G4VQH7_SCHMA Loading...

Microtubule-associated protein RP/EB family member 1

AlphaFold DB , UniProt , Accession G4VQH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 276 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	41.7	Very low	82.5	Confident	244 Å²	244	89.6 Å²	89.6	100%	1.202	53%	0.528	S	S	*	.				0	112.7	0	-70.4	-169.5	-169.2	0	0	106.9	G3	M1-G3 PolarHBondContact O-N 3.15Å
2	A	59.7	Low	81.7	Confident	106 Å²	106	87.8 Å²	87.8	88%	0.876	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-65.9	128	169.5	0	0	0	0	0	107.6
3	G	76.8	Confident	80.6	Confident	68 Å²	68	87.7 Å²	87.7	70%	0.701	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-60.8	155.3	178.2	0	0	0	0	0	111.1	M1	M1-G3 PolarHBondContact O-N 3.15Å
4	I	82.5	Confident	79.3	Confident	86 Å²	86	86.6 Å²	86.6	44%	0.441	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-65.7	125.4	171.7	-61.7	168.3	0	0	0	107.3	Q6 K89	I4-Q6 PolarHBondContact O-N 3.25Å; I4-Q6 PolarHBondContact O-NE2 3.45Å; I4-K89 HydrophobicContact CD1-CG 4.07Å; I4-K89 HydrophobicContact CG2-CG 4.07Å
5	P	87.5	Confident	77.8	Confident	73 Å²	73	92.8 Å²	92.8	47%	0.474	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-59.1	131.5	179.9	24.4	-33.2	0	0	0	109.8	F57 H90	P5-F57 HydrophobicContact CB-CD1 4.4Å; P5-F57 HydrophobicContact CG-CD1 4.01Å; P5-H90 PolarHBondContact O-ND1 3.35Å
6	Q	93.4	Very high	76.7	Confident	129 Å²	129	90.8 Å²	90.8	60%	0.603	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-85.4	139.7	174.7	-62.8	-58.7	-64.8	0	0	109.2	I4	I4-Q6 PolarHBondContact O-N 3.25Å; I4-Q6 PolarHBondContact O-NE2 3.45Å
7	A	95.8	Very high	75.8	Confident	12 Å²	12	92.6 Å²	92.6	10%	0.099	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-78.7	151.6	176	0	0	0	0	0	111	F57 H90 V92 F119 N123	A7-F57 HydrophobicContact CB-CE2 4.11Å; A7-F57 HydrophobicContact CB-CZ 3.61Å; A7-H90 HydrophobicContact CB-CB 4.19Å; A7-H90 PolarHBondContact N-O 3.37Å; A7-V92 HydrophobicContact CB-CG2 3.75Å; A7-F119 HydrophobicContact CB-CE2 3.8Å; A7-F119 HydrophobicContact CB-CZ 3.87Å; A7-N123 VanDerWaalsContact CA-OD1 3.27Å; A7-N123 WeakPolarHBondContact CA-OD1 3.44Å; A7-N123 WeakPolarHBondContact CB-OD1 3.3Å
8	V	96.2	Very high	75.5	Confident	80 Å²	80	94.6 Å²	94.6	49%	0.485	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-83.8	120.6	167.3	-176.9	0	0	0	0	108.2	V122 N123	V8-V122 HydrophobicContact CB-CG1 3.74Å; V8-V122 HydrophobicContact CG1-CG1 3.47Å; V8-V122 VanDerWaalsContact CG1-CG1 3.47Å; V8-V122 HydrophobicContact CG2-CG1 4.44Å; V8-N123 PolarHBondContact N-OD1 3.35Å; V8-N123 PolarHBondContact O-ND2 2.9Å
9	N	95.7	Very high	75.9	Confident	50 Å²	50	94.1 Å²	94.1	27%	0.267	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-77.5	151.1	179.2	-74.4	-61.2	0	0	0	111.8	G91 V92 D93	N9-G91 PolarHBondContact ND2-O 2.77Å; N9-V92 VanDerWaalsContact OD1-CA 3.25Å; N9-V92 WeakPolarHBondContact OD1-CA 3.44Å; N9-D93 VanDerWaalsContact CG-CG 3.4Å; N9-D93 PolarHBondContact OD1-N 2.98Å; N9-D93 PolarHBondContact OD1-OD1 2.99Å; N9-D93 VanDerWaalsContact OD1-OD1 3.13Å
10	V	92.8	Very high	76.6	Confident	16 Å²	16	91.6 Å²	91.6	10%	0.097	53%	0.529	C	S	.	.			trans	-131.8	142.9	176.9	-57.9	0	0	0	0	110.1	W115 R118 F119 V122	V10-W115 HydrophobicContact CG2-CZ2 4.27Å; V10-W115 PolarHBondContact O-NE1 3.14Å; V10-R118 HydrophobicContact CG2-CB 4.28Å; V10-F119 HydrophobicContact CG2-CB 3.78Å; V10-V122 HydrophobicContact CG1-CB 4.15Å; V10-V122 HydrophobicContact CG1-CG2 3.84Å
11	H	85.7	Confident	77.3	Confident	122 Å²	122	89.7 Å²	89.7	57%	0.565	52%	0.521	S	S	*	.			trans	-117.2	141.8	178.7	-53.4	-56	0	0	0	110	T13 D93	H11-T13 PolarHBondContact O-N 2.98Å; H11-D93 IonicContact CE1-OD2 3.32Å; H11-D93 PolarHBondContact CE1-OD2 2.49Å; H11-D93 VanDerWaalsContact CE1-OD2 3.32Å
12	S	72.2	Confident	79.6	Confident	67 Å²	67	81.2 Å²	81.2	47%	0.469	48%	0.476	S	S	.	.			trans	-77.7	115	172.8	-64.8	0	0	0	0	108.8	R118	S12-R118 PolarHBondContact OG-NH1 3.04Å
13	T	67.3	Low	81.1	Confident	87 Å²	87	80.3 Å²	80.3	53%	0.534	46%	0.456	S	S	.	.			trans	-108.6	145.6	164.2	56.7	0	0	0	0	108.8	H11 Q15 M16	H11-T13 PolarHBondContact O-N 2.98Å; T13-Q15 PolarHBondContact O-N 2.89Å; T13-M16 VanDerWaalsContact O-CG 3.25Å; T13-M16 WeakPolarHBondContact O-CG 3.48Å; T13-M16 PolarHBondContact O-N 3.07Å
14	S	62.5	Low	82	Confident	72 Å²	72	82 Å²	82	50%	0.503	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-10.7	-174.9	-61	0	0	0	0	114.1	E227	S14-E227 WeakPolarHBondContact CB-OE1 3.48Å; S14-E227 WeakPolarHBondContact CB-OE2 3.46Å; S14-E227 PolarHBondContact OG-OE1 3.43Å; S14-E227 PolarHBondContact OG-OE2 2.61Å
15	Q	56.4	Low	82.7	Confident	180 Å²	180	77.9 Å²	77.9	84%	0.841	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	5	177.7	-67.1	-178.9	-1.5	0	0	114.5	T13 T17	T13-Q15 PolarHBondContact O-N 2.89Å; Q15-T17 PolarHBondContact O-N 2.81Å; Q15-T17 VanDerWaalsContact O-N 3.11Å
16	M	61	Low	83.1	Confident	60 Å²	60	75 Å²	75	30%	0.296	41%	0.405	S	S	.	.			trans	-75.5	105.3	-178	-65.4	-177.3	107	0	0	110.9	T13 D18 N19 R118	T13-M16 VanDerWaalsContact O-CG 3.25Å; T13-M16 WeakPolarHBondContact O-CG 3.48Å; T13-M16 PolarHBondContact O-N 3.07Å; M16-D18 VanDerWaalsContact C-N 3.33Å; M16-N19 PolarHBondContact O-ND2 3.35Å; M16-N19 VanDerWaalsContact O-ND2 3.08Å; M16-R118 HydrophobicContact CE-CG 4.49Å; M16-R118 PolarHBondContact SD-NH1 3.13Å
17	T	60.9	Low	83.2	Confident	122 Å²	122	75.1 Å²	75.1	75%	0.748	41%	0.406	S	S	*	.			trans	-76.4	-16.4	-178.3	48.6	0	0	0	0	114.1	Q15 N19	Q15-T17 PolarHBondContact O-N 2.81Å; Q15-T17 VanDerWaalsContact O-N 3.11Å; T17-N19 VanDerWaalsContact C-N 3.26Å; T17-N19 PolarHBondContact O-N 3.03Å; T17-N19 VanDerWaalsContact O-N 3.12Å
18	D	71.6	Confident	83.3	Confident	129 Å²	129	76.2 Å²	76.2	69%	0.69	41%	0.407	S	S	*	.			trans	-93.9	36.3	-165	-49.6	-26.4	0	0	0	112.7	M16 L20	M16-D18 VanDerWaalsContact C-N 3.33Å; D18-L20 PolarHBondContact O-N 2.89Å
19	N	81.8	Confident	83.4	Confident	85 Å²	85	72.4 Å²	72.4	46%	0.455	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-74.8	120.2	177.3	-66.3	-47.8	0	0	0	110.2	M16 T17 R118	M16-N19 PolarHBondContact O-ND2 3.35Å; M16-N19 VanDerWaalsContact O-ND2 3.08Å; T17-N19 VanDerWaalsContact C-N 3.26Å; T17-N19 PolarHBondContact O-N 3.03Å; T17-N19 VanDerWaalsContact O-N 3.12Å; N19-R118 PolarHBondContact OD1-NH2 3.48Å
20	L	90.2	Very high	83.4	Confident	43 Å²	43	71.5 Å²	71.5	23%	0.225	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-69	145	173.4	-81.2	72.9	0	0	0	109.7	D18 E24 I25 Q114 K117	D18-L20 PolarHBondContact O-N 2.89Å; L20-E24 HydrophobicContact CB-CB 4.13Å; L20-E24 HydrophobicContact CD2-CB 4.12Å; L20-E24 HydrophobicContact CG-CB 4.29Å; L20-I25 HydrophobicContact CB-CB 3.9Å; L20-I25 HydrophobicContact CB-CD1 4.45Å; L20-I25 HydrophobicContact CB-CG1 4.39Å; L20-I25 HydrophobicContact CD2-CB 4.27Å; L20-I25 HydrophobicContact CD2-CG1 4.42Å; L20-Q114 PolarHBondContact O-NE2 3.41Å; L20-K117 HydrophobicContact CD1-CG 4.27Å
21	S	91.5	Very high	83.6	Confident	53 Å²	53	78.5 Å²	78.5	37%	0.371	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-63.3	161.2	167.7	71.5	0	0	0	0	110.8	N23 E24 I25	S21-N23 PolarHBondContact O-N 3.45Å; S21-N23 VanDerWaalsContact O-N 3.11Å; S21-E24 WeakPolarHBondContact CB-OE2 3.14Å; S21-E24 PolarHBondContact N-OE2 3.45Å; S21-E24 PolarHBondContact O-N 2.89Å; S21-E24 VanDerWaalsContact OG-CD 3.27Å; S21-E24 VanDerWaalsContact OG-CG 3.28Å; S21-E24 WeakPolarHBondContact OG-CG 3.46Å; S21-E24 PolarHBondContact OG-N 2.87Å; S21-E24 PolarHBondContact OG-OE2 3.42Å; S21-I25 PolarHBondContact O-N 3.39Å
22	R	90.1	Very high	84.1	Confident	66 Å²	66	73.7 Å²	73.7	25%	0.249	39%	0.39	C	S	.	.	H	α-helix	trans	-52.4	-36.2	177.9	76.2	-178.4	-159.3	-172.2	-0.3	113.6	I25 I26 F106 F110	R22-I25 WeakPolarHBondContact O-CG2 3.49Å; R22-I26 WeakPolarHBondContact O-CG1 3.45Å; R22-I26 PolarHBondContact O-N 3.27Å; R22-F106 HydrophobicContact CB-CE2 4.48Å; R22-F106 HydrophobicContact CB-CZ 4.39Å; R22-F110 HydrophobicContact CB-CE2 4.14Å
23	N	91.3	Very high	85.3	Confident	86 Å²	86	70.5 Å²	70.5	46%	0.46	37%	0.368	S	S	.	.	H	α-helix	trans	-77.4	-43.9	-176.8	-67.1	-22.1	0	0	0	110.2	S21 I26 Q27	S21-N23 PolarHBondContact O-N 3.45Å; S21-N23 VanDerWaalsContact O-N 3.11Å; N23-I26 PolarHBondContact O-N 3.17Å; N23-Q27 WeakPolarHBondContact O-CB 3.31Å; N23-Q27 WeakPolarHBondContact O-CG 3.45Å; N23-Q27 PolarHBondContact O-N 2.94Å
24	E	95.6	Very high	86.6	Confident	104 Å²	104	71.6 Å²	71.6	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-43.8	179.3	-69.8	166.1	131.5	0	0	111.2	L20 S21 I26 Q27 W28	L20-E24 HydrophobicContact CB-CB 4.13Å; L20-E24 HydrophobicContact CD2-CB 4.12Å; L20-E24 HydrophobicContact CG-CB 4.29Å; S21-E24 WeakPolarHBondContact CB-OE2 3.14Å; S21-E24 PolarHBondContact N-OE2 3.45Å; S21-E24 PolarHBondContact O-N 2.89Å; S21-E24 VanDerWaalsContact OG-CD 3.27Å; S21-E24 VanDerWaalsContact OG-CG 3.28Å; S21-E24 WeakPolarHBondContact OG-CG 3.46Å; S21-E24 PolarHBondContact OG-N 2.87Å; S21-E24 PolarHBondContact OG-OE2 3.42Å; E24-I26 VanDerWaalsContact C-N 3.34Å; E24-I26 PolarHBondContact O-N 3.24Å; E24-Q27 PolarHBondContact O-N 3.39Å; E24-W28 WeakPolarHBondContact O-CB 3.47Å; E24-W28 PolarHBondContact O-N 3.34Å
25	I	96.3	Very high	88.1	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-68.4	-34.9	-178.4	-155.2	163.2	0	0	0	112	L20 S21 R22 W28 V29 F110 L113 Q114 K117	L20-I25 HydrophobicContact CB-CB 3.9Å; L20-I25 HydrophobicContact CB-CD1 4.45Å; L20-I25 HydrophobicContact CB-CG1 4.39Å; L20-I25 HydrophobicContact CD2-CB 4.27Å; L20-I25 HydrophobicContact CD2-CG1 4.42Å; S21-I25 PolarHBondContact O-N 3.39Å; R22-I25 WeakPolarHBondContact O-CG2 3.49Å; I25-W28 HydrophobicContact CG1-CE3 3.94Å; I25-W28 HydrophobicContact CG1-CZ3 4.41Å; I25-W28 WeakPolarHBondContact O-CB 3.49Å; I25-W28 PolarHBondContact O-N 3.03Å; I25-V29 WeakPolarHBondContact O-CG2 3.37Å; I25-V29 PolarHBondContact O-N 3.1Å; I25-V29 VanDerWaalsContact O-N 3.13Å; I25-F110 HydrophobicContact CG2-CD2 4.39Å; I25-F110 HydrophobicContact CG2-CE2 3.91Å; I25-L113 HydrophobicContact CB-CD2 4.37Å; I25-L113 HydrophobicContact CD1-CB 4.37Å; I25-L113 HydrophobicContact CD1-CD2 4.04Å; I25-L113 HydrophobicContact CD1-CG 3.63Å; I25-L113 HydrophobicContact CG1-CD2 3.85Å; I25-L113 HydrophobicContact CG1-CG 3.83Å; I25-L113 HydrophobicContact CG2-CD2 3.7Å; I25-Q114 HydrophobicContact CD1-CG 4.32Å; I25-K117 HydrophobicContact CD1-CB 4.09Å
26	I	96.5	Very high	89.9	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.062	32%	0.318	C	S	.	.	H	α-helix	trans	-71	-39.9	174.9	-73.5	-68.5	0	0	0	111.5	R22 N23 E24 W28 V29 N30 Y37 V40 L43 L113	R22-I26 WeakPolarHBondContact O-CG1 3.45Å; R22-I26 PolarHBondContact O-N 3.27Å; N23-I26 PolarHBondContact O-N 3.17Å; E24-I26 VanDerWaalsContact C-N 3.34Å; E24-I26 PolarHBondContact O-N 3.24Å; I26-W28 VanDerWaalsContact C-N 3.3Å; I26-W28 PolarHBondContact O-N 2.94Å; I26-V29 PolarHBondContact O-N 3.18Å; I26-N30 WeakPolarHBondContact O-CB 3.39Å; I26-N30 PolarHBondContact O-N 2.96Å; I26-N30 PolarHBondContact O-ND2 3.21Å; I26-Y37 VanDerWaalsContact CG2-O 3.29Å; I26-Y37 WeakPolarHBondContact CG2-O 3.48Å; I26-V40 HydrophobicContact CD1-CB 4.24Å; I26-V40 HydrophobicContact CD1-CG2 3.77Å; I26-V40 HydrophobicContact CG1-CG2 3.58Å; I26-L43 HydrophobicContact CD1-CD1 3.56Å; I26-L113 HydrophobicContact CD1-CD2 4.49Å
27	Q	96.1	Very high	91.6	Very high	132 Å²	132	58.9 Å²	58.9	62%	0.617	31%	0.306	S	S	*	.	H	α-helix	trans	-61.6	-40	173.7	-74.2	173.5	9.5	0	0	111.5	N23 E24 N30 H31	N23-Q27 WeakPolarHBondContact O-CB 3.31Å; N23-Q27 WeakPolarHBondContact O-CG 3.45Å; N23-Q27 PolarHBondContact O-N 2.94Å; E24-Q27 PolarHBondContact O-N 3.39Å; Q27-N30 PolarHBondContact O-N 3.06Å; Q27-H31 WeakPolarHBondContact O-CB 3.31Å; Q27-H31 PolarHBondContact O-N 3.49Å
28	W	97.4	Very high	93.2	Very high	35 Å²	35	54.9 Å²	54.9	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-57.8	-51.5	173.5	163.7	67.8	0	0	0	111.9	E24 I25 I26 N30 H31 C32 L52 L113 F116 K117 F120	E24-W28 WeakPolarHBondContact O-CB 3.47Å; E24-W28 PolarHBondContact O-N 3.34Å; I25-W28 HydrophobicContact CG1-CE3 3.94Å; I25-W28 HydrophobicContact CG1-CZ3 4.41Å; I25-W28 WeakPolarHBondContact O-CB 3.49Å; I25-W28 PolarHBondContact O-N 3.03Å; I26-W28 VanDerWaalsContact C-N 3.3Å; I26-W28 PolarHBondContact O-N 2.94Å; W28-N30 VanDerWaalsContact C-N 3.31Å; W28-N30 PolarHBondContact O-N 3.36Å; W28-H31 WeakPolarHBondContact O-CB 3.38Å; W28-H31 PolarHBondContact O-N 2.8Å; W28-H31 VanDerWaalsContact O-N 3.17Å; W28-C32 PolarHBondContact NE1-SG 3.07Å; W28-C32 VanDerWaalsContact NE1-SG 3.36Å; W28-C32 PolarHBondContact O-N 3.1Å; W28-C32 PolarHBondContact O-SG 3.4Å; W28-L52 HydrophobicContact CH2-CD1 4.13Å; W28-L113 HydrophobicContact CZ3-CD1 3.98Å; W28-F116 HydrophobicContact CH2-CD1 4.26Å; W28-K117 HydrophobicContact CD2-CD 3.56Å; W28-K117 VanDerWaalsContact CE2-CD 3.44Å; W28-K117 HydrophobicContact CE3-CB 4.47Å; W28-K117 HydrophobicContact CE3-CD 3.7Å; W28-K117 HydrophobicContact CE3-CG 4.46Å; W28-K117 HydrophobicContact CG-CD 4.26Å; W28-K117 HydrophobicContact CH2-CB 4.19Å; W28-K117 HydrophobicContact CH2-CD 3.68Å; W28-K117 HydrophobicContact CZ2-CD 3.53Å; W28-K117 HydrophobicContact CZ3-CB 3.97Å; W28-K117 HydrophobicContact CZ3-CD 3.76Å; W28-K117 HydrophobicContact CZ3-CG 4.38Å; W28-F120 HydrophobicContact CH2-CB 4.2Å; W28-F120 HydrophobicContact CH2-CG 4.29Å; W28-F120 HydrophobicContact CZ2-CB 3.96Å; W28-F120 AromaticContact CZ2-CD1 3.74Å; W28-F120 HydrophobicContact CZ2-CD1 3.74Å; W28-F120 HydrophobicContact CZ2-CD2 4.06Å; W28-F120 HydrophobicContact CZ2-CE1 4.26Å; W28-F120 AromaticContact CZ2-CG 3.64Å; W28-F120 HydrophobicContact CZ2-CG 3.64Å
29	V	97.8	Very high	94.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.6	-44.9	177.6	175.8	0	0	0	0	111.1	I25 I26 H31 C32 L33 Y37 L43 A48 L113	I25-V29 WeakPolarHBondContact O-CG2 3.37Å; I25-V29 PolarHBondContact O-N 3.1Å; I25-V29 VanDerWaalsContact O-N 3.13Å; I26-V29 PolarHBondContact O-N 3.18Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 2.9Å; V29-C32 PolarHBondContact O-N 3.03Å; V29-L33 HydrophobicContact CG1-CD1 4.03Å; V29-L33 WeakPolarHBondContact O-CB 3.37Å; V29-L33 PolarHBondContact O-N 3.32Å; V29-Y37 HydrophobicContact CG1-CD2 3.92Å; V29-Y37 HydrophobicContact CG1-CE2 4.08Å; V29-L43 HydrophobicContact CG1-CD2 4.41Å; V29-L43 HydrophobicContact CG2-CD2 4.18Å; V29-A48 HydrophobicContact CG1-CB 4.4Å; V29-L113 HydrophobicContact CG2-CD1 4Å
30	N	97.2	Very high	95	Very high	31 Å²	31	50.8 Å²	50.8	17%	0.166	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-37.3	178.8	-75.4	-28.2	0	0	0	113.1	I26 Q27 W28 N34 S35 S36 Y37	I26-N30 WeakPolarHBondContact O-CB 3.39Å; I26-N30 PolarHBondContact O-N 2.96Å; I26-N30 PolarHBondContact O-ND2 3.21Å; Q27-N30 PolarHBondContact O-N 3.06Å; W28-N30 VanDerWaalsContact C-N 3.31Å; W28-N30 PolarHBondContact O-N 3.36Å; N30-N34 VanDerWaalsContact O-CA 3.26Å; N30-N34 WeakPolarHBondContact O-CA 3.21Å; N30-N34 PolarHBondContact O-N 2.98Å; N30-S35 WeakPolarHBondContact CA-OG 3.43Å; N30-S35 WeakPolarHBondContact CB-O 3.48Å; N30-S35 PolarHBondContact O-N 3.04Å; N30-S35 VanDerWaalsContact OD1-C 3.24Å; N30-S35 PolarHBondContact OD1-O 2.92Å; N30-S35 PolarHBondContact OD1-OG 3.23Å; N30-S36 PolarHBondContact OD1-N 3.29Å; N30-Y37 PolarHBondContact ND2-O 2.8Å; N30-Y37 WeakPolarHBondContact OD1-CB 3.33Å; N30-Y37 WeakPolarHBondContact OD1-CD2 3.35Å; N30-Y37 PolarHBondContact OD1-N 2.84Å
31	H	96	Very high	95.3	Very high	163 Å²	163	51.5 Å²	51.5	76%	0.755	26%	0.264	S	S	*	.	H	α-helix	trans	-66.3	-49.5	175.3	-176.9	75.5	0	0	0	111.5	Q27 W28 V29 L33	Q27-H31 WeakPolarHBondContact O-CB 3.31Å; Q27-H31 PolarHBondContact O-N 3.49Å; W28-H31 WeakPolarHBondContact O-CB 3.38Å; W28-H31 PolarHBondContact O-N 2.8Å; W28-H31 VanDerWaalsContact O-N 3.17Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 2.9Å; H31-L33 PolarHBondContact O-N 3.23Å
32	C	96.6	Very high	95.5	Very high	21 Å²	21	51.2 Å²	51.2	14%	0.142	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-43.9	179.3	-71	0	0	0	0	112.3	W28 V29 L52 M55	W28-C32 PolarHBondContact NE1-SG 3.07Å; W28-C32 VanDerWaalsContact NE1-SG 3.36Å; W28-C32 PolarHBondContact O-N 3.1Å; W28-C32 PolarHBondContact O-SG 3.4Å; V29-C32 PolarHBondContact O-N 3.03Å; C32-L52 HydrophobicContact CB-CD2 3.89Å; C32-M55 HydrophobicContact CB-CE 3.99Å; C32-M55 HydrophobicContact CB-SD 4.15Å; C32-M55 WeakPolarHBondContact O-CE 3.49Å
33	L	96.9	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-99.3	-2	-170.2	-59.3	-174.4	0	0	0	114.3	V29 H31 S35 A48 Q51 L52 A131 R135	V29-L33 HydrophobicContact CG1-CD1 4.03Å; V29-L33 WeakPolarHBondContact O-CB 3.37Å; V29-L33 PolarHBondContact O-N 3.32Å; H31-L33 PolarHBondContact O-N 3.23Å; L33-S35 VanDerWaalsContact C-N 3.26Å; L33-S35 PolarHBondContact O-N 3.08Å; L33-A48 HydrophobicContact CD1-CB 3.74Å; L33-Q51 HydrophobicContact CD2-CB 4.07Å; L33-Q51 HydrophobicContact CD2-CG 3.8Å; L33-L52 HydrophobicContact CD1-CD2 4.44Å; L33-L52 HydrophobicContact CD1-CG 4.13Å; L33-L52 HydrophobicContact CD2-CD2 3.84Å; L33-L52 HydrophobicContact CD2-CG 4.09Å; L33-L52 HydrophobicContact CG-CD2 4.07Å; L33-L52 HydrophobicContact CG-CG 4.28Å; L33-A131 HydrophobicContact CD2-CB 4.44Å; L33-R135 PolarHBondContact O-NH1 3.07Å; L33-R135 PolarHBondContact O-NH2 2.84Å
34	N	95.1	Very high	96.2	Very high	110 Å²	110	44.6 Å²	44.6	59%	0.588	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	49.8	-171	-153	33.4	0	0	0	111	N30	N30-N34 VanDerWaalsContact O-CA 3.26Å; N30-N34 WeakPolarHBondContact O-CA 3.21Å; N30-N34 PolarHBondContact O-N 2.98Å
35	S	94.7	Very high	96.4	Very high	18 Å²	18	40 Å²	40	13%	0.126	21%	0.206	C	C	.	.			trans	-113.5	174.9	-176.6	59.6	0	0	0	0	112.2	N30 L33 Y37	N30-S35 WeakPolarHBondContact CA-OG 3.43Å; N30-S35 WeakPolarHBondContact CB-O 3.48Å; N30-S35 PolarHBondContact O-N 3.04Å; N30-S35 VanDerWaalsContact OD1-C 3.24Å; N30-S35 PolarHBondContact OD1-O 2.92Å; N30-S35 PolarHBondContact OD1-OG 3.23Å; L33-S35 VanDerWaalsContact C-N 3.26Å; L33-S35 PolarHBondContact O-N 3.08Å; S35-Y37 VanDerWaalsContact OG-CD2 3.28Å; S35-Y37 WeakPolarHBondContact OG-CD2 3.48Å; S35-Y37 WeakPolarHBondContact OG-CE2 3.48Å
36	S	93.9	Very high	96.4	Very high	16 Å²	16	40 Å²	40	11%	0.112	21%	0.206	C	C	.	.			trans	-128	43.2	-179.6	72.3	0	0	0	0	113.2	N30 G38 G142 G144	N30-S36 PolarHBondContact OD1-N 3.29Å; S36-G38 PolarHBondContact O-N 3.26Å; S36-G142 CarbonylContact O-C 3.16Å; S36-G142 WeakPolarHBondContact O-CA 3.49Å; S36-G142 PolarHBondContact OG-N 3.46Å; S36-G142 VanDerWaalsContact OG-N 3.1Å; S36-G144 VanDerWaalsContact O-CA 3.24Å; S36-G144 WeakPolarHBondContact O-CA 3.46Å; S36-G144 PolarHBondContact O-N 3.06Å
37	Y	96	Very high	96.5	Very high	11 Å²	11	39.4 Å²	39.4	4%	0.043	20%	0.203	C	C	.	.			trans	-62.7	130.7	174.5	-63.8	-64	0	0	0	110.6	I26 V29 N30 S35 E42 L43 A48 I140	I26-Y37 VanDerWaalsContact CG2-O 3.29Å; I26-Y37 WeakPolarHBondContact CG2-O 3.48Å; V29-Y37 HydrophobicContact CG1-CD2 3.92Å; V29-Y37 HydrophobicContact CG1-CE2 4.08Å; N30-Y37 PolarHBondContact ND2-O 2.8Å; N30-Y37 WeakPolarHBondContact OD1-CB 3.33Å; N30-Y37 WeakPolarHBondContact OD1-CD2 3.35Å; N30-Y37 PolarHBondContact OD1-N 2.84Å; S35-Y37 VanDerWaalsContact OG-CD2 3.28Å; S35-Y37 WeakPolarHBondContact OG-CD2 3.48Å; S35-Y37 WeakPolarHBondContact OG-CE2 3.48Å; Y37-E42 WeakPolarHBondContact CA-OE2 3.32Å; Y37-E42 HydrophobicContact CD1-CB 3.58Å; Y37-E42 HydrophobicContact CE1-CB 4.11Å; Y37-L43 HydrophobicContact CD2-CD1 4.41Å; Y37-L43 HydrophobicContact CG-CD1 4.24Å; Y37-A48 HydrophobicContact CE2-CB 3.95Å; Y37-I140 HydrophobicContact CE1-CG2 3.84Å; Y37-I140 HydrophobicContact CE2-CG2 3.95Å; Y37-I140 VanDerWaalsContact CZ-CG2 3.44Å; Y37-I140 VanDerWaalsContact OH-CG2 3.31Å; Y37-I140 WeakPolarHBondContact OH-CG2 3.47Å
38	G	94.1	Very high	96.6	Very high	38 Å²	38	33.1 Å²	33.1	39%	0.392	17%	0.174	S	C	.	.			trans	-100.7	-21.2	178	0	0	0	0	0	113.3	S36 E42 G144	S36-G38 PolarHBondContact O-N 3.26Å; G38-E42 PolarHBondContact N-OE2 3.31Å; G38-G144 VanDerWaalsContact CA-CA 3.44Å; G38-G144 VanDerWaalsContact CA-N 3.34Å
39	K	94.7	Very high	96.7	Very high	123 Å²	123	31.5 Å²	31.5	54%	0.535	17%	0.167	S	C	.	.	S	Bend	trans	-141.7	149.5	-174.7	-56.5	-173.8	-178.8	-174.2	0	110.6	E41 E42	K39-E41 WeakPolarHBondContact CB-OE2 3.45Å; K39-E41 PolarHBondContact O-N 3.35Å; K39-E42 HydrophobicContact CB-CG 4.24Å; K39-E42 WeakPolarHBondContact O-CB 3.16Å; K39-E42 PolarHBondContact O-N 3.37Å
40	V	96.8	Very high	96.7	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.024	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-63.1	-35.1	179.7	175.4	0	0	0	0	111.2	I26 E42 L43 F106 N109 F110 L113	I26-V40 HydrophobicContact CD1-CB 4.24Å; I26-V40 HydrophobicContact CD1-CG2 3.77Å; I26-V40 HydrophobicContact CG1-CG2 3.58Å; V40-E42 PolarHBondContact O-N 3.5Å; V40-E42 VanDerWaalsContact O-N 3.12Å; V40-L43 WeakPolarHBondContact O-CB 3.4Å; V40-L43 WeakPolarHBondContact O-CD1 3.34Å; V40-L43 PolarHBondContact O-N 2.94Å; V40-F106 HydrophobicContact CB-CD2 4.09Å; V40-F106 HydrophobicContact CB-CE2 3.97Å; V40-F106 HydrophobicContact CG2-CE2 3.9Å; V40-N109 HydrophobicContact CG1-CB 4.04Å; V40-F110 HydrophobicContact CG1-CB 3.97Å; V40-F110 HydrophobicContact CG1-CD2 4.22Å; V40-F110 HydrophobicContact CG2-CD2 4.07Å; V40-L113 HydrophobicContact CG1-CD2 4.15Å
41	E	96.5	Very high	96.8	Very high	59 Å²	59	30 Å²	30	28%	0.276	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-59	-24.2	179.2	-59.7	94.1	128.4	0	0	112.7	K39 L43 C44 G104 F106	K39-E41 WeakPolarHBondContact CB-OE2 3.45Å; K39-E41 PolarHBondContact O-N 3.35Å; E41-L43 PolarHBondContact O-N 3.37Å; E41-C44 WeakPolarHBondContact O-CB 3.23Å; E41-C44 PolarHBondContact O-N 2.98Å; E41-C44 VanDerWaalsContact O-N 3.09Å; E41-C44 PolarHBondContact O-SG 3.02Å; E41-G104 WeakPolarHBondContact CB-O 3.43Å; E41-G104 VanDerWaalsContact CG-O 3.24Å; E41-G104 WeakPolarHBondContact CG-O 3.17Å; E41-F106 HydrophobicContact CG-CB 4.06Å
42	E	97	Very high	96.9	Very high	46 Å²	46	22.2 Å²	22.2	22%	0.215	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-69.6	-19.4	178.5	-60.7	-175.8	145	0	0	113	Y37 G38 K39 V40 C44 S45 S143	Y37-E42 WeakPolarHBondContact CA-OE2 3.32Å; Y37-E42 HydrophobicContact CD1-CB 3.58Å; Y37-E42 HydrophobicContact CE1-CB 4.11Å; G38-E42 PolarHBondContact N-OE2 3.31Å; K39-E42 HydrophobicContact CB-CG 4.24Å; K39-E42 WeakPolarHBondContact O-CB 3.16Å; K39-E42 PolarHBondContact O-N 3.37Å; V40-E42 PolarHBondContact O-N 3.5Å; V40-E42 VanDerWaalsContact O-N 3.12Å; E42-C44 PolarHBondContact O-N 2.57Å; E42-S45 PolarHBondContact O-N 3.31Å; E42-S45 PolarHBondContact O-OG 2.72Å; E42-S143 VanDerWaalsContact CD-OG 3.29Å; E42-S143 WeakPolarHBondContact OE1-CA 3.24Å; E42-S143 WeakPolarHBondContact OE1-CB 3.35Å; E42-S143 PolarHBondContact OE1-N 2.6Å; E42-S143 PolarHBondContact OE1-OG 3.27Å; E42-S143 PolarHBondContact OE2-N 3.42Å
43	L	98	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-72.2	-7.2	173.4	-73.3	78.5	0	0	0	112.3	I26 V29 Y37 V40 E41 S45 G46 A48 Y49 L113	I26-L43 HydrophobicContact CD1-CD1 3.56Å; V29-L43 HydrophobicContact CG1-CD2 4.41Å; V29-L43 HydrophobicContact CG2-CD2 4.18Å; Y37-L43 HydrophobicContact CD2-CD1 4.41Å; Y37-L43 HydrophobicContact CG-CD1 4.24Å; V40-L43 WeakPolarHBondContact O-CB 3.4Å; V40-L43 WeakPolarHBondContact O-CD1 3.34Å; V40-L43 PolarHBondContact O-N 2.94Å; E41-L43 PolarHBondContact O-N 3.37Å; L43-S45 PolarHBondContact O-N 3.08Å; L43-G46 PolarHBondContact O-N 3.23Å; L43-A48 HydrophobicContact CD2-CB 4.47Å; L43-A48 HydrophobicContact CG-CB 4.32Å; L43-Y49 HydrophobicContact CB-CE2 3.95Å; L43-Y49 HydrophobicContact CD2-CE1 4.2Å; L43-Y49 HydrophobicContact CD2-CE2 4.4Å; L43-L113 HydrophobicContact CD2-CD1 3.59Å; L43-L113 HydrophobicContact CD2-CD2 3.89Å; L43-L113 HydrophobicContact CD2-CG 4.29Å
44	C	98.2	Very high	96.9	Very high	13 Å²	13	21.6 Å²	21.6	9%	0.088	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-58.4	-16.2	171.4	73.1	0	0	0	0	113.7	E41 E42 G46 Y76 F80 L101 N109	E41-C44 WeakPolarHBondContact O-CB 3.23Å; E41-C44 PolarHBondContact O-N 2.98Å; E41-C44 VanDerWaalsContact O-N 3.09Å; E41-C44 PolarHBondContact O-SG 3.02Å; E42-C44 PolarHBondContact O-N 2.57Å; C44-G46 PolarHBondContact O-N 3.41Å; C44-Y76 WeakPolarHBondContact O-CB 3.4Å; C44-F80 WeakPolarHBondContact O-CE2 3.38Å; C44-L101 WeakPolarHBondContact CB-O 3.46Å; C44-N109 WeakPolarHBondContact CA-OD1 3.28Å; C44-N109 PolarHBondContact N-OD1 3.08Å
45	S	97.8	Very high	97	Very high	8 Å²	8	16.7 Å²	16.7	6%	0.056	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-66.8	-19.6	173.8	65.9	0	0	0	0	113.3	E42 L43 A47 N79	E42-S45 PolarHBondContact O-N 3.31Å; E42-S45 PolarHBondContact O-OG 2.72Å; L43-S45 PolarHBondContact O-N 3.08Å; S45-A47 PolarHBondContact O-N 3.41Å; S45-A47 VanDerWaalsContact O-N 3.1Å; S45-N79 WeakPolarHBondContact O-CB 3.48Å; S45-N79 PolarHBondContact O-ND2 3.17Å
46	G	98.2	Very high	97.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	74.6	-12.8	-177.9	0	0	0	0	0	115.2	L43 C44 Y49 C50	L43-G46 PolarHBondContact O-N 3.23Å; C44-G46 PolarHBondContact O-N 3.41Å; G46-Y49 PolarHBondContact O-N 3.32Å; G46-C50 PolarHBondContact O-N 2.84Å; G46-C50 PolarHBondContact O-SG 3.03Å
47	A	98.2	Very high	97.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.7	-39.9	-174.3	0	0	0	0	0	112.7	S45 Y49 C50 Q51 V66 F68	S45-A47 PolarHBondContact O-N 3.41Å; S45-A47 VanDerWaalsContact O-N 3.1Å; A47-Y49 PolarHBondContact O-N 3.22Å; A47-C50 PolarHBondContact O-N 3.03Å; A47-Q51 PolarHBondContact O-N 3.28Å; A47-Q51 VanDerWaalsContact O-N 3.16Å; A47-V66 HydrophobicContact CB-CG1 3.83Å; A47-F68 HydrophobicContact CB-CD1 3.9Å; A47-F68 HydrophobicContact CB-CE1 4.38Å; A47-F68 HydrophobicContact CB-CG 4.49Å
48	A	98.3	Very high	97.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58	-47.9	176.9	0	0	0	0	0	111.6	V29 L33 Y37 L43 C50 Q51 L52	V29-A48 HydrophobicContact CG1-CB 4.4Å; L33-A48 HydrophobicContact CD1-CB 3.74Å; Y37-A48 HydrophobicContact CE2-CB 3.95Å; L43-A48 HydrophobicContact CD2-CB 4.47Å; L43-A48 HydrophobicContact CG-CB 4.32Å; A48-C50 PolarHBondContact O-N 3.21Å; A48-Q51 PolarHBondContact O-N 3.1Å; A48-L52 WeakPolarHBondContact O-CG 3.19Å; A48-L52 PolarHBondContact O-N 3.31Å
49	Y	98.6	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-42.5	179.2	-61	-63.9	0	0	0	112.3	L43 G46 A47 Q51 L52 V53 F80 L83 F112 L113 F116	L43-Y49 HydrophobicContact CB-CE2 3.95Å; L43-Y49 HydrophobicContact CD2-CE1 4.2Å; L43-Y49 HydrophobicContact CD2-CE2 4.4Å; G46-Y49 PolarHBondContact O-N 3.32Å; A47-Y49 PolarHBondContact O-N 3.22Å; Y49-Q51 VanDerWaalsContact C-N 3.26Å; Y49-Q51 PolarHBondContact O-N 3.46Å; Y49-L52 PolarHBondContact O-N 3.09Å; Y49-V53 WeakPolarHBondContact O-CG2 3.09Å; Y49-V53 PolarHBondContact O-N 2.54Å; Y49-F80 AromaticContact CD2-CE1 3.78Å; Y49-F80 HydrophobicContact CD2-CE1 3.78Å; Y49-F80 HydrophobicContact CD2-CZ 4.23Å; Y49-F80 HydrophobicContact CE2-CE1 4.14Å; Y49-F80 HydrophobicContact CE2-CZ 4.27Å; Y49-L83 HydrophobicContact CG-CD2 4.29Å; Y49-F112 HydrophobicContact CD1-CD1 4.48Å; Y49-F112 HydrophobicContact CD1-CE1 4.04Å; Y49-F112 HydrophobicContact CD2-CE1 4.15Å; Y49-F112 AromaticContact CE1-CD1 3.91Å; Y49-F112 HydrophobicContact CE1-CD1 3.91Å; Y49-F112 AromaticContact CE1-CE1 3.93Å; Y49-F112 HydrophobicContact CE1-CE1 3.93Å; Y49-F112 AromaticContact CE2-CD1 3.96Å; Y49-F112 HydrophobicContact CE2-CD1 3.96Å; Y49-F112 HydrophobicContact CE2-CE1 4.05Å; Y49-F112 HydrophobicContact CG-CE1 4.15Å; Y49-F112 AromaticContact CZ-CD1 3.62Å; Y49-F112 AromaticContact CZ-CE1 3.94Å; Y49-L113 HydrophobicContact CE1-CD1 3.76Å; Y49-F116 HydrophobicContact CD1-CB 4.36Å; Y49-F116 HydrophobicContact CD1-CD1 4.06Å; Y49-F116 AromaticContact CD1-CD2 3.53Å; Y49-F116 HydrophobicContact CD1-CD2 3.53Å; Y49-F116 HydrophobicContact CD1-CE1 4.28Å; Y49-F116 AromaticContact CD1-CE2 3.76Å; Y49-F116 HydrophobicContact CD1-CE2 3.76Å; Y49-F116 AromaticContact CD1-CG 3.7Å; Y49-F116 HydrophobicContact CD1-CG 3.7Å; Y49-F116 HydrophobicContact CD1-CZ 4.14Å; Y49-F116 HydrophobicContact CE1-CB 4.08Å; Y49-F116 HydrophobicContact CE1-CD1 4.39Å; Y49-F116 HydrophobicContact CE1-CD2 4.08Å; Y49-F116 AromaticContact CE1-CG 3.92Å; Y49-F116 HydrophobicContact CE1-CG 3.92Å; Y49-F116 HydrophobicContact CG-CD2 4.39Å; Y49-F116 HydrophobicContact CG-CE2 4.34Å
50	C	98.4	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.4	-45.5	176.2	-67.9	0	0	0	0	111.2	G46 A47 A48 V53 D54 L61 V66 N79	G46-C50 PolarHBondContact O-N 2.84Å; G46-C50 PolarHBondContact O-SG 3.03Å; A47-C50 PolarHBondContact O-N 3.03Å; A48-C50 PolarHBondContact O-N 3.21Å; C50-V53 PolarHBondContact O-N 2.79Å; C50-D54 PolarHBondContact O-N 2.99Å; C50-D54 VanDerWaalsContact O-N 3.12Å; C50-L61 HydrophobicContact CB-CD1 3.98Å; C50-L61 HydrophobicContact CB-CD2 4.29Å; C50-V66 HydrophobicContact CB-CG1 4.34Å; C50-V66 HydrophobicContact CB-CG2 3.92Å; C50-N79 PolarHBondContact SG-O 3.05Å
51	Q	98	Very high	96.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-73.8	-35	-179.7	-169.4	171.8	11.1	0	0	113.3	L33 A47 A48 Y49 V53 D54 M55 F63 F68 Y129 A131 R135	L33-Q51 HydrophobicContact CD2-CB 4.07Å; L33-Q51 HydrophobicContact CD2-CG 3.8Å; A47-Q51 PolarHBondContact O-N 3.28Å; A47-Q51 VanDerWaalsContact O-N 3.16Å; A48-Q51 PolarHBondContact O-N 3.1Å; Y49-Q51 VanDerWaalsContact C-N 3.26Å; Y49-Q51 PolarHBondContact O-N 3.46Å; Q51-V53 VanDerWaalsContact C-N 3.27Å; Q51-V53 PolarHBondContact O-N 3.31Å; Q51-D54 WeakPolarHBondContact O-CB 3.26Å; Q51-D54 PolarHBondContact O-N 3.33Å; Q51-D54 VanDerWaalsContact O-N 3.17Å; Q51-M55 PolarHBondContact O-N 3.34Å; Q51-F63 HydrophobicContact CG-CE1 4.34Å; Q51-F68 HydrophobicContact CB-CE1 4.1Å; Q51-Y129 HydrophobicContact CG-CE1 4.36Å; Q51-Y129 WeakPolarHBondContact CG-OH 3.3Å; Q51-A131 PolarHBondContact NE2-O 2.97Å; Q51-R135 VanDerWaalsContact CD-NH1 3.34Å; Q51-R135 VanDerWaalsContact OE1-CD 3.3Å
52	L	98.3	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-36.3	173	-72.2	167.7	0	0	0	111.5	W28 C32 L33 A48 Y49 M55 L56 F116 F120	W28-L52 HydrophobicContact CH2-CD1 4.13Å; C32-L52 HydrophobicContact CB-CD2 3.89Å; L33-L52 HydrophobicContact CD1-CD2 4.44Å; L33-L52 HydrophobicContact CD1-CG 4.13Å; L33-L52 HydrophobicContact CD2-CD2 3.84Å; L33-L52 HydrophobicContact CD2-CG 4.09Å; L33-L52 HydrophobicContact CG-CD2 4.07Å; L33-L52 HydrophobicContact CG-CG 4.28Å; A48-L52 WeakPolarHBondContact O-CG 3.19Å; A48-L52 PolarHBondContact O-N 3.31Å; Y49-L52 PolarHBondContact O-N 3.09Å; L52-M55 HydrophobicContact CD2-SD 4.46Å; L52-M55 WeakPolarHBondContact O-CB 3.38Å; L52-M55 PolarHBondContact O-N 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.17Å; L52-L56 PolarHBondContact O-N 3.32Å; L52-F116 HydrophobicContact CB-CE1 3.56Å; L52-F116 HydrophobicContact CB-CZ 3.77Å; L52-F116 HydrophobicContact CD1-CD1 4.19Å; L52-F116 HydrophobicContact CD1-CE1 3.72Å; L52-F116 HydrophobicContact CD1-CZ 4.46Å; L52-F116 HydrophobicContact CG-CE1 4.26Å; L52-F120 HydrophobicContact CD2-CD2 4.37Å; L52-F120 HydrophobicContact CD2-CE2 4.05Å
53	V	97.7	Very high	96.7	Very high	1 Å²	1	19 Å²	19	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-68.2	-36.5	173	179	0	0	0	0	111.8	Y49 C50 Q51 M55 L56 F57 L83 L86 F87 F116	Y49-V53 WeakPolarHBondContact O-CG2 3.09Å; Y49-V53 PolarHBondContact O-N 2.54Å; C50-V53 PolarHBondContact O-N 2.79Å; Q51-V53 VanDerWaalsContact C-N 3.27Å; Q51-V53 PolarHBondContact O-N 3.31Å; V53-M55 VanDerWaalsContact C-N 3.27Å; V53-M55 PolarHBondContact O-N 3.23Å; V53-L56 PolarHBondContact O-N 2.86Å; V53-L56 VanDerWaalsContact O-N 3.16Å; V53-F57 HydrophobicContact CG1-CD2 4.03Å; V53-F57 PolarHBondContact O-N 2.95Å; V53-L83 HydrophobicContact CG2-CD1 3.6Å; V53-L86 HydrophobicContact CB-CD1 4.17Å; V53-L86 HydrophobicContact CG1-CB 3.92Å; V53-L86 HydrophobicContact CG1-CD1 4.05Å; V53-L86 HydrophobicContact CG1-CG 4.45Å; V53-F87 HydrophobicContact CG2-CD1 4.37Å; V53-F87 HydrophobicContact CG2-CE1 3.79Å; V53-F116 HydrophobicContact CG2-CE2 3.98Å; V53-F116 HydrophobicContact CG2-CZ 3.76Å
54	D	97	Very high	96.6	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-36.1	170.7	-173.3	68.1	0	0	0	112	C50 Q51 L56 F57 P58 G59 L61 F63 Y129	C50-D54 PolarHBondContact O-N 2.99Å; C50-D54 VanDerWaalsContact O-N 3.12Å; Q51-D54 WeakPolarHBondContact O-CB 3.26Å; Q51-D54 PolarHBondContact O-N 3.33Å; Q51-D54 VanDerWaalsContact O-N 3.17Å; D54-L56 VanDerWaalsContact C-N 3.33Å; D54-F57 CarbonylContact O-C 3.47Å; D54-F57 PolarHBondContact O-N 3.37Å; D54-P58 WeakPolarHBondContact O-CA 3.13Å; D54-G59 PolarHBondContact OD1-N 3.37Å; D54-L61 HydrophobicContact CB-CB 3.62Å; D54-L61 HydrophobicContact CB-CD2 3.89Å; D54-L61 HydrophobicContact CB-CG 4.39Å; D54-L61 WeakPolarHBondContact OD1-CB 3.19Å; D54-F63 HydrophobicContact CB-CZ 4.33Å; D54-F63 VanDerWaalsContact OD2-CE2 3.32Å; D54-F63 WeakPolarHBondContact OD2-CE2 3.4Å; D54-F63 VanDerWaalsContact OD2-CZ 3.23Å; D54-F63 WeakPolarHBondContact OD2-CZ 3.38Å; D54-Y129 VanDerWaalsContact OD2-CE2 3.28Å; D54-Y129 WeakPolarHBondContact OD2-CE2 3.02Å; D54-Y129 PolarHBondContact OD2-OH 3.1Å
55	M	97.1	Very high	96.5	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-31.5	172.7	177.8	-174.8	-85.1	0	0	112.4	C32 Q51 L52 V53 F120 Y124 H127 Y129	C32-M55 HydrophobicContact CB-CE 3.99Å; C32-M55 HydrophobicContact CB-SD 4.15Å; C32-M55 WeakPolarHBondContact O-CE 3.49Å; Q51-M55 PolarHBondContact O-N 3.34Å; L52-M55 HydrophobicContact CD2-SD 4.46Å; L52-M55 WeakPolarHBondContact O-CB 3.38Å; L52-M55 PolarHBondContact O-N 3.25Å; V53-M55 VanDerWaalsContact C-N 3.27Å; V53-M55 PolarHBondContact O-N 3.23Å; M55-F120 HydrophobicContact CG-CE2 4.22Å; M55-F120 HydrophobicContact CG-CZ 4.31Å; M55-F120 HydrophobicContact SD-CE2 3.75Å; M55-F120 HydrophobicContact SD-CZ 3.59Å; M55-F120 VanDerWaalsContact SD-CZ 3.59Å; M55-Y124 HydrophobicContact CG-CD2 4.32Å; M55-Y124 HydrophobicContact CG-CE2 3.71Å; M55-Y124 HydrophobicContact SD-CE2 4.18Å; M55-H127 PolarHBondContact O-CE1 2.93Å; M55-H127 PolarHBondContact O-NE2 3.4Å; M55-Y129 HydrophobicContact CB-CD1 3.95Å; M55-Y129 HydrophobicContact CB-CD2 3.96Å; M55-Y129 HydrophobicContact CB-CE1 3.97Å; M55-Y129 HydrophobicContact CB-CE2 4.03Å; M55-Y129 HydrophobicContact CB-CG 3.92Å; M55-Y129 HydrophobicContact CE-CD1 3.22Å; M55-Y129 HydrophobicContact CE-CE1 3.95Å; M55-Y129 HydrophobicContact CE-CG 3.81Å; M55-Y129 HydrophobicContact CG-CD1 3.94Å; M55-Y129 HydrophobicContact CG-CD2 4.13Å; M55-Y129 HydrophobicContact CG-CE1 4.47Å; M55-Y129 HydrophobicContact CG-CG 3.73Å; M55-Y129 HydrophobicContact SD-CD1 4.41Å
56	L	97.4	Very high	96.5	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-75.6	-39.3	173.2	-67.3	172.3	0	0	0	111.8	L52 V53 D54 F119 F120 N123 Y124	L52-L56 WeakPolarHBondContact O-CG 3.17Å; L52-L56 PolarHBondContact O-N 3.32Å; V53-L56 PolarHBondContact O-N 2.86Å; V53-L56 VanDerWaalsContact O-N 3.16Å; D54-L56 VanDerWaalsContact C-N 3.33Å; L56-F119 HydrophobicContact CD1-CD1 3.98Å; L56-F119 HydrophobicContact CD1-CE1 3.52Å; L56-F119 HydrophobicContact CD1-CZ 4.35Å; L56-F120 HydrophobicContact CD1-CD2 3.96Å; L56-F120 HydrophobicContact CD2-CD2 3.58Å; L56-F120 HydrophobicContact CD2-CE2 3.74Å; L56-F120 HydrophobicContact CD2-CG 4.01Å; L56-F120 HydrophobicContact CD2-CZ 4.3Å; L56-F120 HydrophobicContact CG-CD2 3.74Å; L56-F120 HydrophobicContact CG-CE2 3.96Å; L56-N123 HydrophobicContact CD1-CB 4.22Å; L56-N123 HydrophobicContact CD2-CB 3.88Å; L56-Y124 HydrophobicContact CD2-CD2 4.09Å; L56-Y124 HydrophobicContact CD2-CG 4.34Å
57	F	95.5	Very high	96.5	Very high	17 Å²	17	38.9 Å²	38.9	8%	0.075	21%	0.207	C	C	.	.	S	Bend	trans	-132.4	80	-175.2	-48.6	-68.7	0	0	0	110.7	P5 A7 V53 D54 T60 H90 F119 N123	P5-F57 HydrophobicContact CB-CD1 4.4Å; P5-F57 HydrophobicContact CG-CD1 4.01Å; A7-F57 HydrophobicContact CB-CE2 4.11Å; A7-F57 HydrophobicContact CB-CZ 3.61Å; V53-F57 HydrophobicContact CG1-CD2 4.03Å; V53-F57 PolarHBondContact O-N 2.95Å; D54-F57 CarbonylContact O-C 3.47Å; D54-F57 PolarHBondContact O-N 3.37Å; F57-T60 HydrophobicContact CB-CG2 3.88Å; F57-T60 WeakPolarHBondContact O-CB 3.46Å; F57-T60 WeakPolarHBondContact O-CG2 3.39Å; F57-T60 PolarHBondContact O-N 2.87Å; F57-T60 PolarHBondContact O-OG1 3.47Å; F57-H90 VanDerWaalsContact CB-CE1 3.47Å; F57-H90 WeakPolarHBondContact CB-CE1 3.47Å; F57-H90 AromaticContact CD1-ND1 3.93Å; F57-H90 HydrophobicContact CD2-CB 4.44Å; F57-H90 AromaticContact CD2-CD2 3.83Å; F57-H90 AromaticContact CD2-CE1 3.95Å; F57-H90 AromaticContact CD2-CG 3.77Å; F57-H90 AromaticContact CD2-ND1 3.84Å; F57-H90 HydrophobicContact CE2-CB 4.22Å; F57-H90 AromaticContact CG-CE1 3.55Å; F57-H90 AromaticContact CG-ND1 3.67Å; F57-H90 AromaticContact CG-NE2 3.94Å; F57-F119 HydrophobicContact CE2-CZ 4.37Å; F57-N123 HydrophobicContact CZ-CB 4.29Å
58	P	94.1	Very high	96.4	Very high	79 Å²	79	39.4 Å²	39.4	51%	0.513	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	138.4	-173.7	-29.7	36.5	0	0	0	114.4	D54 T60 H127	D54-P58 WeakPolarHBondContact O-CA 3.13Å; P58-T60 VanDerWaalsContact C-N 3.31Å; P58-T60 PolarHBondContact O-N 3.07Å; P58-H127 VanDerWaalsContact CG-NE2 3.29Å; P58-H127 WeakPolarHBondContact CG-NE2 3.46Å
59	G	90.5	Very high	96.2	Very high	74 Å²	74	42.3 Å²	42.3	76%	0.763	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	7.4	176.2	0	0	0	0	0	114.3	D54	D54-G59 PolarHBondContact OD1-N 3.37Å
60	T	92.4	Very high	96	Very high	26 Å²	26	43 Å²	43	16%	0.16	23%	0.229	C	C	.	.			trans	-91.2	-28	178.9	62.2	0	0	0	0	112.3	F57 P58 L86 H90	F57-T60 HydrophobicContact CB-CG2 3.88Å; F57-T60 WeakPolarHBondContact O-CB 3.46Å; F57-T60 WeakPolarHBondContact O-CG2 3.39Å; F57-T60 PolarHBondContact O-N 2.87Å; F57-T60 PolarHBondContact O-OG1 3.47Å; P58-T60 VanDerWaalsContact C-N 3.31Å; P58-T60 PolarHBondContact O-N 3.07Å; T60-L86 WeakPolarHBondContact O-CD2 3.42Å; T60-H90 WeakPolarHBondContact CG2-NE2 3.31Å
61	L	96.2	Very high	95.8	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.068	27%	0.267	C	S	.	.			trans	-83.2	131.8	179.1	179	67.8	0	0	0	111.9	C50 D54 F63 V66 V82 L86	C50-L61 HydrophobicContact CB-CD1 3.98Å; C50-L61 HydrophobicContact CB-CD2 4.29Å; D54-L61 HydrophobicContact CB-CB 3.62Å; D54-L61 HydrophobicContact CB-CD2 3.89Å; D54-L61 HydrophobicContact CB-CG 4.39Å; D54-L61 WeakPolarHBondContact OD1-CB 3.19Å; L61-F63 HydrophobicContact CB-CE2 4.31Å; L61-F63 HydrophobicContact CD2-CD1 4.14Å; L61-F63 HydrophobicContact CD2-CD2 4.16Å; L61-F63 HydrophobicContact CD2-CE1 3.94Å; L61-F63 HydrophobicContact CD2-CE2 3.95Å; L61-F63 HydrophobicContact CD2-CG 4.24Å; L61-F63 HydrophobicContact CD2-CZ 3.82Å; L61-F63 HydrophobicContact CG-CD2 4.27Å; L61-F63 HydrophobicContact CG-CE2 4.33Å; L61-F63 PolarHBondContact O-N 3.33Å; L61-V66 HydrophobicContact CD1-CG2 3.72Å; L61-V66 HydrophobicContact CD2-CG2 4.4Å; L61-V66 HydrophobicContact CG-CG2 4.43Å; L61-V82 HydrophobicContact CD1-CG1 3.7Å; L61-L86 HydrophobicContact CD1-CD1 3.77Å
62	L	95.4	Very high	95.7	Very high	95 Å²	95	56 Å²	56	50%	0.497	29%	0.289	S	S	.	.			trans	-90.9	88.7	167.8	-174.3	57.9	0	0	0	109.7	K64 K65	L62-K64 PolarHBondContact O-N 3.22Å; L62-K65 HydrophobicContact CB-CG 4.5Å; L62-K65 HydrophobicContact CD2-CD 3.86Å; L62-K65 HydrophobicContact CD2-CG 3.91Å; L62-K65 HydrophobicContact CG-CD 4.46Å; L62-K65 HydrophobicContact CG-CG 4.17Å; L62-K65 WeakPolarHBondContact O-CB 3.38Å; L62-K65 PolarHBondContact O-N 3.47Å
63	F	96	Very high	95.6	Very high	49 Å²	49	60 Å²	60	22%	0.215	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-47.8	-37.4	-176.2	-80.5	-94.3	0	0	0	114.2	Q51 D54 L61 K65 V66 F68 A134 R135	Q51-F63 HydrophobicContact CG-CE1 4.34Å; D54-F63 HydrophobicContact CB-CZ 4.33Å; D54-F63 VanDerWaalsContact OD2-CE2 3.32Å; D54-F63 WeakPolarHBondContact OD2-CE2 3.4Å; D54-F63 VanDerWaalsContact OD2-CZ 3.23Å; D54-F63 WeakPolarHBondContact OD2-CZ 3.38Å; L61-F63 HydrophobicContact CB-CE2 4.31Å; L61-F63 HydrophobicContact CD2-CD1 4.14Å; L61-F63 HydrophobicContact CD2-CD2 4.16Å; L61-F63 HydrophobicContact CD2-CE1 3.94Å; L61-F63 HydrophobicContact CD2-CE2 3.95Å; L61-F63 HydrophobicContact CD2-CG 4.24Å; L61-F63 HydrophobicContact CD2-CZ 3.82Å; L61-F63 HydrophobicContact CG-CD2 4.27Å; L61-F63 HydrophobicContact CG-CE2 4.33Å; L61-F63 PolarHBondContact O-N 3.33Å; F63-K65 PolarHBondContact O-N 3.45Å; F63-V66 PolarHBondContact O-N 2.88Å; F63-F68 AromaticContact CD1-CE2 3.86Å; F63-F68 HydrophobicContact CD1-CE2 3.86Å; F63-F68 AromaticContact CD1-CZ 3.73Å; F63-F68 HydrophobicContact CD1-CZ 3.73Å; F63-F68 HydrophobicContact CE1-CE2 4.46Å; F63-F68 AromaticContact CE1-CZ 3.91Å; F63-F68 HydrophobicContact CE1-CZ 3.91Å; F63-A134 WeakPolarHBondContact CD1-O 3.24Å; F63-A134 HydrophobicContact CE1-CB 3.97Å; F63-A134 WeakPolarHBondContact CE1-O 3.47Å; F63-A134 HydrophobicContact CE2-CB 4.3Å; F63-A134 HydrophobicContact CZ-CB 3.57Å; F63-R135 HydrophobicContact CD1-CG 4.38Å; F63-R135 HydrophobicContact CE1-CG 4.08Å
64	K	95.5	Very high	95.6	Very high	192 Å²	192	65.2 Å²	65.2	84%	0.835	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-58.6	-21.6	177.9	-67.8	-177	177.9	177.7	0	114.5	L62	L62-K64 PolarHBondContact O-N 3.22Å
65	K	96.5	Very high	95.7	Very high	135 Å²	135	66.8 Å²	66.8	59%	0.587	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-88	-12.7	178	-70.7	-170.8	171.5	177.7	0	113.4	L62 F63 V82	L62-K65 HydrophobicContact CB-CG 4.5Å; L62-K65 HydrophobicContact CD2-CD 3.86Å; L62-K65 HydrophobicContact CD2-CG 3.91Å; L62-K65 HydrophobicContact CG-CD 4.46Å; L62-K65 HydrophobicContact CG-CG 4.17Å; L62-K65 WeakPolarHBondContact O-CB 3.38Å; L62-K65 PolarHBondContact O-N 3.47Å; F63-K65 PolarHBondContact O-N 3.45Å; K65-V82 HydrophobicContact CB-CG2 4.01Å
66	V	97.8	Very high	95.8	Very high	8 Å²	8	68.3 Å²	68.3	5%	0.048	35%	0.345	C	S	.	.			trans	-97.9	135.2	-179	-177.8	0	0	0	0	109.6	A47 C50 L61 F63 F68 N79 V82	A47-V66 HydrophobicContact CB-CG1 3.83Å; C50-V66 HydrophobicContact CB-CG1 4.34Å; C50-V66 HydrophobicContact CB-CG2 3.92Å; L61-V66 HydrophobicContact CD1-CG2 3.72Å; L61-V66 HydrophobicContact CD2-CG2 4.4Å; L61-V66 HydrophobicContact CG-CG2 4.43Å; F63-V66 PolarHBondContact O-N 2.88Å; V66-F68 HydrophobicContact CB-CE2 4.04Å; V66-F68 HydrophobicContact CB-CZ 4.21Å; V66-F68 HydrophobicContact CG1-CD1 4.38Å; V66-F68 HydrophobicContact CG1-CD2 4.26Å; V66-F68 HydrophobicContact CG1-CE1 4.09Å; V66-F68 HydrophobicContact CG1-CE2 3.95Å; V66-F68 HydrophobicContact CG1-CG 4.46Å; V66-F68 HydrophobicContact CG1-CZ 3.86Å; V66-N79 WeakPolarHBondContact CA-OD1 3.24Å; V66-V82 HydrophobicContact CG2-CG1 4.13Å
67	K	97.2	Very high	95.8	Very high	104 Å²	104	70.3 Å²	70.3	45%	0.452	36%	0.355	S	S	.	.			trans	-102.3	108.8	172.7	-58.1	-62.1	-170.9	179.1	0	108.3	T70 E75 N79	K67-T70 HydrophobicContact CB-CG2 3.7Å; K67-T70 WeakPolarHBondContact O-CG2 3.45Å; K67-E75 HydrophobicContact CG-CB 4.43Å; K67-N79 PolarHBondContact N-OD1 3.43Å; K67-N79 PolarHBondContact O-ND2 3.12Å
68	F	96.3	Very high	95.9	Very high	11 Å²	11	73.5 Å²	73.5	5%	0.048	37%	0.373	C	S	.	.	S	Bend	trans	-79.8	-36	-173.8	-74.5	-81.5	0	0	0	113.9	A47 Q51 F63 V66 R135 I140	A47-F68 HydrophobicContact CB-CD1 3.9Å; A47-F68 HydrophobicContact CB-CE1 4.38Å; A47-F68 HydrophobicContact CB-CG 4.49Å; Q51-F68 HydrophobicContact CB-CE1 4.1Å; F63-F68 AromaticContact CD1-CE2 3.86Å; F63-F68 HydrophobicContact CD1-CE2 3.86Å; F63-F68 AromaticContact CD1-CZ 3.73Å; F63-F68 HydrophobicContact CD1-CZ 3.73Å; F63-F68 HydrophobicContact CE1-CE2 4.46Å; F63-F68 AromaticContact CE1-CZ 3.91Å; F63-F68 HydrophobicContact CE1-CZ 3.91Å; V66-F68 HydrophobicContact CB-CE2 4.04Å; V66-F68 HydrophobicContact CB-CZ 4.21Å; V66-F68 HydrophobicContact CG1-CD1 4.38Å; V66-F68 HydrophobicContact CG1-CD2 4.26Å; V66-F68 HydrophobicContact CG1-CE1 4.09Å; V66-F68 HydrophobicContact CG1-CE2 3.95Å; V66-F68 HydrophobicContact CG1-CG 4.46Å; V66-F68 HydrophobicContact CG1-CZ 3.86Å; F68-R135 HydrophobicContact CD1-CG 4.32Å; F68-R135 HydrophobicContact CD2-CG 4.36Å; F68-R135 HydrophobicContact CE1-CG 3.93Å; F68-R135 HydrophobicContact CE2-CG 3.99Å; F68-R135 HydrophobicContact CZ-CG 3.76Å; F68-I140 HydrophobicContact CB-CG1 4.36Å; F68-I140 HydrophobicContact CD1-CD1 3.91Å; F68-I140 HydrophobicContact CD1-CG1 4.14Å
69	N	94.8	Very high	96.2	Very high	61 Å²	61	69.8 Å²	69.8	33%	0.326	35%	0.348	S	S	.	.	S	Bend	trans	-114.2	31.5	-177.1	-67.6	-68	0	0	0	113	E138 K139 I141	N69-E138 PolarHBondContact ND2-OE1 3.17Å; N69-K139 PolarHBondContact ND2-O 3.24Å; N69-K139 PolarHBondContact OD1-O 3.16Å; N69-I141 PolarHBondContact OD1-N 3.3Å
70	T	93.6	Very high	96.5	Very high	16 Å²	16	66.2 Å²	66.2	10%	0.098	31%	0.312	C	S	.	.			trans	-71.9	154.1	177.2	173.8	0	0	0	0	112.1	K67 L72 E75 Y76	K67-T70 HydrophobicContact CB-CG2 3.7Å; K67-T70 WeakPolarHBondContact O-CG2 3.45Å; T70-L72 PolarHBondContact OG1-N 2.79Å; T70-E75 WeakPolarHBondContact CB-OE2 3.38Å; T70-E75 HydrophobicContact CG2-CB 3.97Å; T70-E75 VanDerWaalsContact OG1-CB 3.3Å; T70-E75 WeakPolarHBondContact OG1-CB 3.4Å; T70-E75 PolarHBondContact OG1-OE2 3.32Å; T70-Y76 HydrophobicContact CG2-CD1 3.64Å; T70-Y76 HydrophobicContact CG2-CE1 3.65Å
71	K	94.5	Very high	96.8	Very high	184 Å²	184	70.6 Å²	70.6	80%	0.8	33%	0.329	S	S	*	.			trans	-122.5	8.8	171.4	-60.2	-174.5	-179.3	-178.1	0	113	Y76	K71-Y76 WeakPolarHBondContact CA-OH 3.15Å
72	L	96.2	Very high	96.9	Very high	89 Å²	89	71.2 Å²	71.2	47%	0.466	33%	0.333	S	S	.	.			trans	-107.5	123	-170.8	-58.9	175.5	0	0	0	109.6	T70 H74 E75 Y76	T70-L72 PolarHBondContact OG1-N 2.79Å; L72-H74 PolarHBondContact O-N 3.19Å; L72-H74 VanDerWaalsContact O-N 3.15Å; L72-E75 HydrophobicContact CB-CB 4.39Å; L72-E75 HydrophobicContact CB-CG 4.1Å; L72-E75 WeakPolarHBondContact O-CA 3.28Å; L72-E75 WeakPolarHBondContact O-CB 3.39Å; L72-E75 PolarHBondContact O-N 2.76Å; L72-Y76 VanDerWaalsContact O-CD1 3.31Å; L72-Y76 WeakPolarHBondContact O-CD1 3.47Å; L72-Y76 PolarHBondContact O-N 3.06Å
73	E	97.1	Very high	97.1	Very high	82 Å²	82	66.7 Å²	66.7	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-55.6	-37.3	-176.2	-168.5	-178.3	116.8	0	0	112.5	E75 Y76 I77 V102 K103	E73-E75 VanDerWaalsContact C-N 3.28Å; E73-E75 PolarHBondContact O-N 3.13Å; E73-Y76 VanDerWaalsContact O-CB 3.31Å; E73-Y76 WeakPolarHBondContact O-CB 3.48Å; E73-Y76 PolarHBondContact O-N 3.5Å; E73-Y76 VanDerWaalsContact O-N 3.1Å; E73-I77 WeakPolarHBondContact O-CG1 3.29Å; E73-I77 PolarHBondContact O-N 3.47Å; E73-V102 HydrophobicContact CG-CB 4.1Å; E73-V102 HydrophobicContact CG-CG2 4.09Å; E73-K103 IonicContact OE1-NZ 2.72Å; E73-K103 PolarHBondContact OE1-NZ 3.44Å; E73-K103 IonicContact OE2-NZ 3.23Å; E73-K103 PolarHBondContact OE2-NZ 2.96Å
74	H	97.3	Very high	97.2	Very high	112 Å²	112	68 Å²	68	52%	0.519	32%	0.316	S	S	.	.	H	α-helix	trans	-66.7	-27.9	177.6	67.4	-95.5	0	0	0	113.3	L72 N78	L72-H74 PolarHBondContact O-N 3.19Å; L72-H74 VanDerWaalsContact O-N 3.15Å; H74-N78 PolarHBondContact O-N 3.4Å; H74-N78 PolarHBondContact O-ND2 3.45Å
75	E	98.1	Very high	97.3	Very high	40 Å²	40	61.9 Å²	61.9	19%	0.187	30%	0.301	C	S	.	.	H	α-helix	trans	-76.7	-31	172.4	-64	-169.6	119.1	0	0	111.3	K67 T70 L72 E73 N78 N79	K67-E75 HydrophobicContact CG-CB 4.43Å; T70-E75 WeakPolarHBondContact CB-OE2 3.38Å; T70-E75 HydrophobicContact CG2-CB 3.97Å; T70-E75 VanDerWaalsContact OG1-CB 3.3Å; T70-E75 WeakPolarHBondContact OG1-CB 3.4Å; T70-E75 PolarHBondContact OG1-OE2 3.32Å; L72-E75 HydrophobicContact CB-CB 4.39Å; L72-E75 HydrophobicContact CB-CG 4.1Å; L72-E75 WeakPolarHBondContact O-CA 3.28Å; L72-E75 WeakPolarHBondContact O-CB 3.39Å; L72-E75 PolarHBondContact O-N 2.76Å; E73-E75 VanDerWaalsContact C-N 3.28Å; E73-E75 PolarHBondContact O-N 3.13Å; E75-N78 WeakPolarHBondContact O-CB 3.41Å; E75-N78 PolarHBondContact O-N 3.41Å; E75-N79 PolarHBondContact O-N 3.02Å
76	Y	98.6	Very high	97.3	Very high	38 Å²	38	55.9 Å²	55.9	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-44.7	172.1	-55	-10.1	0	0	0	110.9	C44 T70 K71 L72 E73 N78 N79 F80	C44-Y76 WeakPolarHBondContact O-CB 3.4Å; T70-Y76 HydrophobicContact CG2-CD1 3.64Å; T70-Y76 HydrophobicContact CG2-CE1 3.65Å; K71-Y76 WeakPolarHBondContact CA-OH 3.15Å; L72-Y76 VanDerWaalsContact O-CD1 3.31Å; L72-Y76 WeakPolarHBondContact O-CD1 3.47Å; L72-Y76 PolarHBondContact O-N 3.06Å; E73-Y76 VanDerWaalsContact O-CB 3.31Å; E73-Y76 WeakPolarHBondContact O-CB 3.48Å; E73-Y76 PolarHBondContact O-N 3.5Å; E73-Y76 VanDerWaalsContact O-N 3.1Å; Y76-N78 VanDerWaalsContact C-N 3.26Å; Y76-N78 PolarHBondContact O-N 3.19Å; Y76-N79 WeakPolarHBondContact O-CB 3.48Å; Y76-N79 PolarHBondContact O-N 3.28Å; Y76-F80 WeakPolarHBondContact O-CD2 3.26Å; Y76-F80 PolarHBondContact O-N 3.44Å
77	I	98.3	Very high	97.3	Very high	52 Å²	52	55.7 Å²	55.7	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-56.5	-43.8	174	-65.6	170.7	0	0	0	110.3	E73 F80 K81 I98 V102	E73-I77 WeakPolarHBondContact O-CG1 3.29Å; E73-I77 PolarHBondContact O-N 3.47Å; I77-F80 PolarHBondContact O-N 2.97Å; I77-K81 HydrophobicContact CG2-CD 4.34Å; I77-K81 WeakPolarHBondContact O-CG 3.37Å; I77-K81 PolarHBondContact O-N 2.77Å; I77-I98 HydrophobicContact CG1-CG2 4.25Å; I77-I98 HydrophobicContact CG2-CG2 4.36Å; I77-V102 HydrophobicContact CG1-CB 4.47Å; I77-V102 HydrophobicContact CG1-CG1 3.93Å; I77-V102 HydrophobicContact CG1-CG2 4.3Å
78	N	98.4	Very high	97.3	Very high	84 Å²	84	59.4 Å²	59.4	45%	0.449	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-44	177.8	-72.1	-20.6	0	0	0	112.1	H74 E75 Y76 F80 K81 V82	H74-N78 PolarHBondContact O-N 3.4Å; H74-N78 PolarHBondContact O-ND2 3.45Å; E75-N78 WeakPolarHBondContact O-CB 3.41Å; E75-N78 PolarHBondContact O-N 3.41Å; Y76-N78 VanDerWaalsContact C-N 3.26Å; Y76-N78 PolarHBondContact O-N 3.19Å; N78-F80 PolarHBondContact O-N 3.26Å; N78-K81 PolarHBondContact O-N 2.96Å; N78-V82 WeakPolarHBondContact O-CG2 3.48Å; N78-V82 PolarHBondContact O-N 2.9Å
79	N	98.6	Very high	97.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-45.7	174.8	-72.9	-15.9	0	0	0	111.4	S45 C50 V66 K67 E75 Y76 K81 V82 L83	S45-N79 WeakPolarHBondContact O-CB 3.48Å; S45-N79 PolarHBondContact O-ND2 3.17Å; C50-N79 PolarHBondContact SG-O 3.05Å; V66-N79 WeakPolarHBondContact CA-OD1 3.24Å; K67-N79 PolarHBondContact N-OD1 3.43Å; K67-N79 PolarHBondContact O-ND2 3.12Å; E75-N79 PolarHBondContact O-N 3.02Å; Y76-N79 WeakPolarHBondContact O-CB 3.48Å; Y76-N79 PolarHBondContact O-N 3.28Å; N79-K81 VanDerWaalsContact C-N 3.33Å; N79-K81 PolarHBondContact O-N 3.27Å; N79-V82 WeakPolarHBondContact O-CA 3.46Å; N79-V82 WeakPolarHBondContact O-CB 3.38Å; N79-V82 PolarHBondContact O-N 2.8Å; N79-V82 VanDerWaalsContact O-N 3.08Å; N79-L83 PolarHBondContact O-N 2.87Å
80	F	98.7	Very high	97.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-30.3	177	-79.6	-63	0	0	0	113.9	C44 Y49 Y76 I77 N78 V82 L83 Q84 V96 I98 L101 V102	C44-F80 WeakPolarHBondContact O-CE2 3.38Å; Y49-F80 AromaticContact CD2-CE1 3.78Å; Y49-F80 HydrophobicContact CD2-CE1 3.78Å; Y49-F80 HydrophobicContact CD2-CZ 4.23Å; Y49-F80 HydrophobicContact CE2-CE1 4.14Å; Y49-F80 HydrophobicContact CE2-CZ 4.27Å; Y76-F80 WeakPolarHBondContact O-CD2 3.26Å; Y76-F80 PolarHBondContact O-N 3.44Å; I77-F80 PolarHBondContact O-N 2.97Å; N78-F80 PolarHBondContact O-N 3.26Å; F80-V82 VanDerWaalsContact C-N 3.31Å; F80-L83 HydrophobicContact CD1-CD2 3.88Å; F80-L83 HydrophobicContact CE1-CD2 4.21Å; F80-L83 WeakPolarHBondContact O-CB 3.42Å; F80-L83 PolarHBondContact O-N 2.88Å; F80-Q84 PolarHBondContact O-N 3.32Å; F80-V96 HydrophobicContact CD1-CG1 3.73Å; F80-V96 HydrophobicContact CE1-CG1 4.27Å; F80-V96 HydrophobicContact CG-CG1 4.43Å; F80-I98 HydrophobicContact CB-CB 4.44Å; F80-I98 HydrophobicContact CB-CD1 3.7Å; F80-I98 HydrophobicContact CB-CG1 3.78Å; F80-I98 HydrophobicContact CB-CG2 4.03Å; F80-I98 HydrophobicContact CD2-CG2 4.37Å; F80-I98 HydrophobicContact CG-CG1 4.45Å; F80-L101 HydrophobicContact CD1-CD1 4.29Å; F80-L101 HydrophobicContact CE1-CB 4.37Å; F80-L101 HydrophobicContact CE1-CD1 3.59Å; F80-L101 HydrophobicContact CE2-CB 3.74Å; F80-L101 HydrophobicContact CE2-CD1 4.43Å; F80-L101 HydrophobicContact CZ-CB 3.61Å; F80-L101 HydrophobicContact CZ-CD1 3.68Å; F80-L101 HydrophobicContact CZ-CG 4.25Å; F80-V102 HydrophobicContact CD2-CG1 3.57Å; F80-V102 HydrophobicContact CE2-CG1 3.79Å
81	K	98.3	Very high	97.5	Very high	118 Å²	118	61 Å²	61	51%	0.513	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-35.8	170.2	-74.7	178.2	177.9	179.3	0	112	I77 N78 N79 A85 I98	I77-K81 HydrophobicContact CG2-CD 4.34Å; I77-K81 WeakPolarHBondContact O-CG 3.37Å; I77-K81 PolarHBondContact O-N 2.77Å; N78-K81 PolarHBondContact O-N 2.96Å; N79-K81 VanDerWaalsContact C-N 3.33Å; N79-K81 PolarHBondContact O-N 3.27Å; K81-A85 PolarHBondContact O-N 3.48Å; K81-A85 VanDerWaalsContact O-N 3.07Å; K81-I98 HydrophobicContact CG-CD1 4.28Å
82	V	98.5	Very high	97.6	Very high	25 Å²	25	52.9 Å²	52.9	15%	0.152	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-43.8	171.1	175.6	0	0	0	0	110.1	L61 K65 V66 N78 N79 F80 A85 L86	L61-V82 HydrophobicContact CD1-CG1 3.7Å; K65-V82 HydrophobicContact CB-CG2 4.01Å; V66-V82 HydrophobicContact CG2-CG1 4.13Å; N78-V82 WeakPolarHBondContact O-CG2 3.48Å; N78-V82 PolarHBondContact O-N 2.9Å; N79-V82 WeakPolarHBondContact O-CA 3.46Å; N79-V82 WeakPolarHBondContact O-CB 3.38Å; N79-V82 PolarHBondContact O-N 2.8Å; N79-V82 VanDerWaalsContact O-N 3.08Å; F80-V82 VanDerWaalsContact C-N 3.31Å; V82-A85 WeakPolarHBondContact O-CB 3.2Å; V82-A85 PolarHBondContact O-N 3.04Å; V82-L86 HydrophobicContact CG1-CD1 4.42Å; V82-L86 WeakPolarHBondContact O-CG 3.39Å; V82-L86 PolarHBondContact O-N 2.67Å
83	L	98.4	Very high	97.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-48.3	175	-176	66.9	0	0	0	112.4	Y49 V53 N79 F80 A85 L86 F87 V96 F112	Y49-L83 HydrophobicContact CG-CD2 4.29Å; V53-L83 HydrophobicContact CG2-CD1 3.6Å; N79-L83 PolarHBondContact O-N 2.87Å; F80-L83 HydrophobicContact CD1-CD2 3.88Å; F80-L83 HydrophobicContact CE1-CD2 4.21Å; F80-L83 WeakPolarHBondContact O-CB 3.42Å; F80-L83 PolarHBondContact O-N 2.88Å; L83-A85 VanDerWaalsContact C-N 3.26Å; L83-A85 PolarHBondContact O-N 3.16Å; L83-L86 WeakPolarHBondContact O-CB 3.36Å; L83-L86 PolarHBondContact O-N 3.41Å; L83-F87 HydrophobicContact CD1-CD1 4.05Å; L83-F87 HydrophobicContact CD1-CE1 3.59Å; L83-F87 HydrophobicContact CD1-CZ 4.1Å; L83-F87 HydrophobicContact CD2-CZ 4.27Å; L83-F87 HydrophobicContact CG-CD1 4.27Å; L83-F87 HydrophobicContact CG-CE1 3.98Å; L83-F87 HydrophobicContact CG-CZ 4.14Å; L83-F87 PolarHBondContact O-N 3.16Å; L83-V96 HydrophobicContact CD2-CG1 4.3Å; L83-V96 HydrophobicContact CD2-CG2 4.24Å; L83-F112 HydrophobicContact CD2-CE1 4.31Å; L83-F112 HydrophobicContact CD2-CZ 4.2Å
84	Q	97.9	Very high	97.5	Very high	77 Å²	77	51.9 Å²	51.9	36%	0.36	26%	0.263	S	S	.	.	H	α-helix	trans	-57.5	-39.9	176.2	-77.7	-175.9	-32.2	0	0	112.1	F80 L86 F87 K88 V96 I98	F80-Q84 PolarHBondContact O-N 3.32Å; Q84-L86 VanDerWaalsContact C-N 3.33Å; Q84-F87 PolarHBondContact O-N 3.46Å; Q84-K88 WeakPolarHBondContact O-CB 3.33Å; Q84-K88 PolarHBondContact O-N 3.34Å; Q84-V96 HydrophobicContact CG-CB 3.95Å; Q84-V96 HydrophobicContact CG-CG2 4.02Å; Q84-I98 VanDerWaalsContact CD-CD1 3.46Å; Q84-I98 HydrophobicContact CG-CD1 4.19Å
85	A	97.4	Very high	97.5	Very high	63 Å²	63	54.1 Å²	54.1	52%	0.521	27%	0.273	S	S	.	.	H	α-helix	trans	-65.3	-37	176.5	0	0	0	0	0	112.2	K81 V82 L83 K89	K81-A85 PolarHBondContact O-N 3.48Å; K81-A85 VanDerWaalsContact O-N 3.07Å; V82-A85 WeakPolarHBondContact O-CB 3.2Å; V82-A85 PolarHBondContact O-N 3.04Å; L83-A85 VanDerWaalsContact C-N 3.26Å; L83-A85 PolarHBondContact O-N 3.16Å; A85-K89 WeakPolarHBondContact O-CB 3.48Å; A85-K89 PolarHBondContact O-N 3.48Å
86	L	97.5	Very high	97.5	Very high	9 Å²	9	52.4 Å²	52.4	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-45.8	173.2	-68	168	0	0	0	111.5	V53 T60 L61 V82 L83 Q84 K88 K89 H90	V53-L86 HydrophobicContact CB-CD1 4.17Å; V53-L86 HydrophobicContact CG1-CB 3.92Å; V53-L86 HydrophobicContact CG1-CD1 4.05Å; V53-L86 HydrophobicContact CG1-CG 4.45Å; T60-L86 WeakPolarHBondContact O-CD2 3.42Å; L61-L86 HydrophobicContact CD1-CD1 3.77Å; V82-L86 HydrophobicContact CG1-CD1 4.42Å; V82-L86 WeakPolarHBondContact O-CG 3.39Å; V82-L86 PolarHBondContact O-N 2.67Å; L83-L86 WeakPolarHBondContact O-CB 3.36Å; L83-L86 PolarHBondContact O-N 3.41Å; Q84-L86 VanDerWaalsContact C-N 3.33Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.12Å; L86-K89 WeakPolarHBondContact O-CB 3.29Å; L86-K89 PolarHBondContact O-N 3.36Å; L86-H90 PolarHBondContact O-CD2 2.85Å; L86-H90 VanDerWaalsContact O-CD2 3.28Å; L86-H90 PolarHBondContact O-N 3.24Å
87	F	97.8	Very high	97.4	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.022	27%	0.272	C	S	.	.	H	α-helix	trans	-55.6	-49.6	176.2	-82.4	16.5	0	0	0	111.1	V53 L83 Q84 K89 H90 G91 V92 V96 F112 W115 F116	V53-F87 HydrophobicContact CG2-CD1 4.37Å; V53-F87 HydrophobicContact CG2-CE1 3.79Å; L83-F87 HydrophobicContact CD1-CD1 4.05Å; L83-F87 HydrophobicContact CD1-CE1 3.59Å; L83-F87 HydrophobicContact CD1-CZ 4.1Å; L83-F87 HydrophobicContact CD2-CZ 4.27Å; L83-F87 HydrophobicContact CG-CD1 4.27Å; L83-F87 HydrophobicContact CG-CE1 3.98Å; L83-F87 HydrophobicContact CG-CZ 4.14Å; L83-F87 PolarHBondContact O-N 3.16Å; Q84-F87 PolarHBondContact O-N 3.46Å; F87-K89 VanDerWaalsContact C-N 3.29Å; F87-K89 PolarHBondContact O-N 3.06Å; F87-H90 CarbonylContact O-C 3.22Å; F87-H90 PolarHBondContact O-N 2.99Å; F87-G91 PolarHBondContact O-N 3.06Å; F87-V92 HydrophobicContact CB-CB 3.79Å; F87-V92 HydrophobicContact CB-CG1 4.33Å; F87-V92 HydrophobicContact CB-CG2 4.39Å; F87-V92 HydrophobicContact CD1-CB 4.22Å; F87-V92 HydrophobicContact CD1-CG1 4.28Å; F87-V92 HydrophobicContact CD1-CG2 4.2Å; F87-V92 HydrophobicContact CD2-CB 4.17Å; F87-V92 HydrophobicContact CD2-CG1 3.76Å; F87-V92 HydrophobicContact CE2-CG1 4.06Å; F87-V92 HydrophobicContact CG-CB 3.82Å; F87-V92 HydrophobicContact CG-CG1 3.88Å; F87-V92 HydrophobicContact CG-CG2 4.29Å; F87-V92 HydrophobicContact CZ-CG1 4.44Å; F87-V92 PolarHBondContact O-N 3.07Å; F87-V96 HydrophobicContact CD2-CG2 3.6Å; F87-V96 HydrophobicContact CE2-CG2 3.49Å; F87-V96 VanDerWaalsContact CE2-CG2 3.49Å; F87-V96 HydrophobicContact CZ-CG2 4.44Å; F87-F112 HydrophobicContact CE2-CZ 4.31Å; F87-F112 HydrophobicContact CZ-CZ 4.37Å; F87-W115 AromaticContact CE2-CH2 3.9Å; F87-W115 HydrophobicContact CE2-CH2 3.9Å; F87-W115 AromaticContact CE2-CZ3 3.94Å; F87-W115 HydrophobicContact CE2-CZ3 3.94Å; F87-W115 AromaticContact CZ-CH2 3.92Å; F87-W115 HydrophobicContact CZ-CH2 3.92Å; F87-W115 AromaticContact CZ-CZ3 3.81Å; F87-W115 HydrophobicContact CZ-CZ3 3.81Å; F87-F116 HydrophobicContact CE1-CE2 4.12Å; F87-F116 HydrophobicContact CZ-CD2 4.22Å; F87-F116 AromaticContact CZ-CE2 3.97Å; F87-F116 HydrophobicContact CZ-CE2 3.97Å
88	K	96.5	Very high	97.4	Very high	182 Å²	182	51.3 Å²	51.3	79%	0.791	27%	0.265	S	S	*	.	H	α-helix	trans	-59.3	-38.7	175.6	-175.4	174.8	-178.9	175.1	0	112.7	Q84 L86 H90 G91	Q84-K88 WeakPolarHBondContact O-CB 3.33Å; Q84-K88 PolarHBondContact O-N 3.34Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-K88 PolarHBondContact O-N 3.12Å; K88-H90 VanDerWaalsContact C-N 3.31Å; K88-H90 PolarHBondContact O-N 3.22Å; K88-G91 PolarHBondContact O-N 3.3Å
89	K	96.1	Very high	97.3	Very high	88 Å²	88	55.2 Å²	55.2	38%	0.383	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-33.5	179.8	-177.7	177.1	177.5	-176.1	0	112.5	I4 A85 L86 F87	I4-K89 HydrophobicContact CD1-CG 4.07Å; I4-K89 HydrophobicContact CG2-CG 4.07Å; A85-K89 WeakPolarHBondContact O-CB 3.48Å; A85-K89 PolarHBondContact O-N 3.48Å; L86-K89 WeakPolarHBondContact O-CB 3.29Å; L86-K89 PolarHBondContact O-N 3.36Å; F87-K89 VanDerWaalsContact C-N 3.29Å; F87-K89 PolarHBondContact O-N 3.06Å
90	H	96.7	Very high	97.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-101.3	6.4	-178.4	-68.9	-73.1	0	0	0	114.1	P5 A7 F57 T60 L86 F87 K88 V92	P5-H90 PolarHBondContact O-ND1 3.35Å; A7-H90 HydrophobicContact CB-CB 4.19Å; A7-H90 PolarHBondContact N-O 3.37Å; F57-H90 VanDerWaalsContact CB-CE1 3.47Å; F57-H90 WeakPolarHBondContact CB-CE1 3.47Å; F57-H90 AromaticContact CD1-ND1 3.93Å; F57-H90 HydrophobicContact CD2-CB 4.44Å; F57-H90 AromaticContact CD2-CD2 3.83Å; F57-H90 AromaticContact CD2-CE1 3.95Å; F57-H90 AromaticContact CD2-CG 3.77Å; F57-H90 AromaticContact CD2-ND1 3.84Å; F57-H90 HydrophobicContact CE2-CB 4.22Å; F57-H90 AromaticContact CG-CE1 3.55Å; F57-H90 AromaticContact CG-ND1 3.67Å; F57-H90 AromaticContact CG-NE2 3.94Å; T60-H90 WeakPolarHBondContact CG2-NE2 3.31Å; L86-H90 PolarHBondContact O-CD2 2.85Å; L86-H90 VanDerWaalsContact O-CD2 3.28Å; L86-H90 PolarHBondContact O-N 3.24Å; F87-H90 CarbonylContact O-C 3.22Å; F87-H90 PolarHBondContact O-N 2.99Å; K88-H90 VanDerWaalsContact C-N 3.31Å; K88-H90 PolarHBondContact O-N 3.22Å; H90-V92 VanDerWaalsContact C-N 3.34Å; H90-V92 HydrophobicContact CB-CG2 4.33Å; H90-V92 PolarHBondContact O-N 2.82Å
91	G	96.4	Very high	97.3	Very high	31 Å²	31	61.1 Å²	61.1	32%	0.32	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	26.6	178.1	0	0	0	0	0	114.1	N9 F87 K88 D93	N9-G91 PolarHBondContact ND2-O 2.77Å; F87-G91 PolarHBondContact O-N 3.06Å; K88-G91 PolarHBondContact O-N 3.3Å; G91-D93 PolarHBondContact O-N 2.85Å
92	V	97.4	Very high	97.3	Very high	15 Å²	15	55.8 Å²	55.8	9%	0.091	28%	0.284	C	S	.	.			trans	-75.9	121.5	175.7	-176.5	0	0	0	0	109.4	A7 N9 F87 H90 K94 W115 F119	A7-V92 HydrophobicContact CB-CG2 3.75Å; N9-V92 VanDerWaalsContact OD1-CA 3.25Å; N9-V92 WeakPolarHBondContact OD1-CA 3.44Å; F87-V92 HydrophobicContact CB-CB 3.79Å; F87-V92 HydrophobicContact CB-CG1 4.33Å; F87-V92 HydrophobicContact CB-CG2 4.39Å; F87-V92 HydrophobicContact CD1-CB 4.22Å; F87-V92 HydrophobicContact CD1-CG1 4.28Å; F87-V92 HydrophobicContact CD1-CG2 4.2Å; F87-V92 HydrophobicContact CD2-CB 4.17Å; F87-V92 HydrophobicContact CD2-CG1 3.76Å; F87-V92 HydrophobicContact CE2-CG1 4.06Å; F87-V92 HydrophobicContact CG-CB 3.82Å; F87-V92 HydrophobicContact CG-CG1 3.88Å; F87-V92 HydrophobicContact CG-CG2 4.29Å; F87-V92 HydrophobicContact CZ-CG1 4.44Å; F87-V92 PolarHBondContact O-N 3.07Å; H90-V92 VanDerWaalsContact C-N 3.34Å; H90-V92 HydrophobicContact CB-CG2 4.33Å; H90-V92 PolarHBondContact O-N 2.82Å; V92-K94 HydrophobicContact CG1-CB 4.12Å; V92-W115 HydrophobicContact CG1-CH2 3.93Å; V92-W115 HydrophobicContact CG1-CZ2 4.25Å; V92-F119 HydrophobicContact CG1-CE2 4.11Å; V92-F119 HydrophobicContact CG1-CZ 4.39Å; V92-F119 HydrophobicContact CG2-CE2 3.73Å; V92-F119 HydrophobicContact CG2-CZ 3.53Å
93	D	94.9	Very high	97.2	Very high	92 Å²	92	60.2 Å²	60.2	49%	0.492	30%	0.301	S	S	.	.			trans	-86.3	-11.4	-174.3	63	12.7	0	0	0	114.3	N9 H11 G91 E95	N9-D93 VanDerWaalsContact CG-CG 3.4Å; N9-D93 PolarHBondContact OD1-N 2.98Å; N9-D93 PolarHBondContact OD1-OD1 2.99Å; N9-D93 VanDerWaalsContact OD1-OD1 3.13Å; H11-D93 IonicContact CE1-OD2 3.32Å; H11-D93 PolarHBondContact CE1-OD2 2.49Å; H11-D93 VanDerWaalsContact CE1-OD2 3.32Å; G91-D93 PolarHBondContact O-N 2.85Å; D93-E95 PolarHBondContact O-N 3.21Å
94	K	96.4	Very high	97.1	Very high	58 Å²	58	61.4 Å²	61.4	25%	0.252	31%	0.313	S	S	.	.			trans	-67.4	123	178.9	-178.9	72.4	171	-160.2	0	112.1	V92 F112 W115	V92-K94 HydrophobicContact CG1-CB 4.12Å; K94-F112 HydrophobicContact CG-CE2 4.46Å; K94-W115 HydrophobicContact CB-CD2 4.38Å; K94-W115 HydrophobicContact CB-CH2 3.41Å; K94-W115 VanDerWaalsContact CB-CH2 3.41Å; K94-W115 HydrophobicContact CB-CZ2 3.14Å; K94-W115 HydrophobicContact CB-CZ3 4.12Å; K94-W115 HydrophobicContact CD-CD2 3.81Å; K94-W115 HydrophobicContact CD-CE3 4.35Å; K94-W115 HydrophobicContact CD-CG 4.16Å; K94-W115 HydrophobicContact CD-CZ2 4.08Å; K94-W115 HydrophobicContact CG-CD2 3.71Å; K94-W115 VanDerWaalsContact CG-CE2 3.47Å; K94-W115 HydrophobicContact CG-CE3 3.82Å; K94-W115 HydrophobicContact CG-CH2 3.58Å; K94-W115 HydrophobicContact CG-CZ2 3.44Å; K94-W115 VanDerWaalsContact CG-CZ2 3.44Å; K94-W115 HydrophobicContact CG-CZ3 3.75Å
95	E	96.2	Very high	97	Very high	158 Å²	158	64 Å²	64	74%	0.738	32%	0.323	S	S	*	.			trans	-68.6	131.5	167.3	-171.6	-179.8	176.6	0	0	111.1	D93 P97	D93-E95 PolarHBondContact O-N 3.21Å; E95-P97 WeakPolarHBondContact O-CD 3.45Å
96	V	97.6	Very high	96.9	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.024	30%	0.304	C	S	.	.			trans	-90.9	111	173.5	-177.2	0	0	0	0	108.7	F80 L83 Q84 F87 I98 L101 F112	F80-V96 HydrophobicContact CD1-CG1 3.73Å; F80-V96 HydrophobicContact CE1-CG1 4.27Å; F80-V96 HydrophobicContact CG-CG1 4.43Å; L83-V96 HydrophobicContact CD2-CG1 4.3Å; L83-V96 HydrophobicContact CD2-CG2 4.24Å; Q84-V96 HydrophobicContact CG-CB 3.95Å; Q84-V96 HydrophobicContact CG-CG2 4.02Å; F87-V96 HydrophobicContact CD2-CG2 3.6Å; F87-V96 HydrophobicContact CE2-CG2 3.49Å; F87-V96 VanDerWaalsContact CE2-CG2 3.49Å; F87-V96 HydrophobicContact CZ-CG2 4.44Å; V96-I98 HydrophobicContact CB-CG1 4.47Å; V96-I98 HydrophobicContact CG1-CG1 4.04Å; V96-I98 PolarHBondContact O-N 3.33Å; V96-L101 HydrophobicContact CG1-CD1 3.93Å; V96-F112 HydrophobicContact CB-CE2 4.49Å; V96-F112 HydrophobicContact CG1-CE2 4.34Å; V96-F112 HydrophobicContact CG1-CZ 4.13Å; V96-F112 HydrophobicContact CG2-CE2 4.26Å; V96-F112 HydrophobicContact CG2-CZ 4.1Å
97	P	97.3	Very high	96.6	Very high	44 Å²	44	63.9 Å²	63.9	29%	0.286	31%	0.311	S	S	.	.			trans	-78.5	69	-177.7	32	-35	0	0	0	111.5	E95 E99 K100 L101	E95-P97 WeakPolarHBondContact O-CD 3.45Å; P97-E99 VanDerWaalsContact C-N 3.32Å; P97-E99 PolarHBondContact O-N 3.36Å; P97-K100 HydrophobicContact CB-CB 4.41Å; P97-K100 HydrophobicContact CB-CD 4.38Å; P97-K100 PolarHBondContact O-N 3.31Å; P97-L101 HydrophobicContact CG-CD1 4.18Å; P97-L101 HydrophobicContact CG-CG 4.11Å; P97-L101 WeakPolarHBondContact O-CG 3.45Å; P97-L101 PolarHBondContact O-N 3.5Å
98	I	98.2	Very high	96.5	Very high	24 Å²	24	65.2 Å²	65.2	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-50.2	-50.3	-171.3	-58.4	-169.8	0	0	0	111.8	I77 F80 K81 Q84 V96 K100 L101 V102	I77-I98 HydrophobicContact CG1-CG2 4.25Å; I77-I98 HydrophobicContact CG2-CG2 4.36Å; F80-I98 HydrophobicContact CB-CB 4.44Å; F80-I98 HydrophobicContact CB-CD1 3.7Å; F80-I98 HydrophobicContact CB-CG1 3.78Å; F80-I98 HydrophobicContact CB-CG2 4.03Å; F80-I98 HydrophobicContact CD2-CG2 4.37Å; F80-I98 HydrophobicContact CG-CG1 4.45Å; K81-I98 HydrophobicContact CG-CD1 4.28Å; Q84-I98 VanDerWaalsContact CD-CD1 3.46Å; Q84-I98 HydrophobicContact CG-CD1 4.19Å; V96-I98 HydrophobicContact CB-CG1 4.47Å; V96-I98 HydrophobicContact CG1-CG1 4.04Å; V96-I98 PolarHBondContact O-N 3.33Å; I98-K100 PolarHBondContact O-N 3.48Å; I98-K100 VanDerWaalsContact O-N 3.16Å; I98-L101 PolarHBondContact O-N 2.96Å; I98-V102 HydrophobicContact CG2-CG1 3.91Å; I98-V102 WeakPolarHBondContact O-CG1 3.18Å; I98-V102 VanDerWaalsContact O-CG2 3.3Å; I98-V102 WeakPolarHBondContact O-CG2 3.48Å; I98-V102 PolarHBondContact O-N 2.98Å
99	E	97.4	Very high	96.6	Very high	166 Å²	166	56.6 Å²	56.6	78%	0.776	28%	0.281	S	S	*	.	H	α-helix	trans	-59.2	-30.4	-175.6	-63.7	-174	176	0	0	113.2	P97 K103	P97-E99 VanDerWaalsContact C-N 3.32Å; P97-E99 PolarHBondContact O-N 3.36Å; E99-K103 VanDerWaalsContact O-CG 3.26Å; E99-K103 WeakPolarHBondContact O-CG 3.27Å
100	K	97.6	Very high	96.6	Very high	124 Å²	124	53.7 Å²	53.7	54%	0.539	27%	0.268	S	S	.	.	H	α-helix	trans	-82.9	-45.8	177.8	-60.4	-172.6	179.3	-176.9	0	111.1	P97 I98 V102 K103 D108	P97-K100 HydrophobicContact CB-CB 4.41Å; P97-K100 HydrophobicContact CB-CD 4.38Å; P97-K100 PolarHBondContact O-N 3.31Å; I98-K100 PolarHBondContact O-N 3.48Å; I98-K100 VanDerWaalsContact O-N 3.16Å; K100-V102 PolarHBondContact O-N 2.92Å; K100-K103 PolarHBondContact O-N 3.23Å; K100-D108 HydrophobicContact CB-CB 4.04Å; K100-D108 WeakPolarHBondContact CD-OD1 3.25Å
101	L	98.5	Very high	96.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-46.7	-176.1	-65.9	175.4	0	0	0	112.1	C44 F80 V96 P97 I98 K103 G104 D108 N109 F112	C44-L101 WeakPolarHBondContact CB-O 3.46Å; F80-L101 HydrophobicContact CD1-CD1 4.29Å; F80-L101 HydrophobicContact CE1-CB 4.37Å; F80-L101 HydrophobicContact CE1-CD1 3.59Å; F80-L101 HydrophobicContact CE2-CB 3.74Å; F80-L101 HydrophobicContact CE2-CD1 4.43Å; F80-L101 HydrophobicContact CZ-CB 3.61Å; F80-L101 HydrophobicContact CZ-CD1 3.68Å; F80-L101 HydrophobicContact CZ-CG 4.25Å; V96-L101 HydrophobicContact CG1-CD1 3.93Å; P97-L101 HydrophobicContact CG-CD1 4.18Å; P97-L101 HydrophobicContact CG-CG 4.11Å; P97-L101 WeakPolarHBondContact O-CG 3.45Å; P97-L101 PolarHBondContact O-N 3.5Å; I98-L101 PolarHBondContact O-N 2.96Å; L101-K103 PolarHBondContact O-N 3.36Å; L101-K103 VanDerWaalsContact O-N 3.1Å; L101-G104 PolarHBondContact O-N 3.36Å; L101-D108 HydrophobicContact CD2-CB 4.44Å; L101-D108 WeakPolarHBondContact CD2-O 3.4Å; L101-N109 HydrophobicContact CD2-CB 4.45Å; L101-N109 PolarHBondContact O-ND2 2.94Å; L101-N109 VanDerWaalsContact O-ND2 3.07Å; L101-F112 HydrophobicContact CD1-CB 4.41Å; L101-F112 HydrophobicContact CD1-CD1 3.88Å; L101-F112 HydrophobicContact CD1-CD2 4.23Å; L101-F112 HydrophobicContact CD1-CE1 4.2Å; L101-F112 HydrophobicContact CD1-CG 3.91Å; L101-F112 HydrophobicContact CD2-CB 3.72Å; L101-F112 HydrophobicContact CD2-CD1 4.41Å; L101-F112 HydrophobicContact CD2-CG 4.13Å
102	V	98.1	Very high	96.5	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.036	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.4	-176.4	-60.7	0	0	0	0	113.7	E73 I77 F80 I98 K100 G104	E73-V102 HydrophobicContact CG-CB 4.1Å; E73-V102 HydrophobicContact CG-CG2 4.09Å; I77-V102 HydrophobicContact CG1-CB 4.47Å; I77-V102 HydrophobicContact CG1-CG1 3.93Å; I77-V102 HydrophobicContact CG1-CG2 4.3Å; F80-V102 HydrophobicContact CD2-CG1 3.57Å; F80-V102 HydrophobicContact CE2-CG1 3.79Å; I98-V102 HydrophobicContact CG2-CG1 3.91Å; I98-V102 WeakPolarHBondContact O-CG1 3.18Å; I98-V102 VanDerWaalsContact O-CG2 3.3Å; I98-V102 WeakPolarHBondContact O-CG2 3.48Å; I98-V102 PolarHBondContact O-N 2.98Å; K100-V102 PolarHBondContact O-N 2.92Å; V102-G104 PolarHBondContact O-N 2.99Å
103	K	97.5	Very high	96.5	Very high	118 Å²	118	57.1 Å²	57.1	51%	0.513	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.2	174.3	-60.8	-61	176.9	-163	0	113.3	E73 E99 K100 L101 K105	E73-K103 IonicContact OE1-NZ 2.72Å; E73-K103 PolarHBondContact OE1-NZ 3.44Å; E73-K103 IonicContact OE2-NZ 3.23Å; E73-K103 PolarHBondContact OE2-NZ 2.96Å; E99-K103 VanDerWaalsContact O-CG 3.26Å; E99-K103 WeakPolarHBondContact O-CG 3.27Å; K100-K103 PolarHBondContact O-N 3.23Å; L101-K103 PolarHBondContact O-N 3.36Å; L101-K103 VanDerWaalsContact O-N 3.1Å; K103-K105 HydrophobicContact CB-CG 4.32Å; K103-K105 PolarHBondContact O-N 3.5Å
104	G	96.2	Very high	96.4	Very high	24 Å²	24	53.4 Å²	53.4	25%	0.247	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	26.6	176.5	0	0	0	0	0	113.2	E41 L101 V102	E41-G104 WeakPolarHBondContact CB-O 3.43Å; E41-G104 VanDerWaalsContact CG-O 3.24Å; E41-G104 WeakPolarHBondContact CG-O 3.17Å; L101-G104 PolarHBondContact O-N 3.36Å; V102-G104 PolarHBondContact O-N 2.99Å
105	K	95.2	Very high	96.4	Very high	131 Å²	131	50.8 Å²	50.8	57%	0.57	24%	0.243	S	C	*	.			trans	-76.2	134.2	174.1	-68.4	-171.5	176.5	-173.5	0	109.9	K103 Q107 D108 N109	K103-K105 HydrophobicContact CB-CG 4.32Å; K103-K105 PolarHBondContact O-N 3.5Å; K105-Q107 PolarHBondContact O-N 2.98Å; K105-D108 WeakPolarHBondContact CB-OD2 3.33Å; K105-N109 WeakPolarHBondContact O-CB 3.42Å; K105-N109 PolarHBondContact O-N 3.42Å; K105-N109 PolarHBondContact O-ND2 3.17Å
106	F	94.8	Very high	96.5	Very high	30 Å²	30	43.3 Å²	43.3	13%	0.132	21%	0.208	C	C	.	.	H	α-helix	trans	-56.3	-52.4	-179	175.4	-92.9	0	0	0	112	R22 V40 E41 D108 N109 F110 L212	R22-F106 HydrophobicContact CB-CE2 4.48Å; R22-F106 HydrophobicContact CB-CZ 4.39Å; V40-F106 HydrophobicContact CB-CD2 4.09Å; V40-F106 HydrophobicContact CB-CE2 3.97Å; V40-F106 HydrophobicContact CG2-CE2 3.9Å; E41-F106 HydrophobicContact CG-CB 4.06Å; F106-D108 PolarHBondContact O-N 2.84Å; F106-N109 PolarHBondContact O-N 2.87Å; F106-F110 HydrophobicContact CD1-CB 4.41Å; F106-F110 HydrophobicContact CE1-CB 3.99Å; F106-F110 HydrophobicContact CE1-CD1 4.06Å; F106-F110 HydrophobicContact CE1-CG 4.06Å; F106-F110 HydrophobicContact CE2-CB 4.3Å; F106-F110 HydrophobicContact CE2-CD2 4.47Å; F106-F110 HydrophobicContact CE2-CG 4.38Å; F106-F110 HydrophobicContact CZ-CB 3.92Å; F106-F110 HydrophobicContact CZ-CD1 4.02Å; F106-F110 HydrophobicContact CZ-CD2 4.07Å; F106-F110 AromaticContact CZ-CG 3.74Å; F106-F110 HydrophobicContact CZ-CG 3.74Å; F106-F110 WeakPolarHBondContact O-CB 3.29Å; F106-F110 PolarHBondContact O-N 2.71Å; F106-L212 HydrophobicContact CB-CD1 4.5Å; F106-L212 HydrophobicContact CD1-CD1 3.69Å; F106-L212 HydrophobicContact CD1-CD2 3.79Å; F106-L212 HydrophobicContact CD1-CG 3.95Å; F106-L212 HydrophobicContact CD2-CD2 4.35Å; F106-L212 HydrophobicContact CE1-CD1 4.16Å; F106-L212 HydrophobicContact CE1-CD2 3.43Å; F106-L212 VanDerWaalsContact CE1-CD2 3.43Å; F106-L212 HydrophobicContact CE1-CG 3.88Å; F106-L212 HydrophobicContact CE2-CD2 4.03Å; F106-L212 HydrophobicContact CG-CD1 4.1Å; F106-L212 HydrophobicContact CG-CD2 4.25Å; F106-L212 HydrophobicContact CZ-CD2 3.57Å
107	Q	92.4	Very high	96.4	Very high	41 Å²	41	44.3 Å²	44.3	19%	0.192	21%	0.212	C	C	.	.	H	α-helix	trans	-55.2	-54.5	-173.9	-168.1	65.9	22.5	0	0	112.2	K105 N109 F110 E111	K105-Q107 PolarHBondContact O-N 2.98Å; Q107-N109 PolarHBondContact O-N 2.6Å; Q107-F110 PolarHBondContact O-N 3.41Å; Q107-E111 WeakPolarHBondContact O-CB 3.21Å; Q107-E111 PolarHBondContact O-N 3.32Å
108	D	96	Very high	96.2	Very high	33 Å²	33	44 Å²	44	18%	0.176	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-42.1	-177.5	-59.8	-68.3	0	0	0	111.9	K100 L101 K105 F106 F112	K100-D108 HydrophobicContact CB-CB 4.04Å; K100-D108 WeakPolarHBondContact CD-OD1 3.25Å; L101-D108 HydrophobicContact CD2-CB 4.44Å; L101-D108 WeakPolarHBondContact CD2-O 3.4Å; K105-D108 WeakPolarHBondContact CB-OD2 3.33Å; F106-D108 PolarHBondContact O-N 2.84Å; D108-F112 WeakPolarHBondContact O-CB 3.44Å; D108-F112 PolarHBondContact O-N 2.98Å; D108-F112 VanDerWaalsContact O-N 3.16Å
109	N	97.7	Very high	96.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.4	-38.4	179.5	-78.3	-88.2	0	0	0	111.7	V40 C44 L101 K105 F106 Q107 L113	V40-N109 HydrophobicContact CG1-CB 4.04Å; C44-N109 WeakPolarHBondContact CA-OD1 3.28Å; C44-N109 PolarHBondContact N-OD1 3.08Å; L101-N109 HydrophobicContact CD2-CB 4.45Å; L101-N109 PolarHBondContact O-ND2 2.94Å; L101-N109 VanDerWaalsContact O-ND2 3.07Å; K105-N109 WeakPolarHBondContact O-CB 3.42Å; K105-N109 PolarHBondContact O-N 3.42Å; K105-N109 PolarHBondContact O-ND2 3.17Å; F106-N109 PolarHBondContact O-N 2.87Å; Q107-N109 PolarHBondContact O-N 2.6Å; N109-L113 WeakPolarHBondContact O-CB 3.47Å; N109-L113 PolarHBondContact O-N 3.34Å
110	F	95.6	Very high	96.1	Very high	28 Å²	28	35.3 Å²	35.3	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-69.2	-44.7	179.4	-173	-118.9	0	0	0	111.7	R22 I25 V40 F106 Q107 F112 L113 Q114	R22-F110 HydrophobicContact CB-CE2 4.14Å; I25-F110 HydrophobicContact CG2-CD2 4.39Å; I25-F110 HydrophobicContact CG2-CE2 3.91Å; V40-F110 HydrophobicContact CG1-CB 3.97Å; V40-F110 HydrophobicContact CG1-CD2 4.22Å; V40-F110 HydrophobicContact CG2-CD2 4.07Å; F106-F110 HydrophobicContact CD1-CB 4.41Å; F106-F110 HydrophobicContact CE1-CB 3.99Å; F106-F110 HydrophobicContact CE1-CD1 4.06Å; F106-F110 HydrophobicContact CE1-CG 4.06Å; F106-F110 HydrophobicContact CE2-CB 4.3Å; F106-F110 HydrophobicContact CE2-CD2 4.47Å; F106-F110 HydrophobicContact CE2-CG 4.38Å; F106-F110 HydrophobicContact CZ-CB 3.92Å; F106-F110 HydrophobicContact CZ-CD1 4.02Å; F106-F110 HydrophobicContact CZ-CD2 4.07Å; F106-F110 AromaticContact CZ-CG 3.74Å; F106-F110 HydrophobicContact CZ-CG 3.74Å; F106-F110 WeakPolarHBondContact O-CB 3.29Å; F106-F110 PolarHBondContact O-N 2.71Å; Q107-F110 PolarHBondContact O-N 3.41Å; F110-F112 PolarHBondContact O-N 3.36Å; F110-L113 PolarHBondContact O-N 2.81Å; F110-Q114 HydrophobicContact CE1-CG 4.35Å; F110-Q114 HydrophobicContact CE2-CG 4.43Å; F110-Q114 HydrophobicContact CZ-CG 4.28Å; F110-Q114 WeakPolarHBondContact O-CG 3.21Å; F110-Q114 PolarHBondContact O-N 3.44Å
111	E	94	Very high	96	Very high	114 Å²	114	33.5 Å²	33.5	53%	0.533	16%	0.16	S	C	.	.	H	α-helix	trans	-58.7	-47.6	175	-174.6	-172.9	171.1	0	0	111.4	Q107 L113 Q114 W115	Q107-E111 WeakPolarHBondContact O-CB 3.21Å; Q107-E111 PolarHBondContact O-N 3.32Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.18Å; E111-Q114 PolarHBondContact O-N 3.28Å; E111-W115 PolarHBondContact O-N 2.94Å; E111-W115 VanDerWaalsContact O-N 3.14Å
112	F	96.8	Very high	95.8	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-39.3	178.2	-173.2	-101.5	0	0	0	111.9	Y49 L83 F87 K94 V96 L101 D108 F110 W115 F116	Y49-F112 HydrophobicContact CD1-CD1 4.48Å; Y49-F112 HydrophobicContact CD1-CE1 4.04Å; Y49-F112 HydrophobicContact CD2-CE1 4.15Å; Y49-F112 AromaticContact CE1-CD1 3.91Å; Y49-F112 HydrophobicContact CE1-CD1 3.91Å; Y49-F112 AromaticContact CE1-CE1 3.93Å; Y49-F112 HydrophobicContact CE1-CE1 3.93Å; Y49-F112 AromaticContact CE2-CD1 3.96Å; Y49-F112 HydrophobicContact CE2-CD1 3.96Å; Y49-F112 HydrophobicContact CE2-CE1 4.05Å; Y49-F112 HydrophobicContact CG-CE1 4.15Å; Y49-F112 AromaticContact CZ-CD1 3.62Å; Y49-F112 AromaticContact CZ-CE1 3.94Å; L83-F112 HydrophobicContact CD2-CE1 4.31Å; L83-F112 HydrophobicContact CD2-CZ 4.2Å; F87-F112 HydrophobicContact CE2-CZ 4.31Å; F87-F112 HydrophobicContact CZ-CZ 4.37Å; K94-F112 HydrophobicContact CG-CE2 4.46Å; V96-F112 HydrophobicContact CB-CE2 4.49Å; V96-F112 HydrophobicContact CG1-CE2 4.34Å; V96-F112 HydrophobicContact CG1-CZ 4.13Å; V96-F112 HydrophobicContact CG2-CE2 4.26Å; V96-F112 HydrophobicContact CG2-CZ 4.1Å; L101-F112 HydrophobicContact CD1-CB 4.41Å; L101-F112 HydrophobicContact CD1-CD1 3.88Å; L101-F112 HydrophobicContact CD1-CD2 4.23Å; L101-F112 HydrophobicContact CD1-CE1 4.2Å; L101-F112 HydrophobicContact CD1-CG 3.91Å; L101-F112 HydrophobicContact CD2-CB 3.72Å; L101-F112 HydrophobicContact CD2-CD1 4.41Å; L101-F112 HydrophobicContact CD2-CG 4.13Å; D108-F112 WeakPolarHBondContact O-CB 3.44Å; D108-F112 PolarHBondContact O-N 2.98Å; D108-F112 VanDerWaalsContact O-N 3.16Å; F110-F112 PolarHBondContact O-N 3.36Å; F112-W115 HydrophobicContact CD2-CE3 4.42Å; F112-W115 HydrophobicContact CE2-CE3 4.09Å; F112-W115 HydrophobicContact CE2-CZ3 4.2Å; F112-W115 HydrophobicContact CZ-CE3 4.43Å; F112-W115 HydrophobicContact CZ-CZ3 4.25Å; F112-W115 PolarHBondContact O-N 3.16Å; F112-F116 HydrophobicContact CE1-CD2 4.16Å; F112-F116 HydrophobicContact CZ-CD2 4.41Å; F112-F116 VanDerWaalsContact O-CB 3.29Å; F112-F116 WeakPolarHBondContact O-CB 3.36Å; F112-F116 PolarHBondContact O-N 2.95Å
113	L	97.3	Very high	95.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-39.6	177	-174.4	59	0	0	0	112.7	I25 I26 W28 V29 V40 L43 Y49 N109 F110 E111 F116 K117	I25-L113 HydrophobicContact CB-CD2 4.37Å; I25-L113 HydrophobicContact CD1-CB 4.37Å; I25-L113 HydrophobicContact CD1-CD2 4.04Å; I25-L113 HydrophobicContact CD1-CG 3.63Å; I25-L113 HydrophobicContact CG1-CD2 3.85Å; I25-L113 HydrophobicContact CG1-CG 3.83Å; I25-L113 HydrophobicContact CG2-CD2 3.7Å; I26-L113 HydrophobicContact CD1-CD2 4.49Å; W28-L113 HydrophobicContact CZ3-CD1 3.98Å; V29-L113 HydrophobicContact CG2-CD1 4Å; V40-L113 HydrophobicContact CG1-CD2 4.15Å; L43-L113 HydrophobicContact CD2-CD1 3.59Å; L43-L113 HydrophobicContact CD2-CD2 3.89Å; L43-L113 HydrophobicContact CD2-CG 4.29Å; Y49-L113 HydrophobicContact CE1-CD1 3.76Å; N109-L113 WeakPolarHBondContact O-CB 3.47Å; N109-L113 PolarHBondContact O-N 3.34Å; F110-L113 PolarHBondContact O-N 2.81Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.18Å; L113-F116 PolarHBondContact O-N 3.36Å; L113-K117 WeakPolarHBondContact O-CB 3.33Å; L113-K117 PolarHBondContact O-N 2.91Å
114	Q	94.4	Very high	95.8	Very high	14 Å²	14	36 Å²	36	7%	0.065	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-48.4	174.3	-73.2	-69.7	-10.2	0	0	111.5	L20 I25 F110 E111 F116 K117 R118	L20-Q114 PolarHBondContact O-NE2 3.41Å; I25-Q114 HydrophobicContact CD1-CG 4.32Å; F110-Q114 HydrophobicContact CE1-CG 4.35Å; F110-Q114 HydrophobicContact CE2-CG 4.43Å; F110-Q114 HydrophobicContact CZ-CG 4.28Å; F110-Q114 WeakPolarHBondContact O-CG 3.21Å; F110-Q114 PolarHBondContact O-N 3.44Å; E111-Q114 PolarHBondContact O-N 3.28Å; Q114-F116 VanDerWaalsContact C-N 3.3Å; Q114-F116 PolarHBondContact O-N 3.46Å; Q114-K117 PolarHBondContact O-N 3.25Å; Q114-R118 PolarHBondContact O-N 3.29Å
115	W	96	Very high	95.7	Very high	3 Å²	3	41 Å²	41	1%	0.011	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-45.1	174.2	172.1	85.1	0	0	0	111	V10 F87 V92 K94 E111 F112 K117 R118 F119	V10-W115 HydrophobicContact CG2-CZ2 4.27Å; V10-W115 PolarHBondContact O-NE1 3.14Å; F87-W115 AromaticContact CE2-CH2 3.9Å; F87-W115 HydrophobicContact CE2-CH2 3.9Å; F87-W115 AromaticContact CE2-CZ3 3.94Å; F87-W115 HydrophobicContact CE2-CZ3 3.94Å; F87-W115 AromaticContact CZ-CH2 3.92Å; F87-W115 HydrophobicContact CZ-CH2 3.92Å; F87-W115 AromaticContact CZ-CZ3 3.81Å; F87-W115 HydrophobicContact CZ-CZ3 3.81Å; V92-W115 HydrophobicContact CG1-CH2 3.93Å; V92-W115 HydrophobicContact CG1-CZ2 4.25Å; K94-W115 HydrophobicContact CB-CD2 4.38Å; K94-W115 HydrophobicContact CB-CH2 3.41Å; K94-W115 VanDerWaalsContact CB-CH2 3.41Å; K94-W115 HydrophobicContact CB-CZ2 3.14Å; K94-W115 HydrophobicContact CB-CZ3 4.12Å; K94-W115 HydrophobicContact CD-CD2 3.81Å; K94-W115 HydrophobicContact CD-CE3 4.35Å; K94-W115 HydrophobicContact CD-CG 4.16Å; K94-W115 HydrophobicContact CD-CZ2 4.08Å; K94-W115 HydrophobicContact CG-CD2 3.71Å; K94-W115 VanDerWaalsContact CG-CE2 3.47Å; K94-W115 HydrophobicContact CG-CE3 3.82Å; K94-W115 HydrophobicContact CG-CH2 3.58Å; K94-W115 HydrophobicContact CG-CZ2 3.44Å; K94-W115 VanDerWaalsContact CG-CZ2 3.44Å; K94-W115 HydrophobicContact CG-CZ3 3.75Å; E111-W115 PolarHBondContact O-N 2.94Å; E111-W115 VanDerWaalsContact O-N 3.14Å; F112-W115 HydrophobicContact CD2-CE3 4.42Å; F112-W115 HydrophobicContact CE2-CE3 4.09Å; F112-W115 HydrophobicContact CE2-CZ3 4.2Å; F112-W115 HydrophobicContact CZ-CE3 4.43Å; F112-W115 HydrophobicContact CZ-CZ3 4.25Å; F112-W115 PolarHBondContact O-N 3.16Å; W115-K117 VanDerWaalsContact C-N 3.32Å; W115-K117 PolarHBondContact O-N 3.42Å; W115-R118 PolarHBondContact O-N 2.86Å; W115-F119 HydrophobicContact CH2-CB 3.98Å; W115-F119 HydrophobicContact CH2-CD1 4.29Å; W115-F119 HydrophobicContact CH2-CD2 4.16Å; W115-F119 AromaticContact CH2-CG 3.87Å; W115-F119 HydrophobicContact CH2-CG 3.87Å; W115-F119 HydrophobicContact CZ2-CB 4Å; W115-F119 HydrophobicContact CZ2-CD2 4.16Å; W115-F119 HydrophobicContact CZ2-CG 4.13Å; W115-F119 HydrophobicContact CZ3-CB 4.33Å; W115-F119 HydrophobicContact CZ3-CG 4.49Å; W115-F119 PolarHBondContact O-N 3.46Å
116	F	97.4	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-37.3	-178.2	-165.5	-76.1	0	0	0	111.9	W28 Y49 L52 V53 F87 F112 L113 Q114 F119 F120	W28-F116 HydrophobicContact CH2-CD1 4.26Å; Y49-F116 HydrophobicContact CD1-CB 4.36Å; Y49-F116 HydrophobicContact CD1-CD1 4.06Å; Y49-F116 AromaticContact CD1-CD2 3.53Å; Y49-F116 HydrophobicContact CD1-CD2 3.53Å; Y49-F116 HydrophobicContact CD1-CE1 4.28Å; Y49-F116 AromaticContact CD1-CE2 3.76Å; Y49-F116 HydrophobicContact CD1-CE2 3.76Å; Y49-F116 AromaticContact CD1-CG 3.7Å; Y49-F116 HydrophobicContact CD1-CG 3.7Å; Y49-F116 HydrophobicContact CD1-CZ 4.14Å; Y49-F116 HydrophobicContact CE1-CB 4.08Å; Y49-F116 HydrophobicContact CE1-CD1 4.39Å; Y49-F116 HydrophobicContact CE1-CD2 4.08Å; Y49-F116 AromaticContact CE1-CG 3.92Å; Y49-F116 HydrophobicContact CE1-CG 3.92Å; Y49-F116 HydrophobicContact CG-CD2 4.39Å; Y49-F116 HydrophobicContact CG-CE2 4.34Å; L52-F116 HydrophobicContact CB-CE1 3.56Å; L52-F116 HydrophobicContact CB-CZ 3.77Å; L52-F116 HydrophobicContact CD1-CD1 4.19Å; L52-F116 HydrophobicContact CD1-CE1 3.72Å; L52-F116 HydrophobicContact CD1-CZ 4.46Å; L52-F116 HydrophobicContact CG-CE1 4.26Å; V53-F116 HydrophobicContact CG2-CE2 3.98Å; V53-F116 HydrophobicContact CG2-CZ 3.76Å; F87-F116 HydrophobicContact CE1-CE2 4.12Å; F87-F116 HydrophobicContact CZ-CD2 4.22Å; F87-F116 AromaticContact CZ-CE2 3.97Å; F87-F116 HydrophobicContact CZ-CE2 3.97Å; F112-F116 HydrophobicContact CE1-CD2 4.16Å; F112-F116 HydrophobicContact CZ-CD2 4.41Å; F112-F116 VanDerWaalsContact O-CB 3.29Å; F112-F116 WeakPolarHBondContact O-CB 3.36Å; F112-F116 PolarHBondContact O-N 2.95Å; L113-F116 PolarHBondContact O-N 3.36Å; Q114-F116 VanDerWaalsContact C-N 3.3Å; Q114-F116 PolarHBondContact O-N 3.46Å; F116-F119 WeakPolarHBondContact O-CB 3.48Å; F116-F119 PolarHBondContact O-N 2.96Å; F116-F120 WeakPolarHBondContact O-CB 3.34Å; F116-F120 PolarHBondContact O-N 3.25Å
117	K	96	Very high	95.7	Very high	26 Å²	26	37.9 Å²	37.9	11%	0.113	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-46.8	175.4	175.8	55.6	164.1	77.3	0	111.6	L20 I25 W28 L113 Q114 W115 F119 F120 D121	L20-K117 HydrophobicContact CD1-CG 4.27Å; I25-K117 HydrophobicContact CD1-CB 4.09Å; W28-K117 HydrophobicContact CD2-CD 3.56Å; W28-K117 VanDerWaalsContact CE2-CD 3.44Å; W28-K117 HydrophobicContact CE3-CB 4.47Å; W28-K117 HydrophobicContact CE3-CD 3.7Å; W28-K117 HydrophobicContact CE3-CG 4.46Å; W28-K117 HydrophobicContact CG-CD 4.26Å; W28-K117 HydrophobicContact CH2-CB 4.19Å; W28-K117 HydrophobicContact CH2-CD 3.68Å; W28-K117 HydrophobicContact CZ2-CD 3.53Å; W28-K117 HydrophobicContact CZ3-CB 3.97Å; W28-K117 HydrophobicContact CZ3-CD 3.76Å; W28-K117 HydrophobicContact CZ3-CG 4.38Å; L113-K117 WeakPolarHBondContact O-CB 3.33Å; L113-K117 PolarHBondContact O-N 2.91Å; Q114-K117 PolarHBondContact O-N 3.25Å; W115-K117 VanDerWaalsContact C-N 3.32Å; W115-K117 PolarHBondContact O-N 3.42Å; K117-F119 VanDerWaalsContact C-N 3.32Å; K117-F119 PolarHBondContact O-N 3.44Å; K117-F120 WeakPolarHBondContact O-CB 3.45Å; K117-F120 PolarHBondContact O-N 3.39Å; K117-F120 VanDerWaalsContact O-N 3.17Å; K117-D121 IonicContact NZ-OD1 3.89Å; K117-D121 PolarHBondContact NZ-OD1 3.33Å; K117-D121 IonicContact NZ-OD2 3.5Å; K117-D121 PolarHBondContact NZ-OD2 3.47Å; K117-D121 VanDerWaalsContact O-CG 3.24Å; K117-D121 PolarHBondContact O-N 3.13Å
118	R	94	Very high	95.8	Very high	37 Å²	37	44.2 Å²	44.2	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-42.7	176.2	-61.9	166.4	-173.6	161.6	-2.4	111.3	V10 S12 M16 N19 Q114 W115 F120 D121 V122	V10-R118 HydrophobicContact CG2-CB 4.28Å; S12-R118 PolarHBondContact OG-NH1 3.04Å; M16-R118 HydrophobicContact CE-CG 4.49Å; M16-R118 PolarHBondContact SD-NH1 3.13Å; N19-R118 PolarHBondContact OD1-NH2 3.48Å; Q114-R118 PolarHBondContact O-N 3.29Å; W115-R118 PolarHBondContact O-N 2.86Å; R118-F120 VanDerWaalsContact C-N 3.28Å; R118-F120 PolarHBondContact O-N 2.84Å; R118-D121 PolarHBondContact O-N 3.44Å; R118-V122 WeakPolarHBondContact O-CG2 3.49Å; R118-V122 PolarHBondContact O-N 2.91Å
119	F	96.4	Very high	95.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-44.4	174.7	172	-104	0	0	0	110.8	A7 V10 L56 F57 V92 W115 F116 K117 N123	A7-F119 HydrophobicContact CB-CE2 3.8Å; A7-F119 HydrophobicContact CB-CZ 3.87Å; V10-F119 HydrophobicContact CG2-CB 3.78Å; L56-F119 HydrophobicContact CD1-CD1 3.98Å; L56-F119 HydrophobicContact CD1-CE1 3.52Å; L56-F119 HydrophobicContact CD1-CZ 4.35Å; F57-F119 HydrophobicContact CE2-CZ 4.37Å; V92-F119 HydrophobicContact CG1-CE2 4.11Å; V92-F119 HydrophobicContact CG1-CZ 4.39Å; V92-F119 HydrophobicContact CG2-CE2 3.73Å; V92-F119 HydrophobicContact CG2-CZ 3.53Å; W115-F119 HydrophobicContact CH2-CB 3.98Å; W115-F119 HydrophobicContact CH2-CD1 4.29Å; W115-F119 HydrophobicContact CH2-CD2 4.16Å; W115-F119 AromaticContact CH2-CG 3.87Å; W115-F119 HydrophobicContact CH2-CG 3.87Å; W115-F119 HydrophobicContact CZ2-CB 4Å; W115-F119 HydrophobicContact CZ2-CD2 4.16Å; W115-F119 HydrophobicContact CZ2-CG 4.13Å; W115-F119 HydrophobicContact CZ3-CB 4.33Å; W115-F119 HydrophobicContact CZ3-CG 4.49Å; W115-F119 PolarHBondContact O-N 3.46Å; F116-F119 WeakPolarHBondContact O-CB 3.48Å; F116-F119 PolarHBondContact O-N 2.96Å; K117-F119 VanDerWaalsContact C-N 3.32Å; K117-F119 PolarHBondContact O-N 3.44Å; F119-N123 WeakPolarHBondContact CD2-ND2 3.22Å; F119-N123 VanDerWaalsContact CE2-ND2 3.34Å; F119-N123 WeakPolarHBondContact CE2-ND2 3.4Å; F119-N123 WeakPolarHBondContact O-CB 3.4Å; F119-N123 PolarHBondContact O-N 3.25Å; F119-N123 PolarHBondContact O-ND2 2.96Å
120	F	97	Very high	95.6	Very high	7 Å²	7	49 Å²	49	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-48.3	177.5	-175.1	-82.3	0	0	0	111.9	W28 L52 M55 L56 F116 K117 R118 V122 N123 Y124	W28-F120 HydrophobicContact CH2-CB 4.2Å; W28-F120 HydrophobicContact CH2-CG 4.29Å; W28-F120 HydrophobicContact CZ2-CB 3.96Å; W28-F120 AromaticContact CZ2-CD1 3.74Å; W28-F120 HydrophobicContact CZ2-CD1 3.74Å; W28-F120 HydrophobicContact CZ2-CD2 4.06Å; W28-F120 HydrophobicContact CZ2-CE1 4.26Å; W28-F120 AromaticContact CZ2-CG 3.64Å; W28-F120 HydrophobicContact CZ2-CG 3.64Å; L52-F120 HydrophobicContact CD2-CD2 4.37Å; L52-F120 HydrophobicContact CD2-CE2 4.05Å; M55-F120 HydrophobicContact CG-CE2 4.22Å; M55-F120 HydrophobicContact CG-CZ 4.31Å; M55-F120 HydrophobicContact SD-CE2 3.75Å; M55-F120 HydrophobicContact SD-CZ 3.59Å; M55-F120 VanDerWaalsContact SD-CZ 3.59Å; L56-F120 HydrophobicContact CD1-CD2 3.96Å; L56-F120 HydrophobicContact CD2-CD2 3.58Å; L56-F120 HydrophobicContact CD2-CE2 3.74Å; L56-F120 HydrophobicContact CD2-CG 4.01Å; L56-F120 HydrophobicContact CD2-CZ 4.3Å; L56-F120 HydrophobicContact CG-CD2 3.74Å; L56-F120 HydrophobicContact CG-CE2 3.96Å; F116-F120 WeakPolarHBondContact O-CB 3.34Å; F116-F120 PolarHBondContact O-N 3.25Å; K117-F120 WeakPolarHBondContact O-CB 3.45Å; K117-F120 PolarHBondContact O-N 3.39Å; K117-F120 VanDerWaalsContact O-N 3.17Å; R118-F120 VanDerWaalsContact C-N 3.28Å; R118-F120 PolarHBondContact O-N 2.84Å; F120-V122 VanDerWaalsContact C-N 3.27Å; F120-V122 PolarHBondContact O-N 3.35Å; F120-N123 PolarHBondContact O-N 2.87Å; F120-N123 VanDerWaalsContact O-N 3.07Å; F120-Y124 HydrophobicContact CD1-CG 4.47Å; F120-Y124 AromaticContact CE1-CD1 3.82Å; F120-Y124 HydrophobicContact CE1-CD1 3.82Å; F120-Y124 HydrophobicContact CE1-CD2 4.16Å; F120-Y124 HydrophobicContact CE1-CE1 4.47Å; F120-Y124 AromaticContact CE1-CG 3.6Å; F120-Y124 HydrophobicContact CE1-CG 3.6Å; F120-Y124 HydrophobicContact CE2-CD2 4.35Å; F120-Y124 HydrophobicContact CZ-CD1 4.08Å; F120-Y124 AromaticContact CZ-CD2 3.68Å; F120-Y124 HydrophobicContact CZ-CD2 3.68Å; F120-Y124 HydrophobicContact CZ-CE1 4.46Å; F120-Y124 HydrophobicContact CZ-CE2 4.11Å; F120-Y124 AromaticContact CZ-CG 3.64Å; F120-Y124 HydrophobicContact CZ-CG 3.64Å; F120-Y124 WeakPolarHBondContact O-CB 3.46Å; F120-Y124 PolarHBondContact O-N 3.31Å
121	D	94.9	Very high	95.6	Very high	86 Å²	86	47.9 Å²	47.9	46%	0.46	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-34.8	-176.7	-67.5	-25.3	0	0	0	113.3	K117 R118	K117-D121 IonicContact NZ-OD1 3.89Å; K117-D121 PolarHBondContact NZ-OD1 3.33Å; K117-D121 IonicContact NZ-OD2 3.5Å; K117-D121 PolarHBondContact NZ-OD2 3.47Å; K117-D121 VanDerWaalsContact O-CG 3.24Å; K117-D121 PolarHBondContact O-N 3.13Å; R118-D121 PolarHBondContact O-N 3.44Å
122	V	95.1	Very high	95.7	Very high	80 Å²	80	44.7 Å²	44.7	49%	0.485	24%	0.238	S	C	.	.	H	α-helix	trans	-79	-23.1	179	-178.6	0	0	0	0	112.1	V8 V10 R118 F120	V8-V122 HydrophobicContact CB-CG1 3.74Å; V8-V122 HydrophobicContact CG1-CG1 3.47Å; V8-V122 VanDerWaalsContact CG1-CG1 3.47Å; V8-V122 HydrophobicContact CG2-CG1 4.44Å; V10-V122 HydrophobicContact CG1-CB 4.15Å; V10-V122 HydrophobicContact CG1-CG2 3.84Å; R118-V122 WeakPolarHBondContact O-CG2 3.49Å; R118-V122 PolarHBondContact O-N 2.91Å; F120-V122 VanDerWaalsContact C-N 3.27Å; F120-V122 PolarHBondContact O-N 3.35Å
123	N	97.1	Very high	95.6	Very high	23 Å²	23	49 Å²	49	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-104.8	-19.6	-174.4	-75.2	-86.3	0	0	0	114.4	A7 V8 L56 F57 F119 F120 D125	A7-N123 VanDerWaalsContact CA-OD1 3.27Å; A7-N123 WeakPolarHBondContact CA-OD1 3.44Å; A7-N123 WeakPolarHBondContact CB-OD1 3.3Å; V8-N123 PolarHBondContact N-OD1 3.35Å; V8-N123 PolarHBondContact O-ND2 2.9Å; L56-N123 HydrophobicContact CD1-CB 4.22Å; L56-N123 HydrophobicContact CD2-CB 3.88Å; F57-N123 HydrophobicContact CZ-CB 4.29Å; F119-N123 WeakPolarHBondContact CD2-ND2 3.22Å; F119-N123 VanDerWaalsContact CE2-ND2 3.34Å; F119-N123 WeakPolarHBondContact CE2-ND2 3.4Å; F119-N123 WeakPolarHBondContact O-CB 3.4Å; F119-N123 PolarHBondContact O-N 3.25Å; F119-N123 PolarHBondContact O-ND2 2.96Å; F120-N123 PolarHBondContact O-N 2.87Å; F120-N123 VanDerWaalsContact O-N 3.07Å; N123-D125 PolarHBondContact O-N 2.88Å
124	Y	96.7	Very high	95.4	Very high	75 Å²	75	50.7 Å²	50.7	29%	0.294	28%	0.278	S	S	.	.			trans	-79.7	121.5	-177.9	-170.3	-120.2	0	0	0	110.9	M55 L56 F120 G126 H127	M55-Y124 HydrophobicContact CG-CD2 4.32Å; M55-Y124 HydrophobicContact CG-CE2 3.71Å; M55-Y124 HydrophobicContact SD-CE2 4.18Å; L56-Y124 HydrophobicContact CD2-CD2 4.09Å; L56-Y124 HydrophobicContact CD2-CG 4.34Å; F120-Y124 HydrophobicContact CD1-CG 4.47Å; F120-Y124 AromaticContact CE1-CD1 3.82Å; F120-Y124 HydrophobicContact CE1-CD1 3.82Å; F120-Y124 HydrophobicContact CE1-CD2 4.16Å; F120-Y124 HydrophobicContact CE1-CE1 4.47Å; F120-Y124 AromaticContact CE1-CG 3.6Å; F120-Y124 HydrophobicContact CE1-CG 3.6Å; F120-Y124 HydrophobicContact CE2-CD2 4.35Å; F120-Y124 HydrophobicContact CZ-CD1 4.08Å; F120-Y124 AromaticContact CZ-CD2 3.68Å; F120-Y124 HydrophobicContact CZ-CD2 3.68Å; F120-Y124 HydrophobicContact CZ-CE1 4.46Å; F120-Y124 HydrophobicContact CZ-CE2 4.11Å; F120-Y124 AromaticContact CZ-CG 3.64Å; F120-Y124 HydrophobicContact CZ-CG 3.64Å; F120-Y124 WeakPolarHBondContact O-CB 3.46Å; F120-Y124 PolarHBondContact O-N 3.31Å; Y124-G126 VanDerWaalsContact C-N 3.34Å; Y124-H127 PolarHBondContact OH-O 3.44Å
125	D	94.6	Very high	95.5	Very high	128 Å²	128	50.8 Å²	50.8	68%	0.684	28%	0.278	S	S	*	.			trans	-87.8	-1	-178.8	67.5	3.8	0	0	0	113.6	N123 H127	N123-D125 PolarHBondContact O-N 2.88Å; D125-H127 WeakPolarHBondContact OD1-CB 3.43Å; D125-H127 IonicContact OD1-CE1 3.69Å; D125-H127 IonicContact OD1-CG 3.34Å; D125-H127 PolarHBondContact OD1-N 2.95Å; D125-H127 IonicContact OD1-ND1 2.6Å; D125-H127 PolarHBondContact OD1-ND1 3.41Å; D125-H127 IonicContact OD2-ND1 3.59Å
126	G	94.5	Very high	95.4	Very high	49 Å²	49	54 Å²	54	51%	0.505	31%	0.312	S	S	.	.			trans	87.2	6	-179.7	0	0	0	0	0	115.8	Y124	Y124-G126 VanDerWaalsContact C-N 3.34Å
127	H	94.9	Very high	95.2	Very high	47 Å²	47	56.1 Å²	56.1	22%	0.218	33%	0.334	C	S	.	.			trans	-59.7	154.6	177.8	68.7	-95.7	0	0	0	112.8	M55 P58 Y124 D125	M55-H127 PolarHBondContact O-CE1 2.93Å; M55-H127 PolarHBondContact O-NE2 3.4Å; P58-H127 VanDerWaalsContact CG-NE2 3.29Å; P58-H127 WeakPolarHBondContact CG-NE2 3.46Å; Y124-H127 PolarHBondContact OH-O 3.44Å; D125-H127 WeakPolarHBondContact OD1-CB 3.43Å; D125-H127 IonicContact OD1-CE1 3.69Å; D125-H127 IonicContact OD1-CG 3.34Å; D125-H127 PolarHBondContact OD1-N 2.95Å; D125-H127 IonicContact OD1-ND1 2.6Å; D125-H127 PolarHBondContact OD1-ND1 3.41Å; D125-H127 IonicContact OD2-ND1 3.59Å
128	L	94.7	Very high	95	Very high	174 Å²	174	58.8 Å²	58.8	91%	0.911	35%	0.347	S	S	*	.			trans	-74.8	133	177.4	-62	177.4	0	0	0	110.5
129	Y	96.1	Very high	95	Very high	43 Å²	43	64.2 Å²	64.2	17%	0.169	37%	0.372	C	S	.	.			trans	-134.8	121.9	178.7	-178	-86.3	0	0	0	110.9	Q51 D54 M55 A131 A134	Q51-Y129 HydrophobicContact CG-CE1 4.36Å; Q51-Y129 WeakPolarHBondContact CG-OH 3.3Å; D54-Y129 VanDerWaalsContact OD2-CE2 3.28Å; D54-Y129 WeakPolarHBondContact OD2-CE2 3.02Å; D54-Y129 PolarHBondContact OD2-OH 3.1Å; M55-Y129 HydrophobicContact CB-CD1 3.95Å; M55-Y129 HydrophobicContact CB-CD2 3.96Å; M55-Y129 HydrophobicContact CB-CE1 3.97Å; M55-Y129 HydrophobicContact CB-CE2 4.03Å; M55-Y129 HydrophobicContact CB-CG 3.92Å; M55-Y129 HydrophobicContact CE-CD1 3.22Å; M55-Y129 HydrophobicContact CE-CE1 3.95Å; M55-Y129 HydrophobicContact CE-CG 3.81Å; M55-Y129 HydrophobicContact CG-CD1 3.94Å; M55-Y129 HydrophobicContact CG-CD2 4.13Å; M55-Y129 HydrophobicContact CG-CE1 4.47Å; M55-Y129 HydrophobicContact CG-CG 3.73Å; M55-Y129 HydrophobicContact SD-CD1 4.41Å; Y129-A131 HydrophobicContact CD1-CB 4.07Å; Y129-A131 VanDerWaalsContact CE1-CA 3.49Å; Y129-A131 HydrophobicContact CE1-CB 3.77Å; Y129-A134 HydrophobicContact CE1-CB 4.42Å; Y129-A134 WeakPolarHBondContact OH-CB 3.36Å
130	D	95.1	Very high	94.9	Very high	91 Å²	91	64.5 Å²	64.5	49%	0.487	37%	0.373	S	S	.	.			trans	-95.8	95	175.1	-177.7	-7.5	0	0	0	110.6	L132 T133 A134	D130-L132 VanDerWaalsContact C-N 3.27Å; D130-L132 PolarHBondContact O-N 2.8Å; D130-L132 PolarHBondContact OD1-N 2.79Å; D130-T133 VanDerWaalsContact CG-CB 3.49Å; D130-T133 VanDerWaalsContact CG-OG1 3.28Å; D130-T133 PolarHBondContact O-N 3.29Å; D130-T133 PolarHBondContact OD1-N 3.46Å; D130-T133 VanDerWaalsContact OD1-N 3.08Å; D130-T133 WeakPolarHBondContact OD2-CB 3.39Å; D130-T133 PolarHBondContact OD2-OG1 2.91Å; D130-A134 WeakPolarHBondContact O-CB 3.5Å; D130-A134 PolarHBondContact O-N 3.34Å
131	A	94.9	Very high	94.5	Very high	4 Å²	4	70.6 Å²	70.6	3%	0.033	40%	0.404	C	S	.	.	H	α-helix	trans	-63.2	-30	-178.6	0	0	0	0	0	114	L33 Q51 Y129 R135	L33-A131 HydrophobicContact CD2-CB 4.44Å; Q51-A131 PolarHBondContact NE2-O 2.97Å; Y129-A131 HydrophobicContact CD1-CB 4.07Å; Y129-A131 VanDerWaalsContact CE1-CA 3.49Å; Y129-A131 HydrophobicContact CE1-CB 3.77Å; A131-R135 WeakPolarHBondContact O-CG 3.34Å; A131-R135 PolarHBondContact O-N 3.43Å; A131-R135 PolarHBondContact O-NH1 3.17Å
132	L	94.9	Very high	94.1	Very high	46 Å²	46	67.3 Å²	67.3	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-75.7	-44.4	-179	-175.6	64.5	0	0	0	110.4	D130 R135 G136 G137 K139	D130-L132 VanDerWaalsContact C-N 3.27Å; D130-L132 PolarHBondContact O-N 2.8Å; D130-L132 PolarHBondContact OD1-N 2.79Å; L132-R135 PolarHBondContact O-N 2.79Å; L132-G136 PolarHBondContact O-N 3.27Å; L132-G137 WeakPolarHBondContact O-CA 3.31Å; L132-G137 PolarHBondContact O-N 3.2Å; L132-K139 HydrophobicContact CD1-CG 4.02Å
133	T	95	Very high	93.8	Very high	97 Å²	97	66.8 Å²	66.8	60%	0.595	39%	0.391	S	S	*	.	H	α-helix	trans	-65.4	-39.2	176.1	-65	0	0	0	0	111.6	D130 R135 G136	D130-T133 VanDerWaalsContact CG-CB 3.49Å; D130-T133 VanDerWaalsContact CG-OG1 3.28Å; D130-T133 PolarHBondContact O-N 3.29Å; D130-T133 PolarHBondContact OD1-N 3.46Å; D130-T133 VanDerWaalsContact OD1-N 3.08Å; D130-T133 WeakPolarHBondContact OD2-CB 3.39Å; D130-T133 PolarHBondContact OD2-OG1 2.91Å; T133-R135 PolarHBondContact O-N 3.31Å; T133-G136 WeakPolarHBondContact O-CA 3.13Å; T133-G136 PolarHBondContact O-N 3.48Å
134	A	94.4	Very high	92.8	Very high	34 Å²	34	66.6 Å²	66.6	28%	0.281	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-35.9	176.5	0	0	0	0	0	112.6	F63 Y129 D130 G136	F63-A134 WeakPolarHBondContact CD1-O 3.24Å; F63-A134 HydrophobicContact CE1-CB 3.97Å; F63-A134 WeakPolarHBondContact CE1-O 3.47Å; F63-A134 HydrophobicContact CE2-CB 4.3Å; F63-A134 HydrophobicContact CZ-CB 3.57Å; Y129-A134 HydrophobicContact CE1-CB 4.42Å; Y129-A134 WeakPolarHBondContact OH-CB 3.36Å; D130-A134 WeakPolarHBondContact O-CB 3.5Å; D130-A134 PolarHBondContact O-N 3.34Å; A134-G136 VanDerWaalsContact C-N 3.26Å; A134-G136 PolarHBondContact O-N 2.87Å
135	R	95.3	Very high	91.3	Very high	16 Å²	16	72.8 Å²	72.8	6%	0.06	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	2.5	173.2	-66.8	-172.2	-59.8	-96.2	0.2	114.5	L33 Q51 F63 F68 A131 L132 T133 G137 E138	L33-R135 PolarHBondContact O-NH1 3.07Å; L33-R135 PolarHBondContact O-NH2 2.84Å; Q51-R135 VanDerWaalsContact CD-NH1 3.34Å; Q51-R135 VanDerWaalsContact OE1-CD 3.3Å; F63-R135 HydrophobicContact CD1-CG 4.38Å; F63-R135 HydrophobicContact CE1-CG 4.08Å; F68-R135 HydrophobicContact CD1-CG 4.32Å; F68-R135 HydrophobicContact CD2-CG 4.36Å; F68-R135 HydrophobicContact CE1-CG 3.93Å; F68-R135 HydrophobicContact CE2-CG 3.99Å; F68-R135 HydrophobicContact CZ-CG 3.76Å; A131-R135 WeakPolarHBondContact O-CG 3.34Å; A131-R135 PolarHBondContact O-N 3.43Å; A131-R135 PolarHBondContact O-NH1 3.17Å; L132-R135 PolarHBondContact O-N 2.79Å; T133-R135 PolarHBondContact O-N 3.31Å; R135-G137 VanDerWaalsContact C-N 3.29Å; R135-G137 PolarHBondContact O-N 2.96Å; R135-E138 HydrophobicContact CB-CB 4.23Å; R135-E138 PolarHBondContact NE-O 2.93Å; R135-E138 PolarHBondContact O-N 3.17Å
136	G	93.6	Very high	89.6	Confident	71 Å²	71	71 Å²	71	73%	0.732	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	27.8	-174.8	0	0	0	0	0	113.7	L132 T133 A134	L132-G136 PolarHBondContact O-N 3.27Å; T133-G136 WeakPolarHBondContact O-CA 3.13Å; T133-G136 PolarHBondContact O-N 3.48Å; A134-G136 VanDerWaalsContact C-N 3.26Å; A134-G136 PolarHBondContact O-N 2.87Å
137	G	93.1	Very high	87.5	Confident	44 Å²	44	74.5 Å²	74.5	45%	0.454	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-1.6	-179.7	0	0	0	0	0	115.1	L132 R135 K139	L132-G137 WeakPolarHBondContact O-CA 3.31Å; L132-G137 PolarHBondContact O-N 3.2Å; R135-G137 VanDerWaalsContact C-N 3.29Å; R135-G137 PolarHBondContact O-N 2.96Å; G137-K139 PolarHBondContact O-N 3.05Å
138	E	93.7	Very high	84.9	Confident	83 Å²	83	78.9 Å²	78.9	39%	0.388	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-65.6	120.2	174.9	-170.5	179.6	-179.9	0	0	110.2	N69 R135	N69-E138 PolarHBondContact ND2-OE1 3.17Å; R135-E138 HydrophobicContact CB-CB 4.23Å; R135-E138 PolarHBondContact NE-O 2.93Å; R135-E138 PolarHBondContact O-N 3.17Å
139	K	93.4	Very high	82.5	Confident	150 Å²	150	80.7 Å²	80.7	65%	0.652	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-83.7	138	175.2	-65.5	-176.2	-179.4	-178.3	0	109.6	N69 L132 G137	N69-K139 PolarHBondContact ND2-O 3.24Å; N69-K139 PolarHBondContact OD1-O 3.16Å; L132-K139 HydrophobicContact CD1-CG 4.02Å; G137-K139 PolarHBondContact O-N 3.05Å
140	I	93.4	Very high	79.8	Confident	6 Å²	6	82 Å²	82	3%	0.031	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-86	120.3	172.8	-64.9	174.4	0	0	0	108	Y37 F68	Y37-I140 HydrophobicContact CE1-CG2 3.84Å; Y37-I140 HydrophobicContact CE2-CG2 3.95Å; Y37-I140 VanDerWaalsContact CZ-CG2 3.44Å; Y37-I140 VanDerWaalsContact OH-CG2 3.31Å; Y37-I140 WeakPolarHBondContact OH-CG2 3.47Å; F68-I140 HydrophobicContact CB-CG1 4.36Å; F68-I140 HydrophobicContact CD1-CD1 3.91Å; F68-I140 HydrophobicContact CD1-CG1 4.14Å
141	I	88.6	Confident	77.3	Confident	135 Å²	135	86.3 Å²	86.3	69%	0.692	49%	0.489	S	S	*	.			trans	-105.8	104.1	-177.2	-53.2	172.5	0	0	0	109.1	N69	N69-I141 PolarHBondContact OD1-N 3.3Å
142	G	87.2	Confident	74.9	Confident	17 Å²	17	94.3 Å²	94.3	18%	0.175	53%	0.53	C	S	.	.			trans	-99.9	179.6	168.5	0	0	0	0	0	112.9	S36 G144	S36-G142 CarbonylContact O-C 3.16Å; S36-G142 WeakPolarHBondContact O-CA 3.49Å; S36-G142 PolarHBondContact OG-N 3.46Å; S36-G142 VanDerWaalsContact OG-N 3.1Å; G142-G144 PolarHBondContact O-N 2.92Å
143	S	88	Confident	72.3	Confident	69 Å²	69	99.8 Å²	99.8	48%	0.483	56%	0.56	S	S	.	*	S	Bend	trans	-76.4	-4.3	176.1	61.8	0	0	0	0	114	E42 K145	E42-S143 VanDerWaalsContact CD-OG 3.29Å; E42-S143 WeakPolarHBondContact OE1-CA 3.24Å; E42-S143 WeakPolarHBondContact OE1-CB 3.35Å; E42-S143 PolarHBondContact OE1-N 2.6Å; E42-S143 PolarHBondContact OE1-OG 3.27Å; E42-S143 PolarHBondContact OE2-N 3.42Å; S143-K145 PolarHBondContact O-N 3.17Å
144	G	76	Confident	70	Confident	19 Å²	19	102.5 Å²	102.5	20%	0.196	57%	0.565	C	S	.	*	S	Bend	trans	-64.7	126.6	175.6	0	0	0	0	0	110	S36 G38 G142 T146	S36-G144 VanDerWaalsContact O-CA 3.24Å; S36-G144 WeakPolarHBondContact O-CA 3.46Å; S36-G144 PolarHBondContact O-N 3.06Å; G38-G144 VanDerWaalsContact CA-CA 3.44Å; G38-G144 VanDerWaalsContact CA-N 3.34Å; G142-G144 PolarHBondContact O-N 2.92Å; G144-T146 PolarHBondContact O-N 3.05Å
145	K	66.4	Low	67.4	Low	206 Å²	206	106.9 Å²	106.9	90%	0.896	59%	0.591	S	S	*	*			trans	-64.5	107.2	169.5	-65.6	-180	-177.5	176.8	0	106.9	S143	S143-K145 PolarHBondContact O-N 3.17Å
146	T	57.5	Low	64.9	Low	90 Å²	90	116.7 Å²	116.7	55%	0.552	63%	0.628	S	S	*	*			trans	-53.5	130.3	166.2	51.9	0	0	0	0	107.2	G144 N148	G144-T146 PolarHBondContact O-N 3.05Å; T146-N148 PolarHBondContact O-N 3.35Å
147	P	51.2	Low	62.5	Low	123 Å²	123	120.6 Å²	120.6	80%	0.799	63%	0.633	S	S	*	*			trans	-55.2	120.8	170.2	22.5	-29.6	0	0	0	106.3	K149	P147-K149 PolarHBondContact O-N 3.32Å
148	N	40.5	Very low	60.1	Low	139 Å²	139	123.1 Å²	123.1	74%	0.743	64%	0.643	S	S	*	*			trans	-49.2	97.4	-176	-119.5	-1.2	0	0	0	109.3	T146 S150	T146-N148 PolarHBondContact O-N 3.35Å; N148-S150 PolarHBondContact O-N 3.11Å; N148-S150 VanDerWaalsContact O-N 3.13Å
149	K	44.4	Very low	57.7	Low	212 Å²	212	127 Å²	127	92%	0.922	67%	0.665	S	S	*	*			trans	-85.8	58.3	160	-140.3	-179.1	-173.7	-175.4	0	106.8	P147	P147-K149 PolarHBondContact O-N 3.32Å
150	S	40.2	Very low	55.4	Low	71 Å²	71	124.8 Å²	124.8	50%	0.497	67%	0.668	S	S	.	*			trans	-96.1	117.1	171.6	52.5	0	0	0	0	107.5	N148	N148-S150 PolarHBondContact O-N 3.11Å; N148-S150 VanDerWaalsContact O-N 3.13Å
151	Q	42.6	Very low	53	Low	181 Å²	181	129.2 Å²	129.2	85%	0.846	70%	0.7	S	S	*	*	S	Bend	trans	84.9	81.2	173	-54	-177.8	-1.7	0	0	116.5
152	L	43.6	Very low	50.9	Low	171 Å²	171	130.6 Å²	130.6	90%	0.895	71%	0.709	S	S	*	*			trans	175.2	79.4	143.3	-94.3	143.8	0	0	0	107.7
153	D	39.8	Very low	48.8	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	73%	0.732	S	S	*	*			trans	177	79.4	151.4	-95.1	-36.1	0	0	0	108.8
154	Q	48.1	Very low	47.1	Very low	153 Å²	153	139.8 Å²	139.8	72%	0.715	75%	0.75	S	S	*	*			trans	-119.3	123.2	150.8	-94.6	-167.3	4.3	0	0	107.1	R156	Q154-R156 PolarHBondContact O-N 2.97Å; Q154-R156 VanDerWaalsContact O-N 3.08Å
155	P	38.4	Very low	45.7	Very low	127 Å²	127	144.4 Å²	144.4	83%	0.825	78%	0.776	S	S	*	*			trans	-75.8	100.5	173.5	30.2	-29	0	0	0	107.8
156	R	42.4	Very low	44.7	Very low	221 Å²	221	140.7 Å²	140.7	83%	0.834	77%	0.771	S	S	*	*			trans	-101.5	111.7	165.2	-91.9	-174.4	176.1	161.5	-0	109.6	Q154 S158	Q154-R156 PolarHBondContact O-N 2.97Å; Q154-R156 VanDerWaalsContact O-N 3.08Å; R156-S158 PolarHBondContact O-N 2.86Å
157	N	43.5	Very low	44.2	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	78%	0.779	S	S	*	*			trans	-49.7	128.2	167.9	-74	-23	0	0	0	111.7
158	S	42.9	Very low	44.2	Very low	97 Å²	97	144.2 Å²	144.2	68%	0.678	78%	0.782	S	S	*	*			trans	52.4	113.9	138.2	74.7	0	0	0	0	119.5	R156	R156-S158 PolarHBondContact O-N 2.86Å
159	I	44.3	Very low	44.3	Very low	164 Å²	164	146.4 Å²	146.4	84%	0.841	79%	0.785	S	S	*	*				168.9	116.3	102.3	-79.2	157	0	0	0	110.4
160	S	44.6	Very low	44.4	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	78%	0.777	S	S	*	*			trans	32.4	113.1	147.8	-112.3	0	0	0	0	124.4
161	S	43	Very low	44.5	Very low	100 Å²	100	146.6 Å²	146.6	70%	0.699	79%	0.79	S	S	*	*				40.1	120.4	117.5	65.9	0	0	0	0	121.2
162	N	44.8	Very low	44.4	Very low	164 Å²	164	143.7 Å²	143.7	88%	0.877	78%	0.784	S	S	*	*				-164.4	146.7	98.4	-139.4	0.4	0	0	0	113.6
163	A	43.8	Very low	44.9	Very low	81 Å²	81	142 Å²	142	67%	0.669	78%	0.781	S	S	*	*			trans	-73.1	164.2	-177.8	0	0	0	0	0	113.1
164	K	50.5	Low	44.9	Very low	198 Å²	198	139.9 Å²	139.9	86%	0.861	77%	0.774	S	S	*	*				-167.5	159.5	53.1	-81.6	175.9	173	173.2	0	111.6
165	P	46.9	Very low	45.1	Very low	115 Å²	115	139.7 Å²	139.7	75%	0.747	78%	0.778	S	S	*	*			trans	-99.8	173.8	175.4	39	-31.4	0	0	0	112.7
166	T	45.7	Very low	45.5	Very low	129 Å²	129	143.7 Å²	143.7	79%	0.791	78%	0.776	S	S	*	*			trans	174.9	116.6	136.6	-65.8	0	0	0	0	113.6
167	S	47.4	Very low	45.6	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	77%	0.772	S	S	*	*			trans	49.4	143.7	133.5	-50	0	0	0	0	127.9
168	Q	50.8	Low	45.9	Very low	183 Å²	183	136.3 Å²	136.3	86%	0.855	77%	0.766	S	S	*	*			trans	126.5	106.5	135.4	-64.7	-174.4	-1.8	0	0	113.9
169	K	42.9	Very low	46.5	Very low	185 Å²	185	140.5 Å²	140.5	80%	0.804	77%	0.774	S	S	*	*				53.4	132.3	88.9	-86.5	-171.5	177.1	179.4	0	112.3
170	Q	45.9	Very low	46.8	Very low	160 Å²	160	138.1 Å²	138.1	75%	0.748	77%	0.772	S	S	*	*			cis	-179.1	155.2	33.8	-118.8	-178.3	-20.4	0	0	111.1
171	V	42.9	Very low	47	Very low	127 Å²	127	136.9 Å²	136.9	77%	0.77	78%	0.776	S	S	*	*			trans	88.9	137.3	135.1	-178	0	0	0	0	123.2
172	V	40.3	Very low	47.3	Very low	120 Å²	120	138.7 Å²	138.7	73%	0.727	78%	0.782	S	S	*	*			trans	-76.4	152.2	-174.5	-178.2	0	0	0	0	113.7
173	T	53.5	Low	47.4	Very low	136 Å²	136	136.6 Å²	136.6	83%	0.834	78%	0.78	S	S	*	*			trans	-161.8	133.8	145	-70.7	0	0	0	0	112.5
174	T	41.6	Very low	47.5	Very low	117 Å²	117	135.9 Å²	135.9	72%	0.718	78%	0.781	S	S	*	*			trans	-77	167.5	174.5	27	0	0	0	0	115.4
175	L	50.9	Low	47.8	Very low	150 Å²	150	132.4 Å²	132.4	79%	0.785	78%	0.777	S	S	*	*			trans	133	145.9	154	-73.4	165.4	0	0	0	110.8
176	R	46.3	Very low	47.7	Very low	211 Å²	211	133.3 Å²	133.3	80%	0.796	78%	0.782	S	S	*	*			cis	-175.4	145.1	-18	-138.6	-173.9	-156.8	-170.9	3.9	106.5
177	T	45.2	Very low	47.9	Very low	120 Å²	120	132.6 Å²	132.6	74%	0.736	78%	0.778	S	S	*	*			trans	45.2	132	146.1	47.8	0	0	0	0	121.2
178	S	50.1	Low	48	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	79%	0.786	S	S	*	*				177	149.8	64.4	33.2	0	0	0	0	112.7
179	Q	55.9	Low	47.9	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.864	78%	0.78	S	S	*	*			trans	52.4	143.7	142.1	-62.8	176.7	16.3	0	0	119.3
180	S	49.5	Very low	48.3	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	77%	0.773	S	S	*	*			cis	-180	150.2	8.3	33.2	0	0	0	0	106.2
181	G	48.6	Very low	48.6	Very low	77 Å²	77	130.9 Å²	130.9	79%	0.794	78%	0.775	S	S	*	*			trans	162.5	129.9	168.6	0	0	0	0	0	114.1
182	V	49.1	Very low	49.1	Very low	138 Å²	138	133.3 Å²	133.3	84%	0.836	77%	0.772	S	S	*	*			trans	-100.7	155.9	-153.3	-161.9	0	0	0	0	112.6
183	S	47.7	Very low	49.8	Very low	119 Å²	119	131.3 Å²	131.3	83%	0.832	76%	0.763	S	S	*	*			trans	93.3	116.6	150.6	-60.2	0	0	0	0	119.3
184	G	46.9	Very low	50.1	Low	67 Å²	67	129 Å²	129	69%	0.691	76%	0.758	S	S	*	*			trans	158	96.7	153.5	0	0	0	0	0	116.5
185	T	55.7	Low	50.9	Low	124 Å²	124	125.8 Å²	125.8	76%	0.761	75%	0.748	S	S	*	*			trans	64.2	126.9	150.3	54	0	0	0	0	121.1	T187	T185-T187 PolarHBondContact O-N 3.35Å
186	P	45	Very low	51.5	Low	134 Å²	134	123.3 Å²	123.3	87%	0.87	74%	0.735	S	S	*	*			trans	-85.8	106.6	171.3	33.4	-26.3	0	0	0	109.6
187	T	50.6	Low	52.9	Low	115 Å²	115	119.2 Å²	119.2	71%	0.706	73%	0.729	S	S	*	*			trans	-105.7	110.6	166.4	56.5	0	0	0	0	109.3	T185 N189	T185-T187 PolarHBondContact O-N 3.35Å; T187-N189 PolarHBondContact O-N 3.44Å
188	N	48.7	Very low	54.7	Low	163 Å²	163	116.1 Å²	116.1	87%	0.872	72%	0.716	S	S	*	*			trans	-30.5	112.8	160.5	-113.7	-8.2	0	0	0	111.5
189	N	49.1	Very low	56.3	Low	140 Å²	140	117.2 Å²	117.2	75%	0.749	71%	0.71	S	S	*	*			trans	-139.3	92.4	167.2	-122.8	6.3	0	0	0	109.3	T187 H191	T187-N189 PolarHBondContact O-N 3.44Å; N189-H191 VanDerWaalsContact C-N 3.33Å; N189-H191 PolarHBondContact O-N 3.32Å
190	N	50.6	Low	57.8	Low	120 Å²	120	112.5 Å²	112.5	64%	0.642	69%	0.694	S	S	*	*			trans	-60.3	92.2	167.2	-100.7	-6.6	0	0	0	109.1	Y192	N190-Y192 VanDerWaalsContact C-N 3.34Å; N190-Y192 HydrophobicContact CB-CD2 3.97Å; N190-Y192 HydrophobicContact CB-CE2 3.77Å; N190-Y192 VanDerWaalsContact CG-CE2 3.49Å; N190-Y192 WeakPolarHBondContact ND2-CE2 3.28Å; N190-Y192 PolarHBondContact ND2-OH 3.22Å; N190-Y192 PolarHBondContact O-N 3.04Å
191	H	52.4	Low	59.6	Low	171 Å²	171	109.8 Å²	109.8	79%	0.792	68%	0.678	S	S	*	*			trans	-82.8	85.1	160.6	-111.1	88.8	0	0	0	107.5	N189 S193	N189-H191 VanDerWaalsContact C-N 3.33Å; N189-H191 PolarHBondContact O-N 3.32Å; H191-S193 PolarHBondContact O-N 3.24Å
192	Y	54.2	Low	61.5	Low	179 Å²	179	110.7 Å²	110.7	70%	0.702	66%	0.664	S	S	*	*			trans	-71.1	106.9	162.7	-71.8	-72.4	0	0	0	107.6	N190 A194	N190-Y192 VanDerWaalsContact C-N 3.34Å; N190-Y192 HydrophobicContact CB-CD2 3.97Å; N190-Y192 HydrophobicContact CB-CE2 3.77Å; N190-Y192 VanDerWaalsContact CG-CE2 3.49Å; N190-Y192 WeakPolarHBondContact ND2-CE2 3.28Å; N190-Y192 PolarHBondContact ND2-OH 3.22Å; N190-Y192 PolarHBondContact O-N 3.04Å; Y192-A194 PolarHBondContact O-N 3.17Å
193	S	54.3	Low	63.4	Low	77 Å²	77	108.6 Å²	108.6	54%	0.538	65%	0.647	S	S	.	*			trans	-54.8	126.3	176.9	-80.1	0	0	0	0	110.8	H191 G195 D196	H191-S193 PolarHBondContact O-N 3.24Å; S193-G195 PolarHBondContact O-N 2.93Å; S193-D196 PolarHBondContact O-N 3.24Å; S193-D196 VanDerWaalsContact O-N 3.17Å
194	A	58.9	Low	65.3	Low	89 Å²	89	109.5 Å²	109.5	74%	0.736	64%	0.636	S	S	*	*	H	α-helix	trans	-59.2	-10.6	175.5	0	0	0	0	0	114.2	Y192	Y192-A194 PolarHBondContact O-N 3.17Å
195	G	59.4	Low	67.3	Low	49 Å²	49	112 Å²	112	51%	0.505	63%	0.63	S	S	.	*	H	α-helix	trans	-68.2	-38.1	173.5	0	0	0	0	0	114	S193 N197 A198 E199	S193-G195 PolarHBondContact O-N 2.93Å; G195-N197 VanDerWaalsContact C-N 3.29Å; G195-N197 PolarHBondContact O-N 3.11Å; G195-A198 PolarHBondContact O-N 3.36Å; G195-E199 PolarHBondContact O-N 2.98Å
196	D	62.7	Low	68.8	Low	98 Å²	98	110.9 Å²	110.9	52%	0.524	62%	0.616	S	S	.	*	H	α-helix	trans	-65.4	-33.7	-177.6	-72.7	-18	0	0	0	111.7	S193 A198 V200	S193-D196 PolarHBondContact O-N 3.24Å; S193-D196 VanDerWaalsContact O-N 3.17Å; D196-A198 VanDerWaalsContact C-N 3.35Å; D196-A198 PolarHBondContact O-N 2.72Å; D196-V200 VanDerWaalsContact O-CB 3.31Å; D196-V200 WeakPolarHBondContact O-CB 3.44Å; D196-V200 WeakPolarHBondContact O-CG2 3.36Å; D196-V200 PolarHBondContact O-N 3.32Å
197	N	75.4	Confident	70.9	Confident	125 Å²	125	111 Å²	111	67%	0.668	60%	0.603	S	S	*	*	H	α-helix	trans	-68	-31.9	178.7	-90.9	-40.3	0	0	0	113.3	G195 A201	G195-N197 VanDerWaalsContact C-N 3.29Å; G195-N197 PolarHBondContact O-N 3.11Å; N197-A201 WeakPolarHBondContact O-CB 3.47Å; N197-A201 PolarHBondContact O-N 3.25Å; N197-A201 VanDerWaalsContact O-N 3.11Å
198	A	83.8	Confident	72.5	Confident	55 Å²	55	109.8 Å²	109.8	46%	0.455	59%	0.592	S	S	.	*	H	α-helix	trans	-74.4	-42.7	178.8	0	0	0	0	0	111.2	G195 D196 A201 I202	G195-A198 PolarHBondContact O-N 3.36Å; D196-A198 VanDerWaalsContact C-N 3.35Å; D196-A198 PolarHBondContact O-N 2.72Å; A198-A201 PolarHBondContact O-N 3.28Å; A198-I202 WeakPolarHBondContact O-CG1 3.4Å; A198-I202 PolarHBondContact O-N 2.61Å
199	E	84.7	Confident	74.2	Confident	122 Å²	122	105.7 Å²	105.7	57%	0.57	57%	0.568	S	S	*	*	H	α-helix	trans	-66.2	-43.3	176.6	-172.9	166.2	-171.5	0	0	111.5	G195 A201 I202 L203	G195-E199 PolarHBondContact O-N 2.98Å; E199-A201 VanDerWaalsContact C-N 3.29Å; E199-A201 PolarHBondContact O-N 3.23Å; E199-I202 PolarHBondContact O-N 2.65Å; E199-L203 HydrophobicContact CG-CD1 4.09Å; E199-L203 HydrophobicContact CG-CG 4.5Å; E199-L203 WeakPolarHBondContact O-CB 3.46Å; E199-L203 WeakPolarHBondContact O-CG 3.35Å; E199-L203 PolarHBondContact O-N 3.18Å
200	V	86.3	Confident	76.1	Confident	87 Å²	87	104.2 Å²	104.2	53%	0.527	56%	0.56	S	S	.	*	H	α-helix	trans	-60.1	-38.4	173.9	170.6	0	0	0	0	111.7	D196 K204	D196-V200 VanDerWaalsContact O-CB 3.31Å; D196-V200 WeakPolarHBondContact O-CB 3.44Å; D196-V200 WeakPolarHBondContact O-CG2 3.36Å; D196-V200 PolarHBondContact O-N 3.32Å; V200-K204 VanDerWaalsContact O-CB 3.28Å; V200-K204 WeakPolarHBondContact O-CB 3.48Å; V200-K204 PolarHBondContact O-N 2.95Å
201	A	86.9	Confident	78	Confident	57 Å²	57	101.8 Å²	101.8	47%	0.471	55%	0.549	S	S	.	.	H	α-helix	trans	-66.2	-40.4	176.2	0	0	0	0	0	112.5	N197 A198 E199 Q205	N197-A201 WeakPolarHBondContact O-CB 3.47Å; N197-A201 PolarHBondContact O-N 3.25Å; N197-A201 VanDerWaalsContact O-N 3.11Å; A198-A201 PolarHBondContact O-N 3.28Å; E199-A201 VanDerWaalsContact C-N 3.29Å; E199-A201 PolarHBondContact O-N 3.23Å; A201-Q205 PolarHBondContact O-N 3.3Å
202	I	89	Confident	79.3	Confident	96 Å²	96	95.7 Å²	95.7	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-46.9	176.1	-67.4	166.4	0	0	0	110.5	A198 E199 K204 Q205 Q206	A198-I202 WeakPolarHBondContact O-CG1 3.4Å; A198-I202 PolarHBondContact O-N 2.61Å; E199-I202 PolarHBondContact O-N 2.65Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.46Å; I202-Q205 WeakPolarHBondContact O-CB 3.4Å; I202-Q205 PolarHBondContact O-N 3.43Å; I202-Q206 PolarHBondContact O-N 2.76Å
203	L	88.3	Confident	80.8	Confident	93 Å²	93	92 Å²	92	49%	0.487	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-40.8	177.7	-74.9	169.9	0	0	0	111.7	E199 Q206 F207	E199-L203 HydrophobicContact CG-CD1 4.09Å; E199-L203 HydrophobicContact CG-CG 4.5Å; E199-L203 WeakPolarHBondContact O-CB 3.46Å; E199-L203 WeakPolarHBondContact O-CG 3.35Å; E199-L203 PolarHBondContact O-N 3.18Å; L203-Q206 PolarHBondContact O-N 3.5Å; L203-F207 WeakPolarHBondContact O-CB 3.39Å; L203-F207 PolarHBondContact O-N 2.9Å
204	K	89.1	Confident	82.5	Confident	138 Å²	138	91.2 Å²	91.2	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-62.8	-42.8	174.8	-172.2	173.3	-177.7	179	0	111.8	V200 I202 Q206 F207 D208	V200-K204 VanDerWaalsContact O-CB 3.28Å; V200-K204 WeakPolarHBondContact O-CB 3.48Å; V200-K204 PolarHBondContact O-N 2.95Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.46Å; K204-Q206 VanDerWaalsContact C-N 3.33Å; K204-Q206 PolarHBondContact O-N 3.11Å; K204-F207 PolarHBondContact O-N 3.49Å; K204-D208 WeakPolarHBondContact O-CB 3.4Å; K204-D208 VanDerWaalsContact O-CG 3.27Å; K204-D208 PolarHBondContact O-N 3.36Å
205	Q	87.4	Confident	83.8	Confident	119 Å²	119	92.3 Å²	92.3	56%	0.556	50%	0.499	S	S	*	.	H	α-helix	trans	-63.1	-38.7	175.8	-177.2	178.9	-7.4	0	0	112.3	A201 I202 Q209	A201-Q205 PolarHBondContact O-N 3.3Å; I202-Q205 WeakPolarHBondContact O-CB 3.4Å; I202-Q205 PolarHBondContact O-N 3.43Å; Q205-Q209 WeakPolarHBondContact O-CB 3.34Å; Q205-Q209 PolarHBondContact O-N 3.34Å
206	Q	88.5	Confident	84.7	Confident	101 Å²	101	92.7 Å²	92.7	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-67.9	-40.7	174.8	-73.5	-179.1	-12.9	0	0	112	I202 L203 K204 Q209 L210	I202-Q206 PolarHBondContact O-N 2.76Å; L203-Q206 PolarHBondContact O-N 3.5Å; K204-Q206 VanDerWaalsContact C-N 3.33Å; K204-Q206 PolarHBondContact O-N 3.11Å; Q206-Q209 WeakPolarHBondContact O-CB 3.36Å; Q206-Q209 PolarHBondContact O-N 3.39Å; Q206-L210 WeakPolarHBondContact O-CB 3.49Å; Q206-L210 WeakPolarHBondContact O-CG 3.45Å; Q206-L210 PolarHBondContact O-N 2.87Å
207	F	88.1	Confident	85.8	Confident	136 Å²	136	91.9 Å²	91.9	60%	0.596	48%	0.484	S	S	*	.	H	α-helix	trans	-63.3	-45.6	176.4	-175.8	-93	0	0	0	111.9	L203 K204 Q209 L210 T211	L203-F207 WeakPolarHBondContact O-CB 3.39Å; L203-F207 PolarHBondContact O-N 2.9Å; K204-F207 PolarHBondContact O-N 3.49Å; F207-Q209 VanDerWaalsContact C-N 3.26Å; F207-Q209 PolarHBondContact O-N 3.47Å; F207-L210 PolarHBondContact O-N 2.92Å; F207-T211 WeakPolarHBondContact O-CB 3.44Å; F207-T211 PolarHBondContact O-N 2.89Å; F207-T211 PolarHBondContact O-OG1 3.03Å
208	D	85.1	Confident	86.5	Confident	90 Å²	90	92.1 Å²	92.1	48%	0.481	48%	0.479	S	S	.	.	H	α-helix	trans	-62	-37	175.4	-68.8	-16.3	0	0	0	110.8	K204 L212	K204-D208 WeakPolarHBondContact O-CB 3.4Å; K204-D208 VanDerWaalsContact O-CG 3.27Å; K204-D208 PolarHBondContact O-N 3.36Å; D208-L212 WeakPolarHBondContact O-CB 3.42Å; D208-L212 PolarHBondContact O-N 3.5Å; D208-L212 VanDerWaalsContact O-N 3.17Å
209	Q	84.2	Confident	86.4	Confident	77 Å²	77	92.5 Å²	92.5	36%	0.36	48%	0.475	S	S	.	.	H	α-helix	trans	-66.8	-47.9	175.3	-180	171.8	8	0	0	112.7	Q205 Q206 F207 T211 L212 E213	Q205-Q209 WeakPolarHBondContact O-CB 3.34Å; Q205-Q209 PolarHBondContact O-N 3.34Å; Q206-Q209 WeakPolarHBondContact O-CB 3.36Å; Q206-Q209 PolarHBondContact O-N 3.39Å; F207-Q209 VanDerWaalsContact C-N 3.26Å; F207-Q209 PolarHBondContact O-N 3.47Å; Q209-T211 VanDerWaalsContact C-N 3.31Å; Q209-T211 PolarHBondContact O-N 3.01Å; Q209-L212 PolarHBondContact O-N 3.13Å; Q209-E213 PolarHBondContact O-N 3.05Å
210	L	88.7	Confident	86.2	Confident	110 Å²	110	89.6 Å²	89.6	58%	0.576	47%	0.466	S	S	*	.	H	α-helix	trans	-63.3	-38.4	177.9	-78.9	165.2	0	0	0	111.8	Q206 F207 L212 E213 A214	Q206-L210 WeakPolarHBondContact O-CB 3.49Å; Q206-L210 WeakPolarHBondContact O-CG 3.45Å; Q206-L210 PolarHBondContact O-N 2.87Å; F207-L210 PolarHBondContact O-N 2.92Å; L210-L212 VanDerWaalsContact C-N 3.34Å; L210-L212 PolarHBondContact O-N 3.29Å; L210-E213 PolarHBondContact O-N 3.48Å; L210-A214 WeakPolarHBondContact O-CB 3.47Å; L210-A214 PolarHBondContact O-N 3.38Å
211	T	89.8	Confident	86.5	Confident	68 Å²	68	90 Å²	90	42%	0.417	46%	0.464	S	S	.	.	H	α-helix	trans	-62.3	-43.7	177.1	-58	0	0	0	0	110.9	F207 Q209 A214 E215	F207-T211 WeakPolarHBondContact O-CB 3.44Å; F207-T211 PolarHBondContact O-N 2.89Å; F207-T211 PolarHBondContact O-OG1 3.03Å; Q209-T211 VanDerWaalsContact C-N 3.31Å; Q209-T211 PolarHBondContact O-N 3.01Å; T211-A214 PolarHBondContact O-N 3.39Å; T211-E215 PolarHBondContact O-N 3.08Å; T211-E215 VanDerWaalsContact O-N 3.11Å
212	L	81.5	Confident	86.6	Confident	44 Å²	44	90.9 Å²	90.9	23%	0.23	46%	0.459	C	S	.	.	H	α-helix	trans	-66.6	-41.1	177.2	-161.4	84.7	0	0	0	112.1	F106 D208 Q209 L210 A214 E215 Q216	F106-L212 HydrophobicContact CB-CD1 4.5Å; F106-L212 HydrophobicContact CD1-CD1 3.69Å; F106-L212 HydrophobicContact CD1-CD2 3.79Å; F106-L212 HydrophobicContact CD1-CG 3.95Å; F106-L212 HydrophobicContact CD2-CD2 4.35Å; F106-L212 HydrophobicContact CE1-CD1 4.16Å; F106-L212 HydrophobicContact CE1-CD2 3.43Å; F106-L212 VanDerWaalsContact CE1-CD2 3.43Å; F106-L212 HydrophobicContact CE1-CG 3.88Å; F106-L212 HydrophobicContact CE2-CD2 4.03Å; F106-L212 HydrophobicContact CG-CD1 4.1Å; F106-L212 HydrophobicContact CG-CD2 4.25Å; F106-L212 HydrophobicContact CZ-CD2 3.57Å; D208-L212 WeakPolarHBondContact O-CB 3.42Å; D208-L212 PolarHBondContact O-N 3.5Å; D208-L212 VanDerWaalsContact O-N 3.17Å; Q209-L212 PolarHBondContact O-N 3.13Å; L210-L212 VanDerWaalsContact C-N 3.34Å; L210-L212 PolarHBondContact O-N 3.29Å; L212-A214 VanDerWaalsContact C-N 3.34Å; L212-E215 PolarHBondContact O-N 3.31Å; L212-Q216 PolarHBondContact O-N 2.97Å
213	E	85.5	Confident	86.3	Confident	102 Å²	102	87.4 Å²	87.4	48%	0.477	45%	0.446	S	S	.	.	H	α-helix	trans	-64.2	-39.6	176.4	-173.3	177.4	168.5	0	0	111.6	Q209 L210 E215 Q216 N217	Q209-E213 PolarHBondContact O-N 3.05Å; L210-E213 PolarHBondContact O-N 3.48Å; E213-E215 PolarHBondContact O-N 2.97Å; E213-Q216 PolarHBondContact O-N 3.31Å; E213-N217 WeakPolarHBondContact O-CB 3.41Å; E213-N217 VanDerWaalsContact O-CG 3.27Å; E213-N217 PolarHBondContact O-N 2.62Å
214	A	89.9	Confident	86.4	Confident	60 Å²	60	87 Å²	87	50%	0.496	44%	0.444	S	S	.	.	H	α-helix	trans	-62.9	-40.7	174.2	0	0	0	0	0	112.1	L210 T211 L212 N217 K218	L210-A214 WeakPolarHBondContact O-CB 3.47Å; L210-A214 PolarHBondContact O-N 3.38Å; T211-A214 PolarHBondContact O-N 3.39Å; L212-A214 VanDerWaalsContact C-N 3.34Å; A214-N217 PolarHBondContact O-N 2.85Å; A214-K218 WeakPolarHBondContact O-CB 3.47Å; A214-K218 PolarHBondContact O-N 3.36Å
215	E	85.9	Confident	86.6	Confident	112 Å²	112	83.9 Å²	83.9	52%	0.523	43%	0.433	S	S	.	.	H	α-helix	trans	-65.5	-39.6	175.5	-170.2	174	-168.8	0	0	112	T211 L212 E213 K218 T219	T211-E215 PolarHBondContact O-N 3.08Å; T211-E215 VanDerWaalsContact O-N 3.11Å; L212-E215 PolarHBondContact O-N 3.31Å; E213-E215 PolarHBondContact O-N 2.97Å; E215-K218 PolarHBondContact O-N 3.45Å; E215-T219 PolarHBondContact O-N 3.08Å; E215-T219 PolarHBondContact O-OG1 3.39Å
216	Q	78.9	Confident	86.7	Confident	57 Å²	57	85.8 Å²	85.8	27%	0.266	44%	0.435	S	S	.	.	H	α-helix	trans	-63.7	-49.2	173.9	179.1	58.6	47.2	0	0	111.5	L212 E213 K218 T219 T220	L212-Q216 PolarHBondContact O-N 2.97Å; E213-Q216 PolarHBondContact O-N 3.31Å; Q216-K218 VanDerWaalsContact C-N 3.26Å; Q216-K218 PolarHBondContact O-N 2.86Å; Q216-T219 PolarHBondContact O-N 2.86Å; Q216-T219 VanDerWaalsContact O-N 3.13Å; Q216-T220 PolarHBondContact NE2-OG1 3.45Å; Q216-T220 PolarHBondContact O-N 3.2Å; Q216-T220 PolarHBondContact O-OG1 3.19Å; Q216-T220 VanDerWaalsContact O-OG1 3.08Å
217	N	85.3	Confident	86.9	Confident	81 Å²	81	84.3 Å²	84.3	43%	0.433	43%	0.429	S	S	.	.	H	α-helix	trans	-59.9	-40.4	179	-73.6	-15.1	0	0	0	110.9	E213 A214 T220 I221	E213-N217 WeakPolarHBondContact O-CB 3.41Å; E213-N217 VanDerWaalsContact O-CG 3.27Å; E213-N217 PolarHBondContact O-N 2.62Å; A214-N217 PolarHBondContact O-N 2.85Å; N217-T220 PolarHBondContact O-N 3.12Å; N217-I221 WeakPolarHBondContact O-CB 3.28Å; N217-I221 WeakPolarHBondContact O-CD1 3.3Å; N217-I221 WeakPolarHBondContact O-CG1 3.25Å; N217-I221 PolarHBondContact O-N 2.91Å
218	K	90	Very high	87.2	Confident	130 Å²	130	84.6 Å²	84.6	57%	0.565	43%	0.426	S	S	*	.	H	α-helix	trans	-58.9	-48.3	173.9	-175.7	-176.6	175.4	-174.2	0	111.9	A214 E215 Q216 T220 I221 E222	A214-K218 WeakPolarHBondContact O-CB 3.47Å; A214-K218 PolarHBondContact O-N 3.36Å; E215-K218 PolarHBondContact O-N 3.45Å; Q216-K218 VanDerWaalsContact C-N 3.26Å; Q216-K218 PolarHBondContact O-N 2.86Å; K218-T220 PolarHBondContact O-N 3.39Å; K218-I221 PolarHBondContact O-N 2.91Å; K218-E222 WeakPolarHBondContact CE-OE1 3.48Å; K218-E222 WeakPolarHBondContact O-CG 3.44Å; K218-E222 PolarHBondContact O-N 3.48Å
219	T	80.4	Confident	87.6	Confident	63 Å²	63	83.4 Å²	83.4	39%	0.387	42%	0.42	S	S	.	.	H	α-helix	trans	-62.9	-42.6	179.3	-56.4	0	0	0	0	111.6	E215 Q216 E222 G223	E215-T219 PolarHBondContact O-N 3.08Å; E215-T219 PolarHBondContact O-OG1 3.39Å; Q216-T219 PolarHBondContact O-N 2.86Å; Q216-T219 VanDerWaalsContact O-N 3.13Å; T219-E222 PolarHBondContact O-N 2.62Å; T219-G223 PolarHBondContact O-N 3.41Å
220	T	82.3	Confident	88	Confident	61 Å²	61	85 Å²	85	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-60.7	-47.5	175	-58.6	0	0	0	0	111.1	Q216 N217 K218 E222 G223 L224	Q216-T220 PolarHBondContact NE2-OG1 3.45Å; Q216-T220 PolarHBondContact O-N 3.2Å; Q216-T220 PolarHBondContact O-OG1 3.19Å; Q216-T220 VanDerWaalsContact O-OG1 3.08Å; N217-T220 PolarHBondContact O-N 3.12Å; K218-T220 PolarHBondContact O-N 3.39Å; T220-E222 PolarHBondContact O-N 3.16Å; T220-G223 PolarHBondContact O-N 3.4Å; T220-L224 HydrophobicContact CG2-CD1 4.06Å; T220-L224 HydrophobicContact CG2-CG 4.43Å; T220-L224 WeakPolarHBondContact O-CG 3.17Å; T220-L224 PolarHBondContact O-N 3.17Å
221	I	91.2	Very high	88.4	Confident	94 Å²	94	86.2 Å²	86.2	48%	0.482	42%	0.423	S	S	.	.	H	α-helix	trans	-60.2	-45	177.9	-70.9	163.7	0	0	0	110.7	N217 K218 G223 L224 L225	N217-I221 WeakPolarHBondContact O-CB 3.28Å; N217-I221 WeakPolarHBondContact O-CD1 3.3Å; N217-I221 WeakPolarHBondContact O-CG1 3.25Å; N217-I221 PolarHBondContact O-N 2.91Å; K218-I221 PolarHBondContact O-N 2.91Å; I221-G223 VanDerWaalsContact C-N 3.3Å; I221-G223 PolarHBondContact O-N 2.85Å; I221-L224 PolarHBondContact O-N 3.39Å; I221-L225 HydrophobicContact CG2-CD1 3.92Å; I221-L225 HydrophobicContact CG2-CG 4.22Å; I221-L225 WeakPolarHBondContact O-CB 3.27Å; I221-L225 VanDerWaalsContact O-CG 3.27Å; I221-L225 WeakPolarHBondContact O-CG 3.17Å; I221-L225 PolarHBondContact O-N 3.38Å
222	E	89.8	Confident	88.6	Confident	77 Å²	77	89.1 Å²	89.1	36%	0.36	43%	0.43	S	S	.	.	H	α-helix	trans	-60.4	-39.2	176.2	-74.2	-178.7	-163.6	0	0	112.5	K218 T219 T220 R226	K218-E222 WeakPolarHBondContact CE-OE1 3.48Å; K218-E222 WeakPolarHBondContact O-CG 3.44Å; K218-E222 PolarHBondContact O-N 3.48Å; T219-E222 PolarHBondContact O-N 2.62Å; T220-E222 PolarHBondContact O-N 3.16Å; E222-R226 WeakPolarHBondContact O-CG 3.44Å; E222-R226 PolarHBondContact O-N 2.86Å; E222-R226 VanDerWaalsContact O-N 3.16Å; E222-R226 IonicContact OE2-NH2 3.66Å; E222-R226 PolarHBondContact OE2-NH2 3.2Å
223	G	83.5	Confident	89.3	Confident	22 Å²	22	91.7 Å²	91.7	23%	0.227	44%	0.444	C	S	.	.	H	α-helix	trans	-61.1	-49.9	172.8	0	0	0	0	0	112.2	T219 T220 I221 L225 R226 E227	T219-G223 PolarHBondContact O-N 3.41Å; T220-G223 PolarHBondContact O-N 3.4Å; I221-G223 VanDerWaalsContact C-N 3.3Å; I221-G223 PolarHBondContact O-N 2.85Å; G223-L225 VanDerWaalsContact C-N 3.32Å; G223-L225 PolarHBondContact O-N 2.93Å; G223-R226 PolarHBondContact O-N 3.49Å; G223-E227 PolarHBondContact O-N 3.03Å
224	L	89.8	Confident	89.8	Confident	86 Å²	86	92 Å²	92	45%	0.45	44%	0.444	S	S	.	.	H	α-helix	trans	-62.3	-37.2	178.8	-69.1	173.2	0	0	0	112.5	T220 I221 E227 R228	T220-L224 HydrophobicContact CG2-CD1 4.06Å; T220-L224 HydrophobicContact CG2-CG 4.43Å; T220-L224 WeakPolarHBondContact O-CG 3.17Å; T220-L224 PolarHBondContact O-N 3.17Å; I221-L224 PolarHBondContact O-N 3.39Å; L224-E227 PolarHBondContact O-N 2.92Å; L224-R228 VanDerWaalsContact O-CB 3.3Å; L224-R228 WeakPolarHBondContact O-CB 3.35Å; L224-R228 PolarHBondContact O-N 3.03Å
225	L	92.6	Very high	90.1	Very high	71 Å²	71	93.3 Å²	93.3	37%	0.372	44%	0.442	S	S	.	.	H	α-helix	trans	-65.2	-42.2	175.3	-71.2	173.5	0	0	0	111.7	I221 G223 E227 R228 D229	I221-L225 HydrophobicContact CG2-CD1 3.92Å; I221-L225 HydrophobicContact CG2-CG 4.22Å; I221-L225 WeakPolarHBondContact O-CB 3.27Å; I221-L225 VanDerWaalsContact O-CG 3.27Å; I221-L225 WeakPolarHBondContact O-CG 3.17Å; I221-L225 PolarHBondContact O-N 3.38Å; G223-L225 VanDerWaalsContact C-N 3.32Å; G223-L225 PolarHBondContact O-N 2.93Å; L225-E227 VanDerWaalsContact C-N 3.34Å; L225-E227 PolarHBondContact O-N 3.46Å; L225-R228 PolarHBondContact O-N 3.23Å; L225-D229 WeakPolarHBondContact O-CB 3.39Å; L225-D229 PolarHBondContact O-N 3.3Å
226	R	90.2	Very high	90.6	Very high	159 Å²	159	92.9 Å²	92.9	60%	0.6	44%	0.436	S	S	*	.	H	α-helix	trans	-62.3	-42	174.7	-70.1	-177.3	-161.8	100.1	5	111.8	E222 G223 D229 F230	E222-R226 WeakPolarHBondContact O-CG 3.44Å; E222-R226 PolarHBondContact O-N 2.86Å; E222-R226 VanDerWaalsContact O-N 3.16Å; E222-R226 IonicContact OE2-NH2 3.66Å; E222-R226 PolarHBondContact OE2-NH2 3.2Å; G223-R226 PolarHBondContact O-N 3.49Å; R226-D229 PolarHBondContact O-N 3.19Å; R226-F230 VanDerWaalsContact O-CB 3.3Å; R226-F230 WeakPolarHBondContact O-CB 3.41Å; R226-F230 PolarHBondContact O-N 3.39Å
227	E	91.6	Very high	91.4	Very high	70 Å²	70	93.2 Å²	93.2	33%	0.327	45%	0.445	S	S	.	.	H	α-helix	trans	-65.2	-46.8	176.3	-72.3	-177.1	178.9	0	0	111.6	S14 G223 L224 L225 D229 F230 Y231	S14-E227 WeakPolarHBondContact CB-OE1 3.48Å; S14-E227 WeakPolarHBondContact CB-OE2 3.46Å; S14-E227 PolarHBondContact OG-OE1 3.43Å; S14-E227 PolarHBondContact OG-OE2 2.61Å; G223-E227 PolarHBondContact O-N 3.03Å; L224-E227 PolarHBondContact O-N 2.92Å; L225-E227 VanDerWaalsContact C-N 3.34Å; L225-E227 PolarHBondContact O-N 3.46Å; E227-D229 VanDerWaalsContact C-N 3.3Å; E227-D229 PolarHBondContact O-N 3.11Å; E227-F230 WeakPolarHBondContact O-CB 3.3Å; E227-F230 PolarHBondContact O-N 2.89Å; E227-Y231 HydrophobicContact CB-CD2 4.48Å; E227-Y231 HydrophobicContact CB-CE2 4.27Å; E227-Y231 WeakPolarHBondContact O-CD2 3.36Å; E227-Y231 PolarHBondContact O-N 3.44Å
228	R	94.3	Very high	91.9	Very high	143 Å²	143	92.9 Å²	92.9	54%	0.54	44%	0.442	S	S	.	.	H	α-helix	trans	-52.4	-50	173.4	179.8	-154.3	67.4	-176.2	-2.6	110.7	L224 L225 F230 Y231 F232	L224-R228 VanDerWaalsContact O-CB 3.3Å; L224-R228 WeakPolarHBondContact O-CB 3.35Å; L224-R228 PolarHBondContact O-N 3.03Å; L225-R228 PolarHBondContact O-N 3.23Å; R228-F230 PolarHBondContact O-N 2.92Å; R228-Y231 PolarHBondContact O-N 3.37Å; R228-F232 WeakPolarHBondContact O-CB 3.47Å; R228-F232 PolarHBondContact O-N 3.34Å
229	D	93.2	Very high	92.1	Very high	65 Å²	65	88.4 Å²	88.4	35%	0.348	42%	0.423	S	S	.	.	H	α-helix	trans	-66.3	-38.3	-179	-67.4	-11.9	0	0	0	111.9	L225 R226 E227 N233	L225-D229 WeakPolarHBondContact O-CB 3.39Å; L225-D229 PolarHBondContact O-N 3.3Å; R226-D229 PolarHBondContact O-N 3.19Å; E227-D229 VanDerWaalsContact C-N 3.3Å; E227-D229 PolarHBondContact O-N 3.11Å; D229-N233 WeakPolarHBondContact O-CB 3.49Å; D229-N233 VanDerWaalsContact O-CG 3.25Å; D229-N233 PolarHBondContact O-N 3.2Å; D229-N233 PolarHBondContact O-ND2 2.83Å
230	F	94	Very high	92.9	Very high	110 Å²	110	88.7 Å²	88.7	48%	0.482	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-47.8	175.5	175.3	-98.3	0	0	0	112	R226 E227 R228 K234	R226-F230 VanDerWaalsContact O-CB 3.3Å; R226-F230 WeakPolarHBondContact O-CB 3.41Å; R226-F230 PolarHBondContact O-N 3.39Å; E227-F230 WeakPolarHBondContact O-CB 3.3Å; E227-F230 PolarHBondContact O-N 2.89Å; R228-F230 PolarHBondContact O-N 2.92Å; F230-K234 HydrophobicContact CD1-CD 4.38Å; F230-K234 HydrophobicContact CE1-CD 3.95Å; F230-K234 HydrophobicContact CZ-CD 4.21Å; F230-K234 WeakPolarHBondContact O-CG 3.05Å; F230-K234 PolarHBondContact O-N 2.93Å
231	Y	95.9	Very high	93.5	Very high	135 Å²	135	90.5 Å²	90.5	53%	0.529	43%	0.428	S	S	.	.	H	α-helix	trans	-70.7	-40.2	178	-67.6	-60.6	0	0	0	112	E227 R228 N233 K234 L235	E227-Y231 HydrophobicContact CB-CD2 4.48Å; E227-Y231 HydrophobicContact CB-CE2 4.27Å; E227-Y231 WeakPolarHBondContact O-CD2 3.36Å; E227-Y231 PolarHBondContact O-N 3.44Å; R228-Y231 PolarHBondContact O-N 3.37Å; Y231-N233 PolarHBondContact O-N 3.26Å; Y231-K234 WeakPolarHBondContact O-CB 3.5Å; Y231-K234 PolarHBondContact O-N 3.39Å; Y231-L235 WeakPolarHBondContact O-CG 3.42Å; Y231-L235 PolarHBondContact O-N 2.76Å
232	F	94.8	Very high	93.7	Very high	129 Å²	129	86.3 Å²	86.3	57%	0.566	41%	0.407	S	S	*	.	H	α-helix	trans	-56.8	-48.3	174.6	179.4	-95.9	0	0	0	111.5	R228 K234 L235 R236	R228-F232 WeakPolarHBondContact O-CB 3.47Å; R228-F232 PolarHBondContact O-N 3.34Å; F232-K234 VanDerWaalsContact C-N 3.3Å; F232-K234 PolarHBondContact O-N 2.94Å; F232-L235 PolarHBondContact O-N 2.83Å; F232-R236 VanDerWaalsContact O-CB 3.26Å; F232-R236 WeakPolarHBondContact O-CB 3.26Å; F232-R236 PolarHBondContact O-N 3.32Å
233	N	96.2	Very high	93.8	Very high	98 Å²	98	85.8 Å²	85.8	52%	0.524	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-36.3	178.6	-75.8	-43.5	0	0	0	112.8	D229 Y231 S237	D229-N233 WeakPolarHBondContact O-CB 3.49Å; D229-N233 VanDerWaalsContact O-CG 3.25Å; D229-N233 PolarHBondContact O-N 3.2Å; D229-N233 PolarHBondContact O-ND2 2.83Å; Y231-N233 PolarHBondContact O-N 3.26Å; N233-S237 WeakPolarHBondContact O-CB 3.44Å; N233-S237 PolarHBondContact O-N 2.98Å; N233-S237 PolarHBondContact O-OG 3.32Å
234	K	96.8	Very high	94.4	Very high	108 Å²	108	91.7 Å²	91.7	47%	0.47	43%	0.426	S	S	.	.	H	α-helix	trans	-65.4	-49.7	173.8	-74.8	180	-179.8	-67.9	0	111.7	F230 Y231 F232 R236 S237 I238	F230-K234 HydrophobicContact CD1-CD 4.38Å; F230-K234 HydrophobicContact CE1-CD 3.95Å; F230-K234 HydrophobicContact CZ-CD 4.21Å; F230-K234 WeakPolarHBondContact O-CG 3.05Å; F230-K234 PolarHBondContact O-N 2.93Å; Y231-K234 WeakPolarHBondContact O-CB 3.5Å; Y231-K234 PolarHBondContact O-N 3.39Å; F232-K234 VanDerWaalsContact C-N 3.3Å; F232-K234 PolarHBondContact O-N 2.94Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 3.17Å; K234-S237 WeakPolarHBondContact O-CB 3.45Å; K234-S237 PolarHBondContact O-N 2.96Å; K234-I238 WeakPolarHBondContact O-CG1 3.37Å; K234-I238 PolarHBondContact O-N 2.85Å
235	L	96.2	Very high	94.5	Very high	89 Å²	89	91.4 Å²	91.4	47%	0.466	43%	0.425	S	S	.	.	H	α-helix	trans	-63	-40.6	179.2	-66.9	172	0	0	0	111.2	Y231 F232 S237 I238 E239 L258	Y231-L235 WeakPolarHBondContact O-CG 3.42Å; Y231-L235 PolarHBondContact O-N 2.76Å; F232-L235 PolarHBondContact O-N 2.83Å; L235-S237 PolarHBondContact O-N 3.22Å; L235-I238 WeakPolarHBondContact O-CB 3.33Å; L235-I238 PolarHBondContact O-N 3.23Å; L235-E239 WeakPolarHBondContact O-CB 3.3Å; L235-E239 PolarHBondContact O-N 3.22Å; L235-L258 HydrophobicContact CB-CD2 4.11Å; L235-L258 HydrophobicContact CD2-CD2 3.68Å; L235-L258 HydrophobicContact CG-CD2 4.42Å
236	R	95.1	Very high	94.4	Very high	102 Å²	102	96.1 Å²	96.1	39%	0.385	44%	0.438	S	S	.	.	H	α-helix	trans	-62.7	-40.3	174.4	-175.1	58.2	178.4	150.3	3.2	112.4	F232 K234 E239 I240	F232-R236 VanDerWaalsContact O-CB 3.26Å; F232-R236 WeakPolarHBondContact O-CB 3.26Å; F232-R236 PolarHBondContact O-N 3.32Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 3.17Å; R236-E239 VanDerWaalsContact CD-OE2 3.3Å; R236-E239 WeakPolarHBondContact CD-OE2 3.35Å; R236-E239 IonicContact CZ-OE2 2.68Å; R236-E239 IonicContact NE-OE2 2.61Å; R236-E239 IonicContact NH1-OE1 2.85Å; R236-E239 IonicContact NH1-OE2 3.65Å; R236-E239 PolarHBondContact NH1-OE2 2.8Å; R236-E239 WeakPolarHBondContact O-CB 3.21Å; R236-E239 PolarHBondContact O-N 3.01Å; R236-I240 HydrophobicContact CG-CD1 4.35Å; R236-I240 WeakPolarHBondContact O-CG1 3.48Å; R236-I240 PolarHBondContact O-N 3.44Å
237	S	96.7	Very high	94.3	Very high	65 Å²	65	98.4 Å²	98.4	46%	0.455	45%	0.452	S	S	.	.	H	α-helix	trans	-63.6	-42	174.7	-58.7	0	0	0	0	111.7	N233 K234 L235 E239 I240 I241	N233-S237 WeakPolarHBondContact O-CB 3.44Å; N233-S237 PolarHBondContact O-N 2.98Å; N233-S237 PolarHBondContact O-OG 3.32Å; K234-S237 WeakPolarHBondContact O-CB 3.45Å; K234-S237 PolarHBondContact O-N 2.96Å; L235-S237 PolarHBondContact O-N 3.22Å; S237-E239 VanDerWaalsContact C-N 3.34Å; S237-I240 PolarHBondContact O-N 3.45Å; S237-I241 WeakPolarHBondContact O-CG1 3.47Å; S237-I241 PolarHBondContact O-N 3.25Å; S237-I241 VanDerWaalsContact O-N 3.17Å
238	I	95.7	Very high	94.3	Very high	74 Å²	74	98.8 Å²	98.8	38%	0.379	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-43.3	175	-67.7	166.1	0	0	0	110.6	K234 L235 I241 C242 I254 L258	K234-I238 WeakPolarHBondContact O-CG1 3.37Å; K234-I238 PolarHBondContact O-N 2.85Å; L235-I238 WeakPolarHBondContact O-CB 3.33Å; L235-I238 PolarHBondContact O-N 3.23Å; I238-I241 PolarHBondContact O-N 3.43Å; I238-C242 PolarHBondContact O-N 3.01Å; I238-C242 PolarHBondContact O-SG 3.47Å; I238-I254 HydrophobicContact CG2-CG2 3.81Å; I238-L258 HydrophobicContact CG2-CD1 4.43Å
239	E	94.8	Very high	94	Very high	35 Å²	35	97.4 Å²	97.4	16%	0.164	46%	0.462	C	S	.	.	H	α-helix	trans	-58.9	-47.9	178	-168.4	-171.7	-173.1	0	0	111.5	L235 R236 S237 I241 C242 Q243 F255 L258 Y259	L235-E239 WeakPolarHBondContact O-CB 3.3Å; L235-E239 PolarHBondContact O-N 3.22Å; R236-E239 VanDerWaalsContact CD-OE2 3.3Å; R236-E239 WeakPolarHBondContact CD-OE2 3.35Å; R236-E239 IonicContact CZ-OE2 2.68Å; R236-E239 IonicContact NE-OE2 2.61Å; R236-E239 IonicContact NH1-OE1 2.85Å; R236-E239 IonicContact NH1-OE2 3.65Å; R236-E239 PolarHBondContact NH1-OE2 2.8Å; R236-E239 WeakPolarHBondContact O-CB 3.21Å; R236-E239 PolarHBondContact O-N 3.01Å; S237-E239 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 2.68Å; E239-C242 PolarHBondContact O-N 2.6Å; E239-C242 VanDerWaalsContact O-N 3.17Å; E239-Q243 VanDerWaalsContact O-CG 3.32Å; E239-Q243 WeakPolarHBondContact O-CG 3.47Å; E239-Q243 PolarHBondContact O-N 3.19Å; E239-Q243 PolarHBondContact OE1-NE2 3.36Å; E239-F255 HydrophobicContact CG-CE1 4.1Å; E239-L258 HydrophobicContact CB-CD1 3.92Å; E239-L258 HydrophobicContact CG-CD1 4.2Å; E239-Y259 PolarHBondContact OE1-OH 3.48Å
240	I	95.6	Very high	94	Very high	70 Å²	70	99.8 Å²	99.8	36%	0.359	47%	0.474	S	S	.	.	H	α-helix	trans	-57.5	-48.3	177.3	-69	165.5	0	0	0	110.6	R236 S237 C242 Q243 E244	R236-I240 HydrophobicContact CG-CD1 4.35Å; R236-I240 WeakPolarHBondContact O-CG1 3.48Å; R236-I240 PolarHBondContact O-N 3.44Å; S237-I240 PolarHBondContact O-N 3.45Å; I240-C242 VanDerWaalsContact C-N 3.3Å; I240-C242 PolarHBondContact O-N 2.81Å; I240-Q243 PolarHBondContact O-N 3.46Å; I240-Q243 VanDerWaalsContact O-N 3.14Å; I240-E244 WeakPolarHBondContact O-CG 3.32Å; I240-E244 PolarHBondContact O-N 3.04Å
241	I	95.3	Very high	94	Very high	98 Å²	98	95 Å²	95	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-59.8	-42	178.1	-66.7	166.2	0	0	0	111	S237 I238 E239 E244 N245	S237-I241 WeakPolarHBondContact O-CG1 3.47Å; S237-I241 PolarHBondContact O-N 3.25Å; S237-I241 VanDerWaalsContact O-N 3.17Å; I238-I241 PolarHBondContact O-N 3.43Å; E239-I241 PolarHBondContact O-N 2.68Å; I241-E244 PolarHBondContact O-N 3.26Å; I241-N245 WeakPolarHBondContact O-CB 3.37Å; I241-N245 PolarHBondContact O-N 2.88Å; I241-N245 PolarHBondContact O-ND2 3.17Å
242	C	95	Very high	93.7	Very high	6 Å²	6	94.2 Å²	94.2	4%	0.041	45%	0.454	C	S	.	.	H	α-helix	trans	-66.8	-37.3	177.9	-66.6	0	0	0	0	112	I238 E239 I240 E244 N245 R246 T251 F255	I238-C242 PolarHBondContact O-N 3.01Å; I238-C242 PolarHBondContact O-SG 3.47Å; E239-C242 PolarHBondContact O-N 2.6Å; E239-C242 VanDerWaalsContact O-N 3.17Å; I240-C242 VanDerWaalsContact C-N 3.3Å; I240-C242 PolarHBondContact O-N 2.81Å; C242-E244 VanDerWaalsContact C-N 3.31Å; C242-E244 PolarHBondContact O-N 3.14Å; C242-N245 CarbonylContact O-C 3.56Å; C242-N245 PolarHBondContact O-N 3.35Å; C242-N245 VanDerWaalsContact O-N 3.16Å; C242-R246 PolarHBondContact O-N 3.16Å; C242-T251 HydrophobicContact CB-CG2 4.14Å; C242-F255 HydrophobicContact CB-CE1 4Å; C242-F255 HydrophobicContact CB-CE2 3.86Å; C242-F255 HydrophobicContact CB-CZ 3.52Å
243	Q	93.5	Very high	93.6	Very high	67 Å²	67	91 Å²	91	31%	0.313	45%	0.447	S	S	.	.	H	α-helix	trans	-65.6	-32.8	176.6	-72.3	-179.5	2.9	0	0	112.6	E239 I240 N245 R246 F255	E239-Q243 VanDerWaalsContact O-CG 3.32Å; E239-Q243 WeakPolarHBondContact O-CG 3.47Å; E239-Q243 PolarHBondContact O-N 3.19Å; E239-Q243 PolarHBondContact OE1-NE2 3.36Å; I240-Q243 PolarHBondContact O-N 3.46Å; I240-Q243 VanDerWaalsContact O-N 3.14Å; Q243-N245 VanDerWaalsContact C-N 3.34Å; Q243-R246 WeakPolarHBondContact O-CG 3.39Å; Q243-R246 PolarHBondContact O-NE 3.45Å; Q243-F255 HydrophobicContact CG-CE1 4.08Å; Q243-F255 HydrophobicContact CG-CZ 3.76Å
244	E	94.7	Very high	93.5	Very high	146 Å²	146	88.5 Å²	88.5	68%	0.682	43%	0.433	S	S	*	.	H	α-helix	trans	-74.5	-23.6	173.8	-68.4	175.4	171.7	0	0	112.6	I240 I241 C242	I240-E244 WeakPolarHBondContact O-CG 3.32Å; I240-E244 PolarHBondContact O-N 3.04Å; I241-E244 PolarHBondContact O-N 3.26Å; C242-E244 VanDerWaalsContact C-N 3.31Å; C242-E244 PolarHBondContact O-N 3.14Å
245	N	93.5	Very high	93.3	Very high	79 Å²	79	85.1 Å²	85.1	42%	0.422	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	27.7	-172.3	-68.5	-84.1	0	0	0	114.4	I241 C242 Q243 K247 V248 T251	I241-N245 WeakPolarHBondContact O-CB 3.37Å; I241-N245 PolarHBondContact O-N 2.88Å; I241-N245 PolarHBondContact O-ND2 3.17Å; C242-N245 CarbonylContact O-C 3.56Å; C242-N245 PolarHBondContact O-N 3.35Å; C242-N245 VanDerWaalsContact O-N 3.16Å; Q243-N245 VanDerWaalsContact C-N 3.34Å; N245-K247 PolarHBondContact O-N 3.14Å; N245-V248 PolarHBondContact O-N 2.95Å; N245-T251 HydrophobicContact CB-CG2 4.21Å; N245-T251 WeakPolarHBondContact O-CG2 3.48Å
246	R	88.8	Confident	93.1	Very high	170 Å²	170	87.7 Å²	87.7	64%	0.642	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-17.8	-172.8	-72.4	176.3	-171.8	-140.5	0.6	117.2	C242 Q243 V248	C242-R246 PolarHBondContact O-N 3.16Å; Q243-R246 WeakPolarHBondContact O-CG 3.39Å; Q243-R246 PolarHBondContact O-NE 3.45Å; R246-V248 VanDerWaalsContact C-N 3.33Å
247	K	88.6	Confident	93	Very high	208 Å²	208	89 Å²	89	90%	0.904	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.1	-179.8	-62.9	-177.4	-177.4	177.4	0	113.2	N245	N245-K247 PolarHBondContact O-N 3.14Å
248	V	91.3	Very high	92.8	Very high	77 Å²	77	88 Å²	88	47%	0.467	43%	0.431	S	S	.	.	S	Bend	trans	-85.3	123.2	179.3	-177.5	0	0	0	0	108.8	N245 R246 L250 T251	N245-V248 PolarHBondContact O-N 2.95Å; R246-V248 VanDerWaalsContact C-N 3.33Å; V248-L250 HydrophobicContact CG1-CB 3.99Å; V248-L250 PolarHBondContact O-N 3.39Å; V248-L250 VanDerWaalsContact O-N 3.12Å; V248-T251 HydrophobicContact CB-CG2 4.24Å; V248-T251 WeakPolarHBondContact O-CB 3.5Å; V248-T251 PolarHBondContact O-N 3.25Å; V248-T251 PolarHBondContact O-OG1 3.18Å
249	D	89.2	Confident	92.5	Very high	114 Å²	114	90.7 Å²	90.7	61%	0.61	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.8	-176.4	-76.3	-43.5	0	0	0	113.2	T251 K252	D249-T251 PolarHBondContact O-N 3.05Å; D249-K252 WeakPolarHBondContact O-CB 3.42Å; D249-K252 PolarHBondContact O-N 3.21Å; D249-K252 VanDerWaalsContact O-N 3.11Å; D249-K252 IonicContact OD1-NZ 2.65Å; D249-K252 PolarHBondContact OD1-NZ 3.01Å
250	L	92	Very high	92.2	Very high	115 Å²	115	92.6 Å²	92.6	60%	0.602	46%	0.459	S	S	*	.	H	α-helix	trans	-56.3	-32.4	174.5	-176.5	62.4	0	0	0	113.4	V248 K252 S253 I254	V248-L250 HydrophobicContact CG1-CB 3.99Å; V248-L250 PolarHBondContact O-N 3.39Å; V248-L250 VanDerWaalsContact O-N 3.12Å; L250-K252 PolarHBondContact O-N 3.34Å; L250-S253 PolarHBondContact O-N 3.37Å; L250-I254 HydrophobicContact CG-CD1 4.12Å; L250-I254 WeakPolarHBondContact O-CG1 3.33Å; L250-I254 PolarHBondContact O-N 3.25Å
251	T	93.9	Very high	91.6	Very high	10 Å²	10	93.8 Å²	93.8	6%	0.061	47%	0.469	C	S	.	.	H	α-helix	trans	-63	-29.7	179.4	59.4	0	0	0	0	112.7	C242 N245 V248 D249 I254 F255	C242-T251 HydrophobicContact CB-CG2 4.14Å; N245-T251 HydrophobicContact CB-CG2 4.21Å; N245-T251 WeakPolarHBondContact O-CG2 3.48Å; V248-T251 HydrophobicContact CB-CG2 4.24Å; V248-T251 WeakPolarHBondContact O-CB 3.5Å; V248-T251 PolarHBondContact O-N 3.25Å; V248-T251 PolarHBondContact O-OG1 3.18Å; D249-T251 PolarHBondContact O-N 3.05Å; T251-I254 PolarHBondContact O-N 2.87Å; T251-F255 WeakPolarHBondContact O-CD2 3.32Å; T251-F255 PolarHBondContact O-N 3.11Å
252	K	90.9	Very high	90.7	Very high	119 Å²	119	97 Å²	97	52%	0.517	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-48.6	177.7	-63.9	172.5	-176.6	155.2	0	110.7	D249 L250 I254 F255 E256	D249-K252 WeakPolarHBondContact O-CB 3.42Å; D249-K252 PolarHBondContact O-N 3.21Å; D249-K252 VanDerWaalsContact O-N 3.11Å; D249-K252 IonicContact OD1-NZ 2.65Å; D249-K252 PolarHBondContact OD1-NZ 3.01Å; L250-K252 PolarHBondContact O-N 3.34Å; K252-I254 VanDerWaalsContact C-N 3.27Å; K252-I254 PolarHBondContact O-N 2.96Å; K252-F255 PolarHBondContact O-N 2.65Å; K252-E256 PolarHBondContact O-N 3.02Å
253	S	92.7	Very high	89.2	Confident	60 Å²	60	105.4 Å²	105.4	42%	0.42	53%	0.527	S	S	.	.	H	α-helix	trans	-63.1	-32.2	177.1	-55.5	0	0	0	0	112.7	L250 I257	L250-S253 PolarHBondContact O-N 3.37Å; S253-I257 WeakPolarHBondContact O-CG1 3.49Å; S253-I257 PolarHBondContact O-N 2.99Å
254	I	94.5	Very high	87.7	Confident	47 Å²	47	106.2 Å²	106.2	24%	0.241	55%	0.553	C	S	.	*	H	α-helix	trans	-69.9	-43.2	175	-63	168.9	0	0	0	110.8	I238 L250 T251 K252 E256 I257 L258	I238-I254 HydrophobicContact CG2-CG2 3.81Å; L250-I254 HydrophobicContact CG-CD1 4.12Å; L250-I254 WeakPolarHBondContact O-CG1 3.33Å; L250-I254 PolarHBondContact O-N 3.25Å; T251-I254 PolarHBondContact O-N 2.87Å; K252-I254 VanDerWaalsContact C-N 3.27Å; K252-I254 PolarHBondContact O-N 2.96Å; I254-E256 VanDerWaalsContact C-N 3.32Å; I254-E256 PolarHBondContact O-N 2.83Å; I254-I257 WeakPolarHBondContact O-CB 3.42Å; I254-I257 PolarHBondContact O-N 3.28Å; I254-I257 VanDerWaalsContact O-N 3.14Å; I254-L258 HydrophobicContact CG2-CD1 4Å; I254-L258 HydrophobicContact CG2-CG 4.21Å; I254-L258 WeakPolarHBondContact O-CG 3.09Å; I254-L258 PolarHBondContact O-N 3.11Å
255	F	92.5	Very high	86.2	Confident	36 Å²	36	106.6 Å²	106.6	16%	0.158	55%	0.553	C	S	.	*	H	α-helix	trans	-62.7	-37.9	176.2	-75.2	-56.5	0	0	0	112.7	E239 C242 Q243 T251 K252 I257 L258 Y259	E239-F255 HydrophobicContact CG-CE1 4.1Å; C242-F255 HydrophobicContact CB-CE1 4Å; C242-F255 HydrophobicContact CB-CE2 3.86Å; C242-F255 HydrophobicContact CB-CZ 3.52Å; Q243-F255 HydrophobicContact CG-CE1 4.08Å; Q243-F255 HydrophobicContact CG-CZ 3.76Å; T251-F255 WeakPolarHBondContact O-CD2 3.32Å; T251-F255 PolarHBondContact O-N 3.11Å; K252-F255 PolarHBondContact O-N 2.65Å; F255-I257 PolarHBondContact O-N 3.31Å; F255-L258 HydrophobicContact CD1-CD1 4.43Å; F255-L258 PolarHBondContact O-N 3.34Å; F255-Y259 HydrophobicContact CB-CD2 4.13Å; F255-Y259 HydrophobicContact CB-CE2 4.03Å; F255-Y259 HydrophobicContact CD1-CD2 4.31Å; F255-Y259 AromaticContact CD1-CE2 3.46Å; F255-Y259 HydrophobicContact CD1-CE2 3.46Å; F255-Y259 VanDerWaalsContact CD1-CE2 3.46Å; F255-Y259 AromaticContact CD1-CZ 3.83Å; F255-Y259 HydrophobicContact CE1-CE2 4.25Å; F255-Y259 HydrophobicContact CG-CE2 4.07Å; F255-Y259 WeakPolarHBondContact O-CB 3.45Å; F255-Y259 VanDerWaalsContact O-CD2 3.32Å; F255-Y259 WeakPolarHBondContact O-CD2 3.41Å; F255-Y259 PolarHBondContact O-N 2.99Å
256	E	91.4	Very high	84.6	Confident	143 Å²	143	109 Å²	109	67%	0.668	57%	0.571	S	S	*	*	H	α-helix	trans	-57	-39.5	173	-74.2	174.6	179.2	0	0	111.8	K252 I254 A260	K252-E256 PolarHBondContact O-N 3.02Å; I254-E256 VanDerWaalsContact C-N 3.32Å; I254-E256 PolarHBondContact O-N 2.83Å; E256-A260 WeakPolarHBondContact O-CB 3.5Å; E256-A260 PolarHBondContact O-N 3.46Å
257	I	92.5	Very high	83.1	Confident	131 Å²	131	103.8 Å²	103.8	67%	0.672	56%	0.564	S	S	*	*	H	α-helix	trans	-70.9	-46.3	176	-64	166.6	0	0	0	111.2	S253 I254 F255 Y259 A260	S253-I257 WeakPolarHBondContact O-CG1 3.49Å; S253-I257 PolarHBondContact O-N 2.99Å; I254-I257 WeakPolarHBondContact O-CB 3.42Å; I254-I257 PolarHBondContact O-N 3.28Å; I254-I257 VanDerWaalsContact O-N 3.14Å; F255-I257 PolarHBondContact O-N 3.31Å; I257-Y259 VanDerWaalsContact C-N 3.28Å; I257-Y259 PolarHBondContact O-N 3.35Å; I257-A260 PolarHBondContact O-N 3.19Å
258	L	92.1	Very high	81.8	Confident	44 Å²	44	99.6 Å²	99.6	23%	0.23	56%	0.558	C	S	.	*	H	α-helix	trans	-65.1	-31.8	-175.7	-71.4	177.5	0	0	0	113.2	L235 I238 E239 I254 F255	L235-L258 HydrophobicContact CB-CD2 4.11Å; L235-L258 HydrophobicContact CD2-CD2 3.68Å; L235-L258 HydrophobicContact CG-CD2 4.42Å; I238-L258 HydrophobicContact CG2-CD1 4.43Å; E239-L258 HydrophobicContact CB-CD1 3.92Å; E239-L258 HydrophobicContact CG-CD1 4.2Å; I254-L258 HydrophobicContact CG2-CD1 4Å; I254-L258 HydrophobicContact CG2-CG 4.21Å; I254-L258 WeakPolarHBondContact O-CG 3.09Å; I254-L258 PolarHBondContact O-N 3.11Å; F255-L258 HydrophobicContact CD1-CD1 4.43Å; F255-L258 PolarHBondContact O-N 3.34Å
259	Y	89.9	Confident	80	Confident	130 Å²	130	105 Å²	105	51%	0.51	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.6	6.4	-177.8	-54.9	-41.6	0	0	0	113.3	E239 F255 I257 T261	E239-Y259 PolarHBondContact OE1-OH 3.48Å; F255-Y259 HydrophobicContact CB-CD2 4.13Å; F255-Y259 HydrophobicContact CB-CE2 4.03Å; F255-Y259 HydrophobicContact CD1-CD2 4.31Å; F255-Y259 AromaticContact CD1-CE2 3.46Å; F255-Y259 HydrophobicContact CD1-CE2 3.46Å; F255-Y259 VanDerWaalsContact CD1-CE2 3.46Å; F255-Y259 AromaticContact CD1-CZ 3.83Å; F255-Y259 HydrophobicContact CE1-CE2 4.25Å; F255-Y259 HydrophobicContact CG-CE2 4.07Å; F255-Y259 WeakPolarHBondContact O-CB 3.45Å; F255-Y259 VanDerWaalsContact O-CD2 3.32Å; F255-Y259 WeakPolarHBondContact O-CD2 3.41Å; F255-Y259 PolarHBondContact O-N 2.99Å; I257-Y259 VanDerWaalsContact C-N 3.28Å; I257-Y259 PolarHBondContact O-N 3.35Å; Y259-T261 PolarHBondContact O-N 3.19Å
260	A	88.8	Confident	78.2	Confident	74 Å²	74	103 Å²	103	61%	0.612	58%	0.584	S	S	*	*			trans	-63.1	132.8	171.9	0	0	0	0	0	110.4	E256 I257	E256-A260 WeakPolarHBondContact O-CB 3.5Å; E256-A260 PolarHBondContact O-N 3.46Å; I257-A260 PolarHBondContact O-N 3.19Å
261	T	82.8	Confident	75.9	Confident	95 Å²	95	106.6 Å²	106.6	58%	0.583	60%	0.598	S	S	*	*			trans	-110.6	133.9	174.1	54.4	0	0	0	0	109.5	Y259	Y259-T261 PolarHBondContact O-N 3.19Å
262	E	76.6	Confident	73.4	Confident	165 Å²	165	114.5 Å²	114.5	77%	0.771	63%	0.634	S	S	*	*			trans	-80.6	151.6	168.1	-72.6	-170.4	160.9	0	0	111	G264 F265	E262-G264 PolarHBondContact O-N 3.35Å; E262-G264 VanDerWaalsContact O-N 3.11Å; E262-F265 WeakPolarHBondContact O-CB 3.43Å; E262-F265 PolarHBondContact O-N 3.11Å
263	D	62.1	Low	71.2	Confident	184 Å²	184	114.3 Å²	114.3	98%	0.984	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	116.1	173.5	-90	-30.3	0	0	0	110
264	G	64	Low	68.8	Low	84 Å²	84	119.8 Å²	119.8	87%	0.866	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.6	-1.9	-175.8	0	0	0	0	0	115.1	E262	E262-G264 PolarHBondContact O-N 3.35Å; E262-G264 VanDerWaalsContact O-N 3.11Å
265	F	62.1	Low	66.6	Low	153 Å²	153	126.7 Å²	126.7	67%	0.671	70%	0.695	S	S	*	*			trans	-105.9	107.8	173.8	-144.2	-89.7	0	0	0	110.6	E262	E262-F265 WeakPolarHBondContact O-CB 3.43Å; E262-F265 PolarHBondContact O-N 3.11Å
266	T	59.2	Low	64.7	Low	130 Å²	130	137.8 Å²	137.8	80%	0.798	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-84.2	121.1	172.4	-29.1	0	0	0	0	108.6
267	A	58.9	Low	63.4	Low	61 Å²	61	137.5 Å²	137.5	50%	0.504	75%	0.748	S	S	.	*	P	Polyproline II helix	trans	-59	133.7	169.4	0	0	0	0	0	108.9	E269	A267-E269 PolarHBondContact O-N 3.12Å
268	P	61.5	Low	61.8	Low	119 Å²	119	137.8 Å²	137.8	77%	0.773	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-58.6	126	171.7	22.9	-29.6	0	0	0	108.1	G270	P268-G270 PolarHBondContact O-N 2.94Å
269	E	53.1	Low	60.1	Low	191 Å²	191	143.1 Å²	143.1	89%	0.893	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-53.8	124.5	173	-70.5	-177.8	170.9	0	0	107.5	A267 E271	A267-E269 PolarHBondContact O-N 3.12Å; E269-E271 PolarHBondContact O-N 3.21Å; E269-E271 VanDerWaalsContact O-N 3.11Å
270	G	51.4	Low	58.4	Low	71 Å²	71	143.8 Å²	143.8	73%	0.732	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-55.9	121.7	179.9	0	0	0	0	0	108.9	P268 E272	P268-G270 PolarHBondContact O-N 2.94Å; G270-E272 VanDerWaalsContact C-N 3.3Å; G270-E272 PolarHBondContact O-N 3.2Å
271	E	42	Very low	56.5	Low	192 Å²	192	148.2 Å²	148.2	90%	0.897	81%	0.808	S	S	*	*			trans	-56.8	101.4	162.7	-74	176.9	169.8	0	0	106.4	E269	E269-E271 PolarHBondContact O-N 3.21Å; E269-E271 VanDerWaalsContact O-N 3.11Å
272	E	43	Very low	54.7	Low	176 Å²	176	151.7 Å²	151.7	82%	0.822	82%	0.823	S	S	*	*			trans	-55.2	129	160.3	-76.2	-160.5	160.1	0	0	106.2	G270 E274	G270-E272 VanDerWaalsContact C-N 3.3Å; G270-E272 PolarHBondContact O-N 3.2Å; E272-E274 PolarHBondContact O-N 3.3Å
273	P	43.2	Very low	53.2	Low	115 Å²	115	150.8 Å²	150.8	75%	0.747	83%	0.827	S	S	*	*			trans	-59.1	119.7	176.8	23.7	-30.1	0	0	0	107.8	E275	P273-E275 PolarHBondContact O-N 2.88Å
274	E	42.8	Very low	52.5	Low	175 Å²	175	148.2 Å²	148.2	82%	0.818	82%	0.815	S	S	*	*			trans	-57.3	103.4	167.6	-75.1	-169.4	165.8	0	0	107.7	E272 F276	E272-E274 PolarHBondContact O-N 3.3Å; E274-F276 PolarHBondContact O-N 2.85Å
275	E	48.2	Very low	51.5	Low	191 Å²	191	153.6 Å²	153.6	89%	0.893	81%	0.811	S	S	*	*			trans	-66.3	114.4	165.4	-74	-169.8	163.4	0	0	107.8	P273	P273-E275 PolarHBondContact O-N 2.88Å
276	F	52.9	Low	50.6	Low	269 Å²	269	153.6 Å²	153.6	100%	1.18	82%	0.823	S	S	*	*			trans	-67.6	0	165.3	-85.4	-87.8	0	0	0	111.8	E274	E274-F276 PolarHBondContact O-N 2.85Å

Retrieved 276 of 276 residues in 50.2 ms (Link to these results)

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