3.5Å; G604-D606 PolarHBondContact N-OD1 3.49Å; G604-R608 PolarHBondContact O-NE 3.03Å; G604-R608 PolarHBondContact O-NH2 3.4Å
605	Y	93.2	Very high	94.3	Very high	28 Å²	28	14.1 Å²	14.1	11%	0.11	8%	0.076	C	C	.	.			trans	-94.1	-3.1	171.5	-81.6	-89.2	0	0	0	113.4	T499 E503 H600 G607 R608 F609 S611 Y612	T499-Y605 HydrophobicContact CG2-CD1 3.97Å; T499-Y605 HydrophobicContact CG2-CE1 3.98Å; E503-Y605 PolarHBondContact OE1-OH 3.2Å; H600-Y605 HydrophobicContact CB-CD2 4.44Å; H600-Y605 HydrophobicContact CB-CG 4.37Å; H600-Y605 AromaticContact CD2-CD2 3.37Å; H600-Y605 WeakPolarHBondContact CD2-CD2 3.13Å; H600-Y605 AromaticContact CD2-CE2 3.6Å; H600-Y605 AromaticContact CD2-CG 3.73Å; H600-Y605 CarbonylContact O-C 3.49Å; H600-Y605 WeakPolarHBondContact O-CB 3.47Å; H600-Y605 PolarHBondContact O-N 3.47Å; Y605-G607 PolarHBondContact O-N 3.04Å; Y605-G607 VanDerWaalsContact O-N 3.08Å; Y605-R608 CarbonylContact O-C 3.57Å; Y605-R608 WeakPolarHBondContact O-CA 3.47Å; Y605-R608 WeakPolarHBondContact O-CB 3.37Å; Y605-R608 PolarHBondContact O-N 3.37Å; Y605-F609 PolarHBondContact O-N 3.27Å; Y605-S611 WeakPolarHBondContact CE1-OG 3.5Å; Y605-Y612 HydrophobicContact CD1-CE2 4.22Å; Y605-Y612 HydrophobicContact CE1-CD2 4.05Å; Y605-Y612 AromaticContact CE1-CE2 3.58Å; Y605-Y612 HydrophobicContact CE1-CE2 3.58Å; Y605-Y612 HydrophobicContact CE2-CE2 4.37Å; Y605-Y612 AromaticContact CZ-CE2 3.66Å
606	D	93.1	Very high	94.2	Very high	8 Å²	8	15.5 Å²	15.5	4%	0.043	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	108	178.4	47.9	-67.4	0	0	0	113.2	H257 M261 H600 G604 R608	H257-D606 IonicContact CD2-OD2 3.79Å; H257-D606 IonicContact CE1-OD2 3.8Å; H257-D606 PolarHBondContact CE1-OD2 3.26Å; H257-D606 VanDerWaalsContact CE1-OD2 3.26Å; H257-D606 IonicContact NE2-OD2 3.79Å; H257-D606 PolarHBondContact NE2-OD2 3Å; M261-D606 VanDerWaalsContact CE-OD2 3.25Å; M261-D606 WeakPolarHBondContact CE-OD2 3.22Å; M261-D606 WeakPolarHBondContact CG-O 3.47Å; H600-D606 PolarHBondContact O-N 2.95Å; G604-D606 WeakPolarHBondContact CA-OD1 3.5Å; G604-D606 PolarHBondContact N-OD1 3.49Å; D606-R608 VanDerWaalsContact C-N 3.32Å
607	G	93.4	Very high	94	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	13.8	-175.6	0	0	0	0	0	114.7	D560 Q561 H564 Y605	D560-G607 VanDerWaalsContact CG-N 3.33Å; D560-G607 PolarHBondContact OD1-N 3.33Å; D560-G607 VanDerWaalsContact OD2-C 3.3Å; D560-G607 VanDerWaalsContact OD2-CA 3.25Å; D560-G607 WeakPolarHBondContact OD2-CA 3.42Å; D560-G607 PolarHBondContact OD2-N 2.89Å; D560-G607 VanDerWaalsContact OD2-N 3.12Å; Q561-G607 PolarHBondContact NE2-O 2.9Å; H564-G607 PolarHBondContact ND1-N 3.45Å; Y605-G607 PolarHBondContact O-N 3.04Å; Y605-G607 VanDerWaalsContact O-N 3.08Å
608	R	94.3	Very high	93.9	Very high	22 Å²	22	17.8 Å²	17.8	8%	0.083	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.7	9.2	-173.9	-58.7	-171.7	-68.6	-169.2	7.2	113.4	M261 T499 D560 G604 Y605 D606 Y610 S611	M261-R608 HydrophobicContact CB-CG 4.08Å; M261-R608 VanDerWaalsContact CE-CZ 3.42Å; M261-R608 VanDerWaalsContact CE-NH2 3.26Å; M261-R608 PolarHBondContact O-NH1 2.79Å; T499-R608 HydrophobicContact CG2-CB 4.03Å; T499-R608 VanDerWaalsContact OG1-CZ 3.23Å; T499-R608 PolarHBondContact OG1-NH1 3.01Å; D560-R608 PolarHBondContact OD2-N 3.35Å; G604-R608 PolarHBondContact O-NE 3.03Å; G604-R608 PolarHBondContact O-NH2 3.4Å; Y605-R608 CarbonylContact O-C 3.57Å; Y605-R608 WeakPolarHBondContact O-CA 3.47Å; Y605-R608 WeakPolarHBondContact O-CB 3.37Å; Y605-R608 PolarHBondContact O-N 3.37Å; D606-R608 VanDerWaalsContact C-N 3.32Å; R608-Y610 HydrophobicContact CB-CE1 4.39Å; R608-Y610 PolarHBondContact O-N 3.3Å; R608-Y610 VanDerWaalsContact O-N 3.15Å; R608-S611 WeakPolarHBondContact O-CB 3.41Å; R608-S611 PolarHBondContact O-N 3.19Å; R608-S611 VanDerWaalsContact O-N 3.08Å; R608-S611 PolarHBondContact O-OG 3.1Å
609	F	95.7	Very high	93.9	Very high	9 Å²	9	17.4 Å²	17.4	4%	0.039	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.7	179.5	-170.8	-97.8	0	0	0	113.6	L556 A557 D560 F598 H600 Y605 S611 Y612	L556-F609 HydrophobicContact CB-CD1 3.68Å; L556-F609 HydrophobicContact CB-CE1 3.43Å; L556-F609 VanDerWaalsContact CB-CE1 3.43Å; L556-F609 HydrophobicContact CB-CZ 4.32Å; L556-F609 HydrophobicContact CD1-CE1 3.73Å; L556-F609 HydrophobicContact CD1-CZ 3.82Å; L556-F609 HydrophobicContact CG-CE1 4.23Å; A557-F609 HydrophobicContact CB-CD1 4.28Å; D560-F609 HydrophobicContact CB-CB 4.01Å; D560-F609 WeakPolarHBondContact OD2-CB 3.48Å; D560-F609 PolarHBondContact OD2-N 3.48Å; F598-F609 HydrophobicContact CE1-CD2 4.42Å; F598-F609 HydrophobicContact CE1-CG 4.39Å; F598-F609 HydrophobicContact CE2-CD2 4.06Å; F598-F609 AromaticContact CE2-CE2 3.65Å; F598-F609 HydrophobicContact CE2-CE2 3.65Å; F598-F609 HydrophobicContact CE2-CZ 4.03Å; F598-F609 AromaticContact CZ-CD1 3.99Å; F598-F609 HydrophobicContact CZ-CD1 3.99Å; F598-F609 AromaticContact CZ-CD2 3.44Å; F598-F609 HydrophobicContact CZ-CD2 3.44Å; F598-F609 VanDerWaalsContact CZ-CD2 3.44Å; F598-F609 AromaticContact CZ-CE1 3.98Å; F598-F609 HydrophobicContact CZ-CE1 3.98Å; F598-F609 AromaticContact CZ-CE2 3.39Å; F598-F609 HydrophobicContact CZ-CE2 3.39Å; F598-F609 AromaticContact CZ-CG 3.73Å; F598-F609 HydrophobicContact CZ-CG 3.73Å; F598-F609 AromaticContact CZ-CZ 3.67Å; F598-F609 HydrophobicContact CZ-CZ 3.67Å; H600-F609 HydrophobicContact CB-CD2 3.7Å; H600-F609 HydrophobicContact CB-CE2 4.05Å; H600-F609 AromaticContact CD2-CD2 3.71Å; H600-F609 AromaticContact CD2-CE2 3.58Å; H600-F609 AromaticContact CG-CD2 3.77Å; H600-F609 AromaticContact CG-CE2 3.66Å; Y605-F609 PolarHBondContact O-N 3.27Å; F609-S611 PolarHBondContact O-N 3.48Å; F609-Y612 AromaticContact CD2-CD2 3.77Å; F609-Y612 HydrophobicContact CD2-CD2 3.77Å; F609-Y612 AromaticContact CD2-CE2 3.96Å; F609-Y612 HydrophobicContact CD2-CE2 3.96Å; F609-Y612 HydrophobicContact CE1-CD2 4.48Å; F609-Y612 AromaticContact CE2-CD2 3.44Å; F609-Y612 HydrophobicContact CE2-CD2 3.44Å; F609-Y612 VanDerWaalsContact CE2-CD2 3.44Å; F609-Y612 AromaticContact CE2-CE2 3.53Å; F609-Y612 HydrophobicContact CE2-CE2 3.53Å; F609-Y612 HydrophobicContact CE2-CG 4.36Å; F609-Y612 HydrophobicContact CG-CD2 4.45Å; F609-Y612 AromaticContact CZ-CD2 3.84Å; F609-Y612 HydrophobicContact CZ-CD2 3.84Å; F609-Y612 HydrophobicContact CZ-CE2 4.27Å; F609-Y612 HydrophobicContact CZ-CG 4.36Å; F609-Y612 PolarHBondContact O-N 3.26Å
610	Y	94.7	Very high	94	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.012	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-24.6	172.3	78.8	-88.8	0	0	0	113.3	L262 I273 D500 R608 Y612 L613 W614	L262-Y610 HydrophobicContact CD2-CE1 4.14Å; L262-Y610 WeakPolarHBondContact CD2-OH 3.41Å; I273-Y610 HydrophobicContact CB-CD1 4.47Å; I273-Y610 HydrophobicContact CD1-CD1 3.71Å; I273-Y610 HydrophobicContact CD1-CE1 3.21Å; I273-Y610 HydrophobicContact CD1-CE2 4.34Å; I273-Y610 HydrophobicContact CD1-CG 4.45Å; I273-Y610 HydrophobicContact CG1-CD1 3.95Å; I273-Y610 HydrophobicContact CG1-CD2 4.18Å; I273-Y610 HydrophobicContact CG1-CE1 3.67Å; I273-Y610 HydrophobicContact CG1-CE2 3.92Å; I273-Y610 HydrophobicContact CG1-CG 4.2Å; I273-Y610 HydrophobicContact CG2-CD1 3.67Å; I273-Y610 HydrophobicContact CG2-CD2 4.13Å; I273-Y610 HydrophobicContact CG2-CE1 4.29Å; I273-Y610 HydrophobicContact CG2-CG 3.58Å; D500-Y610 HydrophobicContact CB-CE2 4.27Å; R608-Y610 HydrophobicContact CB-CE1 4.39Å; R608-Y610 PolarHBondContact O-N 3.3Å; R608-Y610 VanDerWaalsContact O-N 3.15Å; Y610-Y612 PolarHBondContact O-N 3.12Å; Y610-L613 PolarHBondContact O-N 2.9Å; Y610-W614 HydrophobicContact CD2-CB 4.17Å; Y610-W614 HydrophobicContact CD2-CE3 4.14Å; Y610-W614 HydrophobicContact CE2-CB 4.33Å; Y610-W614 HydrophobicContact CE2-CD2 4.28Å; Y610-W614 AromaticContact CE2-CE3 4Å; Y610-W614 HydrophobicContact CE2-CE3 4Å; Y610-W614 HydrophobicContact CE2-CG 4.42Å; Y610-W614 PolarHBondContact O-N 3.37Å
611	S	93.5	Very high	94.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-49.4	-37.2	176.6	52	0	0	0	0	113.4	T499 Y605 R608 F609 L613 W614 S615	T499-S611 WeakPolarHBondContact O-CB 3.44Å; Y605-S611 WeakPolarHBondContact CE1-OG 3.5Å; R608-S611 WeakPolarHBondContact O-CB 3.41Å; R608-S611 PolarHBondContact O-N 3.19Å; R608-S611 VanDerWaalsContact O-N 3.08Å; R608-S611 PolarHBondContact O-OG 3.1Å; F609-S611 PolarHBondContact O-N 3.48Å; S611-L613 VanDerWaalsContact C-N 3.34Å; S611-L613 PolarHBondContact O-N 2.79Å; S611-W614 PolarHBondContact O-N 2.88Å; S611-S615 WeakPolarHBondContact O-CB 3.42Å; S611-S615 PolarHBondContact O-N 3.24Å; S611-S615 PolarHBondContact O-OG 3.1Å
612	Y	95.2	Very high	94.1	Very high	47 Å²	47	16.1 Å²	16.1	18%	0.184	8%	0.083	C	C	.	.	H	α-helix	trans	-57.3	-45.4	176.8	-87.5	-85.9	0	0	0	112.4	E503 Q507 H600 Y605 F609 Y610 R616	E503-Y612 HydrophobicContact CG-CD1 4.07Å; E503-Y612 HydrophobicContact CG-CE1 3.92Å; E503-Y612 HydrophobicContact CG-CE2 4.39Å; E503-Y612 HydrophobicContact CG-CG 4.35Å; E503-Y612 PolarHBondContact OE1-OH 3.36Å; E503-Y612 WeakPolarHBondContact OE2-CE1 3.39Å; Q507-Y612 PolarHBondContact NE2-O 2.61Å; Q507-Y612 PolarHBondContact OE1-O 2.75Å; H600-Y612 AromaticContact CD2-CE2 3.64Å; H600-Y612 AromaticContact NE2-CE2 3.51Å; H600-Y612 AromaticContact NE2-CZ 3.6Å; H600-Y612 PolarHBondContact NE2-OH 3.15Å; Y605-Y612 HydrophobicContact CD1-CE2 4.22Å; Y605-Y612 HydrophobicContact CE1-CD2 4.05Å; Y605-Y612 AromaticContact CE1-CE2 3.58Å; Y605-Y612 HydrophobicContact CE1-CE2 3.58Å; Y605-Y612 HydrophobicContact CE2-CE2 4.37Å; Y605-Y612 AromaticContact CZ-CE2 3.66Å; F609-Y612 AromaticContact CD2-CD2 3.77Å; F609-Y612 HydrophobicContact CD2-CD2 3.77Å; F609-Y612 AromaticContact CD2-CE2 3.96Å; F609-Y612 HydrophobicContact CD2-CE2 3.96Å; F609-Y612 HydrophobicContact CE1-CD2 4.48Å; F609-Y612 AromaticContact CE2-CD2 3.44Å; F609-Y612 HydrophobicContact CE2-CD2 3.44Å; F609-Y612 VanDerWaalsContact CE2-CD2 3.44Å; F609-Y612 AromaticContact CE2-CE2 3.53Å; F609-Y612 HydrophobicContact CE2-CE2 3.53Å; F609-Y612 HydrophobicContact CE2-CG 4.36Å; F609-Y612 HydrophobicContact CG-CD2 4.45Å; F609-Y612 AromaticContact CZ-CD2 3.84Å; F609-Y612 HydrophobicContact CZ-CD2 3.84Å; F609-Y612 HydrophobicContact CZ-CE2 4.27Å; F609-Y612 HydrophobicContact CZ-CG 4.36Å; F609-Y612 PolarHBondContact O-N 3.26Å; Y610-Y612 PolarHBondContact O-N 3.12Å; Y612-R616 WeakPolarHBondContact O-CB 3.47Å; Y612-R616 PolarHBondContact O-N 3.09Å
613	L	94.8	Very high	94.2	Very high	5 Å²	5	16 Å²	16	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-74.2	-39.4	178.3	-76.8	173.8	0	0	0	111.6	F276 L277 L280 Y550 Q553 I554 Y610 S611 R616 V617	F276-L613 HydrophobicContact CE1-CB 4.08Å; F276-L613 HydrophobicContact CZ-CB 4.22Å; L277-L613 HydrophobicContact CD2-CD1 4.15Å; L280-L613 HydrophobicContact CD2-CB 4.27Å; L280-L613 HydrophobicContact CD2-CD1 4.02Å; L280-L613 HydrophobicContact CD2-CD2 4.25Å; L280-L613 HydrophobicContact CD2-CG 4.43Å; Y550-L613 HydrophobicContact CD1-CD2 3.61Å; Y550-L613 HydrophobicContact CE1-CD2 4.32Å; Y550-L613 HydrophobicContact CG-CD2 4.46Å; Q553-L613 HydrophobicContact CB-CD1 3.73Å; Q553-L613 HydrophobicContact CB-CD2 3.7Å; Q553-L613 HydrophobicContact CB-CG 3.72Å; Q553-L613 HydrophobicContact CG-CD2 4.24Å; I554-L613 HydrophobicContact CG1-CD1 3.64Å; Y610-L613 PolarHBondContact O-N 2.9Å; S611-L613 VanDerWaalsContact C-N 3.34Å; S611-L613 PolarHBondContact O-N 2.79Å; L613-R616 WeakPolarHBondContact O-CB 3.37Å; L613-R616 PolarHBondContact O-N 3.4Å; L613-V617 WeakPolarHBondContact O-CG2 3.41Å; L613-V617 PolarHBondContact O-N 3.28Å
614	W	93.2	Very high	94.6	Very high	28 Å²	28	15.4 Å²	15.4	11%	0.106	7%	0.073	C	C	.	.	H	α-helix	trans	-59.1	-52.4	177.2	-167.7	-78.5	0	0	0	111.3	F276 Y610 S611 R616 V617 Y618	F276-W614 HydrophobicContact CB-CE3 4.35Å; F276-W614 HydrophobicContact CB-CZ3 3.89Å; F276-W614 AromaticContact CD1-CE3 3.8Å; F276-W614 HydrophobicContact CD1-CE3 3.8Å; F276-W614 HydrophobicContact CD1-CZ3 4.22Å; F276-W614 AromaticContact CD2-CE3 3.87Å; F276-W614 HydrophobicContact CD2-CE3 3.87Å; F276-W614 AromaticContact CD2-CZ3 3.85Å; F276-W614 HydrophobicContact CD2-CZ3 3.85Å; F276-W614 HydrophobicContact CE1-CB 4.44Å; F276-W614 HydrophobicContact CE1-CE3 4.01Å; F276-W614 HydrophobicContact CE2-CE3 4.07Å; F276-W614 HydrophobicContact CE2-CZ3 4.45Å; F276-W614 AromaticContact CG-CE3 3.73Å; F276-W614 HydrophobicContact CG-CE3 3.73Å; F276-W614 AromaticContact CG-CZ3 3.71Å; F276-W614 HydrophobicContact CG-CZ3 3.71Å; F276-W614 HydrophobicContact CZ-CB 4.41Å; F276-W614 HydrophobicContact CZ-CE3 4.14Å; Y610-W614 HydrophobicContact CD2-CB 4.17Å; Y610-W614 HydrophobicContact CD2-CE3 4.14Å; Y610-W614 HydrophobicContact CE2-CB 4.33Å; Y610-W614 HydrophobicContact CE2-CD2 4.28Å; Y610-W614 AromaticContact CE2-CE3 4Å; Y610-W614 HydrophobicContact CE2-CE3 4Å; Y610-W614 HydrophobicContact CE2-CG 4.42Å; Y610-W614 PolarHBondContact O-N 3.37Å; S611-W614 PolarHBondContact O-N 2.88Å; W614-R616 VanDerWaalsContact C-N 3.29Å; W614-R616 PolarHBondContact O-N 2.73Å; W614-V617 PolarHBondContact O-N 2.9Å; W614-Y618 AromaticContact CD1-CD2 3.97Å; W614-Y618 AromaticContact CD1-CE2 3.71Å; W614-Y618 AromaticContact CE2-CE2 3.96Å; W614-Y618 AromaticContact CE2-CZ 3.88Å; W614-Y618 HydrophobicContact CZ2-CE2 4.46Å; W614-Y618 VanDerWaalsContact CZ2-OH 3.3Å; W614-Y618 WeakPolarHBondContact CZ2-OH 3.32Å; W614-Y618 AromaticContact NE1-CD2 3.78Å; W614-Y618 AromaticContact NE1-CE2 3.04Å; W614-Y618 AromaticContact NE1-CZ 3.42Å; W614-Y618 PolarHBondContact O-N 2.95Å
615	S	95.3	Very high	95.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.3	-35.7	173.2	-79.3	0	0	0	0	112.5	D500 C504 S611 V617 Y618 S619	D500-S615 PolarHBondContact O-OG 3.49Å; C504-S615 VanDerWaalsContact N-CB 3.33Å; C504-S615 PolarHBondContact N-OG 3.1Å; C504-S615 VanDerWaalsContact N-OG 3.09Å; S611-S615 WeakPolarHBondContact O-CB 3.42Å; S611-S615 PolarHBondContact O-N 3.24Å; S611-S615 PolarHBondContact O-OG 3.1Å; S615-V617 VanDerWaalsContact C-N 3.34Å; S615-V617 PolarHBondContact O-N 3.49Å; S615-Y618 PolarHBondContact O-N 3.29Å; S615-S619 VanDerWaalsContact O-CB 3.25Å; S615-S619 WeakPolarHBondContact O-CB 3.35Å; S615-S619 PolarHBondContact O-N 3.5Å; S615-S619 PolarHBondContact O-OG 2.99Å
616	R	95.6	Very high	95.2	Very high	29 Å²	29	16.5 Å²	16.5	11%	0.109	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-43.3	175.6	-174.5	55.7	58.1	164.4	11.6	111.9	Q507 E510 Y550 Y612 L613 W614 Y618 S619 I620 F674	Q507-R616 PolarHBondContact O-NH1 3.45Å; Q507-R616 VanDerWaalsContact OE1-CB 3.22Å; E510-R616 VanDerWaalsContact CD-NH2 3.27Å; E510-R616 IonicContact OE1-CZ 4Å; E510-R616 IonicContact OE1-NH1 2.68Å; E510-R616 IonicContact OE1-NH2 3.51Å; E510-R616 PolarHBondContact OE1-NH2 2.93Å; E510-R616 IonicContact OE2-CZ 2.7Å; E510-R616 IonicContact OE2-NH1 3.55Å; E510-R616 PolarHBondContact OE2-NH1 3.46Å; E510-R616 IonicContact OE2-NH2 3.62Å; E510-R616 PolarHBondContact OE2-NH2 3.01Å; Y550-R616 HydrophobicContact CE1-CG 4.05Å; Y612-R616 WeakPolarHBondContact O-CB 3.47Å; Y612-R616 PolarHBondContact O-N 3.09Å; L613-R616 WeakPolarHBondContact O-CB 3.37Å; L613-R616 PolarHBondContact O-N 3.4Å; W614-R616 VanDerWaalsContact C-N 3.29Å; W614-R616 PolarHBondContact O-N 2.73Å; R616-Y618 PolarHBondContact O-N 3.43Å; R616-S619 WeakPolarHBondContact CA-OG 3.16Å; R616-S619 PolarHBondContact O-OG 3.39Å; R616-I620 WeakPolarHBondContact O-CG1 3.32Å; R616-I620 PolarHBondContact O-N 3.04Å; R616-F674 HydrophobicContact CG-CD2 4.24Å; R616-F674 HydrophobicContact CG-CE2 3.89Å
617	V	94	Very high	95.3	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.03	7%	0.071	C	C	.	.	H	α-helix	trans	-60.5	-48.6	179.5	173.1	0	0	0	0	110.3	F276 L613 W614 S615 I620 D621 D671 F674	F276-V617 HydrophobicContact CE2-CG2 4.42Å; F276-V617 HydrophobicContact CZ-CG2 4.4Å; L613-V617 WeakPolarHBondContact O-CG2 3.41Å; L613-V617 PolarHBondContact O-N 3.28Å; W614-V617 PolarHBondContact O-N 2.9Å; S615-V617 VanDerWaalsContact C-N 3.34Å; S615-V617 PolarHBondContact O-N 3.49Å; V617-I620 PolarHBondContact O-N 3.35Å; V617-D621 PolarHBondContact O-N 3.41Å; V617-D671 VanDerWaalsContact CG1-CA 3.49Å; V617-D671 HydrophobicContact CG1-CB 3.47Å; V617-D671 VanDerWaalsContact CG1-CB 3.47Å; V617-F674 HydrophobicContact CG1-CB 4.4Å; V617-F674 HydrophobicContact CG2-CB 4.46Å; V617-F674 HydrophobicContact CG2-CD1 4.24Å; V617-F674 HydrophobicContact CG2-CD2 4.41Å; V617-F674 HydrophobicContact CG2-CG 4.11Å
618	Y	95	Very high	95.3	Very high	45 Å²	45	21.3 Å²	21.3	18%	0.176	10%	0.096	C	C	.	.	H	α-helix	trans	-71.7	-36.5	-178.4	-65.8	-10.2	0	0	0	113.2	W614 S615 R616 I620 D621 I622 L661 P669	W614-Y618 AromaticContact CD1-CD2 3.97Å; W614-Y618 AromaticContact CD1-CE2 3.71Å; W614-Y618 AromaticContact CE2-CE2 3.96Å; W614-Y618 AromaticContact CE2-CZ 3.88Å; W614-Y618 HydrophobicContact CZ2-CE2 4.46Å; W614-Y618 VanDerWaalsContact CZ2-OH 3.3Å; W614-Y618 WeakPolarHBondContact CZ2-OH 3.32Å; W614-Y618 AromaticContact NE1-CD2 3.78Å; W614-Y618 AromaticContact NE1-CE2 3.04Å; W614-Y618 AromaticContact NE1-CZ 3.42Å; W614-Y618 PolarHBondContact O-N 2.95Å; S615-Y618 PolarHBondContact O-N 3.29Å; R616-Y618 PolarHBondContact O-N 3.43Å; Y618-I620 VanDerWaalsContact C-N 3.27Å; Y618-I620 PolarHBondContact O-N 2.95Å; Y618-D621 WeakPolarHBondContact O-CB 3.34Å; Y618-D621 PolarHBondContact O-N 3.24Å; Y618-D621 VanDerWaalsContact O-N 3.1Å; Y618-I622 VanDerWaalsContact O-CG1 3.29Å; Y618-I622 WeakPolarHBondContact O-CG1 3.4Å; Y618-I622 PolarHBondContact O-N 3.07Å; Y618-L661 HydrophobicContact CD2-CD1 3.68Å; Y618-L661 HydrophobicContact CE2-CD1 4.08Å; Y618-P669 HydrophobicContact CD1-CB 3.7Å; Y618-P669 HydrophobicContact CD1-CG 4.25Å; Y618-P669 HydrophobicContact CD2-CB 4.24Å; Y618-P669 HydrophobicContact CD2-CG 4.19Å; Y618-P669 HydrophobicContact CE1-CB 3.8Å; Y618-P669 HydrophobicContact CE1-CG 3.95Å; Y618-P669 HydrophobicContact CE2-CB 4.3Å; Y618-P669 HydrophobicContact CE2-CG 3.84Å; Y618-P669 HydrophobicContact CG-CB 3.94Å; Y618-P669 HydrophobicContact CG-CG 4.38Å
619	S	96.8	Very high	95.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-33.2	177.8	62.9	0	0	0	0	113.1	C504 S615 R616 F623	C504-S619 WeakPolarHBondContact O-CB 3.15Å; S615-S619 VanDerWaalsContact O-CB 3.25Å; S615-S619 WeakPolarHBondContact O-CB 3.35Å; S615-S619 PolarHBondContact O-N 3.5Å; S615-S619 PolarHBondContact O-OG 2.99Å; R616-S619 WeakPolarHBondContact CA-OG 3.16Å; R616-S619 PolarHBondContact O-OG 3.39Å; S619-F623 PolarHBondContact O-N 3.33Å; S619-F623 VanDerWaalsContact O-N 3.07Å
620	I	96.6	Very high	95.2	Very high	9 Å²	9	24.9 Å²	24.9	5%	0.046	13%	0.125	C	C	.	.	H	α-helix	trans	-72.1	-37.1	174.1	-59.3	-58.1	0	0	0	111.4	R542 R616 V617 Y618 F623 E624 A673 F674 L677	R542-I620 VanDerWaalsContact NH2-CD1 3.27Å; R616-I620 WeakPolarHBondContact O-CG1 3.32Å; R616-I620 PolarHBondContact O-N 3.04Å; V617-I620 PolarHBondContact O-N 3.35Å; Y618-I620 VanDerWaalsContact C-N 3.27Å; Y618-I620 PolarHBondContact O-N 2.95Å; I620-F623 PolarHBondContact O-N 3.45Å; I620-E624 WeakPolarHBondContact O-CB 3.38Å; I620-E624 PolarHBondContact O-N 2.81Å; I620-A673 HydrophobicContact CB-CB 4.47Å; I620-A673 HydrophobicContact CG2-CB 3.78Å; I620-F674 HydrophobicContact CG1-CD2 4.28Å; I620-L677 HydrophobicContact CD1-CD2 3.98Å; I620-L677 HydrophobicContact CG1-CD2 4.29Å; I620-L677 HydrophobicContact CG2-CB 4.49Å; I620-L677 HydrophobicContact CG2-CD2 4.31Å
621	D	97	Very high	95	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-45.5	174.1	-171.8	22.1	0	0	0	111.8	V617 Y618 F623 S625 R667 P669 N670 A673	V617-D621 PolarHBondContact O-N 3.41Å; Y618-D621 WeakPolarHBondContact O-CB 3.34Å; Y618-D621 PolarHBondContact O-N 3.24Å; Y618-D621 VanDerWaalsContact O-N 3.1Å; D621-F623 PolarHBondContact O-N 3.39Å; D621-S625 VanDerWaalsContact O-CB 3.25Å; D621-S625 WeakPolarHBondContact O-CB 3.35Å; D621-S625 PolarHBondContact O-N 2.97Å; D621-S625 PolarHBondContact O-OG 3.26Å; D621-R667 IonicContact OD1-CZ 2.73Å; D621-R667 IonicContact OD1-NH1 3.3Å; D621-R667 PolarHBondContact OD1-NH1 2.84Å; D621-R667 IonicContact OD1-NH2 3.69Å; D621-R667 PolarHBondContact OD1-NH2 2.65Å; D621-R667 IonicContact OD2-CZ 3.44Å; D621-R667 IonicContact OD2-NH1 3.74Å; D621-R667 PolarHBondContact OD2-NH1 2.9Å; D621-R667 IonicContact OD2-NH2 2.81Å; D621-P669 WeakPolarHBondContact OD2-CA 3.41Å; D621-N670 PolarHBondContact OD2-N 2.7Å; D621-A673 HydrophobicContact CB-CB 4.24Å
622	I	97.2	Very high	95	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-56.5	-50.1	174.1	-66.8	171.7	0	0	0	110.5	C504 M508 Y618 R626 L661 F664 L665	C504-I622 WeakPolarHBondContact SG-CD1 3.33Å; M508-I622 HydrophobicContact CG-CB 4.04Å; M508-I622 HydrophobicContact CG-CG2 3.58Å; M508-I622 HydrophobicContact SD-CG2 3.49Å; M508-I622 WeakPolarHBondContact SD-CG2 3.46Å; Y618-I622 VanDerWaalsContact O-CG1 3.29Å; Y618-I622 WeakPolarHBondContact O-CG1 3.4Å; Y618-I622 PolarHBondContact O-N 3.07Å; I622-R626 WeakPolarHBondContact O-CB 3.42Å; I622-R626 PolarHBondContact O-N 2.94Å; I622-R626 VanDerWaalsContact O-N 3.12Å; I622-L661 HydrophobicContact CD1-CD2 3.65Å; I622-L661 HydrophobicContact CG1-CD2 4.24Å; I622-F664 HydrophobicContact CG2-CD1 4.16Å; I622-F664 HydrophobicContact CG2-CE1 3.57Å; I622-F664 HydrophobicContact CG2-CZ 4.45Å; I622-L665 HydrophobicContact CG1-CD2 4.15Å
623	F	97	Very high	94.7	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.039	20%	0.202	C	C	.	.	I	π-helix	trans	-64.9	-50.3	-178.2	-177.2	-99.9	0	0	0	112.1	M508 N511 W512 S619 I620 D621 F627 Q628 C635	M508-F623 HydrophobicContact CG-CB 4.26Å; N511-F623 HydrophobicContact CB-CB 4.33Å; N511-F623 HydrophobicContact CB-CD1 3.84Å; N511-F623 HydrophobicContact CB-CD2 3.28Å; N511-F623 HydrophobicContact CB-CE1 3.9Å; N511-F623 HydrophobicContact CB-CE2 3.35Å; N511-F623 HydrophobicContact CB-CG 3.53Å; N511-F623 HydrophobicContact CB-CZ 3.66Å; N511-F623 VanDerWaalsContact CG-CG 3.42Å; W512-F623 HydrophobicContact CE3-CE2 4.28Å; W512-F623 HydrophobicContact CZ3-CD2 4.12Å; W512-F623 HydrophobicContact CZ3-CE2 4.13Å; S619-F623 PolarHBondContact O-N 3.33Å; S619-F623 VanDerWaalsContact O-N 3.07Å; I620-F623 PolarHBondContact O-N 3.45Å; D621-F623 PolarHBondContact O-N 3.39Å; F623-F627 HydrophobicContact CD2-CB 3.82Å; F623-F627 HydrophobicContact CD2-CG 4.5Å; F623-F627 HydrophobicContact CE2-CB 4.06Å; F623-F627 PolarHBondContact O-N 2.98Å; F623-F627 VanDerWaalsContact O-N 3.15Å; F623-Q628 HydrophobicContact CD1-CB 4.38Å; F623-Q628 HydrophobicContact CE1-CB 4.1Å; F623-Q628 WeakPolarHBondContact O-CB 3.22Å; F623-Q628 PolarHBondContact O-N 3.05Å; F623-C635 HydrophobicContact CE2-CB 3.76Å; F623-C635 HydrophobicContact CZ-CB 3.95Å
624	E	95.5	Very high	94.7	Very high	41 Å²	41	38 Å²	38	19%	0.192	21%	0.209	C	C	.	.	I	π-helix	trans	-62.5	-49.6	-178.1	-175.9	-174.7	-158.2	0	0	111.3	I620 C629 A673 K676	I620-E624 WeakPolarHBondContact O-CB 3.38Å; I620-E624 PolarHBondContact O-N 2.81Å; E624-C629 PolarHBondContact O-SG 2.65Å; E624-A673 HydrophobicContact CB-CB 4.08Å; E624-A673 WeakPolarHBondContact OE2-CA 3.16Å; E624-A673 WeakPolarHBondContact OE2-CB 3.3Å; E624-K676 WeakPolarHBondContact OE1-CD 3.36Å; E624-K676 WeakPolarHBondContact OE1-CE 3.33Å; E624-K676 IonicContact OE1-NZ 3.99Å; E624-K676 PolarHBondContact OE1-NZ 3.35Å
625	S	95	Very high	94.7	Very high	38 Å²	38	36.8 Å²	36.8	27%	0.266	20%	0.204	S	C	.	.	I	π-helix	trans	-79.2	-29.2	-168.7	66	0	0	0	0	114.1	D621 L665	D621-S625 VanDerWaalsContact O-CB 3.25Å; D621-S625 WeakPolarHBondContact O-CB 3.35Å; D621-S625 PolarHBondContact O-N 2.97Å; D621-S625 PolarHBondContact O-OG 3.26Å; S625-L665 WeakPolarHBondContact OG-CD2 3Å
626	R	96.2	Very high	94.6	Very high	44 Å²	44	38.8 Å²	38.8	17%	0.166	21%	0.214	C	C	.	.	I	π-helix	trans	-109.2	-56.6	-176.3	-62.3	-67.3	-52.6	-65.3	0.6	112	I622 A630 V640 D643 F664 L665	I622-R626 WeakPolarHBondContact O-CB 3.42Å; I622-R626 PolarHBondContact O-N 2.94Å; I622-R626 VanDerWaalsContact O-N 3.12Å; R626-A630 WeakPolarHBondContact O-CB 3.39Å; R626-A630 PolarHBondContact O-N 2.98Å; R626-V640 HydrophobicContact CB-CG1 3.84Å; R626-D643 IonicContact CZ-OD2 2.97Å; R626-D643 IonicContact NH2-OD2 2.73Å; R626-D643 PolarHBondContact NH2-OD2 2.67Å; R626-F664 HydrophobicContact CB-CE1 3.79Å; R626-F664 HydrophobicContact CB-CZ 4.07Å; R626-F664 HydrophobicContact CG-CD1 4.06Å; R626-F664 HydrophobicContact CG-CE1 3.53Å; R626-F664 HydrophobicContact CG-CZ 4.15Å; R626-F664 VanDerWaalsContact NH1-CE1 3.31Å; R626-F664 VanDerWaalsContact NH1-CG 3.29Å; R626-F664 PolarHBondContact NH1-O 3Å; R626-L665 HydrophobicContact CG-CD2 4.16Å
627	F	96.1	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-75.7	-54.9	-174.8	-81.4	-74	0	0	0	112.5	L358 M508 W512 F623 C629 A630 G634 C635 V640 Y644 F664	L358-F627 HydrophobicContact CD1-CE1 3.61Å; L358-F627 HydrophobicContact CD1-CZ 4.15Å; M508-F627 HydrophobicContact CE-CE2 4.05Å; M508-F627 HydrophobicContact SD-CD2 3.54Å; M508-F627 VanDerWaalsContact SD-CD2 3.54Å; M508-F627 HydrophobicContact SD-CE2 3.35Å; M508-F627 WeakPolarHBondContact SD-CE2 3.48Å; M508-F627 HydrophobicContact SD-CZ 4.43Å; W512-F627 AromaticContact CH2-CD1 3.8Å; W512-F627 HydrophobicContact CH2-CD1 3.8Å; W512-F627 HydrophobicContact CH2-CD2 4.17Å; W512-F627 AromaticContact CH2-CE1 3.88Å; W512-F627 HydrophobicContact CH2-CE1 3.88Å; W512-F627 HydrophobicContact CH2-CE2 4.22Å; W512-F627 AromaticContact CH2-CG 3.95Å; W512-F627 HydrophobicContact CH2-CG 3.95Å; W512-F627 HydrophobicContact CH2-CZ 4.06Å; W512-F627 HydrophobicContact CZ2-CD1 4.01Å; W512-F627 HydrophobicContact CZ2-CE1 4.08Å; F623-F627 HydrophobicContact CD2-CB 3.82Å; F623-F627 HydrophobicContact CD2-CG 4.5Å; F623-F627 HydrophobicContact CE2-CB 4.06Å; F623-F627 PolarHBondContact O-N 2.98Å; F623-F627 VanDerWaalsContact O-N 3.15Å; F627-C629 PolarHBondContact O-N 3.18Å; F627-A630 VanDerWaalsContact O-CB 3.32Å; F627-A630 WeakPolarHBondContact O-CB 3.42Å; F627-A630 PolarHBondContact O-N 3.36Å; F627-A630 VanDerWaalsContact O-N 3.1Å; F627-G634 CarbonylContact O-C 3.37Å; F627-G634 WeakPolarHBondContact O-CA 3.41Å; F627-C635 PolarHBondContact O-N 2.97Å; F627-V640 HydrophobicContact CD1-CB 4.17Å; F627-V640 HydrophobicContact CD1-CG1 3.78Å; F627-V640 HydrophobicContact CD2-CG1 3.98Å; F627-V640 HydrophobicContact CE1-CB 3.93Å; F627-V640 HydrophobicContact CE1-CG1 3.6Å; F627-V640 HydrophobicContact CE2-CG1 3.84Å; F627-V640 HydrophobicContact CG-CG1 3.97Å; F627-V640 HydrophobicContact CZ-CB 4.38Å; F627-V640 HydrophobicContact CZ-CG1 3.67Å; F627-Y644 HydrophobicContact CE2-CD2 4.25Å; F627-Y644 HydrophobicContact CE2-CG 4.3Å; F627-Y644 HydrophobicContact CZ-CG 4.27Å; F627-F664 HydrophobicContact CE2-CZ 4.28Å
628	Q	93.3	Very high	94.7	Very high	110 Å²	110	43.4 Å²	43.4	51%	0.514	24%	0.235	S	C	.	.	I	π-helix	trans	-62.4	-33.1	-176.3	-173.4	173.7	-3.2	0	0	112.5	F623	F623-Q628 HydrophobicContact CD1-CB 4.38Å; F623-Q628 HydrophobicContact CE1-CB 4.1Å; F623-Q628 WeakPolarHBondContact O-CB 3.22Å; F623-Q628 PolarHBondContact O-N 3.05Å
629	C	91.1	Very high	94.7	Very high	90 Å²	90	44.1 Å²	44.1	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	4.3	178.5	-63.8	0	0	0	0	114.4	E624 F627 M631	E624-C629 PolarHBondContact O-SG 2.65Å; F627-C629 PolarHBondContact O-N 3.18Å; C629-M631 PolarHBondContact O-N 3.23Å
630	A	95.2	Very high	94.7	Very high	15 Å²	15	44.6 Å²	44.6	12%	0.124	25%	0.249	C	C	.	.			trans	-69	127.1	-175.6	0	0	0	0	0	112.4	R626 F627 D632 G634 S637 V640	R626-A630 WeakPolarHBondContact O-CB 3.39Å; R626-A630 PolarHBondContact O-N 2.98Å; F627-A630 VanDerWaalsContact O-CB 3.32Å; F627-A630 WeakPolarHBondContact O-CB 3.42Å; F627-A630 PolarHBondContact O-N 3.36Å; F627-A630 VanDerWaalsContact O-N 3.1Å; A630-D632 VanDerWaalsContact C-N 3.28Å; A630-D632 PolarHBondContact O-N 3.18Å; A630-G634 WeakPolarHBondContact O-CA 3.21Å; A630-G634 PolarHBondContact O-N 2.79Å; A630-S637 VanDerWaalsContact CB-CB 3.42Å; A630-V640 HydrophobicContact CB-CG2 3.85Å
631	M	91.4	Very high	94.8	Very high	197 Å²	197	44.2 Å²	44.2	97%	0.97	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-23	-177.6	-64	-171.7	-69.2	0	0	113.6	C629 G633	C629-M631 PolarHBondContact O-N 3.23Å; M631-G633 PolarHBondContact O-N 3.09Å
632	D	92.6	Very high	94.7	Very high	77 Å²	77	47.4 Å²	47.4	41%	0.412	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	28.5	-176.6	67.1	-38.7	0	0	0	113.6	A630 S637 K638 S639	A630-D632 VanDerWaalsContact C-N 3.28Å; A630-D632 PolarHBondContact O-N 3.18Å; D632-S637 WeakPolarHBondContact OD1-CB 3.49Å; D632-S637 PolarHBondContact OD1-OG 3.02Å; D632-S637 PolarHBondContact OD2-OG 3.11Å; D632-K638 PolarHBondContact OD2-N 3.16Å; D632-S639 PolarHBondContact OD1-OG 3.47Å; D632-S639 VanDerWaalsContact OD2-CB 3.3Å; D632-S639 WeakPolarHBondContact OD2-CB 3.35Å; D632-S639 PolarHBondContact OD2-N 2.81Å; D632-S639 VanDerWaalsContact OD2-N 3.08Å; D632-S639 PolarHBondContact OD2-OG 3.38Å
633	G	90.5	Very high	94.7	Very high	42 Å²	42	50.1 Å²	50.1	43%	0.433	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	126.8	18.8	171.9	0	0	0	0	0	115.7	M631 C635 L636	M631-G633 PolarHBondContact O-N 3.09Å; G633-C635 PolarHBondContact O-N 2.86Å; G633-L636 PolarHBondContact O-N 3.28Å
634	G	93.3	Very high	94.8	Very high	16 Å²	16	49.7 Å²	49.7	17%	0.165	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	57.9	-129.6	179.1	0	0	0	0	0	111.8	F627 A630 L636 S637	F627-G634 CarbonylContact O-C 3.37Å; F627-G634 WeakPolarHBondContact O-CA 3.41Å; A630-G634 WeakPolarHBondContact O-CA 3.21Å; A630-G634 PolarHBondContact O-N 2.79Å; G634-L636 PolarHBondContact O-N 2.86Å; G634-S637 WeakPolarHBondContact O-CB 3.47Å; G634-S637 PolarHBondContact O-N 2.82Å
635	C	93	Very high	94.9	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-62.2	-12.5	178.6	65.5	0	0	0	0	113.9	W512 N515 F623 F627 G633	W512-C635 HydrophobicContact CZ2-CB 4.44Å; W512-C635 WeakPolarHBondContact CZ2-O 3.47Å; W512-C635 PolarHBondContact NE1-O 3.24Å; N515-C635 VanDerWaalsContact CG-SG 3.54Å; N515-C635 PolarHBondContact OD1-SG 3.24Å; F623-C635 HydrophobicContact CE2-CB 3.76Å; F623-C635 HydrophobicContact CZ-CB 3.95Å; F627-C635 PolarHBondContact O-N 2.97Å; G633-C635 PolarHBondContact O-N 2.86Å
636	L	94.4	Very high	95	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.215	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-97.7	9.3	175.2	-56.8	-180	0	0	0	113.2	L354 D517 A521 G633 G634 K638	L354-L636 HydrophobicContact CD2-CD2 3.7Å; D517-L636 HydrophobicContact CB-CD1 4.12Å; A521-L636 HydrophobicContact CB-CD1 4.07Å; A521-L636 HydrophobicContact CB-CD2 3.94Å; G633-L636 PolarHBondContact O-N 3.28Å; G634-L636 PolarHBondContact O-N 2.86Å; L636-K638 PolarHBondContact O-N 3.09Å
637	S	96.4	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.			trans	-54.5	121.9	177.5	171.1	0	0	0	0	112.3	A630 D632 G634 S639 V640 G641	A630-S637 VanDerWaalsContact CB-CB 3.42Å; D632-S637 WeakPolarHBondContact OD1-CB 3.49Å; D632-S637 PolarHBondContact OD1-OG 3.02Å; D632-S637 PolarHBondContact OD2-OG 3.11Å; G634-S637 WeakPolarHBondContact O-CB 3.47Å; G634-S637 PolarHBondContact O-N 2.82Å; S637-S639 PolarHBondContact OG-OG 3.28Å; S637-V640 WeakPolarHBondContact OG-CB 3.49Å; S637-V640 VanDerWaalsContact OG-CG2 3.31Å; S637-V640 WeakPolarHBondContact OG-CG2 3.3Å; S637-V640 PolarHBondContact OG-N 3.16Å; S637-G641 PolarHBondContact O-N 2.67Å; S637-G641 VanDerWaalsContact O-N 3.15Å
638	K	94.2	Very high	95.2	Very high	132 Å²	132	49.9 Å²	49.9	57%	0.574	27%	0.269	S	S	*	.	H	α-helix	trans	-76.7	-36.7	176.2	-68.4	-179.7	178.4	179.4	0	111.4	Q357 D632 L636 G641 R642	Q357-K638 HydrophobicContact CG-CG 4.28Å; D632-K638 PolarHBondContact OD2-N 3.16Å; L636-K638 PolarHBondContact O-N 3.09Å; K638-G641 PolarHBondContact O-N 3.01Å; K638-R642 WeakPolarHBondContact O-CB 3.21Å; K638-R642 PolarHBondContact O-N 3.48Å
639	S	95.8	Very high	95.4	Very high	60 Å²	60	44.7 Å²	44.7	42%	0.42	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-45.6	179	64.4	0	0	0	0	111.8	D632 S637 R642 D643	D632-S639 PolarHBondContact OD1-OG 3.47Å; D632-S639 VanDerWaalsContact OD2-CB 3.3Å; D632-S639 WeakPolarHBondContact OD2-CB 3.35Å; D632-S639 PolarHBondContact OD2-N 2.81Å; D632-S639 VanDerWaalsContact OD2-N 3.08Å; D632-S639 PolarHBondContact OD2-OG 3.38Å; S637-S639 PolarHBondContact OG-OG 3.28Å; S639-R642 PolarHBondContact O-N 3.43Å; S639-D643 PolarHBondContact O-N 2.85Å
640	V	97.3	Very high	95.7	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-70	-36.1	178.2	-178.4	0	0	0	0	110.7	R626 F627 A630 S637 D643 Y644 F664	R626-V640 HydrophobicContact CB-CG1 3.84Å; F627-V640 HydrophobicContact CD1-CB 4.17Å; F627-V640 HydrophobicContact CD1-CG1 3.78Å; F627-V640 HydrophobicContact CD2-CG1 3.98Å; F627-V640 HydrophobicContact CE1-CB 3.93Å; F627-V640 HydrophobicContact CE1-CG1 3.6Å; F627-V640 HydrophobicContact CE2-CG1 3.84Å; F627-V640 HydrophobicContact CG-CG1 3.97Å; F627-V640 HydrophobicContact CZ-CB 4.38Å; F627-V640 HydrophobicContact CZ-CG1 3.67Å; A630-V640 HydrophobicContact CB-CG2 3.85Å; S637-V640 WeakPolarHBondContact OG-CB 3.49Å; S637-V640 VanDerWaalsContact OG-CG2 3.31Å; S637-V640 WeakPolarHBondContact OG-CG2 3.3Å; S637-V640 PolarHBondContact OG-N 3.16Å; V640-D643 PolarHBondContact O-N 3.48Å; V640-Y644 VanDerWaalsContact O-CB 3.28Å; V640-Y644 WeakPolarHBondContact O-CB 3.2Å; V640-Y644 PolarHBondContact O-N 3.4Å; V640-F664 HydrophobicContact CG1-CZ 3.99Å
641	G	97.2	Very high	95.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-42.7	171.5	0	0	0	0	0	113.6	L358 S637 K638 Y644 R645	L358-G641 CarbonylContact O-C 3.6Å; L358-G641 WeakPolarHBondContact O-CA 3.26Å; S637-G641 PolarHBondContact O-N 2.67Å; S637-G641 VanDerWaalsContact O-N 3.15Å; K638-G641 PolarHBondContact O-N 3.01Å; G641-Y644 WeakPolarHBondContact O-CB 3.33Å; G641-Y644 PolarHBondContact O-N 3.03Å; G641-R645 PolarHBondContact O-N 3.48Å
642	R	96.2	Very high	96	Very high	71 Å²	71	35.5 Å²	35.5	27%	0.268	18%	0.184	S	C	.	.	H	α-helix	trans	-64.9	-46.8	174.4	-173.8	67.6	-170.3	-155.4	8.4	111.6	D383 K638 S639 Y644 R645 E646	D383-R642 IonicContact OD2-NH1 3.27Å; K638-R642 WeakPolarHBondContact O-CB 3.21Å; K638-R642 PolarHBondContact O-N 3.48Å; S639-R642 PolarHBondContact O-N 3.43Å; R642-Y644 PolarHBondContact O-N 3.36Å; R642-R645 PolarHBondContact O-N 3.28Å; R642-E646 HydrophobicContact CG-CG 4.42Å; R642-E646 IonicContact CZ-OE1 3.84Å; R642-E646 VanDerWaalsContact CZ-OE1 3.27Å; R642-E646 IonicContact NE-OE1 2.78Å; R642-E646 PolarHBondContact NE-OE1 2.73Å; R642-E646 IonicContact NH2-OE1 2.71Å; R642-E646 PolarHBondContact NH2-OE1 2.92Å; R642-E646 WeakPolarHBondContact O-CG 3.42Å; R642-E646 PolarHBondContact O-N 3.19Å
643	D	97.4	Very high	96.2	Very high	58 Å²	58	32 Å²	32	31%	0.31	17%	0.166	S	C	.	.	H	α-helix	trans	-56.2	-40.2	174.2	-83.2	-1.7	0	0	0	111.5	R626 S639 V640 E646 K647 F664	R626-D643 IonicContact CZ-OD2 2.97Å; R626-D643 IonicContact NH2-OD2 2.73Å; R626-D643 PolarHBondContact NH2-OD2 2.67Å; S639-D643 PolarHBondContact O-N 2.85Å; V640-D643 PolarHBondContact O-N 3.48Å; D643-E646 PolarHBondContact O-N 3.36Å; D643-K647 VanDerWaalsContact O-CB 3.25Å; D643-K647 WeakPolarHBondContact O-CB 3.2Å; D643-K647 WeakPolarHBondContact O-CG 3.41Å; D643-K647 PolarHBondContact O-N 3.07Å; D643-F664 HydrophobicContact CB-CD2 4.4Å; D643-F664 HydrophobicContact CB-CE2 3.92Å
644	Y	98.1	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-45.5	-179.4	-179.2	-101.8	0	0	0	110.9	L359 P505 M508 L509 F627 V640 G641 R642 E646 I648 L649 F664	L359-Y644 HydrophobicContact CD2-CD1 4.09Å; P505-Y644 VanDerWaalsContact C-OH 3.29Å; P505-Y644 WeakPolarHBondContact CA-OH 3.27Å; P505-Y644 WeakPolarHBondContact CB-OH 3.31Å; P505-Y644 PolarHBondContact O-OH 3.32Å; M508-Y644 HydrophobicContact CE-CE1 4.06Å; M508-Y644 HydrophobicContact CE-CE2 3.94Å; M508-Y644 HydrophobicContact SD-CD2 4.25Å; M508-Y644 HydrophobicContact SD-CE2 3.82Å; L509-Y644 HydrophobicContact CD1-CE1 4.18Å; L509-Y644 HydrophobicContact CD2-CE1 4.33Å; L509-Y644 HydrophobicContact CG-CE1 4.43Å; F627-Y644 HydrophobicContact CE2-CD2 4.25Å; F627-Y644 HydrophobicContact CE2-CG 4.3Å; F627-Y644 HydrophobicContact CZ-CG 4.27Å; V640-Y644 VanDerWaalsContact O-CB 3.28Å; V640-Y644 WeakPolarHBondContact O-CB 3.2Å; V640-Y644 PolarHBondContact O-N 3.4Å; G641-Y644 WeakPolarHBondContact O-CB 3.33Å; G641-Y644 PolarHBondContact O-N 3.03Å; R642-Y644 PolarHBondContact O-N 3.36Å; Y644-E646 PolarHBondContact O-N 3.39Å; Y644-I648 HydrophobicContact CD2-CB 3.93Å; Y644-I648 HydrophobicContact CD2-CG1 3.82Å; Y644-I648 HydrophobicContact CD2-CG2 4.25Å; Y644-I648 HydrophobicContact CE2-CB 3.94Å; Y644-I648 HydrophobicContact CE2-CG1 4.04Å; Y644-I648 HydrophobicContact CE2-CG2 3.73Å; Y644-I648 WeakPolarHBondContact O-CA 3.13Å; Y644-I648 VanDerWaalsContact O-CB 3.27Å; Y644-I648 WeakPolarHBondContact O-CB 3.46Å; Y644-I648 PolarHBondContact O-N 2.74Å; Y644-L649 HydrophobicContact CD1-CD1 4.05Å; Y644-L649 HydrophobicContact CD1-CG 4.11Å; Y644-L649 HydrophobicContact CE1-CD1 3.84Å; Y644-L649 HydrophobicContact CE1-CD2 3.78Å; Y644-L649 HydrophobicContact CE1-CG 3.83Å; Y644-L649 PolarHBondContact O-N 3.19Å; Y644-F664 VanDerWaalsContact CA-CE2 3.48Å; Y644-F664 HydrophobicContact CD2-CE1 4.47Å; Y644-F664 HydrophobicContact CD2-CE2 4.18Å; Y644-F664 AromaticContact CD2-CZ 3.99Å; Y644-F664 HydrophobicContact CD2-CZ 3.99Å
645	R	97.8	Very high	96.5	Very high	18 Å²	18	35.5 Å²	35.5	7%	0.068	17%	0.168	C	C	.	.	I	π-helix	trans	-56.9	-49.1	172	-179.3	176.1	167.3	-156.1	-8.9	111.6	L359 G360 D383 C484 G641 R642 L649 R650	L359-R645 HydrophobicContact CD2-CB 4.07Å; L359-R645 WeakPolarHBondContact O-CD 3.44Å; L359-R645 PolarHBondContact O-NH1 3.28Å; G360-R645 PolarHBondContact O-NH1 2.66Å; G360-R645 VanDerWaalsContact O-NH1 3.11Å; D383-R645 IonicContact OD2-CZ 3.59Å; D383-R645 VanDerWaalsContact OD2-CZ 3.26Å; D383-R645 IonicContact OD2-NH1 3.26Å; D383-R645 PolarHBondContact OD2-NH1 3.17Å; D383-R645 IonicContact OD2-NH2 3.68Å; D383-R645 PolarHBondContact OD2-NH2 2.64Å; C484-R645 HydrophobicContact CB-CG 4.13Å; G641-R645 PolarHBondContact O-N 3.48Å; R642-R645 PolarHBondContact O-N 3.28Å; R645-L649 PolarHBondContact O-N 2.87Å; R645-R650 WeakPolarHBondContact O-CB 3.46Å; R645-R650 PolarHBondContact O-N 3.49Å
646	E	97.6	Very high	96.5	Very high	50 Å²	50	38.6 Å²	38.6	23%	0.234	18%	0.184	C	C	.	.	I	π-helix	trans	-74.4	-37.1	-172.4	-67.2	-63.2	158.7	0	0	113.9	R642 D643 Y644 R650	R642-E646 HydrophobicContact CG-CG 4.42Å; R642-E646 IonicContact CZ-OE1 3.84Å; R642-E646 VanDerWaalsContact CZ-OE1 3.27Å; R642-E646 IonicContact NE-OE1 2.78Å; R642-E646 PolarHBondContact NE-OE1 2.73Å; R642-E646 IonicContact NH2-OE1 2.71Å; R642-E646 PolarHBondContact NH2-OE1 2.92Å; R642-E646 WeakPolarHBondContact O-CG 3.42Å; R642-E646 PolarHBondContact O-N 3.19Å; D643-E646 PolarHBondContact O-N 3.36Å; Y644-E646 PolarHBondContact O-N 3.39Å; E646-R650 IonicContact OE1-NH1 3.64Å; E646-R650 WeakPolarHBondContact OE2-CD 3.38Å; E646-R650 IonicContact OE2-CZ 3.2Å; E646-R650 IonicContact OE2-NE 3.57Å; E646-R650 IonicContact OE2-NH1 2.73Å; E646-R650 PolarHBondContact OE2-NH1 3.3Å
647	K	98.1	Very high	96.5	Very high	58 Å²	58	37 Å²	37	25%	0.252	18%	0.177	S	C	.	.	I	π-helix	trans	-98.7	-27.1	-172.9	-60.1	-173.8	176.1	-152.6	0	114.1	D643 D663 F664	D643-K647 VanDerWaalsContact O-CB 3.25Å; D643-K647 WeakPolarHBondContact O-CB 3.2Å; D643-K647 WeakPolarHBondContact O-CG 3.41Å; D643-K647 PolarHBondContact O-N 3.07Å; K647-D663 PolarHBondContact NZ-O 2.72Å; K647-D663 IonicContact NZ-OD1 2.79Å; K647-D663 PolarHBondContact NZ-OD1 3.08Å; K647-F664 HydrophobicContact CB-CB 4.48Å; K647-F664 HydrophobicContact CB-CD2 4.21Å; K647-F664 HydrophobicContact CD-CD2 4.32Å
648	I	97.9	Very high	96.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.199	C	C	.	.	I	π-helix	trans	-107.1	-51.9	-176.7	-60.6	-60.2	0	0	0	111.5	F501 P505 Y644 M660 F664	F501-I648 HydrophobicContact CZ-CD1 4.4Å; F501-I648 HydrophobicContact CZ-CG2 3.96Å; P505-I648 HydrophobicContact CB-CG2 4.33Å; P505-I648 HydrophobicContact CG-CG2 3.84Å; Y644-I648 HydrophobicContact CD2-CB 3.93Å; Y644-I648 HydrophobicContact CD2-CG1 3.82Å; Y644-I648 HydrophobicContact CD2-CG2 4.25Å; Y644-I648 HydrophobicContact CE2-CB 3.94Å; Y644-I648 HydrophobicContact CE2-CG1 4.04Å; Y644-I648 HydrophobicContact CE2-CG2 3.73Å; Y644-I648 WeakPolarHBondContact O-CA 3.13Å; Y644-I648 VanDerWaalsContact O-CB 3.27Å; Y644-I648 WeakPolarHBondContact O-CB 3.46Å; Y644-I648 PolarHBondContact O-N 2.74Å; I648-M660 HydrophobicContact CD1-CB 4.17Å; I648-F664 HydrophobicContact CD1-CB 3.69Å; I648-F664 HydrophobicContact CD1-CG 4.03Å; I648-F664 HydrophobicContact CG1-CB 4.05Å; I648-F664 HydrophobicContact CG1-CD1 4.43Å; I648-F664 HydrophobicContact CG1-CD2 3.93Å; I648-F664 HydrophobicContact CG1-CG 3.87Å
649	L	98.1	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-84.6	-43.5	-172.7	-52.8	-178	0	0	0	113.2	L359 M480 H481 C484 P505 Y644 R645 G652	L359-L649 HydrophobicContact CD1-CD1 4.05Å; L359-L649 HydrophobicContact CD2-CD1 4.04Å; M480-L649 HydrophobicContact CB-CD1 4.36Å; H481-L649 HydrophobicContact CB-CD2 3.87Å; H481-L649 PolarHBondContact CD2-O 3.41Å; C484-L649 HydrophobicContact CB-CB 3.86Å; C484-L649 HydrophobicContact CB-CD1 4.27Å; P505-L649 HydrophobicContact CB-CD2 3.97Å; Y644-L649 HydrophobicContact CD1-CD1 4.05Å; Y644-L649 HydrophobicContact CD1-CG 4.11Å; Y644-L649 HydrophobicContact CE1-CD1 3.84Å; Y644-L649 HydrophobicContact CE1-CD2 3.78Å; Y644-L649 HydrophobicContact CE1-CG 3.83Å; Y644-L649 PolarHBondContact O-N 3.19Å; R645-L649 PolarHBondContact O-N 2.87Å; L649-G652 PolarHBondContact O-N 3.42Å
650	R	97.5	Very high	96.3	Very high	100 Å²	100	35.1 Å²	35.1	38%	0.377	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-41.8	-174.3	-177.8	-177.9	177.2	156.5	4.3	113.2	C484 S485 H486 R645 E646 G652	C484-R650 WeakPolarHBondContact O-CA 3.44Å; S485-R650 WeakPolarHBondContact CA-O 3.49Å; H486-R650 HydrophobicContact CB-CG 3.61Å; H486-R650 PolarHBondContact N-O 2.88Å; R645-R650 WeakPolarHBondContact O-CB 3.46Å; R645-R650 PolarHBondContact O-N 3.49Å; E646-R650 IonicContact OE1-NH1 3.64Å; E646-R650 WeakPolarHBondContact OE2-CD 3.38Å; E646-R650 IonicContact OE2-CZ 3.2Å; E646-R650 IonicContact OE2-NE 3.57Å; E646-R650 IonicContact OE2-NH1 2.73Å; E646-R650 PolarHBondContact OE2-NH1 3.3Å; R650-G652 VanDerWaalsContact C-N 3.27Å; R650-G652 PolarHBondContact O-N 3.07Å
651	P	97.1	Very high	96.3	Very high	10 Å²	10	34.9 Å²	34.9	7%	0.065	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-26	-177.2	-21.1	34	0	0	0	113.6	T487 G653 S654 K655 M660	T487-P651 VanDerWaalsContact CG2-O 3.31Å; T487-P651 WeakPolarHBondContact CG2-O 3.32Å; P651-G653 PolarHBondContact O-N 3.06Å; P651-S654 VanDerWaalsContact O-CB 3.28Å; P651-S654 WeakPolarHBondContact O-CB 3.34Å; P651-S654 PolarHBondContact O-N 2.94Å; P651-S654 VanDerWaalsContact O-N 3.13Å; P651-S654 PolarHBondContact O-OG 3.17Å; P651-K655 HydrophobicContact CB-CB 4.34Å; P651-K655 HydrophobicContact CB-CD 4.11Å; P651-K655 HydrophobicContact CB-CG 4.21Å; P651-K655 HydrophobicContact CG-CD 4.34Å; P651-M660 HydrophobicContact CB-SD 3.7Å; P651-M660 HydrophobicContact CG-CG 4.48Å; P651-M660 HydrophobicContact CG-SD 3.91Å
652	G	96.2	Very high	96.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	49.3	-140.5	-167	0	0	0	0	0	111	V497 L649 R650 S654	V497-G652 WeakPolarHBondContact CG1-O 3.33Å; L649-G652 PolarHBondContact O-N 3.42Å; R650-G652 VanDerWaalsContact C-N 3.27Å; R650-G652 PolarHBondContact O-N 3.07Å; G652-S654 PolarHBondContact O-N 2.71Å
653	G	95.7	Very high	96.3	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-76.9	4.4	178.3	0	0	0	0	0	116	R122 F492 A496 P651 K655	R122-G653 PolarHBondContact NE-O 3.26Å; F492-G653 VanDerWaalsContact CD1-O 3.23Å; F492-G653 WeakPolarHBondContact CD1-O 3.37Å; F492-G653 PolarHBondContact O-N 3.45Å; A496-G653 VanDerWaalsContact O-CA 3.26Å; A496-G653 WeakPolarHBondContact O-CA 3.4Å; P651-G653 PolarHBondContact O-N 3.06Å; G653-K655 PolarHBondContact O-N 3.36Å
654	S	96.1	Very high	96.3	Very high	25 Å²	25	37.3 Å²	37.3	18%	0.175	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-72.8	-15.7	-175.7	69	0	0	0	0	113	R122 P651 G652	R122-S654 WeakPolarHBondContact CD-O 3.38Å; P651-S654 VanDerWaalsContact O-CB 3.28Å; P651-S654 WeakPolarHBondContact O-CB 3.34Å; P651-S654 PolarHBondContact O-N 2.94Å; P651-S654 VanDerWaalsContact O-N 3.13Å; P651-S654 PolarHBondContact O-OG 3.17Å; G652-S654 PolarHBondContact O-N 2.71Å
655	K	94.5	Very high	96.3	Very high	107 Å²	107	38.1 Å²	38.1	47%	0.465	19%	0.192	S	C	.	.	S	Bend	trans	-125.9	158.9	174.7	-67.3	-175.1	179.9	179.8	0	109.9	P651 G653 M660	P651-K655 HydrophobicContact CB-CB 4.34Å; P651-K655 HydrophobicContact CB-CD 4.11Å; P651-K655 HydrophobicContact CB-CG 4.21Å; P651-K655 HydrophobicContact CG-CD 4.34Å; G653-K655 PolarHBondContact O-N 3.36Å; K655-M660 HydrophobicContact CB-CG 3.94Å; K655-M660 HydrophobicContact CB-SD 4.36Å
656	D	93.3	Very high	96.2	Very high	68 Å²	68	40.7 Å²	40.7	36%	0.364	22%	0.224	S	C	.	.			trans	-72.5	137.6	174.6	-66.7	-26.5	0	0	0	110.3	R122 E498 A658 D659 M660	R122-D656 IonicContact CZ-OD1 3.6Å; R122-D656 IonicContact NH1-OD1 2.94Å; R122-D656 PolarHBondContact NH1-OD1 3.07Å; R122-D656 IonicContact NH1-OD2 2.65Å; R122-D656 IonicContact NH2-OD1 2.68Å; R122-D656 PolarHBondContact NH2-OD1 3.14Å; E498-D656 VanDerWaalsContact OE1-CA 3.27Å; E498-D656 WeakPolarHBondContact OE1-CA 3.31Å; D656-A658 PolarHBondContact O-N 3.38Å; D656-D659 WeakPolarHBondContact O-CB 3.49Å; D656-D659 PolarHBondContact O-N 2.93Å; D656-M660 PolarHBondContact O-N 3.06Å
657	A	93.7	Very high	96.2	Very high	7 Å²	7	42.5 Å²	42.5	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-55.6	-37.7	-179.6	0	0	0	0	0	113.4	E498 F501 D659 M660 L661	E498-A657 PolarHBondContact OE1-N 3.36Å; E498-A657 WeakPolarHBondContact OE2-CB 3.29Å; E498-A657 PolarHBondContact OE2-N 2.96Å; F501-A657 HydrophobicContact CB-CB 3.46Å; F501-A657 VanDerWaalsContact CB-CB 3.46Å; F501-A657 HydrophobicContact CD1-CB 3.75Å; F501-A657 HydrophobicContact CD2-CB 3.91Å; F501-A657 HydrophobicContact CE1-CB 4.47Å; F501-A657 HydrophobicContact CG-CB 3.41Å; F501-A657 VanDerWaalsContact CG-CB 3.41Å; A657-D659 VanDerWaalsContact C-N 3.32Å; A657-D659 PolarHBondContact O-N 2.69Å; A657-M660 HydrophobicContact CB-CE 4.32Å; A657-M660 PolarHBondContact O-N 3.46Å; A657-L661 WeakPolarHBondContact O-CB 3.23Å; A657-L661 WeakPolarHBondContact O-CG 3.49Å; A657-L661 PolarHBondContact O-N 3.22Å
658	A	92.2	Very high	96.1	Very high	56 Å²	56	44.6 Å²	44.6	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-61.1	-41.1	176.7	0	0	0	0	0	111.9	D656 K662	D656-A658 PolarHBondContact O-N 3.38Å; A658-K662 VanDerWaalsContact O-CB 3.25Å; A658-K662 WeakPolarHBondContact O-CB 3.26Å; A658-K662 PolarHBondContact O-N 3.39Å
659	D	94.7	Very high	95.8	Very high	95 Å²	95	45.5 Å²	45.5	51%	0.508	25%	0.245	S	C	.	.	H	α-helix	trans	-69.8	-40.8	178	-69.6	-25.5	0	0	0	111.4	D656 A657 K662 D663	D656-D659 WeakPolarHBondContact O-CB 3.49Å; D656-D659 PolarHBondContact O-N 2.93Å; A657-D659 VanDerWaalsContact C-N 3.32Å; A657-D659 PolarHBondContact O-N 2.69Å; D659-K662 PolarHBondContact O-N 2.76Å; D659-D663 VanDerWaalsContact O-CB 3.3Å; D659-D663 WeakPolarHBondContact O-CB 3.47Å; D659-D663 PolarHBondContact O-N 2.89Å
660	M	96.5	Very high	95.6	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-46.9	174.8	-67.2	-168.2	-76.4	0	0	111.6	V497 F501 I648 P651 K655 D656 A657 F664	V497-M660 HydrophobicContact CG1-CE 4.34Å; F501-M660 HydrophobicContact CD1-CE 4.07Å; F501-M660 HydrophobicContact CE1-CE 3.67Å; F501-M660 HydrophobicContact CZ-CE 4.4Å; I648-M660 HydrophobicContact CD1-CB 4.17Å; P651-M660 HydrophobicContact CB-SD 3.7Å; P651-M660 HydrophobicContact CG-CG 4.48Å; P651-M660 HydrophobicContact CG-SD 3.91Å; K655-M660 HydrophobicContact CB-CG 3.94Å; K655-M660 HydrophobicContact CB-SD 4.36Å; D656-M660 PolarHBondContact O-N 3.06Å; A657-M660 HydrophobicContact CB-CE 4.32Å; A657-M660 PolarHBondContact O-N 3.46Å; M660-F664 WeakPolarHBondContact O-CB 3.32Å; M660-F664 PolarHBondContact O-N 2.86Å
661	L	96	Very high	95.4	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-44.4	176.9	-77.6	170.9	0	0	0	111.7	F501 Y618 I622 A657 F664 L665 P669	F501-L661 HydrophobicContact CD2-CD1 3.94Å; F501-L661 HydrophobicContact CD2-CD2 4.45Å; F501-L661 HydrophobicContact CD2-CG 4.16Å; F501-L661 HydrophobicContact CE2-CD1 3.97Å; F501-L661 HydrophobicContact CE2-CD2 3.71Å; F501-L661 HydrophobicContact CE2-CG 3.67Å; Y618-L661 HydrophobicContact CD2-CD1 3.68Å; Y618-L661 HydrophobicContact CE2-CD1 4.08Å; I622-L661 HydrophobicContact CD1-CD2 3.65Å; I622-L661 HydrophobicContact CG1-CD2 4.24Å; A657-L661 WeakPolarHBondContact O-CB 3.23Å; A657-L661 WeakPolarHBondContact O-CG 3.49Å; A657-L661 PolarHBondContact O-N 3.22Å; L661-F664 PolarHBondContact O-N 2.99Å; L661-L665 VanDerWaalsContact O-CB 3.29Å; L661-L665 WeakPolarHBondContact O-CB 3.42Å; L661-L665 VanDerWaalsContact O-CG 3.3Å; L661-L665 WeakPolarHBondContact O-CG 3.43Å; L661-L665 PolarHBondContact O-N 2.75Å; L661-P669 HydrophobicContact CB-CG 4.44Å; L661-P669 HydrophobicContact CD1-CG 4.19Å
662	K	96.6	Very high	95.2	Very high	97 Å²	97	49.3 Å²	49.3	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-43.6	179.9	-176	-179.3	-171.1	150	0	112.7	A658 D659 F664 G666 R667 E668	A658-K662 VanDerWaalsContact O-CB 3.25Å; A658-K662 WeakPolarHBondContact O-CB 3.26Å; A658-K662 PolarHBondContact O-N 3.39Å; D659-K662 PolarHBondContact O-N 2.76Å; K662-F664 VanDerWaalsContact C-N 3.32Å; K662-G666 VanDerWaalsContact O-CA 3.28Å; K662-G666 WeakPolarHBondContact O-CA 3.49Å; K662-G666 PolarHBondContact O-N 2.98Å; K662-R667 PolarHBondContact O-N 3.25Å; K662-E668 WeakPolarHBondContact CD-OE1 3.36Å; K662-E668 VanDerWaalsContact CE-OE1 3.28Å; K662-E668 WeakPolarHBondContact CE-OE1 3.49Å; K662-E668 IonicContact NZ-OE1 2.78Å; K662-E668 PolarHBondContact NZ-OE1 3.22Å
663	D	97.6	Very high	95.2	Very high	78 Å²	78	49.4 Å²	49.4	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-38.7	176.3	179.6	19.1	0	0	0	111.3	K647 D659	K647-D663 PolarHBondContact NZ-O 2.72Å; K647-D663 IonicContact NZ-OD1 2.79Å; K647-D663 PolarHBondContact NZ-OD1 3.08Å; D659-D663 VanDerWaalsContact O-CB 3.3Å; D659-D663 WeakPolarHBondContact O-CB 3.47Å; D659-D663 PolarHBondContact O-N 2.89Å
664	F	97.6	Very high	95.1	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-53.3	174.2	-170.4	-100.6	0	0	0	111.2	I622 R626 F627 V640 D643 Y644 K647 I648 M660 L661 K662 G666	I622-F664 HydrophobicContact CG2-CD1 4.16Å; I622-F664 HydrophobicContact CG2-CE1 3.57Å; I622-F664 HydrophobicContact CG2-CZ 4.45Å; R626-F664 HydrophobicContact CB-CE1 3.79Å; R626-F664 HydrophobicContact CB-CZ 4.07Å; R626-F664 HydrophobicContact CG-CD1 4.06Å; R626-F664 HydrophobicContact CG-CE1 3.53Å; R626-F664 HydrophobicContact CG-CZ 4.15Å; R626-F664 VanDerWaalsContact NH1-CE1 3.31Å; R626-F664 VanDerWaalsContact NH1-CG 3.29Å; R626-F664 PolarHBondContact NH1-O 3Å; F627-F664 HydrophobicContact CE2-CZ 4.28Å; V640-F664 HydrophobicContact CG1-CZ 3.99Å; D643-F664 HydrophobicContact CB-CD2 4.4Å; D643-F664 HydrophobicContact CB-CE2 3.92Å; Y644-F664 VanDerWaalsContact CA-CE2 3.48Å; Y644-F664 HydrophobicContact CD2-CE1 4.47Å; Y644-F664 HydrophobicContact CD2-CE2 4.18Å; Y644-F664 AromaticContact CD2-CZ 3.99Å; Y644-F664 HydrophobicContact CD2-CZ 3.99Å; K647-F664 HydrophobicContact CB-CB 4.48Å; K647-F664 HydrophobicContact CB-CD2 4.21Å; K647-F664 HydrophobicContact CD-CD2 4.32Å; I648-F664 HydrophobicContact CD1-CB 3.69Å; I648-F664 HydrophobicContact CD1-CG 4.03Å; I648-F664 HydrophobicContact CG1-CB 4.05Å; I648-F664 HydrophobicContact CG1-CD1 4.43Å; I648-F664 HydrophobicContact CG1-CD2 3.93Å; I648-F664 HydrophobicContact CG1-CG 3.87Å; M660-F664 WeakPolarHBondContact O-CB 3.32Å; M660-F664 PolarHBondContact O-N 2.86Å; L661-F664 PolarHBondContact O-N 2.99Å; K662-F664 VanDerWaalsContact C-N 3.32Å; F664-G666 VanDerWaalsContact C-N 3.33Å; F664-G666 PolarHBondContact O-N 3.23Å
665	L	97.1	Very high	95	Very high	18 Å²	18	48.6 Å²	48.6	9%	0.094	27%	0.266	C	S	.	.	H	α-helix	trans	-75.1	-20.4	-174.6	-66.8	171.4	0	0	0	113.8	I622 S625 R626 L661 R667 P669	I622-L665 HydrophobicContact CG1-CD2 4.15Å; S625-L665 WeakPolarHBondContact OG-CD2 3Å; R626-L665 HydrophobicContact CG-CD2 4.16Å; L661-L665 VanDerWaalsContact O-CB 3.29Å; L661-L665 WeakPolarHBondContact O-CB 3.42Å; L661-L665 VanDerWaalsContact O-CG 3.3Å; L661-L665 WeakPolarHBondContact O-CG 3.43Å; L661-L665 PolarHBondContact O-N 2.75Å; L665-R667 HydrophobicContact CB-CG 4.14Å; L665-R667 WeakPolarHBondContact CB-O 3.48Å; L665-R667 PolarHBondContact O-N 3.41Å; L665-P669 HydrophobicContact CD1-CB 3.72Å
666	G	96.9	Very high	95	Very high	71 Å²	71	45.6 Å²	45.6	73%	0.732	25%	0.253	S	S	*	.	S	Bend	trans	71.7	7.8	-168.7	0	0	0	0	0	113.6	K662 F664	K662-G666 VanDerWaalsContact O-CA 3.28Å; K662-G666 WeakPolarHBondContact O-CA 3.49Å; K662-G666 PolarHBondContact O-N 2.98Å; F664-G666 VanDerWaalsContact C-N 3.33Å; F664-G666 PolarHBondContact O-N 3.23Å
667	R	96.9	Very high	94.9	Very high	88 Å²	88	44.4 Å²	44.4	33%	0.332	25%	0.247	S	C	.	.	S	Bend	trans	-161.2	170.2	-178.8	57.2	163.7	175.2	77	-2.2	110	D621 K662 L665 N670	D621-R667 IonicContact OD1-CZ 2.73Å; D621-R667 IonicContact OD1-NH1 3.3Å; D621-R667 PolarHBondContact OD1-NH1 2.84Å; D621-R667 IonicContact OD1-NH2 3.69Å; D621-R667 PolarHBondContact OD1-NH2 2.65Å; D621-R667 IonicContact OD2-CZ 3.44Å; D621-R667 IonicContact OD2-NH1 3.74Å; D621-R667 PolarHBondContact OD2-NH1 2.9Å; D621-R667 IonicContact OD2-NH2 2.81Å; K662-R667 PolarHBondContact O-N 3.25Å; L665-R667 HydrophobicContact CB-CG 4.14Å; L665-R667 WeakPolarHBondContact CB-O 3.48Å; L665-R667 PolarHBondContact O-N 3.41Å; R667-N670 PolarHBondContact NH1-ND2 2.89Å
668	E	95	Very high	94.8	Very high	102 Å²	102	44.6 Å²	44.6	48%	0.477	25%	0.247	S	C	.	.			trans	-62.4	143.4	169.9	-58.1	-58.1	148.2	0	0	111.1	K662	K662-E668 WeakPolarHBondContact CD-OE1 3.36Å; K662-E668 VanDerWaalsContact CE-OE1 3.28Å; K662-E668 WeakPolarHBondContact CE-OE1 3.49Å; K662-E668 IonicContact NZ-OE1 2.78Å; K662-E668 PolarHBondContact NZ-OE1 3.22Å
669	P	93.5	Very high	94.7	Very high	20 Å²	20	49.2 Å²	49.2	13%	0.13	26%	0.256	C	S	.	.			trans	-68.6	150	173.3	30.8	-36.2	0	0	0	111.2	Y618 D621 L661 L665	Y618-P669 HydrophobicContact CD1-CB 3.7Å; Y618-P669 HydrophobicContact CD1-CG 4.25Å; Y618-P669 HydrophobicContact CD2-CB 4.24Å; Y618-P669 HydrophobicContact CD2-CG 4.19Å; Y618-P669 HydrophobicContact CE1-CB 3.8Å; Y618-P669 HydrophobicContact CE1-CG 3.95Å; Y618-P669 HydrophobicContact CE2-CB 4.3Å; Y618-P669 HydrophobicContact CE2-CG 3.84Å; Y618-P669 HydrophobicContact CG-CB 3.94Å; Y618-P669 HydrophobicContact CG-CG 4.38Å; D621-P669 WeakPolarHBondContact OD2-CA 3.41Å; L661-P669 HydrophobicContact CB-CG 4.44Å; L661-P669 HydrophobicContact CD1-CG 4.19Å; L665-P669 HydrophobicContact CD1-CB 3.72Å
670	N	92.9	Very high	94.2	Very high	47 Å²	47	47.4 Å²	47.4	25%	0.251	25%	0.247	S	C	.	.			trans	-143.3	178.7	177.3	66.8	76.6	0	0	0	112.9	D621 R667 N672	D621-N670 PolarHBondContact OD2-N 2.7Å; R667-N670 PolarHBondContact NH1-ND2 2.89Å; N670-N672 VanDerWaalsContact OD1-CB 3.27Å; N670-N672 WeakPolarHBondContact OD1-CB 3.36Å; N670-N672 PolarHBondContact OD1-N 3.35Å; N670-N672 VanDerWaalsContact OD1-N 3.09Å; N670-N672 PolarHBondContact OD1-ND2 2.9Å
671	D	92.5	Very high	93.5	Very high	55 Å²	55	50.7 Å²	50.7	29%	0.294	26%	0.263	S	S	.	.	S	Bend	trans	-100.5	1.1	-172.4	67	-1.8	0	0	0	115	K283 V617 A673 F674 F675	K283-D671 IonicContact NZ-OD2 2.86Å; K283-D671 PolarHBondContact NZ-OD2 3.18Å; V617-D671 VanDerWaalsContact CG1-CA 3.49Å; V617-D671 HydrophobicContact CG1-CB 3.47Å; V617-D671 VanDerWaalsContact CG1-CB 3.47Å; D671-A673 PolarHBondContact O-N 3.27Å; D671-F674 WeakPolarHBondContact O-CB 3.3Å; D671-F674 PolarHBondContact O-N 2.76Å; D671-F675 HydrophobicContact CB-CD2 3.99Å; D671-F675 HydrophobicContact CB-CE2 3.74Å; D671-F675 WeakPolarHBondContact O-CD2 3.33Å; D671-F675 PolarHBondContact O-N 3.39Å; D671-F675 VanDerWaalsContact O-N 3.16Å; D671-F675 WeakPolarHBondContact OD2-CE2 3.3Å
672	N	94.3	Very high	91.9	Very high	89 Å²	89	61.1 Å²	61.1	48%	0.476	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-46.5	-173.7	-68.9	-47	0	0	0	111.9	N670 F674 F675 K676 I681	N670-N672 VanDerWaalsContact OD1-CB 3.27Å; N670-N672 WeakPolarHBondContact OD1-CB 3.36Å; N670-N672 PolarHBondContact OD1-N 3.35Å; N670-N672 VanDerWaalsContact OD1-N 3.09Å; N670-N672 PolarHBondContact OD1-ND2 2.9Å; N672-F674 PolarHBondContact O-N 3.2Å; N672-F675 PolarHBondContact O-N 3.25Å; N672-K676 VanDerWaalsContact O-CB 3.27Å; N672-K676 WeakPolarHBondContact O-CB 3.36Å; N672-K676 PolarHBondContact O-N 3.01Å; N672-I681 HydrophobicContact CB-CD1 4.07Å; N672-I681 VanDerWaalsContact O-CD1 3.26Å; N672-I681 WeakPolarHBondContact O-CD1 3.48Å
673	A	94.9	Very high	89.9	Confident	2 Å²	2	63.2 Å²	63.2	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-56.4	-41.9	-179.5	0	0	0	0	0	111.9	I620 D621 E624 D671 K676 L677	I620-A673 HydrophobicContact CB-CB 4.47Å; I620-A673 HydrophobicContact CG2-CB 3.78Å; D621-A673 HydrophobicContact CB-CB 4.24Å; E624-A673 HydrophobicContact CB-CB 4.08Å; E624-A673 WeakPolarHBondContact OE2-CA 3.16Å; E624-A673 WeakPolarHBondContact OE2-CB 3.3Å; D671-A673 PolarHBondContact O-N 3.27Å; A673-K676 PolarHBondContact O-N 3.45Å; A673-L677 WeakPolarHBondContact O-CB 3.3Å; A673-L677 PolarHBondContact O-N 3.44Å
674	F	95.2	Very high	87.2	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-48.9	177.5	-179.7	-97	0	0	0	112	L280 Y550 R616 V617 I620 D671 N672 K676 L677 L678	L280-F674 HydrophobicContact CD1-CD1 4.42Å; L280-F674 HydrophobicContact CD1-CE1 3.75Å; Y550-F674 HydrophobicContact CD1-CZ 4.28Å; Y550-F674 HydrophobicContact CD2-CE2 4.44Å; Y550-F674 AromaticContact CD2-CZ 3.87Å; Y550-F674 HydrophobicContact CD2-CZ 3.87Å; Y550-F674 AromaticContact CE1-CE2 3.99Å; Y550-F674 HydrophobicContact CE1-CE2 3.99Å; Y550-F674 HydrophobicContact CE1-CZ 4.13Å; Y550-F674 AromaticContact CE2-CE2 3.86Å; Y550-F674 HydrophobicContact CE2-CE2 3.86Å; Y550-F674 AromaticContact CE2-CZ 3.73Å; Y550-F674 HydrophobicContact CE2-CZ 3.73Å; Y550-F674 HydrophobicContact CG-CZ 4.16Å; Y550-F674 AromaticContact CZ-CE2 3.6Å; Y550-F674 AromaticContact CZ-CZ 3.86Å; R616-F674 HydrophobicContact CG-CD2 4.24Å; R616-F674 HydrophobicContact CG-CE2 3.89Å; V617-F674 HydrophobicContact CG1-CB 4.4Å; V617-F674 HydrophobicContact CG2-CB 4.46Å; V617-F674 HydrophobicContact CG2-CD1 4.24Å; V617-F674 HydrophobicContact CG2-CD2 4.41Å; V617-F674 HydrophobicContact CG2-CG 4.11Å; I620-F674 HydrophobicContact CG1-CD2 4.28Å; D671-F674 WeakPolarHBondContact O-CB 3.3Å; D671-F674 PolarHBondContact O-N 2.76Å; N672-F674 PolarHBondContact O-N 3.2Å; F674-K676 VanDerWaalsContact C-N 3.31Å; F674-K676 PolarHBondContact O-N 3.38Å; F674-L677 WeakPolarHBondContact O-CB 3.47Å; F674-L677 PolarHBondContact O-N 3.23Å; F674-L678 HydrophobicContact CD1-CD1 4.18Å; F674-L678 HydrophobicContact CE1-CD1 3.5Å; F674-L678 VanDerWaalsContact CE1-CD1 3.5Å; F674-L678 HydrophobicContact CE1-CG 4.49Å; F674-L678 HydrophobicContact CE2-CD1 4.34Å; F674-L678 HydrophobicContact CZ-CD1 3.6Å; F674-L678 WeakPolarHBondContact O-CG 3.38Å; F674-L678 PolarHBondContact O-N 2.93Å; F674-L678 VanDerWaalsContact O-N 3.17Å
675	F	93.8	Very high	86.7	Confident	9 Å²	9	73.4 Å²	73.4	4%	0.039	37%	0.366	C	S	.	.	H	α-helix	trans	-69	-30	178.7	-71.5	-62.2	0	0	0	113.2	L280 K283 D671 N672 L678 K679 L680 I681	L280-F675 HydrophobicContact CD1-CE1 3.98Å; L280-F675 HydrophobicContact CD1-CZ 3.61Å; K283-F675 HydrophobicContact CB-CD1 4.43Å; K283-F675 HydrophobicContact CB-CE1 3.62Å; K283-F675 HydrophobicContact CB-CZ 4.06Å; K283-F675 HydrophobicContact CD-CD1 4.21Å; K283-F675 HydrophobicContact CD-CD2 4.32Å; K283-F675 HydrophobicContact CD-CE1 3.49Å; K283-F675 VanDerWaalsContact CD-CE1 3.49Å; K283-F675 HydrophobicContact CD-CE2 3.62Å; K283-F675 HydrophobicContact CD-CZ 3.16Å; K283-F675 HydrophobicContact CG-CE1 4.19Å; K283-F675 HydrophobicContact CG-CZ 4.25Å; K283-F675 VanDerWaalsContact NZ-CE2 3.34Å; D671-F675 HydrophobicContact CB-CD2 3.99Å; D671-F675 HydrophobicContact CB-CE2 3.74Å; D671-F675 WeakPolarHBondContact O-CD2 3.33Å; D671-F675 PolarHBondContact O-N 3.39Å; D671-F675 VanDerWaalsContact O-N 3.16Å; D671-F675 WeakPolarHBondContact OD2-CE2 3.3Å; N672-F675 PolarHBondContact O-N 3.25Å; F675-L678 CarbonylContact O-C 3.3Å; F675-L678 PolarHBondContact O-N 2.76Å; F675-K679 PolarHBondContact O-N 2.62Å; F675-L680 HydrophobicContact CB-CB 4.29Å; F675-L680 HydrophobicContact CD1-CB 4.19Å; F675-L680 HydrophobicContact CD1-CD1 3.68Å; F675-L680 HydrophobicContact CE1-CD1 4.14Å; F675-L680 PolarHBondContact O-N 3.41Å; F675-I681 HydrophobicContact CB-CD1 4.08Å; F675-I681 HydrophobicContact CB-CG1 3.99Å; F675-I681 HydrophobicContact CB-CG2 4.22Å; F675-I681 PolarHBondContact O-N 2.85Å
676	K	92.9	Very high	86.1	Confident	45 Å²	45	76.3 Å²	76.3	20%	0.196	38%	0.381	C	S	.	.	H	α-helix	trans	-67.4	-44.9	174.2	-177	178.4	172.7	-175.2	0	111	E624 N672 A673 F674 L678 K679 I681 H683	E624-K676 WeakPolarHBondContact OE1-CD 3.36Å; E624-K676 WeakPolarHBondContact OE1-CE 3.33Å; E624-K676 IonicContact OE1-NZ 3.99Å; E624-K676 PolarHBondContact OE1-NZ 3.35Å; N672-K676 VanDerWaalsContact O-CB 3.27Å; N672-K676 WeakPolarHBondContact O-CB 3.36Å; N672-K676 PolarHBondContact O-N 3.01Å; A673-K676 PolarHBondContact O-N 3.45Å; F674-K676 VanDerWaalsContact C-N 3.31Å; F674-K676 PolarHBondContact O-N 3.38Å; K676-L678 PolarHBondContact O-N 2.97Å; K676-K679 WeakPolarHBondContact O-CA 3.45Å; K676-K679 PolarHBondContact O-N 3.31Å; K676-I681 HydrophobicContact CB-CD1 4.15Å; K676-I681 HydrophobicContact CB-CG1 3.89Å; K676-H683 WeakPolarHBondContact CE-CE1 3.49Å; K676-H683 WeakPolarHBondContact CE-ND1 3.13Å
677	L	92.3	Very high	85.5	Confident	42 Å²	42	76.6 Å²	76.6	22%	0.22	36%	0.361	C	S	.	.	H	α-helix	trans	-54.7	-41.6	172.9	174.7	64	0	0	0	111.4	I543 I620 A673 F674 K679	I543-L677 WeakPolarHBondContact CG2-O 3.43Å; I620-L677 HydrophobicContact CD1-CD2 3.98Å; I620-L677 HydrophobicContact CG1-CD2 4.29Å; I620-L677 HydrophobicContact CG2-CB 4.49Å; I620-L677 HydrophobicContact CG2-CD2 4.31Å; A673-L677 WeakPolarHBondContact O-CB 3.3Å; A673-L677 PolarHBondContact O-N 3.44Å; F674-L677 WeakPolarHBondContact O-CB 3.47Å; F674-L677 PolarHBondContact O-N 3.23Å; L677-K679 PolarHBondContact O-N 3.4Å
678	L	92.3	Very high	84.9	Confident	11 Å²	11	75.9 Å²	75.9	6%	0.058	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	5.3	177.8	-60	-175.2	0	0	0	114.6	L284 I287 A546 Y550 F674 F675 K676 L680	L284-L678 HydrophobicContact CD2-CD1 3.53Å; I287-L678 HydrophobicContact CD1-CB 4.3Å; I287-L678 WeakPolarHBondContact CD1-O 3.43Å; A546-L678 HydrophobicContact CB-CD2 3.67Å; Y550-L678 HydrophobicContact CD2-CD1 4.1Å; Y550-L678 HydrophobicContact CE2-CD1 4.11Å; Y550-L678 HydrophobicContact CE2-CD2 3.98Å; F674-L678 HydrophobicContact CD1-CD1 4.18Å; F674-L678 HydrophobicContact CE1-CD1 3.5Å; F674-L678 VanDerWaalsContact CE1-CD1 3.5Å; F674-L678 HydrophobicContact CE1-CG 4.49Å; F674-L678 HydrophobicContact CE2-CD1 4.34Å; F674-L678 HydrophobicContact CZ-CD1 3.6Å; F674-L678 WeakPolarHBondContact O-CG 3.38Å; F674-L678 PolarHBondContact O-N 2.93Å; F674-L678 VanDerWaalsContact O-N 3.17Å; F675-L678 CarbonylContact O-C 3.3Å; F675-L678 PolarHBondContact O-N 2.76Å; K676-L678 PolarHBondContact O-N 2.97Å; L678-L680 HydrophobicContact CB-CD1 4.19Å; L678-L680 HydrophobicContact CB-CG 4.24Å; L678-L680 PolarHBondContact O-N 3.33Å
679	K	88.8	Confident	84.2	Confident	153 Å²	153	74.3 Å²	74.3	67%	0.665	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	29.3	-178.8	-54.8	178	178.7	174.3	0	113.1	I543 F675 K676 L677	I543-K679 HydrophobicContact CD1-CD 3.99Å; F675-K679 PolarHBondContact O-N 2.62Å; K676-K679 WeakPolarHBondContact O-CA 3.45Å; K676-K679 PolarHBondContact O-N 3.31Å; L677-K679 PolarHBondContact O-N 3.4Å
680	L	85.2	Confident	83.6	Confident	58 Å²	58	77.9 Å²	77.9	30%	0.304	37%	0.371	S	S	.	.	S	Bend	trans	-89.1	-23.7	176.1	-74	174.5	0	0	0	112.6	K283 L284 I287 F675 L678	K283-L680 WeakPolarHBondContact O-CD1 3.19Å; L284-L680 HydrophobicContact CD2-CD1 4.29Å; I287-L680 HydrophobicContact CD1-CD1 3.79Å; I287-L680 HydrophobicContact CD1-CD2 3.52Å; I287-L680 HydrophobicContact CD1-CG 3.55Å; I287-L680 HydrophobicContact CG1-CD2 3.86Å; I287-L680 HydrophobicContact CG1-CG 4.42Å; F675-L680 HydrophobicContact CB-CB 4.29Å; F675-L680 HydrophobicContact CD1-CB 4.19Å; F675-L680 HydrophobicContact CD1-CD1 3.68Å; F675-L680 HydrophobicContact CE1-CD1 4.14Å; F675-L680 PolarHBondContact O-N 3.41Å; L678-L680 HydrophobicContact CB-CD1 4.19Å; L678-L680 HydrophobicContact CB-CG 4.24Å; L678-L680 PolarHBondContact O-N 3.33Å
681	I	81.9	Confident	82.9	Confident	70 Å²	70	80.1 Å²	80.1	36%	0.359	38%	0.379	S	S	.	.	S	Bend	trans	-122.3	152.5	168.6	62.4	175.4	0	0	0	109.5	N672 F675 K676	N672-I681 HydrophobicContact CB-CD1 4.07Å; N672-I681 VanDerWaalsContact O-CD1 3.26Å; N672-I681 WeakPolarHBondContact O-CD1 3.48Å; F675-I681 HydrophobicContact CB-CD1 4.08Å; F675-I681 HydrophobicContact CB-CG1 3.99Å; F675-I681 HydrophobicContact CB-CG2 4.22Å; F675-I681 PolarHBondContact O-N 2.85Å; K676-I681 HydrophobicContact CB-CD1 4.15Å; K676-I681 HydrophobicContact CB-CG1 3.89Å
682	R	62.6	Low	82.2	Confident	225 Å²	225	82 Å²	82	85%	0.849	39%	0.386	S	S	*	.			trans	-71.7	149.8	179.6	-69.9	-174.6	177.8	-178.5	-0.2	110.7	N684	R682-N684 PolarHBondContact O-N 2.91Å
683	H	53.5	Low	81.2	Confident	140 Å²	140	81.4 Å²	81.4	65%	0.648	38%	0.378	S	S	*	.			trans	-63.5	111.9	158	-75.1	-111.2	0	0	0	106.6	K676	K676-H683 WeakPolarHBondContact CE-CE1 3.49Å; K676-H683 WeakPolarHBondContact CE-ND1 3.13Å
684	N	40.9	Very low	79.9	Confident	222 Å²	222	88.6 Å²	88.6	100%	1.187	41%	0.411	S	S	*	.			trans	-72.8	0	163.5	-78.2	-13.1	0	0	0	110	R682	R682-N684 PolarHBondContact O-N 2.91Å

Retrieved 684 of 684 residues in 1047.7 ms (Link to these results)

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