A0A096N730_PAPAN Loading...

Tripartite motif-containing protein 5

E3 ubiquitin ligase involved in different processes such as development and immune response. Serves as a negative regulator for innate immune signaling pathways by suppressing RLR-induced activation of IRF3/7 and NF-kappa-B via interaction with adapter ECSIT. Regulates autophagy through modulating both the transcription and the ubiquitination of BECN1. On the one hand, regulates the transcription of BECN1 through negatively modulating the NF-kappa-B pathway. On the other hand, regulates TRAF6-mediated 'Lys-63'-linked ubiquitination of BECN1, thus affecting the formation of the BECN1-PIK3C3 complex. In addition, mediates 'Lys-48'-linked ubiquitination of TRAF6 and thereby promotes TRAF6 proteasomal degradation. Also acts as a critical regulator for early embryo development from blastocyst stage to gastrula through modulating F-actin assembly and WASH1 'Lys-63'-linked ubiquitination.

AlphaFold DB (H9Z7Z8), UniProt , Accession A0A096N730, Species PAPAN (Papio anubis, Olive baboon), Gene TRIM59, Length 403 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	38.8	Very low	69.1	Low	236 Å²	236	96 Å²	96	100%	1.163	47%	0.469	S	S	*	.				0	127.3	0	-74.8	155.5	86.4	0	0	105.9	N3	M1-N3 PolarHBondContact O-N 3.28Å
2	H	42.6	Very low	70.5	Confident	167 Å²	167	92.7 Å²	92.7	77%	0.773	45%	0.453	S	S	*	.			trans	-58.8	133.4	178.7	-70.3	-78	0	0	0	109	F4	H2-F4 VanDerWaalsContact O-CD2 3.32Å; H2-F4 WeakPolarHBondContact O-CD2 3.3Å; H2-F4 PolarHBondContact O-N 3.29Å
3	N	55.8	Low	71.4	Confident	92 Å²	92	88.3 Å²	88.3	49%	0.492	44%	0.437	S	S	.	.			trans	-73.4	97.8	178.9	-170.2	6.2	0	0	0	108.5	M1 E5	M1-N3 PolarHBondContact O-N 3.28Å; N3-E5 PolarHBondContact O-N 2.93Å; N3-E5 VanDerWaalsContact OD1-CB 3.23Å; N3-E5 WeakPolarHBondContact OD1-CB 3.39Å; N3-E5 PolarHBondContact OD1-N 3.42Å
4	F	64.2	Low	72	Confident	124 Å²	124	93.1 Å²	93.1	54%	0.544	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-6.9	180	-69.3	-77.5	0	0	0	113.1	H2 E6 E7 L8	H2-F4 VanDerWaalsContact O-CD2 3.32Å; H2-F4 WeakPolarHBondContact O-CD2 3.3Å; H2-F4 PolarHBondContact O-N 3.29Å; F4-E6 PolarHBondContact O-N 3.49Å; F4-E7 WeakPolarHBondContact O-CB 3.3Å; F4-E7 PolarHBondContact O-N 2.85Å; F4-L8 WeakPolarHBondContact O-CG 3.33Å; F4-L8 PolarHBondContact O-N 3.34Å
5	E	67.4	Low	72.6	Confident	55 Å²	55	87.6 Å²	87.6	26%	0.257	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-40.8	-177.7	-167.8	178.3	-173.9	0	0	112.4	N3 E7 L8 T9	N3-E5 PolarHBondContact O-N 2.93Å; N3-E5 VanDerWaalsContact OD1-CB 3.23Å; N3-E5 WeakPolarHBondContact OD1-CB 3.39Å; N3-E5 PolarHBondContact OD1-N 3.42Å; E5-E7 PolarHBondContact O-N 3.42Å; E5-L8 CarbonylContact O-C 3.51Å; E5-L8 WeakPolarHBondContact O-CA 3.39Å; E5-L8 PolarHBondContact O-N 3.07Å; E5-T9 VanDerWaalsContact O-CG2 3.25Å; E5-T9 WeakPolarHBondContact O-CG2 3.28Å; E5-T9 PolarHBondContact O-N 2.75Å
6	E	67.4	Low	73.4	Confident	147 Å²	147	84.1 Å²	84.1	69%	0.687	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-58.6	-36.8	176.7	-69.9	-179.6	-170.7	0	0	111.6	F4 L8 T9	F4-E6 PolarHBondContact O-N 3.49Å; E6-L8 VanDerWaalsContact C-N 3.27Å; E6-L8 PolarHBondContact O-N 3.36Å; E6-T9 PolarHBondContact O-N 2.91Å; E6-T9 PolarHBondContact O-OG1 3.5Å
7	E	78.6	Confident	74.3	Confident	141 Å²	141	80.2 Å²	80.2	66%	0.659	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-73.7	-17.8	178.4	-58.9	-177.9	-179.3	0	0	113	F4 E5	F4-E7 WeakPolarHBondContact O-CB 3.3Å; F4-E7 PolarHBondContact O-N 2.85Å; E5-E7 PolarHBondContact O-N 3.42Å
8	L	85.3	Confident	75	Confident	14 Å²	14	83.5 Å²	83.5	7%	0.073	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-99.8	2.2	177.2	-59.5	-179.6	0	0	0	113.2	F4 E5 E6 I16 F17 L79 I82 I83 Y86	F4-L8 WeakPolarHBondContact O-CG 3.33Å; F4-L8 PolarHBondContact O-N 3.34Å; E5-L8 CarbonylContact O-C 3.51Å; E5-L8 WeakPolarHBondContact O-CA 3.39Å; E5-L8 PolarHBondContact O-N 3.07Å; E6-L8 VanDerWaalsContact C-N 3.27Å; E6-L8 PolarHBondContact O-N 3.36Å; L8-I16 WeakPolarHBondContact O-CA 3.45Å; L8-F17 WeakPolarHBondContact O-CD2 3.38Å; L8-F17 PolarHBondContact O-N 3.33Å; L8-L79 HydrophobicContact CD2-CD1 3.58Å; L8-I82 HydrophobicContact CD1-CG2 4.32Å; L8-I82 HydrophobicContact CD2-CG2 3.81Å; L8-I83 HydrophobicContact CD2-CG1 4.32Å; L8-Y86 HydrophobicContact CD1-CD1 4.27Å; L8-Y86 HydrophobicContact CD1-CD2 4.15Å; L8-Y86 HydrophobicContact CD1-CG 3.96Å
9	T	85.6	Confident	75.8	Confident	35 Å²	35	81.6 Å²	81.6	22%	0.215	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-94.6	141.6	179.6	60.4	0	0	0	0	112.7	E5 E6 S15 F17	E5-T9 VanDerWaalsContact O-CG2 3.25Å; E5-T9 WeakPolarHBondContact O-CG2 3.28Å; E5-T9 PolarHBondContact O-N 2.75Å; E6-T9 PolarHBondContact O-N 2.91Å; E6-T9 PolarHBondContact O-OG1 3.5Å; T9-S15 CarbonylContact C-O 3.54Å; T9-S15 WeakPolarHBondContact CA-O 3.45Å; T9-F17 VanDerWaalsContact C-CE2 3.48Å; T9-F17 WeakPolarHBondContact O-CE2 3.21Å; T9-F17 VanDerWaalsContact O-CZ 3.32Å; T9-F17 WeakPolarHBondContact O-CZ 3.33Å
10	C	89.3	Confident	76.7	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.376	C	S	.	.			trans	-74.4	129.6	172.8	-178.8	0	0	0	0	110.3	I12 Y14 S15 F17 C30	C10-I12 PolarHBondContact O-N 2.9Å; C10-Y14 WeakPolarHBondContact O-CA 3.38Å; C10-Y14 PolarHBondContact O-N 3.4Å; C10-S15 PolarHBondContact N-O 3.4Å; C10-F17 VanDerWaalsContact CA-CE1 3.46Å; C10-F17 HydrophobicContact CB-CD1 3.59Å; C10-F17 HydrophobicContact CB-CE1 3.59Å; C10-F17 HydrophobicContact CB-CG 4.23Å; C10-F17 HydrophobicContact CB-CZ 4.23Å; C10-C30 WeakPolarHBondContact CB-SG 3.32Å
11	P	85.2	Confident	77.5	Confident	45 Å²	45	74.9 Å²	74.9	29%	0.292	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-1.8	-177.9	30.9	-39.6	0	0	0	114.4	F29	P11-F29 HydrophobicContact CG-CD1 3.81Å; P11-F29 HydrophobicContact CG-CE1 3.5Å
12	I	85.7	Confident	80.1	Confident	56 Å²	56	65.2 Å²	65.2	29%	0.287	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-55.6	178.8	-61.8	164.7	0	0	0	110.6	C10 F29 C33 I37 P57	C10-I12 PolarHBondContact O-N 2.9Å; I12-F29 HydrophobicContact CD1-CB 4.15Å; I12-F29 HydrophobicContact CD1-CD1 3.31Å; I12-F29 HydrophobicContact CD1-CE1 3.96Å; I12-F29 HydrophobicContact CD1-CG 3.96Å; I12-F29 HydrophobicContact CG1-CD1 3.82Å; I12-F29 HydrophobicContact CG1-CE1 4.18Å; I12-C33 HydrophobicContact CB-CB 3.99Å; I12-C33 HydrophobicContact CD1-CB 3.63Å; I12-C33 HydrophobicContact CG1-CB 4.44Å; I12-C33 HydrophobicContact CG2-CB 3.91Å; I12-I37 HydrophobicContact CD1-CD1 3.45Å; I12-I37 VanDerWaalsContact CD1-CD1 3.45Å; I12-I37 HydrophobicContact CG1-CD1 4.36Å; I12-P57 HydrophobicContact CD1-CG 4.21Å
13	C	82.2	Confident	82.4	Confident	36 Å²	36	57.4 Å²	57.4	24%	0.243	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.9	-179.1	63.4	0	0	0	0	113.4	S15	C13-S15 PolarHBondContact O-N 3.45Å; C13-S15 PolarHBondContact O-OG 3.24Å; C13-S15 VanDerWaalsContact O-OG 3.14Å
14	Y	80.1	Confident	84	Confident	155 Å²	155	57.7 Å²	57.7	61%	0.608	29%	0.287	S	S	*	.			trans	51.9	25.3	-176	-60.1	-86.1	0	0	0	113.3	C10 N106	C10-Y14 WeakPolarHBondContact O-CA 3.38Å; C10-Y14 PolarHBondContact O-N 3.4Å; Y14-N106 PolarHBondContact O-ND2 2.89Å
15	S	80.8	Confident	85.3	Confident	11 Å²	11	53.1 Å²	53.1	8%	0.077	27%	0.27	C	S	.	.	S	Bend	trans	-113.8	159.5	178	-55.2	0	0	0	0	109.5	T9 C10 C13 F17	T9-S15 CarbonylContact C-O 3.54Å; T9-S15 WeakPolarHBondContact CA-O 3.45Å; C10-S15 PolarHBondContact N-O 3.4Å; C13-S15 PolarHBondContact O-N 3.45Å; C13-S15 PolarHBondContact O-OG 3.24Å; C13-S15 VanDerWaalsContact O-OG 3.14Å; S15-F17 PolarHBondContact O-N 3.46Å
16	I	85.1	Confident	86.4	Confident	31 Å²	31	55.2 Å²	55.2	16%	0.159	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-51.2	136.8	173.5	-61.9	174.2	0	0	0	109.5	L8 E18 I83 Y86	L8-I16 WeakPolarHBondContact O-CA 3.45Å; I16-E18 PolarHBondContact O-N 2.76Å; I16-I83 HydrophobicContact CG2-CB 4.45Å; I16-I83 HydrophobicContact CG2-CD1 4.08Å; I16-I83 HydrophobicContact CG2-CG1 3.99Å; I16-I83 HydrophobicContact CG2-CG2 3.64Å; I16-Y86 HydrophobicContact CD1-CD1 4.23Å; I16-Y86 HydrophobicContact CD1-CE1 3.84Å
17	F	89.1	Confident	87.6	Confident	18 Å²	18	51.1 Å²	51.1	8%	0.079	27%	0.272	C	S	.	.			trans	-56.5	125.8	-174.7	-70.4	-85.8	0	0	0	112.6	L8 T9 C10 S15 P20 T28 L79 I83	L8-F17 WeakPolarHBondContact O-CD2 3.38Å; L8-F17 PolarHBondContact O-N 3.33Å; T9-F17 VanDerWaalsContact C-CE2 3.48Å; T9-F17 WeakPolarHBondContact O-CE2 3.21Å; T9-F17 VanDerWaalsContact O-CZ 3.32Å; T9-F17 WeakPolarHBondContact O-CZ 3.33Å; C10-F17 VanDerWaalsContact CA-CE1 3.46Å; C10-F17 HydrophobicContact CB-CD1 3.59Å; C10-F17 HydrophobicContact CB-CE1 3.59Å; C10-F17 HydrophobicContact CB-CG 4.23Å; C10-F17 HydrophobicContact CB-CZ 4.23Å; S15-F17 PolarHBondContact O-N 3.46Å; F17-P20 HydrophobicContact CB-CB 3.92Å; F17-P20 HydrophobicContact CB-CG 4.38Å; F17-P20 HydrophobicContact CD1-CB 4.3Å; F17-P20 HydrophobicContact CG-CB 4.25Å; F17-T28 HydrophobicContact CD1-CG2 4.31Å; F17-T28 HydrophobicContact CE1-CG2 4.13Å; F17-T28 VanDerWaalsContact CE1-O 3.24Å; F17-T28 WeakPolarHBondContact CE1-O 3.41Å; F17-L79 HydrophobicContact CD2-CD2 3.6Å; F17-L79 HydrophobicContact CD2-CG 4.33Å; F17-L79 HydrophobicContact CE2-CD2 3.86Å; F17-L79 HydrophobicContact CG-CD2 4.03Å; F17-L79 HydrophobicContact CZ-CD2 4.48Å; F17-I83 HydrophobicContact CB-CD1 3.65Å; F17-I83 HydrophobicContact CD2-CD1 4.4Å
18	E	86.3	Confident	88.4	Confident	140 Å²	140	45.4 Å²	45.4	65%	0.654	25%	0.247	S	C	*	.	S	Bend	trans	-107.9	119	171.3	-170.9	176.1	-164.1	0	0	108.8	I16 C30	I16-E18 PolarHBondContact O-N 2.76Å; E18-C30 PolarHBondContact N-SG 2.88Å; E18-C30 VanDerWaalsContact O-CA 3.29Å; E18-C30 WeakPolarHBondContact O-CA 3.39Å; E18-C30 VanDerWaalsContact O-CB 3.22Å; E18-C30 WeakPolarHBondContact O-CB 3.39Å
19	D	90	Very high	88.7	Confident	47 Å²	47	44.8 Å²	44.8	25%	0.251	24%	0.243	S	C	.	.	S	Bend	trans	48.2	69	-171.2	-170.9	10.5	0	0	0	112.7	R21 R31	D19-R21 PolarHBondContact O-N 3.05Å; D19-R21 IonicContact OD1-CZ 2.74Å; D19-R21 IonicContact OD1-NE 3.77Å; D19-R21 PolarHBondContact OD1-NE 3.4Å; D19-R21 IonicContact OD1-NH2 3.32Å; D19-R21 PolarHBondContact OD1-NH2 2.85Å; D19-R21 IonicContact OD2-CZ 3.63Å; D19-R21 IonicContact OD2-NE 2.92Å; D19-R21 PolarHBondContact OD2-NE 3.22Å; D19-R21 IonicContact OD2-NH2 2.79Å; D19-R21 PolarHBondContact OD2-NH2 3.08Å; D19-R31 HydrophobicContact CB-CB 3.98Å; D19-R31 PolarHBondContact O-N 2.91Å; D19-R31 WeakPolarHBondContact OD2-CB 3.24Å; D19-R31 WeakPolarHBondContact OD2-CD 3.44Å; D19-R31 IonicContact OD2-NE 2.62Å; D19-R31 PolarHBondContact OD2-NE 3.42Å
20	P	94.1	Very high	89.1	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	116.5	-175	24.1	-31.8	0	0	0	111.9	F17 T28 V75 N76 L79 R80	F17-P20 HydrophobicContact CB-CB 3.92Å; F17-P20 HydrophobicContact CB-CG 4.38Å; F17-P20 HydrophobicContact CD1-CB 4.3Å; F17-P20 HydrophobicContact CG-CB 4.25Å; P20-T28 HydrophobicContact CB-CG2 3.5Å; P20-V75 CarbonylContact O-C 3.56Å; P20-V75 WeakPolarHBondContact O-CA 3.23Å; P20-N76 HydrophobicContact CB-CB 4.12Å; P20-N76 HydrophobicContact CG-CB 4.27Å; P20-N76 PolarHBondContact O-N 3.3Å; P20-L79 HydrophobicContact CB-CD2 3.92Å; P20-L79 HydrophobicContact CG-CD2 4.42Å; P20-R80 HydrophobicContact CG-CB 4.19Å
21	R	93.6	Very high	89.3	Confident	21 Å²	21	46.6 Å²	46.6	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.8	176.6	-58.4	-58.4	176.5	132.7	7.3	111.3	D19 T28 F29 R31 L34 I70 E71 L73 P74	D19-R21 PolarHBondContact O-N 3.05Å; D19-R21 IonicContact OD1-CZ 2.74Å; D19-R21 IonicContact OD1-NE 3.77Å; D19-R21 PolarHBondContact OD1-NE 3.4Å; D19-R21 IonicContact OD1-NH2 3.32Å; D19-R21 PolarHBondContact OD1-NH2 2.85Å; D19-R21 IonicContact OD2-CZ 3.63Å; D19-R21 IonicContact OD2-NE 2.92Å; D19-R21 PolarHBondContact OD2-NE 3.22Å; D19-R21 IonicContact OD2-NH2 2.79Å; D19-R21 PolarHBondContact OD2-NH2 3.08Å; R21-T28 WeakPolarHBondContact O-CA 3.36Å; R21-F29 PolarHBondContact N-O 3.03Å; R21-F29 PolarHBondContact O-N 2.89Å; R21-F29 VanDerWaalsContact O-N 3.09Å; R21-R31 HydrophobicContact CG-CB 3.96Å; R21-R31 HydrophobicContact CG-CG 4.37Å; R21-L34 HydrophobicContact CB-CD1 3.79Å; R21-I70 HydrophobicContact CG-CG2 4.45Å; R21-E71 IonicContact CZ-OE2 2.81Å; R21-E71 PolarHBondContact NH1-O 3.45Å; R21-E71 IonicContact NH1-OE2 3.25Å; R21-E71 IonicContact NH2-OE2 3.46Å; R21-E71 PolarHBondContact NH2-OE2 3.33Å; R21-L73 HydrophobicContact CB-CB 4.15Å; R21-L73 PolarHBondContact NH1-O 2.99Å; R21-P74 WeakPolarHBondContact CA-O 3.48Å
22	V	93.3	Very high	89.4	Confident	34 Å²	34	48.3 Å²	48.3	21%	0.206	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123	-178.5	-169.9	0	0	0	0	109.8	P74 N76	V22-P74 PolarHBondContact N-O 3.24Å; V22-N76 HydrophobicContact CG2-CB 3.45Å; V22-N76 VanDerWaalsContact CG2-CB 3.45Å
23	L	91.4	Very high	89.6	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-77.5	155.7	169.9	-64.4	179.7	0	0	0	110.6	C25 S26 H27 F29 L34 L54 C56 I63 L73	L23-C25 PolarHBondContact O-N 3.17Å; L23-S26 WeakPolarHBondContact O-CA 3.5Å; L23-S26 PolarHBondContact O-N 3.27Å; L23-H27 PolarHBondContact N-O 2.91Å; L23-F29 HydrophobicContact CD1-CD2 4.05Å; L23-F29 HydrophobicContact CD1-CE2 3.83Å; L23-F29 HydrophobicContact CG-CD2 4.42Å; L23-L34 HydrophobicContact CD2-CD1 4.41Å; L23-L54 HydrophobicContact CD1-CD2 4.42Å; L23-L54 HydrophobicContact CD2-CD2 3.96Å; L23-C56 HydrophobicContact CD1-CB 3.88Å; L23-I63 HydrophobicContact CB-CG1 4.46Å; L23-L73 HydrophobicContact CD2-CD1 3.64Å; L23-L73 HydrophobicContact CD2-CD2 4.15Å
24	P	89	Confident	89.9	Confident	99 Å²	99	44.4 Å²	44.4	64%	0.643	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.9	175.6	-26	35.9	0	0	0	115	S26 I63	P24-S26 PolarHBondContact O-N 3.42Å; P24-I63 HydrophobicContact CB-CD1 4.15Å; P24-I63 VanDerWaalsContact CD-CG2 3.42Å; P24-I63 HydrophobicContact CG-CD1 4.29Å; P24-I63 HydrophobicContact CG-CG2 3.76Å
25	C	92	Very high	90.2	Very high	28 Å²	28	39 Å²	39	19%	0.189	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	16.5	169.4	63.7	0	0	0	0	113.8	L23 H27 C56 I63	L23-C25 PolarHBondContact O-N 3.17Å; C25-H27 PolarHBondContact O-N 2.66Å; C25-H27 VanDerWaalsContact O-N 3.08Å; C25-H27 PolarHBondContact O-ND1 2.97Å; C25-C56 VanDerWaalsContact SG-SG 3.66Å; C25-I63 HydrophobicContact CB-CD1 4.21Å
26	S	90.6	Very high	90.3	Very high	99 Å²	99	42.2 Å²	42.2	69%	0.692	23%	0.228	S	C	*	.	S	Bend	trans	62.5	7.2	178.5	-52.5	0	0	0	0	117.2	L23 P24	L23-S26 WeakPolarHBondContact O-CA 3.5Å; L23-S26 PolarHBondContact O-N 3.27Å; P24-S26 PolarHBondContact O-N 3.42Å
27	H	92.9	Very high	90.2	Very high	60 Å²	60	43 Å²	43	28%	0.278	23%	0.232	S	C	.	.			trans	-86.3	142.6	174.8	-71	91.5	0	0	0	110.8	L23 C25 F29 N58 C59	L23-H27 PolarHBondContact N-O 2.91Å; C25-H27 PolarHBondContact O-N 2.66Å; C25-H27 VanDerWaalsContact O-N 3.08Å; C25-H27 PolarHBondContact O-ND1 2.97Å; H27-F29 HydrophobicContact CB-CE2 3.69Å; H27-F29 HydrophobicContact CB-CZ 4.13Å; H27-N58 VanDerWaalsContact CD2-CB 3.45Å; H27-N58 WeakPolarHBondContact CD2-CB 3.44Å; H27-N58 PolarHBondContact CD2-ND2 3.21Å; H27-C59 VanDerWaalsContact CE1-SG 3.52Å; H27-C59 PolarHBondContact ND1-SG 3.05Å
28	T	94.1	Very high	89.8	Confident	22 Å²	22	44 Å²	44	14%	0.135	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.9	-174.4	-55	0	0	0	0	111	F17 P20 R21 N76 L79	F17-T28 HydrophobicContact CD1-CG2 4.31Å; F17-T28 HydrophobicContact CE1-CG2 4.13Å; F17-T28 VanDerWaalsContact CE1-O 3.24Å; F17-T28 WeakPolarHBondContact CE1-O 3.41Å; P20-T28 HydrophobicContact CB-CG2 3.5Å; R21-T28 WeakPolarHBondContact O-CA 3.36Å; T28-N76 HydrophobicContact CG2-CB 4.18Å; T28-N76 PolarHBondContact OG1-ND2 3.42Å; T28-L79 HydrophobicContact CG2-CD2 3.8Å
29	F	93.4	Very high	89.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.5	179.8	-58.1	-84.1	0	0	0	110.2	P11 I12 R21 L23 H27 L34 P57 N58	P11-F29 HydrophobicContact CG-CD1 3.81Å; P11-F29 HydrophobicContact CG-CE1 3.5Å; I12-F29 HydrophobicContact CD1-CB 4.15Å; I12-F29 HydrophobicContact CD1-CD1 3.31Å; I12-F29 HydrophobicContact CD1-CE1 3.96Å; I12-F29 HydrophobicContact CD1-CG 3.96Å; I12-F29 HydrophobicContact CG1-CD1 3.82Å; I12-F29 HydrophobicContact CG1-CE1 4.18Å; R21-F29 PolarHBondContact N-O 3.03Å; R21-F29 PolarHBondContact O-N 2.89Å; R21-F29 VanDerWaalsContact O-N 3.09Å; L23-F29 HydrophobicContact CD1-CD2 4.05Å; L23-F29 HydrophobicContact CD1-CE2 3.83Å; L23-F29 HydrophobicContact CG-CD2 4.42Å; H27-F29 HydrophobicContact CB-CE2 3.69Å; H27-F29 HydrophobicContact CB-CZ 4.13Å; F29-L34 HydrophobicContact CB-CD1 4.11Å; F29-L34 HydrophobicContact CB-CD2 3.7Å; F29-L34 HydrophobicContact CB-CG 3.69Å; F29-L34 HydrophobicContact CD2-CD2 3.82Å; F29-L34 HydrophobicContact CG-CD2 3.92Å; F29-L34 HydrophobicContact CG-CG 4.45Å; F29-P57 HydrophobicContact CE1-CB 3.99Å; F29-P57 HydrophobicContact CE1-CG 4Å; F29-P57 HydrophobicContact CZ-CB 4.06Å; F29-P57 HydrophobicContact CZ-CG 4.03Å; F29-N58 HydrophobicContact CZ-CB 4.24Å
30	C	93.8	Very high	88.3	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	142.1	171.3	-56.7	0	0	0	0	110	C10 E18 N32 C33 L34	C10-C30 WeakPolarHBondContact CB-SG 3.32Å; E18-C30 PolarHBondContact N-SG 2.88Å; E18-C30 VanDerWaalsContact O-CA 3.29Å; E18-C30 WeakPolarHBondContact O-CA 3.39Å; E18-C30 VanDerWaalsContact O-CB 3.22Å; E18-C30 WeakPolarHBondContact O-CB 3.39Å; C30-N32 VanDerWaalsContact C-N 3.28Å; C30-N32 PolarHBondContact O-N 3.47Å; C30-C33 HydrophobicContact CB-CB 4.06Å; C30-C33 WeakPolarHBondContact O-CB 3.06Å; C30-C33 PolarHBondContact O-N 2.93Å; C30-L34 PolarHBondContact O-N 3.48Å; C30-L34 VanDerWaalsContact O-N 3.09Å
31	R	92.5	Very high	86.9	Confident	69 Å²	69	49.2 Å²	49.2	26%	0.26	28%	0.283	S	S	.	.	H	α-helix	trans	-50.1	-50.3	176.4	-176.4	-174.5	63.7	92.6	19	111.9	D19 R21 C33 L34 E35 I70 E71	D19-R31 HydrophobicContact CB-CB 3.98Å; D19-R31 PolarHBondContact O-N 2.91Å; D19-R31 WeakPolarHBondContact OD2-CB 3.24Å; D19-R31 WeakPolarHBondContact OD2-CD 3.44Å; D19-R31 IonicContact OD2-NE 2.62Å; D19-R31 PolarHBondContact OD2-NE 3.42Å; R21-R31 HydrophobicContact CG-CB 3.96Å; R21-R31 HydrophobicContact CG-CG 4.37Å; R31-C33 VanDerWaalsContact C-N 3.28Å; R31-C33 PolarHBondContact O-N 3.42Å; R31-L34 PolarHBondContact O-N 2.88Å; R31-L34 VanDerWaalsContact O-N 3.13Å; R31-E35 IonicContact CZ-OE1 3.57Å; R31-E35 IonicContact CZ-OE2 2.94Å; R31-E35 IonicContact NH1-OE1 3.73Å; R31-E35 PolarHBondContact NH1-OE1 3.39Å; R31-E35 IonicContact NH1-OE2 2.7Å; R31-E35 PolarHBondContact NH1-OE2 3.26Å; R31-E35 IonicContact NH2-OE2 3.91Å; R31-E35 PolarHBondContact O-N 2.88Å; R31-I70 HydrophobicContact CG-CG2 3.88Å; R31-E71 WeakPolarHBondContact CD-OE1 3.48Å; R31-E71 IonicContact CZ-OE1 3.45Å; R31-E71 IonicContact NE-OE1 3.48Å; R31-E71 IonicContact NH1-OE1 3.96Å; R31-E71 PolarHBondContact NH1-OE1 2.91Å
32	N	87.4	Confident	85.1	Confident	80 Å²	80	50.9 Å²	50.9	43%	0.428	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-34.7	-178.6	-162.9	58.6	0	0	0	112.4	C30 E35 N36	C30-N32 VanDerWaalsContact C-N 3.28Å; C30-N32 PolarHBondContact O-N 3.47Å; N32-E35 PolarHBondContact O-N 3.25Å; N32-N36 WeakPolarHBondContact O-CB 3.36Å; N32-N36 PolarHBondContact O-N 2.94Å; N32-N36 PolarHBondContact O-ND2 3.37Å
33	C	90.1	Very high	83.2	Confident	11 Å²	11	55.9 Å²	55.9	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-39.6	176	-70.3	0	0	0	0	111.8	I12 C30 R31 I37	I12-C33 HydrophobicContact CB-CB 3.99Å; I12-C33 HydrophobicContact CD1-CB 3.63Å; I12-C33 HydrophobicContact CG1-CB 4.44Å; I12-C33 HydrophobicContact CG2-CB 3.91Å; C30-C33 HydrophobicContact CB-CB 4.06Å; C30-C33 WeakPolarHBondContact O-CB 3.06Å; C30-C33 PolarHBondContact O-N 2.93Å; R31-C33 VanDerWaalsContact C-N 3.28Å; R31-C33 PolarHBondContact O-N 3.42Å; C33-I37 WeakPolarHBondContact O-CG1 3.4Å; C33-I37 PolarHBondContact O-N 3.36Å
34	L	88.4	Confident	81.2	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-69.4	-38	174.9	-66.7	176.2	0	0	0	112.3	R21 L23 F29 C30 R31 I37 L38 L54 I70 L73	R21-L34 HydrophobicContact CB-CD1 3.79Å; L23-L34 HydrophobicContact CD2-CD1 4.41Å; F29-L34 HydrophobicContact CB-CD1 4.11Å; F29-L34 HydrophobicContact CB-CD2 3.7Å; F29-L34 HydrophobicContact CB-CG 3.69Å; F29-L34 HydrophobicContact CD2-CD2 3.82Å; F29-L34 HydrophobicContact CG-CD2 3.92Å; F29-L34 HydrophobicContact CG-CG 4.45Å; C30-L34 PolarHBondContact O-N 3.48Å; C30-L34 VanDerWaalsContact O-N 3.09Å; R31-L34 PolarHBondContact O-N 2.88Å; R31-L34 VanDerWaalsContact O-N 3.13Å; L34-I37 PolarHBondContact O-N 3.04Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 3.49Å; L34-L54 HydrophobicContact CD2-CD2 4.07Å; L34-I70 HydrophobicContact CB-CD1 3.93Å; L34-I70 HydrophobicContact CB-CG1 4.1Å; L34-I70 HydrophobicContact CB-CG2 3.8Å; L34-I70 HydrophobicContact CD1-CG2 4.09Å; L34-L73 HydrophobicContact CD1-CD1 3.91Å
35	E	86.7	Confident	79.2	Confident	42 Å²	42	68.7 Å²	68.7	20%	0.196	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-45.6	174.6	-76.1	176.6	170.5	0	0	111.3	R31 N32 I37 L38 Q39 I70	R31-E35 IonicContact CZ-OE1 3.57Å; R31-E35 IonicContact CZ-OE2 2.94Å; R31-E35 IonicContact NH1-OE1 3.73Å; R31-E35 PolarHBondContact NH1-OE1 3.39Å; R31-E35 IonicContact NH1-OE2 2.7Å; R31-E35 PolarHBondContact NH1-OE2 3.26Å; R31-E35 IonicContact NH2-OE2 3.91Å; R31-E35 PolarHBondContact O-N 2.88Å; N32-E35 PolarHBondContact O-N 3.25Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.49Å; E35-L38 PolarHBondContact O-N 2.89Å; E35-Q39 WeakPolarHBondContact O-CB 3.41Å; E35-Q39 VanDerWaalsContact O-CG 3.31Å; E35-Q39 WeakPolarHBondContact O-CG 3.17Å; E35-Q39 PolarHBondContact O-N 2.93Å; E35-I70 HydrophobicContact CG-CB 3.97Å; E35-I70 HydrophobicContact CG-CG1 3.82Å; E35-I70 HydrophobicContact CG-CG2 4.32Å
36	N	83.4	Confident	77.1	Confident	78 Å²	78	75.3 Å²	75.3	42%	0.417	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-39.5	177.3	-68.9	-19.7	0	0	0	112.2	N32 Q39 A40	N32-N36 WeakPolarHBondContact O-CB 3.36Å; N32-N36 PolarHBondContact O-N 2.94Å; N32-N36 PolarHBondContact O-ND2 3.37Å; N36-Q39 PolarHBondContact O-N 3.44Å; N36-A40 VanDerWaalsContact O-CB 3.3Å; N36-A40 WeakPolarHBondContact O-CB 3.49Å; N36-A40 PolarHBondContact O-N 2.97Å
37	I	83.1	Confident	75.2	Confident	48 Å²	48	81 Å²	81	25%	0.246	41%	0.413	C	S	.	.	H	α-helix	trans	-66.6	-42.4	175.4	-68.3	166.7	0	0	0	111.1	I12 C33 L34 E35 Q39 A40 S41 L54 P57	I12-I37 HydrophobicContact CD1-CD1 3.45Å; I12-I37 VanDerWaalsContact CD1-CD1 3.45Å; I12-I37 HydrophobicContact CG1-CD1 4.36Å; C33-I37 WeakPolarHBondContact O-CG1 3.4Å; C33-I37 PolarHBondContact O-N 3.36Å; L34-I37 PolarHBondContact O-N 3.04Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.49Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-A40 PolarHBondContact O-N 3.34Å; I37-S41 WeakPolarHBondContact O-CB 3.34Å; I37-S41 PolarHBondContact O-N 2.93Å; I37-S41 PolarHBondContact O-OG 2.94Å; I37-L54 HydrophobicContact CG2-CD1 3.81Å; I37-P57 HydrophobicContact CD1-CG 3.58Å
38	L	79.2	Confident	73.2	Confident	39 Å²	39	90.2 Å²	90.2	20%	0.204	45%	0.445	C	S	.	.	H	α-helix	trans	-64.9	-38.1	178.7	-169.5	121.3	0	0	0	111.4	L34 E35 S41 G42 I52 L54 I65 I70	L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 3.49Å; E35-L38 PolarHBondContact O-N 2.89Å; L38-S41 WeakPolarHBondContact CA-OG 3.35Å; L38-S41 PolarHBondContact O-N 2.8Å; L38-S41 PolarHBondContact O-OG 3.48Å; L38-G42 PolarHBondContact O-N 2.98Å; L38-I52 HydrophobicContact CD1-CG2 3.8Å; L38-I52 HydrophobicContact CG-CG2 4.41Å; L38-L54 HydrophobicContact CB-CD1 4.32Å; L38-L54 HydrophobicContact CD1-CD1 4.32Å; L38-I65 HydrophobicContact CD1-CD1 4.17Å; L38-I70 HydrophobicContact CB-CD1 4.43Å; L38-I70 HydrophobicContact CD1-CD1 3.87Å
39	Q	74.6	Confident	71.4	Confident	141 Å²	141	92.9 Å²	92.9	66%	0.659	46%	0.463	S	S	*	.	H	α-helix	trans	-67.9	-42.1	173.8	-70.7	177.3	22.8	0	0	112	E35 N36 I37 S41 G42	E35-Q39 WeakPolarHBondContact O-CB 3.41Å; E35-Q39 VanDerWaalsContact O-CG 3.31Å; E35-Q39 WeakPolarHBondContact O-CG 3.17Å; E35-Q39 PolarHBondContact O-N 2.93Å; N36-Q39 PolarHBondContact O-N 3.44Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-S41 PolarHBondContact O-N 2.94Å; Q39-G42 PolarHBondContact O-N 3.4Å
40	A	70.2	Confident	69.8	Low	89 Å²	89	100.3 Å²	100.3	74%	0.736	50%	0.502	S	S	*	.	H	α-helix	trans	-67.9	-22.3	178.4	0	0	0	0	0	113.7	N36 I37	N36-A40 VanDerWaalsContact O-CB 3.3Å; N36-A40 WeakPolarHBondContact O-CB 3.49Å; N36-A40 PolarHBondContact O-N 2.97Å; I37-A40 PolarHBondContact O-N 3.34Å
41	S	64.7	Low	68.4	Low	66 Å²	66	107.1 Å²	107.1	46%	0.462	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	0.5	178.3	48.8	0	0	0	0	114.3	I37 L38 Q39 N43	I37-S41 WeakPolarHBondContact O-CB 3.34Å; I37-S41 PolarHBondContact O-N 2.93Å; I37-S41 PolarHBondContact O-OG 2.94Å; L38-S41 WeakPolarHBondContact CA-OG 3.35Å; L38-S41 PolarHBondContact O-N 2.8Å; L38-S41 PolarHBondContact O-OG 3.48Å; Q39-S41 PolarHBondContact O-N 2.94Å; S41-N43 VanDerWaalsContact C-N 3.25Å; S41-N43 PolarHBondContact O-N 3.4Å
42	G	57.4	Low	67.5	Low	56 Å²	56	106.5 Å²	106.5	58%	0.577	53%	0.528	S	S	*	.			trans	-76.3	26.7	-173.6	0	0	0	0	0	117.5	L38 Q39	L38-G42 PolarHBondContact O-N 2.98Å; Q39-G42 PolarHBondContact O-N 3.4Å
43	N	51.4	Low	67.1	Low	140 Å²	140	106.3 Å²	106.3	75%	0.749	53%	0.531	S	S	*	.			trans	-100.2	128.3	167.6	-78.3	-19.3	0	0	0	108.8	S41	S41-N43 VanDerWaalsContact C-N 3.25Å; S41-N43 PolarHBondContact O-N 3.4Å
44	F	50.2	Low	66.8	Low	178 Å²	178	105.8 Å²	105.8	78%	0.781	53%	0.528	S	S	*	.			trans	79.3	112.6	-168.5	-55.9	-88.1	0	0	0	111.4
45	Y	46.4	Very low	66.7	Low	191 Å²	191	112.7 Å²	112.7	75%	0.749	56%	0.558	S	S	*	*				-157.4	151.7	62.2	-62	-83.5	0	0	0	113.2	W47	Y45-W47 VanDerWaalsContact C-N 3.28Å; Y45-W47 PolarHBondContact O-N 2.94Å
46	I	48.3	Very low	66.8	Low	167 Å²	167	110.8 Å²	110.8	86%	0.856	55%	0.549	S	S	*	.	S	Bend	trans	-80.4	8	-174.2	-64.6	162.3	0	0	0	113.6
47	W	51.2	Low	67	Low	220 Å²	220	109.8 Å²	109.8	83%	0.833	55%	0.547	S	S	*	.	S	Bend	trans	-140	125.3	-179	-73.6	83.9	0	0	0	110.1	Y45 P49	Y45-W47 VanDerWaalsContact C-N 3.28Å; Y45-W47 PolarHBondContact O-N 2.94Å; W47-P49 WeakPolarHBondContact O-CD 3.31Å; W47-P49 VanDerWaalsContact O-N 3.08Å
48	R	51.3	Low	67.3	Low	252 Å²	252	111.5 Å²	111.5	95%	0.951	56%	0.557	S	S	*	*			trans	-56.8	106.6	-179.4	-88.6	-171.3	-175.3	-178.4	1.9	110.7
49	P	55.1	Low	67.7	Low	79 Å²	79	112 Å²	112	51%	0.513	56%	0.563	S	S	.	*			trans	-80.2	148.2	170	3.2	17.1	0	0	0	108.8	W47 R51	W47-P49 WeakPolarHBondContact O-CD 3.31Å; W47-P49 VanDerWaalsContact O-N 3.08Å; P49-R51 WeakPolarHBondContact CB-O 3.21Å; P49-R51 PolarHBondContact O-N 3.38Å; P49-R51 VanDerWaalsContact O-N 3.15Å
50	L	59.6	Low	68.3	Low	156 Å²	156	115.3 Å²	115.3	82%	0.817	57%	0.569	S	S	*	*	S	Bend	trans	-66.2	-8.9	174.5	-120.6	76.7	0	0	0	112.9	P67	L50-P67 VanDerWaalsContact O-CD 3.25Å; L50-P67 WeakPolarHBondContact O-CD 3.28Å; L50-P67 WeakPolarHBondContact O-CG 3.48Å
51	R	65.2	Low	69.1	Low	147 Å²	147	113.3 Å²	113.3	56%	0.555	55%	0.55	S	S	*	*	S	Bend	trans	-150.3	148.4	-179.8	-64	-173.2	179.9	163.2	-2.4	112.5	P49 E64 I65	P49-R51 WeakPolarHBondContact CB-O 3.21Å; P49-R51 PolarHBondContact O-N 3.38Å; P49-R51 VanDerWaalsContact O-N 3.15Å; R51-E64 HydrophobicContact CB-CB 4.11Å; R51-E64 WeakPolarHBondContact CD-OE2 3.39Å; R51-E64 IonicContact CZ-OE2 3.81Å; R51-E64 IonicContact NE-OE2 3.94Å; R51-E64 IonicContact NH1-OE2 2.86Å; R51-E64 PolarHBondContact NH1-OE2 3.07Å; R51-I65 CarbonylContact C-O 3.53Å; R51-I65 WeakPolarHBondContact CA-O 3.5Å; R51-I65 WeakPolarHBondContact CB-O 3.3Å
52	I	74.3	Confident	70	Confident	57 Å²	57	115.7 Å²	115.7	29%	0.292	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.7	121.4	-176.1	-54.6	166	0	0	0	110	L38 I65	L38-I52 HydrophobicContact CD1-CG2 3.8Å; L38-I52 HydrophobicContact CG-CG2 4.41Å; I52-I65 HydrophobicContact CB-CB 4.48Å; I52-I65 PolarHBondContact N-O 3.04Å; I52-I65 PolarHBondContact O-N 3.47Å
53	P	78.4	Confident	71.2	Confident	75 Å²	75	113.7 Å²	113.7	49%	0.487	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	125.1	178.7	30.4	-32.7	0	0	0	111.7	I62 I63	P53-I62 HydrophobicContact CB-CG2 4.09Å; P53-I63 CarbonylContact C-O 3.44Å; P53-I63 WeakPolarHBondContact CA-O 3.48Å
54	L	83.7	Confident	72.7	Confident	1 Å²	1	112.9 Å²	112.9	1%	0.005	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.8	174.2	-176.6	80	0	0	0	110	L23 L34 I37 L38 I63 I65	L23-L54 HydrophobicContact CD1-CD2 4.42Å; L23-L54 HydrophobicContact CD2-CD2 3.96Å; L34-L54 HydrophobicContact CD2-CD2 4.07Å; I37-L54 HydrophobicContact CG2-CD1 3.81Å; L38-L54 HydrophobicContact CB-CD1 4.32Å; L38-L54 HydrophobicContact CD1-CD1 4.32Å; L54-I63 PolarHBondContact N-O 3.02Å; L54-I63 PolarHBondContact O-N 2.68Å; L54-I65 HydrophobicContact CB-CD1 3.55Å; L54-I65 HydrophobicContact CB-CG1 4.14Å; L54-I65 HydrophobicContact CD2-CD1 3.64Å; L54-I65 HydrophobicContact CG-CD1 4.12Å
55	K	86.6	Confident	74.1	Confident	144 Å²	144	104.5 Å²	104.5	63%	0.626	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.1	171.6	-74	179.1	-177.7	177.2	0	110.5	P57 I62	K55-P57 WeakPolarHBondContact O-CD 3.33Å; K55-I62 HydrophobicContact CG-CG1 3.96Å
56	C	89.3	Confident	75.6	Confident	2 Å²	2	97 Å²	97	1%	0.014	47%	0.465	C	S	.	.			trans	-65.3	127.5	174.6	178.2	0	0	0	0	111	L23 C25 N58 C59 R60 S61	L23-C56 HydrophobicContact CD1-CB 3.88Å; C25-C56 VanDerWaalsContact SG-SG 3.66Å; C56-N58 VanDerWaalsContact C-N 3.28Å; C56-N58 PolarHBondContact O-N 3.42Å; C56-C59 PolarHBondContact SG-SG 3.35Å; C56-R60 WeakPolarHBondContact O-CA 3.48Å; C56-R60 PolarHBondContact O-N 3.24Å; C56-S61 PolarHBondContact N-O 2.89Å
57	P	87.5	Confident	76.6	Confident	58 Å²	58	93.7 Å²	93.7	38%	0.377	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.6	177.6	-29.2	37.6	0	0	0	114.7	I12 F29 I37 K55	I12-P57 HydrophobicContact CD1-CG 4.21Å; F29-P57 HydrophobicContact CE1-CB 3.99Å; F29-P57 HydrophobicContact CE1-CG 4Å; F29-P57 HydrophobicContact CZ-CB 4.06Å; F29-P57 HydrophobicContact CZ-CG 4.03Å; I37-P57 HydrophobicContact CD1-CG 3.58Å; K55-P57 WeakPolarHBondContact O-CD 3.33Å
58	N	88.1	Confident	77.5	Confident	84 Å²	84	88.1 Å²	88.1	45%	0.449	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-49.5	-174.5	-73.2	16.4	0	0	0	112.8	H27 F29 C56	H27-N58 VanDerWaalsContact CD2-CB 3.45Å; H27-N58 WeakPolarHBondContact CD2-CB 3.44Å; H27-N58 PolarHBondContact CD2-ND2 3.21Å; F29-N58 HydrophobicContact CZ-CB 4.24Å; C56-N58 VanDerWaalsContact C-N 3.28Å; C56-N58 PolarHBondContact O-N 3.42Å
59	C	88.9	Confident	78.9	Confident	50 Å²	50	76.9 Å²	76.9	34%	0.338	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-1.7	-173.6	58.8	0	0	0	0	114.5	H27 C56 S61	H27-C59 VanDerWaalsContact CE1-SG 3.52Å; H27-C59 PolarHBondContact ND1-SG 3.05Å; C56-C59 PolarHBondContact SG-SG 3.35Å; C59-S61 PolarHBondContact O-N 3.3Å; C59-S61 PolarHBondContact SG-OG 3.4Å
60	R	86.4	Confident	80.4	Confident	210 Å²	210	73.3 Å²	73.3	79%	0.792	38%	0.384	S	S	*	.			trans	62.8	4.7	178.3	-54	179.7	179.6	173.6	-0.4	115.9	C56	C56-R60 WeakPolarHBondContact O-CA 3.48Å; C56-R60 PolarHBondContact O-N 3.24Å
61	S	86.6	Confident	81.5	Confident	47 Å²	47	70.4 Å²	70.4	33%	0.329	37%	0.366	S	S	.	.			trans	-55.2	136	172.1	-47.4	0	0	0	0	111.3	C56 C59	C56-S61 PolarHBondContact N-O 2.89Å; C59-S61 PolarHBondContact O-N 3.3Å; C59-S61 PolarHBondContact SG-OG 3.4Å
62	I	84.1	Confident	82.3	Confident	115 Å²	115	65.9 Å²	65.9	59%	0.59	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.9	174.5	-60.1	170.2	0	0	0	108.4	P53 K55	P53-I62 HydrophobicContact CB-CG2 4.09Å; K55-I62 HydrophobicContact CG-CG1 3.96Å
63	I	83.1	Confident	83	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.072	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.8	-178.4	-57.1	-55	0	0	0	108.7	L23 P24 C25 P53 L54 I65	L23-I63 HydrophobicContact CB-CG1 4.46Å; P24-I63 HydrophobicContact CB-CD1 4.15Å; P24-I63 VanDerWaalsContact CD-CG2 3.42Å; P24-I63 HydrophobicContact CG-CD1 4.29Å; P24-I63 HydrophobicContact CG-CG2 3.76Å; C25-I63 HydrophobicContact CB-CD1 4.21Å; P53-I63 CarbonylContact C-O 3.44Å; P53-I63 WeakPolarHBondContact CA-O 3.48Å; L54-I63 PolarHBondContact N-O 3.02Å; L54-I63 PolarHBondContact O-N 2.68Å; I63-I65 HydrophobicContact CG2-CG1 4.28Å
64	E	82.8	Confident	83.6	Confident	123 Å²	123	64.3 Å²	64.3	58%	0.575	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	115.7	172.7	-62.8	-173.4	165.3	0	0	110.7	R51	R51-E64 HydrophobicContact CB-CB 4.11Å; R51-E64 WeakPolarHBondContact CD-OE2 3.39Å; R51-E64 IonicContact CZ-OE2 3.81Å; R51-E64 IonicContact NE-OE2 3.94Å; R51-E64 IonicContact NH1-OE2 2.86Å; R51-E64 PolarHBondContact NH1-OE2 3.07Å
65	I	79	Confident	84	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144	-179.5	-54.5	-174.1	0	0	0	109.6	L38 R51 I52 L54 I63 G69 I70 L73	L38-I65 HydrophobicContact CD1-CD1 4.17Å; R51-I65 CarbonylContact C-O 3.53Å; R51-I65 WeakPolarHBondContact CA-O 3.5Å; R51-I65 WeakPolarHBondContact CB-O 3.3Å; I52-I65 HydrophobicContact CB-CB 4.48Å; I52-I65 PolarHBondContact N-O 3.04Å; I52-I65 PolarHBondContact O-N 3.47Å; L54-I65 HydrophobicContact CB-CD1 3.55Å; L54-I65 HydrophobicContact CB-CG1 4.14Å; L54-I65 HydrophobicContact CD2-CD1 3.64Å; L54-I65 HydrophobicContact CG-CD1 4.12Å; I63-I65 HydrophobicContact CG2-CG1 4.28Å; I65-G69 VanDerWaalsContact CG2-O 3.27Å; I65-G69 WeakPolarHBondContact CG2-O 3.37Å; I65-I70 HydrophobicContact CD1-CD1 3.58Å; I65-L73 HydrophobicContact CD1-CD1 4.27Å
66	A	77.2	Confident	84.3	Confident	35 Å²	35	60.4 Å²	60.4	29%	0.289	34%	0.336	S	S	.	.			trans	-62.3	160.7	176.6	0	0	0	0	0	111.9	T68 G69	A66-T68 PolarHBondContact O-N 2.93Å; A66-G69 PolarHBondContact O-N 3.07Å
67	P	69.4	Low	84.3	Confident	96 Å²	96	66.4 Å²	66.4	62%	0.623	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.6	177.8	-14	23.7	0	0	0	113.7	L50 G69	L50-P67 VanDerWaalsContact O-CD 3.25Å; L50-P67 WeakPolarHBondContact O-CD 3.28Å; L50-P67 WeakPolarHBondContact O-CG 3.48Å; P67-G69 PolarHBondContact O-N 3.47Å
68	T	71.1	Confident	84.4	Confident	104 Å²	104	66.8 Å²	66.8	64%	0.638	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	1	176.1	48	0	0	0	0	113.4	A66 S72	A66-T68 PolarHBondContact O-N 2.93Å; T68-S72 WeakPolarHBondContact OG1-CB 3.36Å
69	G	81.6	Confident	84.5	Confident	15 Å²	15	63.9 Å²	63.9	16%	0.155	36%	0.355	C	S	.	.			trans	80.6	-161.9	169.5	0	0	0	0	0	114.2	I65 A66 P67 E71 S72	I65-G69 VanDerWaalsContact CG2-O 3.27Å; I65-G69 WeakPolarHBondContact CG2-O 3.37Å; A66-G69 PolarHBondContact O-N 3.07Å; P67-G69 PolarHBondContact O-N 3.47Å; G69-E71 PolarHBondContact O-N 3.35Å; G69-E71 VanDerWaalsContact O-N 3.16Å; G69-S72 WeakPolarHBondContact O-CB 3.25Å; G69-S72 PolarHBondContact O-N 2.97Å; G69-S72 VanDerWaalsContact O-N 3.09Å; G69-S72 PolarHBondContact O-OG 3.32Å
70	I	85.2	Confident	84.4	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.026	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-59	-26.5	-177.7	-59.5	-52.7	0	0	0	112.1	R21 R31 L34 E35 L38 I65 S72 L73	R21-I70 HydrophobicContact CG-CG2 4.45Å; R31-I70 HydrophobicContact CG-CG2 3.88Å; L34-I70 HydrophobicContact CB-CD1 3.93Å; L34-I70 HydrophobicContact CB-CG1 4.1Å; L34-I70 HydrophobicContact CB-CG2 3.8Å; L34-I70 HydrophobicContact CD1-CG2 4.09Å; E35-I70 HydrophobicContact CG-CB 3.97Å; E35-I70 HydrophobicContact CG-CG1 3.82Å; E35-I70 HydrophobicContact CG-CG2 4.32Å; L38-I70 HydrophobicContact CB-CD1 4.43Å; L38-I70 HydrophobicContact CD1-CD1 3.87Å; I65-I70 HydrophobicContact CD1-CD1 3.58Å; I70-S72 PolarHBondContact O-N 3Å; I70-S72 VanDerWaalsContact O-N 3.15Å; I70-L73 HydrophobicContact CD1-CD1 4.19Å; I70-L73 HydrophobicContact CG2-CD1 4.18Å; I70-L73 WeakPolarHBondContact O-CB 3.24Å; I70-L73 PolarHBondContact O-N 3.44Å
71	E	83.5	Confident	84.4	Confident	95 Å²	95	57.9 Å²	57.9	44%	0.444	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-60.3	-24.7	177.1	-65.1	-61.9	169.6	0	0	113.7	R21 R31 G69 L73	R21-E71 IonicContact CZ-OE2 2.81Å; R21-E71 PolarHBondContact NH1-O 3.45Å; R21-E71 IonicContact NH1-OE2 3.25Å; R21-E71 IonicContact NH2-OE2 3.46Å; R21-E71 PolarHBondContact NH2-OE2 3.33Å; R31-E71 WeakPolarHBondContact CD-OE1 3.48Å; R31-E71 IonicContact CZ-OE1 3.45Å; R31-E71 IonicContact NE-OE1 3.48Å; R31-E71 IonicContact NH1-OE1 3.96Å; R31-E71 PolarHBondContact NH1-OE1 2.91Å; G69-E71 PolarHBondContact O-N 3.35Å; G69-E71 VanDerWaalsContact O-N 3.16Å; E71-L73 PolarHBondContact O-N 3.46Å
72	S	82.3	Confident	84.4	Confident	52 Å²	52	60.1 Å²	60.1	36%	0.364	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-73.4	-13	176.5	66.6	0	0	0	0	113.9	T68 G69 I70	T68-S72 WeakPolarHBondContact OG1-CB 3.36Å; G69-S72 WeakPolarHBondContact O-CB 3.25Å; G69-S72 PolarHBondContact O-N 2.97Å; G69-S72 VanDerWaalsContact O-N 3.09Å; G69-S72 PolarHBondContact O-OG 3.32Å; I70-S72 PolarHBondContact O-N 3Å; I70-S72 VanDerWaalsContact O-N 3.15Å
73	L	89.4	Confident	84.5	Confident	12 Å²	12	55 Å²	55	6%	0.063	32%	0.315	C	S	.	.	S	Bend	trans	-76.5	138.5	-179.3	-67	170.5	0	0	0	111.2	R21 L23 L34 I65 I70 E71 V75	R21-L73 HydrophobicContact CB-CB 4.15Å; R21-L73 PolarHBondContact NH1-O 2.99Å; L23-L73 HydrophobicContact CD2-CD1 3.64Å; L23-L73 HydrophobicContact CD2-CD2 4.15Å; L34-L73 HydrophobicContact CD1-CD1 3.91Å; I65-L73 HydrophobicContact CD1-CD1 4.27Å; I70-L73 HydrophobicContact CD1-CD1 4.19Å; I70-L73 HydrophobicContact CG2-CD1 4.18Å; I70-L73 WeakPolarHBondContact O-CB 3.24Å; I70-L73 PolarHBondContact O-N 3.44Å; E71-L73 PolarHBondContact O-N 3.46Å; L73-V75 PolarHBondContact O-N 3.12Å
74	P	90.8	Very high	84.5	Confident	86 Å²	86	58.6 Å²	58.6	56%	0.558	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-57.2	137.8	177.1	-23.6	32.9	0	0	0	112.5	R21 V22	R21-P74 WeakPolarHBondContact CA-O 3.48Å; V22-P74 PolarHBondContact N-O 3.24Å
75	V	92	Very high	84.4	Confident	25 Å²	25	59.7 Å²	59.7	15%	0.152	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-77.8	136	169.6	-177.6	0	0	0	0	109.1	P20 L73 F77	P20-V75 CarbonylContact O-C 3.56Å; P20-V75 WeakPolarHBondContact O-CA 3.23Å; L73-V75 PolarHBondContact O-N 3.12Å; V75-F77 VanDerWaalsContact C-N 3.3Å; V75-F77 HydrophobicContact CB-CD2 4.37Å; V75-F77 HydrophobicContact CB-CE1 4.29Å; V75-F77 HydrophobicContact CB-CE2 4.02Å; V75-F77 HydrophobicContact CB-CZ 3.98Å; V75-F77 HydrophobicContact CG1-CD1 4.41Å; V75-F77 HydrophobicContact CG1-CE1 4.39Å; V75-F77 VanDerWaalsContact O-CD2 3.25Å; V75-F77 WeakPolarHBondContact O-CD2 3.32Å; V75-F77 PolarHBondContact O-N 3.11Å
76	N	92.6	Very high	84.3	Confident	39 Å²	39	61.6 Å²	61.6	21%	0.209	34%	0.342	C	S	.	.			trans	-77	81.7	170.2	-162.9	-29.5	0	0	0	110	P20 V22 T28 A78 L79 R80	P20-N76 HydrophobicContact CB-CB 4.12Å; P20-N76 HydrophobicContact CG-CB 4.27Å; P20-N76 PolarHBondContact O-N 3.3Å; V22-N76 HydrophobicContact CG2-CB 3.45Å; V22-N76 VanDerWaalsContact CG2-CB 3.45Å; T28-N76 HydrophobicContact CG2-CB 4.18Å; T28-N76 PolarHBondContact OG1-ND2 3.42Å; N76-A78 PolarHBondContact O-N 2.76Å; N76-L79 HydrophobicContact CB-CB 3.9Å; N76-L79 VanDerWaalsContact CG-CB 3.4Å; N76-L79 PolarHBondContact O-N 3.16Å; N76-L79 WeakPolarHBondContact OD1-CB 3.23Å; N76-L79 PolarHBondContact OD1-N 2.9Å; N76-R80 WeakPolarHBondContact O-CB 3.45Å; N76-R80 PolarHBondContact O-N 2.87Å
77	F	89.8	Confident	84	Confident	128 Å²	128	66 Å²	66	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-61.1	-31.8	-177.9	-67.4	-79.1	0	0	0	113.3	V75 R80 A81	V75-F77 VanDerWaalsContact C-N 3.3Å; V75-F77 HydrophobicContact CB-CD2 4.37Å; V75-F77 HydrophobicContact CB-CE1 4.29Å; V75-F77 HydrophobicContact CB-CE2 4.02Å; V75-F77 HydrophobicContact CB-CZ 3.98Å; V75-F77 HydrophobicContact CG1-CD1 4.41Å; V75-F77 HydrophobicContact CG1-CE1 4.39Å; V75-F77 VanDerWaalsContact O-CD2 3.25Å; V75-F77 WeakPolarHBondContact O-CD2 3.32Å; V75-F77 PolarHBondContact O-N 3.11Å; F77-R80 PolarHBondContact O-N 3.46Å; F77-A81 VanDerWaalsContact O-CB 3.32Å; F77-A81 WeakPolarHBondContact O-CB 3.42Å; F77-A81 PolarHBondContact O-N 3.38Å
78	A	88.2	Confident	84	Confident	66 Å²	66	68.9 Å²	68.9	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-67.1	-49.3	177.1	0	0	0	0	0	111	N76 R80 A81 I82	N76-A78 PolarHBondContact O-N 2.76Å; A78-R80 VanDerWaalsContact C-N 3.31Å; A78-R80 PolarHBondContact O-N 3.41Å; A78-A81 PolarHBondContact O-N 3.47Å; A78-I82 VanDerWaalsContact O-CG1 3.27Å; A78-I82 WeakPolarHBondContact O-CG1 3.5Å; A78-I82 PolarHBondContact O-N 3.43Å
79	L	89.8	Confident	83.6	Confident	23 Å²	23	70 Å²	70	12%	0.12	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-40.3	175.3	-176.3	59.6	0	0	0	111.5	L8 F17 P20 T28 N76 A81 I82 I83	L8-L79 HydrophobicContact CD2-CD1 3.58Å; F17-L79 HydrophobicContact CD2-CD2 3.6Å; F17-L79 HydrophobicContact CD2-CG 4.33Å; F17-L79 HydrophobicContact CE2-CD2 3.86Å; F17-L79 HydrophobicContact CG-CD2 4.03Å; F17-L79 HydrophobicContact CZ-CD2 4.48Å; P20-L79 HydrophobicContact CB-CD2 3.92Å; P20-L79 HydrophobicContact CG-CD2 4.42Å; T28-L79 HydrophobicContact CG2-CD2 3.8Å; N76-L79 HydrophobicContact CB-CB 3.9Å; N76-L79 VanDerWaalsContact CG-CB 3.4Å; N76-L79 PolarHBondContact O-N 3.16Å; N76-L79 WeakPolarHBondContact OD1-CB 3.23Å; N76-L79 PolarHBondContact OD1-N 2.9Å; L79-A81 PolarHBondContact O-N 2.83Å; L79-I82 PolarHBondContact O-N 3.16Å; L79-I83 HydrophobicContact CD1-CD1 4.17Å; L79-I83 HydrophobicContact CD1-CG1 4.45Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 WeakPolarHBondContact O-CB 2.98Å; L79-I83 VanDerWaalsContact O-CG1 3.24Å; L79-I83 WeakPolarHBondContact O-CG1 3.33Å; L79-I83 PolarHBondContact O-N 3.42Å
80	R	88.8	Confident	82	Confident	91 Å²	91	77.1 Å²	77.1	34%	0.343	39%	0.394	S	S	.	.	H	α-helix	trans	-61.7	-43.8	175.6	-163	179	74.2	-162.5	0.5	112.1	P20 N76 F77 A78 I82 I83 E84	P20-R80 HydrophobicContact CG-CB 4.19Å; N76-R80 WeakPolarHBondContact O-CB 3.45Å; N76-R80 PolarHBondContact O-N 2.87Å; F77-R80 PolarHBondContact O-N 3.46Å; A78-R80 VanDerWaalsContact C-N 3.31Å; A78-R80 PolarHBondContact O-N 3.41Å; R80-I82 VanDerWaalsContact C-N 3.33Å; R80-I82 PolarHBondContact O-N 2.93Å; R80-I83 PolarHBondContact O-N 3.39Å; R80-E84 WeakPolarHBondContact CG-OE1 3.37Å; R80-E84 IonicContact NE-OE1 3.26Å; R80-E84 PolarHBondContact NE-OE1 3.14Å; R80-E84 WeakPolarHBondContact O-CB 3.33Å; R80-E84 VanDerWaalsContact O-CG 3.27Å; R80-E84 WeakPolarHBondContact O-CG 3.31Å; R80-E84 PolarHBondContact O-N 3.35Å
81	A	86.1	Confident	80.6	Confident	43 Å²	43	79.7 Å²	79.7	36%	0.355	41%	0.406	S	S	.	.	H	α-helix	trans	-66.4	-34.4	177.1	0	0	0	0	0	112.7	F77 A78 L79 K85	F77-A81 VanDerWaalsContact O-CB 3.32Å; F77-A81 WeakPolarHBondContact O-CB 3.42Å; F77-A81 PolarHBondContact O-N 3.38Å; A78-A81 PolarHBondContact O-N 3.47Å; L79-A81 PolarHBondContact O-N 2.83Å; A81-K85 WeakPolarHBondContact O-CG 3.12Å; A81-K85 PolarHBondContact O-N 3.25Å; A81-K85 VanDerWaalsContact O-N 3.08Å
82	I	86.6	Confident	79.1	Confident	94 Å²	94	80.8 Å²	80.8	48%	0.482	42%	0.421	S	S	.	.	H	α-helix	trans	-66.5	-45.1	173.3	-66.9	163.9	0	0	0	109.9	L8 A78 L79 R80 K85 Y86	L8-I82 HydrophobicContact CD1-CG2 4.32Å; L8-I82 HydrophobicContact CD2-CG2 3.81Å; A78-I82 VanDerWaalsContact O-CG1 3.27Å; A78-I82 WeakPolarHBondContact O-CG1 3.5Å; A78-I82 PolarHBondContact O-N 3.43Å; L79-I82 PolarHBondContact O-N 3.16Å; R80-I82 VanDerWaalsContact C-N 3.33Å; R80-I82 PolarHBondContact O-N 2.93Å; I82-K85 PolarHBondContact O-N 2.9Å; I82-Y86 VanDerWaalsContact O-CB 3.3Å; I82-Y86 WeakPolarHBondContact O-CB 3.42Å; I82-Y86 PolarHBondContact O-N 3.16Å
83	I	85.1	Confident	77.9	Confident	7 Å²	7	85.2 Å²	85.2	4%	0.036	44%	0.441	C	S	.	.	H	α-helix	trans	-63.1	-43.6	176.5	-69.8	166.1	0	0	0	111.4	L8 I16 F17 L79 R80 K85 Y86 Q87	L8-I83 HydrophobicContact CD2-CG1 4.32Å; I16-I83 HydrophobicContact CG2-CB 4.45Å; I16-I83 HydrophobicContact CG2-CD1 4.08Å; I16-I83 HydrophobicContact CG2-CG1 3.99Å; I16-I83 HydrophobicContact CG2-CG2 3.64Å; F17-I83 HydrophobicContact CB-CD1 3.65Å; F17-I83 HydrophobicContact CD2-CD1 4.4Å; L79-I83 HydrophobicContact CD1-CD1 4.17Å; L79-I83 HydrophobicContact CD1-CG1 4.45Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 WeakPolarHBondContact O-CB 2.98Å; L79-I83 VanDerWaalsContact O-CG1 3.24Å; L79-I83 WeakPolarHBondContact O-CG1 3.33Å; L79-I83 PolarHBondContact O-N 3.42Å; R80-I83 PolarHBondContact O-N 3.39Å; I83-K85 VanDerWaalsContact C-N 3.32Å; I83-K85 PolarHBondContact O-N 3.35Å; I83-Y86 PolarHBondContact O-N 2.96Å; I83-Q87 HydrophobicContact CG2-CG 4.33Å; I83-Q87 WeakPolarHBondContact O-CB 2.95Å; I83-Q87 VanDerWaalsContact O-CG 3.26Å; I83-Q87 WeakPolarHBondContact O-CG 3.37Å; I83-Q87 PolarHBondContact O-N 3.36Å
84	E	83.5	Confident	76.8	Confident	89 Å²	89	88 Å²	88	42%	0.416	46%	0.455	S	S	.	.	H	α-helix	trans	-60.8	-40.4	177.1	-77.1	168.1	-163.5	0	0	111.5	R80 Q88	R80-E84 WeakPolarHBondContact CG-OE1 3.37Å; R80-E84 IonicContact NE-OE1 3.26Å; R80-E84 PolarHBondContact NE-OE1 3.14Å; R80-E84 WeakPolarHBondContact O-CB 3.33Å; R80-E84 VanDerWaalsContact O-CG 3.27Å; R80-E84 WeakPolarHBondContact O-CG 3.31Å; R80-E84 PolarHBondContact O-N 3.35Å; E84-Q88 VanDerWaalsContact O-CG 3.28Å; E84-Q88 WeakPolarHBondContact O-CG 3.43Å; E84-Q88 PolarHBondContact O-N 2.97Å
85	K	80.4	Confident	76.1	Confident	146 Å²	146	87.9 Å²	87.9	64%	0.635	45%	0.453	S	S	*	.	H	α-helix	trans	-70.4	-42.7	174.9	-77.2	-174	174.8	-172.3	0	112.6	A81 I82 I83 Q87 Q88 E89	A81-K85 WeakPolarHBondContact O-CG 3.12Å; A81-K85 PolarHBondContact O-N 3.25Å; A81-K85 VanDerWaalsContact O-N 3.08Å; I82-K85 PolarHBondContact O-N 2.9Å; I83-K85 VanDerWaalsContact C-N 3.32Å; I83-K85 PolarHBondContact O-N 3.35Å; K85-Q87 VanDerWaalsContact C-N 3.27Å; K85-Q87 PolarHBondContact O-N 3.3Å; K85-Q88 PolarHBondContact O-N 3.48Å; K85-Q88 VanDerWaalsContact O-N 3.11Å; K85-E89 PolarHBondContact O-N 3Å
86	Y	76.7	Confident	75.7	Confident	43 Å²	43	90.2 Å²	90.2	17%	0.169	47%	0.467	C	S	.	.	H	α-helix	trans	-59.6	-39	175.2	-178.7	-98.4	0	0	0	111.4	L8 I16 I82 I83 Q88 H91 I94	L8-Y86 HydrophobicContact CD1-CD1 4.27Å; L8-Y86 HydrophobicContact CD1-CD2 4.15Å; L8-Y86 HydrophobicContact CD1-CG 3.96Å; I16-Y86 HydrophobicContact CD1-CD1 4.23Å; I16-Y86 HydrophobicContact CD1-CE1 3.84Å; I82-Y86 VanDerWaalsContact O-CB 3.3Å; I82-Y86 WeakPolarHBondContact O-CB 3.42Å; I82-Y86 PolarHBondContact O-N 3.16Å; I83-Y86 PolarHBondContact O-N 2.96Å; Y86-Q88 VanDerWaalsContact C-N 3.32Å; Y86-Q88 PolarHBondContact O-N 2.94Å; Y86-H91 AromaticContact CD2-NE2 3.43Å; Y86-H91 WeakPolarHBondContact CD2-NE2 3.43Å; Y86-H91 AromaticContact CE1-CD2 3.93Å; Y86-H91 AromaticContact CE2-CD2 3.83Å; Y86-H91 AromaticContact CE2-NE2 3.36Å; Y86-H91 WeakPolarHBondContact CE2-NE2 3.43Å; Y86-H91 AromaticContact CG-NE2 3.91Å; Y86-H91 AromaticContact CZ-CD2 3.72Å; Y86-H91 AromaticContact CZ-NE2 3.77Å; Y86-H91 PolarHBondContact O-CD2 3.42Å; Y86-H91 PolarHBondContact O-NE2 2.93Å; Y86-I94 HydrophobicContact CE1-CD1 4.47Å
87	Q	71.3	Confident	75.4	Confident	127 Å²	127	88.9 Å²	88.9	59%	0.593	46%	0.461	S	S	*	.	H	α-helix	trans	-74.5	-17.2	176.1	-71.9	175.3	-11.6	0	0	114.4	I83 K85	I83-Q87 HydrophobicContact CG2-CG 4.33Å; I83-Q87 WeakPolarHBondContact O-CB 2.95Å; I83-Q87 VanDerWaalsContact O-CG 3.26Å; I83-Q87 WeakPolarHBondContact O-CG 3.37Å; I83-Q87 PolarHBondContact O-N 3.36Å; K85-Q87 VanDerWaalsContact C-N 3.27Å; K85-Q87 PolarHBondContact O-N 3.3Å
88	Q	68.7	Low	75.3	Confident	156 Å²	156	88.2 Å²	88.2	73%	0.729	47%	0.469	S	S	*	.	H	α-helix	trans	-85.6	-20.6	177.2	-80.4	173.6	6.6	0	0	113	E84 K85 Y86	E84-Q88 VanDerWaalsContact O-CG 3.28Å; E84-Q88 WeakPolarHBondContact O-CG 3.43Å; E84-Q88 PolarHBondContact O-N 2.97Å; K85-Q88 PolarHBondContact O-N 3.48Å; K85-Q88 VanDerWaalsContact O-N 3.11Å; Y86-Q88 VanDerWaalsContact C-N 3.32Å; Y86-Q88 PolarHBondContact O-N 2.94Å
89	E	63.6	Low	75.2	Confident	127 Å²	127	92.5 Å²	92.5	59%	0.593	48%	0.478	S	S	*	.	S	Bend	trans	-75.9	123.2	168.8	-67	-176.8	-177.9	0	0	107.8	K85 H91	K85-E89 PolarHBondContact O-N 3Å; E89-H91 VanDerWaalsContact C-N 3.34Å; E89-H91 PolarHBondContact O-N 3.01Å; E89-H91 IonicContact OE2-CE1 3.11Å
90	D	47.5	Very low	74.8	Confident	166 Å²	166	93.5 Å²	93.5	89%	0.888	48%	0.482	S	S	*	.			trans	-60.5	99.8	173.7	-100.6	-27.2	0	0	0	107.9	P92	D90-P92 WeakPolarHBondContact O-CD 3.45Å
91	H	56.5	Low	74.5	Confident	59 Å²	59	98 Å²	98	27%	0.273	50%	0.5	S	S	.	.			trans	-97.4	91.2	170.7	-64.2	-39.4	0	0	0	107.3	Y86 E89 D93 I94	Y86-H91 AromaticContact CD2-NE2 3.43Å; Y86-H91 WeakPolarHBondContact CD2-NE2 3.43Å; Y86-H91 AromaticContact CE1-CD2 3.93Å; Y86-H91 AromaticContact CE2-CD2 3.83Å; Y86-H91 AromaticContact CE2-NE2 3.36Å; Y86-H91 WeakPolarHBondContact CE2-NE2 3.43Å; Y86-H91 AromaticContact CG-NE2 3.91Å; Y86-H91 AromaticContact CZ-CD2 3.72Å; Y86-H91 AromaticContact CZ-NE2 3.77Å; Y86-H91 PolarHBondContact O-CD2 3.42Å; Y86-H91 PolarHBondContact O-NE2 2.93Å; E89-H91 VanDerWaalsContact C-N 3.34Å; E89-H91 PolarHBondContact O-N 3.01Å; E89-H91 IonicContact OE2-CE1 3.11Å; H91-D93 PolarHBondContact O-N 3.42Å; H91-I94 HydrophobicContact CB-CD1 3.96Å; H91-I94 HydrophobicContact CB-CG1 4.1Å; H91-I94 PolarHBondContact O-N 2.95Å
92	P	51.4	Low	74	Confident	118 Å²	118	104.8 Å²	104.8	77%	0.766	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.1	-174	25	-35.4	0	0	0	114.4	D90	D90-P92 WeakPolarHBondContact O-CD 3.45Å
93	D	57.1	Low	73.6	Confident	144 Å²	144	101.6 Å²	101.6	77%	0.77	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-2	-173.6	-61.6	-37.2	0	0	0	114.2	H91 V95	H91-D93 PolarHBondContact O-N 3.42Å; D93-V95 PolarHBondContact O-N 3.42Å
94	I	65.6	Low	73.5	Confident	70 Å²	70	102.2 Å²	102.2	36%	0.359	50%	0.504	S	S	.	.			trans	-81	85.8	178.1	-53.9	178	0	0	0	109.8	Y86 H91	Y86-I94 HydrophobicContact CE1-CD1 4.47Å; H91-I94 HydrophobicContact CB-CD1 3.96Å; H91-I94 HydrophobicContact CB-CG1 4.1Å; H91-I94 PolarHBondContact O-N 2.95Å
95	V	76.7	Confident	73.6	Confident	84 Å²	84	99.4 Å²	99.4	51%	0.509	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-76.3	126.8	173.3	-168.5	0	0	0	0	109.2	D93 L105	D93-V95 PolarHBondContact O-N 3.42Å; V95-L105 HydrophobicContact CB-CD1 4.38Å; V95-L105 HydrophobicContact CG1-CD1 3.73Å; V95-L105 WeakPolarHBondContact O-CB 3.43Å; V95-L105 PolarHBondContact O-N 3.28Å
96	T	84.8	Confident	73.8	Confident	75 Å²	75	94.1 Å²	94.1	46%	0.46	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-102.8	154.7	179.5	53.9	0	0	0	0	112	Q103	T96-Q103 CarbonylContact C-O 3.12Å; T96-Q103 VanDerWaalsContact CA-O 3.31Å; T96-Q103 WeakPolarHBondContact CA-O 3.34Å
97	C	86.1	Confident	74.4	Confident	10 Å²	10	93 Å²	93	7%	0.068	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-69.2	128.7	-179.8	-174.5	0	0	0	0	110.2	E99 H100 Q103 L105 C117	C97-E99 VanDerWaalsContact C-N 3.26Å; C97-E99 PolarHBondContact O-N 3.4Å; C97-H100 HydrophobicContact CB-CB 4.2Å; C97-H100 PolarHBondContact SG-ND1 3.09Å; C97-Q103 HydrophobicContact CB-CB 4.19Å; C97-Q103 PolarHBondContact N-O 2.66Å; C97-L105 HydrophobicContact CB-CD2 3.75Å; C97-L105 HydrophobicContact CB-CG 4.42Å; C97-C117 HydrophobicContact CB-CB 3.92Å; C97-C117 VanDerWaalsContact SG-SG 3.63Å
98	P	86.5	Confident	75.4	Confident	114 Å²	114	88.6 Å²	88.6	74%	0.74	45%	0.446	S	S	*	.	S	Bend	trans	-66.3	-30.4	178.6	25.5	-33.2	0	0	0	112.6
99	E	86.8	Confident	76.6	Confident	157 Å²	157	81.1 Å²	81.1	73%	0.734	41%	0.412	S	S	*	.	S	Bend	trans	-87.8	-22.5	-176.2	-59.3	-57.3	128.5	0	0	113.3	C97	C97-E99 VanDerWaalsContact C-N 3.26Å; C97-E99 PolarHBondContact O-N 3.4Å
100	H	81.3	Confident	77.9	Confident	44 Å²	44	77.9 Å²	77.9	20%	0.204	40%	0.398	C	S	.	.	S	Bend	trans	-125.8	112.2	-173.6	-58.4	107.2	0	0	0	110.9	C97 R102 Q103 C117 H119 C120	C97-H100 HydrophobicContact CB-CB 4.2Å; C97-H100 PolarHBondContact SG-ND1 3.09Å; H100-R102 PolarHBondContact O-N 3.22Å; H100-Q103 HydrophobicContact CB-CB 3.87Å; H100-Q103 HydrophobicContact CB-CG 3.61Å; H100-Q103 WeakPolarHBondContact O-CB 3.39Å; H100-Q103 PolarHBondContact O-N 2.62Å; H100-Q103 VanDerWaalsContact O-N 3.12Å; H100-C117 PolarHBondContact ND1-SG 3.26Å; H100-C117 VanDerWaalsContact ND1-SG 3.42Å; H100-H119 HydrophobicContact CB-CB 4.31Å; H100-C120 PolarHBondContact CE1-SG 3.16Å; H100-C120 PolarHBondContact ND1-SG 3.48Å; H100-C120 VanDerWaalsContact ND1-SG 3.38Å
101	Y	81.5	Confident	80.1	Confident	184 Å²	184	75.2 Å²	75.2	72%	0.722	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	123.2	-173.7	-174	-109.4	0	0	0	112.5	Q103	Y101-Q103 PolarHBondContact O-N 2.85Å; Y101-Q103 VanDerWaalsContact O-N 3.1Å
102	R	76.6	Confident	81.8	Confident	186 Å²	186	75.5 Å²	75.5	70%	0.702	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	18.8	178.5	-63.7	-177.1	177.8	-163.5	-3.6	115.4	H100	H100-R102 PolarHBondContact O-N 3.22Å
103	Q	77.4	Confident	83.7	Confident	27 Å²	27	76.2 Å²	76.2	13%	0.126	38%	0.378	C	S	.	.			trans	-85.7	124.6	176	-66.8	-61.3	-59.9	0	0	110.4	T96 C97 H100 Y101 C117 H119	T96-Q103 CarbonylContact C-O 3.12Å; T96-Q103 VanDerWaalsContact CA-O 3.31Å; T96-Q103 WeakPolarHBondContact CA-O 3.34Å; C97-Q103 HydrophobicContact CB-CB 4.19Å; C97-Q103 PolarHBondContact N-O 2.66Å; H100-Q103 HydrophobicContact CB-CB 3.87Å; H100-Q103 HydrophobicContact CB-CG 3.61Å; H100-Q103 WeakPolarHBondContact O-CB 3.39Å; H100-Q103 PolarHBondContact O-N 2.62Å; H100-Q103 VanDerWaalsContact O-N 3.12Å; Y101-Q103 PolarHBondContact O-N 2.85Å; Y101-Q103 VanDerWaalsContact O-N 3.1Å; Q103-C117 HydrophobicContact CB-CB 3.78Å; Q103-H119 WeakPolarHBondContact CG-ND1 3.42Å; Q103-H119 PolarHBondContact OE1-CE1 2.72Å; Q103-H119 PolarHBondContact OE1-ND1 3.39Å
104	P	82.7	Confident	85.4	Confident	20 Å²	20	73.6 Å²	73.6	13%	0.13	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-70	143.3	178.1	29.3	-34	0	0	0	111.2	N106 C117	P104-N106 PolarHBondContact O-N 3.29Å; P104-C117 WeakPolarHBondContact O-CA 3.48Å; P104-C117 WeakPolarHBondContact O-CB 3.4Å
105	L	87.1	Confident	86.6	Confident	31 Å²	31	74 Å²	74	16%	0.162	36%	0.362	C	S	.	.			trans	-83.8	96.9	169.4	-68.7	-175.8	0	0	0	109.1	V95 C97 L115 C117	V95-L105 HydrophobicContact CB-CD1 4.38Å; V95-L105 HydrophobicContact CG1-CD1 3.73Å; V95-L105 WeakPolarHBondContact O-CB 3.43Å; V95-L105 PolarHBondContact O-N 3.28Å; C97-L105 HydrophobicContact CB-CD2 3.75Å; C97-L105 HydrophobicContact CB-CG 4.42Å; L105-L115 HydrophobicContact CB-CB 4.1Å; L105-L115 HydrophobicContact CD1-CB 4.19Å; L105-C117 HydrophobicContact CD2-CB 4.33Å
106	N	85.1	Confident	87.4	Confident	35 Å²	35	70.1 Å²	70.1	19%	0.187	34%	0.338	C	S	.	.			trans	-130.3	7.5	-171.6	63.9	-11.8	0	0	0	114.4	Y14 P104 V116	Y14-N106 PolarHBondContact O-ND2 2.89Å; P104-N106 PolarHBondContact O-N 3.29Å; N106-V116 PolarHBondContact N-O 3.25Å
107	V	88.3	Confident	87.6	Confident	20 Å²	20	66.5 Å²	66.5	12%	0.121	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.8	175.9	-175.8	0	0	0	0	109.5	L115 V116 L121 I131	V107-L115 CarbonylContact O-C 3.57Å; V107-L115 WeakPolarHBondContact O-CA 3.41Å; V107-V116 HydrophobicContact CB-CG2 4.14Å; V107-V116 HydrophobicContact CG1-CG2 4.39Å; V107-V116 PolarHBondContact N-O 3.1Å; V107-V116 VanDerWaalsContact N-O 3.09Å; V107-V116 PolarHBondContact O-N 3.31Å; V107-L121 HydrophobicContact CB-CD1 3.95Å; V107-L121 HydrophobicContact CG1-CD1 3.74Å; V107-L121 HydrophobicContact CG2-CD1 3.92Å; V107-I131 HydrophobicContact CG1-CB 3.67Å; V107-I131 HydrophobicContact CG1-CD1 4Å; V107-I131 HydrophobicContact CG1-CG1 4.35Å; V107-I131 HydrophobicContact CG1-CG2 3.87Å
108	Y	92.6	Very high	87.6	Confident	33 Å²	33	66.9 Å²	66.9	13%	0.129	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.4	174.2	-169.8	-100.1	0	0	0	110.5	L110 K113 L115 I131 D132 A137 E141	Y108-L110 HydrophobicContact CD1-CD2 3.89Å; Y108-L110 HydrophobicContact CE1-CD2 4.1Å; Y108-K113 VanDerWaalsContact CZ-C 3.48Å; Y108-K113 VanDerWaalsContact OH-C 3.25Å; Y108-K113 WeakPolarHBondContact OH-CA 3.28Å; Y108-K113 WeakPolarHBondContact OH-CB 3.29Å; Y108-K113 PolarHBondContact OH-O 3.24Å; Y108-L115 HydrophobicContact CD2-CD2 3.99Å; Y108-L115 HydrophobicContact CD2-CG 4.39Å; Y108-I131 VanDerWaalsContact O-CA 3.31Å; Y108-I131 WeakPolarHBondContact O-CA 3.31Å; Y108-D132 PolarHBondContact N-O 3.38Å; Y108-D132 PolarHBondContact O-N 3.42Å; Y108-A137 VanDerWaalsContact CB-CB 3.42Å; Y108-A137 HydrophobicContact CD1-CB 3.62Å; Y108-A137 HydrophobicContact CD2-CB 4.37Å; Y108-A137 HydrophobicContact CE1-CB 4.45Å; Y108-A137 HydrophobicContact CG-CB 3.56Å; Y108-E141 HydrophobicContact CE1-CG 4.49Å
109	C	93.6	Very high	87.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.2	174	-175.9	0	0	0	0	109.6	D112 K113 K114 V116 H129	C109-D112 HydrophobicContact CB-CB 4.46Å; C109-D112 PolarHBondContact SG-OD2 3.07Å; C109-K113 VanDerWaalsContact O-CA 3.28Å; C109-K113 WeakPolarHBondContact O-CA 3.33Å; C109-K113 PolarHBondContact O-N 2.89Å; C109-K114 PolarHBondContact N-O 2.97Å; C109-K114 PolarHBondContact O-N 3.43Å; C109-V116 HydrophobicContact CB-CG1 4.14Å; C109-V116 HydrophobicContact CB-CG2 4.18Å; C109-H129 VanDerWaalsContact SG-CB 3.54Å
110	L	91.2	Very high	87.7	Confident	59 Å²	59	57.9 Å²	57.9	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-30.4	-175.4	-66.6	172.2	0	0	0	113.3	Y108 P130 D132	Y108-L110 HydrophobicContact CD1-CD2 3.89Å; Y108-L110 HydrophobicContact CE1-CD2 4.1Å; L110-P130 HydrophobicContact CB-CB 4.41Å; L110-P130 HydrophobicContact CB-CG 4.26Å; L110-P130 WeakPolarHBondContact CB-O 3.46Å; L110-P130 HydrophobicContact CD1-CB 4.34Å; L110-P130 PolarHBondContact N-O 3.44Å; L110-D132 HydrophobicContact CD2-CB 4.4Å; L110-D132 WeakPolarHBondContact CD2-OD2 3.46Å
111	L	93	Very high	88	Confident	109 Å²	109	57.2 Å²	57.2	57%	0.571	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-49.4	178	-175.2	61.9	0	0	0	111.4	H129 P130	L111-H129 HydrophobicContact CB-CB 4.5Å; L111-P130 HydrophobicContact CB-CG 4.28Å
112	D	92.6	Very high	88	Confident	65 Å²	65	52.6 Å²	52.6	35%	0.348	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.4	-176	-55.6	-66.9	0	0	0	114	C109 K114 H126 H129	C109-D112 HydrophobicContact CB-CB 4.46Å; C109-D112 PolarHBondContact SG-OD2 3.07Å; D112-K114 VanDerWaalsContact C-N 3.32Å; D112-K114 HydrophobicContact CB-CD 4.12Å; D112-K114 HydrophobicContact CB-CG 3.97Å; D112-K114 PolarHBondContact O-N 3.49Å; D112-H126 IonicContact OD2-CE1 3.2Å; D112-H126 PolarHBondContact OD2-CE1 2.93Å; D112-H126 IonicContact OD2-ND1 2.69Å; D112-H126 PolarHBondContact OD2-ND1 3.42Å; D112-H129 IonicContact OD1-CE1 3.96Å; D112-H129 IonicContact OD2-CE1 2.77Å; D112-H129 PolarHBondContact OD2-CE1 2.93Å; D112-H129 IonicContact OD2-CG 2.96Å; D112-H129 IonicContact OD2-ND1 3.99Å; D112-H129 PolarHBondContact OD2-ND1 3.21Å
113	K	92	Very high	88.3	Confident	133 Å²	133	50 Å²	50	58%	0.578	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	45.3	179.9	-63.1	-169.4	175.1	-162.3	0	114.2	Y108 C109	Y108-K113 VanDerWaalsContact CZ-C 3.48Å; Y108-K113 VanDerWaalsContact OH-C 3.25Å; Y108-K113 WeakPolarHBondContact OH-CA 3.28Å; Y108-K113 WeakPolarHBondContact OH-CB 3.29Å; Y108-K113 PolarHBondContact OH-O 3.24Å; C109-K113 VanDerWaalsContact O-CA 3.28Å; C109-K113 WeakPolarHBondContact O-CA 3.33Å; C109-K113 PolarHBondContact O-N 2.89Å
114	K	91.9	Very high	88.7	Confident	89 Å²	89	49.9 Å²	49.9	39%	0.387	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.4	-177.4	68.9	-176.3	-176.9	179.9	0	113	C109 D112 V116 H126	C109-K114 PolarHBondContact N-O 2.97Å; C109-K114 PolarHBondContact O-N 3.43Å; D112-K114 VanDerWaalsContact C-N 3.32Å; D112-K114 HydrophobicContact CB-CD 4.12Å; D112-K114 HydrophobicContact CB-CG 3.97Å; D112-K114 PolarHBondContact O-N 3.49Å; K114-V116 HydrophobicContact CG-CG1 4.01Å; K114-H126 WeakPolarHBondContact CE-CE1 3.48Å; K114-H126 WeakPolarHBondContact CE-NE2 3.38Å; K114-H126 PolarHBondContact NZ-CE1 3.4Å; K114-H126 PolarHBondContact NZ-NE2 3.49Å
115	L	91.6	Very high	89	Confident	78 Å²	78	57 Å²	57	41%	0.408	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.1	171.4	-65.7	172.7	0	0	0	110.7	L105 V107 Y108 L134	L105-L115 HydrophobicContact CB-CB 4.1Å; L105-L115 HydrophobicContact CD1-CB 4.19Å; V107-L115 CarbonylContact O-C 3.57Å; V107-L115 WeakPolarHBondContact O-CA 3.41Å; Y108-L115 HydrophobicContact CD2-CD2 3.99Å; Y108-L115 HydrophobicContact CD2-CG 4.39Å; L115-L134 HydrophobicContact CD2-CD2 3.23Å
116	V	92.2	Very high	89.1	Confident	3 Å²	3	56 Å²	56	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157.5	-178.4	-60.2	0	0	0	0	110.2	N106 V107 C109 K114 C120 L121	N106-V116 PolarHBondContact N-O 3.25Å; V107-V116 HydrophobicContact CB-CG2 4.14Å; V107-V116 HydrophobicContact CG1-CG2 4.39Å; V107-V116 PolarHBondContact N-O 3.1Å; V107-V116 VanDerWaalsContact N-O 3.09Å; V107-V116 PolarHBondContact O-N 3.31Å; C109-V116 HydrophobicContact CB-CG1 4.14Å; C109-V116 HydrophobicContact CB-CG2 4.18Å; K114-V116 HydrophobicContact CG-CG1 4.01Å; V116-C120 HydrophobicContact CB-CB 3.89Å; V116-C120 HydrophobicContact CG1-CB 4.48Å; V116-L121 HydrophobicContact CG2-CD1 4.48Å; V116-L121 HydrophobicContact CG2-CD2 3.77Å; V116-L121 HydrophobicContact CG2-CG 4.08Å
117	C	89.3	Confident	89.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.311	C	S	.	.			trans	-97.2	170.1	174.3	71.6	0	0	0	0	111.7	C97 H100 Q103 P104 L105 H119 C120 L121	C97-C117 HydrophobicContact CB-CB 3.92Å; C97-C117 VanDerWaalsContact SG-SG 3.63Å; H100-C117 PolarHBondContact ND1-SG 3.26Å; H100-C117 VanDerWaalsContact ND1-SG 3.42Å; Q103-C117 HydrophobicContact CB-CB 3.78Å; P104-C117 WeakPolarHBondContact O-CA 3.48Å; P104-C117 WeakPolarHBondContact O-CB 3.4Å; L105-C117 HydrophobicContact CD2-CB 4.33Å; C117-H119 VanDerWaalsContact C-N 3.27Å; C117-H119 PolarHBondContact O-N 2.86Å; C117-C120 VanDerWaalsContact O-CB 3.3Å; C117-C120 WeakPolarHBondContact O-CB 3.32Å; C117-C120 PolarHBondContact O-N 3.21Å; C117-C120 VanDerWaalsContact O-N 3.09Å; C117-C120 VanDerWaalsContact SG-SG 3.64Å; C117-L121 PolarHBondContact O-N 2.98Å
118	G	85.9	Confident	89.3	Confident	18 Å²	18	63.2 Å²	63.2	19%	0.186	34%	0.341	C	S	.	.	H	α-helix	trans	-58.4	-32.5	178.8	0	0	0	0	0	114.7	L121 T122	G118-L121 PolarHBondContact O-N 3.1Å; G118-T122 WeakPolarHBondContact O-CG2 3.08Å; G118-T122 PolarHBondContact O-N 3.37Å; G118-T122 VanDerWaalsContact O-N 3.1Å; G118-T122 PolarHBondContact O-OG1 2.91Å
119	H	85.9	Confident	89.4	Confident	69 Å²	69	64.3 Å²	64.3	32%	0.319	35%	0.347	S	S	.	.	H	α-helix	trans	-67.9	-38.6	176.3	-74.2	79.6	0	0	0	111.9	H100 Q103 C117 L121 T122 I123 G124	H100-H119 HydrophobicContact CB-CB 4.31Å; Q103-H119 WeakPolarHBondContact CG-ND1 3.42Å; Q103-H119 PolarHBondContact OE1-CE1 2.72Å; Q103-H119 PolarHBondContact OE1-ND1 3.39Å; C117-H119 VanDerWaalsContact C-N 3.27Å; C117-H119 PolarHBondContact O-N 2.86Å; H119-L121 PolarHBondContact O-N 2.88Å; H119-T122 PolarHBondContact O-N 3.38Å; H119-T122 PolarHBondContact O-OG1 3.48Å; H119-I123 WeakPolarHBondContact O-CG1 3.47Å; H119-I123 PolarHBondContact O-N 3.41Å; H119-G124 PolarHBondContact O-N 2.93Å
120	C	89.5	Confident	89.3	Confident	13 Å²	13	67.8 Å²	67.8	9%	0.088	37%	0.37	C	S	.	.	H	α-helix	trans	-57.1	-33.5	174.1	-72.4	0	0	0	0	112.8	H100 V116 C117 G124 H126	H100-C120 PolarHBondContact CE1-SG 3.16Å; H100-C120 PolarHBondContact ND1-SG 3.48Å; H100-C120 VanDerWaalsContact ND1-SG 3.38Å; V116-C120 HydrophobicContact CB-CB 3.89Å; V116-C120 HydrophobicContact CG1-CB 4.48Å; C117-C120 VanDerWaalsContact O-CB 3.3Å; C117-C120 WeakPolarHBondContact O-CB 3.32Å; C117-C120 PolarHBondContact O-N 3.21Å; C117-C120 VanDerWaalsContact O-N 3.09Å; C117-C120 VanDerWaalsContact SG-SG 3.64Å; C120-G124 CarbonylContact O-C 3.56Å; C120-G124 VanDerWaalsContact O-CA 3.29Å; C120-G124 WeakPolarHBondContact O-CA 3.33Å; C120-G124 PolarHBondContact O-N 2.95Å; C120-H126 HydrophobicContact CB-CB 4.49Å; C120-H126 WeakPolarHBondContact O-CA 3.4Å; C120-H126 WeakPolarHBondContact O-CB 3.38Å; C120-H126 PolarHBondContact O-N 3.25Å
121	L	88.4	Confident	89.4	Confident	29 Å²	29	68.8 Å²	68.8	15%	0.152	38%	0.375	C	S	.	.	H	α-helix	trans	-84.8	-33.7	-177.9	-61.1	173.7	0	0	0	113.4	V107 V116 C117 G118 H119 H126 H127 I131	V107-L121 HydrophobicContact CB-CD1 3.95Å; V107-L121 HydrophobicContact CG1-CD1 3.74Å; V107-L121 HydrophobicContact CG2-CD1 3.92Å; V116-L121 HydrophobicContact CG2-CD1 4.48Å; V116-L121 HydrophobicContact CG2-CD2 3.77Å; V116-L121 HydrophobicContact CG2-CG 4.08Å; C117-L121 PolarHBondContact O-N 2.98Å; G118-L121 PolarHBondContact O-N 3.1Å; H119-L121 PolarHBondContact O-N 2.88Å; L121-H126 HydrophobicContact CD2-CB 3.88Å; L121-H127 VanDerWaalsContact O-CA 3.27Å; L121-H127 WeakPolarHBondContact O-CA 3.5Å; L121-H127 PolarHBondContact O-ND1 3.49Å; L121-H127 VanDerWaalsContact O-ND1 3.11Å; L121-I131 HydrophobicContact CD1-CD1 4.02Å; L121-I131 HydrophobicContact CD1-CG2 4.29Å; L121-I131 HydrophobicContact CD2-CG2 3.48Å; L121-I131 VanDerWaalsContact CD2-CG2 3.48Å
122	T	81.7	Confident	89.3	Confident	87 Å²	87	65 Å²	65	53%	0.534	36%	0.355	S	S	.	.	H	α-helix	trans	-90.3	-44.1	-171	46.4	0	0	0	0	112.1	G118 H119 H127	G118-T122 WeakPolarHBondContact O-CG2 3.08Å; G118-T122 PolarHBondContact O-N 3.37Å; G118-T122 VanDerWaalsContact O-N 3.1Å; G118-T122 PolarHBondContact O-OG1 2.91Å; H119-T122 PolarHBondContact O-N 3.38Å; H119-T122 PolarHBondContact O-OG1 3.48Å; T122-H127 PolarHBondContact O-ND1 3.23Å
123	I	83.3	Confident	89	Confident	133 Å²	133	65.7 Å²	65.7	68%	0.682	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-10	-176.4	60.7	170.7	0	0	0	113.1	H119	H119-I123 WeakPolarHBondContact O-CG1 3.47Å; H119-I123 PolarHBondContact O-N 3.41Å
124	G	84.9	Confident	88.7	Confident	23 Å²	23	62.9 Å²	62.9	24%	0.237	35%	0.349	C	S	.	.	S	Bend	trans	-93.6	-166.6	-178	0	0	0	0	0	114.3	H119 C120 H126 H127	H119-G124 PolarHBondContact O-N 2.93Å; C120-G124 CarbonylContact O-C 3.56Å; C120-G124 VanDerWaalsContact O-CA 3.29Å; C120-G124 WeakPolarHBondContact O-CA 3.33Å; C120-G124 PolarHBondContact O-N 2.95Å; G124-H126 PolarHBondContact O-N 3.33Å; G124-H127 PolarHBondContact O-N 2.93Å
125	Q	88.1	Confident	88.5	Confident	171 Å²	171	63.9 Å²	63.9	80%	0.799	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-8	-172.2	-64.1	178.4	-2	0	0	114.9
126	H	90.8	Very high	88.3	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.046	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	16.8	-179.5	-62.1	-74.7	0	0	0	112	D112 K114 C120 L121 G124 G128 H129	D112-H126 IonicContact OD2-CE1 3.2Å; D112-H126 PolarHBondContact OD2-CE1 2.93Å; D112-H126 IonicContact OD2-ND1 2.69Å; D112-H126 PolarHBondContact OD2-ND1 3.42Å; K114-H126 WeakPolarHBondContact CE-CE1 3.48Å; K114-H126 WeakPolarHBondContact CE-NE2 3.38Å; K114-H126 PolarHBondContact NZ-CE1 3.4Å; K114-H126 PolarHBondContact NZ-NE2 3.49Å; C120-H126 HydrophobicContact CB-CB 4.49Å; C120-H126 WeakPolarHBondContact O-CA 3.4Å; C120-H126 WeakPolarHBondContact O-CB 3.38Å; C120-H126 PolarHBondContact O-N 3.25Å; L121-H126 HydrophobicContact CD2-CB 3.88Å; G124-H126 PolarHBondContact O-N 3.33Å; H126-G128 PolarHBondContact O-N 2.87Å; H126-H129 AromaticContact ND1-ND1 3.59Å; H126-H129 PolarHBondContact O-N 3.2Å
127	H	89.8	Confident	88.2	Confident	132 Å²	132	62.5 Å²	62.5	61%	0.611	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	121.9	179.3	-171	79.7	0	0	0	111.8	L121 T122 G124 H129	L121-H127 VanDerWaalsContact O-CA 3.27Å; L121-H127 WeakPolarHBondContact O-CA 3.5Å; L121-H127 PolarHBondContact O-ND1 3.49Å; L121-H127 VanDerWaalsContact O-ND1 3.11Å; T122-H127 PolarHBondContact O-ND1 3.23Å; G124-H127 PolarHBondContact O-N 2.93Å; H127-H129 VanDerWaalsContact C-N 3.29Å; H127-H129 PolarHBondContact O-N 2.92Å
128	G	87	Confident	88.3	Confident	74 Å²	74	68.2 Å²	68.2	76%	0.763	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	3.4	-179.8	0	0	0	0	0	115.3	H126	H126-G128 PolarHBondContact O-N 2.87Å
129	H	93.9	Very high	88.5	Confident	56 Å²	56	73.7 Å²	73.7	26%	0.259	39%	0.394	S	S	.	.			trans	-73.1	148.6	173.5	-69.9	-170.2	0	0	0	111.3	C109 L111 D112 H126 H127	C109-H129 VanDerWaalsContact SG-CB 3.54Å; L111-H129 HydrophobicContact CB-CB 4.5Å; D112-H129 IonicContact OD1-CE1 3.96Å; D112-H129 IonicContact OD2-CE1 2.77Å; D112-H129 PolarHBondContact OD2-CE1 2.93Å; D112-H129 IonicContact OD2-CG 2.96Å; D112-H129 IonicContact OD2-ND1 3.99Å; D112-H129 PolarHBondContact OD2-ND1 3.21Å; H126-H129 AromaticContact ND1-ND1 3.59Å; H126-H129 PolarHBondContact O-N 3.2Å; H127-H129 VanDerWaalsContact C-N 3.29Å; H127-H129 PolarHBondContact O-N 2.92Å
130	P	92.4	Very high	88.7	Confident	72 Å²	72	76.1 Å²	76.1	47%	0.468	40%	0.404	S	S	.	.			trans	-66	134.5	172.5	28	-34	0	0	0	110.5	L110 L111	L110-P130 HydrophobicContact CB-CB 4.41Å; L110-P130 HydrophobicContact CB-CG 4.26Å; L110-P130 WeakPolarHBondContact CB-O 3.46Å; L110-P130 HydrophobicContact CD1-CB 4.34Å; L110-P130 PolarHBondContact N-O 3.44Å; L111-P130 HydrophobicContact CB-CG 4.28Å
131	I	93.3	Very high	88.8	Confident	81 Å²	81	78.2 Å²	78.2	42%	0.415	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.6	-175.7	59.5	172.8	0	0	0	111.8	V107 Y108 L121	V107-I131 HydrophobicContact CG1-CB 3.67Å; V107-I131 HydrophobicContact CG1-CD1 4Å; V107-I131 HydrophobicContact CG1-CG1 4.35Å; V107-I131 HydrophobicContact CG1-CG2 3.87Å; Y108-I131 VanDerWaalsContact O-CA 3.31Å; Y108-I131 WeakPolarHBondContact O-CA 3.31Å; L121-I131 HydrophobicContact CD1-CD1 4.02Å; L121-I131 HydrophobicContact CD1-CG2 4.29Å; L121-I131 HydrophobicContact CD2-CG2 3.48Å; L121-I131 VanDerWaalsContact CD2-CG2 3.48Å
132	D	90.8	Very high	89	Confident	29 Å²	29	82.1 Å²	82.1	16%	0.155	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.4	165.9	-83.5	-32.4	0	0	0	110	Y108 L110 A137 K140	Y108-D132 PolarHBondContact N-O 3.38Å; Y108-D132 PolarHBondContact O-N 3.42Å; L110-D132 HydrophobicContact CD2-CB 4.4Å; L110-D132 WeakPolarHBondContact CD2-OD2 3.46Å; D132-A137 HydrophobicContact CB-CB 4.04Å; D132-K140 VanDerWaalsContact CG-NZ 3.26Å; D132-K140 IonicContact OD1-NZ 3.52Å; D132-K140 PolarHBondContact OD1-NZ 2.9Å; D132-K140 VanDerWaalsContact OD1-NZ 3.11Å; D132-K140 VanDerWaalsContact OD2-CD 3.28Å; D132-K140 WeakPolarHBondContact OD2-CD 3.49Å; D132-K140 WeakPolarHBondContact OD2-CE 3.36Å; D132-K140 IonicContact OD2-NZ 3.59Å; D132-K140 PolarHBondContact OD2-NZ 3.42Å
133	D	87	Confident	89.5	Confident	79 Å²	79	81.9 Å²	81.9	42%	0.422	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	163.2	164.4	70.6	87.6	0	0	0	111.3	Q135 S136 A137	D133-Q135 VanDerWaalsContact C-N 3.31Å; D133-Q135 PolarHBondContact O-N 2.58Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.2Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.4Å; D133-Q135 PolarHBondContact OD1-N 2.84Å; D133-S136 PolarHBondContact O-N 3.11Å; D133-S136 PolarHBondContact OD1-N 3.28Å; D133-S136 PolarHBondContact OD1-OG 2.96Å; D133-S136 WeakPolarHBondContact OD2-CB 3.47Å; D133-S136 PolarHBondContact OD2-OG 3.48Å; D133-A137 WeakPolarHBondContact O-CB 3.32Å; D133-A137 PolarHBondContact O-N 3.11Å
134	L	86.1	Confident	90	Very high	74 Å²	74	77.5 Å²	77.5	39%	0.387	40%	0.403	S	S	.	.	H	α-helix	trans	-58.6	-39.5	-175.9	-60.9	-175.3	0	0	0	113.4	L115 Y138	L115-L134 HydrophobicContact CD2-CD2 3.23Å; L134-Y138 WeakPolarHBondContact O-CB 3.33Å; L134-Y138 PolarHBondContact O-N 2.93Å
135	Q	86	Confident	90.5	Very high	111 Å²	111	80.5 Å²	80.5	52%	0.519	42%	0.418	S	S	.	.	H	α-helix	trans	-70.8	-47.7	-177.6	-66.2	-64.1	-42.8	0	0	110	D133 A137 Y138 F139	D133-Q135 VanDerWaalsContact C-N 3.31Å; D133-Q135 PolarHBondContact O-N 2.58Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.2Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.4Å; D133-Q135 PolarHBondContact OD1-N 2.84Å; Q135-A137 PolarHBondContact O-N 3.19Å; Q135-Y138 WeakPolarHBondContact O-CB 3.32Å; Q135-Y138 PolarHBondContact O-N 3.46Å; Q135-F139 WeakPolarHBondContact O-CD2 3.41Å; Q135-F139 PolarHBondContact O-N 3.33Å
136	S	88.9	Confident	90.7	Very high	46 Å²	46	77.8 Å²	77.8	32%	0.322	41%	0.406	S	S	.	.	H	α-helix	trans	-60.7	-44.9	177.3	-64.8	0	0	0	0	112.2	D133 F139 K140	D133-S136 PolarHBondContact O-N 3.11Å; D133-S136 PolarHBondContact OD1-N 3.28Å; D133-S136 PolarHBondContact OD1-OG 2.96Å; D133-S136 WeakPolarHBondContact OD2-CB 3.47Å; D133-S136 PolarHBondContact OD2-OG 3.48Å; S136-F139 PolarHBondContact O-N 2.88Å; S136-K140 WeakPolarHBondContact O-CG 3.37Å; S136-K140 PolarHBondContact O-N 3.17Å; S136-K140 VanDerWaalsContact O-N 3.12Å
137	A	90.3	Very high	90.8	Very high	5 Å²	5	82.8 Å²	82.8	4%	0.041	43%	0.427	C	S	.	.	H	α-helix	trans	-64.4	-42.4	176.7	0	0	0	0	0	111.9	Y108 D132 D133 Q135 F139 K140 E141	Y108-A137 VanDerWaalsContact CB-CB 3.42Å; Y108-A137 HydrophobicContact CD1-CB 3.62Å; Y108-A137 HydrophobicContact CD2-CB 4.37Å; Y108-A137 HydrophobicContact CE1-CB 4.45Å; Y108-A137 HydrophobicContact CG-CB 3.56Å; D132-A137 HydrophobicContact CB-CB 4.04Å; D133-A137 WeakPolarHBondContact O-CB 3.32Å; D133-A137 PolarHBondContact O-N 3.11Å; Q135-A137 PolarHBondContact O-N 3.19Å; A137-F139 PolarHBondContact O-N 3.25Å; A137-K140 PolarHBondContact O-N 2.98Å; A137-E141 PolarHBondContact O-N 3.24Å
138	Y	89.8	Confident	91.1	Very high	121 Å²	121	80.8 Å²	80.8	48%	0.475	42%	0.42	S	S	.	.	H	α-helix	trans	-56.9	-51.9	174.8	171.5	-98.9	0	0	0	110.9	L134 Q135 K140 E141 K142	L134-Y138 WeakPolarHBondContact O-CB 3.33Å; L134-Y138 PolarHBondContact O-N 2.93Å; Q135-Y138 WeakPolarHBondContact O-CB 3.32Å; Q135-Y138 PolarHBondContact O-N 3.46Å; Y138-K140 PolarHBondContact O-N 3.25Å; Y138-E141 PolarHBondContact O-N 3.31Å; Y138-K142 HydrophobicContact CE1-CD 3.81Å; Y138-K142 HydrophobicContact CE1-CG 4.37Å; Y138-K142 HydrophobicContact CE2-CG 4.49Å; Y138-K142 WeakPolarHBondContact O-CA 3.27Å; Y138-K142 WeakPolarHBondContact O-CB 3.41Å; Y138-K142 PolarHBondContact O-N 3.47Å; Y138-K142 WeakPolarHBondContact OH-CE 3.35Å
139	F	91	Very high	91.4	Very high	133 Å²	133	82.3 Å²	82.3	58%	0.583	41%	0.411	S	S	*	.	H	α-helix	trans	-61.5	-32.7	179.7	-74.5	-65	0	0	0	113.1	Q135 S136 A137	Q135-F139 WeakPolarHBondContact O-CD2 3.41Å; Q135-F139 PolarHBondContact O-N 3.33Å; S136-F139 PolarHBondContact O-N 2.88Å; A137-F139 PolarHBondContact O-N 3.25Å
140	K	90.2	Very high	91.4	Very high	120 Å²	120	84.8 Å²	84.8	52%	0.522	42%	0.422	S	S	.	.	H	α-helix	trans	-72.7	-37.9	177.1	-72	173	-175	177	0	113.1	D132 S136 A137 Y138	D132-K140 VanDerWaalsContact CG-NZ 3.26Å; D132-K140 IonicContact OD1-NZ 3.52Å; D132-K140 PolarHBondContact OD1-NZ 2.9Å; D132-K140 VanDerWaalsContact OD1-NZ 3.11Å; D132-K140 VanDerWaalsContact OD2-CD 3.28Å; D132-K140 WeakPolarHBondContact OD2-CD 3.49Å; D132-K140 WeakPolarHBondContact OD2-CE 3.36Å; D132-K140 IonicContact OD2-NZ 3.59Å; D132-K140 PolarHBondContact OD2-NZ 3.42Å; S136-K140 WeakPolarHBondContact O-CG 3.37Å; S136-K140 PolarHBondContact O-N 3.17Å; S136-K140 VanDerWaalsContact O-N 3.12Å; A137-K140 PolarHBondContact O-N 2.98Å; Y138-K140 PolarHBondContact O-N 3.25Å
141	E	90.7	Very high	91.4	Very high	56 Å²	56	87.6 Å²	87.6	26%	0.262	43%	0.429	S	S	.	.	H	α-helix	trans	-98.4	-8.1	-175.5	-69.7	-69	166	0	0	113.8	Y108 A137 Y138 D143 T144 P145	Y108-E141 HydrophobicContact CE1-CG 4.49Å; A137-E141 PolarHBondContact O-N 3.24Å; Y138-E141 PolarHBondContact O-N 3.31Å; E141-D143 PolarHBondContact O-N 3.07Å; E141-D143 VanDerWaalsContact O-N 3.14Å; E141-T144 WeakPolarHBondContact O-CB 3.4Å; E141-T144 PolarHBondContact O-N 2.93Å; E141-T144 PolarHBondContact O-OG1 2.99Å; E141-T144 WeakPolarHBondContact OE2-CB 3.44Å; E141-T144 PolarHBondContact OE2-OG1 3.43Å; E141-P145 WeakPolarHBondContact O-CD 3.26Å
142	K	92.5	Very high	91.4	Very high	111 Å²	111	89.7 Å²	89.7	48%	0.483	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.2	-176.8	-177.7	178.4	-178.3	177.5	0	113.2	Y138 P145	Y138-K142 HydrophobicContact CE1-CD 3.81Å; Y138-K142 HydrophobicContact CE1-CG 4.37Å; Y138-K142 HydrophobicContact CE2-CG 4.49Å; Y138-K142 WeakPolarHBondContact O-CA 3.27Å; Y138-K142 WeakPolarHBondContact O-CB 3.41Å; Y138-K142 PolarHBondContact O-N 3.47Å; Y138-K142 WeakPolarHBondContact OH-CE 3.35Å; K142-P145 WeakPolarHBondContact O-CD 3.44Å
143	D	93.1	Very high	91.6	Very high	83 Å²	83	92.3 Å²	92.3	44%	0.444	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-7	-177.9	-59	-25.1	0	0	0	112.7	E141 Q146 K147	E141-D143 PolarHBondContact O-N 3.07Å; E141-D143 VanDerWaalsContact O-N 3.14Å; D143-Q146 PolarHBondContact O-N 2.94Å; D143-K147 PolarHBondContact O-N 3.3Å; D143-K147 VanDerWaalsContact O-N 3.12Å
144	T	93.9	Very high	91.8	Very high	40 Å²	40	91.9 Å²	91.9	25%	0.245	46%	0.456	C	S	.	.	H	α-helix	trans	-58.9	-45.1	-179.2	-63.3	0	0	0	0	112.5	E141 Q146 K147 L148	E141-T144 WeakPolarHBondContact O-CB 3.4Å; E141-T144 PolarHBondContact O-N 2.93Å; E141-T144 PolarHBondContact O-OG1 2.99Å; E141-T144 WeakPolarHBondContact OE2-CB 3.44Å; E141-T144 PolarHBondContact OE2-OG1 3.43Å; T144-Q146 VanDerWaalsContact C-N 3.29Å; T144-Q146 PolarHBondContact O-N 3.45Å; T144-K147 PolarHBondContact O-N 3.21Å; T144-L148 HydrophobicContact CG2-CD1 4.08Å; T144-L148 HydrophobicContact CG2-CG 4.34Å; T144-L148 WeakPolarHBondContact O-CG 3.28Å; T144-L148 PolarHBondContact O-N 3.24Å
145	P	94	Very high	92.1	Very high	87 Å²	87	93.3 Å²	93.3	57%	0.565	47%	0.467	S	S	*	.	H	α-helix	trans	-58.1	-38.5	175.5	-26.2	35.8	0	0	0	113.6	E141 K142 L148 L149	E141-P145 WeakPolarHBondContact O-CD 3.26Å; K142-P145 WeakPolarHBondContact O-CD 3.44Å; P145-L148 PolarHBondContact O-N 3.3Å; P145-L149 WeakPolarHBondContact O-CB 3.19Å; P145-L149 PolarHBondContact O-N 3.16Å
146	Q	93.4	Very high	92.5	Very high	114 Å²	114	93.3 Å²	93.3	53%	0.533	47%	0.467	S	S	.	.	H	α-helix	trans	-65.2	-44.8	177.3	-177.5	-179	-19.1	0	0	111.1	D143 T144 L148 L149 E150	D143-Q146 PolarHBondContact O-N 2.94Å; T144-Q146 VanDerWaalsContact C-N 3.29Å; T144-Q146 PolarHBondContact O-N 3.45Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; Q146-L148 PolarHBondContact O-N 3.5Å; Q146-L149 WeakPolarHBondContact O-CB 3.32Å; Q146-L149 PolarHBondContact O-N 2.8Å; Q146-L149 VanDerWaalsContact O-N 3.17Å; Q146-E150 PolarHBondContact NE2-OE1 2.87Å; Q146-E150 WeakPolarHBondContact O-CG 3.3Å; Q146-E150 PolarHBondContact O-N 3.45Å
147	K	93.6	Very high	92.7	Very high	115 Å²	115	98.1 Å²	98.1	50%	0.5	48%	0.478	S	S	.	.	H	α-helix	trans	-61.8	-39.8	177	-66.7	171.7	-173.9	168.8	0	112.2	D143 T144 E150 Q151	D143-K147 PolarHBondContact O-N 3.3Å; D143-K147 VanDerWaalsContact O-N 3.12Å; T144-K147 PolarHBondContact O-N 3.21Å; K147-E150 PolarHBondContact O-N 3.39Å; K147-Q151 WeakPolarHBondContact O-CG 3.39Å; K147-Q151 PolarHBondContact O-N 3.4Å; K147-Q151 VanDerWaalsContact O-N 3.09Å
148	L	94.8	Very high	93	Very high	89 Å²	89	101.7 Å²	101.7	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-66.4	-38.8	175.5	-68.7	174.3	0	0	0	111.6	T144 P145 Q146 Q151 L152	T144-L148 HydrophobicContact CG2-CD1 4.08Å; T144-L148 HydrophobicContact CG2-CG 4.34Å; T144-L148 WeakPolarHBondContact O-CG 3.28Å; T144-L148 PolarHBondContact O-N 3.24Å; P145-L148 PolarHBondContact O-N 3.3Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; Q146-L148 PolarHBondContact O-N 3.5Å; L148-Q151 PolarHBondContact O-N 3.15Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 2.97Å
149	L	94.7	Very high	93.3	Very high	107 Å²	107	100.6 Å²	100.6	56%	0.56	50%	0.502	S	S	*	.	H	α-helix	trans	-63.1	-45.2	175	-175.5	64.6	0	0	0	111.2	P145 Q146 Q151 L152 T153	P145-L149 WeakPolarHBondContact O-CB 3.19Å; P145-L149 PolarHBondContact O-N 3.16Å; Q146-L149 WeakPolarHBondContact O-CB 3.32Å; Q146-L149 PolarHBondContact O-N 2.8Å; Q146-L149 VanDerWaalsContact O-N 3.17Å; L149-Q151 VanDerWaalsContact C-N 3.27Å; L149-Q151 PolarHBondContact O-N 2.95Å; L149-L152 PolarHBondContact O-N 3.12Å; L149-T153 HydrophobicContact CD1-CG2 4.2Å; L149-T153 PolarHBondContact O-N 2.89Å; L149-T153 PolarHBondContact O-OG1 3.48Å
150	E	93.6	Very high	93.5	Very high	108 Å²	108	97.6 Å²	97.6	51%	0.505	49%	0.492	S	S	.	.	H	α-helix	trans	-58.6	-38.3	176	-73	169.1	-169.5	0	0	112	Q146 K147 D154	Q146-E150 PolarHBondContact NE2-OE1 2.87Å; Q146-E150 WeakPolarHBondContact O-CG 3.3Å; Q146-E150 PolarHBondContact O-N 3.45Å; K147-E150 PolarHBondContact O-N 3.39Å; E150-D154 PolarHBondContact O-N 2.93Å
151	Q	92.6	Very high	93.9	Very high	130 Å²	130	94.4 Å²	94.4	61%	0.607	48%	0.482	S	S	*	.	H	α-helix	trans	-67.5	-37.3	173.4	-72.1	177	4.5	0	0	113	K147 L148 L149 T153	K147-Q151 WeakPolarHBondContact O-CG 3.39Å; K147-Q151 PolarHBondContact O-N 3.4Å; K147-Q151 VanDerWaalsContact O-N 3.09Å; L148-Q151 PolarHBondContact O-N 3.15Å; L149-Q151 VanDerWaalsContact C-N 3.27Å; L149-Q151 PolarHBondContact O-N 2.95Å; Q151-T153 VanDerWaalsContact C-N 3.33Å
152	L	93.3	Very high	94.2	Very high	126 Å²	126	97.3 Å²	97.3	66%	0.66	50%	0.496	S	S	*	.	H	α-helix	trans	-75.7	-23.3	179.5	-73.2	172	0	0	0	113.1	L148 L149 W157	L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 2.97Å; L149-L152 PolarHBondContact O-N 3.12Å; L152-W157 WeakPolarHBondContact O-CB 3.36Å
153	T	93.1	Very high	94.5	Very high	83 Å²	83	96.3 Å²	96.3	51%	0.509	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	24	179.2	62	0	0	0	0	112.5	L149 Q151	L149-T153 HydrophobicContact CD1-CG2 4.2Å; L149-T153 PolarHBondContact O-N 2.89Å; L149-T153 PolarHBondContact O-OG1 3.48Å; Q151-T153 VanDerWaalsContact C-N 3.33Å
154	D	91.6	Very high	94.7	Very high	71 Å²	71	96.8 Å²	96.8	38%	0.38	50%	0.497	S	S	.	.	S	Bend	trans	-76.3	-168	179.5	75.6	-6.2	0	0	0	111.7	E150 H156 W157	E150-D154 PolarHBondContact O-N 2.93Å; D154-H156 PolarHBondContact O-N 3.2Å; D154-H156 WeakPolarHBondContact OD1-CA 3.47Å; D154-H156 WeakPolarHBondContact OD1-CB 3.38Å; D154-H156 PolarHBondContact OD1-N 3.38Å; D154-W157 WeakPolarHBondContact O-CB 3.42Å; D154-W157 PolarHBondContact O-N 3.49Å; D154-W157 VanDerWaalsContact O-N 3.12Å
155	T	92.9	Very high	94.9	Very high	103 Å²	103	100.4 Å²	100.4	63%	0.632	51%	0.511	S	S	*	.	H	α-helix	trans	-59.2	-28	178.2	50.9	0	0	0	0	113	W157 T158 D159	T155-W157 VanDerWaalsContact C-N 3.31Å; T155-W157 PolarHBondContact O-N 3.01Å; T155-T158 WeakPolarHBondContact CA-OG1 3.31Å; T155-T158 PolarHBondContact O-N 3.25Å; T155-T158 PolarHBondContact O-OG1 3.43Å; T155-D159 VanDerWaalsContact O-CG 3.24Å; T155-D159 PolarHBondContact O-N 2.93Å
156	H	94	Very high	95.1	Very high	111 Å²	111	101.7 Å²	101.7	51%	0.514	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-37	178.4	-172.3	54.7	0	0	0	111.3	D154 D159 L160	D154-H156 PolarHBondContact O-N 3.2Å; D154-H156 WeakPolarHBondContact OD1-CA 3.47Å; D154-H156 WeakPolarHBondContact OD1-CB 3.38Å; D154-H156 PolarHBondContact OD1-N 3.38Å; H156-D159 PolarHBondContact O-N 3Å; H156-L160 WeakPolarHBondContact O-CB 3.39Å; H156-L160 VanDerWaalsContact O-CG 3.3Å; H156-L160 WeakPolarHBondContact O-CG 3.44Å; H156-L160 PolarHBondContact O-N 3.04Å
157	W	94.4	Very high	95.4	Very high	147 Å²	147	101.3 Å²	101.3	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-62.5	-42.7	175.1	178.4	-102	0	0	0	112.7	L152 D154 T155 D159 L160 T161	L152-W157 WeakPolarHBondContact O-CB 3.36Å; D154-W157 WeakPolarHBondContact O-CB 3.42Å; D154-W157 PolarHBondContact O-N 3.49Å; D154-W157 VanDerWaalsContact O-N 3.12Å; T155-W157 VanDerWaalsContact C-N 3.31Å; T155-W157 PolarHBondContact O-N 3.01Å; W157-D159 VanDerWaalsContact C-N 3.35Å; W157-L160 PolarHBondContact O-N 3.14Å; W157-T161 PolarHBondContact O-N 2.77Å; W157-T161 PolarHBondContact O-OG1 2.93Å
158	T	94.9	Very high	95.6	Very high	80 Å²	80	101.8 Å²	101.8	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-39.7	176.2	51	0	0	0	0	111.6	T155 T161 H162	T155-T158 WeakPolarHBondContact CA-OG1 3.31Å; T155-T158 PolarHBondContact O-N 3.25Å; T155-T158 PolarHBondContact O-OG1 3.43Å; T158-T161 PolarHBondContact O-N 3.05Å; T158-H162 WeakPolarHBondContact O-CB 3.32Å; T158-H162 PolarHBondContact O-N 3.07Å
159	D	96.6	Very high	95.8	Very high	99 Å²	99	103.8 Å²	103.8	53%	0.529	52%	0.52	S	S	.	.	H	α-helix	trans	-65.3	-41.6	177	-69.9	-20.3	0	0	0	111.6	T155 H156 W157 L163	T155-D159 VanDerWaalsContact O-CG 3.24Å; T155-D159 PolarHBondContact O-N 2.93Å; H156-D159 PolarHBondContact O-N 3Å; W157-D159 VanDerWaalsContact C-N 3.35Å; D159-L163 WeakPolarHBondContact O-CB 3.43Å; D159-L163 PolarHBondContact O-N 3.42Å
160	L	96.6	Very high	96	Very high	69 Å²	69	103.4 Å²	103.4	36%	0.361	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-48	174.8	-76.4	174.5	0	0	0	111.3	H156 W157 L163 I164	H156-L160 WeakPolarHBondContact O-CB 3.39Å; H156-L160 VanDerWaalsContact O-CG 3.3Å; H156-L160 WeakPolarHBondContact O-CG 3.44Å; H156-L160 PolarHBondContact O-N 3.04Å; W157-L160 PolarHBondContact O-N 3.14Å; L160-L163 PolarHBondContact O-N 3.32Å; L160-I164 VanDerWaalsContact O-CG1 3.27Å; L160-I164 WeakPolarHBondContact O-CG1 3.48Å; L160-I164 PolarHBondContact O-N 3.5Å
161	T	96.8	Very high	96.2	Very high	53 Å²	53	104.4 Å²	104.4	33%	0.325	52%	0.518	S	S	.	.	H	α-helix	trans	-61.4	-48.4	180	-54	0	0	0	0	110.8	W157 T158 L163 I164 E165	W157-T161 PolarHBondContact O-N 2.77Å; W157-T161 PolarHBondContact O-OG1 2.93Å; T158-T161 PolarHBondContact O-N 3.05Å; T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 2.96Å; T161-I164 PolarHBondContact O-N 3.21Å; T161-E165 WeakPolarHBondContact O-CG 3.4Å; T161-E165 PolarHBondContact O-N 3Å
162	H	97.6	Very high	96.5	Very high	117 Å²	117	100.3 Å²	100.3	54%	0.542	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-37.2	177.2	176.2	-91.6	0	0	0	112.5	T158 E165 K166	T158-H162 WeakPolarHBondContact O-CB 3.32Å; T158-H162 PolarHBondContact O-N 3.07Å; H162-E165 PolarHBondContact O-N 3.32Å; H162-K166 WeakPolarHBondContact O-CB 3.41Å; H162-K166 PolarHBondContact O-N 3.36Å
163	L	98.3	Very high	96.7	Very high	90 Å²	90	99.1 Å²	99.1	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-39.3	176.8	-173.5	63	0	0	0	111.6	D159 L160 T161 K166 L167	D159-L163 WeakPolarHBondContact O-CB 3.43Å; D159-L163 PolarHBondContact O-N 3.42Å; L160-L163 PolarHBondContact O-N 3.32Å; T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 2.96Å; L163-K166 PolarHBondContact O-N 2.9Å; L163-L167 HydrophobicContact CD1-CG 4.47Å; L163-L167 HydrophobicContact CG-CD1 4.08Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 WeakPolarHBondContact O-CB 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 2.88Å
164	I	98.3	Very high	96.9	Very high	93 Å²	93	98.2 Å²	98.2	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-59.9	-52	174	-70.1	163.6	0	0	0	109.8	L160 T161 K166 L167 E168	L160-I164 VanDerWaalsContact O-CG1 3.27Å; L160-I164 WeakPolarHBondContact O-CG1 3.48Å; L160-I164 PolarHBondContact O-N 3.5Å; T161-I164 PolarHBondContact O-N 3.21Å; I164-K166 VanDerWaalsContact C-N 3.32Å; I164-K166 PolarHBondContact O-N 2.65Å; I164-L167 PolarHBondContact O-N 3.3Å; I164-L167 VanDerWaalsContact O-N 3.13Å; I164-E168 HydrophobicContact CG2-CG 4.41Å; I164-E168 WeakPolarHBondContact O-CG 3.26Å; I164-E168 PolarHBondContact O-N 2.89Å
165	E	98.4	Very high	97.3	Very high	116 Å²	116	100 Å²	100	54%	0.542	50%	0.497	S	S	.	.	H	α-helix	trans	-56.7	-45.7	178.7	-71	176	175.1	0	0	111.7	T161 H162 L167 E168 E169	T161-E165 WeakPolarHBondContact O-CG 3.4Å; T161-E165 PolarHBondContact O-N 3Å; H162-E165 PolarHBondContact O-N 3.32Å; E165-L167 PolarHBondContact O-N 3.48Å; E165-E168 PolarHBondContact O-N 3.33Å; E165-E169 WeakPolarHBondContact O-CB 3.47Å; E165-E169 PolarHBondContact O-N 3.43Å
166	K	98.4	Very high	97.5	Very high	114 Å²	114	102 Å²	102	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-42	177.3	-174	177.1	-178.7	178.8	0	112.1	H162 L163 I164 E169 Q170	H162-K166 WeakPolarHBondContact O-CB 3.41Å; H162-K166 PolarHBondContact O-N 3.36Å; L163-K166 PolarHBondContact O-N 2.9Å; I164-K166 VanDerWaalsContact C-N 3.32Å; I164-K166 PolarHBondContact O-N 2.65Å; K166-E169 PolarHBondContact O-N 3.14Å; K166-Q170 WeakPolarHBondContact O-CB 3.43Å; K166-Q170 VanDerWaalsContact O-CG 3.26Å; K166-Q170 WeakPolarHBondContact O-CG 3.41Å; K166-Q170 PolarHBondContact O-N 3.48Å
167	L	98.6	Very high	97.7	Very high	107 Å²	107	101.8 Å²	101.8	56%	0.56	50%	0.498	S	S	*	.	H	α-helix	trans	-66.1	-40.3	177.9	-75	170.7	0	0	0	111.5	L163 I164 E165 Q170 K171	L163-L167 HydrophobicContact CD1-CG 4.47Å; L163-L167 HydrophobicContact CG-CD1 4.08Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 WeakPolarHBondContact O-CB 3.28Å; L163-L167 WeakPolarHBondContact O-CG 3.47Å; L163-L167 PolarHBondContact O-N 2.88Å; I164-L167 PolarHBondContact O-N 3.3Å; I164-L167 VanDerWaalsContact O-N 3.13Å; E165-L167 PolarHBondContact O-N 3.48Å; L167-Q170 PolarHBondContact O-N 3.12Å; L167-K171 VanDerWaalsContact O-CB 3.31Å; L167-K171 WeakPolarHBondContact O-CB 3.44Å; L167-K171 PolarHBondContact O-N 3.05Å
168	E	98.5	Very high	97.9	Very high	125 Å²	125	98.5 Å²	98.5	58%	0.584	49%	0.494	S	S	*	.	H	α-helix	trans	-63.9	-42.8	175.3	-72.4	-177.9	159.2	0	0	111.8	I164 E165 K171 S172	I164-E168 HydrophobicContact CG2-CG 4.41Å; I164-E168 WeakPolarHBondContact O-CG 3.26Å; I164-E168 PolarHBondContact O-N 2.89Å; E165-E168 PolarHBondContact O-N 3.33Å; E168-K171 PolarHBondContact O-N 3.2Å; E168-S172 WeakPolarHBondContact O-CB 3.45Å; E168-S172 PolarHBondContact O-N 2.93Å
169	E	98.4	Very high	98.1	Very high	131 Å²	131	98.8 Å²	98.8	61%	0.612	49%	0.49	S	S	*	.	H	α-helix	trans	-60.9	-48.6	174.8	-173.4	-175.8	-169.1	0	0	111.2	E165 K166 K171 S172 H173	E165-E169 WeakPolarHBondContact O-CB 3.47Å; E165-E169 PolarHBondContact O-N 3.43Å; K166-E169 PolarHBondContact O-N 3.14Å; E169-K171 PolarHBondContact O-N 3.13Å; E169-S172 PolarHBondContact O-N 3.11Å; E169-H173 WeakPolarHBondContact O-CB 3.45Å; E169-H173 PolarHBondContact O-N 3.18Å
170	Q	98.4	Very high	98.2	Very high	98 Å²	98	95.5 Å²	95.5	46%	0.458	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-40.2	179.5	-71	-57.7	-62.6	0	0	112.4	K166 L167 H173 S174	K166-Q170 WeakPolarHBondContact O-CB 3.43Å; K166-Q170 VanDerWaalsContact O-CG 3.26Å; K166-Q170 WeakPolarHBondContact O-CG 3.41Å; K166-Q170 PolarHBondContact O-N 3.48Å; L167-Q170 PolarHBondContact O-N 3.12Å; Q170-H173 PolarHBondContact O-N 3.28Å; Q170-S174 WeakPolarHBondContact O-CB 3.32Å; Q170-S174 PolarHBondContact O-N 3.31Å; Q170-S174 PolarHBondContact O-OG 3.44Å
171	K	98.3	Very high	98.3	Very high	130 Å²	130	97.2 Å²	97.2	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-60.5	-51.1	173.5	178.6	-175	170.1	-173.4	0	110.5	L167 E168 E169 H173 S174 E175	L167-K171 VanDerWaalsContact O-CB 3.31Å; L167-K171 WeakPolarHBondContact O-CB 3.44Å; L167-K171 PolarHBondContact O-N 3.05Å; E168-K171 PolarHBondContact O-N 3.2Å; E169-K171 PolarHBondContact O-N 3.13Å; K171-H173 VanDerWaalsContact C-N 3.31Å; K171-H173 PolarHBondContact O-N 3.02Å; K171-S174 PolarHBondContact O-N 2.85Å; K171-E175 WeakPolarHBondContact CE-OE1 3.31Å; K171-E175 HydrophobicContact CG-CG 4.47Å; K171-E175 IonicContact NZ-OE1 3.31Å; K171-E175 WeakPolarHBondContact O-CG 3.38Å; K171-E175 PolarHBondContact O-N 3.19Å
172	S	98.5	Very high	98.3	Very high	44 Å²	44	100.2 Å²	100.2	31%	0.308	50%	0.497	S	S	.	.	H	α-helix	trans	-60.5	-40.9	-180	-173.5	0	0	0	0	112	E168 E169 E175 K176	E168-S172 WeakPolarHBondContact O-CB 3.45Å; E168-S172 PolarHBondContact O-N 2.93Å; E169-S172 PolarHBondContact O-N 3.11Å; S172-E175 PolarHBondContact O-N 3.05Å; S172-K176 WeakPolarHBondContact O-CB 3.5Å; S172-K176 VanDerWaalsContact O-CG 3.29Å; S172-K176 WeakPolarHBondContact O-CG 3.36Å; S172-K176 PolarHBondContact O-N 3.17Å
173	H	98.2	Very high	98.4	Very high	101 Å²	101	99.8 Å²	99.8	47%	0.468	50%	0.495	S	S	.	.	H	α-helix	trans	-60.5	-48.7	175.6	-179.3	72.1	0	0	0	111.6	E169 Q170 K171 E175 K176 M177	E169-H173 WeakPolarHBondContact O-CB 3.45Å; E169-H173 PolarHBondContact O-N 3.18Å; Q170-H173 PolarHBondContact O-N 3.28Å; K171-H173 VanDerWaalsContact C-N 3.31Å; K171-H173 PolarHBondContact O-N 3.02Å; H173-E175 PolarHBondContact O-N 3.49Å; H173-K176 PolarHBondContact O-N 2.99Å; H173-M177 WeakPolarHBondContact O-CG 3.36Å; H173-M177 PolarHBondContact O-N 3.47Å
174	S	97.9	Very high	98.4	Very high	63 Å²	63	100 Å²	100	44%	0.441	50%	0.5	S	S	.	.	H	α-helix	trans	-63	-41.8	179.4	-56.2	0	0	0	0	111.9	Q170 K171 K176 M177 V178	Q170-S174 WeakPolarHBondContact O-CB 3.32Å; Q170-S174 PolarHBondContact O-N 3.31Å; Q170-S174 PolarHBondContact O-OG 3.44Å; K171-S174 PolarHBondContact O-N 2.85Å; S174-K176 PolarHBondContact O-N 2.92Å; S174-M177 PolarHBondContact O-N 3.24Å; S174-V178 WeakPolarHBondContact O-CG2 3.43Å; S174-V178 PolarHBondContact O-N 2.92Å
175	E	98.4	Very high	98.4	Very high	109 Å²	109	99.5 Å²	99.5	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-41.1	175.9	-74.2	174.7	160.3	0	0	111.9	K171 S172 H173 V178 Q179	K171-E175 WeakPolarHBondContact CE-OE1 3.31Å; K171-E175 HydrophobicContact CG-CG 4.47Å; K171-E175 IonicContact NZ-OE1 3.31Å; K171-E175 WeakPolarHBondContact O-CG 3.38Å; K171-E175 PolarHBondContact O-N 3.19Å; S172-E175 PolarHBondContact O-N 3.05Å; H173-E175 PolarHBondContact O-N 3.49Å; E175-V178 PolarHBondContact O-N 3.09Å; E175-Q179 WeakPolarHBondContact O-CB 3.43Å; E175-Q179 PolarHBondContact O-N 3.16Å
176	K	98.4	Very high	98.4	Very high	145 Å²	145	100 Å²	100	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-63.9	-40	175.2	-75	171.1	-175.9	170.1	0	112.2	S172 H173 S174 Q179 G180	S172-K176 WeakPolarHBondContact O-CB 3.5Å; S172-K176 VanDerWaalsContact O-CG 3.29Å; S172-K176 WeakPolarHBondContact O-CG 3.36Å; S172-K176 PolarHBondContact O-N 3.17Å; H173-K176 PolarHBondContact O-N 2.99Å; S174-K176 PolarHBondContact O-N 2.92Å; K176-Q179 PolarHBondContact O-N 2.94Å; K176-G180 PolarHBondContact O-N 3.4Å
177	M	98.3	Very high	98.4	Very high	106 Å²	106	98.9 Å²	98.9	52%	0.522	50%	0.503	S	S	.	.	H	α-helix	trans	-60.9	-49.2	174.9	-71.3	-175.8	66.3	0	0	111.3	H173 S174 Q179 G180 D181	H173-M177 WeakPolarHBondContact O-CG 3.36Å; H173-M177 PolarHBondContact O-N 3.47Å; S174-M177 PolarHBondContact O-N 3.24Å; M177-Q179 VanDerWaalsContact C-N 3.27Å; M177-Q179 PolarHBondContact O-N 3.03Å; M177-G180 PolarHBondContact O-N 3.09Å; M177-G180 VanDerWaalsContact O-N 3.17Å; M177-D181 PolarHBondContact O-N 3.33Å
178	V	98.4	Very high	98.3	Very high	79 Å²	79	99.6 Å²	99.6	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-60.1	-39.7	177.4	171.9	0	0	0	0	111.3	S174 E175 D181 K182	S174-V178 WeakPolarHBondContact O-CG2 3.43Å; S174-V178 PolarHBondContact O-N 2.92Å; E175-V178 PolarHBondContact O-N 3.09Å; V178-D181 PolarHBondContact O-N 3.36Å; V178-K182 WeakPolarHBondContact O-CG 3.41Å; V178-K182 PolarHBondContact O-N 2.9Å
179	Q	98.3	Very high	98.2	Very high	86 Å²	86	99.6 Å²	99.6	40%	0.402	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-41.4	177.2	-175.5	55.5	33.2	0	0	112	E175 K176 M177 K182 E183	E175-Q179 WeakPolarHBondContact O-CB 3.43Å; E175-Q179 PolarHBondContact O-N 3.16Å; K176-Q179 PolarHBondContact O-N 2.94Å; M177-Q179 VanDerWaalsContact C-N 3.27Å; M177-Q179 PolarHBondContact O-N 3.03Å; Q179-K182 WeakPolarHBondContact O-CB 3.48Å; Q179-K182 PolarHBondContact O-N 3.05Å; Q179-E183 PolarHBondContact NE2-OE1 2.94Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 3.25Å; Q179-E183 VanDerWaalsContact O-N 3.08Å
180	G	98.5	Very high	98.2	Very high	29 Å²	29	99.3 Å²	99.3	30%	0.299	49%	0.494	S	S	.	.	H	α-helix	trans	-59.5	-45.9	173.2	0	0	0	0	0	112.3	K176 M177 K182 E183 V184	K176-G180 PolarHBondContact O-N 3.4Å; M177-G180 PolarHBondContact O-N 3.09Å; M177-G180 VanDerWaalsContact O-N 3.17Å; G180-K182 VanDerWaalsContact C-N 3.34Å; G180-K182 PolarHBondContact O-N 2.67Å; G180-E183 WeakPolarHBondContact O-CB 3.46Å; G180-E183 PolarHBondContact O-N 3.48Å; G180-E183 VanDerWaalsContact O-N 3.15Å; G180-V184 WeakPolarHBondContact O-CG2 3.09Å; G180-V184 PolarHBondContact O-N 3.27Å
181	D	98.4	Very high	98.1	Very high	106 Å²	106	99.6 Å²	99.6	57%	0.567	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-38.3	178	-73.9	-14.2	0	0	0	112.2	M177 V178 E183 V184 V185	M177-D181 PolarHBondContact O-N 3.33Å; V178-D181 PolarHBondContact O-N 3.36Å; D181-E183 VanDerWaalsContact C-N 3.32Å; D181-E183 PolarHBondContact O-N 3.24Å; D181-V184 PolarHBondContact O-N 3.28Å; D181-V185 WeakPolarHBondContact O-CG2 3.25Å; D181-V185 PolarHBondContact O-N 3.17Å
182	K	98.4	Very high	98	Very high	116 Å²	116	94.9 Å²	94.9	50%	0.504	48%	0.476	S	S	.	.	H	α-helix	trans	-58.5	-45	172.4	-75.4	173	-177	172.9	0	111.4	V178 Q179 G180 V185 L186	V178-K182 WeakPolarHBondContact O-CG 3.41Å; V178-K182 PolarHBondContact O-N 2.9Å; Q179-K182 WeakPolarHBondContact O-CB 3.48Å; Q179-K182 PolarHBondContact O-N 3.05Å; G180-K182 VanDerWaalsContact C-N 3.34Å; G180-K182 PolarHBondContact O-N 2.67Å; K182-V185 PolarHBondContact O-N 2.95Å; K182-L186 VanDerWaalsContact O-CG 3.3Å; K182-L186 WeakPolarHBondContact O-CG 3.48Å; K182-L186 PolarHBondContact O-N 3.41Å
183	E	98.6	Very high	97.9	Very high	108 Å²	108	97.4 Å²	97.4	51%	0.505	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-40.9	178.9	-72.9	168	-161.9	0	0	111.7	Q179 G180 D181 V185 L186 Q187	Q179-E183 PolarHBondContact NE2-OE1 2.94Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 3.25Å; Q179-E183 VanDerWaalsContact O-N 3.08Å; G180-E183 WeakPolarHBondContact O-CB 3.46Å; G180-E183 PolarHBondContact O-N 3.48Å; G180-E183 VanDerWaalsContact O-N 3.15Å; D181-E183 VanDerWaalsContact C-N 3.32Å; D181-E183 PolarHBondContact O-N 3.24Å; E183-V185 PolarHBondContact O-N 3.44Å; E183-L186 PolarHBondContact O-N 3.39Å; E183-Q187 VanDerWaalsContact O-CB 3.3Å; E183-Q187 WeakPolarHBondContact O-CB 3.48Å; E183-Q187 PolarHBondContact O-N 3.11Å
184	V	98.5	Very high	97.9	Very high	95 Å²	95	96.9 Å²	96.9	58%	0.576	49%	0.487	S	S	*	.	H	α-helix	trans	-59.5	-46.7	174.3	171.7	0	0	0	0	111.2	G180 D181 Q187 Y188	G180-V184 WeakPolarHBondContact O-CG2 3.09Å; G180-V184 PolarHBondContact O-N 3.27Å; D181-V184 PolarHBondContact O-N 3.28Å; V184-Q187 PolarHBondContact O-N 3.3Å; V184-Y188 WeakPolarHBondContact O-CB 3.43Å; V184-Y188 PolarHBondContact O-N 3.27Å
185	V	98.3	Very high	97.8	Very high	82 Å²	82	95.2 Å²	95.2	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-61.3	-48.9	177.9	171.4	0	0	0	0	110.8	D181 K182 E183 Q187 Y188 F189	D181-V185 WeakPolarHBondContact O-CG2 3.25Å; D181-V185 PolarHBondContact O-N 3.17Å; K182-V185 PolarHBondContact O-N 2.95Å; E183-V185 PolarHBondContact O-N 3.44Å; V185-Q187 VanDerWaalsContact C-N 3.32Å; V185-Q187 PolarHBondContact O-N 3.12Å; V185-Y188 PolarHBondContact O-N 3.37Å; V185-F189 HydrophobicContact CG1-CD2 3.96Å; V185-F189 HydrophobicContact CG1-CE2 4.15Å; V185-F189 WeakPolarHBondContact O-CD2 3.44Å; V185-F189 PolarHBondContact O-N 3.27Å; V185-F189 VanDerWaalsContact O-N 3.14Å
186	L	98.4	Very high	97.6	Very high	126 Å²	126	93 Å²	93	66%	0.66	47%	0.466	S	S	*	.	H	α-helix	trans	-60	-44.1	179.7	-71.9	173	0	0	0	111.7	K182 E183 K190	K182-L186 VanDerWaalsContact O-CG 3.3Å; K182-L186 WeakPolarHBondContact O-CG 3.48Å; K182-L186 PolarHBondContact O-N 3.41Å; E183-L186 PolarHBondContact O-N 3.39Å; L186-K190 VanDerWaalsContact O-CB 3.28Å; L186-K190 WeakPolarHBondContact O-CB 3.47Å; L186-K190 PolarHBondContact O-N 3.19Å
187	Q	98.2	Very high	97.5	Very high	91 Å²	91	90.6 Å²	90.6	43%	0.425	46%	0.457	S	S	.	.	H	α-helix	trans	-66	-43.9	-179.9	-175.1	58.8	28.2	0	0	111.7	E183 V184 V185 F189 K190 E191	E183-Q187 VanDerWaalsContact O-CB 3.3Å; E183-Q187 WeakPolarHBondContact O-CB 3.48Å; E183-Q187 PolarHBondContact O-N 3.11Å; V184-Q187 PolarHBondContact O-N 3.3Å; V185-Q187 VanDerWaalsContact C-N 3.32Å; V185-Q187 PolarHBondContact O-N 3.12Å; Q187-F189 PolarHBondContact O-N 3.1Å; Q187-K190 PolarHBondContact O-N 3.39Å; Q187-E191 PolarHBondContact NE2-OE1 2.93Å; Q187-E191 WeakPolarHBondContact O-CG 3.35Å; Q187-E191 PolarHBondContact O-N 3.01Å
188	Y	97	Very high	97.4	Very high	122 Å²	122	91.7 Å²	91.7	48%	0.478	46%	0.46	S	S	.	.	H	α-helix	trans	-58.2	-49.2	178.2	179.2	-95.1	0	0	0	112.2	V184 V185 K190 E191 L192	V184-Y188 WeakPolarHBondContact O-CB 3.43Å; V184-Y188 PolarHBondContact O-N 3.27Å; V185-Y188 PolarHBondContact O-N 3.37Å; Y188-K190 VanDerWaalsContact C-N 3.35Å; Y188-K190 PolarHBondContact O-N 2.85Å; Y188-E191 PolarHBondContact O-N 2.83Å; Y188-L192 WeakPolarHBondContact O-CB 3.48Å; Y188-L192 PolarHBondContact O-N 3.11Å
189	F	97.2	Very high	97.1	Very high	125 Å²	125	89.3 Å²	89.3	55%	0.548	44%	0.444	S	S	.	.	H	α-helix	trans	-70.6	-31.7	-179.6	-82.4	-77.1	0	0	0	112.9	V185 Q187 L192 N193	V185-F189 HydrophobicContact CG1-CD2 3.96Å; V185-F189 HydrophobicContact CG1-CE2 4.15Å; V185-F189 WeakPolarHBondContact O-CD2 3.44Å; V185-F189 PolarHBondContact O-N 3.27Å; V185-F189 VanDerWaalsContact O-N 3.14Å; Q187-F189 PolarHBondContact O-N 3.1Å; F189-L192 HydrophobicContact CD1-CD2 4.36Å; F189-L192 PolarHBondContact O-N 2.7Å; F189-N193 VanDerWaalsContact O-CB 3.32Å; F189-N193 WeakPolarHBondContact O-CB 3.41Å; F189-N193 PolarHBondContact O-N 3.4Å
190	K	97.7	Very high	96.9	Very high	124 Å²	124	90.4 Å²	90.4	54%	0.539	45%	0.447	S	S	.	.	H	α-helix	trans	-61.5	-51	172.3	-177.4	-178.7	176.3	-174	0	111.1	L186 Q187 Y188 L192 N193 D194	L186-K190 VanDerWaalsContact O-CB 3.28Å; L186-K190 WeakPolarHBondContact O-CB 3.47Å; L186-K190 PolarHBondContact O-N 3.19Å; Q187-K190 PolarHBondContact O-N 3.39Å; Y188-K190 VanDerWaalsContact C-N 3.35Å; Y188-K190 PolarHBondContact O-N 2.85Å; K190-L192 VanDerWaalsContact C-N 3.3Å; K190-L192 PolarHBondContact O-N 3.13Å; K190-N193 PolarHBondContact O-N 2.99Å; K190-D194 WeakPolarHBondContact O-CB 3.48Å; K190-D194 VanDerWaalsContact O-CG 3.22Å; K190-D194 PolarHBondContact O-N 3.28Å
191	E	96.8	Very high	96.8	Very high	105 Å²	105	96 Å²	96	49%	0.491	46%	0.463	S	S	.	.	H	α-helix	trans	-61	-39.2	178.3	-72.3	178.2	-166.9	0	0	112.6	Q187 Y188 T195	Q187-E191 PolarHBondContact NE2-OE1 2.93Å; Q187-E191 WeakPolarHBondContact O-CG 3.35Å; Q187-E191 PolarHBondContact O-N 3.01Å; Y188-E191 PolarHBondContact O-N 2.83Å; E191-T195 WeakPolarHBondContact O-CB 3.46Å; E191-T195 PolarHBondContact O-N 3.06Å; E191-T195 PolarHBondContact O-OG1 3.2Å
192	L	95.7	Very high	96.6	Very high	30 Å²	30	93.4 Å²	93.4	16%	0.157	45%	0.453	C	S	.	.	H	α-helix	trans	-62.8	-48.2	175.2	177.7	58.3	0	0	0	111.4	Y188 F189 K190 T195 L196 I294 I297	Y188-L192 WeakPolarHBondContact O-CB 3.48Å; Y188-L192 PolarHBondContact O-N 3.11Å; F189-L192 HydrophobicContact CD1-CD2 4.36Å; F189-L192 PolarHBondContact O-N 2.7Å; K190-L192 VanDerWaalsContact C-N 3.3Å; K190-L192 PolarHBondContact O-N 3.13Å; L192-T195 WeakPolarHBondContact O-CB 3.46Å; L192-T195 PolarHBondContact O-N 3.36Å; L192-L196 HydrophobicContact CD1-CD1 4.37Å; L192-L196 HydrophobicContact CD1-CG 4.39Å; L192-L196 HydrophobicContact CG-CD1 4.25Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 2.75Å; L192-I294 HydrophobicContact CD1-CG2 3.66Å; L192-I294 HydrophobicContact CD2-CG2 3.66Å; L192-I294 HydrophobicContact CG-CG2 4.31Å; L192-I297 HydrophobicContact CD1-CD1 4.22Å
193	N	96.9	Very high	96.3	Very high	98 Å²	98	88.5 Å²	88.5	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-64	-42.8	179.7	-171	67.4	0	0	0	111.8	F189 K190 T195 L196 E197	F189-N193 VanDerWaalsContact O-CB 3.32Å; F189-N193 WeakPolarHBondContact O-CB 3.41Å; F189-N193 PolarHBondContact O-N 3.4Å; K190-N193 PolarHBondContact O-N 2.99Å; N193-T195 VanDerWaalsContact C-N 3.3Å; N193-T195 PolarHBondContact O-N 3.25Å; N193-L196 PolarHBondContact O-N 3.18Å; N193-E197 PolarHBondContact O-N 3.35Å
194	D	97.2	Very high	96.2	Very high	89 Å²	89	88.3 Å²	88.3	48%	0.476	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-41.4	176	-70	-15.9	0	0	0	111	K190 E197 Q198	K190-D194 WeakPolarHBondContact O-CB 3.48Å; K190-D194 VanDerWaalsContact O-CG 3.22Å; K190-D194 PolarHBondContact O-N 3.28Å; D194-E197 PolarHBondContact O-N 3.42Å; D194-Q198 WeakPolarHBondContact O-CB 3.5Å; D194-Q198 PolarHBondContact O-N 2.93Å
195	T	95.7	Very high	96	Very high	28 Å²	28	87.1 Å²	87.1	17%	0.172	43%	0.427	C	S	.	.	H	α-helix	trans	-63.2	-45.2	175.6	-59.7	0	0	0	0	111.5	E191 L192 N193 Q198 K199 I297 K298	E191-T195 WeakPolarHBondContact O-CB 3.46Å; E191-T195 PolarHBondContact O-N 3.06Å; E191-T195 PolarHBondContact O-OG1 3.2Å; L192-T195 WeakPolarHBondContact O-CB 3.46Å; L192-T195 PolarHBondContact O-N 3.36Å; N193-T195 VanDerWaalsContact C-N 3.3Å; N193-T195 PolarHBondContact O-N 3.25Å; T195-Q198 PolarHBondContact O-N 3.15Å; T195-K199 VanDerWaalsContact O-CG 3.27Å; T195-K199 WeakPolarHBondContact O-CG 3.47Å; T195-K199 PolarHBondContact O-N 3.3Å; T195-I297 HydrophobicContact CG2-CG2 4.14Å; T195-K298 HydrophobicContact CG2-CB 4.14Å
196	L	94.6	Very high	95.7	Very high	63 Å²	63	84.1 Å²	84.1	33%	0.33	41%	0.411	S	S	.	.	H	α-helix	trans	-61.5	-46.3	177.9	-74.6	172.1	0	0	0	111.6	L192 N193 Q198 K199 K200 W289 I297	L192-L196 HydrophobicContact CD1-CD1 4.37Å; L192-L196 HydrophobicContact CD1-CG 4.39Å; L192-L196 HydrophobicContact CG-CD1 4.25Å; L192-L196 WeakPolarHBondContact O-CG 3.33Å; L192-L196 PolarHBondContact O-N 2.75Å; N193-L196 PolarHBondContact O-N 3.18Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.31Å; L196-K199 PolarHBondContact O-N 3.26Å; L196-K200 WeakPolarHBondContact O-CB 3.37Å; L196-K200 PolarHBondContact O-N 2.94Å; L196-W289 HydrophobicContact CD2-CZ3 4.18Å; L196-I297 HydrophobicContact CD2-CD1 4Å; L196-I297 HydrophobicContact CD2-CG2 3.95Å
197	E	96.7	Very high	95.5	Very high	94 Å²	94	81.3 Å²	81.3	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-67	-37	-179.9	-163.6	60.7	-156.6	0	0	111.3	N193 D194 K199 K200 K201	N193-E197 PolarHBondContact O-N 3.35Å; D194-E197 PolarHBondContact O-N 3.42Å; E197-K199 PolarHBondContact O-N 2.95Å; E197-K200 PolarHBondContact O-N 2.84Å; E197-K200 IonicContact OE1-NZ 3.31Å; E197-K200 PolarHBondContact OE1-NZ 2.76Å; E197-K200 IonicContact OE2-NZ 2.87Å; E197-K200 PolarHBondContact OE2-NZ 2.79Å; E197-K201 WeakPolarHBondContact O-CB 3.49Å; E197-K201 PolarHBondContact O-N 3.44Å
198	Q	95.5	Very high	95.3	Very high	129 Å²	129	80.5 Å²	80.5	60%	0.603	40%	0.4	S	S	*	.	H	α-helix	trans	-60	-46.1	172.2	-174.6	-178.6	9.8	0	0	111.5	D194 T195 L196 K201 S202	D194-Q198 WeakPolarHBondContact O-CB 3.5Å; D194-Q198 PolarHBondContact O-N 2.93Å; T195-Q198 PolarHBondContact O-N 3.15Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.31Å; Q198-K201 WeakPolarHBondContact O-CB 3.49Å; Q198-K201 PolarHBondContact O-N 3.15Å; Q198-S202 PolarHBondContact O-N 3.19Å; Q198-S202 PolarHBondContact O-OG 3.34Å
199	K	93.1	Very high	95.1	Very high	29 Å²	29	78.9 Å²	78.9	13%	0.126	40%	0.399	C	S	.	.	H	α-helix	trans	-66.6	-42.1	-180	-68	-74.7	-176.8	-179.3	0	112.1	T195 L196 E197 K201 S202 F203 W289 I297 K298 V300 I302	T195-K199 VanDerWaalsContact O-CG 3.27Å; T195-K199 WeakPolarHBondContact O-CG 3.47Å; T195-K199 PolarHBondContact O-N 3.3Å; L196-K199 PolarHBondContact O-N 3.26Å; E197-K199 PolarHBondContact O-N 2.95Å; K199-K201 VanDerWaalsContact C-N 3.33Å; K199-K201 PolarHBondContact O-N 2.92Å; K199-S202 PolarHBondContact O-N 3.05Å; K199-F203 WeakPolarHBondContact O-CD2 3.33Å; K199-F203 PolarHBondContact O-N 3.07Å; K199-W289 HydrophobicContact CB-CH2 3.37Å; K199-W289 HydrophobicContact CB-CZ2 3.81Å; K199-W289 HydrophobicContact CB-CZ3 4.47Å; K199-W289 HydrophobicContact CD-CH2 4.26Å; K199-W289 HydrophobicContact CD-CZ2 4.13Å; K199-W289 HydrophobicContact CG-CH2 3.69Å; K199-W289 HydrophobicContact CG-CZ2 4.06Å; K199-I297 WeakPolarHBondContact CE-O 3.5Å; K199-K298 WeakPolarHBondContact CE-O 3.18Å; K199-K298 PolarHBondContact NZ-O 3.27Å; K199-V300 PolarHBondContact NZ-O 3.22Å; K199-I302 HydrophobicContact CB-CD1 4.44Å; K199-I302 HydrophobicContact CD-CD1 4Å; K199-I302 HydrophobicContact CD-CG1 4.47Å; K199-I302 WeakPolarHBondContact O-CD1 3.34Å
200	K	94.3	Very high	95	Very high	109 Å²	109	73 Å²	73	47%	0.474	37%	0.374	S	S	.	.	H	α-helix	trans	-55.3	-49	171.7	172.5	-175.6	161	-154.6	0	110.9	L196 E197 S202 F203 L204	L196-K200 WeakPolarHBondContact O-CB 3.37Å; L196-K200 PolarHBondContact O-N 2.94Å; E197-K200 PolarHBondContact O-N 2.84Å; E197-K200 IonicContact OE1-NZ 3.31Å; E197-K200 PolarHBondContact OE1-NZ 2.76Å; E197-K200 IonicContact OE2-NZ 2.87Å; E197-K200 PolarHBondContact OE2-NZ 2.79Å; K200-S202 VanDerWaalsContact C-N 3.31Å; K200-S202 PolarHBondContact O-N 3.46Å; K200-F203 PolarHBondContact O-N 2.97Å; K200-L204 HydrophobicContact CG-CD1 4.28Å; K200-L204 WeakPolarHBondContact O-CG 3.48Å; K200-L204 PolarHBondContact O-N 3.01Å; K200-L204 VanDerWaalsContact O-N 3.08Å
201	K	95.8	Very high	94.8	Very high	147 Å²	147	68.4 Å²	68.4	64%	0.639	36%	0.362	S	S	*	.	H	α-helix	trans	-57.4	-45	176.9	-175.4	175.9	-179.9	177.3	0	111.4	E197 Q198 K199 F203 L204 T205	E197-K201 WeakPolarHBondContact O-CB 3.49Å; E197-K201 PolarHBondContact O-N 3.44Å; Q198-K201 WeakPolarHBondContact O-CB 3.49Å; Q198-K201 PolarHBondContact O-N 3.15Å; K199-K201 VanDerWaalsContact C-N 3.33Å; K199-K201 PolarHBondContact O-N 2.92Å; K201-F203 PolarHBondContact O-N 3.08Å; K201-L204 PolarHBondContact O-N 3.22Å; K201-T205 PolarHBondContact O-N 3.38Å; K201-T205 PolarHBondContact O-OG1 2.85Å; K201-T205 VanDerWaalsContact O-OG1 3.07Å
202	S	94	Very high	94.6	Very high	51 Å²	51	67.1 Å²	67.1	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-38.1	178	-68.8	0	0	0	0	113.7	Q198 K199 K200 T205 A206	Q198-S202 PolarHBondContact O-N 3.19Å; Q198-S202 PolarHBondContact O-OG 3.34Å; K199-S202 PolarHBondContact O-N 3.05Å; K200-S202 VanDerWaalsContact C-N 3.31Å; K200-S202 PolarHBondContact O-N 3.46Å; S202-T205 PolarHBondContact O-N 2.72Å; S202-A206 WeakPolarHBondContact O-CB 3.47Å; S202-A206 PolarHBondContact O-N 2.87Å
203	F	93.1	Very high	94.5	Very high	14 Å²	14	69.2 Å²	69.2	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-44.7	172.2	-87.8	-70	0	0	0	112.2	K199 K200 K201 A206 L207 V281 I284 L285 W289 I302 M305	K199-F203 WeakPolarHBondContact O-CD2 3.33Å; K199-F203 PolarHBondContact O-N 3.07Å; K200-F203 PolarHBondContact O-N 2.97Å; K201-F203 PolarHBondContact O-N 3.08Å; F203-A206 PolarHBondContact O-N 3.23Å; F203-L207 PolarHBondContact O-N 3.35Å; F203-V281 HydrophobicContact CD1-CG1 4.01Å; F203-V281 HydrophobicContact CD1-CG2 4.35Å; F203-V281 HydrophobicContact CE1-CG1 4.28Å; F203-I284 HydrophobicContact CE1-CG2 4.16Å; F203-I284 HydrophobicContact CZ-CG2 4.05Å; F203-L285 HydrophobicContact CE2-CD2 4.11Å; F203-L285 HydrophobicContact CZ-CD2 4.16Å; F203-W289 HydrophobicContact CE2-CD2 4.3Å; F203-W289 AromaticContact CE2-CE2 3.51Å; F203-W289 AromaticContact CE2-CZ2 3.65Å; F203-W289 HydrophobicContact CE2-CZ2 3.65Å; F203-W289 AromaticContact CE2-NE1 3.46Å; F203-W289 AromaticContact CZ-CD1 3.97Å; F203-W289 AromaticContact CZ-CE2 3.95Å; F203-W289 HydrophobicContact CZ-CZ2 4.43Å; F203-W289 AromaticContact CZ-NE1 3.38Å; F203-I302 HydrophobicContact CD1-CG2 3.86Å; F203-I302 HydrophobicContact CD2-CD1 3.99Å; F203-I302 HydrophobicContact CD2-CG1 4.2Å; F203-I302 HydrophobicContact CE1-CG1 4.44Å; F203-I302 HydrophobicContact CE1-CG2 3.91Å; F203-I302 HydrophobicContact CE2-CD1 4.18Å; F203-I302 HydrophobicContact CE2-CG1 3.95Å; F203-I302 HydrophobicContact CG-CD1 4.37Å; F203-I302 HydrophobicContact CG-CG2 4.28Å; F203-I302 HydrophobicContact CZ-CG1 4.07Å; F203-I302 HydrophobicContact CZ-CG2 4.37Å; F203-M305 HydrophobicContact CD1-CE 3.77Å; F203-M305 HydrophobicContact CE1-CE 4.4Å
204	L	94.9	Very high	94.4	Very high	104 Å²	104	66.9 Å²	66.9	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-39.7	179.4	-66.6	175.9	0	0	0	111.7	K200 K201 L207 C208	K200-L204 HydrophobicContact CG-CD1 4.28Å; K200-L204 WeakPolarHBondContact O-CG 3.48Å; K200-L204 PolarHBondContact O-N 3.01Å; K200-L204 VanDerWaalsContact O-N 3.08Å; K201-L204 PolarHBondContact O-N 3.22Å; L204-L207 PolarHBondContact O-N 3.37Å; L204-C208 WeakPolarHBondContact O-CB 3.12Å; L204-C208 PolarHBondContact O-N 3.27Å
205	T	94.8	Very high	94.2	Very high	69 Å²	69	66.9 Å²	66.9	42%	0.423	36%	0.356	S	S	.	.	H	α-helix	trans	-61.8	-47.3	173.9	-58.8	0	0	0	0	111.1	K201 S202 L207 C208 D209	K201-T205 PolarHBondContact O-N 3.38Å; K201-T205 PolarHBondContact O-OG1 2.85Å; K201-T205 VanDerWaalsContact O-OG1 3.07Å; S202-T205 PolarHBondContact O-N 2.72Å; T205-L207 VanDerWaalsContact C-N 3.3Å; T205-L207 PolarHBondContact O-N 3.33Å; T205-C208 WeakPolarHBondContact O-CB 3.49Å; T205-C208 PolarHBondContact O-N 3.26Å; T205-C208 VanDerWaalsContact O-N 3.09Å; T205-D209 VanDerWaalsContact O-CG 3.3Å; T205-D209 PolarHBondContact O-N 2.92Å
206	A	92.6	Very high	94.1	Very high	19 Å²	19	71.7 Å²	71.7	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-61.1	-37	177.9	0	0	0	0	0	112.9	S202 F203 V210 M305	S202-A206 WeakPolarHBondContact O-CB 3.47Å; S202-A206 PolarHBondContact O-N 2.87Å; F203-A206 PolarHBondContact O-N 3.23Å; A206-V210 WeakPolarHBondContact O-CG2 3.4Å; A206-V210 PolarHBondContact O-N 3.09Å; A206-M305 HydrophobicContact CB-CE 3.73Å; A206-M305 HydrophobicContact CB-SD 4.28Å
207	L	93.4	Very high	93.9	Very high	67 Å²	67	73.8 Å²	73.8	35%	0.351	39%	0.385	S	S	.	.	H	α-helix	trans	-68	-39.3	173.2	-77.9	170.7	0	0	0	112.6	F203 L204 T205 D209 V210 G211 V281 M305	F203-L207 PolarHBondContact O-N 3.35Å; L204-L207 PolarHBondContact O-N 3.37Å; T205-L207 VanDerWaalsContact C-N 3.3Å; T205-L207 PolarHBondContact O-N 3.33Å; L207-D209 VanDerWaalsContact C-N 3.34Å; L207-V210 PolarHBondContact O-N 3.33Å; L207-G211 PolarHBondContact O-N 3.48Å; L207-V281 HydrophobicContact CD1-CG2 4.04Å; L207-V281 HydrophobicContact CD2-CG2 3.82Å; L207-V281 HydrophobicContact CG-CG2 4Å; L207-M305 HydrophobicContact CD2-CE 4.38Å; L207-M305 HydrophobicContact CD2-SD 3.46Å; L207-M305 WeakPolarHBondContact CD2-SD 3.18Å; L207-M305 HydrophobicContact CG-CE 4.06Å; L207-M305 HydrophobicContact CG-SD 3.69Å
208	C	94.6	Very high	93.8	Very high	75 Å²	75	72 Å²	72	51%	0.507	37%	0.374	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175	-171	0	0	0	0	111	L204 T205 V210 G211 N212	L204-C208 WeakPolarHBondContact O-CB 3.12Å; L204-C208 PolarHBondContact O-N 3.27Å; T205-C208 WeakPolarHBondContact O-CB 3.49Å; T205-C208 PolarHBondContact O-N 3.26Å; T205-C208 VanDerWaalsContact O-N 3.09Å; C208-V210 VanDerWaalsContact C-N 3.31Å; C208-V210 PolarHBondContact O-N 2.99Å; C208-G211 WeakPolarHBondContact O-CA 3.27Å; C208-G211 PolarHBondContact O-N 2.97Å; C208-G211 VanDerWaalsContact O-N 3.09Å; C208-N212 PolarHBondContact O-N 3.46Å; C208-N212 PolarHBondContact O-ND2 3.29Å
209	D	93.8	Very high	93.8	Very high	88 Å²	88	68.9 Å²	68.9	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-58.9	-43.1	176.8	-65.4	-22.9	0	0	0	111.4	T205 L207 N212 L213	T205-D209 VanDerWaalsContact O-CG 3.3Å; T205-D209 PolarHBondContact O-N 2.92Å; L207-D209 VanDerWaalsContact C-N 3.34Å; D209-N212 WeakPolarHBondContact O-CB 3.42Å; D209-N212 PolarHBondContact O-N 2.92Å; D209-L213 WeakPolarHBondContact O-CG 3.42Å; D209-L213 PolarHBondContact O-N 3.46Å
210	V	93.6	Very high	93.9	Very high	2 Å²	2	71 Å²	71	1%	0.012	38%	0.38	C	S	.	.	H	α-helix	trans	-64.1	-42.4	173.8	172.3	0	0	0	0	111.8	A206 L207 C208 N212 L213 I214 I277 M305 I307	A206-V210 WeakPolarHBondContact O-CG2 3.4Å; A206-V210 PolarHBondContact O-N 3.09Å; L207-V210 PolarHBondContact O-N 3.33Å; C208-V210 VanDerWaalsContact C-N 3.31Å; C208-V210 PolarHBondContact O-N 2.99Å; V210-N212 VanDerWaalsContact C-N 3.25Å; V210-N212 PolarHBondContact O-N 3.19Å; V210-L213 WeakPolarHBondContact O-CB 3.46Å; V210-L213 PolarHBondContact O-N 3.46Å; V210-L213 VanDerWaalsContact O-N 3.16Å; V210-I214 HydrophobicContact CG1-CD1 4.28Å; V210-I214 WeakPolarHBondContact O-CG1 3.22Å; V210-I214 PolarHBondContact O-N 3.02Å; V210-I277 HydrophobicContact CG1-CB 4.42Å; V210-I277 HydrophobicContact CG1-CD1 3.78Å; V210-I277 HydrophobicContact CG1-CG1 3.72Å; V210-I277 HydrophobicContact CG1-CG2 3.96Å; V210-M305 HydrophobicContact CG2-CB 3.49Å; V210-M305 VanDerWaalsContact CG2-CB 3.49Å; V210-I307 HydrophobicContact CG1-CD1 4.44Å; V210-I307 HydrophobicContact CG1-CG1 3.93Å
211	G	93.4	Very high	93.8	Very high	27 Å²	27	68.1 Å²	68.1	28%	0.278	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-40.3	174.4	0	0	0	0	0	112.2	L207 C208 I214 N215	L207-G211 PolarHBondContact O-N 3.48Å; C208-G211 WeakPolarHBondContact O-CA 3.27Å; C208-G211 PolarHBondContact O-N 2.97Å; C208-G211 VanDerWaalsContact O-N 3.09Å; G211-I214 PolarHBondContact O-N 3.31Å; G211-N215 PolarHBondContact O-N 2.92Å; G211-N215 PolarHBondContact O-ND2 2.92Å
212	N	94	Very high	93.8	Very high	77 Å²	77	65.3 Å²	65.3	41%	0.412	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-41.7	175.3	-66.6	-31.5	0	0	0	112.1	C208 D209 V210 N215 Q216	C208-N212 PolarHBondContact O-N 3.46Å; C208-N212 PolarHBondContact O-ND2 3.29Å; D209-N212 WeakPolarHBondContact O-CB 3.42Å; D209-N212 PolarHBondContact O-N 2.92Å; V210-N212 VanDerWaalsContact C-N 3.25Å; V210-N212 PolarHBondContact O-N 3.19Å; N212-N215 PolarHBondContact O-N 2.93Å; N212-Q216 WeakPolarHBondContact O-CG 3.37Å; N212-Q216 PolarHBondContact O-N 2.89Å
213	L	93.4	Very high	93.9	Very high	74 Å²	74	66.7 Å²	66.7	39%	0.387	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-42.2	174.3	-68.1	171.9	0	0	0	111.5	D209 V210 N215 Q216 E217 I307	D209-L213 WeakPolarHBondContact O-CG 3.42Å; D209-L213 PolarHBondContact O-N 3.46Å; V210-L213 WeakPolarHBondContact O-CB 3.46Å; V210-L213 PolarHBondContact O-N 3.46Å; V210-L213 VanDerWaalsContact O-N 3.16Å; L213-N215 VanDerWaalsContact C-N 3.3Å; L213-N215 PolarHBondContact O-N 3.27Å; L213-Q216 WeakPolarHBondContact O-CB 3.34Å; L213-Q216 PolarHBondContact O-N 2.9Å; L213-E217 WeakPolarHBondContact O-CG 3.49Å; L213-E217 PolarHBondContact O-N 2.85Å; L213-I307 HydrophobicContact CB-CD1 3.41Å; L213-I307 VanDerWaalsContact CB-CD1 3.41Å; L213-I307 HydrophobicContact CB-CG1 4.33Å
214	I	93.3	Very high	93.9	Very high	49 Å²	49	72.2 Å²	72.2	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-58.9	-45.5	175.4	-67.4	173.7	0	0	0	110.1	V210 G211 Q216 E217 Y218 V275 I277 I307	V210-I214 HydrophobicContact CG1-CD1 4.28Å; V210-I214 WeakPolarHBondContact O-CG1 3.22Å; V210-I214 PolarHBondContact O-N 3.02Å; G211-I214 PolarHBondContact O-N 3.31Å; I214-Q216 VanDerWaalsContact C-N 3.34Å; I214-Q216 PolarHBondContact O-N 2.77Å; I214-E217 PolarHBondContact O-N 3.22Å; I214-Y218 HydrophobicContact CG2-CD2 3.72Å; I214-Y218 HydrophobicContact CG2-CE2 4.06Å; I214-Y218 WeakPolarHBondContact O-CD2 3.48Å; I214-Y218 PolarHBondContact O-N 2.77Å; I214-V275 HydrophobicContact CG1-CG1 4.32Å; I214-I277 HydrophobicContact CD1-CD1 4.06Å; I214-I277 HydrophobicContact CD1-CG1 4.32Å; I214-I307 HydrophobicContact CB-CD1 4.23Å; I214-I307 HydrophobicContact CG1-CD1 3.4Å; I214-I307 VanDerWaalsContact CG1-CD1 3.4Å; I214-I307 HydrophobicContact CG1-CG1 4.17Å; I214-I307 VanDerWaalsContact N-CD1 3.33Å
215	N	94.2	Very high	93.9	Very high	89 Å²	89	69.8 Å²	69.8	48%	0.476	37%	0.368	S	S	.	.	H	α-helix	trans	-63	-41.3	178.4	-73.3	-32.7	0	0	0	111.7	G211 N212 L213 E217 T219	G211-N215 PolarHBondContact O-N 2.92Å; G211-N215 PolarHBondContact O-ND2 2.92Å; N212-N215 PolarHBondContact O-N 2.93Å; L213-N215 VanDerWaalsContact C-N 3.3Å; L213-N215 PolarHBondContact O-N 3.27Å; N215-E217 VanDerWaalsContact C-N 3.29Å; N215-E217 PolarHBondContact O-N 3.38Å; N215-T219 WeakPolarHBondContact O-CB 3.43Å; N215-T219 PolarHBondContact O-N 2.97Å; N215-T219 PolarHBondContact O-OG1 3.49Å
216	Q	92.7	Very high	93.9	Very high	130 Å²	130	70.7 Å²	70.7	61%	0.607	37%	0.366	S	S	*	.	H	α-helix	trans	-60.3	-37.3	175.8	-73	171.9	-2	0	0	112.5	N212 L213 I214 P220	N212-Q216 WeakPolarHBondContact O-CG 3.37Å; N212-Q216 PolarHBondContact O-N 2.89Å; L213-Q216 WeakPolarHBondContact O-CB 3.34Å; L213-Q216 PolarHBondContact O-N 2.9Å; I214-Q216 VanDerWaalsContact C-N 3.34Å; I214-Q216 PolarHBondContact O-N 2.77Å; Q216-P220 VanDerWaalsContact O-CD 3.25Å; Q216-P220 WeakPolarHBondContact O-CD 3.34Å; Q216-P220 WeakPolarHBondContact O-CG 3.36Å
217	E	91	Very high	94	Very high	107 Å²	107	75 Å²	75	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-73	-44.7	178.7	-68.3	-57.6	147.5	0	0	113.2	L213 I214 N215 Q221	L213-E217 WeakPolarHBondContact O-CG 3.49Å; L213-E217 PolarHBondContact O-N 2.85Å; I214-E217 PolarHBondContact O-N 3.22Å; N215-E217 VanDerWaalsContact C-N 3.29Å; N215-E217 PolarHBondContact O-N 3.38Å; E217-Q221 PolarHBondContact O-NE2 3.02Å
218	Y	94.1	Very high	94	Very high	57 Å²	57	72.5 Å²	72.5	22%	0.224	37%	0.369	C	S	.	.	H	α-helix	trans	-97.5	-31.6	-170.4	-67.7	-65.5	0	0	0	114.9	I214 Q221 I222 Q273 V275	I214-Y218 HydrophobicContact CG2-CD2 3.72Å; I214-Y218 HydrophobicContact CG2-CE2 4.06Å; I214-Y218 WeakPolarHBondContact O-CD2 3.48Å; I214-Y218 PolarHBondContact O-N 2.77Å; Y218-Q221 PolarHBondContact O-N 2.9Å; Y218-I222 WeakPolarHBondContact O-CG1 3.42Å; Y218-I222 PolarHBondContact O-N 3Å; Y218-Q273 PolarHBondContact OH-O 2.84Å; Y218-V275 HydrophobicContact CE2-CB 4.23Å; Y218-V275 HydrophobicContact CE2-CG2 4.35Å; Y218-V275 WeakPolarHBondContact OH-CB 3.47Å; Y218-V275 PolarHBondContact OH-N 3.06Å
219	T	95.8	Very high	94	Very high	62 Å²	62	76.9 Å²	76.9	38%	0.38	38%	0.375	S	S	.	.	H	α-helix	trans	-59.4	-47.3	-174.4	-53.3	0	0	0	0	112.4	N215 Q221 I222 E223	N215-T219 WeakPolarHBondContact O-CB 3.43Å; N215-T219 PolarHBondContact O-N 2.97Å; N215-T219 PolarHBondContact O-OG1 3.49Å; T219-Q221 VanDerWaalsContact C-N 3.25Å; T219-Q221 PolarHBondContact O-N 3.23Å; T219-I222 PolarHBondContact O-N 3.39Å; T219-E223 HydrophobicContact CG2-CG 4.3Å; T219-E223 WeakPolarHBondContact O-CG 3.37Å; T219-E223 PolarHBondContact O-N 3.47Å
220	P	94.2	Very high	94.2	Very high	73 Å²	73	79.3 Å²	79.3	47%	0.474	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-32.8	179.6	-21.5	34.5	0	0	0	112.9	Q216 R224	Q216-P220 VanDerWaalsContact O-CD 3.25Å; Q216-P220 WeakPolarHBondContact O-CD 3.34Å; Q216-P220 WeakPolarHBondContact O-CG 3.36Å; P220-R224 WeakPolarHBondContact O-CB 3.37Å; P220-R224 PolarHBondContact O-N 3.42Å; P220-R224 VanDerWaalsContact O-N 3.12Å
221	Q	93.6	Very high	94.2	Very high	50 Å²	50	82.4 Å²	82.4	23%	0.234	40%	0.398	C	S	.	.	H	α-helix	trans	-72.2	-43.5	177.8	-58.4	-173.6	48.7	0	0	111.1	E217 Y218 T219 R224 M225	E217-Q221 PolarHBondContact O-NE2 3.02Å; Y218-Q221 PolarHBondContact O-N 2.9Å; T219-Q221 VanDerWaalsContact C-N 3.25Å; T219-Q221 PolarHBondContact O-N 3.23Å; Q221-R224 PolarHBondContact O-N 2.93Å; Q221-M225 VanDerWaalsContact O-CG 3.32Å; Q221-M225 WeakPolarHBondContact O-CG 3.39Å; Q221-M225 PolarHBondContact O-N 3.5Å
222	I	95.1	Very high	94.3	Very high	87 Å²	87	84.4 Å²	84.4	45%	0.446	40%	0.4	S	S	.	.	H	α-helix	trans	-61.2	-48	176.9	-69.2	167.1	0	0	0	110.5	Y218 T219 M225 K226	Y218-I222 WeakPolarHBondContact O-CG1 3.42Å; Y218-I222 PolarHBondContact O-N 3Å; T219-I222 PolarHBondContact O-N 3.39Å; I222-M225 PolarHBondContact O-N 3.22Å; I222-K226 HydrophobicContact CG2-CD 4.24Å; I222-K226 WeakPolarHBondContact O-CG 3.48Å; I222-K226 PolarHBondContact O-N 3.3Å
223	E	95.9	Very high	94.4	Very high	80 Å²	80	85.9 Å²	85.9	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-43	179.8	-67.1	-49.2	132.1	0	0	111.6	T219 M225 K226 E227	T219-E223 HydrophobicContact CG2-CG 4.3Å; T219-E223 WeakPolarHBondContact O-CG 3.37Å; T219-E223 PolarHBondContact O-N 3.47Å; E223-M225 VanDerWaalsContact C-N 3.29Å; E223-M225 PolarHBondContact O-N 3.28Å; E223-K226 WeakPolarHBondContact O-CB 3.32Å; E223-K226 PolarHBondContact O-N 3.46Å; E223-K226 VanDerWaalsContact O-N 3.11Å; E223-K226 IonicContact OE1-NZ 2.85Å; E223-K226 PolarHBondContact OE1-NZ 2.93Å; E223-K226 IonicContact OE2-NZ 2.72Å; E223-E227 WeakPolarHBondContact O-CG 3.38Å; E223-E227 PolarHBondContact O-N 3.07Å
224	R	93.7	Very high	94.5	Very high	130 Å²	130	87 Å²	87	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-57	-41.5	172.9	-170.6	-170.8	-58.4	170.8	2.6	112.4	P220 Q221 I228	P220-R224 WeakPolarHBondContact O-CB 3.37Å; P220-R224 PolarHBondContact O-N 3.42Å; P220-R224 VanDerWaalsContact O-N 3.12Å; Q221-R224 PolarHBondContact O-N 2.93Å; R224-I228 WeakPolarHBondContact O-CG1 3.39Å; R224-I228 PolarHBondContact O-N 2.98Å
225	M	94	Very high	94.5	Very high	54 Å²	54	85.1 Å²	85.1	27%	0.266	40%	0.401	S	S	.	.	H	α-helix	trans	-69.6	-36.2	178.3	-68.5	-53.8	96.4	0	0	112.1	Q221 I222 E223 I228 R229 L269 P270	Q221-M225 VanDerWaalsContact O-CG 3.32Å; Q221-M225 WeakPolarHBondContact O-CG 3.39Å; Q221-M225 PolarHBondContact O-N 3.5Å; I222-M225 PolarHBondContact O-N 3.22Å; E223-M225 VanDerWaalsContact C-N 3.29Å; E223-M225 PolarHBondContact O-N 3.28Å; M225-I228 HydrophobicContact CE-CD1 3.73Å; M225-R229 WeakPolarHBondContact O-CB 3.45Å; M225-R229 PolarHBondContact O-N 3.14Å; M225-L269 HydrophobicContact SD-CD2 3.91Å; M225-P270 HydrophobicContact CE-CG 3.81Å; M225-P270 HydrophobicContact CG-CG 4.27Å; M225-P270 WeakPolarHBondContact SD-CD 3.13Å; M225-P270 HydrophobicContact SD-CG 3.99Å
226	K	95.8	Very high	94.5	Very high	87 Å²	87	86.8 Å²	86.8	38%	0.378	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-44	174.1	-73.3	174.2	-178.4	169.6	0	111.6	I222 E223 I228 R229 E230	I222-K226 HydrophobicContact CG2-CD 4.24Å; I222-K226 WeakPolarHBondContact O-CG 3.48Å; I222-K226 PolarHBondContact O-N 3.3Å; E223-K226 WeakPolarHBondContact O-CB 3.32Å; E223-K226 PolarHBondContact O-N 3.46Å; E223-K226 VanDerWaalsContact O-N 3.11Å; E223-K226 IonicContact OE1-NZ 2.85Å; E223-K226 PolarHBondContact OE1-NZ 2.93Å; E223-K226 IonicContact OE2-NZ 2.72Å; K226-I228 PolarHBondContact O-N 3.49Å; K226-R229 WeakPolarHBondContact O-CB 3.3Å; K226-R229 PolarHBondContact O-N 3.46Å; K226-E230 WeakPolarHBondContact O-CB 3.44Å; K226-E230 PolarHBondContact O-N 3.49Å
227	E	95	Very high	94.6	Very high	110 Å²	110	84.6 Å²	84.6	51%	0.514	40%	0.403	S	S	.	.	H	α-helix	trans	-59.8	-45.4	177	-72.7	172.6	-177.1	0	0	111.9	E223 R229 E230 Q231	E223-E227 WeakPolarHBondContact O-CG 3.38Å; E223-E227 PolarHBondContact O-N 3.07Å; E227-R229 VanDerWaalsContact C-N 3.31Å; E227-R229 PolarHBondContact O-N 3.4Å; E227-E230 PolarHBondContact O-N 3.42Å; E227-Q231 WeakPolarHBondContact O-CG 3.28Å; E227-Q231 PolarHBondContact O-N 3.36Å
228	I	93.3	Very high	94.6	Very high	15 Å²	15	81.9 Å²	81.9	8%	0.077	39%	0.392	C	S	.	.	H	α-helix	trans	-61.9	-42.4	176.4	-66.9	173.1	0	0	0	110.5	R224 M225 K226 Q231 Q232 L264 R267	R224-I228 WeakPolarHBondContact O-CG1 3.39Å; R224-I228 PolarHBondContact O-N 2.98Å; M225-I228 HydrophobicContact CE-CD1 3.73Å; K226-I228 PolarHBondContact O-N 3.49Å; I228-Q231 PolarHBondContact O-N 2.99Å; I228-Q232 WeakPolarHBondContact O-CG 3.3Å; I228-Q232 PolarHBondContact O-N 2.88Å; I228-L264 HydrophobicContact CG2-CD2 4.06Å; I228-L264 HydrophobicContact CG2-CG 4.39Å; I228-R267 HydrophobicContact CD1-CB 4.33Å
229	R	94.8	Very high	94.4	Very high	167 Å²	167	81.9 Å²	81.9	63%	0.63	40%	0.398	S	S	*	.	H	α-helix	trans	-64.5	-39.7	177.7	-175.5	-174.1	68	-176.3	2.1	112.2	M225 K226 E227 Q232 L233	M225-R229 WeakPolarHBondContact O-CB 3.45Å; M225-R229 PolarHBondContact O-N 3.14Å; K226-R229 WeakPolarHBondContact O-CB 3.3Å; K226-R229 PolarHBondContact O-N 3.46Å; E227-R229 VanDerWaalsContact C-N 3.31Å; E227-R229 PolarHBondContact O-N 3.4Å; R229-Q232 WeakPolarHBondContact O-CB 3.34Å; R229-Q232 PolarHBondContact O-N 3.02Å; R229-L233 PolarHBondContact O-N 2.94Å
230	E	96.7	Very high	94.3	Very high	139 Å²	139	82.6 Å²	82.6	65%	0.65	40%	0.402	S	S	*	.	H	α-helix	trans	-66	-44.8	177.7	-175.6	168.3	-159.6	0	0	111.4	K226 E227 Q232 L233 E234	K226-E230 WeakPolarHBondContact O-CB 3.44Å; K226-E230 PolarHBondContact O-N 3.49Å; E227-E230 PolarHBondContact O-N 3.42Å; E230-Q232 VanDerWaalsContact C-N 3.27Å; E230-Q232 PolarHBondContact O-N 3.3Å; E230-L233 WeakPolarHBondContact O-CB 3.46Å; E230-L233 PolarHBondContact O-N 2.78Å; E230-L233 VanDerWaalsContact O-N 3.07Å; E230-E234 PolarHBondContact O-N 3.36Å
231	Q	94.5	Very high	94.1	Very high	66 Å²	66	81.6 Å²	81.6	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-35.7	173.3	-70.3	176.5	3.7	0	0	112.2	E227 I228 L235 L264 R267	E227-Q231 WeakPolarHBondContact O-CG 3.28Å; E227-Q231 PolarHBondContact O-N 3.36Å; I228-Q231 PolarHBondContact O-N 2.99Å; Q231-L235 WeakPolarHBondContact O-CG 3.48Å; Q231-L235 PolarHBondContact O-N 3.32Å; Q231-L264 HydrophobicContact CB-CD1 3.41Å; Q231-L264 VanDerWaalsContact CB-CD1 3.41Å; Q231-R267 VanDerWaalsContact OE1-CZ 3.25Å
232	Q	94.6	Very high	94	Very high	70 Å²	70	79.4 Å²	79.4	33%	0.327	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-44.2	171.6	-79.1	179.5	-8.5	0	0	112	I228 R229 E230 L235 M236 L264	I228-Q232 WeakPolarHBondContact O-CG 3.3Å; I228-Q232 PolarHBondContact O-N 2.88Å; R229-Q232 WeakPolarHBondContact O-CB 3.34Å; R229-Q232 PolarHBondContact O-N 3.02Å; E230-Q232 VanDerWaalsContact C-N 3.27Å; E230-Q232 PolarHBondContact O-N 3.3Å; Q232-L235 PolarHBondContact O-N 3.43Å; Q232-M236 VanDerWaalsContact O-CG 3.28Å; Q232-M236 WeakPolarHBondContact O-CG 3.26Å; Q232-M236 PolarHBondContact O-N 3.15Å; Q232-L264 HydrophobicContact CG-CD1 4.11Å; Q232-L264 HydrophobicContact CG-CD2 3.17Å; Q232-L264 HydrophobicContact CG-CG 4.29Å
233	L	96.1	Very high	93.6	Very high	107 Å²	107	82.5 Å²	82.5	56%	0.56	40%	0.399	S	S	*	.	H	α-helix	trans	-64.9	-42.2	-179.6	-171.8	64.6	0	0	0	111.4	R229 E230 L235 M236 T237	R229-L233 PolarHBondContact O-N 2.94Å; E230-L233 WeakPolarHBondContact O-CB 3.46Å; E230-L233 PolarHBondContact O-N 2.78Å; E230-L233 VanDerWaalsContact O-N 3.07Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.48Å; L233-M236 WeakPolarHBondContact O-CB 3.43Å; L233-M236 PolarHBondContact O-N 2.98Å; L233-T237 WeakPolarHBondContact O-CG2 3.47Å; L233-T237 PolarHBondContact O-N 3.37Å; L233-T237 PolarHBondContact O-OG1 2.95Å
234	E	95.3	Very high	93.3	Very high	98 Å²	98	86.9 Å²	86.9	46%	0.458	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-42.8	174	-169.7	-156.8	141.3	0	0	111.7	E230 M236 T237 L238 R260	E230-E234 PolarHBondContact O-N 3.36Å; E234-M236 VanDerWaalsContact C-N 3.34Å; E234-M236 PolarHBondContact O-N 3.31Å; E234-T237 PolarHBondContact O-N 3.39Å; E234-T237 PolarHBondContact O-OG1 3.17Å; E234-L238 WeakPolarHBondContact O-CB 3.47Å; E234-L238 PolarHBondContact O-N 3.03Å; E234-R260 IonicContact OE1-CZ 3.92Å; E234-R260 IonicContact OE1-NH2 3.89Å; E234-R260 PolarHBondContact OE1-NH2 3.33Å; E234-R260 IonicContact OE2-NH2 3.82Å
235	L	94.2	Very high	93.1	Very high	10 Å²	10	83.7 Å²	83.7	5%	0.052	41%	0.41	C	S	.	.	H	α-helix	trans	-67.1	-36.4	176.1	-73.4	175.1	0	0	0	112.1	Q231 Q232 L233 T239 R260 V261 L264	Q231-L235 WeakPolarHBondContact O-CG 3.48Å; Q231-L235 PolarHBondContact O-N 3.32Å; Q232-L235 PolarHBondContact O-N 3.43Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.48Å; L235-T239 VanDerWaalsContact O-CB 3.26Å; L235-T239 WeakPolarHBondContact O-CB 3.29Å; L235-T239 PolarHBondContact O-N 3.45Å; L235-T239 PolarHBondContact O-OG1 3.08Å; L235-R260 HydrophobicContact CD1-CB 4.11Å; L235-R260 HydrophobicContact CD2-CB 3.76Å; L235-V261 HydrophobicContact CD1-CG2 4.11Å; L235-L264 HydrophobicContact CD1-CD1 4.13Å
236	M	94.2	Very high	93.1	Very high	124 Å²	124	84.4 Å²	84.4	61%	0.611	42%	0.421	S	S	*	.	H	α-helix	trans	-63.2	-43.1	175	-73.6	176.4	67.9	0	0	111.7	Q232 L233 E234 T240	Q232-M236 VanDerWaalsContact O-CG 3.28Å; Q232-M236 WeakPolarHBondContact O-CG 3.26Å; Q232-M236 PolarHBondContact O-N 3.15Å; L233-M236 WeakPolarHBondContact O-CB 3.43Å; L233-M236 PolarHBondContact O-N 2.98Å; E234-M236 VanDerWaalsContact C-N 3.34Å; E234-M236 PolarHBondContact O-N 3.31Å; M236-T240 PolarHBondContact O-N 2.89Å; M236-T240 PolarHBondContact O-OG1 3.41Å
237	T	94.5	Very high	92.9	Very high	84 Å²	84	83.9 Å²	83.9	52%	0.515	43%	0.433	S	S	.	.	H	α-helix	trans	-67.4	-45.2	177.5	56.7	0	0	0	0	111.4	L233 E234 T239 T240 S241	L233-T237 WeakPolarHBondContact O-CG2 3.47Å; L233-T237 PolarHBondContact O-N 3.37Å; L233-T237 PolarHBondContact O-OG1 2.95Å; E234-T237 PolarHBondContact O-N 3.39Å; E234-T237 PolarHBondContact O-OG1 3.17Å; T237-T239 VanDerWaalsContact C-N 3.35Å; T237-T239 PolarHBondContact O-N 3.06Å; T237-T240 PolarHBondContact O-N 3.34Å; T237-S241 PolarHBondContact O-N 3.01Å; T237-S241 PolarHBondContact O-OG 2.94Å
238	L	91.5	Very high	92.7	Very high	50 Å²	50	85 Å²	85	26%	0.262	44%	0.441	S	S	.	.	H	α-helix	trans	-59.1	-46.3	176.5	-174.9	66.1	0	0	0	111.2	E234 T240 S241 L242 V257	E234-L238 WeakPolarHBondContact O-CB 3.47Å; E234-L238 PolarHBondContact O-N 3.03Å; L238-T240 VanDerWaalsContact C-N 3.28Å; L238-T240 PolarHBondContact O-N 3.34Å; L238-S241 WeakPolarHBondContact CA-OG 3.47Å; L238-S241 PolarHBondContact O-N 3.21Å; L238-S241 PolarHBondContact O-OG 3.47Å; L238-L242 HydrophobicContact CG-CD1 4.38Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 3.38Å; L238-V257 HydrophobicContact CD2-CG2 3.54Å; L238-V257 HydrophobicContact CG-CG2 4.06Å
239	T	90.6	Very high	92.5	Very high	56 Å²	56	89.5 Å²	89.5	34%	0.344	46%	0.46	S	S	.	.	H	α-helix	trans	-60.5	-38.9	177.8	-56.2	0	0	0	0	111.8	L235 T237 V257	L235-T239 VanDerWaalsContact O-CB 3.26Å; L235-T239 WeakPolarHBondContact O-CB 3.29Å; L235-T239 PolarHBondContact O-N 3.45Å; L235-T239 PolarHBondContact O-OG1 3.08Å; T237-T239 VanDerWaalsContact C-N 3.35Å; T237-T239 PolarHBondContact O-N 3.06Å; T239-V257 WeakPolarHBondContact OG1-CG1 3.49Å
240	T	91.9	Very high	92.4	Very high	78 Å²	78	85.1 Å²	85.1	48%	0.479	45%	0.446	S	S	.	.	H	α-helix	trans	-67	-47.6	176.9	-52.3	0	0	0	0	110.7	M236 T237 L238 L242 Q243	M236-T240 PolarHBondContact O-N 2.89Å; M236-T240 PolarHBondContact O-OG1 3.41Å; T237-T240 PolarHBondContact O-N 3.34Å; L238-T240 VanDerWaalsContact C-N 3.28Å; L238-T240 PolarHBondContact O-N 3.34Å; T240-L242 VanDerWaalsContact C-N 3.27Å; T240-L242 PolarHBondContact O-N 2.92Å; T240-Q243 WeakPolarHBondContact O-CB 3.38Å; T240-Q243 PolarHBondContact O-N 2.85Å; T240-Q243 VanDerWaalsContact O-N 3.15Å
241	S	91.6	Very high	92.2	Very high	51 Å²	51	84.2 Å²	84.2	36%	0.357	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-32	178.2	64.1	0	0	0	0	113.6	T237 L238 Q243 E244	T237-S241 PolarHBondContact O-N 3.01Å; T237-S241 PolarHBondContact O-OG 2.94Å; L238-S241 WeakPolarHBondContact CA-OG 3.47Å; L238-S241 PolarHBondContact O-N 3.21Å; L238-S241 PolarHBondContact O-OG 3.47Å; S241-Q243 PolarHBondContact O-N 3.3Å; S241-E244 PolarHBondContact O-N 3Å; S241-E244 VanDerWaalsContact O-N 3.15Å
242	L	91.2	Very high	92.1	Very high	5 Å²	5	87.9 Å²	87.9	3%	0.026	46%	0.462	C	S	.	.	H	α-helix	trans	-64.8	-28.6	177.4	-78.9	172.7	0	0	0	112.7	L238 T240 E244 E245 F250 K253 V257	L238-L242 HydrophobicContact CG-CD1 4.38Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 3.38Å; T240-L242 VanDerWaalsContact C-N 3.27Å; T240-L242 PolarHBondContact O-N 2.92Å; L242-E244 PolarHBondContact O-N 3.49Å; L242-E245 PolarHBondContact O-N 2.86Å; L242-F250 HydrophobicContact CB-CD2 4.32Å; L242-F250 WeakPolarHBondContact O-CD2 3.31Å; L242-K253 HydrophobicContact CD2-CB 3.72Å; L242-K253 HydrophobicContact CD2-CD 3.65Å; L242-K253 HydrophobicContact CD2-CG 4.37Å; L242-V257 HydrophobicContact CD1-CB 4.26Å; L242-V257 HydrophobicContact CD1-CG2 3.5Å
243	Q	86.9	Confident	92	Very high	151 Å²	151	88.3 Å²	88.3	71%	0.706	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.5	176.9	-67	179.5	-7.8	0	0	112.5	T240 S241	T240-Q243 WeakPolarHBondContact O-CB 3.38Å; T240-Q243 PolarHBondContact O-N 2.85Å; T240-Q243 VanDerWaalsContact O-N 3.15Å; S241-Q243 PolarHBondContact O-N 3.3Å
244	E	88.9	Confident	91.8	Very high	173 Å²	173	84.7 Å²	84.7	81%	0.808	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.1	-179.8	-59.3	-180	174.4	0	0	112.7	S241 L242	S241-E244 PolarHBondContact O-N 3Å; S241-E244 VanDerWaalsContact O-N 3.15Å; L242-E244 PolarHBondContact O-N 3.49Å
245	E	90.1	Very high	91.7	Very high	62 Å²	62	84.2 Å²	84.2	29%	0.29	45%	0.446	S	S	.	.	S	Bend	trans	-80.7	164.9	179.3	-68.5	-158.8	-169	0	0	113.2	L242 K249 K253	L242-E245 PolarHBondContact O-N 2.86Å; E245-K249 HydrophobicContact CB-CB 4.37Å; E245-K249 WeakPolarHBondContact OE2-CB 3.01Å; E245-K249 WeakPolarHBondContact OE2-CD 3.46Å; E245-K253 VanDerWaalsContact CD-NZ 3.26Å; E245-K253 IonicContact OE1-NZ 2.75Å; E245-K253 PolarHBondContact OE1-NZ 2.92Å; E245-K253 IonicContact OE2-NZ 2.79Å; E245-K253 PolarHBondContact OE2-NZ 2.89Å
246	S	92.6	Very high	91.6	Very high	70 Å²	70	87.9 Å²	87.9	49%	0.49	47%	0.465	S	S	.	.			trans	-68.8	153.1	175.6	68.9	0	0	0	0	111.9	L248 K249 F250	S246-L248 PolarHBondContact O-N 3.24Å; S246-K249 PolarHBondContact O-N 2.98Å; S246-F250 PolarHBondContact O-N 3.46Å
247	A	91.6	Very high	91.5	Very high	76 Å²	76	82.4 Å²	82.4	63%	0.628	44%	0.439	S	S	*	.	H	α-helix	trans	-52	-37.1	-176.6	0	0	0	0	0	114	L251	A247-L251 VanDerWaalsContact O-CG 3.27Å; A247-L251 WeakPolarHBondContact O-CG 3.4Å; A247-L251 PolarHBondContact O-N 2.88Å; A247-L251 VanDerWaalsContact O-N 3.12Å
248	L	91.4	Very high	91.5	Very high	132 Å²	132	86.2 Å²	86.2	69%	0.691	44%	0.444	S	S	*	.	H	α-helix	trans	-68.7	-45.9	179	-171	144.7	0	0	0	112.2	S246 L251 E252	S246-L248 PolarHBondContact O-N 3.24Å; L248-L251 PolarHBondContact O-N 2.99Å; L248-E252 PolarHBondContact O-N 3.43Å; L248-E252 VanDerWaalsContact O-N 3.14Å
249	K	89	Confident	91.6	Very high	110 Å²	110	89.9 Å²	89.9	48%	0.478	46%	0.46	S	S	.	.	H	α-helix	trans	-71.4	-33.6	178.9	-65	-176.1	174.8	-178.3	0	112.6	E245 S246 E252 K253	E245-K249 HydrophobicContact CB-CB 4.37Å; E245-K249 WeakPolarHBondContact OE2-CB 3.01Å; E245-K249 WeakPolarHBondContact OE2-CD 3.46Å; S246-K249 PolarHBondContact O-N 2.98Å; K249-E252 PolarHBondContact O-N 2.97Å; K249-K253 PolarHBondContact O-N 3.47Å
250	F	94.1	Very high	91.8	Very high	75 Å²	75	91.1 Å²	91.1	33%	0.329	46%	0.458	S	S	.	.	H	α-helix	trans	-59.4	-52.7	172.8	173.8	-93.8	0	0	0	110.9	L242 S246 E252 K253 V254	L242-F250 HydrophobicContact CB-CD2 4.32Å; L242-F250 WeakPolarHBondContact O-CD2 3.31Å; S246-F250 PolarHBondContact O-N 3.46Å; F250-E252 VanDerWaalsContact C-N 3.26Å; F250-E252 PolarHBondContact O-N 3.45Å; F250-K253 PolarHBondContact O-N 2.91Å; F250-V254 HydrophobicContact CE1-CB 4.18Å; F250-V254 HydrophobicContact CE1-CG1 4.21Å; F250-V254 HydrophobicContact CE1-CG2 4.16Å; F250-V254 HydrophobicContact CE2-CB 4.31Å; F250-V254 HydrophobicContact CE2-CG2 4.05Å; F250-V254 HydrophobicContact CZ-CB 4.08Å; F250-V254 HydrophobicContact CZ-CG2 3.67Å; F250-V254 VanDerWaalsContact O-CB 3.26Å; F250-V254 WeakPolarHBondContact O-CB 3.22Å; F250-V254 WeakPolarHBondContact O-CG1 3.38Å; F250-V254 PolarHBondContact O-N 3.13Å
251	L	91.9	Very high	91.9	Very high	120 Å²	120	90 Å²	90	63%	0.628	45%	0.451	S	S	*	.	H	α-helix	trans	-64.3	-30.5	-179.7	-69.7	172.7	0	0	0	112.7	A247 L248	A247-L251 VanDerWaalsContact O-CG 3.27Å; A247-L251 WeakPolarHBondContact O-CG 3.4Å; A247-L251 PolarHBondContact O-N 2.88Å; A247-L251 VanDerWaalsContact O-N 3.12Å; L248-L251 PolarHBondContact O-N 2.99Å
252	E	91.2	Very high	92	Very high	144 Å²	144	92.5 Å²	92.5	67%	0.673	46%	0.457	S	S	*	.	H	α-helix	trans	-67.2	-37.3	175.1	-173.7	179.2	-163.3	0	0	113	L248 K249 F250	L248-E252 PolarHBondContact O-N 3.43Å; L248-E252 VanDerWaalsContact O-N 3.14Å; K249-E252 PolarHBondContact O-N 2.97Å; F250-E252 VanDerWaalsContact C-N 3.26Å; F250-E252 PolarHBondContact O-N 3.45Å
253	K	92.7	Very high	92.1	Very high	79 Å²	79	97.2 Å²	97.2	34%	0.343	48%	0.481	S	S	.	.	H	α-helix	trans	-103.5	-21.7	-171.4	-64.7	172.9	-178	168.7	0	114.9	L242 E245 K249 F250 D255 D256 V257	L242-K253 HydrophobicContact CD2-CB 3.72Å; L242-K253 HydrophobicContact CD2-CD 3.65Å; L242-K253 HydrophobicContact CD2-CG 4.37Å; E245-K253 VanDerWaalsContact CD-NZ 3.26Å; E245-K253 IonicContact OE1-NZ 2.75Å; E245-K253 PolarHBondContact OE1-NZ 2.92Å; E245-K253 IonicContact OE2-NZ 2.79Å; E245-K253 PolarHBondContact OE2-NZ 2.89Å; K249-K253 PolarHBondContact O-N 3.47Å; F250-K253 PolarHBondContact O-N 2.91Å; K253-D255 VanDerWaalsContact C-N 3.3Å; K253-D255 PolarHBondContact O-N 3.27Å; K253-D256 PolarHBondContact O-N 2.9Å; K253-V257 PolarHBondContact O-N 3.46Å
254	V	93.1	Very high	92.4	Very high	30 Å²	30	90.5 Å²	90.5	18%	0.182	45%	0.45	C	S	.	.	H	α-helix	trans	-63.5	-33.5	-170.8	69.1	0	0	0	0	113.1	F250 V257 R258	F250-V254 HydrophobicContact CE1-CB 4.18Å; F250-V254 HydrophobicContact CE1-CG1 4.21Å; F250-V254 HydrophobicContact CE1-CG2 4.16Å; F250-V254 HydrophobicContact CE2-CB 4.31Å; F250-V254 HydrophobicContact CE2-CG2 4.05Å; F250-V254 HydrophobicContact CZ-CB 4.08Å; F250-V254 HydrophobicContact CZ-CG2 3.67Å; F250-V254 VanDerWaalsContact O-CB 3.26Å; F250-V254 WeakPolarHBondContact O-CB 3.22Å; F250-V254 WeakPolarHBondContact O-CG1 3.38Å; F250-V254 PolarHBondContact O-N 3.13Å; V254-V257 PolarHBondContact O-N 3.47Å; V254-R258 WeakPolarHBondContact O-CB 3.37Å; V254-R258 PolarHBondContact O-N 2.9Å
255	D	91.6	Very high	92.5	Very high	89 Å²	89	89.4 Å²	89.4	48%	0.476	44%	0.443	S	S	.	.	H	α-helix	trans	-73.9	-32.2	179.3	-77.7	-20.5	0	0	0	112.7	K253 R258 Q259	K253-D255 VanDerWaalsContact C-N 3.3Å; K253-D255 PolarHBondContact O-N 3.27Å; D255-R258 PolarHBondContact O-N 3.43Å; D255-R258 IonicContact OD1-NE 3.4Å; D255-R258 PolarHBondContact OD1-NE 2.88Å; D255-Q259 WeakPolarHBondContact O-CG 3.4Å; D255-Q259 PolarHBondContact O-N 2.94Å
256	D	92.7	Very high	92.5	Very high	86 Å²	86	92.8 Å²	92.8	46%	0.46	46%	0.459	S	S	.	.	H	α-helix	trans	-62.4	-48.3	170.5	175.6	75.2	0	0	0	110.8	K253 R258 Q259 R260	K253-D256 PolarHBondContact O-N 2.9Å; D256-R258 VanDerWaalsContact C-N 3.31Å; D256-R258 PolarHBondContact O-N 3.43Å; D256-Q259 PolarHBondContact O-N 3.26Å; D256-R260 WeakPolarHBondContact O-CG 3.37Å; D256-R260 PolarHBondContact O-N 3.28Å; D256-R260 WeakPolarHBondContact OD2-CD 3.27Å
257	V	93.1	Very high	92.4	Very high	10 Å²	10	93.9 Å²	93.9	6%	0.061	45%	0.452	C	S	.	.	H	α-helix	trans	-62	-41	177.1	177.7	0	0	0	0	111.3	L238 T239 L242 K253 V254 Q259 R260 V261	L238-V257 HydrophobicContact CD2-CG2 3.54Å; L238-V257 HydrophobicContact CG-CG2 4.06Å; T239-V257 WeakPolarHBondContact OG1-CG1 3.49Å; L242-V257 HydrophobicContact CD1-CB 4.26Å; L242-V257 HydrophobicContact CD1-CG2 3.5Å; K253-V257 PolarHBondContact O-N 3.46Å; V254-V257 PolarHBondContact O-N 3.47Å; V257-Q259 VanDerWaalsContact C-N 3.35Å; V257-Q259 PolarHBondContact O-N 3.45Å; V257-R260 PolarHBondContact O-N 2.89Å; V257-V261 HydrophobicContact CG1-CG2 4.37Å; V257-V261 VanDerWaalsContact O-CG2 3.32Å; V257-V261 WeakPolarHBondContact O-CG2 3.39Å; V257-V261 PolarHBondContact O-N 3.35Å
258	R	93.8	Very high	92.2	Very high	163 Å²	163	95.5 Å²	95.5	62%	0.615	46%	0.456	S	S	*	.	H	α-helix	trans	-57.9	-46.7	175.6	-171.2	-169.1	-59.8	-97.3	-2.1	111.3	V254 D255 D256 V261 E262	V254-R258 WeakPolarHBondContact O-CB 3.37Å; V254-R258 PolarHBondContact O-N 2.9Å; D255-R258 PolarHBondContact O-N 3.43Å; D255-R258 IonicContact OD1-NE 3.4Å; D255-R258 PolarHBondContact OD1-NE 2.88Å; D256-R258 VanDerWaalsContact C-N 3.31Å; D256-R258 PolarHBondContact O-N 3.43Å; R258-V261 PolarHBondContact O-N 2.84Å; R258-E262 PolarHBondContact O-N 3.43Å; R258-E262 VanDerWaalsContact O-N 3.1Å
259	Q	93.8	Very high	92.1	Very high	127 Å²	127	95.6 Å²	95.6	59%	0.593	46%	0.457	S	S	*	.	H	α-helix	trans	-64.7	-44	177.6	-72.6	179.4	6.8	0	0	112.1	D255 D256 V257 V261 E262 I263	D255-Q259 WeakPolarHBondContact O-CG 3.4Å; D255-Q259 PolarHBondContact O-N 2.94Å; D256-Q259 PolarHBondContact O-N 3.26Å; V257-Q259 VanDerWaalsContact C-N 3.35Å; V257-Q259 PolarHBondContact O-N 3.45Å; Q259-V261 VanDerWaalsContact C-N 3.34Å; Q259-V261 PolarHBondContact O-N 2.99Å; Q259-E262 PolarHBondContact O-N 2.94Å; Q259-I263 VanDerWaalsContact O-CG1 3.3Å; Q259-I263 WeakPolarHBondContact O-CG1 3.2Å; Q259-I263 PolarHBondContact O-N 2.94Å
260	R	95	Very high	92	Very high	83 Å²	83	92.2 Å²	92.2	31%	0.313	45%	0.446	S	S	.	.	H	α-helix	trans	-61.8	-40	178.1	-70.5	174.9	66.5	-174.6	-2.5	112.2	E234 L235 D256 V257 L264	E234-R260 IonicContact OE1-CZ 3.92Å; E234-R260 IonicContact OE1-NH2 3.89Å; E234-R260 PolarHBondContact OE1-NH2 3.33Å; E234-R260 IonicContact OE2-NH2 3.82Å; L235-R260 HydrophobicContact CD1-CB 4.11Å; L235-R260 HydrophobicContact CD2-CB 3.76Å; D256-R260 WeakPolarHBondContact O-CG 3.37Å; D256-R260 PolarHBondContact O-N 3.28Å; D256-R260 WeakPolarHBondContact OD2-CD 3.27Å; V257-R260 PolarHBondContact O-N 2.89Å; R260-L264 VanDerWaalsContact O-CB 3.28Å; R260-L264 WeakPolarHBondContact O-CB 3.35Å; R260-L264 PolarHBondContact O-N 3.06Å; R260-L264 VanDerWaalsContact O-N 3.07Å
261	V	94.6	Very high	91.5	Very high	54 Å²	54	96.4 Å²	96.4	33%	0.327	47%	0.467	S	S	.	.	H	α-helix	trans	-63.9	-45.5	175.2	170.1	0	0	0	0	111	L235 V257 R258 Q259 L264 K265	L235-V261 HydrophobicContact CD1-CG2 4.11Å; V257-V261 HydrophobicContact CG1-CG2 4.37Å; V257-V261 VanDerWaalsContact O-CG2 3.32Å; V257-V261 WeakPolarHBondContact O-CG2 3.39Å; V257-V261 PolarHBondContact O-N 3.35Å; R258-V261 PolarHBondContact O-N 2.84Å; Q259-V261 VanDerWaalsContact C-N 3.34Å; Q259-V261 PolarHBondContact O-N 2.99Å; V261-L264 PolarHBondContact O-N 3.31Å; V261-K265 HydrophobicContact CG1-CG 4.21Å; V261-K265 WeakPolarHBondContact O-CB 3.49Å; V261-K265 VanDerWaalsContact O-CG 3.29Å; V261-K265 WeakPolarHBondContact O-CG 3.3Å; V261-K265 PolarHBondContact O-N 3.38Å
262	E	93.4	Very high	91.2	Very high	104 Å²	104	96 Å²	96	49%	0.486	47%	0.469	S	S	.	.	H	α-helix	trans	-62.1	-49	-179.8	-169.5	60.1	-145.9	0	0	111.4	R258 Q259 L264 K265 Q266	R258-E262 PolarHBondContact O-N 3.43Å; R258-E262 VanDerWaalsContact O-N 3.1Å; Q259-E262 PolarHBondContact O-N 2.94Å; E262-L264 VanDerWaalsContact C-N 3.27Å; E262-L264 PolarHBondContact O-N 3.43Å; E262-K265 PolarHBondContact O-N 2.99Å; E262-Q266 WeakPolarHBondContact O-CG 3.46Å; E262-Q266 PolarHBondContact O-N 2.75Å; E262-Q266 PolarHBondContact OE1-NE2 2.86Å
263	I	93.6	Very high	90.9	Very high	104 Å²	104	94.9 Å²	94.9	53%	0.533	46%	0.463	S	S	.	.	H	α-helix	trans	-56.9	-44	177	-68.9	165.8	0	0	0	110.7	Q259 Q266	Q259-I263 VanDerWaalsContact O-CG1 3.3Å; Q259-I263 WeakPolarHBondContact O-CG1 3.2Å; Q259-I263 PolarHBondContact O-N 2.94Å; I263-Q266 PolarHBondContact O-N 3.46Å
264	L	92.6	Very high	90.6	Very high	10 Å²	10	94.2 Å²	94.2	5%	0.052	47%	0.467	C	S	.	.	H	α-helix	trans	-70.8	-39	-177.3	-169.4	149.2	0	0	0	111.8	I228 Q231 Q232 L235 R260 V261 E262 Q266 R267	I228-L264 HydrophobicContact CG2-CD2 4.06Å; I228-L264 HydrophobicContact CG2-CG 4.39Å; Q231-L264 HydrophobicContact CB-CD1 3.41Å; Q231-L264 VanDerWaalsContact CB-CD1 3.41Å; Q232-L264 HydrophobicContact CG-CD1 4.11Å; Q232-L264 HydrophobicContact CG-CD2 3.17Å; Q232-L264 HydrophobicContact CG-CG 4.29Å; L235-L264 HydrophobicContact CD1-CD1 4.13Å; R260-L264 VanDerWaalsContact O-CB 3.28Å; R260-L264 WeakPolarHBondContact O-CB 3.35Å; R260-L264 PolarHBondContact O-N 3.06Å; R260-L264 VanDerWaalsContact O-N 3.07Å; V261-L264 PolarHBondContact O-N 3.31Å; E262-L264 VanDerWaalsContact C-N 3.27Å; E262-L264 PolarHBondContact O-N 3.43Å; L264-Q266 VanDerWaalsContact C-N 3.28Å; L264-Q266 PolarHBondContact O-N 3.12Å; L264-R267 PolarHBondContact O-N 3.19Å
265	K	90.3	Very high	90.3	Very high	149 Å²	149	94.9 Å²	94.9	65%	0.648	47%	0.471	S	S	*	.	H	α-helix	trans	-67	-27.8	177.6	-75.7	-69.4	-175.4	-176.8	0	113.1	V261 E262 R267	V261-K265 HydrophobicContact CG1-CG 4.21Å; V261-K265 WeakPolarHBondContact O-CB 3.49Å; V261-K265 VanDerWaalsContact O-CG 3.29Å; V261-K265 WeakPolarHBondContact O-CG 3.3Å; V261-K265 PolarHBondContact O-N 3.38Å; E262-K265 PolarHBondContact O-N 2.99Å; K265-R267 VanDerWaalsContact C-N 3.33Å
266	Q	91.8	Very high	90.1	Very high	134 Å²	134	94.6 Å²	94.6	63%	0.626	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.3	177.2	-68.7	-179.9	10.3	0	0	113.9	E262 I263 L264	E262-Q266 WeakPolarHBondContact O-CG 3.46Å; E262-Q266 PolarHBondContact O-N 2.75Å; E262-Q266 PolarHBondContact OE1-NE2 2.86Å; I263-Q266 PolarHBondContact O-N 3.46Å; L264-Q266 VanDerWaalsContact C-N 3.28Å; L264-Q266 PolarHBondContact O-N 3.12Å
267	R	89.4	Confident	90	Very high	93 Å²	93	92.4 Å²	92.4	35%	0.351	46%	0.455	S	S	.	.	S	Bend	trans	-66.6	131.8	178.8	-72.4	-170.2	-176.4	162.9	10.7	111.5	I228 Q231 L264 K265	I228-R267 HydrophobicContact CD1-CB 4.33Å; Q231-R267 VanDerWaalsContact OE1-CZ 3.25Å; L264-R267 PolarHBondContact O-N 3.19Å; K265-R267 VanDerWaalsContact C-N 3.33Å
268	P	87.6	Confident	89.7	Confident	110 Å²	110	99.2 Å²	99.2	71%	0.714	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-70.1	137	-178.4	28.4	-34.4	0	0	0	111.5
269	L	89	Confident	89.4	Confident	134 Å²	134	92.5 Å²	92.5	70%	0.702	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-86.3	137.5	171.9	-58.7	178.9	0	0	0	109.6	M225	M225-L269 HydrophobicContact SD-CD2 3.91Å
270	P	86.3	Confident	89.2	Confident	38 Å²	38	93.3 Å²	93.3	25%	0.247	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-69.1	144.5	176.9	29.4	-33.6	0	0	0	110.9	M225	M225-P270 HydrophobicContact CE-CG 3.81Å; M225-P270 HydrophobicContact CG-CG 4.27Å; M225-P270 WeakPolarHBondContact SD-CD 3.13Å; M225-P270 HydrophobicContact SD-CG 3.99Å
271	E	84.8	Confident	89	Confident	164 Å²	164	90.5 Å²	90.5	77%	0.766	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-80	123.9	171.1	-171.4	179.4	-179.5	0	0	109.8	Q273	E271-Q273 PolarHBondContact O-N 3.33Å
272	V	86.1	Confident	88.7	Confident	112 Å²	112	91.8 Å²	91.8	68%	0.679	46%	0.46	S	S	*	.			trans	-81.5	107.4	-178.7	-177	0	0	0	0	109.7
273	Q	83.6	Confident	88.4	Confident	119 Å²	119	90.8 Å²	90.8	56%	0.556	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-89.3	123.1	172.8	-65.4	-167.5	-3.4	0	0	110.9	Y218 E271	Y218-Q273 PolarHBondContact OH-O 2.84Å; E271-Q273 PolarHBondContact O-N 3.33Å
274	P	86.4	Confident	88.1	Confident	66 Å²	66	86.2 Å²	86.2	43%	0.429	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-71.7	130	176	26.3	-31.3	0	0	0	111.3	K310	P274-K310 HydrophobicContact CB-CB 4.18Å; P274-K310 HydrophobicContact CG-CB 4.1Å; P274-K310 PolarHBondContact O-N 3.14Å
275	V	87.7	Confident	87.9	Confident	43 Å²	43	89.4 Å²	89.4	26%	0.261	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.4	178.3	149	0	0	0	0	110.6	I214 Y218 I307	I214-V275 HydrophobicContact CG1-CG1 4.32Å; Y218-V275 HydrophobicContact CE2-CB 4.23Å; Y218-V275 HydrophobicContact CE2-CG2 4.35Å; Y218-V275 WeakPolarHBondContact OH-CB 3.47Å; Y218-V275 PolarHBondContact OH-N 3.06Å; V275-I307 HydrophobicContact CB-CG2 3.84Å; V275-I307 HydrophobicContact CG1-CB 4.04Å; V275-I307 HydrophobicContact CG1-CD1 4.17Å; V275-I307 HydrophobicContact CG1-CG1 4Å; V275-I307 HydrophobicContact CG1-CG2 3.19Å; V275-I307 HydrophobicContact CG2-CG2 3.39Å
276	E	87.6	Confident	87.7	Confident	83 Å²	83	90 Å²	90	39%	0.388	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.8	168.5	-77.8	-175.5	163.7	0	0	111.8	S308 K310	E276-S308 PolarHBondContact N-O 2.99Å; E276-S308 PolarHBondContact O-N 3.26Å; E276-S308 PolarHBondContact O-OG 2.78Å; E276-K310 HydrophobicContact CG-CB 3.99Å; E276-K310 HydrophobicContact CG-CD 4Å; E276-K310 HydrophobicContact CG-CG 4.09Å; E276-K310 WeakPolarHBondContact OE1-CD 3.44Å; E276-K310 WeakPolarHBondContact OE1-CE 3.48Å; E276-K310 IonicContact OE1-NZ 2.66Å; E276-K310 PolarHBondContact OE1-NZ 3.17Å
277	I	90.1	Very high	87.3	Confident	41 Å²	41	88.3 Å²	88.3	21%	0.21	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.3	176.8	-54.6	174	0	0	0	108.6	V210 I214 R280 K306	V210-I277 HydrophobicContact CG1-CB 4.42Å; V210-I277 HydrophobicContact CG1-CD1 3.78Å; V210-I277 HydrophobicContact CG1-CG1 3.72Å; V210-I277 HydrophobicContact CG1-CG2 3.96Å; I214-I277 HydrophobicContact CD1-CD1 4.06Å; I214-I277 HydrophobicContact CD1-CG1 4.32Å; I277-R280 WeakPolarHBondContact O-CD 3.43Å; I277-K306 WeakPolarHBondContact CA-O 3.41Å
278	Y	86.4	Confident	86.9	Confident	152 Å²	152	88.9 Å²	88.9	60%	0.596	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.6	176.8	-175.7	-91.8	0	0	0	111.8	K306	Y278-K306 PolarHBondContact N-O 3.34Å; Y278-K306 PolarHBondContact O-N 3.31Å
279	P	87.9	Confident	86.8	Confident	23 Å²	23	85.8 Å²	85.8	15%	0.149	42%	0.423	C	S	.	.	S	Bend	cis	-67.1	156	-13.1	27.9	-37.5	0	0	0	113.1	I284 P303	P279-I284 HydrophobicContact CB-CD1 3.77Å; P279-I284 HydrophobicContact CB-CG1 4.1Å; P279-I284 HydrophobicContact CG-CD1 3.57Å; P279-I284 HydrophobicContact CG-CG1 4.29Å; P279-P303 HydrophobicContact CG-CB 4.03Å; P279-P303 HydrophobicContact CG-CG 4Å
280	R	89.3	Confident	86.7	Confident	143 Å²	143	83.4 Å²	83.4	54%	0.54	42%	0.418	S	S	.	.			trans	-77.8	127.6	174.8	-66.4	-65.2	-64.4	-152.5	-1	110.1	I277 S282 Q283 I284	I277-R280 WeakPolarHBondContact O-CD 3.43Å; R280-S282 VanDerWaalsContact C-N 3.25Å; R280-S282 PolarHBondContact O-N 2.94Å; R280-Q283 HydrophobicContact CB-CB 4.41Å; R280-Q283 WeakPolarHBondContact O-CB 3.44Å; R280-Q283 PolarHBondContact O-N 2.93Å; R280-I284 PolarHBondContact O-N 3.32Å
281	V	90.4	Very high	86.8	Confident	24 Å²	24	91.6 Å²	91.6	15%	0.145	44%	0.444	C	S	.	.	H	α-helix	trans	-56.9	-39.3	-179.7	178.2	0	0	0	0	112.4	F203 L207 Q283 I284 L285 M305	F203-V281 HydrophobicContact CD1-CG1 4.01Å; F203-V281 HydrophobicContact CD1-CG2 4.35Å; F203-V281 HydrophobicContact CE1-CG1 4.28Å; L207-V281 HydrophobicContact CD1-CG2 4.04Å; L207-V281 HydrophobicContact CD2-CG2 3.82Å; L207-V281 HydrophobicContact CG-CG2 4Å; V281-Q283 PolarHBondContact O-N 3.17Å; V281-I284 PolarHBondContact O-N 3.42Å; V281-L285 HydrophobicContact CG1-CD1 3.8Å; V281-L285 HydrophobicContact CG1-CG 3.97Å; V281-L285 WeakPolarHBondContact O-CB 3.4Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.38Å; V281-L285 PolarHBondContact O-N 2.98Å; V281-M305 HydrophobicContact CG2-CE 3.2Å; V281-M305 HydrophobicContact CG2-SD 3.49Å; V281-M305 WeakPolarHBondContact CG2-SD 3.45Å
282	S	88.4	Confident	87	Confident	82 Å²	82	85.5 Å²	85.5	57%	0.573	42%	0.418	S	S	*	.	H	α-helix	trans	-56.9	-36.3	176.4	52.5	0	0	0	0	113	R280 K286	R280-S282 VanDerWaalsContact C-N 3.25Å; R280-S282 PolarHBondContact O-N 2.94Å; S282-K286 WeakPolarHBondContact O-CB 3.38Å; S282-K286 PolarHBondContact O-N 3.45Å
283	Q	87.1	Confident	87.3	Confident	83 Å²	83	87 Å²	87	39%	0.388	42%	0.418	S	S	.	.	H	α-helix	trans	-74.4	-46.6	178.2	-171.8	177.7	-0.9	0	0	111.2	R280 V281 L285 K286 E287	R280-Q283 HydrophobicContact CB-CB 4.41Å; R280-Q283 WeakPolarHBondContact O-CB 3.44Å; R280-Q283 PolarHBondContact O-N 2.93Å; V281-Q283 PolarHBondContact O-N 3.17Å; Q283-L285 VanDerWaalsContact C-N 3.27Å; Q283-L285 PolarHBondContact O-N 3.42Å; Q283-K286 PolarHBondContact O-N 3.09Å; Q283-K286 VanDerWaalsContact O-N 3.11Å; Q283-E287 HydrophobicContact CG-CG 4.22Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.42Å; Q283-E287 WeakPolarHBondContact CG-OE2 3.44Å; Q283-E287 PolarHBondContact NE2-OE1 3.02Å; Q283-E287 VanDerWaalsContact NE2-OE1 3.16Å; Q283-E287 PolarHBondContact NE2-OE2 2.61Å; Q283-E287 VanDerWaalsContact NE2-OE2 3.09Å; Q283-E287 WeakPolarHBondContact O-CB 3.37Å; Q283-E287 PolarHBondContact O-N 3.01Å
284	I	87.4	Confident	87.6	Confident	8 Å²	8	86.1 Å²	86.1	4%	0.041	42%	0.416	C	S	.	.	H	α-helix	trans	-56.5	-44.6	176.1	-63.7	157	0	0	0	110.9	F203 P279 R280 V281 K286 E288 W289 P303	F203-I284 HydrophobicContact CE1-CG2 4.16Å; F203-I284 HydrophobicContact CZ-CG2 4.05Å; P279-I284 HydrophobicContact CB-CD1 3.77Å; P279-I284 HydrophobicContact CB-CG1 4.1Å; P279-I284 HydrophobicContact CG-CD1 3.57Å; P279-I284 HydrophobicContact CG-CG1 4.29Å; R280-I284 PolarHBondContact O-N 3.32Å; V281-I284 PolarHBondContact O-N 3.42Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 2.91Å; I284-E288 HydrophobicContact CG2-CB 4.43Å; I284-E288 WeakPolarHBondContact O-CB 3.33Å; I284-E288 PolarHBondContact O-N 3.31Å; I284-W289 PolarHBondContact O-N 3.33Å; I284-W289 VanDerWaalsContact O-N 3.16Å; I284-P303 HydrophobicContact CD1-CG 3.36Å; I284-P303 HydrophobicContact CG1-CG 4.04Å; I284-P303 HydrophobicContact CG2-CG 4.34Å
285	L	88.6	Confident	87.6	Confident	77 Å²	77	85.8 Å²	85.8	40%	0.403	42%	0.424	S	S	.	.	I	π-helix	trans	-64.2	-40.1	179.4	-69.5	179.3	0	0	0	111.8	F203 V281 Q283 W289 S290	F203-L285 HydrophobicContact CE2-CD2 4.11Å; F203-L285 HydrophobicContact CZ-CD2 4.16Å; V281-L285 HydrophobicContact CG1-CD1 3.8Å; V281-L285 HydrophobicContact CG1-CG 3.97Å; V281-L285 WeakPolarHBondContact O-CB 3.4Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.38Å; V281-L285 PolarHBondContact O-N 2.98Å; Q283-L285 VanDerWaalsContact C-N 3.27Å; Q283-L285 PolarHBondContact O-N 3.42Å; L285-W289 HydrophobicContact CD2-CB 4.15Å; L285-W289 HydrophobicContact CD2-CD2 4.21Å; L285-W289 HydrophobicContact CD2-CG 3.89Å; L285-S290 PolarHBondContact O-N 3.12Å; L285-S290 VanDerWaalsContact O-N 3.13Å
286	K	86.1	Confident	87.7	Confident	161 Å²	161	88.2 Å²	88.2	70%	0.7	43%	0.433	S	S	*	.	I	π-helix	trans	-73.9	-36.9	-179.6	-173	179.8	179.3	-175.2	0	113.2	S282 Q283 I284 S290	S282-K286 WeakPolarHBondContact O-CB 3.38Å; S282-K286 PolarHBondContact O-N 3.45Å; Q283-K286 PolarHBondContact O-N 3.09Å; Q283-K286 VanDerWaalsContact O-N 3.11Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 2.91Å; K286-S290 WeakPolarHBondContact O-CB 3.33Å; K286-S290 PolarHBondContact O-OG 3.21Å
287	E	83.1	Confident	87.7	Confident	98 Å²	98	85.1 Å²	85.1	46%	0.458	42%	0.419	S	S	.	.	I	π-helix	trans	-99.9	-39.2	-169.5	-67.4	176.2	-174.7	0	0	113.1	Q283 R291	Q283-E287 HydrophobicContact CG-CG 4.22Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.42Å; Q283-E287 WeakPolarHBondContact CG-OE2 3.44Å; Q283-E287 PolarHBondContact NE2-OE1 3.02Å; Q283-E287 VanDerWaalsContact NE2-OE1 3.16Å; Q283-E287 PolarHBondContact NE2-OE2 2.61Å; Q283-E287 VanDerWaalsContact NE2-OE2 3.09Å; Q283-E287 WeakPolarHBondContact O-CB 3.37Å; Q283-E287 PolarHBondContact O-N 3.01Å; E287-R291 WeakPolarHBondContact O-CD 3.22Å
288	E	81.9	Confident	87.5	Confident	105 Å²	105	90.6 Å²	90.6	49%	0.491	44%	0.441	S	S	.	.	I	π-helix	trans	-100.7	-49	-174.8	-59.5	-172.9	166.6	0	0	111.7	I284 T292	I284-E288 HydrophobicContact CG2-CB 4.43Å; I284-E288 WeakPolarHBondContact O-CB 3.33Å; I284-E288 PolarHBondContact O-N 3.31Å; E288-T292 PolarHBondContact O-N 2.95Å; E288-T292 PolarHBondContact O-OG1 3.21Å
289	W	85.3	Confident	87.5	Confident	45 Å²	45	88.3 Å²	88.3	17%	0.17	44%	0.439	C	S	.	.	I	π-helix	trans	-73.5	-38.9	-176	-87.2	63.6	0	0	0	113.6	L196 K199 F203 I284 L285 R291 T292 I297 V300	L196-W289 HydrophobicContact CD2-CZ3 4.18Å; K199-W289 HydrophobicContact CB-CH2 3.37Å; K199-W289 HydrophobicContact CB-CZ2 3.81Å; K199-W289 HydrophobicContact CB-CZ3 4.47Å; K199-W289 HydrophobicContact CD-CH2 4.26Å; K199-W289 HydrophobicContact CD-CZ2 4.13Å; K199-W289 HydrophobicContact CG-CH2 3.69Å; K199-W289 HydrophobicContact CG-CZ2 4.06Å; F203-W289 HydrophobicContact CE2-CD2 4.3Å; F203-W289 AromaticContact CE2-CE2 3.51Å; F203-W289 AromaticContact CE2-CZ2 3.65Å; F203-W289 HydrophobicContact CE2-CZ2 3.65Å; F203-W289 AromaticContact CE2-NE1 3.46Å; F203-W289 AromaticContact CZ-CD1 3.97Å; F203-W289 AromaticContact CZ-CE2 3.95Å; F203-W289 HydrophobicContact CZ-CZ2 4.43Å; F203-W289 AromaticContact CZ-NE1 3.38Å; I284-W289 PolarHBondContact O-N 3.33Å; I284-W289 VanDerWaalsContact O-N 3.16Å; L285-W289 HydrophobicContact CD2-CB 4.15Å; L285-W289 HydrophobicContact CD2-CD2 4.21Å; L285-W289 HydrophobicContact CD2-CG 3.89Å; W289-R291 PolarHBondContact O-N 3.45Å; W289-R291 VanDerWaalsContact O-N 3.15Å; W289-T292 WeakPolarHBondContact O-CB 3.44Å; W289-T292 PolarHBondContact O-N 2.86Å; W289-T292 VanDerWaalsContact O-N 3.09Å; W289-I297 HydrophobicContact CH2-CG2 4.02Å; W289-I297 HydrophobicContact CZ3-CG2 4.14Å; W289-V300 HydrophobicContact CZ2-CB 4.45Å; W289-V300 HydrophobicContact CZ2-CG1 4.23Å
290	S	85.8	Confident	87.4	Confident	84 Å²	84	88.2 Å²	88.2	59%	0.587	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.5	179.9	71.2	0	0	0	0	113.7	L285 K286	L285-S290 PolarHBondContact O-N 3.12Å; L285-S290 VanDerWaalsContact O-N 3.13Å; K286-S290 WeakPolarHBondContact O-CB 3.33Å; K286-S290 PolarHBondContact O-OG 3.21Å
291	R	88.2	Confident	87.1	Confident	210 Å²	210	88.6 Å²	88.6	79%	0.792	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.5	-179.7	-62	-179.2	177.9	171.4	-1.3	113.2	E287 W289 E293	E287-R291 WeakPolarHBondContact O-CD 3.22Å; W289-R291 PolarHBondContact O-N 3.45Å; W289-R291 VanDerWaalsContact O-N 3.15Å; R291-E293 PolarHBondContact O-N 3.2Å
292	T	89.5	Confident	86.8	Confident	37 Å²	37	89.3 Å²	89.3	23%	0.227	45%	0.453	C	S	.	.			trans	-76.8	125.3	-177.1	-64.1	0	0	0	0	109.9	E288 W289 Q296 I297 V300	E288-T292 PolarHBondContact O-N 2.95Å; E288-T292 PolarHBondContact O-OG1 3.21Å; W289-T292 WeakPolarHBondContact O-CB 3.44Å; W289-T292 PolarHBondContact O-N 2.86Å; W289-T292 VanDerWaalsContact O-N 3.09Å; T292-Q296 HydrophobicContact CG2-CB 4.11Å; T292-I297 HydrophobicContact CG2-CG1 3.87Å; T292-V300 HydrophobicContact CG2-CG2 3.38Å
293	E	91.8	Very high	86.5	Confident	144 Å²	144	87.1 Å²	87.1	67%	0.673	44%	0.437	S	S	*	.			trans	-66.5	144.9	171.7	-64.7	179.5	179.1	0	0	111.5	R291 G295 Q296 I297	R291-E293 PolarHBondContact O-N 3.2Å; E293-G295 PolarHBondContact O-N 2.96Å; E293-G295 VanDerWaalsContact O-N 3.1Å; E293-Q296 HydrophobicContact CB-CG 4.3Å; E293-Q296 WeakPolarHBondContact O-CA 3.44Å; E293-Q296 PolarHBondContact O-N 3.09Å; E293-I297 PolarHBondContact O-N 3.3Å
294	I	89.8	Confident	86.3	Confident	99 Å²	99	91.8 Å²	91.8	51%	0.508	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-50.9	-42.2	-177	-66	177	0	0	0	112.2	L192 Q296 I297	L192-I294 HydrophobicContact CD1-CG2 3.66Å; L192-I294 HydrophobicContact CD2-CG2 3.66Å; L192-I294 HydrophobicContact CG-CG2 4.31Å; I294-Q296 PolarHBondContact O-N 3.2Å; I294-I297 HydrophobicContact CB-CD1 4.5Å; I294-I297 WeakPolarHBondContact O-CG1 3.28Å; I294-I297 PolarHBondContact O-N 2.9Å
295	G	86.4	Confident	86.3	Confident	59 Å²	59	92.1 Å²	92.1	61%	0.608	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-67.7	-17.8	178.8	0	0	0	0	0	115	E293	E293-G295 PolarHBondContact O-N 2.96Å; E293-G295 VanDerWaalsContact O-N 3.1Å
296	Q	89.6	Confident	86.3	Confident	95 Å²	95	95.1 Å²	95.1	44%	0.444	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-98.6	-10.2	-178.5	-62.2	-62.1	-24.3	0	0	113.2	T292 E293 I294 K298 N299 V300	T292-Q296 HydrophobicContact CG2-CB 4.11Å; E293-Q296 HydrophobicContact CB-CG 4.3Å; E293-Q296 WeakPolarHBondContact O-CA 3.44Å; E293-Q296 PolarHBondContact O-N 3.09Å; I294-Q296 PolarHBondContact O-N 3.2Å; Q296-K298 PolarHBondContact O-N 2.69Å; Q296-K298 VanDerWaalsContact O-N 3.11Å; Q296-N299 WeakPolarHBondContact O-CA 2.98Å; Q296-N299 WeakPolarHBondContact O-CB 2.91Å; Q296-N299 PolarHBondContact O-N 2.7Å; Q296-N299 PolarHBondContact OE1-ND2 3.23Å; Q296-N299 VanDerWaalsContact OE1-ND2 3.11Å; Q296-V300 PolarHBondContact O-N 3.11Å
297	I	88.7	Confident	86.4	Confident	17 Å²	17	89.4 Å²	89.4	9%	0.087	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-53	-39.9	-176	-66.6	176.8	0	0	0	111.9	L192 T195 L196 K199 W289 T292 E293 I294 N299 V300	L192-I297 HydrophobicContact CD1-CD1 4.22Å; T195-I297 HydrophobicContact CG2-CG2 4.14Å; L196-I297 HydrophobicContact CD2-CD1 4Å; L196-I297 HydrophobicContact CD2-CG2 3.95Å; K199-I297 WeakPolarHBondContact CE-O 3.5Å; W289-I297 HydrophobicContact CH2-CG2 4.02Å; W289-I297 HydrophobicContact CZ3-CG2 4.14Å; T292-I297 HydrophobicContact CG2-CG1 3.87Å; E293-I297 PolarHBondContact O-N 3.3Å; I294-I297 HydrophobicContact CB-CD1 4.5Å; I294-I297 WeakPolarHBondContact O-CG1 3.28Å; I294-I297 PolarHBondContact O-N 2.9Å; I297-N299 PolarHBondContact O-N 2.88Å; I297-V300 PolarHBondContact O-N 3.41Å
298	K	86.8	Confident	86.2	Confident	156 Å²	156	86.9 Å²	86.9	68%	0.678	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-57.9	-36.3	177.4	-172.7	175.5	-179.6	176.1	0	112.5	T195 K199 Q296	T195-K298 HydrophobicContact CG2-CB 4.14Å; K199-K298 WeakPolarHBondContact CE-O 3.18Å; K199-K298 PolarHBondContact NZ-O 3.27Å; Q296-K298 PolarHBondContact O-N 2.69Å; Q296-K298 VanDerWaalsContact O-N 3.11Å
299	N	85.8	Confident	85.9	Confident	104 Å²	104	86.3 Å²	86.3	56%	0.556	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-85.7	-15.3	-175	-59.5	-29.5	0	0	0	113.4	Q296 I297 L301	Q296-N299 WeakPolarHBondContact O-CA 2.98Å; Q296-N299 WeakPolarHBondContact O-CB 2.91Å; Q296-N299 PolarHBondContact O-N 2.7Å; Q296-N299 PolarHBondContact OE1-ND2 3.23Å; Q296-N299 VanDerWaalsContact OE1-ND2 3.11Å; I297-N299 PolarHBondContact O-N 2.88Å; N299-L301 PolarHBondContact O-N 2.95Å; N299-L301 VanDerWaalsContact O-N 3.13Å
300	V	85.8	Confident	85	Confident	22 Å²	22	88.5 Å²	88.5	13%	0.133	45%	0.453	C	S	.	.			trans	-62.3	118.4	179.7	179.5	0	0	0	0	110.3	K199 W289 T292 Q296 I297	K199-V300 PolarHBondContact NZ-O 3.22Å; W289-V300 HydrophobicContact CZ2-CB 4.45Å; W289-V300 HydrophobicContact CZ2-CG1 4.23Å; T292-V300 HydrophobicContact CG2-CG2 3.38Å; Q296-V300 PolarHBondContact O-N 3.11Å; I297-V300 PolarHBondContact O-N 3.41Å
301	L	82.7	Confident	83.4	Confident	150 Å²	150	95.7 Å²	95.7	79%	0.785	47%	0.467	S	S	*	.			trans	-76.8	137	176.7	-64	176.2	0	0	0	109.6	N299 P303	N299-L301 PolarHBondContact O-N 2.95Å; N299-L301 VanDerWaalsContact O-N 3.13Å; L301-P303 WeakPolarHBondContact O-CD 3.33Å
302	I	85	Confident	80.9	Confident	40 Å²	40	93.6 Å²	93.6	21%	0.205	47%	0.468	C	S	.	.			trans	-86.7	115.4	172.1	-66.9	167.6	0	0	0	106.9	K199 F203	K199-I302 HydrophobicContact CB-CD1 4.44Å; K199-I302 HydrophobicContact CD-CD1 4Å; K199-I302 HydrophobicContact CD-CG1 4.47Å; K199-I302 WeakPolarHBondContact O-CD1 3.34Å; F203-I302 HydrophobicContact CD1-CG2 3.86Å; F203-I302 HydrophobicContact CD2-CD1 3.99Å; F203-I302 HydrophobicContact CD2-CG1 4.2Å; F203-I302 HydrophobicContact CE1-CG1 4.44Å; F203-I302 HydrophobicContact CE1-CG2 3.91Å; F203-I302 HydrophobicContact CE2-CD1 4.18Å; F203-I302 HydrophobicContact CE2-CG1 3.95Å; F203-I302 HydrophobicContact CG-CD1 4.37Å; F203-I302 HydrophobicContact CG-CG2 4.28Å; F203-I302 HydrophobicContact CZ-CG1 4.07Å; F203-I302 HydrophobicContact CZ-CG2 4.37Å
303	P	80.5	Confident	78.4	Confident	36 Å²	36	96.3 Å²	96.3	23%	0.234	49%	0.487	C	S	.	.			trans	-64.4	139.4	-177.7	25.8	-33.9	0	0	0	110.1	P279 I284 L301 M305	P279-P303 HydrophobicContact CG-CB 4.03Å; P279-P303 HydrophobicContact CG-CG 4Å; I284-P303 HydrophobicContact CD1-CG 3.36Å; I284-P303 HydrophobicContact CG1-CG 4.04Å; I284-P303 HydrophobicContact CG2-CG 4.34Å; L301-P303 WeakPolarHBondContact O-CD 3.33Å; P303-M305 PolarHBondContact O-N 3.12Å; P303-M305 VanDerWaalsContact O-N 3.12Å
304	K	83.6	Confident	75.6	Confident	181 Å²	181	94.7 Å²	94.7	79%	0.787	49%	0.49	S	S	*	.			trans	-67	112.6	174.7	-70.3	-172.9	178.1	-176.2	0	109
305	M	87.8	Confident	73.2	Confident	15 Å²	15	95.1 Å²	95.1	7%	0.074	50%	0.502	C	S	.	.			trans	-72.8	140.8	174.8	-60	172.3	-145.9	0	0	109.7	F203 A206 L207 V210 V281 P303	F203-M305 HydrophobicContact CD1-CE 3.77Å; F203-M305 HydrophobicContact CE1-CE 4.4Å; A206-M305 HydrophobicContact CB-CE 3.73Å; A206-M305 HydrophobicContact CB-SD 4.28Å; L207-M305 HydrophobicContact CD2-CE 4.38Å; L207-M305 HydrophobicContact CD2-SD 3.46Å; L207-M305 WeakPolarHBondContact CD2-SD 3.18Å; L207-M305 HydrophobicContact CG-CE 4.06Å; L207-M305 HydrophobicContact CG-SD 3.69Å; V210-M305 HydrophobicContact CG2-CB 3.49Å; V210-M305 VanDerWaalsContact CG2-CB 3.49Å; V281-M305 HydrophobicContact CG2-CE 3.2Å; V281-M305 HydrophobicContact CG2-SD 3.49Å; V281-M305 WeakPolarHBondContact CG2-SD 3.45Å; P303-M305 PolarHBondContact O-N 3.12Å; P303-M305 VanDerWaalsContact O-N 3.12Å
306	K	87.4	Confident	70.6	Confident	139 Å²	139	100.7 Å²	100.7	60%	0.604	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.3	-177.3	-64	-179.9	-176.7	178	0	110	I277 Y278	I277-K306 WeakPolarHBondContact CA-O 3.41Å; Y278-K306 PolarHBondContact N-O 3.34Å; Y278-K306 PolarHBondContact O-N 3.31Å
307	I	88.3	Confident	68.2	Low	42 Å²	42	101.8 Å²	101.8	22%	0.215	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	131.9	165.4	-67.9	179.8	0	0	0	107.6	V210 L213 I214 V275	V210-I307 HydrophobicContact CG1-CD1 4.44Å; V210-I307 HydrophobicContact CG1-CG1 3.93Å; L213-I307 HydrophobicContact CB-CD1 3.41Å; L213-I307 VanDerWaalsContact CB-CD1 3.41Å; L213-I307 HydrophobicContact CB-CG1 4.33Å; I214-I307 HydrophobicContact CB-CD1 4.23Å; I214-I307 HydrophobicContact CG1-CD1 3.4Å; I214-I307 VanDerWaalsContact CG1-CD1 3.4Å; I214-I307 HydrophobicContact CG1-CG1 4.17Å; I214-I307 VanDerWaalsContact N-CD1 3.33Å; V275-I307 HydrophobicContact CB-CG2 3.84Å; V275-I307 HydrophobicContact CG1-CB 4.04Å; V275-I307 HydrophobicContact CG1-CD1 4.17Å; V275-I307 HydrophobicContact CG1-CG1 4Å; V275-I307 HydrophobicContact CG1-CG2 3.19Å; V275-I307 HydrophobicContact CG2-CG2 3.39Å
308	S	80.2	Confident	65.9	Low	44 Å²	44	106.2 Å²	106.2	31%	0.308	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.3	174	50.6	0	0	0	0	110.2	E276 K310	E276-S308 PolarHBondContact N-O 2.99Å; E276-S308 PolarHBondContact O-N 3.26Å; E276-S308 PolarHBondContact O-OG 2.78Å; S308-K310 PolarHBondContact O-N 3.35Å
309	P	74.9	Confident	63.7	Low	94 Å²	94	104.6 Å²	104.6	61%	0.61	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.7	174	24.8	-30.1	0	0	0	109.3	R311	P309-R311 PolarHBondContact O-N 2.94Å; P309-R311 VanDerWaalsContact O-N 3.11Å
310	K	66.7	Low	61.8	Low	90 Å²	90	105.3 Å²	105.3	39%	0.391	54%	0.543	S	S	.	.			trans	-68.6	108.6	178.1	-173.9	177.7	-173.7	144.6	0	109.1	P274 E276 S308 M312	P274-K310 HydrophobicContact CB-CB 4.18Å; P274-K310 HydrophobicContact CG-CB 4.1Å; P274-K310 PolarHBondContact O-N 3.14Å; E276-K310 HydrophobicContact CG-CB 3.99Å; E276-K310 HydrophobicContact CG-CD 4Å; E276-K310 HydrophobicContact CG-CG 4.09Å; E276-K310 WeakPolarHBondContact OE1-CD 3.44Å; E276-K310 WeakPolarHBondContact OE1-CE 3.48Å; E276-K310 IonicContact OE1-NZ 2.66Å; E276-K310 PolarHBondContact OE1-NZ 3.17Å; S308-K310 PolarHBondContact O-N 3.35Å; K310-M312 PolarHBondContact O-N 3.45Å; K310-M312 VanDerWaalsContact O-N 3.16Å
311	R	52.5	Low	59.8	Low	235 Å²	235	111.5 Å²	111.5	89%	0.887	57%	0.571	S	S	*	*			trans	-71.4	105.3	161.7	-81.8	-172.5	-171.8	171.5	3.6	107	P309 P313	P309-R311 PolarHBondContact O-N 2.94Å; P309-R311 VanDerWaalsContact O-N 3.11Å; R311-P313 WeakPolarHBondContact O-CD 3.29Å
312	M	34.6	Very low	58.1	Low	166 Å²	166	110.9 Å²	110.9	82%	0.818	56%	0.562	S	S	*	*			trans	-57.9	114.4	-177.8	-157.8	141.9	111.6	0	0	111.2	K310	K310-M312 PolarHBondContact O-N 3.45Å; K310-M312 VanDerWaalsContact O-N 3.16Å
313	P	38.1	Very low	56.3	Low	95 Å²	95	114.2 Å²	114.2	62%	0.617	58%	0.577	S	S	*	*			trans	-94.9	131.7	157.4	5	19.3	0	0	0	107	R311 S315	R311-P313 WeakPolarHBondContact O-CD 3.29Å; P313-S315 PolarHBondContact O-N 3.26Å
314	C	32	Very low	54.9	Low	110 Å²	110	117.5 Å²	117.5	74%	0.743	59%	0.591	S	S	*	*	S	Bend	trans	-52.7	131	175	-70.3	0	0	0	0	111.4
315	S	39.4	Very low	53.5	Low	108 Å²	108	114.8 Å²	114.8	76%	0.755	58%	0.581	S	S	*	*			trans	40.5	99.9	156.9	65.4	0	0	0	0	117.9	P313	P313-S315 PolarHBondContact O-N 3.26Å
316	W	31.9	Very low	51.8	Low	176 Å²	176	120.5 Å²	120.5	67%	0.667	61%	0.606	S	S	*	*			trans	-134.1	105.2	157.3	-79.3	74.1	0	0	0	109.6	K319	W316-K319 HydrophobicContact CE3-CB 3.8Å; W316-K319 HydrophobicContact CE3-CD 3.8Å; W316-K319 HydrophobicContact CE3-CG 4.37Å; W316-K319 HydrophobicContact CH2-CD 3.25Å; W316-K319 HydrophobicContact CH2-CG 4.5Å; W316-K319 HydrophobicContact CZ2-CD 4.13Å; W316-K319 HydrophobicContact CZ3-CB 3.52Å; W316-K319 HydrophobicContact CZ3-CD 3.06Å; W316-K319 HydrophobicContact CZ3-CG 3.91Å
317	S	38.7	Very low	50	Low	118 Å²	118	119.7 Å²	119.7	83%	0.825	60%	0.603	S	S	*	*	S	Bend	trans	-156.8	74.5	163.5	62.6	0	0	0	0	108.1
318	D	41.5	Very low	48.3	Very low	110 Å²	110	124.3 Å²	124.3	59%	0.588	62%	0.621	S	S	*	*	S	Bend	trans	-176.3	-5.4	160	-140.8	19	0	0	0	114.7
319	K	39.8	Very low	47.6	Very low	122 Å²	122	127 Å²	127	53%	0.53	63%	0.631	S	S	.	*	H	α-helix	trans	-89	-27.7	-172.9	-93.1	178.2	172.8	-178.8	0	115.2	W316 E321 E323	W316-K319 HydrophobicContact CE3-CB 3.8Å; W316-K319 HydrophobicContact CE3-CD 3.8Å; W316-K319 HydrophobicContact CE3-CG 4.37Å; W316-K319 HydrophobicContact CH2-CD 3.25Å; W316-K319 HydrophobicContact CH2-CG 4.5Å; W316-K319 HydrophobicContact CZ2-CD 4.13Å; W316-K319 HydrophobicContact CZ3-CB 3.52Å; W316-K319 HydrophobicContact CZ3-CD 3.06Å; W316-K319 HydrophobicContact CZ3-CG 3.91Å; K319-E321 PolarHBondContact O-N 3.03Å; K319-E323 PolarHBondContact O-N 3.11Å
320	D	45.7	Very low	46.8	Very low	118 Å²	118	126.3 Å²	126.3	63%	0.631	62%	0.622	S	S	*	*	H	α-helix	trans	-75.2	-24.3	-173.6	-66.7	-20.9	0	0	0	113.3	I324	D320-I324 WeakPolarHBondContact O-CD1 3.27Å; D320-I324 WeakPolarHBondContact O-CG1 3.3Å
321	E	45.7	Very low	46.6	Very low	152 Å²	152	127 Å²	127	71%	0.71	63%	0.63	S	S	*	*	H	α-helix	trans	-78	-35.4	179.9	-154.6	163.5	-157.4	0	0	111.8	K319 E325	K319-E321 PolarHBondContact O-N 3.03Å; E321-E325 PolarHBondContact O-N 3.21Å
322	K	45.6	Very low	47.3	Very low	137 Å²	137	120.8 Å²	120.8	60%	0.596	61%	0.613	S	S	*	*	H	α-helix	trans	-74.9	-32.4	177.3	-71.3	179.8	-179.6	163.1	0	113.4	F326	K322-F326 WeakPolarHBondContact O-CB 3.31Å; K322-F326 PolarHBondContact O-N 3.48Å
323	E	47.9	Very low	49	Very low	111 Å²	111	116.2 Å²	116.2	52%	0.519	59%	0.594	S	S	.	*	H	α-helix	trans	-66.7	-42.2	175.3	-80.2	-170.8	173.6	0	0	111.3	K319 E325 F326 F327	K319-E323 PolarHBondContact O-N 3.11Å; E323-E325 VanDerWaalsContact C-N 3.34Å; E323-E325 PolarHBondContact O-N 2.97Å; E323-F326 PolarHBondContact O-N 3.38Å; E323-F327 WeakPolarHBondContact O-CD2 3.42Å; E323-F327 PolarHBondContact O-N 2.96Å
324	I	50.9	Low	50.6	Low	105 Å²	105	114.8 Å²	114.8	54%	0.538	58%	0.584	S	S	.	*	H	α-helix	trans	-64.7	-39.1	178.9	-65.5	169.8	0	0	0	111.2	D320 K328	D320-I324 WeakPolarHBondContact O-CD1 3.27Å; D320-I324 WeakPolarHBondContact O-CG1 3.3Å; I324-K328 WeakPolarHBondContact O-CG 3.38Å; I324-K328 PolarHBondContact O-N 2.93Å; I324-K328 VanDerWaalsContact O-N 3.14Å
325	E	53.9	Low	52.4	Low	124 Å²	124	113.1 Å²	113.1	58%	0.579	57%	0.57	S	S	*	*	H	α-helix	trans	-70.1	-38.5	177.2	-160.1	169.3	-161.9	0	0	112.1	E321 E323 K328 I329	E321-E325 PolarHBondContact O-N 3.21Å; E323-E325 VanDerWaalsContact C-N 3.34Å; E323-E325 PolarHBondContact O-N 2.97Å; E325-K328 PolarHBondContact O-N 3.29Å; E325-I329 HydrophobicContact CG-CD1 4.45Å; E325-I329 WeakPolarHBondContact O-CG1 3.28Å; E325-I329 PolarHBondContact O-N 2.62Å
326	F	52.3	Low	53.8	Low	135 Å²	135	111.2 Å²	111.2	59%	0.592	55%	0.554	S	S	*	*	H	α-helix	trans	-63.2	-42.9	174.4	-172.8	-95.8	0	0	0	112.4	K322 E323 K328 I329 L330	K322-F326 WeakPolarHBondContact O-CB 3.31Å; K322-F326 PolarHBondContact O-N 3.48Å; E323-F326 PolarHBondContact O-N 3.38Å; F326-K328 VanDerWaalsContact C-N 3.33Å; F326-K328 PolarHBondContact O-N 2.77Å; F326-I329 PolarHBondContact O-N 3.11Å; F326-L330 HydrophobicContact CE1-CD2 4.45Å; F326-L330 VanDerWaalsContact O-CB 3.32Å; F326-L330 WeakPolarHBondContact O-CB 3.32Å; F326-L330 PolarHBondContact O-N 3.5Å
327	F	50.3	Low	55.7	Low	122 Å²	122	107.5 Å²	107.5	54%	0.535	55%	0.547	S	S	.	.	H	α-helix	trans	-67.1	-32.3	176.5	-81.9	-68.9	0	0	0	112.9	E323 N331	E323-F327 WeakPolarHBondContact O-CD2 3.42Å; E323-F327 PolarHBondContact O-N 2.96Å; F327-N331 WeakPolarHBondContact O-CB 3.38Å; F327-N331 PolarHBondContact O-N 3.43Å
328	K	52.6	Low	57.2	Low	139 Å²	139	106.6 Å²	106.6	60%	0.604	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-46.3	172.9	-76.3	178.9	179	-175	0	111.5	I324 E325 F326 N331 I332	I324-K328 WeakPolarHBondContact O-CG 3.38Å; I324-K328 PolarHBondContact O-N 2.93Å; I324-K328 VanDerWaalsContact O-N 3.14Å; E325-K328 PolarHBondContact O-N 3.29Å; F326-K328 VanDerWaalsContact C-N 3.33Å; F326-K328 PolarHBondContact O-N 2.77Å; K328-N331 PolarHBondContact O-N 2.89Å; K328-I332 WeakPolarHBondContact O-CG1 3.38Å; K328-I332 PolarHBondContact O-N 2.96Å; K328-I332 VanDerWaalsContact O-N 3.16Å
329	I	64.7	Low	58.4	Low	99 Å²	99	103 Å²	103	51%	0.508	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-43.3	178.2	-65.3	167.7	0	0	0	110.6	E325 F326 N331 I332 V333	E325-I329 HydrophobicContact CG-CD1 4.45Å; E325-I329 WeakPolarHBondContact O-CG1 3.28Å; E325-I329 PolarHBondContact O-N 2.62Å; F326-I329 PolarHBondContact O-N 3.11Å; I329-N331 VanDerWaalsContact C-N 3.34Å; I329-N331 PolarHBondContact O-N 2.93Å; I329-I332 PolarHBondContact O-N 3.47Å; I329-V333 HydrophobicContact CG2-CG2 4.49Å; I329-V333 WeakPolarHBondContact O-CG2 3.46Å; I329-V333 PolarHBondContact O-N 3.06Å
330	L	58.9	Low	60	Low	80 Å²	80	101.3 Å²	101.3	42%	0.419	52%	0.515	S	S	.	.	H	α-helix	trans	-61.4	-41.8	178.7	-171.7	66.3	0	0	0	111.8	F326 V333 V334	F326-L330 HydrophobicContact CE1-CD2 4.45Å; F326-L330 VanDerWaalsContact O-CB 3.32Å; F326-L330 WeakPolarHBondContact O-CB 3.32Å; F326-L330 PolarHBondContact O-N 3.5Å; L330-V333 PolarHBondContact O-N 3.43Å; L330-V334 WeakPolarHBondContact O-CB 3.06Å; L330-V334 VanDerWaalsContact O-CG2 3.24Å; L330-V334 WeakPolarHBondContact O-CG2 3.43Å; L330-V334 PolarHBondContact O-N 3.37Å
331	N	60.7	Low	61.2	Low	105 Å²	105	100.3 Å²	100.3	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-64.8	-39.2	176.3	-95	-33.1	0	0	0	112.8	F327 K328 I329 V334 V335	F327-N331 WeakPolarHBondContact O-CB 3.38Å; F327-N331 PolarHBondContact O-N 3.43Å; K328-N331 PolarHBondContact O-N 2.89Å; I329-N331 VanDerWaalsContact C-N 3.34Å; I329-N331 PolarHBondContact O-N 2.93Å; N331-V334 PolarHBondContact O-N 3.48Å; N331-V335 WeakPolarHBondContact O-CB 3.05Å; N331-V335 VanDerWaalsContact O-CG2 3.23Å; N331-V335 WeakPolarHBondContact O-CG2 3.49Å; N331-V335 PolarHBondContact O-N 2.8Å
332	I	68.6	Low	62.1	Low	105 Å²	105	96.7 Å²	96.7	54%	0.538	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-43.5	176.9	-67.1	166.2	0	0	0	110.5	K328 I329 V335 T336	K328-I332 WeakPolarHBondContact O-CG1 3.38Å; K328-I332 PolarHBondContact O-N 2.96Å; K328-I332 VanDerWaalsContact O-N 3.16Å; I329-I332 PolarHBondContact O-N 3.47Å; I332-V335 PolarHBondContact O-N 3.28Å; I332-T336 WeakPolarHBondContact O-CB 3.13Å; I332-T336 VanDerWaalsContact O-CG2 3.3Å; I332-T336 WeakPolarHBondContact O-CG2 3.4Å; I332-T336 PolarHBondContact O-N 3.1Å; I332-T336 PolarHBondContact O-OG1 3.42Å
333	V	70.7	Confident	63.1	Low	70 Å²	70	95.9 Å²	95.9	42%	0.424	49%	0.493	S	S	.	.	H	α-helix	trans	-64.9	-40.9	177.5	175.6	0	0	0	0	111.6	I329 L330 T336 L337	I329-V333 HydrophobicContact CG2-CG2 4.49Å; I329-V333 WeakPolarHBondContact O-CG2 3.46Å; I329-V333 PolarHBondContact O-N 3.06Å; L330-V333 PolarHBondContact O-N 3.43Å; V333-T336 WeakPolarHBondContact CA-OG1 3.16Å; V333-T336 PolarHBondContact O-OG1 3.47Å; V333-L337 HydrophobicContact CG1-CD1 3.89Å; V333-L337 WeakPolarHBondContact O-CB 3.37Å; V333-L337 WeakPolarHBondContact O-CD1 3.49Å; V333-L337 WeakPolarHBondContact O-CG 3.3Å; V333-L337 PolarHBondContact O-N 2.76Å
334	V	69.8	Low	63.9	Low	65 Å²	65	93.3 Å²	93.3	39%	0.394	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-44.2	177.7	171.4	0	0	0	0	111.4	L330 N331 T336 L337 I338	L330-V334 WeakPolarHBondContact O-CB 3.06Å; L330-V334 VanDerWaalsContact O-CG2 3.24Å; L330-V334 WeakPolarHBondContact O-CG2 3.43Å; L330-V334 PolarHBondContact O-N 3.37Å; N331-V334 PolarHBondContact O-N 3.48Å; V334-T336 PolarHBondContact O-N 3.09Å; V334-L337 PolarHBondContact O-N 3.09Å; V334-I338 HydrophobicContact CG1-CD1 3.71Å; V334-I338 HydrophobicContact CG1-CG1 4.44Å; V334-I338 VanDerWaalsContact O-CG1 3.25Å; V334-I338 WeakPolarHBondContact O-CG1 3.31Å; V334-I338 PolarHBondContact O-N 3.34Å
335	V	69.8	Low	64.7	Low	74 Å²	74	92.4 Å²	92.4	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-40.1	178.7	170.6	0	0	0	0	111.4	N331 I332 I338 S339	N331-V335 WeakPolarHBondContact O-CB 3.05Å; N331-V335 VanDerWaalsContact O-CG2 3.23Å; N331-V335 WeakPolarHBondContact O-CG2 3.49Å; N331-V335 PolarHBondContact O-N 2.8Å; I332-V335 PolarHBondContact O-N 3.28Å; V335-I338 PolarHBondContact O-N 2.84Å; V335-S339 WeakPolarHBondContact O-CB 3.43Å; V335-S339 PolarHBondContact O-N 2.6Å; V335-S339 PolarHBondContact O-OG 3.32Å
336	T	70.2	Confident	65.1	Low	68 Å²	68	88.3 Å²	88.3	42%	0.417	47%	0.465	S	S	.	.	H	α-helix	trans	-68.5	-37.3	176.3	48.8	0	0	0	0	112.8	I332 V333 V334 S339 V340	I332-T336 WeakPolarHBondContact O-CB 3.13Å; I332-T336 VanDerWaalsContact O-CG2 3.3Å; I332-T336 WeakPolarHBondContact O-CG2 3.4Å; I332-T336 PolarHBondContact O-N 3.1Å; I332-T336 PolarHBondContact O-OG1 3.42Å; V333-T336 WeakPolarHBondContact CA-OG1 3.16Å; V333-T336 PolarHBondContact O-OG1 3.47Å; V334-T336 PolarHBondContact O-N 3.09Å; T336-S339 PolarHBondContact O-N 2.94Å; T336-S339 PolarHBondContact O-OG 3.23Å; T336-V340 WeakPolarHBondContact O-CB 3.15Å; T336-V340 VanDerWaalsContact O-CG2 3.24Å; T336-V340 WeakPolarHBondContact O-CG2 3.31Å; T336-V340 PolarHBondContact O-N 2.91Å
337	L	71.8	Confident	65.8	Low	99 Å²	99	88.1 Å²	88.1	52%	0.518	46%	0.464	S	S	.	.	H	α-helix	trans	-65.7	-43.6	173.3	-80.1	163.9	0	0	0	111.6	V333 V334 S339 V340 I341	V333-L337 HydrophobicContact CG1-CD1 3.89Å; V333-L337 WeakPolarHBondContact O-CB 3.37Å; V333-L337 WeakPolarHBondContact O-CD1 3.49Å; V333-L337 WeakPolarHBondContact O-CG 3.3Å; V333-L337 PolarHBondContact O-N 2.76Å; V334-L337 PolarHBondContact O-N 3.09Å; L337-S339 PolarHBondContact O-N 3.31Å; L337-V340 PolarHBondContact O-N 2.9Å; L337-I341 WeakPolarHBondContact O-CB 3.5Å; L337-I341 WeakPolarHBondContact O-CD1 3.45Å; L337-I341 VanDerWaalsContact O-CG1 3.23Å; L337-I341 WeakPolarHBondContact O-CG1 3.47Å; L337-I341 PolarHBondContact O-N 3.47Å
338	I	69.8	Low	66.3	Low	98 Å²	98	88.9 Å²	88.9	50%	0.503	47%	0.467	S	S	.	.	H	α-helix	trans	-62.8	-43	177.5	-68.4	167.2	0	0	0	110.5	V334 V335 I341 L342	V334-I338 HydrophobicContact CG1-CD1 3.71Å; V334-I338 HydrophobicContact CG1-CG1 4.44Å; V334-I338 VanDerWaalsContact O-CG1 3.25Å; V334-I338 WeakPolarHBondContact O-CG1 3.31Å; V334-I338 PolarHBondContact O-N 3.34Å; V335-I338 PolarHBondContact O-N 2.84Å; I338-I341 PolarHBondContact O-N 3.37Å; I338-L342 WeakPolarHBondContact O-CB 3.46Å; I338-L342 PolarHBondContact O-N 3.1Å
339	S	67.4	Low	66.7	Low	34 Å²	34	85.7 Å²	85.7	24%	0.238	46%	0.457	C	S	.	.	H	α-helix	trans	-65.2	-39.8	178.3	69.9	0	0	0	0	112.3	V335 T336 L337 L342 M343	V335-S339 WeakPolarHBondContact O-CB 3.43Å; V335-S339 PolarHBondContact O-N 2.6Å; V335-S339 PolarHBondContact O-OG 3.32Å; T336-S339 PolarHBondContact O-N 2.94Å; T336-S339 PolarHBondContact O-OG 3.23Å; L337-S339 PolarHBondContact O-N 3.31Å; S339-L342 PolarHBondContact O-N 3.17Å; S339-M343 WeakPolarHBondContact O-CB 3.41Å; S339-M343 WeakPolarHBondContact O-CG 3.47Å; S339-M343 PolarHBondContact O-N 2.8Å
340	V	72.9	Confident	66.7	Low	88 Å²	88	85.9 Å²	85.9	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-41.9	175.5	170.9	0	0	0	0	111.7	T336 L337 M343 S344	T336-V340 WeakPolarHBondContact O-CB 3.15Å; T336-V340 VanDerWaalsContact O-CG2 3.24Å; T336-V340 WeakPolarHBondContact O-CG2 3.31Å; T336-V340 PolarHBondContact O-N 2.91Å; L337-V340 PolarHBondContact O-N 2.9Å; V340-M343 PolarHBondContact O-N 3.12Å; V340-S344 WeakPolarHBondContact O-CB 3.34Å; V340-S344 PolarHBondContact O-N 3.24Å; V340-S344 PolarHBondContact O-OG 2.72Å
341	I	69.8	Low	66.9	Low	96 Å²	96	87.4 Å²	87.4	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-64	-44	176.4	-68.7	165.4	0	0	0	110.1	L337 I338 S344 I345	L337-I341 WeakPolarHBondContact O-CB 3.5Å; L337-I341 WeakPolarHBondContact O-CD1 3.45Å; L337-I341 VanDerWaalsContact O-CG1 3.23Å; L337-I341 WeakPolarHBondContact O-CG1 3.47Å; L337-I341 PolarHBondContact O-N 3.47Å; I338-I341 PolarHBondContact O-N 3.37Å; I341-S344 WeakPolarHBondContact O-CB 3.38Å; I341-S344 PolarHBondContact O-N 2.83Å; I341-I345 HydrophobicContact CG2-CD1 3.86Å; I341-I345 VanDerWaalsContact O-CG1 3.28Å; I341-I345 WeakPolarHBondContact O-CG1 3.45Å; I341-I345 PolarHBondContact O-N 3.36Å
342	L	64.7	Low	66.8	Low	76 Å²	76	86.3 Å²	86.3	40%	0.398	45%	0.454	S	S	.	.	H	α-helix	trans	-66.4	-41.3	179.6	-146.2	86.8	0	0	0	111.9	I338 S339 S344 I345 L346 F390	I338-L342 WeakPolarHBondContact O-CB 3.46Å; I338-L342 PolarHBondContact O-N 3.1Å; S339-L342 PolarHBondContact O-N 3.17Å; L342-S344 VanDerWaalsContact C-N 3.3Å; L342-S344 PolarHBondContact O-N 3.01Å; L342-I345 PolarHBondContact O-N 2.98Å; L342-L346 WeakPolarHBondContact O-CB 3.21Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.33Å; L342-L346 PolarHBondContact O-N 2.94Å; L342-F390 HydrophobicContact CD2-CD2 4.3Å
343	M	66.5	Low	66.4	Low	121 Å²	121	83.7 Å²	83.7	60%	0.596	44%	0.44	S	S	*	.	H	α-helix	trans	-63.9	-37	174.3	-73.4	-61	-69.4	0	0	111.8	S339 V340 L346 F347	S339-M343 WeakPolarHBondContact O-CB 3.41Å; S339-M343 WeakPolarHBondContact O-CG 3.47Å; S339-M343 PolarHBondContact O-N 2.8Å; V340-M343 PolarHBondContact O-N 3.12Å; M343-L346 PolarHBondContact O-N 3.03Å; M343-L346 HydrophobicContact SD-CD1 4.31Å; M343-F347 WeakPolarHBondContact O-CB 3.25Å; M343-F347 PolarHBondContact O-N 3.44Å
344	S	66.4	Low	66	Low	57 Å²	57	83.8 Å²	83.8	40%	0.399	44%	0.441	S	S	.	.	H	α-helix	trans	-65.5	-43	173.9	-58	0	0	0	0	111.3	V340 I341 L342 F347 F348	V340-S344 WeakPolarHBondContact O-CB 3.34Å; V340-S344 PolarHBondContact O-N 3.24Å; V340-S344 PolarHBondContact O-OG 2.72Å; I341-S344 WeakPolarHBondContact O-CB 3.38Å; I341-S344 PolarHBondContact O-N 2.83Å; L342-S344 VanDerWaalsContact C-N 3.3Å; L342-S344 PolarHBondContact O-N 3.01Å; S344-F347 PolarHBondContact O-N 3.14Å; S344-F348 WeakPolarHBondContact O-CB 3.5Å; S344-F348 WeakPolarHBondContact O-CD2 3.08Å; S344-F348 PolarHBondContact O-N 3.18Å
345	I	67.3	Low	65.6	Low	85 Å²	85	86.9 Å²	86.9	44%	0.436	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-42.2	175.6	-67.9	164.4	0	0	0	111	I341 L342 F348 N349	I341-I345 HydrophobicContact CG2-CD1 3.86Å; I341-I345 VanDerWaalsContact O-CG1 3.28Å; I341-I345 WeakPolarHBondContact O-CG1 3.45Å; I341-I345 PolarHBondContact O-N 3.36Å; L342-I345 PolarHBondContact O-N 2.98Å; I345-F348 PolarHBondContact O-N 2.73Å; I345-N349 WeakPolarHBondContact O-CB 3.32Å; I345-N349 PolarHBondContact O-N 3.33Å; I345-N349 PolarHBondContact O-ND2 3.38Å
346	L	62.5	Low	64.9	Low	39 Å²	39	87 Å²	87	20%	0.204	45%	0.447	C	S	.	.	H	α-helix	trans	-65.8	-38.9	177.1	-72.1	171.1	0	0	0	112.2	L342 M343 Q350 K383	L342-L346 WeakPolarHBondContact O-CB 3.21Å; L342-L346 VanDerWaalsContact O-CG 3.31Å; L342-L346 WeakPolarHBondContact O-CG 3.33Å; L342-L346 PolarHBondContact O-N 2.94Å; M343-L346 PolarHBondContact O-N 3.03Å; M343-L346 HydrophobicContact SD-CD1 4.31Å; L346-Q350 WeakPolarHBondContact O-CB 3.42Å; L346-Q350 PolarHBondContact O-N 2.94Å; L346-K383 HydrophobicContact CD2-CG 4.27Å
347	F	65.9	Low	64.3	Low	131 Å²	131	87 Å²	87	58%	0.575	45%	0.445	S	S	*	.	H	α-helix	trans	-67.1	-44.3	175.9	-171.1	-97.5	0	0	0	111.8	M343 S344 Q350 H351	M343-F347 WeakPolarHBondContact O-CB 3.25Å; M343-F347 PolarHBondContact O-N 3.44Å; S344-F347 PolarHBondContact O-N 3.14Å; F347-Q350 PolarHBondContact O-N 3.29Å; F347-H351 AromaticContact CE1-CD2 3.51Å; F347-H351 AromaticContact CE1-NE2 3.74Å; F347-H351 AromaticContact CZ-CD2 3.76Å; F347-H351 AromaticContact CZ-NE2 3.63Å; F347-H351 PolarHBondContact O-N 3.32Å; F347-H351 VanDerWaalsContact O-N 3.08Å
348	F	61.3	Low	63.8	Low	137 Å²	137	89.1 Å²	89.1	60%	0.601	45%	0.452	S	S	*	.	H	α-helix	trans	-63.5	-42.6	174.9	-95.8	-84.4	0	0	0	112.1	S344 I345 Q350 H351 I352	S344-F348 WeakPolarHBondContact O-CB 3.5Å; S344-F348 WeakPolarHBondContact O-CD2 3.08Å; S344-F348 PolarHBondContact O-N 3.18Å; I345-F348 PolarHBondContact O-N 2.73Å; F348-Q350 VanDerWaalsContact C-N 3.29Å; F348-Q350 PolarHBondContact O-N 3.5Å; F348-H351 PolarHBondContact O-N 3.04Å; F348-I352 VanDerWaalsContact O-CG1 3.28Å; F348-I352 WeakPolarHBondContact O-CG1 3.22Å; F348-I352 PolarHBondContact O-N 2.88Å
349	N	61	Low	63.1	Low	73 Å²	73	88 Å²	88	39%	0.39	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-36.3	175.5	-80.7	-23.9	0	0	0	112.1	I345 I352 I353	I345-N349 WeakPolarHBondContact O-CB 3.32Å; I345-N349 PolarHBondContact O-N 3.33Å; I345-N349 PolarHBondContact O-ND2 3.38Å; N349-I352 PolarHBondContact O-N 3.41Å; N349-I353 WeakPolarHBondContact O-CB 3.29Å; N349-I353 WeakPolarHBondContact O-CD1 3.4Å; N349-I353 WeakPolarHBondContact O-CG1 3.23Å; N349-I353 PolarHBondContact O-N 3.35Å
350	Q	64.1	Low	62.4	Low	102 Å²	102	87.3 Å²	87.3	48%	0.477	44%	0.44	S	S	.	.	H	α-helix	trans	-66.5	-40.9	176	-169.8	147.6	-24.9	0	0	111.9	L346 F347 F348 I353 T354	L346-Q350 WeakPolarHBondContact O-CB 3.42Å; L346-Q350 PolarHBondContact O-N 2.94Å; F347-Q350 PolarHBondContact O-N 3.29Å; F348-Q350 VanDerWaalsContact C-N 3.29Å; F348-Q350 PolarHBondContact O-N 3.5Å; Q350-I353 PolarHBondContact O-N 3.18Å; Q350-T354 PolarHBondContact O-N 3.21Å; Q350-T354 PolarHBondContact O-OG1 3.4Å
351	H	62.7	Low	61.6	Low	112 Å²	112	90.3 Å²	90.3	52%	0.519	45%	0.452	S	S	.	.	H	α-helix	trans	-64.7	-40.6	173.7	-98.2	-74.3	0	0	0	112.9	F347 F348 T354 F355	F347-H351 AromaticContact CE1-CD2 3.51Å; F347-H351 AromaticContact CE1-NE2 3.74Å; F347-H351 AromaticContact CZ-CD2 3.76Å; F347-H351 AromaticContact CZ-NE2 3.63Å; F347-H351 PolarHBondContact O-N 3.32Å; F347-H351 VanDerWaalsContact O-N 3.08Å; F348-H351 PolarHBondContact O-N 3.04Å; H351-T354 VanDerWaalsContact CA-OG1 3.3Å; H351-T354 WeakPolarHBondContact CA-OG1 3.44Å; H351-T354 PolarHBondContact O-N 3.48Å; H351-T354 PolarHBondContact O-OG1 3.03Å; H351-F355 WeakPolarHBondContact O-CB 3.14Å; H351-F355 PolarHBondContact O-N 3.02Å
352	I	58.9	Low	61	Low	83 Å²	83	92 Å²	92	43%	0.426	46%	0.461	S	S	.	.	H	α-helix	trans	-64.7	-42.8	176.3	-69.8	168	0	0	0	110.6	F348 N349 F355 L356	F348-I352 VanDerWaalsContact O-CG1 3.28Å; F348-I352 WeakPolarHBondContact O-CG1 3.22Å; F348-I352 PolarHBondContact O-N 2.88Å; N349-I352 PolarHBondContact O-N 3.41Å; I352-F355 PolarHBondContact O-N 2.78Å; I352-L356 HydrophobicContact CG2-CD1 3.59Å; I352-L356 HydrophobicContact CG2-CG 4.37Å; I352-L356 WeakPolarHBondContact O-CB 3.24Å; I352-L356 WeakPolarHBondContact O-CG 3.44Å; I352-L356 PolarHBondContact O-N 3.17Å
353	I	60.1	Low	60.4	Low	50 Å²	50	98.6 Å²	98.6	26%	0.256	48%	0.481	S	S	.	.	H	α-helix	trans	-64.6	-43.7	177	-69.8	164.5	0	0	0	111	N349 Q350 F355 L356 N357	N349-I353 WeakPolarHBondContact O-CB 3.29Å; N349-I353 WeakPolarHBondContact O-CD1 3.4Å; N349-I353 WeakPolarHBondContact O-CG1 3.23Å; N349-I353 PolarHBondContact O-N 3.35Å; Q350-I353 PolarHBondContact O-N 3.18Å; I353-F355 VanDerWaalsContact C-N 3.35Å; I353-F355 PolarHBondContact O-N 3.4Å; I353-L356 PolarHBondContact O-N 2.97Å; I353-N357 WeakPolarHBondContact O-CB 3.26Å; I353-N357 PolarHBondContact O-N 3.14Å
354	T	62.2	Low	59.7	Low	71 Å²	71	99 Å²	99	44%	0.436	48%	0.48	S	S	.	.	H	α-helix	trans	-65.1	-39	176.2	45.9	0	0	0	0	112.3	Q350 H351 N357 E358	Q350-T354 PolarHBondContact O-N 3.21Å; Q350-T354 PolarHBondContact O-OG1 3.4Å; H351-T354 VanDerWaalsContact CA-OG1 3.3Å; H351-T354 WeakPolarHBondContact CA-OG1 3.44Å; H351-T354 PolarHBondContact O-N 3.48Å; H351-T354 PolarHBondContact O-OG1 3.03Å; T354-N357 PolarHBondContact O-N 3.24Å; T354-E358 PolarHBondContact O-N 2.98Å
355	F	61.8	Low	59.3	Low	130 Å²	130	100.4 Å²	100.4	57%	0.57	49%	0.489	S	S	*	.	H	α-helix	trans	-68.7	-41.6	178.3	-177.6	-106.2	0	0	0	112.1	H351 I352 I353 E358 I359	H351-F355 WeakPolarHBondContact O-CB 3.14Å; H351-F355 PolarHBondContact O-N 3.02Å; I352-F355 PolarHBondContact O-N 2.78Å; I353-F355 VanDerWaalsContact C-N 3.35Å; I353-F355 PolarHBondContact O-N 3.4Å; F355-E358 PolarHBondContact O-N 2.79Å; F355-I359 HydrophobicContact CD1-CD1 3.74Å; F355-I359 HydrophobicContact CE1-CD1 3.27Å; F355-I359 HydrophobicContact CE2-CD1 4.12Å; F355-I359 HydrophobicContact CG-CD1 4.35Å; F355-I359 HydrophobicContact CZ-CD1 3.5Å; F355-I359 VanDerWaalsContact CZ-CD1 3.5Å; F355-I359 WeakPolarHBondContact O-CG1 3.45Å; F355-I359 PolarHBondContact O-N 3.2Å
356	L	55.4	Low	58.8	Low	77 Å²	77	105 Å²	105	40%	0.403	51%	0.509	S	S	.	.	H	α-helix	trans	-66.9	-35.5	173.9	-76.1	163.5	0	0	0	112.1	I352 I353 I359 T360 Y372	I352-L356 HydrophobicContact CG2-CD1 3.59Å; I352-L356 HydrophobicContact CG2-CG 4.37Å; I352-L356 WeakPolarHBondContact O-CB 3.24Å; I352-L356 WeakPolarHBondContact O-CG 3.44Å; I352-L356 PolarHBondContact O-N 3.17Å; I353-L356 PolarHBondContact O-N 2.97Å; L356-I359 PolarHBondContact O-N 3.33Å; L356-T360 WeakPolarHBondContact O-CB 3.1Å; L356-T360 VanDerWaalsContact O-CG2 3.3Å; L356-T360 WeakPolarHBondContact O-CG2 3.24Å; L356-T360 PolarHBondContact O-N 3.29Å; L356-T360 PolarHBondContact O-OG1 3.25Å; L356-Y372 HydrophobicContact CB-CE2 4.45Å
357	N	58.1	Low	58.3	Low	69 Å²	69	106.5 Å²	106.5	37%	0.369	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-41	172.4	-95.4	6	0	0	0	112.2	I353 T354 T360 L361 Y372	I353-N357 WeakPolarHBondContact O-CB 3.26Å; I353-N357 PolarHBondContact O-N 3.14Å; T354-N357 PolarHBondContact O-N 3.24Å; N357-T360 WeakPolarHBondContact CA-OG1 3.46Å; N357-T360 PolarHBondContact O-OG1 2.74Å; N357-L361 PolarHBondContact O-N 2.79Å; N357-Y372 PolarHBondContact N-OH 2.83Å; N357-Y372 WeakPolarHBondContact OD1-CE1 3.39Å; N357-Y372 VanDerWaalsContact OD1-CZ 3.27Å; N357-Y372 PolarHBondContact OD1-OH 3.45Å
358	E	60.1	Low	57.7	Low	142 Å²	142	102 Å²	102	66%	0.664	51%	0.511	S	S	*	.	H	α-helix	trans	-68.8	-38.1	177	-77	-161.7	164.9	0	0	112.2	T354 F355	T354-E358 PolarHBondContact O-N 2.98Å; F355-E358 PolarHBondContact O-N 2.79Å
359	I	55.8	Low	57.7	Low	76 Å²	76	98.9 Å²	98.9	39%	0.39	50%	0.5	S	S	.	.	H	α-helix	trans	-70.6	-39.2	178.5	-69.6	173.7	0	0	0	111.9	F355 L356 L361 I362	F355-I359 HydrophobicContact CD1-CD1 3.74Å; F355-I359 HydrophobicContact CE1-CD1 3.27Å; F355-I359 HydrophobicContact CE2-CD1 4.12Å; F355-I359 HydrophobicContact CG-CD1 4.35Å; F355-I359 HydrophobicContact CZ-CD1 3.5Å; F355-I359 VanDerWaalsContact CZ-CD1 3.5Å; F355-I359 WeakPolarHBondContact O-CG1 3.45Å; F355-I359 PolarHBondContact O-N 3.2Å; L356-I359 PolarHBondContact O-N 3.33Å; I359-L361 VanDerWaalsContact C-N 3.32Å; I359-L361 PolarHBondContact O-N 3.43Å; I359-I362 PolarHBondContact O-N 3.32Å
360	T	53.8	Low	57.5	Low	18 Å²	18	98.6 Å²	98.6	11%	0.11	50%	0.504	C	S	.	.	H	α-helix	trans	-69.5	-27.3	-177.3	45.3	0	0	0	0	113.4	L356 N357 I362 F364 Y372	L356-T360 WeakPolarHBondContact O-CB 3.1Å; L356-T360 VanDerWaalsContact O-CG2 3.3Å; L356-T360 WeakPolarHBondContact O-CG2 3.24Å; L356-T360 PolarHBondContact O-N 3.29Å; L356-T360 PolarHBondContact O-OG1 3.25Å; N357-T360 WeakPolarHBondContact CA-OG1 3.46Å; N357-T360 PolarHBondContact O-OG1 2.74Å; T360-I362 PolarHBondContact O-N 2.94Å; T360-F364 HydrophobicContact CG2-CD2 4.25Å; T360-F364 HydrophobicContact CG2-CE2 4.49Å; T360-Y372 HydrophobicContact CG2-CD1 4.35Å; T360-Y372 HydrophobicContact CG2-CD2 4Å; T360-Y372 HydrophobicContact CG2-CE1 4.27Å; T360-Y372 HydrophobicContact CG2-CE2 3.92Å; T360-Y372 HydrophobicContact CG2-CG 4.21Å
361	L	55.5	Low	57.3	Low	151 Å²	151	98.3 Å²	98.3	79%	0.791	51%	0.509	S	S	*	.	H	α-helix	trans	-66.8	-17.4	175.6	-115.3	140.5	0	0	0	113.9	N357 I359	N357-L361 PolarHBondContact O-N 2.79Å; I359-L361 VanDerWaalsContact C-N 3.32Å; I359-L361 PolarHBondContact O-N 3.43Å
362	I	57.5	Low	57.2	Low	131 Å²	131	95.4 Å²	95.4	67%	0.672	49%	0.494	S	S	*	.	H	α-helix	trans	-101.7	-20.6	-173	-53.5	174.1	0	0	0	111.8	I359 T360	I359-I362 PolarHBondContact O-N 3.32Å; T360-I362 PolarHBondContact O-N 2.94Å
363	W	52.5	Low	57.4	Low	215 Å²	215	96.5 Å²	96.5	81%	0.814	50%	0.498	S	S	*	.	H	α-helix	trans	-130.8	-3.8	-161.1	-92	65.2	0	0	0	118.7
364	F	50.6	Low	57.5	Low	131 Å²	131	97.2 Å²	97.2	58%	0.575	51%	0.507	S	S	*	.			trans	-122.1	139.9	-168.7	-80.7	-74.5	0	0	0	115.4	T360 S368	T360-F364 HydrophobicContact CG2-CD2 4.25Å; T360-F364 HydrophobicContact CG2-CE2 4.49Å; F364-S368 WeakPolarHBondContact CB-OG 3.43Å; F364-S368 WeakPolarHBondContact CD1-OG 3.3Å
365	S	58.7	Low	57.3	Low	85 Å²	85	98.9 Å²	98.9	59%	0.594	51%	0.512	S	S	*	.			trans	-68.5	161.5	173.1	72.1	0	0	0	0	112.8	A367 S368 L369	S365-A367 PolarHBondContact O-N 3.13Å; S365-S368 PolarHBondContact N-OG 2.94Å; S365-S368 PolarHBondContact O-N 3.33Å; S365-S368 PolarHBondContact O-OG 3.27Å; S365-S368 PolarHBondContact OG-OG 3.09Å; S365-L369 PolarHBondContact O-N 3.31Å
366	E	56.5	Low	57.3	Low	183 Å²	183	94.1 Å²	94.1	86%	0.855	50%	0.496	S	S	*	.	H	α-helix	trans	-51.8	-34.2	-174.3	-74.3	-179	160.3	0	0	114.7	L369	E366-L369 PolarHBondContact O-N 3.26Å
367	A	51.9	Low	57.8	Low	70 Å²	70	95.7 Å²	95.7	58%	0.579	50%	0.504	S	S	*	.	H	α-helix	trans	-72.6	-30.4	-179.6	0	0	0	0	0	113.8	S365 S370	S365-A367 PolarHBondContact O-N 3.13Å; A367-S370 PolarHBondContact O-OG 2.97Å; A367-S370 VanDerWaalsContact O-OG 3.12Å
368	S	53.3	Low	58.1	Low	35 Å²	35	96.3 Å²	96.3	25%	0.245	51%	0.508	C	S	.	.	H	α-helix	trans	-77.9	-25.3	176.4	26.4	0	0	0	0	112.8	F364 S365 Y372	F364-S368 WeakPolarHBondContact CB-OG 3.43Å; F364-S368 WeakPolarHBondContact CD1-OG 3.3Å; S365-S368 PolarHBondContact N-OG 2.94Å; S365-S368 PolarHBondContact O-N 3.33Å; S365-S368 PolarHBondContact O-OG 3.27Å; S365-S368 PolarHBondContact OG-OG 3.09Å; S368-Y372 WeakPolarHBondContact O-CB 3.5Å; S368-Y372 PolarHBondContact O-N 3.03Å
369	L	60.5	Low	58	Low	72 Å²	72	93.7 Å²	93.7	38%	0.377	50%	0.498	S	S	.	.	H	α-helix	trans	-70.7	-37.4	179.2	-170.5	68.1	0	0	0	112.1	S365 E366 Y372 Q373	S365-L369 PolarHBondContact O-N 3.31Å; E366-L369 PolarHBondContact O-N 3.26Å; L369-Y372 PolarHBondContact O-N 2.83Å; L369-Q373 WeakPolarHBondContact O-CB 3.32Å; L369-Q373 WeakPolarHBondContact O-CG 3.45Å; L369-Q373 PolarHBondContact O-N 3.44Å
370	S	58.2	Low	58.3	Low	67 Å²	67	94.8 Å²	94.8	47%	0.469	50%	0.501	S	S	.	.	H	α-helix	trans	-69.4	-39.1	-179.9	66.2	0	0	0	0	112.8	A367 Y372 Q373 S374	A367-S370 PolarHBondContact O-OG 2.97Å; A367-S370 VanDerWaalsContact O-OG 3.12Å; S370-Y372 VanDerWaalsContact C-N 3.35Å; S370-Q373 PolarHBondContact O-N 3.09Å; S370-S374 WeakPolarHBondContact O-CB 3.36Å; S370-S374 PolarHBondContact O-N 3.19Å
371	V	58.8	Low	58.9	Low	96 Å²	96	99.6 Å²	99.6	58%	0.582	52%	0.522	S	S	*	.	H	α-helix	trans	-65	-42.2	174.8	179.1	0	0	0	0	110.2	S374 L375	V371-S374 PolarHBondContact O-N 3.3Å; V371-L375 WeakPolarHBondContact O-CB 3.16Å; V371-L375 PolarHBondContact O-N 3.23Å
372	Y	60.8	Low	59.3	Low	51 Å²	51	96.4 Å²	96.4	20%	0.2	51%	0.509	C	S	.	.	H	α-helix	trans	-66.7	-43	176.8	178.4	-97.7	0	0	0	112.7	L356 N357 T360 S368 L369 S370 S374 L375 S376	L356-Y372 HydrophobicContact CB-CE2 4.45Å; N357-Y372 PolarHBondContact N-OH 2.83Å; N357-Y372 WeakPolarHBondContact OD1-CE1 3.39Å; N357-Y372 VanDerWaalsContact OD1-CZ 3.27Å; N357-Y372 PolarHBondContact OD1-OH 3.45Å; T360-Y372 HydrophobicContact CG2-CD1 4.35Å; T360-Y372 HydrophobicContact CG2-CD2 4Å; T360-Y372 HydrophobicContact CG2-CE1 4.27Å; T360-Y372 HydrophobicContact CG2-CE2 3.92Å; T360-Y372 HydrophobicContact CG2-CG 4.21Å; S368-Y372 WeakPolarHBondContact O-CB 3.5Å; S368-Y372 PolarHBondContact O-N 3.03Å; L369-Y372 PolarHBondContact O-N 2.83Å; S370-Y372 VanDerWaalsContact C-N 3.35Å; Y372-S374 VanDerWaalsContact C-N 3.32Å; Y372-S374 PolarHBondContact O-N 2.89Å; Y372-L375 PolarHBondContact O-N 3.29Å; Y372-S376 VanDerWaalsContact O-CB 3.31Å; Y372-S376 WeakPolarHBondContact O-CB 3.42Å; Y372-S376 PolarHBondContact O-N 2.93Å
373	Q	62.6	Low	59.8	Low	107 Å²	107	92.4 Å²	92.4	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-41.4	174.5	-78.8	176.1	-13.3	0	0	111.9	L369 S370 S376 N377	L369-Q373 WeakPolarHBondContact O-CB 3.32Å; L369-Q373 WeakPolarHBondContact O-CG 3.45Å; L369-Q373 PolarHBondContact O-N 3.44Å; S370-Q373 PolarHBondContact O-N 3.09Å; Q373-S376 PolarHBondContact O-N 3.06Å; Q373-N377 WeakPolarHBondContact O-CB 3.01Å; Q373-N377 VanDerWaalsContact O-CG 3.25Å; Q373-N377 PolarHBondContact O-N 3.46Å
374	S	63.3	Low	60.4	Low	65 Å²	65	86.3 Å²	86.3	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-62.9	-45.9	174.8	-176.1	0	0	0	0	111.6	S370 V371 Y372 S376 N377 N378	S370-S374 WeakPolarHBondContact O-CB 3.36Å; S370-S374 PolarHBondContact O-N 3.19Å; V371-S374 PolarHBondContact O-N 3.3Å; Y372-S374 VanDerWaalsContact C-N 3.32Å; Y372-S374 PolarHBondContact O-N 2.89Å; S374-S376 PolarHBondContact O-N 3.11Å; S374-N377 PolarHBondContact O-N 3.35Å; S374-N378 VanDerWaalsContact O-CG 3.3Å; S374-N378 PolarHBondContact O-N 3.43Å; S374-N378 PolarHBondContact O-ND2 2.85Å
375	L	57.2	Low	61.2	Low	105 Å²	105	84.4 Å²	84.4	55%	0.55	47%	0.465	S	S	.	.	H	α-helix	trans	-64.3	-42	178.2	-140.4	98.9	0	0	0	112.1	V371 Y372 N378 L379	V371-L375 WeakPolarHBondContact O-CB 3.16Å; V371-L375 PolarHBondContact O-N 3.23Å; Y372-L375 PolarHBondContact O-N 3.29Å; L375-N378 PolarHBondContact O-N 3.32Å; L375-L379 HydrophobicContact CD2-CD1 4.28Å; L375-L379 WeakPolarHBondContact O-CB 3.45Å; L375-L379 PolarHBondContact O-N 3.07Å
376	S	62	Low	61.4	Low	31 Å²	31	85.1 Å²	85.1	22%	0.217	46%	0.461	C	S	.	.	H	α-helix	trans	-63.7	-42.7	177.5	179.4	0	0	0	0	111.7	Y372 Q373 S374 L379 H380	Y372-S376 VanDerWaalsContact O-CB 3.31Å; Y372-S376 WeakPolarHBondContact O-CB 3.42Å; Y372-S376 PolarHBondContact O-N 2.93Å; Q373-S376 PolarHBondContact O-N 3.06Å; S374-S376 PolarHBondContact O-N 3.11Å; S376-L379 PolarHBondContact O-N 3.45Å; S376-H380 WeakPolarHBondContact O-CB 3.27Å; S376-H380 PolarHBondContact O-N 3.32Å
377	N	65.9	Low	61.8	Low	110 Å²	110	79.1 Å²	79.1	59%	0.588	44%	0.439	S	S	*	.	H	α-helix	trans	-64.7	-44.5	176.9	-75.9	-10.7	0	0	0	111.4	Q373 S374 L379 H380 E381	Q373-N377 WeakPolarHBondContact O-CB 3.01Å; Q373-N377 VanDerWaalsContact O-CG 3.25Å; Q373-N377 PolarHBondContact O-N 3.46Å; S374-N377 PolarHBondContact O-N 3.35Å; N377-L379 VanDerWaalsContact C-N 3.32Å; N377-L379 PolarHBondContact O-N 3.41Å; N377-H380 PolarHBondContact O-N 3.18Å; N377-H380 VanDerWaalsContact O-N 3.16Å; N377-E381 WeakPolarHBondContact O-CB 3.14Å; N377-E381 PolarHBondContact O-N 3.06Å
378	N	63.9	Low	62.6	Low	82 Å²	82	81.3 Å²	81.3	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-61.3	-40.8	175.4	-71.7	-39	0	0	0	111.8	S374 L375 H380 E381 V382	S374-N378 VanDerWaalsContact O-CG 3.3Å; S374-N378 PolarHBondContact O-N 3.43Å; S374-N378 PolarHBondContact O-ND2 2.85Å; L375-N378 PolarHBondContact O-N 3.32Å; N378-H380 VanDerWaalsContact C-N 3.35Å; N378-E381 PolarHBondContact O-N 3.33Å; N378-V382 VanDerWaalsContact O-CG2 3.28Å; N378-V382 WeakPolarHBondContact O-CG2 3.32Å; N378-V382 PolarHBondContact O-N 3.4Å
379	L	58	Low	63.2	Low	87 Å²	87	83.6 Å²	83.6	46%	0.455	45%	0.446	S	S	.	.	H	α-helix	trans	-65.2	-37.8	175	-108.3	125.1	0	0	0	112.5	L375 S376 N377 K383	L375-L379 HydrophobicContact CD2-CD1 4.28Å; L375-L379 WeakPolarHBondContact O-CB 3.45Å; L375-L379 PolarHBondContact O-N 3.07Å; S376-L379 PolarHBondContact O-N 3.45Å; N377-L379 VanDerWaalsContact C-N 3.32Å; N377-L379 PolarHBondContact O-N 3.41Å; L379-K383 WeakPolarHBondContact O-CB 3.39Å; L379-K383 PolarHBondContact O-N 2.99Å
380	H	63.2	Low	63.5	Low	99 Å²	99	84 Å²	84	46%	0.458	44%	0.444	S	S	.	.	H	α-helix	trans	-68.7	-37.1	176.6	-158.4	62.7	0	0	0	111.9	S376 N377 N378 K383 N384	S376-H380 WeakPolarHBondContact O-CB 3.27Å; S376-H380 PolarHBondContact O-N 3.32Å; N377-H380 PolarHBondContact O-N 3.18Å; N377-H380 VanDerWaalsContact O-N 3.16Å; N378-H380 VanDerWaalsContact C-N 3.35Å; H380-K383 WeakPolarHBondContact O-CB 3.46Å; H380-K383 PolarHBondContact O-N 2.8Å; H380-N384 PolarHBondContact O-N 2.99Å; H380-N384 PolarHBondContact O-ND2 2.68Å
381	E	66.2	Low	64	Low	119 Å²	119	87.6 Å²	87.6	56%	0.556	45%	0.449	S	S	*	.	H	α-helix	trans	-66.3	-46	174.9	-165	171.2	-177.1	0	0	111.4	N377 N378 K383 N384 I385	N377-E381 WeakPolarHBondContact O-CB 3.14Å; N377-E381 PolarHBondContact O-N 3.06Å; N378-E381 PolarHBondContact O-N 3.33Å; E381-K383 VanDerWaalsContact C-N 3.29Å; E381-K383 PolarHBondContact O-N 2.8Å; E381-N384 PolarHBondContact O-N 3.15Å; E381-N384 VanDerWaalsContact O-N 3.1Å; E381-I385 HydrophobicContact CG-CD1 4.37Å; E381-I385 WeakPolarHBondContact O-CG1 3.42Å; E381-I385 PolarHBondContact O-N 2.94Å
382	V	63.1	Low	64.4	Low	83 Å²	83	87.3 Å²	87.3	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-59.3	-40.4	173.6	172.2	0	0	0	0	111.3	N378 I385 L386	N378-V382 VanDerWaalsContact O-CG2 3.28Å; N378-V382 WeakPolarHBondContact O-CG2 3.32Å; N378-V382 PolarHBondContact O-N 3.4Å; V382-I385 PolarHBondContact O-N 2.81Å; V382-L386 HydrophobicContact CG1-CD1 3.93Å; V382-L386 HydrophobicContact CG1-CG 4.48Å; V382-L386 WeakPolarHBondContact O-CB 3.27Å; V382-L386 WeakPolarHBondContact O-CG 3.47Å; V382-L386 PolarHBondContact O-N 3.46Å
383	K	67.8	Low	64.5	Low	48 Å²	48	89.5 Å²	89.5	21%	0.209	46%	0.458	C	S	.	.	H	α-helix	trans	-59.5	-46.2	173.8	-178	-171.4	178.3	-176	0	111.5	L346 L379 H380 E381 L386 C387	L346-K383 HydrophobicContact CD2-CG 4.27Å; L379-K383 WeakPolarHBondContact O-CB 3.39Å; L379-K383 PolarHBondContact O-N 2.99Å; H380-K383 WeakPolarHBondContact O-CB 3.46Å; H380-K383 PolarHBondContact O-N 2.8Å; E381-K383 VanDerWaalsContact C-N 3.29Å; E381-K383 PolarHBondContact O-N 2.8Å; K383-L386 PolarHBondContact O-N 3.16Å; K383-C387 WeakPolarHBondContact O-CB 3.41Å; K383-C387 PolarHBondContact O-N 3.25Å; K383-C387 PolarHBondContact O-SG 2.92Å; K383-C387 VanDerWaalsContact O-SG 3.39Å
384	N	65.4	Low	64.5	Low	86 Å²	86	87.4 Å²	87.4	46%	0.46	45%	0.453	S	S	.	.	H	α-helix	trans	-65.7	-39.9	-179.6	-73.5	-20.1	0	0	0	112	H380 E381 C387 H388	H380-N384 PolarHBondContact O-N 2.99Å; H380-N384 PolarHBondContact O-ND2 2.68Å; E381-N384 PolarHBondContact O-N 3.15Å; E381-N384 VanDerWaalsContact O-N 3.1Å; N384-C387 PolarHBondContact O-N 2.8Å; N384-H388 WeakPolarHBondContact O-CB 3.33Å; N384-H388 PolarHBondContact O-N 3.09Å
385	I	67.9	Low	64.7	Low	91 Å²	91	88 Å²	88	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-61.8	-46.6	174.7	-65.9	170.5	0	0	0	110.4	E381 V382 C387 H388 I389	E381-I385 HydrophobicContact CG-CD1 4.37Å; E381-I385 WeakPolarHBondContact O-CG1 3.42Å; E381-I385 PolarHBondContact O-N 2.94Å; V382-I385 PolarHBondContact O-N 2.81Å; I385-C387 PolarHBondContact O-N 2.79Å; I385-H388 PolarHBondContact O-N 3.23Å; I385-I389 HydrophobicContact CG2-CD1 3.77Å; I385-I389 HydrophobicContact CG2-CG1 4.43Å; I385-I389 VanDerWaalsContact O-CG1 3.32Å; I385-I389 WeakPolarHBondContact O-CG1 3.44Å; I385-I389 PolarHBondContact O-N 2.92Å
386	L	62.2	Low	65.1	Low	101 Å²	101	89.1 Å²	89.1	53%	0.529	45%	0.449	S	S	.	.	H	α-helix	trans	-63.3	-40.9	177.9	-74.3	168.8	0	0	0	112.3	V382 K383 H388 I389 F390	V382-L386 HydrophobicContact CG1-CD1 3.93Å; V382-L386 HydrophobicContact CG1-CG 4.48Å; V382-L386 WeakPolarHBondContact O-CB 3.27Å; V382-L386 WeakPolarHBondContact O-CG 3.47Å; V382-L386 PolarHBondContact O-N 3.46Å; K383-L386 PolarHBondContact O-N 3.16Å; L386-H388 VanDerWaalsContact C-N 3.33Å; L386-H388 PolarHBondContact O-N 2.83Å; L386-I389 PolarHBondContact O-N 3.42Å; L386-F390 VanDerWaalsContact O-CB 3.31Å; L386-F390 WeakPolarHBondContact O-CB 3.27Å; L386-F390 PolarHBondContact O-N 2.89Å
387	C	66.3	Low	65	Low	56 Å²	56	91.8 Å²	91.8	38%	0.378	46%	0.459	S	S	.	.	H	α-helix	trans	-63.6	-38.4	174.7	-74.9	0	0	0	0	112.2	K383 N384 I385 F390 Y391	K383-C387 WeakPolarHBondContact O-CB 3.41Å; K383-C387 PolarHBondContact O-N 3.25Å; K383-C387 PolarHBondContact O-SG 2.92Å; K383-C387 VanDerWaalsContact O-SG 3.39Å; N384-C387 PolarHBondContact O-N 2.8Å; I385-C387 PolarHBondContact O-N 2.79Å; C387-F390 PolarHBondContact O-N 3.44Å; C387-Y391 PolarHBondContact O-N 3.48Å
388	H	67.4	Low	64.6	Low	116 Å²	116	95.7 Å²	95.7	54%	0.537	47%	0.466	S	S	.	.	H	α-helix	trans	-70.2	-43.2	178.1	-168.5	53.9	0	0	0	112.3	N384 I385 L386 F390 Y391 L392	N384-H388 WeakPolarHBondContact O-CB 3.33Å; N384-H388 PolarHBondContact O-N 3.09Å; I385-H388 PolarHBondContact O-N 3.23Å; L386-H388 VanDerWaalsContact C-N 3.33Å; L386-H388 PolarHBondContact O-N 2.83Å; H388-F390 VanDerWaalsContact C-N 3.26Å; H388-F390 PolarHBondContact O-N 2.81Å; H388-Y391 PolarHBondContact O-N 3.14Å; H388-L392 WeakPolarHBondContact O-CG 3.18Å; H388-L392 PolarHBondContact O-N 3.26Å
389	I	66.6	Low	64.2	Low	84 Å²	84	97.3 Å²	97.3	43%	0.431	47%	0.469	S	S	.	.	H	α-helix	trans	-59.6	-41.4	173.1	-68.5	169.2	0	0	0	110.2	I385 L386 L392 L393	I385-I389 HydrophobicContact CG2-CD1 3.77Å; I385-I389 HydrophobicContact CG2-CG1 4.43Å; I385-I389 VanDerWaalsContact O-CG1 3.32Å; I385-I389 WeakPolarHBondContact O-CG1 3.44Å; I385-I389 PolarHBondContact O-N 2.92Å; L386-I389 PolarHBondContact O-N 3.42Å; I389-L392 PolarHBondContact O-N 3.5Å; I389-L393 HydrophobicContact CG2-CD1 3.94Å; I389-L393 HydrophobicContact CG2-CG 4.49Å; I389-L393 WeakPolarHBondContact O-CB 3.18Å; I389-L393 WeakPolarHBondContact O-CG 3.28Å; I389-L393 PolarHBondContact O-N 2.89Å
390	F	66.1	Low	64.2	Low	79 Å²	79	97.4 Å²	97.4	35%	0.346	47%	0.469	S	S	.	.	H	α-helix	trans	-64.4	-44.1	177.1	-174.5	-99.2	0	0	0	112.2	L342 L386 C387 H388 L392 L393 T394	L342-F390 HydrophobicContact CD2-CD2 4.3Å; L386-F390 VanDerWaalsContact O-CB 3.31Å; L386-F390 WeakPolarHBondContact O-CB 3.27Å; L386-F390 PolarHBondContact O-N 2.89Å; C387-F390 PolarHBondContact O-N 3.44Å; H388-F390 VanDerWaalsContact C-N 3.26Å; H388-F390 PolarHBondContact O-N 2.81Å; F390-L392 VanDerWaalsContact C-N 3.33Å; F390-L392 PolarHBondContact O-N 3.28Å; F390-L393 PolarHBondContact O-N 3.28Å; F390-T394 HydrophobicContact CD1-CG2 4.12Å; F390-T394 HydrophobicContact CE1-CG2 3.66Å; F390-T394 HydrophobicContact CE2-CG2 4.38Å; F390-T394 HydrophobicContact CZ-CG2 3.81Å; F390-T394 WeakPolarHBondContact O-CG2 3.25Å; F390-T394 PolarHBondContact O-N 3.08Å; F390-T394 PolarHBondContact O-OG1 3.38Å
391	Y	69.1	Low	63.6	Low	143 Å²	143	97.9 Å²	97.9	56%	0.561	48%	0.479	S	S	*	.	H	α-helix	trans	-57.2	-46.9	175	179.5	-97	0	0	0	111.4	C387 H388 L393 T394 E395	C387-Y391 PolarHBondContact O-N 3.48Å; H388-Y391 PolarHBondContact O-N 3.14Å; Y391-L393 PolarHBondContact O-N 2.87Å; Y391-T394 WeakPolarHBondContact CA-OG1 3.46Å; Y391-T394 PolarHBondContact O-N 3.15Å; Y391-T394 PolarHBondContact O-OG1 3.33Å; Y391-E395 HydrophobicContact CE1-CG 4.37Å; Y391-E395 PolarHBondContact O-N 3.28Å
392	L	66.7	Low	62.6	Low	91 Å²	91	96 Å²	96	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-40.1	177.3	-70.4	168.7	0	0	0	112.4	H388 I389 F390 E395 F396	H388-L392 WeakPolarHBondContact O-CG 3.18Å; H388-L392 PolarHBondContact O-N 3.26Å; I389-L392 PolarHBondContact O-N 3.5Å; F390-L392 VanDerWaalsContact C-N 3.33Å; F390-L392 PolarHBondContact O-N 3.28Å; L392-E395 PolarHBondContact O-N 3.06Å; L392-F396 VanDerWaalsContact O-CB 3.32Å; L392-F396 WeakPolarHBondContact O-CB 3.44Å; L392-F396 PolarHBondContact O-N 3.08Å
393	L	63	Low	61.6	Low	96 Å²	96	102.9 Å²	102.9	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-64.8	-40.8	174.4	-76.3	167.3	0	0	0	111.7	I389 F390 Y391 F396 M397	I389-L393 HydrophobicContact CG2-CD1 3.94Å; I389-L393 HydrophobicContact CG2-CG 4.49Å; I389-L393 WeakPolarHBondContact O-CB 3.18Å; I389-L393 WeakPolarHBondContact O-CG 3.28Å; I389-L393 PolarHBondContact O-N 2.89Å; F390-L393 PolarHBondContact O-N 3.28Å; Y391-L393 PolarHBondContact O-N 2.87Å; L393-F396 PolarHBondContact O-N 3.33Å; L393-M397 WeakPolarHBondContact O-CB 3.4Å; L393-M397 WeakPolarHBondContact O-CG 3.38Å; L393-M397 PolarHBondContact O-N 2.98Å
394	T	62.8	Low	61.3	Low	63 Å²	63	105.6 Å²	105.6	39%	0.387	52%	0.519	S	S	.	.	H	α-helix	trans	-66.7	-38.5	176.2	52.1	0	0	0	0	112.6	F390 Y391 M397 W398	F390-T394 HydrophobicContact CD1-CG2 4.12Å; F390-T394 HydrophobicContact CE1-CG2 3.66Å; F390-T394 HydrophobicContact CE2-CG2 4.38Å; F390-T394 HydrophobicContact CZ-CG2 3.81Å; F390-T394 WeakPolarHBondContact O-CG2 3.25Å; F390-T394 PolarHBondContact O-N 3.08Å; F390-T394 PolarHBondContact O-OG1 3.38Å; Y391-T394 WeakPolarHBondContact CA-OG1 3.46Å; Y391-T394 PolarHBondContact O-N 3.15Å; Y391-T394 PolarHBondContact O-OG1 3.33Å; T394-M397 PolarHBondContact O-N 3.05Å; T394-W398 VanDerWaalsContact O-CB 3.31Å; T394-W398 WeakPolarHBondContact O-CB 3.45Å; T394-W398 PolarHBondContact O-N 2.86Å
395	E	67.4	Low	61	Low	79 Å²	79	106.6 Å²	106.6	37%	0.369	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.5	-122	-96.1	152.9	0	0	111.2	Y391 L392 W398 K399	Y391-E395 HydrophobicContact CE1-CG 4.37Å; Y391-E395 PolarHBondContact O-N 3.28Å; L392-E395 PolarHBondContact O-N 3.06Å; E395-W398 PolarHBondContact O-N 3Å; E395-K399 PolarHBondContact O-N 3.04Å; E395-K399 IonicContact OE1-NZ 3.96Å; E395-K399 IonicContact OE2-NZ 3.96Å; E395-K399 PolarHBondContact OE2-NZ 2.89Å
396	F	66.3	Low	60.7	Low	127 Å²	127	107.5 Å²	107.5	56%	0.557	53%	0.526	S	S	*	.	H	α-helix	trans	-64.2	-45.6	176.7	-178	-105.5	0	0	0	112	L392 L393 K399 I400	L392-F396 VanDerWaalsContact O-CB 3.32Å; L392-F396 WeakPolarHBondContact O-CB 3.44Å; L392-F396 PolarHBondContact O-N 3.08Å; L393-F396 PolarHBondContact O-N 3.33Å; F396-K399 PolarHBondContact O-N 3.29Å; F396-I400 HydrophobicContact CD1-CD1 3.74Å; F396-I400 HydrophobicContact CE1-CD1 3.3Å; F396-I400 HydrophobicContact CE1-CG1 4.48Å; F396-I400 HydrophobicContact CE2-CD1 4.35Å; F396-I400 HydrophobicContact CG-CD1 4.44Å; F396-I400 HydrophobicContact CZ-CD1 3.65Å; F396-I400 WeakPolarHBondContact O-CG1 3.17Å; F396-I400 PolarHBondContact O-N 3.29Å; F396-I400 VanDerWaalsContact O-N 3.14Å
397	M	60	Low	60.6	Low	87 Å²	87	107.9 Å²	107.9	43%	0.429	53%	0.525	S	S	.	.	H	α-helix	trans	-67	-36.4	177.3	-68.6	-61.3	-69	0	0	112	L393 T394 I400 V401	L393-M397 WeakPolarHBondContact O-CB 3.4Å; L393-M397 WeakPolarHBondContact O-CG 3.38Å; L393-M397 PolarHBondContact O-N 2.98Å; T394-M397 PolarHBondContact O-N 3.05Å; M397-I400 PolarHBondContact O-N 3.48Å; M397-I400 HydrophobicContact SD-CD1 4.41Å; M397-V401 WeakPolarHBondContact O-CG2 3.32Å; M397-V401 PolarHBondContact O-N 2.87Å; M397-V401 VanDerWaalsContact O-N 3.11Å
398	W	56.8	Low	60.2	Low	192 Å²	192	111.1 Å²	111.1	73%	0.727	54%	0.535	S	S	*	.	H	α-helix	trans	-61.3	-44.2	173.7	-175.4	-95.4	0	0	0	111.7	T394 E395 I400 V401 S402	T394-W398 VanDerWaalsContact O-CB 3.31Å; T394-W398 WeakPolarHBondContact O-CB 3.45Å; T394-W398 PolarHBondContact O-N 2.86Å; E395-W398 PolarHBondContact O-N 3Å; W398-I400 VanDerWaalsContact C-N 3.3Å; W398-I400 PolarHBondContact O-N 3.4Å; W398-V401 PolarHBondContact O-N 2.78Å; W398-S402 WeakPolarHBondContact O-CB 3.25Å; W398-S402 PolarHBondContact O-N 3.05Å; W398-S402 PolarHBondContact O-OG 2.99Å
399	K	56.7	Low	59.7	Low	116 Å²	116	110.8 Å²	110.8	50%	0.504	53%	0.534	S	S	.	.	H	α-helix	trans	-62.7	-32.2	175.6	-83.9	173.2	175.8	146.7	0	113.9	E395 F396 S402	E395-K399 PolarHBondContact O-N 3.04Å; E395-K399 IonicContact OE1-NZ 3.96Å; E395-K399 IonicContact OE2-NZ 3.96Å; E395-K399 PolarHBondContact OE2-NZ 2.89Å; F396-K399 PolarHBondContact O-N 3.29Å; K399-S402 PolarHBondContact O-OG 3.28Å
400	I	56.8	Low	59.2	Low	90 Å²	90	112.7 Å²	112.7	46%	0.462	54%	0.542	S	S	.	.	H	α-helix	trans	-73.5	-33	176.3	-70.2	170.9	0	0	0	111.7	F396 M397 W398	F396-I400 HydrophobicContact CD1-CD1 3.74Å; F396-I400 HydrophobicContact CE1-CD1 3.3Å; F396-I400 HydrophobicContact CE1-CG1 4.48Å; F396-I400 HydrophobicContact CE2-CD1 4.35Å; F396-I400 HydrophobicContact CG-CD1 4.44Å; F396-I400 HydrophobicContact CZ-CD1 3.65Å; F396-I400 WeakPolarHBondContact O-CG1 3.17Å; F396-I400 PolarHBondContact O-N 3.29Å; F396-I400 VanDerWaalsContact O-N 3.14Å; M397-I400 PolarHBondContact O-N 3.48Å; M397-I400 HydrophobicContact SD-CD1 4.41Å; W398-I400 VanDerWaalsContact C-N 3.3Å; W398-I400 PolarHBondContact O-N 3.4Å
401	V	50.8	Low	58.7	Low	109 Å²	109	115.3 Å²	115.3	66%	0.661	56%	0.557	S	S	*	*	H	α-helix	trans	-84.2	-23.6	-178.9	175.5	0	0	0	0	112.3	M397 W398 H403	M397-V401 WeakPolarHBondContact O-CG2 3.32Å; M397-V401 PolarHBondContact O-N 2.87Å; M397-V401 VanDerWaalsContact O-N 3.11Å; W398-V401 PolarHBondContact O-N 2.78Å; V401-H403 VanDerWaalsContact C-N 3.32Å; V401-H403 PolarHBondContact O-N 3.5Å
402	S	46.1	Very low	57.8	Low	79 Å²	79	113 Å²	113	55%	0.552	56%	0.556	S	S	*	*			trans	-84.4	3.6	179.4	67.2	0	0	0	0	115.3	W398 K399	W398-S402 WeakPolarHBondContact O-CB 3.25Å; W398-S402 PolarHBondContact O-N 3.05Å; W398-S402 PolarHBondContact O-OG 2.99Å; K399-S402 PolarHBondContact O-OG 3.28Å
403	H	40.9	Very low	57	Low	227 Å²	227	115 Å²	115	100%	1.051	56%	0.564	S	S	*	*			trans	-123	0	175.9	-100.2	-57.5	0	0	0	110	V401	V401-H403 VanDerWaalsContact C-N 3.32Å; V401-H403 PolarHBondContact O-N 3.5Å

Retrieved 403 of 403 residues in 1091.2 ms (Link to these results)

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