A0A087Y3X1_POEFO Loading...

Regulator of G protein signaling 11

AlphaFold DB , UniProt , Accession A0A087Y3X1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 469 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	32.9	Very low	35.7	Very low	216 Å²	216	119.3 Å²	119.3	100%	1.064	71%	0.705	S	S	*	*				0	108.4	0	-76.8	-166.9	-93.9	0	0	106.5
2	T	35.5	Very low	36.9	Very low	66 Å²	66	119.8 Å²	119.8	41%	0.405	70%	0.695	S	S	.	*			trans	-97.1	137.9	177.2	29.2	0	0	0	0	109.9	Y109 D122	T2-Y109 WeakPolarHBondContact CG2-OH 3.17Å; T2-Y109 PolarHBondContact OG1-OH 3.31Å; T2-Y109 VanDerWaalsContact OG1-OH 3.09Å; T2-D122 WeakPolarHBondContact CG2-OD1 3.34Å
3	I	35	Very low	38.3	Very low	110 Å²	110	116.8 Å²	116.8	56%	0.564	68%	0.683	S	S	*	*			trans	-83.7	121.2	177.9	-65.6	177	0	0	0	108	T5 F159	I3-T5 PolarHBondContact O-N 2.65Å; I3-F159 HydrophobicContact CD1-CE1 4.24Å; I3-F159 HydrophobicContact CD1-CE2 3.95Å; I3-F159 HydrophobicContact CD1-CZ 3.44Å; I3-F159 VanDerWaalsContact CD1-CZ 3.44Å; I3-F159 HydrophobicContact CG1-CZ 4.44Å
4	N	34.8	Very low	39.6	Very low	129 Å²	129	115.3 Å²	115.3	69%	0.69	67%	0.665	S	S	*	*			trans	-69.1	94.4	173	-71.2	-27.5	0	0	0	109.7
5	T	35.3	Very low	41.2	Very low	111 Å²	111	111.9 Å²	111.9	68%	0.681	64%	0.641	S	S	*	*			trans	-95.3	97.9	160	33.1	0	0	0	0	107.9	I3 A7	I3-T5 PolarHBondContact O-N 2.65Å; T5-A7 PolarHBondContact O-N 3.16Å
6	L	32.5	Very low	42.9	Very low	132 Å²	132	108.7 Å²	108.7	69%	0.691	62%	0.62	S	S	*	*			trans	-57.3	104.3	163.3	-92.8	135.9	0	0	0	107.6	K8 W116	L6-K8 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.48Å; L6-W116 HydrophobicContact CD2-CH2 4.43Å; L6-W116 HydrophobicContact CG-CH2 4.4Å
7	A	34	Very low	44.9	Very low	88 Å²	88	107.7 Å²	107.7	73%	0.727	62%	0.621	S	S	*	*			trans	-62.1	98.9	166.3	0	0	0	0	0	107.9	T5 G9	T5-A7 PolarHBondContact O-N 3.16Å; A7-G9 PolarHBondContact O-N 3.47Å; A7-G9 VanDerWaalsContact O-N 3.15Å
8	K	34.4	Very low	47.1	Very low	214 Å²	214	104.1 Å²	104.1	93%	0.93	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	107.8	165.4	-79.5	-177.6	174.5	-179.6	0	107.1	L6	L6-K8 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.48Å
9	G	34.6	Very low	49.2	Very low	84 Å²	84	99.3 Å²	99.3	87%	0.866	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.3	3.7	164.1	0	0	0	0	0	118	A7	A7-G9 PolarHBondContact O-N 3.47Å; A7-G9 VanDerWaalsContact O-N 3.15Å
10	G	38.1	Very low	51.1	Low	57 Å²	57	102 Å²	102	59%	0.588	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-92	132	174.2	0	0	0	0	0	112.8	Q12	G10-Q12 PolarHBondContact O-N 3.39Å
11	L	46.1	Very low	53.1	Low	105 Å²	105	104.1 Å²	104.1	55%	0.55	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-51.9	117.6	163.4	-76.9	157.8	0	0	0	108.4	P13	L11-P13 VanDerWaalsContact O-CD 3.31Å; L11-P13 WeakPolarHBondContact O-CD 3.38Å
12	Q	50.2	Low	55.9	Low	125 Å²	125	95 Å²	95	58%	0.584	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-75	119.3	-179.9	-71.4	-168.6	-8.5	0	0	109.9	G10 E14 N212	G10-Q12 PolarHBondContact O-N 3.39Å; Q12-E14 PolarHBondContact O-N 2.95Å; Q12-N212 PolarHBondContact N-ND2 3.21Å; Q12-N212 PolarHBondContact O-ND2 3.36Å; Q12-N212 PolarHBondContact O-OD1 3.46Å
13	P	54.5	Low	58.6	Low	82 Å²	82	93.4 Å²	93.4	53%	0.532	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-60.3	128	174.9	-19.6	31.8	0	0	0	109.7	L11 Q15	L11-P13 VanDerWaalsContact O-CD 3.31Å; L11-P13 WeakPolarHBondContact O-CD 3.38Å; P13-Q15 PolarHBondContact O-N 3.34Å
14	E	57.2	Low	61.4	Low	95 Å²	95	95.7 Å²	95.7	44%	0.444	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-62.1	122.7	173.9	-169.8	171.8	-145.2	0	0	109.2	Q12 M16 S213	Q12-E14 PolarHBondContact O-N 2.95Å; E14-M16 PolarHBondContact O-N 2.7Å; E14-S213 PolarHBondContact OE1-OG 3.2Å; E14-S213 PolarHBondContact OE2-OG 3.4Å
15	Q	63	Low	64.3	Low	64 Å²	64	90.5 Å²	90.5	30%	0.299	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-62.5	121.2	-179.7	-173.8	-173.5	-3.7	0	0	109.5	P13 S17 F19 S113	P13-Q15 PolarHBondContact O-N 3.34Å; Q15-S17 PolarHBondContact O-N 2.94Å; Q15-F19 HydrophobicContact CG-CD2 4.31Å; Q15-S113 PolarHBondContact NE2-O 2.71Å
16	M	68.3	Low	67.1	Low	61 Å²	61	85.2 Å²	85.2	30%	0.3	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-58.4	134.3	-177.1	-57.7	-172.1	-168.2	0	0	111.2	E14 C18 F19 W205	E14-M16 PolarHBondContact O-N 2.7Å; M16-C18 WeakPolarHBondContact CB-SG 3.42Å; M16-C18 PolarHBondContact O-N 3.2Å; M16-F19 HydrophobicContact CB-CD2 3.88Å; M16-F19 HydrophobicContact CB-CE2 3.87Å; M16-F19 HydrophobicContact CB-CG 4.28Å; M16-F19 HydrophobicContact CB-CZ 4.26Å; M16-F19 HydrophobicContact CE-CZ 4.35Å; M16-F19 HydrophobicContact CG-CD2 4.39Å; M16-F19 HydrophobicContact CG-CE2 3.88Å; M16-F19 HydrophobicContact CG-CZ 4.12Å; M16-F19 PolarHBondContact O-N 3.28Å; M16-F19 HydrophobicContact SD-CE1 4.32Å; M16-F19 HydrophobicContact SD-CE2 4.21Å; M16-F19 HydrophobicContact SD-CZ 3.82Å; M16-W205 HydrophobicContact CE-CB 4.11Å
17	S	77	Confident	70	Confident	92 Å²	92	83.5 Å²	83.5	64%	0.643	46%	0.461	S	S	*	.	H	α-helix	trans	-62.1	-24.2	177.4	65	0	0	0	0	112.6	Q15 K21	Q15-S17 PolarHBondContact O-N 2.94Å; S17-K21 PolarHBondContact O-N 3.27Å
18	C	84.2	Confident	72.9	Confident	43 Å²	43	80.6 Å²	80.6	29%	0.291	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-34.4	176.7	62.9	0	0	0	0	113	M16 R20 K21 M22	M16-C18 WeakPolarHBondContact CB-SG 3.42Å; M16-C18 PolarHBondContact O-N 3.2Å; C18-R20 PolarHBondContact O-N 2.96Å; C18-K21 WeakPolarHBondContact O-CA 3.26Å; C18-K21 WeakPolarHBondContact O-CB 3.45Å; C18-K21 PolarHBondContact O-N 3.15Å; C18-M22 PolarHBondContact O-N 2.92Å
19	F	87.9	Confident	75.9	Confident	13 Å²	13	70.4 Å²	70.4	6%	0.057	39%	0.393	C	S	.	.	H	α-helix	trans	-61.3	-45.4	178.8	-63.2	-30.2	0	0	0	111.5	Q15 M16 K21 M22 E23 Y82 Y84	Q15-F19 HydrophobicContact CG-CD2 4.31Å; M16-F19 HydrophobicContact CB-CD2 3.88Å; M16-F19 HydrophobicContact CB-CE2 3.87Å; M16-F19 HydrophobicContact CB-CG 4.28Å; M16-F19 HydrophobicContact CB-CZ 4.26Å; M16-F19 HydrophobicContact CE-CZ 4.35Å; M16-F19 HydrophobicContact CG-CD2 4.39Å; M16-F19 HydrophobicContact CG-CE2 3.88Å; M16-F19 HydrophobicContact CG-CZ 4.12Å; M16-F19 PolarHBondContact O-N 3.28Å; M16-F19 HydrophobicContact SD-CE1 4.32Å; M16-F19 HydrophobicContact SD-CE2 4.21Å; M16-F19 HydrophobicContact SD-CZ 3.82Å; F19-K21 PolarHBondContact O-N 3.49Å; F19-M22 PolarHBondContact O-N 3.41Å; F19-M22 VanDerWaalsContact O-N 3.14Å; F19-E23 WeakPolarHBondContact O-CG 2.89Å; F19-E23 PolarHBondContact O-N 3.39Å; F19-Y82 AromaticContact CE1-CD1 3.71Å; F19-Y82 HydrophobicContact CE1-CD1 3.71Å; F19-Y82 AromaticContact CE1-CE1 3.74Å; F19-Y82 HydrophobicContact CE1-CE1 3.74Å; F19-Y82 HydrophobicContact CE1-CG 4.41Å; F19-Y82 HydrophobicContact CZ-CD1 4.45Å; F19-Y82 HydrophobicContact CZ-CE1 4.32Å; F19-Y84 WeakPolarHBondContact CB-OH 3.42Å
20	R	87.4	Confident	78.7	Confident	153 Å²	153	70.7 Å²	70.7	58%	0.577	37%	0.372	S	S	*	.	H	α-helix	trans	-60.7	-30.4	174.6	-67	-173.3	-175.9	171.1	4.1	112.9	C18 K24	C18-R20 PolarHBondContact O-N 2.96Å; R20-K24 WeakPolarHBondContact O-CG 3.28Å; R20-K24 PolarHBondContact O-N 3.41Å
21	K	91.8	Very high	81.3	Confident	147 Å²	147	71 Å²	71	64%	0.639	36%	0.36	S	S	*	.	H	α-helix	trans	-72.7	-46.9	175.3	-64.9	-178.2	-179.7	-174.5	0	110.6	S17 C18 F19 E23 K24 V25	S17-K21 PolarHBondContact O-N 3.27Å; C18-K21 WeakPolarHBondContact O-CA 3.26Å; C18-K21 WeakPolarHBondContact O-CB 3.45Å; C18-K21 PolarHBondContact O-N 3.15Å; F19-K21 PolarHBondContact O-N 3.49Å; K21-E23 VanDerWaalsContact C-N 3.27Å; K21-E23 PolarHBondContact O-N 3.24Å; K21-K24 WeakPolarHBondContact O-CB 3.27Å; K21-K24 PolarHBondContact O-N 3.5Å; K21-K24 VanDerWaalsContact O-N 3.16Å; K21-V25 WeakPolarHBondContact O-CG2 3.3Å; K21-V25 PolarHBondContact O-N 3.45Å
22	M	92.4	Very high	83.4	Confident	25 Å²	25	71.8 Å²	71.8	12%	0.123	37%	0.372	C	S	.	.	H	α-helix	trans	-59.2	-38.6	176.6	-70.6	-179.3	174.2	0	0	112.3	C18 F19 K24 V25 L26 M78 L79 Y82 Y84	C18-M22 PolarHBondContact O-N 2.92Å; F19-M22 PolarHBondContact O-N 3.41Å; F19-M22 VanDerWaalsContact O-N 3.14Å; M22-K24 PolarHBondContact O-N 2.9Å; M22-V25 WeakPolarHBondContact O-CB 3.48Å; M22-V25 PolarHBondContact O-N 2.98Å; M22-V25 VanDerWaalsContact O-N 3.15Å; M22-L26 PolarHBondContact O-N 2.95Å; M22-M78 HydrophobicContact CE-CB 4.02Å; M22-L79 HydrophobicContact CB-CD2 4Å; M22-L79 HydrophobicContact CG-CD2 4.11Å; M22-Y82 HydrophobicContact CE-CD2 3.6Å; M22-Y82 HydrophobicContact CE-CE2 3.7Å; M22-Y82 HydrophobicContact SD-CD2 3.68Å; M22-Y82 HydrophobicContact SD-CE2 4.28Å; M22-Y82 HydrophobicContact SD-CG 4.2Å; M22-Y84 HydrophobicContact CB-CD2 4.11Å; M22-Y84 HydrophobicContact CB-CE2 3.76Å; M22-Y84 HydrophobicContact CG-CE2 4.46Å; M22-Y84 HydrophobicContact SD-CD2 4.18Å; M22-Y84 HydrophobicContact SD-CE2 3.89Å
23	E	92.4	Very high	85.3	Confident	31 Å²	31	72.9 Å²	72.9	15%	0.145	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-38.2	176.9	-70.6	167.2	-175.5	0	0	112.8	F19 K21 V25 L26 V27 Y84 W111 S113	F19-E23 WeakPolarHBondContact O-CG 2.89Å; F19-E23 PolarHBondContact O-N 3.39Å; K21-E23 VanDerWaalsContact C-N 3.27Å; K21-E23 PolarHBondContact O-N 3.24Å; E23-V25 VanDerWaalsContact C-N 3.28Å; E23-V25 PolarHBondContact O-N 3.31Å; E23-L26 WeakPolarHBondContact O-CB 3.4Å; E23-L26 PolarHBondContact O-N 2.82Å; E23-V27 VanDerWaalsContact O-CG2 3.29Å; E23-V27 WeakPolarHBondContact O-CG2 3.29Å; E23-V27 PolarHBondContact O-N 2.97Å; E23-Y84 HydrophobicContact CG-CE1 3.61Å; E23-Y84 PolarHBondContact OE1-OH 3.19Å; E23-W111 HydrophobicContact CB-CE3 4.42Å; E23-W111 HydrophobicContact CB-CH2 4.35Å; E23-W111 HydrophobicContact CB-CZ3 3.83Å; E23-W111 HydrophobicContact CG-CD2 4.37Å; E23-W111 HydrophobicContact CG-CE3 3.53Å; E23-W111 HydrophobicContact CG-CH2 4.22Å; E23-W111 HydrophobicContact CG-CZ3 3.44Å; E23-W111 VanDerWaalsContact CG-CZ3 3.44Å; E23-S113 WeakPolarHBondContact OE1-CB 3.4Å; E23-S113 PolarHBondContact OE1-OG 3.39Å
24	K	93.1	Very high	86.9	Confident	158 Å²	158	75.5 Å²	75.5	69%	0.687	39%	0.388	S	S	*	.	H	α-helix	trans	-63.3	-37.7	173.1	-73.1	177.4	178.8	-171	0	111.6	R20 K21 M22 A28	R20-K24 WeakPolarHBondContact O-CG 3.28Å; R20-K24 PolarHBondContact O-N 3.41Å; K21-K24 WeakPolarHBondContact O-CB 3.27Å; K21-K24 PolarHBondContact O-N 3.5Å; K21-K24 VanDerWaalsContact O-N 3.16Å; M22-K24 PolarHBondContact O-N 2.9Å; K24-A28 WeakPolarHBondContact O-CB 3.45Å; K24-A28 PolarHBondContact O-N 3.48Å; K24-A28 VanDerWaalsContact O-N 3.08Å
25	V	95.1	Very high	88.5	Confident	20 Å²	20	71.8 Å²	71.8	12%	0.121	38%	0.375	C	S	.	.	H	α-helix	trans	-61.5	-50.2	172.8	-176.5	0	0	0	0	109.5	K21 M22 E23 V27 A28 M29 W60 L61 Y65 L79	K21-V25 WeakPolarHBondContact O-CG2 3.3Å; K21-V25 PolarHBondContact O-N 3.45Å; M22-V25 WeakPolarHBondContact O-CB 3.48Å; M22-V25 PolarHBondContact O-N 2.98Å; M22-V25 VanDerWaalsContact O-N 3.15Å; E23-V25 VanDerWaalsContact C-N 3.28Å; E23-V25 PolarHBondContact O-N 3.31Å; V25-V27 PolarHBondContact O-N 3.06Å; V25-A28 WeakPolarHBondContact O-CB 3.38Å; V25-A28 PolarHBondContact O-N 3.45Å; V25-A28 VanDerWaalsContact O-N 3.13Å; V25-M29 HydrophobicContact CG1-CG 4.27Å; V25-M29 HydrophobicContact CG1-SD 3.93Å; V25-M29 VanDerWaalsContact O-CG 3.31Å; V25-M29 WeakPolarHBondContact O-CG 3.47Å; V25-M29 PolarHBondContact O-N 2.94Å; V25-W60 HydrophobicContact CG1-CZ3 4.24Å; V25-L61 HydrophobicContact CG1-CD2 4.16Å; V25-Y65 HydrophobicContact CG1-CE2 4.14Å; V25-L79 HydrophobicContact CG1-CD1 4.41Å
26	L	94.8	Very high	90	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-57.9	-44.1	178.6	-83.7	-149.4	0	0	0	113.7	M22 E23 A28 M29 Q30 L79 Y84 I85 F105 W111	M22-L26 PolarHBondContact O-N 2.95Å; E23-L26 WeakPolarHBondContact O-CB 3.4Å; E23-L26 PolarHBondContact O-N 2.82Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 2.94Å; L26-M29 HydrophobicContact CD2-SD 4.02Å; L26-M29 PolarHBondContact O-N 3.03Å; L26-Q30 WeakPolarHBondContact O-CB 3.26Å; L26-Q30 WeakPolarHBondContact O-CG 3.39Å; L26-Q30 PolarHBondContact O-N 3.05Å; L26-L79 HydrophobicContact CD2-CD1 4.39Å; L26-L79 HydrophobicContact CD2-CD2 4.44Å; L26-Y84 HydrophobicContact CD1-CD1 3.47Å; L26-Y84 VanDerWaalsContact CD1-CD1 3.47Å; L26-Y84 HydrophobicContact CD1-CE1 4.48Å; L26-Y84 HydrophobicContact CD1-CG 3.88Å; L26-Y84 HydrophobicContact CG-CD1 4.13Å; L26-Y84 HydrophobicContact CG-CG 4.24Å; L26-I85 HydrophobicContact CD2-CD1 4.28Å; L26-I85 HydrophobicContact CD2-CG1 4.1Å; L26-F105 HydrophobicContact CD1-CD1 4.48Å; L26-F105 HydrophobicContact CD2-CD1 3.87Å; L26-F105 HydrophobicContact CD2-CE1 3.68Å; L26-W111 HydrophobicContact CB-CZ2 4.47Å; L26-W111 HydrophobicContact CD1-CH2 4.45Å; L26-W111 HydrophobicContact CD1-CZ2 3.62Å
27	V	93.3	Very high	90.9	Very high	95 Å²	95	75 Å²	75	58%	0.576	39%	0.387	S	S	*	.	H	α-helix	trans	-61.3	-43.1	177.5	169.7	0	0	0	0	110	E23 V25 Q30 D31	E23-V27 VanDerWaalsContact O-CG2 3.29Å; E23-V27 WeakPolarHBondContact O-CG2 3.29Å; E23-V27 PolarHBondContact O-N 2.97Å; V25-V27 PolarHBondContact O-N 3.06Å; V27-Q30 CarbonylContact O-C 3.59Å; V27-Q30 PolarHBondContact O-N 3.45Å; V27-D31 PolarHBondContact O-N 3.45Å
28	A	95.7	Very high	91.4	Very high	27 Å²	27	73.3 Å²	73.3	22%	0.223	37%	0.369	C	S	.	.	H	α-helix	trans	-66.4	-36.2	175.9	0	0	0	0	0	112.8	K24 V25 L26 Q30 D31 G35 W60	K24-A28 WeakPolarHBondContact O-CB 3.45Å; K24-A28 PolarHBondContact O-N 3.48Å; K24-A28 VanDerWaalsContact O-N 3.08Å; V25-A28 WeakPolarHBondContact O-CB 3.38Å; V25-A28 PolarHBondContact O-N 3.45Å; V25-A28 VanDerWaalsContact O-N 3.13Å; L26-A28 VanDerWaalsContact C-N 3.3Å; L26-A28 PolarHBondContact O-N 2.94Å; A28-Q30 PolarHBondContact O-N 2.96Å; A28-D31 WeakPolarHBondContact O-CB 3.18Å; A28-D31 PolarHBondContact O-N 3.15Å; A28-G35 WeakPolarHBondContact O-CA 3.48Å; A28-W60 HydrophobicContact CB-CH2 3.93Å; A28-W60 HydrophobicContact CB-CZ2 4.23Å; A28-W60 WeakPolarHBondContact O-CZ2 3.34Å
29	M	96.3	Very high	91.6	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-66.9	-26.1	174.7	-66	170.6	80.6	0	0	112.4	V25 L26 M36 I57 W60 L79 I85 F105	V25-M29 HydrophobicContact CG1-CG 4.27Å; V25-M29 HydrophobicContact CG1-SD 3.93Å; V25-M29 VanDerWaalsContact O-CG 3.31Å; V25-M29 WeakPolarHBondContact O-CG 3.47Å; V25-M29 PolarHBondContact O-N 2.94Å; L26-M29 HydrophobicContact CD2-SD 4.02Å; L26-M29 PolarHBondContact O-N 3.03Å; M29-M36 HydrophobicContact CB-CG 4.32Å; M29-M36 HydrophobicContact CB-SD 4.22Å; M29-M36 HydrophobicContact CE-SD 3.25Å; M29-M36 WeakPolarHBondContact CE-SD 3.25Å; M29-M36 HydrophobicContact CG-SD 4.36Å; M29-M36 PolarHBondContact O-N 3.22Å; M29-I57 HydrophobicContact CE-CG1 4.4Å; M29-I57 HydrophobicContact CE-CG2 4Å; M29-W60 HydrophobicContact CB-CH2 4.26Å; M29-W60 HydrophobicContact CB-CZ2 4.39Å; M29-W60 HydrophobicContact CB-CZ3 4.4Å; M29-W60 HydrophobicContact CG-CD2 4.05Å; M29-W60 HydrophobicContact CG-CE3 3.54Å; M29-W60 HydrophobicContact CG-CH2 3.46Å; M29-W60 VanDerWaalsContact CG-CH2 3.46Å; M29-W60 HydrophobicContact CG-CZ2 3.98Å; M29-W60 HydrophobicContact CG-CZ3 3.22Å; M29-W60 HydrophobicContact SD-CE3 4.45Å; M29-W60 HydrophobicContact SD-CZ3 4.25Å; M29-L79 HydrophobicContact SD-CD1 3.97Å; M29-I85 HydrophobicContact CE-CD1 3.97Å; M29-F105 HydrophobicContact CB-CE1 4.24Å; M29-F105 HydrophobicContact CB-CE2 4.46Å; M29-F105 HydrophobicContact CB-CZ 3.62Å; M29-F105 HydrophobicContact CE-CE1 4.1Å; M29-F105 HydrophobicContact CE-CZ 4.11Å; M29-F105 HydrophobicContact SD-CE1 4.24Å; M29-F105 HydrophobicContact SD-CZ 4.42Å
30	Q	94.2	Very high	91.6	Very high	90 Å²	90	83 Å²	83	42%	0.421	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	2.9	179.5	-72	178.2	47.1	0	0	113.6	L26 V27 A28 F105	L26-Q30 WeakPolarHBondContact O-CB 3.26Å; L26-Q30 WeakPolarHBondContact O-CG 3.39Å; L26-Q30 PolarHBondContact O-N 3.05Å; V27-Q30 CarbonylContact O-C 3.59Å; V27-Q30 PolarHBondContact O-N 3.45Å; A28-Q30 PolarHBondContact O-N 2.96Å; Q30-F105 HydrophobicContact CB-CE2 4.43Å; Q30-F105 VanDerWaalsContact CD-CD2 3.49Å; Q30-F105 HydrophobicContact CG-CD2 3.3Å; Q30-F105 HydrophobicContact CG-CE2 3.17Å; Q30-F105 HydrophobicContact CG-CG 4.03Å; Q30-F105 HydrophobicContact CG-CZ 3.91Å
31	D	93.4	Very high	91.4	Very high	64 Å²	64	78.6 Å²	78.6	34%	0.342	39%	0.394	S	S	.	.			trans	-59.7	128.3	179.1	-172.3	-83.4	0	0	0	110.4	V27 A28 D33 M34 G35	V27-D31 PolarHBondContact O-N 3.45Å; A28-D31 WeakPolarHBondContact O-CB 3.18Å; A28-D31 PolarHBondContact O-N 3.15Å; D31-D33 PolarHBondContact O-N 3.17Å; D31-D33 PolarHBondContact OD1-N 3.41Å; D31-M34 HydrophobicContact CB-CB 4.5Å; D31-M34 PolarHBondContact OD1-N 3.31Å; D31-G35 WeakPolarHBondContact O-CA 3.4Å; D31-G35 PolarHBondContact O-N 3.2Å
32	P	90.3	Very high	91	Very high	122 Å²	122	80 Å²	80	79%	0.792	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.4	-175.8	-25.4	34.9	0	0	0	114.4
33	D	89	Confident	90.4	Very high	147 Å²	147	80.5 Å²	80.5	79%	0.786	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-41.9	-171.6	-60.8	-43	0	0	0	111.4	D31	D31-D33 PolarHBondContact O-N 3.17Å; D31-D33 PolarHBondContact OD1-N 3.41Å
34	M	88.7	Confident	89.8	Confident	138 Å²	138	86.4 Å²	86.4	68%	0.68	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-2.3	-171.6	-59.4	-61.2	-65.6	0	0	113.6	D31	D31-M34 HydrophobicContact CB-CB 4.5Å; D31-M34 PolarHBondContact OD1-N 3.31Å
35	G	90.7	Very high	89.1	Confident	16 Å²	16	84.9 Å²	84.9	17%	0.165	43%	0.428	C	S	.	.	S	Bend	trans	-87.2	-165.9	-176.9	0	0	0	0	0	113.6	A28 D31	A28-G35 WeakPolarHBondContact O-CA 3.48Å; D31-G35 WeakPolarHBondContact O-CA 3.4Å; D31-G35 PolarHBondContact O-N 3.2Å
36	M	93.3	Very high	88.6	Confident	19 Å²	19	84.7 Å²	84.7	9%	0.094	43%	0.427	C	S	.	.			trans	-76.4	137.7	-179.5	-69.8	-176.6	65.2	0	0	111.7	M29 M38 M52 D56 I57 W60 F105	M29-M36 HydrophobicContact CB-CG 4.32Å; M29-M36 HydrophobicContact CB-SD 4.22Å; M29-M36 HydrophobicContact CE-SD 3.25Å; M29-M36 WeakPolarHBondContact CE-SD 3.25Å; M29-M36 HydrophobicContact CG-SD 4.36Å; M29-M36 PolarHBondContact O-N 3.22Å; M36-M38 HydrophobicContact CB-CE 3.89Å; M36-M38 PolarHBondContact O-N 3.26Å; M36-M52 HydrophobicContact CE-CB 3.82Å; M36-M52 HydrophobicContact CE-CG 4.08Å; M36-M52 HydrophobicContact CE-SD 3.71Å; M36-M52 HydrophobicContact SD-SD 3.95Å; M36-D56 VanDerWaalsContact CE-C 3.49Å; M36-D56 HydrophobicContact CE-CB 3.69Å; M36-I57 HydrophobicContact CE-CB 4.3Å; M36-I57 HydrophobicContact CE-CG1 3.74Å; M36-I57 HydrophobicContact SD-CG1 4.3Å; M36-W60 HydrophobicContact CG-CB 3.81Å; M36-W60 HydrophobicContact CG-CD2 4.03Å; M36-W60 HydrophobicContact CG-CG 3.48Å; M36-W60 VanDerWaalsContact CG-CG 3.48Å; M36-W60 HydrophobicContact SD-CB 4.24Å; M36-W60 HydrophobicContact SD-CG 4.32Å; M36-F105 HydrophobicContact SD-CZ 4.34Å
37	K	87.4	Confident	88.3	Confident	174 Å²	174	88.4 Å²	88.4	76%	0.757	45%	0.449	S	S	*	.			trans	-75.7	107.1	174.3	-68	-173.5	179.8	180	0	110.7
38	M	89.2	Confident	88	Confident	56 Å²	56	83.9 Å²	83.9	28%	0.276	42%	0.422	S	S	.	.			trans	-80.6	144.6	177.2	-63.5	-63.9	159.7	0	0	112.6	M36 H50 M52 F105	M36-M38 HydrophobicContact CB-CE 3.89Å; M36-M38 PolarHBondContact O-N 3.26Å; M38-H50 HydrophobicContact CB-CB 4.37Å; M38-M52 HydrophobicContact CE-CB 4.37Å; M38-M52 HydrophobicContact CE-CE 3.71Å; M38-M52 HydrophobicContact CE-SD 4.02Å; M38-M52 HydrophobicContact SD-CB 3.91Å; M38-M52 HydrophobicContact SD-CE 4.02Å; M38-F105 HydrophobicContact CE-CD2 3.72Å; M38-F105 HydrophobicContact CE-CE2 3.07Å; M38-F105 HydrophobicContact CE-CZ 3.86Å
39	R	87.6	Confident	87.5	Confident	148 Å²	148	84.4 Å²	84.4	56%	0.558	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	164.1	-178.2	-57.5	-177.5	-170.1	170.6	7.1	112	H50 A51	R39-H50 PolarHBondContact O-N 3.26Å; R39-A51 PolarHBondContact N-O 3.41Å; R39-A51 PolarHBondContact O-N 3.2Å
40	N	87.7	Confident	87.2	Confident	113 Å²	113	90.2 Å²	90.2	60%	0.604	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.6	170.1	-72	-17.7	0	0	0	109	V47 P49	N40-V47 HydrophobicContact CB-CG1 3.73Å; N40-P49 VanDerWaalsContact OD1-CA 3.27Å; N40-P49 WeakPolarHBondContact OD1-CA 3.35Å
41	Q	83.9	Confident	87.1	Confident	60 Å²	60	86 Å²	86	28%	0.28	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.1	178.1	-166.6	75.3	1.5	0	0	111.1	L43 I48 A51 P102	Q41-L43 PolarHBondContact O-N 3.41Å; Q41-I48 PolarHBondContact N-O 3.44Å; Q41-I48 PolarHBondContact O-N 3.06Å; Q41-A51 HydrophobicContact CB-CB 3.8Å; Q41-P102 HydrophobicContact CB-CB 4.4Å; Q41-P102 HydrophobicContact CG-CB 3.68Å; Q41-P102 HydrophobicContact CG-CG 4.16Å
42	R	82.1	Confident	87.1	Confident	176 Å²	176	83.2 Å²	83.2	66%	0.664	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	118	173	-171.4	175.1	175.5	171.1	2.5	110.6	L44	R42-L44 WeakPolarHBondContact CG-O 3.48Å; R42-L44 PolarHBondContact NE-O 3.31Å
43	L	79.7	Confident	87.3	Confident	36 Å²	36	77.7 Å²	77.7	19%	0.188	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	106.6	169.9	-169.6	70.7	0	0	0	108.8	Q41 I45 T46 I48 L88 I180	Q41-L43 PolarHBondContact O-N 3.41Å; L43-I45 PolarHBondContact O-N 3.12Å; L43-T46 PolarHBondContact N-O 2.84Å; L43-T46 PolarHBondContact O-N 3.45Å; L43-T46 VanDerWaalsContact O-O 3.13Å; L43-I48 HydrophobicContact CB-CG1 3.78Å; L43-I48 HydrophobicContact CD2-CG1 4.36Å; L43-L88 HydrophobicContact CD1-CB 4.35Å; L43-I180 HydrophobicContact CD2-CG2 4.14Å
44	L	79.9	Confident	87.7	Confident	154 Å²	154	70.7 Å²	70.7	81%	0.806	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	-106	-169.9	-58.1	170	0	0	0	111.3	R42	R42-L44 WeakPolarHBondContact CG-O 3.48Å; R42-L44 PolarHBondContact NE-O 3.31Å
45	I	79.4	Confident	88	Confident	127 Å²	127	68.3 Å²	68.3	65%	0.651	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-4	179.1	59.1	169.8	0	0	0	113.4	L43	L43-I45 PolarHBondContact O-N 3.12Å
46	T	85.3	Confident	88.2	Confident	16 Å²	16	69.2 Å²	69.2	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.1	-175.6	-50.7	0	0	0	0	110.4	L43 I48 A177 I180	L43-T46 PolarHBondContact N-O 2.84Å; L43-T46 PolarHBondContact O-N 3.45Å; L43-T46 VanDerWaalsContact O-O 3.13Å; T46-I48 HydrophobicContact CG2-CD1 4.31Å; T46-A177 HydrophobicContact CG2-CB 3.88Å; T46-I180 HydrophobicContact CG2-CD1 3.98Å
47	V	87.2	Confident	88.4	Confident	78 Å²	78	68.3 Å²	68.3	47%	0.473	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	123.5	174.2	-178.8	0	0	0	0	109	N40	N40-V47 HydrophobicContact CB-CG1 3.73Å
48	I	87.6	Confident	88.9	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.2	178.2	-55.8	-59.7	0	0	0	108.1	Q41 L43 T46 L88 I180 V181	Q41-I48 PolarHBondContact N-O 3.44Å; Q41-I48 PolarHBondContact O-N 3.06Å; L43-I48 HydrophobicContact CB-CG1 3.78Å; L43-I48 HydrophobicContact CD2-CG1 4.36Å; T46-I48 HydrophobicContact CG2-CD1 4.31Å; I48-L88 HydrophobicContact CB-CD1 4.29Å; I48-L88 HydrophobicContact CG2-CD1 3.86Å; I48-I180 HydrophobicContact CD1-CB 4.29Å; I48-I180 HydrophobicContact CD1-CG2 4.04Å; I48-V181 HydrophobicContact CD1-CG2 4.3Å; I48-V181 HydrophobicContact CG2-CG2 3.85Å
49	P	85.9	Confident	89.2	Confident	37 Å²	37	59.4 Å²	59.4	24%	0.24	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	162.8	-179.7	31.9	-35.4	0	0	0	111.7	N40 A51 R104	N40-P49 VanDerWaalsContact OD1-CA 3.27Å; N40-P49 WeakPolarHBondContact OD1-CA 3.35Å; P49-A51 PolarHBondContact O-N 3.06Å; P49-R104 PolarHBondContact O-NH1 2.64Å; P49-R104 PolarHBondContact O-NH2 3.33Å
50	H	88.2	Confident	89.7	Confident	123 Å²	123	53.6 Å²	53.6	57%	0.569	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.3	45.8	174.2	-50.5	-70	0	0	0	115.4	M38 R39	M38-H50 HydrophobicContact CB-CB 4.37Å; R39-H50 PolarHBondContact O-N 3.26Å
51	A	92.1	Very high	90.1	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	159.8	172.1	0	0	0	0	0	110.8	R39 Q41 P49 L88 Y103 R104	R39-A51 PolarHBondContact N-O 3.41Å; R39-A51 PolarHBondContact O-N 3.2Å; Q41-A51 HydrophobicContact CB-CB 3.8Å; P49-A51 PolarHBondContact O-N 3.06Å; A51-L88 HydrophobicContact CB-CD1 4.07Å; A51-Y103 WeakPolarHBondContact CA-O 3.38Å; A51-R104 HydrophobicContact CB-CG 4.17Å
52	M	94.6	Very high	90.8	Very high	4 Å²	4	48 Å²	48	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	160.3	174.8	69.2	-158.7	96.7	0	0	109.8	M36 M38 I57 P102 Y103 F105	M36-M52 HydrophobicContact CE-CB 3.82Å; M36-M52 HydrophobicContact CE-CG 4.08Å; M36-M52 HydrophobicContact CE-SD 3.71Å; M36-M52 HydrophobicContact SD-SD 3.95Å; M38-M52 HydrophobicContact CE-CB 4.37Å; M38-M52 HydrophobicContact CE-CE 3.71Å; M38-M52 HydrophobicContact CE-SD 4.02Å; M38-M52 HydrophobicContact SD-CB 3.91Å; M38-M52 HydrophobicContact SD-CE 4.02Å; M52-I57 HydrophobicContact CG-CD1 3.84Å; M52-I57 HydrophobicContact CG-CG1 3.8Å; M52-I57 HydrophobicContact SD-CD1 3.81Å; M52-I57 HydrophobicContact SD-CG1 3.59Å; M52-I57 VanDerWaalsContact SD-CG1 3.59Å; M52-P102 CarbonylContact O-C 3.59Å; M52-P102 WeakPolarHBondContact O-CA 3.27Å; M52-Y103 PolarHBondContact N-O 3.48Å; M52-Y103 PolarHBondContact O-N 2.77Å; M52-F105 HydrophobicContact CE-CB 4.5Å; M52-F105 HydrophobicContact CE-CD1 3.82Å; M52-F105 HydrophobicContact CE-CD2 3.54Å; M52-F105 HydrophobicContact CE-CE1 3.74Å; M52-F105 HydrophobicContact CE-CE2 3.55Å; M52-F105 HydrophobicContact CE-CG 3.67Å; M52-F105 HydrophobicContact CE-CZ 3.58Å; M52-F105 HydrophobicContact SD-CE1 4.07Å; M52-F105 HydrophobicContact SD-CE2 4.22Å; M52-F105 HydrophobicContact SD-CZ 3.79Å
53	T	95	Very high	91.5	Very high	6 Å²	6	46 Å²	46	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	161.8	173.3	70.4	0	0	0	0	111.5	H55 D56 I57 E100 S101	T53-H55 VanDerWaalsContact C-N 3.27Å; T53-H55 PolarHBondContact O-N 3.17Å; T53-D56 PolarHBondContact N-OD2 2.93Å; T53-D56 PolarHBondContact O-N 3.23Å; T53-D56 PolarHBondContact OG1-N 3.08Å; T53-D56 PolarHBondContact OG1-OD2 2.95Å; T53-D56 VanDerWaalsContact OG1-OD2 3.12Å; T53-I57 WeakPolarHBondContact O-CG1 3.35Å; T53-I57 PolarHBondContact O-N 2.98Å; T53-I57 VanDerWaalsContact O-N 3.15Å; T53-E100 WeakPolarHBondContact CG2-OE2 3.43Å; T53-S101 CarbonylContact C-O 3.6Å; T53-S101 WeakPolarHBondContact CA-O 3.45Å
54	G	95.4	Very high	92.2	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-37.5	173.4	0	0	0	0	0	112.1	D56 I57 I58 R97 D99 S101	G54-D56 PolarHBondContact O-N 2.99Å; G54-I57 PolarHBondContact O-N 3.18Å; G54-I58 WeakPolarHBondContact O-CG1 3.27Å; G54-I58 PolarHBondContact O-N 3.3Å; G54-I58 VanDerWaalsContact O-N 3.14Å; G54-R97 VanDerWaalsContact CA-O 3.29Å; G54-R97 WeakPolarHBondContact CA-O 3.45Å; G54-D99 PolarHBondContact N-O 3.38Å; G54-D99 VanDerWaalsContact N-O 3.14Å; G54-S101 PolarHBondContact N-O 3.43Å
55	H	95.6	Very high	93	Very high	88 Å²	88	46.1 Å²	46.1	41%	0.407	23%	0.227	S	C	.	.	H	α-helix	trans	-59.1	-43.8	171.5	-177.1	71.8	0	0	0	112.8	T53 I57 I58 T59 D99	T53-H55 VanDerWaalsContact C-N 3.27Å; T53-H55 PolarHBondContact O-N 3.17Å; H55-I57 VanDerWaalsContact C-N 3.34Å; H55-I57 PolarHBondContact O-N 3.42Å; H55-I58 PolarHBondContact O-N 3.4Å; H55-T59 WeakPolarHBondContact O-CB 3.44Å; H55-T59 PolarHBondContact O-N 2.9Å; H55-T59 PolarHBondContact O-OG1 2.94Å; H55-D99 PolarHBondContact N-O 2.73Å
56	D	95.9	Very high	93.8	Very high	35 Å²	35	48.3 Å²	48.3	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-41.8	177.3	-69.2	-33.1	0	0	0	111.5	M36 T53 G54 W60	M36-D56 VanDerWaalsContact CE-C 3.49Å; M36-D56 HydrophobicContact CE-CB 3.69Å; T53-D56 PolarHBondContact N-OD2 2.93Å; T53-D56 PolarHBondContact O-N 3.23Å; T53-D56 PolarHBondContact OG1-N 3.08Å; T53-D56 PolarHBondContact OG1-OD2 2.95Å; T53-D56 VanDerWaalsContact OG1-OD2 3.12Å; G54-D56 PolarHBondContact O-N 2.99Å; D56-W60 WeakPolarHBondContact O-CB 3.37Å; D56-W60 PolarHBondContact O-N 3.41Å
57	I	96.7	Very high	94.4	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-50.8	179	-67.5	166.9	0	0	0	110.2	M29 M36 M52 T53 G54 H55 W60 L61 I85 L96 Y103	M29-I57 HydrophobicContact CE-CG1 4.4Å; M29-I57 HydrophobicContact CE-CG2 4Å; M36-I57 HydrophobicContact CE-CB 4.3Å; M36-I57 HydrophobicContact CE-CG1 3.74Å; M36-I57 HydrophobicContact SD-CG1 4.3Å; M52-I57 HydrophobicContact CG-CD1 3.84Å; M52-I57 HydrophobicContact CG-CG1 3.8Å; M52-I57 HydrophobicContact SD-CD1 3.81Å; M52-I57 HydrophobicContact SD-CG1 3.59Å; M52-I57 VanDerWaalsContact SD-CG1 3.59Å; T53-I57 WeakPolarHBondContact O-CG1 3.35Å; T53-I57 PolarHBondContact O-N 2.98Å; T53-I57 VanDerWaalsContact O-N 3.15Å; G54-I57 PolarHBondContact O-N 3.18Å; H55-I57 VanDerWaalsContact C-N 3.34Å; H55-I57 PolarHBondContact O-N 3.42Å; I57-W60 PolarHBondContact O-N 3.23Å; I57-L61 HydrophobicContact CG2-CD1 4.05Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.28Å; I57-I85 HydrophobicContact CD1-CD1 4.12Å; I57-I85 HydrophobicContact CD1-CG2 4.07Å; I57-L96 HydrophobicContact CD1-CD1 3.86Å; I57-L96 HydrophobicContact CG2-CD2 4.06Å; I57-Y103 HydrophobicContact CD1-CD2 4.19Å; I57-Y103 HydrophobicContact CD1-CG 4.08Å
58	I	97.1	Very high	94.9	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-46.1	-176.7	-65.1	168.8	0	0	0	110.2	G54 H55 W60 L61 I62 E69 A72 L73 L96 P98	G54-I58 WeakPolarHBondContact O-CG1 3.27Å; G54-I58 PolarHBondContact O-N 3.3Å; G54-I58 VanDerWaalsContact O-N 3.14Å; H55-I58 PolarHBondContact O-N 3.4Å; I58-W60 VanDerWaalsContact C-N 3.31Å; I58-W60 PolarHBondContact O-N 2.93Å; I58-L61 PolarHBondContact O-N 2.89Å; I58-L61 VanDerWaalsContact O-N 3.14Å; I58-I62 HydrophobicContact CG2-CD1 3.8Å; I58-I62 HydrophobicContact CG2-CG1 4.35Å; I58-I62 WeakPolarHBondContact O-CG1 3.17Å; I58-I62 PolarHBondContact O-N 3.37Å; I58-E69 HydrophobicContact CG2-CG 4.14Å; I58-A72 HydrophobicContact CG2-CB 4.07Å; I58-L73 HydrophobicContact CD1-CB 4.36Å; I58-L73 HydrophobicContact CD1-CD1 3.65Å; I58-L73 HydrophobicContact CG1-CD1 4.44Å; I58-L96 HydrophobicContact CD1-CD2 4.35Å; I58-L96 HydrophobicContact CG1-CD2 3.96Å; I58-P98 HydrophobicContact CD1-CB 3.44Å; I58-P98 VanDerWaalsContact CD1-CB 3.44Å
59	T	96.8	Very high	95.3	Very high	40 Å²	40	53.7 Å²	53.7	25%	0.245	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-42.7	179.1	-58.9	0	0	0	0	111.4	H55 Q63	H55-T59 WeakPolarHBondContact O-CB 3.44Å; H55-T59 PolarHBondContact O-N 2.9Å; H55-T59 PolarHBondContact O-OG1 2.94Å; T59-Q63 WeakPolarHBondContact O-CB 3.4Å; T59-Q63 VanDerWaalsContact O-CG 3.29Å; T59-Q63 WeakPolarHBondContact O-CG 3.47Å; T59-Q63 PolarHBondContact O-N 3.22Å
60	W	96.9	Very high	95.8	Very high	25 Å²	25	58.4 Å²	58.4	10%	0.095	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-41.9	176.5	-173.3	93	0	0	0	111.9	V25 A28 M29 M36 D56 I57 I58 Q63 K64 Y65	V25-W60 HydrophobicContact CG1-CZ3 4.24Å; A28-W60 HydrophobicContact CB-CH2 3.93Å; A28-W60 HydrophobicContact CB-CZ2 4.23Å; A28-W60 WeakPolarHBondContact O-CZ2 3.34Å; M29-W60 HydrophobicContact CB-CH2 4.26Å; M29-W60 HydrophobicContact CB-CZ2 4.39Å; M29-W60 HydrophobicContact CB-CZ3 4.4Å; M29-W60 HydrophobicContact CG-CD2 4.05Å; M29-W60 HydrophobicContact CG-CE3 3.54Å; M29-W60 HydrophobicContact CG-CH2 3.46Å; M29-W60 VanDerWaalsContact CG-CH2 3.46Å; M29-W60 HydrophobicContact CG-CZ2 3.98Å; M29-W60 HydrophobicContact CG-CZ3 3.22Å; M29-W60 HydrophobicContact SD-CE3 4.45Å; M29-W60 HydrophobicContact SD-CZ3 4.25Å; M36-W60 HydrophobicContact CG-CB 3.81Å; M36-W60 HydrophobicContact CG-CD2 4.03Å; M36-W60 HydrophobicContact CG-CG 3.48Å; M36-W60 VanDerWaalsContact CG-CG 3.48Å; M36-W60 HydrophobicContact SD-CB 4.24Å; M36-W60 HydrophobicContact SD-CG 4.32Å; D56-W60 WeakPolarHBondContact O-CB 3.37Å; D56-W60 PolarHBondContact O-N 3.41Å; I57-W60 PolarHBondContact O-N 3.23Å; I58-W60 VanDerWaalsContact C-N 3.31Å; I58-W60 PolarHBondContact O-N 2.93Å; W60-Q63 PolarHBondContact O-N 3.46Å; W60-K64 HydrophobicContact CD2-CB 4.31Å; W60-K64 HydrophobicContact CE3-CB 4.12Å; W60-K64 HydrophobicContact CH2-CB 4.12Å; W60-K64 HydrophobicContact CH2-CD 4.31Å; W60-K64 HydrophobicContact CH2-CG 3.7Å; W60-K64 HydrophobicContact CZ2-CB 4.29Å; W60-K64 HydrophobicContact CZ2-CD 4.17Å; W60-K64 HydrophobicContact CZ2-CG 3.99Å; W60-K64 HydrophobicContact CZ3-CB 4.02Å; W60-K64 HydrophobicContact CZ3-CG 4.01Å; W60-K64 WeakPolarHBondContact O-CB 3.47Å; W60-K64 PolarHBondContact O-N 2.98Å; W60-Y65 AromaticContact CZ3-CE2 3.97Å; W60-Y65 HydrophobicContact CZ3-CE2 3.97Å
61	L	97.3	Very high	96.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-44.5	178.4	-71.1	172.3	0	0	0	112.4	V25 I57 I58 Q63 K64 Y65 I67 A72 L75	V25-L61 HydrophobicContact CG1-CD2 4.16Å; I57-L61 HydrophobicContact CG2-CD1 4.05Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.28Å; I58-L61 PolarHBondContact O-N 2.89Å; I58-L61 VanDerWaalsContact O-N 3.14Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; L61-Q63 PolarHBondContact O-N 3.4Å; L61-K64 PolarHBondContact O-N 2.86Å; L61-Y65 HydrophobicContact CD2-CD2 4.02Å; L61-Y65 HydrophobicContact CD2-CE2 3.87Å; L61-Y65 PolarHBondContact O-N 3.49Å; L61-I67 HydrophobicContact CB-CD1 4.5Å; L61-A72 HydrophobicContact CB-CB 3.97Å; L61-A72 WeakPolarHBondContact CD1-O 3.26Å; L61-L75 HydrophobicContact CD1-CD2 4.49Å; L61-L75 HydrophobicContact CD1-CG 4.45Å; L61-L75 HydrophobicContact CD2-CD2 3.97Å
62	I	97.7	Very high	96.6	Very high	55 Å²	55	57.6 Å²	57.6	28%	0.282	28%	0.276	S	S	.	.	H	α-helix	trans	-57.2	-49.2	175.2	-68.3	169.9	0	0	0	110.1	I58 H66 E69 A72	I58-I62 HydrophobicContact CG2-CD1 3.8Å; I58-I62 HydrophobicContact CG2-CG1 4.35Å; I58-I62 WeakPolarHBondContact O-CG1 3.17Å; I58-I62 PolarHBondContact O-N 3.37Å; I62-H66 VanDerWaalsContact O-CA 3.25Å; I62-H66 WeakPolarHBondContact O-CA 3.36Å; I62-H66 PolarHBondContact O-N 3.2Å; I62-E69 HydrophobicContact CD1-CB 4.02Å; I62-E69 HydrophobicContact CD1-CG 4.25Å; I62-A72 HydrophobicContact CD1-CB 4.38Å; I62-A72 HydrophobicContact CG1-CB 3.57Å
63	Q	96.3	Very high	96.7	Very high	134 Å²	134	59.9 Å²	59.9	63%	0.626	29%	0.288	S	S	*	.	H	α-helix	trans	-68.7	-40.6	-177.4	-71.5	176	-0	0	0	112.7	T59 W60 L61	T59-Q63 WeakPolarHBondContact O-CB 3.4Å; T59-Q63 VanDerWaalsContact O-CG 3.29Å; T59-Q63 WeakPolarHBondContact O-CG 3.47Å; T59-Q63 PolarHBondContact O-N 3.22Å; W60-Q63 PolarHBondContact O-N 3.46Å; L61-Q63 VanDerWaalsContact C-N 3.34Å; L61-Q63 PolarHBondContact O-N 3.4Å
64	K	96.1	Very high	96.7	Very high	99 Å²	99	64.8 Å²	64.8	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-73.1	-38.1	-175.9	-175.3	64.6	174.4	-173.1	0	112.9	W60 L61	W60-K64 HydrophobicContact CD2-CB 4.31Å; W60-K64 HydrophobicContact CE3-CB 4.12Å; W60-K64 HydrophobicContact CH2-CB 4.12Å; W60-K64 HydrophobicContact CH2-CD 4.31Å; W60-K64 HydrophobicContact CH2-CG 3.7Å; W60-K64 HydrophobicContact CZ2-CB 4.29Å; W60-K64 HydrophobicContact CZ2-CD 4.17Å; W60-K64 HydrophobicContact CZ2-CG 3.99Å; W60-K64 HydrophobicContact CZ3-CB 4.02Å; W60-K64 HydrophobicContact CZ3-CG 4.01Å; W60-K64 WeakPolarHBondContact O-CB 3.47Å; W60-K64 PolarHBondContact O-N 2.98Å; L61-K64 PolarHBondContact O-N 2.86Å
65	Y	96.1	Very high	96.8	Very high	94 Å²	94	67.2 Å²	67.2	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-111.4	-3.6	-171.5	-63.9	-67.8	0	0	0	114.2	V25 W60 L61 I67	V25-Y65 HydrophobicContact CG1-CE2 4.14Å; W60-Y65 AromaticContact CZ3-CE2 3.97Å; W60-Y65 HydrophobicContact CZ3-CE2 3.97Å; L61-Y65 HydrophobicContact CD2-CD2 4.02Å; L61-Y65 HydrophobicContact CD2-CE2 3.87Å; L61-Y65 PolarHBondContact O-N 3.49Å; Y65-I67 VanDerWaalsContact C-N 3.28Å; Y65-I67 PolarHBondContact O-N 2.99Å
66	H	97	Very high	96.9	Very high	173 Å²	173	63 Å²	63	80%	0.801	30%	0.303	S	S	*	.			trans	55.5	42.2	-178.2	-55.6	-69.7	0	0	0	113	I62	I62-H66 VanDerWaalsContact O-CA 3.25Å; I62-H66 WeakPolarHBondContact O-CA 3.36Å; I62-H66 PolarHBondContact O-N 3.2Å
67	I	97.7	Very high	96.8	Very high	30 Å²	30	63.3 Å²	63.3	15%	0.154	30%	0.303	C	S	.	.			trans	-105.5	160.4	-179.2	57.5	176.3	0	0	0	111.4	L61 Y65 E71 A72 L75	L61-I67 HydrophobicContact CB-CD1 4.5Å; Y65-I67 VanDerWaalsContact C-N 3.28Å; Y65-I67 PolarHBondContact O-N 2.99Å; I67-E71 HydrophobicContact CB-CB 4.34Å; I67-E71 HydrophobicContact CB-CG 4.33Å; I67-E71 HydrophobicContact CD1-CG 4.27Å; I67-A72 HydrophobicContact CD1-CB 3.83Å; I67-A72 HydrophobicContact CG1-CB 4.07Å; I67-L75 HydrophobicContact CD1-CD2 4.34Å
68	C	97.4	Very high	96.7	Very high	65 Å²	65	64.8 Å²	64.8	44%	0.439	31%	0.311	S	S	.	.			trans	-71.8	163.5	176.5	75.7	0	0	0	0	111.8	E70 E71 A72	C68-E70 VanDerWaalsContact C-N 3.32Å; C68-E70 PolarHBondContact O-N 3.16Å; C68-E70 PolarHBondContact SG-OE2 2.97Å; C68-E71 PolarHBondContact O-N 3.08Å; C68-E71 PolarHBondContact SG-N 2.68Å; C68-A72 WeakPolarHBondContact O-CB 3.47Å; C68-A72 PolarHBondContact O-N 3.25Å
69	E	96.4	Very high	96.7	Very high	113 Å²	113	64.6 Å²	64.6	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-39.2	-177.6	-175.4	174.6	-172.4	0	0	112.3	I58 I62 E71 A72 L73	I58-E69 HydrophobicContact CG2-CG 4.14Å; I62-E69 HydrophobicContact CD1-CB 4.02Å; I62-E69 HydrophobicContact CD1-CG 4.25Å; E69-E71 PolarHBondContact O-N 3.42Å; E69-A72 PolarHBondContact O-N 3.18Å; E69-L73 VanDerWaalsContact O-CB 3.29Å; E69-L73 WeakPolarHBondContact O-CB 3.46Å; E69-L73 PolarHBondContact O-N 3.42Å
70	E	96.5	Very high	96.6	Very high	137 Å²	137	62.7 Å²	62.7	64%	0.64	30%	0.298	S	S	*	.	H	α-helix	trans	-65.2	-39.8	178.8	-58.6	85.1	171.1	0	0	112.1	C68 H74	C68-E70 VanDerWaalsContact C-N 3.32Å; C68-E70 PolarHBondContact O-N 3.16Å; C68-E70 PolarHBondContact SG-OE2 2.97Å; E70-H74 WeakPolarHBondContact O-CB 3.47Å; E70-H74 PolarHBondContact O-N 3.25Å
71	E	97.6	Very high	96.4	Very high	108 Å²	108	63.7 Å²	63.7	51%	0.505	30%	0.303	S	S	.	.	H	α-helix	trans	-70.4	-41	176.7	-173.7	175.5	-173.8	0	0	111.2	I67 C68 E69 H74 L75	I67-E71 HydrophobicContact CB-CB 4.34Å; I67-E71 HydrophobicContact CB-CG 4.33Å; I67-E71 HydrophobicContact CD1-CG 4.27Å; C68-E71 PolarHBondContact O-N 3.08Å; C68-E71 PolarHBondContact SG-N 2.68Å; E69-E71 PolarHBondContact O-N 3.42Å; E71-H74 PolarHBondContact O-N 3.35Å; E71-L75 WeakPolarHBondContact O-CB 3.36Å; E71-L75 PolarHBondContact O-N 3.26Å
72	A	97.6	Very high	96.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-44	175.3	0	0	0	0	0	112.2	I58 L61 I62 I67 C68 E69 L75 G76	I58-A72 HydrophobicContact CG2-CB 4.07Å; L61-A72 HydrophobicContact CB-CB 3.97Å; L61-A72 WeakPolarHBondContact CD1-O 3.26Å; I62-A72 HydrophobicContact CD1-CB 4.38Å; I62-A72 HydrophobicContact CG1-CB 3.57Å; I67-A72 HydrophobicContact CD1-CB 3.83Å; I67-A72 HydrophobicContact CG1-CB 4.07Å; C68-A72 WeakPolarHBondContact O-CB 3.47Å; C68-A72 PolarHBondContact O-N 3.25Å; E69-A72 PolarHBondContact O-N 3.18Å; A72-L75 PolarHBondContact O-N 2.95Å; A72-G76 PolarHBondContact O-N 3.45Å
73	L	97.1	Very high	95.9	Very high	52 Å²	52	63 Å²	63	27%	0.272	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-46.6	174.7	176.4	62.8	0	0	0	110.6	I58 E69 G76 E77 L96 P98	I58-L73 HydrophobicContact CD1-CB 4.36Å; I58-L73 HydrophobicContact CD1-CD1 3.65Å; I58-L73 HydrophobicContact CG1-CD1 4.44Å; E69-L73 VanDerWaalsContact O-CB 3.29Å; E69-L73 WeakPolarHBondContact O-CB 3.46Å; E69-L73 PolarHBondContact O-N 3.42Å; L73-G76 PolarHBondContact O-N 3.28Å; L73-E77 VanDerWaalsContact O-CB 3.31Å; L73-E77 WeakPolarHBondContact O-CB 3.3Å; L73-E77 PolarHBondContact O-N 2.9Å; L73-L96 HydrophobicContact CD1-CB 4.38Å; L73-L96 HydrophobicContact CD1-CD2 4.23Å; L73-L96 HydrophobicContact CD1-CG 4.19Å; L73-P98 HydrophobicContact CD1-CB 4.44Å
74	H	96.6	Very high	95.8	Very high	108 Å²	108	56.6 Å²	56.6	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-45.7	178.3	-176.3	64.8	0	0	0	112.4	E70 E71 E77 M78	E70-H74 WeakPolarHBondContact O-CB 3.47Å; E70-H74 PolarHBondContact O-N 3.25Å; E71-H74 PolarHBondContact O-N 3.35Å; H74-E77 WeakPolarHBondContact O-CB 3.48Å; H74-E77 PolarHBondContact O-N 3.46Å; H74-M78 WeakPolarHBondContact O-CG 3.48Å; H74-M78 PolarHBondContact O-N 3.42Å
75	L	96.5	Very high	95.8	Very high	52 Å²	52	51.9 Å²	51.9	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-45.4	177.1	178.2	60.8	0	0	0	111.5	L61 I67 E71 A72 E77 M78 L79	L61-L75 HydrophobicContact CD1-CD2 4.49Å; L61-L75 HydrophobicContact CD1-CG 4.45Å; L61-L75 HydrophobicContact CD2-CD2 3.97Å; I67-L75 HydrophobicContact CD1-CD2 4.34Å; E71-L75 WeakPolarHBondContact O-CB 3.36Å; E71-L75 PolarHBondContact O-N 3.26Å; A72-L75 PolarHBondContact O-N 2.95Å; L75-E77 VanDerWaalsContact C-N 3.33Å; L75-E77 PolarHBondContact O-N 2.99Å; L75-M78 WeakPolarHBondContact O-CB 3.24Å; L75-M78 PolarHBondContact O-N 2.94Å; L75-L79 PolarHBondContact O-N 3.03Å; L75-L79 VanDerWaalsContact O-N 3.14Å
76	G	96.8	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-38.2	175.7	0	0	0	0	0	112.5	A72 L73 M78 L79 V80 L96	A72-G76 PolarHBondContact O-N 3.45Å; L73-G76 PolarHBondContact O-N 3.28Å; G76-M78 VanDerWaalsContact C-N 3.3Å; G76-M78 PolarHBondContact O-N 3.19Å; G76-L79 WeakPolarHBondContact O-CB 3.16Å; G76-L79 PolarHBondContact O-N 3.28Å; G76-L79 VanDerWaalsContact O-N 3.15Å; G76-V80 PolarHBondContact O-N 3.14Å; G76-V80 VanDerWaalsContact O-N 3.08Å; G76-L96 VanDerWaalsContact C-CD2 3.48Å
77	E	95.6	Very high	95.6	Very high	40 Å²	40	39.6 Å²	39.6	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-38.5	173.7	-166.3	-173.1	177.4	0	0	111.4	L73 H74 L75 L79 V80 K81 L96	L73-E77 VanDerWaalsContact O-CB 3.31Å; L73-E77 WeakPolarHBondContact O-CB 3.3Å; L73-E77 PolarHBondContact O-N 2.9Å; H74-E77 WeakPolarHBondContact O-CB 3.48Å; H74-E77 PolarHBondContact O-N 3.46Å; L75-E77 VanDerWaalsContact C-N 3.33Å; L75-E77 PolarHBondContact O-N 2.99Å; E77-L79 PolarHBondContact O-N 3.41Å; E77-V80 PolarHBondContact O-N 2.99Å; E77-K81 VanDerWaalsContact CD-NZ 3.3Å; E77-K81 HydrophobicContact CG-CD 4.28Å; E77-K81 HydrophobicContact CG-CG 4.48Å; E77-K81 WeakPolarHBondContact O-CB 3.25Å; E77-K81 WeakPolarHBondContact O-CG 3.49Å; E77-K81 PolarHBondContact O-N 3.47Å; E77-K81 WeakPolarHBondContact OE1-CE 3.21Å; E77-K81 IonicContact OE1-NZ 2.76Å; E77-K81 PolarHBondContact OE1-NZ 3Å; E77-K81 IonicContact OE2-NZ 3.81Å; E77-L96 HydrophobicContact CB-CB 4.27Å
78	M	94.6	Very high	95.3	Very high	32 Å²	32	38.7 Å²	38.7	16%	0.158	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-41.5	173.2	-67.6	-56.6	102.6	0	0	111.8	M22 H74 L75 G76 V80 K81 Y82 M202	M22-M78 HydrophobicContact CE-CB 4.02Å; H74-M78 WeakPolarHBondContact O-CG 3.48Å; H74-M78 PolarHBondContact O-N 3.42Å; L75-M78 WeakPolarHBondContact O-CB 3.24Å; L75-M78 PolarHBondContact O-N 2.94Å; G76-M78 VanDerWaalsContact C-N 3.3Å; G76-M78 PolarHBondContact O-N 3.19Å; M78-V80 PolarHBondContact O-N 3.42Å; M78-K81 HydrophobicContact CE-CD 3.71Å; M78-K81 PolarHBondContact O-N 3.18Å; M78-Y82 HydrophobicContact CB-CD2 4.38Å; M78-Y82 VanDerWaalsContact O-CD2 3.22Å; M78-Y82 WeakPolarHBondContact O-CD2 3.32Å; M78-Y82 PolarHBondContact O-N 3.26Å; M78-Y82 HydrophobicContact SD-CE2 4.36Å; M78-M202 HydrophobicContact SD-CE 4.18Å
79	L	95.6	Very high	94.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-36.2	175.4	-63.1	175.5	0	0	0	111.9	M22 V25 L26 M29 L75 G76 E77 G83 Y84 I85	M22-L79 HydrophobicContact CB-CD2 4Å; M22-L79 HydrophobicContact CG-CD2 4.11Å; V25-L79 HydrophobicContact CG1-CD1 4.41Å; L26-L79 HydrophobicContact CD2-CD1 4.39Å; L26-L79 HydrophobicContact CD2-CD2 4.44Å; M29-L79 HydrophobicContact SD-CD1 3.97Å; L75-L79 PolarHBondContact O-N 3.03Å; L75-L79 VanDerWaalsContact O-N 3.14Å; G76-L79 WeakPolarHBondContact O-CB 3.16Å; G76-L79 PolarHBondContact O-N 3.28Å; G76-L79 VanDerWaalsContact O-N 3.15Å; E77-L79 PolarHBondContact O-N 3.41Å; L79-G83 PolarHBondContact O-N 2.92Å; L79-Y84 HydrophobicContact CD2-CD2 4.46Å; L79-Y84 WeakPolarHBondContact O-CB 3.41Å; L79-Y84 PolarHBondContact O-N 3.4Å; L79-I85 HydrophobicContact CB-CD1 4.01Å; L79-I85 HydrophobicContact CB-CG1 4.29Å; L79-I85 HydrophobicContact CD1-CD1 4.06Å; L79-I85 PolarHBondContact O-N 2.97Å
80	V	94.9	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.2	-47.5	174.8	177.4	0	0	0	0	111.5	G76 E77 M78 Y82 G83 I85 L94 L96 Y103	G76-V80 PolarHBondContact O-N 3.14Å; G76-V80 VanDerWaalsContact O-N 3.08Å; E77-V80 PolarHBondContact O-N 2.99Å; M78-V80 PolarHBondContact O-N 3.42Å; V80-Y82 VanDerWaalsContact C-N 3.31Å; V80-Y82 PolarHBondContact O-N 3.3Å; V80-G83 PolarHBondContact O-N 3.37Å; V80-I85 WeakPolarHBondContact CA-O 3.36Å; V80-I85 HydrophobicContact CG2-CB 4.14Å; V80-I85 HydrophobicContact CG2-CG2 4.23Å; V80-L94 HydrophobicContact CG1-CB 4.22Å; V80-L96 HydrophobicContact CG2-CB 4.12Å; V80-L96 HydrophobicContact CG2-CD1 4.4Å; V80-Y103 HydrophobicContact CG2-CD1 4.31Å; V80-Y103 HydrophobicContact CG2-CE1 4.16Å
81	K	92.2	Very high	93.6	Very high	45 Å²	45	35.2 Å²	35.2	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-31	-178	-75.8	-178.5	-178.7	165.4	0	113.7	E77 M78 G83 L94 M202	E77-K81 VanDerWaalsContact CD-NZ 3.3Å; E77-K81 HydrophobicContact CG-CD 4.28Å; E77-K81 HydrophobicContact CG-CG 4.48Å; E77-K81 WeakPolarHBondContact O-CB 3.25Å; E77-K81 WeakPolarHBondContact O-CG 3.49Å; E77-K81 PolarHBondContact O-N 3.47Å; E77-K81 WeakPolarHBondContact OE1-CE 3.21Å; E77-K81 IonicContact OE1-NZ 2.76Å; E77-K81 PolarHBondContact OE1-NZ 3Å; E77-K81 IonicContact OE2-NZ 3.81Å; M78-K81 HydrophobicContact CE-CD 3.71Å; M78-K81 PolarHBondContact O-N 3.18Å; K81-G83 VanDerWaalsContact C-N 3.34Å; K81-L94 WeakPolarHBondContact CG-O 3.46Å; K81-M202 HydrophobicContact CB-CE 3.64Å; K81-M202 HydrophobicContact CB-CG 3.98Å; K81-M202 HydrophobicContact CB-SD 4.12Å; K81-M202 HydrophobicContact CD-CE 3.66Å; K81-M202 HydrophobicContact CD-SD 3.86Å; K81-M202 HydrophobicContact CG-CE 4.23Å; K81-M202 HydrophobicContact CG-SD 4.38Å
82	Y	92	Very high	92.9	Very high	38 Å²	38	36.1 Å²	36.1	15%	0.149	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	0.1	171.9	-73.1	-68.3	0	0	0	113.6	F19 M22 M78 V80 Y84 T112 M202 L203	F19-Y82 AromaticContact CE1-CD1 3.71Å; F19-Y82 HydrophobicContact CE1-CD1 3.71Å; F19-Y82 AromaticContact CE1-CE1 3.74Å; F19-Y82 HydrophobicContact CE1-CE1 3.74Å; F19-Y82 HydrophobicContact CE1-CG 4.41Å; F19-Y82 HydrophobicContact CZ-CD1 4.45Å; F19-Y82 HydrophobicContact CZ-CE1 4.32Å; M22-Y82 HydrophobicContact CE-CD2 3.6Å; M22-Y82 HydrophobicContact CE-CE2 3.7Å; M22-Y82 HydrophobicContact SD-CD2 3.68Å; M22-Y82 HydrophobicContact SD-CE2 4.28Å; M22-Y82 HydrophobicContact SD-CG 4.2Å; M78-Y82 HydrophobicContact CB-CD2 4.38Å; M78-Y82 VanDerWaalsContact O-CD2 3.22Å; M78-Y82 WeakPolarHBondContact O-CD2 3.32Å; M78-Y82 PolarHBondContact O-N 3.26Å; M78-Y82 HydrophobicContact SD-CE2 4.36Å; V80-Y82 VanDerWaalsContact C-N 3.31Å; V80-Y82 PolarHBondContact O-N 3.3Å; Y82-Y84 VanDerWaalsContact C-N 3.33Å; Y82-Y84 PolarHBondContact O-N 2.88Å; Y82-T112 WeakPolarHBondContact O-CG2 3.37Å; Y82-M202 HydrophobicContact CE1-CB 4.31Å; Y82-M202 WeakPolarHBondContact CE1-O 3.25Å; Y82-M202 HydrophobicContact CE2-CE 4.35Å; Y82-L203 HydrophobicContact CD1-CD2 4.38Å
83	G	92.7	Very high	92.3	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	15.2	170.7	0	0	0	0	0	115.7	L79 V80 K81 I85 Q106 I192	L79-G83 PolarHBondContact O-N 2.92Å; V80-G83 PolarHBondContact O-N 3.37Å; K81-G83 VanDerWaalsContact C-N 3.34Å; G83-I85 VanDerWaalsContact C-N 3.3Å; G83-Q106 WeakPolarHBondContact O-CB 3.27Å; G83-Q106 WeakPolarHBondContact O-CG 3.44Å; G83-I192 VanDerWaalsContact N-CD1 3.27Å
84	Y	94.9	Very high	92	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-72.4	-30.8	172.2	-77.9	-61.6	0	0	0	111.1	F19 M22 E23 L26 L79 Y82 Q106 W111	F19-Y84 WeakPolarHBondContact CB-OH 3.42Å; M22-Y84 HydrophobicContact CB-CD2 4.11Å; M22-Y84 HydrophobicContact CB-CE2 3.76Å; M22-Y84 HydrophobicContact CG-CE2 4.46Å; M22-Y84 HydrophobicContact SD-CD2 4.18Å; M22-Y84 HydrophobicContact SD-CE2 3.89Å; E23-Y84 HydrophobicContact CG-CE1 3.61Å; E23-Y84 PolarHBondContact OE1-OH 3.19Å; L26-Y84 HydrophobicContact CD1-CD1 3.47Å; L26-Y84 VanDerWaalsContact CD1-CD1 3.47Å; L26-Y84 HydrophobicContact CD1-CE1 4.48Å; L26-Y84 HydrophobicContact CD1-CG 3.88Å; L26-Y84 HydrophobicContact CG-CD1 4.13Å; L26-Y84 HydrophobicContact CG-CG 4.24Å; L79-Y84 HydrophobicContact CD2-CD2 4.46Å; L79-Y84 WeakPolarHBondContact O-CB 3.41Å; L79-Y84 PolarHBondContact O-N 3.4Å; Y82-Y84 VanDerWaalsContact C-N 3.33Å; Y82-Y84 PolarHBondContact O-N 2.88Å; Y84-Q106 WeakPolarHBondContact O-CB 3.43Å; Y84-Q106 PolarHBondContact O-N 3.46Å; Y84-W111 AromaticContact CD1-CD1 3.8Å; Y84-W111 AromaticContact CD1-CD2 3.97Å; Y84-W111 HydrophobicContact CD1-CD2 3.97Å; Y84-W111 AromaticContact CD1-CE2 3.96Å; Y84-W111 AromaticContact CD1-CG 3.88Å; Y84-W111 HydrophobicContact CD1-CG 3.88Å; Y84-W111 AromaticContact CD1-NE1 3.86Å; Y84-W111 HydrophobicContact CE1-CB 3.92Å; Y84-W111 AromaticContact CE1-CD2 3.64Å; Y84-W111 HydrophobicContact CE1-CD2 3.64Å; Y84-W111 HydrophobicContact CE1-CE3 4.06Å; Y84-W111 AromaticContact CE1-CG 3.59Å; Y84-W111 HydrophobicContact CE1-CG 3.59Å
85	I	95.6	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.2	173.9	-57.7	176.2	0	0	0	107.7	L26 M29 I57 L79 V80 G83 Y103 R104 F105	L26-I85 HydrophobicContact CD2-CD1 4.28Å; L26-I85 HydrophobicContact CD2-CG1 4.1Å; M29-I85 HydrophobicContact CE-CD1 3.97Å; I57-I85 HydrophobicContact CD1-CD1 4.12Å; I57-I85 HydrophobicContact CD1-CG2 4.07Å; L79-I85 HydrophobicContact CB-CD1 4.01Å; L79-I85 HydrophobicContact CB-CG1 4.29Å; L79-I85 HydrophobicContact CD1-CD1 4.06Å; L79-I85 PolarHBondContact O-N 2.97Å; V80-I85 WeakPolarHBondContact CA-O 3.36Å; V80-I85 HydrophobicContact CG2-CB 4.14Å; V80-I85 HydrophobicContact CG2-CG2 4.23Å; G83-I85 VanDerWaalsContact C-N 3.3Å; I85-Y103 HydrophobicContact CG2-CD1 3.97Å; I85-Y103 HydrophobicContact CG2-CG 4.17Å; I85-R104 WeakPolarHBondContact CA-O 3.29Å; I85-F105 HydrophobicContact CD1-CD1 4.32Å; I85-F105 HydrophobicContact CD1-CE1 3.87Å; I85-F105 HydrophobicContact CG1-CD1 3.78Å; I85-F105 HydrophobicContact CG1-CE1 3.85Å
86	Y	95.1	Very high	91.7	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.7	176.3	62.5	-88	0	0	0	112.1	L88 Y103 R104 F105 Q106 C184 Q185 A188	Y86-L88 HydrophobicContact CD2-CD2 4.38Å; Y86-L88 HydrophobicContact CE2-CD2 3.74Å; Y86-Y103 WeakPolarHBondContact O-CA 3.44Å; Y86-R104 WeakPolarHBondContact CD1-O 3.08Å; Y86-R104 HydrophobicContact CE1-CB 3.98Å; Y86-R104 HydrophobicContact CE2-CB 4.02Å; Y86-R104 PolarHBondContact N-O 3.41Å; Y86-R104 PolarHBondContact O-N 3.17Å; Y86-R104 WeakPolarHBondContact OH-CB 3.39Å; Y86-F105 WeakPolarHBondContact CE1-O 3.03Å; Y86-Q106 HydrophobicContact CD1-CB 4.19Å; Y86-Q106 HydrophobicContact CE1-CB 4.43Å; Y86-C184 HydrophobicContact CD2-CB 4.2Å; Y86-C184 HydrophobicContact CE2-CB 3.67Å; Y86-Q185 HydrophobicContact CE1-CG 3.7Å; Y86-Q185 WeakPolarHBondContact OH-CG 3.43Å; Y86-A188 VanDerWaalsContact CB-CB 3.46Å; Y86-A188 HydrophobicContact CD1-CB 4.32Å; Y86-A188 HydrophobicContact CD2-CB 4.34Å; Y86-A188 HydrophobicContact CG-CB 3.8Å
87	P	94.5	Very high	91.6	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.1	177.5	27.8	-31	0	0	0	111.2	C93 Y103	P87-C93 WeakPolarHBondContact CG-O 3.3Å; P87-Y103 HydrophobicContact CB-CD1 3.92Å; P87-Y103 HydrophobicContact CB-CE1 3.62Å; P87-Y103 HydrophobicContact CG-CE1 4.36Å
88	L	91.3	Very high	91.5	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.052	19%	0.185	C	C	.	.	S	Bend	trans	-85.8	-24.7	173.5	-63.7	-178.6	0	0	0	112.4	L43 I48 A51 Y86 P102 R104	L43-L88 HydrophobicContact CD1-CB 4.35Å; I48-L88 HydrophobicContact CB-CD1 4.29Å; I48-L88 HydrophobicContact CG2-CD1 3.86Å; A51-L88 HydrophobicContact CB-CD1 4.07Å; Y86-L88 HydrophobicContact CD2-CD2 4.38Å; Y86-L88 HydrophobicContact CE2-CD2 3.74Å; L88-P102 HydrophobicContact CB-CB 4.41Å; L88-P102 HydrophobicContact CB-CG 4.11Å; L88-P102 HydrophobicContact CD1-CB 4.23Å; L88-P102 PolarHBondContact N-O 3.49Å; L88-R104 HydrophobicContact CD1-CG 3.94Å; L88-R104 HydrophobicContact CD2-CB 4.41Å; L88-R104 HydrophobicContact CD2-CG 4.02Å; L88-R104 HydrophobicContact CG-CG 4.14Å
89	K	86.9	Confident	91.5	Very high	117 Å²	117	39.6 Å²	39.6	51%	0.509	20%	0.195	S	C	.	.	S	Bend	trans	-104.3	133.7	174.3	-173.9	179.9	174.9	-172.3	0	108.5
90	E	85.4	Confident	91.3	Very high	89 Å²	89	45.2 Å²	45.2	42%	0.416	22%	0.221	S	C	.	.	S	Bend	trans	54.5	60.9	-178.9	-62.1	161.7	-118.6	0	0	113	R92 C93 R97	E90-R92 PolarHBondContact O-N 3.33Å; E90-C93 HydrophobicContact CB-CB 4.42Å; E90-C93 PolarHBondContact O-N 2.84Å; E90-R97 IonicContact OE1-CZ 3.62Å; E90-R97 IonicContact OE1-NH1 3.87Å; E90-R97 PolarHBondContact OE1-NH1 3.36Å; E90-R97 IonicContact OE1-NH2 2.68Å; E90-R97 IonicContact OE2-CZ 3.72Å; E90-R97 IonicContact OE2-NH1 2.83Å; E90-R97 PolarHBondContact OE2-NH1 3.46Å; E90-R97 IonicContact OE2-NH2 2.93Å; E90-R97 PolarHBondContact OE2-NH2 3.19Å
91	P	81.4	Confident	91.3	Very high	36 Å²	36	45.8 Å²	45.8	23%	0.234	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.8	-168.8	24.3	-35.4	0	0	0	115.1	L191	P91-L191 WeakPolarHBondContact O-CD1 3.31Å
92	R	83.5	Confident	91.3	Very high	128 Å²	128	44.2 Å²	44.2	48%	0.483	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-15.1	177.9	-60.7	179.8	-173.8	166.9	-0	113.2	E90 L94 M139 L191	E90-R92 PolarHBondContact O-N 3.33Å; R92-L94 PolarHBondContact O-N 3.28Å; R92-M139 VanDerWaalsContact CZ-SD 3.57Å; R92-M139 VanDerWaalsContact NH1-CE 3.31Å; R92-M139 PolarHBondContact NH1-SD 3.38Å; R92-M139 PolarHBondContact NH2-SD 2.92Å; R92-L191 HydrophobicContact CG-CD1 4.43Å; R92-L191 HydrophobicContact CG-CD2 4.39Å
93	C	85.9	Confident	91.5	Very high	45 Å²	45	42.6 Å²	42.6	30%	0.304	21%	0.213	S	C	.	.			trans	-94.7	90	177.9	-169.1	0	0	0	0	109	P87 E90 V95	P87-C93 WeakPolarHBondContact CG-O 3.3Å; E90-C93 HydrophobicContact CB-CB 4.42Å; E90-C93 PolarHBondContact O-N 2.84Å; C93-V95 PolarHBondContact O-N 3.17Å
94	L	89.3	Confident	91.6	Very high	32 Å²	32	44 Å²	44	17%	0.168	22%	0.218	C	C	.	.			trans	-78.2	57.4	179.3	-61.8	177.9	0	0	0	111.5	V80 K81 R92 L191 I192	V80-L94 HydrophobicContact CG1-CB 4.22Å; K81-L94 WeakPolarHBondContact CG-O 3.46Å; R92-L94 PolarHBondContact O-N 3.28Å; L94-L191 HydrophobicContact CD1-CB 4.29Å; L94-I192 HydrophobicContact CD1-CD1 4.32Å; L94-I192 HydrophobicContact CD1-CG1 3.58Å
95	V	91.6	Very high	91.7	Very high	57 Å²	57	45.1 Å²	45.1	35%	0.345	22%	0.223	S	C	.	.			trans	-125.9	138	179.9	-179.5	0	0	0	0	108.9	C93 Y103	C93-V95 PolarHBondContact O-N 3.17Å; V95-Y103 PolarHBondContact O-OH 3.4Å
96	L	95.5	Very high	91.7	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	22%	0.224	C	C	.	.			trans	-80.5	121.9	170.6	-177.4	62.2	0	0	0	109.2	I57 I58 L73 G76 E77 V80 Y103	I57-L96 HydrophobicContact CD1-CD1 3.86Å; I57-L96 HydrophobicContact CG2-CD2 4.06Å; I58-L96 HydrophobicContact CD1-CD2 4.35Å; I58-L96 HydrophobicContact CG1-CD2 3.96Å; L73-L96 HydrophobicContact CD1-CB 4.38Å; L73-L96 HydrophobicContact CD1-CD2 4.23Å; L73-L96 HydrophobicContact CD1-CG 4.19Å; G76-L96 VanDerWaalsContact C-CD2 3.48Å; E77-L96 HydrophobicContact CB-CB 4.27Å; V80-L96 HydrophobicContact CG2-CB 4.12Å; V80-L96 HydrophobicContact CG2-CD1 4.4Å; L96-Y103 WeakPolarHBondContact CA-OH 3.46Å; L96-Y103 HydrophobicContact CD1-CD2 4.26Å; L96-Y103 HydrophobicContact CD1-CE1 4.14Å; L96-Y103 HydrophobicContact CD1-CE2 3.84Å
97	R	94.9	Very high	91.5	Very high	73 Å²	73	47.5 Å²	47.5	28%	0.275	24%	0.237	S	C	.	.			trans	-97.8	131	174.4	-66.5	-176.7	176.2	162.3	2.7	109	G54 E90 D99 Y103	G54-R97 VanDerWaalsContact CA-O 3.29Å; G54-R97 WeakPolarHBondContact CA-O 3.45Å; E90-R97 IonicContact OE1-CZ 3.62Å; E90-R97 IonicContact OE1-NH1 3.87Å; E90-R97 PolarHBondContact OE1-NH1 3.36Å; E90-R97 IonicContact OE1-NH2 2.68Å; E90-R97 IonicContact OE2-CZ 3.72Å; E90-R97 IonicContact OE2-NH1 2.83Å; E90-R97 PolarHBondContact OE2-NH1 3.46Å; E90-R97 IonicContact OE2-NH2 2.93Å; E90-R97 PolarHBondContact OE2-NH2 3.19Å; R97-D99 WeakPolarHBondContact CB-OD1 3.42Å; R97-D99 PolarHBondContact O-N 3.22Å; R97-Y103 PolarHBondContact N-OH 2.95Å
98	P	93.9	Very high	91.3	Very high	74 Å²	74	50.8 Å²	50.8	48%	0.481	26%	0.259	S	S	.	.	S	Bend	trans	-78.1	47.4	179.4	34.6	-37.4	0	0	0	112	I58 L73	I58-P98 HydrophobicContact CD1-CB 3.44Å; I58-P98 VanDerWaalsContact CD1-CB 3.44Å; L73-P98 HydrophobicContact CD1-CB 4.44Å
99	D	93.6	Very high	91.1	Very high	70 Å²	70	56.7 Å²	56.7	37%	0.374	28%	0.281	S	S	.	.	S	Bend	trans	-137.4	-169.3	-175	68.6	1.1	0	0	0	111.2	G54 H55 R97 S101	G54-D99 PolarHBondContact N-O 3.38Å; G54-D99 VanDerWaalsContact N-O 3.14Å; H55-D99 PolarHBondContact N-O 2.73Å; R97-D99 WeakPolarHBondContact CB-OD1 3.42Å; R97-D99 PolarHBondContact O-N 3.22Å; D99-S101 VanDerWaalsContact CG-OG 3.28Å; D99-S101 PolarHBondContact O-N 2.82Å; D99-S101 VanDerWaalsContact O-N 3.1Å; D99-S101 WeakPolarHBondContact OD1-CA 3.48Å; D99-S101 WeakPolarHBondContact OD1-CB 3.34Å; D99-S101 PolarHBondContact OD1-N 3.06Å; D99-S101 PolarHBondContact OD1-OG 3.22Å; D99-S101 PolarHBondContact OD2-OG 2.82Å
100	E	93.3	Very high	91.3	Very high	118 Å²	118	52.7 Å²	52.7	55%	0.551	26%	0.264	S	S	*	.	S	Bend	trans	-74.1	11.7	176.9	-61.2	-61.9	126.8	0	0	113.3	T53	T53-E100 WeakPolarHBondContact CG2-OE2 3.43Å
101	S	93.3	Very high	91.4	Very high	12 Å²	12	49.8 Å²	49.8	8%	0.084	25%	0.249	C	C	.	.			trans	-60.2	132.3	175.5	-68.8	0	0	0	0	109.9	T53 G54 D99 Y103	T53-S101 CarbonylContact C-O 3.6Å; T53-S101 WeakPolarHBondContact CA-O 3.45Å; G54-S101 PolarHBondContact N-O 3.43Å; D99-S101 VanDerWaalsContact CG-OG 3.28Å; D99-S101 PolarHBondContact O-N 2.82Å; D99-S101 VanDerWaalsContact O-N 3.1Å; D99-S101 WeakPolarHBondContact OD1-CA 3.48Å; D99-S101 WeakPolarHBondContact OD1-CB 3.34Å; D99-S101 PolarHBondContact OD1-N 3.06Å; D99-S101 PolarHBondContact OD1-OG 3.22Å; D99-S101 PolarHBondContact OD2-OG 2.82Å; S101-Y103 WeakPolarHBondContact O-CD2 3.48Å; S101-Y103 VanDerWaalsContact O-CE2 3.22Å; S101-Y103 WeakPolarHBondContact O-CE2 3.32Å
102	P	93.9	Very high	91.3	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.3	-172.3	33	-34.9	0	0	0	113.4	Q41 M52 L88	Q41-P102 HydrophobicContact CB-CB 4.4Å; Q41-P102 HydrophobicContact CG-CB 3.68Å; Q41-P102 HydrophobicContact CG-CG 4.16Å; M52-P102 CarbonylContact O-C 3.59Å; M52-P102 WeakPolarHBondContact O-CA 3.27Å; L88-P102 HydrophobicContact CB-CB 4.41Å; L88-P102 HydrophobicContact CB-CG 4.11Å; L88-P102 HydrophobicContact CD1-CB 4.23Å; L88-P102 PolarHBondContact N-O 3.49Å
103	Y	95.4	Very high	90.6	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	161.1	-178.7	-65.8	-92.6	0	0	0	111.3	A51 M52 I57 V80 I85 Y86 P87 V95 L96 R97 S101	A51-Y103 WeakPolarHBondContact CA-O 3.38Å; M52-Y103 PolarHBondContact N-O 3.48Å; M52-Y103 PolarHBondContact O-N 2.77Å; I57-Y103 HydrophobicContact CD1-CD2 4.19Å; I57-Y103 HydrophobicContact CD1-CG 4.08Å; V80-Y103 HydrophobicContact CG2-CD1 4.31Å; V80-Y103 HydrophobicContact CG2-CE1 4.16Å; I85-Y103 HydrophobicContact CG2-CD1 3.97Å; I85-Y103 HydrophobicContact CG2-CG 4.17Å; Y86-Y103 WeakPolarHBondContact O-CA 3.44Å; P87-Y103 HydrophobicContact CB-CD1 3.92Å; P87-Y103 HydrophobicContact CB-CE1 3.62Å; P87-Y103 HydrophobicContact CG-CE1 4.36Å; V95-Y103 PolarHBondContact O-OH 3.4Å; L96-Y103 WeakPolarHBondContact CA-OH 3.46Å; L96-Y103 HydrophobicContact CD1-CD2 4.26Å; L96-Y103 HydrophobicContact CD1-CE1 4.14Å; L96-Y103 HydrophobicContact CD1-CE2 3.84Å; R97-Y103 PolarHBondContact N-OH 2.95Å; S101-Y103 WeakPolarHBondContact O-CD2 3.48Å; S101-Y103 VanDerWaalsContact O-CE2 3.22Å; S101-Y103 WeakPolarHBondContact O-CE2 3.32Å
104	R	95.4	Very high	89.6	Confident	32 Å²	32	44.2 Å²	44.2	12%	0.121	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.8	171.3	-77.6	-169.2	75.1	141.2	8.5	111.9	P49 A51 I85 Y86 L88	P49-R104 PolarHBondContact O-NH1 2.64Å; P49-R104 PolarHBondContact O-NH2 3.33Å; A51-R104 HydrophobicContact CB-CG 4.17Å; I85-R104 WeakPolarHBondContact CA-O 3.29Å; Y86-R104 WeakPolarHBondContact CD1-O 3.08Å; Y86-R104 HydrophobicContact CE1-CB 3.98Å; Y86-R104 HydrophobicContact CE2-CB 4.02Å; Y86-R104 PolarHBondContact N-O 3.41Å; Y86-R104 PolarHBondContact O-N 3.17Å; Y86-R104 WeakPolarHBondContact OH-CB 3.39Å; L88-R104 HydrophobicContact CD1-CG 3.94Å; L88-R104 HydrophobicContact CD2-CB 4.41Å; L88-R104 HydrophobicContact CD2-CG 4.02Å; L88-R104 HydrophobicContact CG-CG 4.14Å
105	F	96.1	Very high	88.1	Confident	25 Å²	25	52.5 Å²	52.5	11%	0.11	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.6	168.3	-68.2	-54.4	0	0	0	111.7	L26 M29 Q30 M36 M38 M52 I85 Y86	L26-F105 HydrophobicContact CD1-CD1 4.48Å; L26-F105 HydrophobicContact CD2-CD1 3.87Å; L26-F105 HydrophobicContact CD2-CE1 3.68Å; M29-F105 HydrophobicContact CB-CE1 4.24Å; M29-F105 HydrophobicContact CB-CE2 4.46Å; M29-F105 HydrophobicContact CB-CZ 3.62Å; M29-F105 HydrophobicContact CE-CE1 4.1Å; M29-F105 HydrophobicContact CE-CZ 4.11Å; M29-F105 HydrophobicContact SD-CE1 4.24Å; M29-F105 HydrophobicContact SD-CZ 4.42Å; Q30-F105 HydrophobicContact CB-CE2 4.43Å; Q30-F105 VanDerWaalsContact CD-CD2 3.49Å; Q30-F105 HydrophobicContact CG-CD2 3.3Å; Q30-F105 HydrophobicContact CG-CE2 3.17Å; Q30-F105 HydrophobicContact CG-CG 4.03Å; Q30-F105 HydrophobicContact CG-CZ 3.91Å; M36-F105 HydrophobicContact SD-CZ 4.34Å; M38-F105 HydrophobicContact CE-CD2 3.72Å; M38-F105 HydrophobicContact CE-CE2 3.07Å; M38-F105 HydrophobicContact CE-CZ 3.86Å; M52-F105 HydrophobicContact CE-CB 4.5Å; M52-F105 HydrophobicContact CE-CD1 3.82Å; M52-F105 HydrophobicContact CE-CD2 3.54Å; M52-F105 HydrophobicContact CE-CE1 3.74Å; M52-F105 HydrophobicContact CE-CE2 3.55Å; M52-F105 HydrophobicContact CE-CG 3.67Å; M52-F105 HydrophobicContact CE-CZ 3.58Å; M52-F105 HydrophobicContact SD-CE1 4.07Å; M52-F105 HydrophobicContact SD-CE2 4.22Å; M52-F105 HydrophobicContact SD-CZ 3.79Å; I85-F105 HydrophobicContact CD1-CD1 4.32Å; I85-F105 HydrophobicContact CD1-CE1 3.87Å; I85-F105 HydrophobicContact CG1-CD1 3.78Å; I85-F105 HydrophobicContact CG1-CE1 3.85Å; Y86-F105 WeakPolarHBondContact CE1-O 3.03Å
106	Q	94.8	Very high	86.7	Confident	5 Å²	5	56.6 Å²	56.6	2%	0.023	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-75.4	146.9	169.9	-174.5	60.6	-78.8	0	0	110.9	G83 Y84 Y86 F110 W111 Q185	G83-Q106 WeakPolarHBondContact O-CB 3.27Å; G83-Q106 WeakPolarHBondContact O-CG 3.44Å; Y84-Q106 WeakPolarHBondContact O-CB 3.43Å; Y84-Q106 PolarHBondContact O-N 3.46Å; Y86-Q106 HydrophobicContact CD1-CB 4.19Å; Y86-Q106 HydrophobicContact CE1-CB 4.43Å; Q106-F110 HydrophobicContact CG-CB 3.68Å; Q106-W111 PolarHBondContact O-NE1 3.48Å; Q106-Q185 PolarHBondContact NE2-O 2.99Å
107	T	91.9	Very high	85.4	Confident	47 Å²	47	61.4 Å²	61.4	29%	0.288	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-70	142.4	173.9	178.7	0	0	0	0	110.9	Y109 F110 W111	T107-Y109 PolarHBondContact O-N 2.85Å; T107-F110 HydrophobicContact CG2-CB 4.22Å; T107-F110 HydrophobicContact CG2-CD2 3.49Å; T107-F110 VanDerWaalsContact CG2-CD2 3.49Å; T107-F110 HydrophobicContact CG2-CE2 4.19Å; T107-F110 HydrophobicContact CG2-CG 4.11Å; T107-F110 PolarHBondContact O-N 2.96Å; T107-W111 VanDerWaalsContact O-CD1 3.28Å
108	P	89.9	Confident	84.6	Confident	76 Å²	76	58.2 Å²	58.2	49%	0.494	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-52.7	-27.2	177	-29.4	35.9	0	0	0	115.1	F110 W111	P108-F110 PolarHBondContact O-N 3.47Å; P108-W111 HydrophobicContact CB-CD2 4.12Å; P108-W111 HydrophobicContact CB-CE3 4.28Å; P108-W111 HydrophobicContact CB-CZ2 4.43Å; P108-W111 HydrophobicContact CG-CD2 4.5Å; P108-W111 HydrophobicContact CG-CH2 4.27Å; P108-W111 HydrophobicContact CG-CZ2 3.95Å; P108-W111 PolarHBondContact O-N 3.5Å
109	Y	87.4	Confident	84.2	Confident	133 Å²	133	56.6 Å²	56.6	52%	0.522	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-59.4	-30.6	174.6	179.6	-100.1	0	0	0	113.2	T2 T107	T2-Y109 WeakPolarHBondContact CG2-OH 3.17Å; T2-Y109 PolarHBondContact OG1-OH 3.31Å; T2-Y109 VanDerWaalsContact OG1-OH 3.09Å; T107-Y109 PolarHBondContact O-N 2.85Å
110	F	90.3	Very high	84	Confident	34 Å²	34	56.9 Å²	56.9	15%	0.149	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-102.9	11.4	-179.9	-72	-41.9	0	0	0	113.3	Q106 T107 P108 Q185 E186 Y189	Q106-F110 HydrophobicContact CG-CB 3.68Å; T107-F110 HydrophobicContact CG2-CB 4.22Å; T107-F110 HydrophobicContact CG2-CD2 3.49Å; T107-F110 VanDerWaalsContact CG2-CD2 3.49Å; T107-F110 HydrophobicContact CG2-CE2 4.19Å; T107-F110 HydrophobicContact CG2-CG 4.11Å; T107-F110 PolarHBondContact O-N 2.96Å; P108-F110 PolarHBondContact O-N 3.47Å; F110-Q185 HydrophobicContact CD2-CB 4.21Å; F110-Q185 HydrophobicContact CE2-CB 4.17Å; F110-E186 HydrophobicContact CE2-CB 4.29Å; F110-E186 HydrophobicContact CZ-CB 4.19Å; F110-E186 HydrophobicContact CZ-CG 4.26Å; F110-Y189 HydrophobicContact CB-CD2 3.7Å; F110-Y189 HydrophobicContact CB-CE2 4.5Å; F110-Y189 HydrophobicContact CB-CG 4.17Å; F110-Y189 AromaticContact CD1-CD1 3.94Å; F110-Y189 HydrophobicContact CD1-CD1 3.94Å; F110-Y189 AromaticContact CD1-CD2 3.48Å; F110-Y189 HydrophobicContact CD1-CD2 3.48Å; F110-Y189 VanDerWaalsContact CD1-CD2 3.48Å; F110-Y189 HydrophobicContact CD1-CE1 4.37Å; F110-Y189 AromaticContact CD1-CE2 3.94Å; F110-Y189 HydrophobicContact CD1-CE2 3.94Å; F110-Y189 AromaticContact CD1-CG 3.47Å; F110-Y189 HydrophobicContact CD1-CG 3.47Å; F110-Y189 VanDerWaalsContact CD1-CG 3.47Å; F110-Y189 HydrophobicContact CE1-CD1 4.08Å; F110-Y189 HydrophobicContact CE1-CD2 4.41Å; F110-Y189 HydrophobicContact CE1-CG 4.02Å; F110-Y189 AromaticContact CG-CD2 3.9Å; F110-Y189 HydrophobicContact CG-CD2 3.9Å; F110-Y189 AromaticContact CG-CG 3.95Å; F110-Y189 HydrophobicContact CG-CG 3.95Å
111	W	88.6	Confident	83.9	Confident	28 Å²	28	53.4 Å²	53.4	11%	0.106	26%	0.262	C	S	.	.			trans	-70	143.3	174.8	-70.6	1.1	0	0	0	111.2	E23 L26 Y84 Q106 T107 P108 S113 T114	E23-W111 HydrophobicContact CB-CE3 4.42Å; E23-W111 HydrophobicContact CB-CH2 4.35Å; E23-W111 HydrophobicContact CB-CZ3 3.83Å; E23-W111 HydrophobicContact CG-CD2 4.37Å; E23-W111 HydrophobicContact CG-CE3 3.53Å; E23-W111 HydrophobicContact CG-CH2 4.22Å; E23-W111 HydrophobicContact CG-CZ3 3.44Å; E23-W111 VanDerWaalsContact CG-CZ3 3.44Å; L26-W111 HydrophobicContact CB-CZ2 4.47Å; L26-W111 HydrophobicContact CD1-CH2 4.45Å; L26-W111 HydrophobicContact CD1-CZ2 3.62Å; Y84-W111 AromaticContact CD1-CD1 3.8Å; Y84-W111 AromaticContact CD1-CD2 3.97Å; Y84-W111 HydrophobicContact CD1-CD2 3.97Å; Y84-W111 AromaticContact CD1-CE2 3.96Å; Y84-W111 AromaticContact CD1-CG 3.88Å; Y84-W111 HydrophobicContact CD1-CG 3.88Å; Y84-W111 AromaticContact CD1-NE1 3.86Å; Y84-W111 HydrophobicContact CE1-CB 3.92Å; Y84-W111 AromaticContact CE1-CD2 3.64Å; Y84-W111 HydrophobicContact CE1-CD2 3.64Å; Y84-W111 HydrophobicContact CE1-CE3 4.06Å; Y84-W111 AromaticContact CE1-CG 3.59Å; Y84-W111 HydrophobicContact CE1-CG 3.59Å; Q106-W111 PolarHBondContact O-NE1 3.48Å; T107-W111 VanDerWaalsContact O-CD1 3.28Å; P108-W111 HydrophobicContact CB-CD2 4.12Å; P108-W111 HydrophobicContact CB-CE3 4.28Å; P108-W111 HydrophobicContact CB-CZ2 4.43Å; P108-W111 HydrophobicContact CG-CD2 4.5Å; P108-W111 HydrophobicContact CG-CH2 4.27Å; P108-W111 HydrophobicContact CG-CZ2 3.95Å; P108-W111 PolarHBondContact O-N 3.5Å; W111-S113 PolarHBondContact O-N 2.7Å; W111-T114 WeakPolarHBondContact O-CB 3.06Å; W111-T114 WeakPolarHBondContact O-CG2 3.09Å; W111-T114 PolarHBondContact O-N 2.56Å; W111-T114 VanDerWaalsContact O-N 3.07Å; W111-T114 PolarHBondContact O-OG1 2.88Å
112	T	78.2	Confident	83.8	Confident	24 Å²	24	55.1 Å²	55.1	15%	0.147	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.4	-179	48.2	0	0	0	0	113.7	Y82 T114 I192 L203	Y82-T112 WeakPolarHBondContact O-CG2 3.37Å; T112-T114 VanDerWaalsContact C-N 3.29Å; T112-I192 HydrophobicContact CG2-CG2 4.32Å; T112-L203 HydrophobicContact CG2-CD2 3.86Å
113	S	70.6	Confident	83.8	Confident	16 Å²	16	54.9 Å²	54.9	11%	0.112	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14.4	174	54.1	0	0	0	0	115.3	Q15 E23 W111 R115	Q15-S113 PolarHBondContact NE2-O 2.71Å; E23-S113 WeakPolarHBondContact OE1-CB 3.4Å; E23-S113 PolarHBondContact OE1-OG 3.39Å; W111-S113 PolarHBondContact O-N 2.7Å; S113-R115 PolarHBondContact O-N 2.71Å
114	T	65.1	Low	83.8	Confident	52 Å²	52	54.8 Å²	54.8	32%	0.319	27%	0.267	S	S	.	.	S	Bend	trans	-59.9	127.8	177.7	51.5	0	0	0	0	108.6	W111 T112 W116	W111-T114 WeakPolarHBondContact O-CB 3.06Å; W111-T114 WeakPolarHBondContact O-CG2 3.09Å; W111-T114 PolarHBondContact O-N 2.56Å; W111-T114 VanDerWaalsContact O-N 3.07Å; W111-T114 PolarHBondContact O-OG1 2.88Å; T112-T114 VanDerWaalsContact C-N 3.29Å; T114-W116 PolarHBondContact O-N 3.38Å
115	R	57.1	Low	83.8	Confident	205 Å²	205	53.7 Å²	53.7	77%	0.774	26%	0.264	S	S	*	.	S	Bend	trans	-59.4	-7.9	-171.6	-80.2	-180	170.3	178	-4.9	114.9	S113	S113-R115 PolarHBondContact O-N 2.71Å
116	W	62.1	Low	83.7	Confident	143 Å²	143	53.3 Å²	53.3	54%	0.542	26%	0.262	S	S	.	.	S	Bend	trans	-107.5	110.7	-172.1	-54	111.6	0	0	0	108.6	L6 T114	L6-W116 HydrophobicContact CD2-CH2 4.43Å; L6-W116 HydrophobicContact CG-CH2 4.4Å; T114-W116 PolarHBondContact O-N 3.38Å
117	P	67.6	Low	83.7	Confident	106 Å²	106	53.1 Å²	53.1	69%	0.688	26%	0.261	S	S	*	.			trans	-60.2	146.9	174.7	26.6	-33.3	0	0	0	109.2	S119	P117-S119 PolarHBondContact O-N 2.82Å
118	A	78.1	Confident	83.8	Confident	6 Å²	6	50.9 Å²	50.9	5%	0.05	25%	0.247	C	C	.	.			trans	-55.6	114.6	176.4	0	0	0	0	0	109.8	Y189 W190 N193 R194	A118-Y189 WeakPolarHBondContact CA-OH 3.4Å; A118-Y189 HydrophobicContact CB-CE1 4.13Å; A118-Y189 VanDerWaalsContact CB-OH 3.22Å; A118-Y189 WeakPolarHBondContact CB-OH 3.26Å; A118-W190 HydrophobicContact CB-CH2 3.98Å; A118-W190 HydrophobicContact CB-CZ3 3.63Å; A118-N193 HydrophobicContact CB-CB 3.65Å; A118-R194 PolarHBondContact O-NH2 2.96Å
119	S	86.3	Confident	84	Confident	41 Å²	41	48.6 Å²	48.6	29%	0.287	23%	0.229	S	C	.	.			trans	-77.4	154.8	-174.1	81.7	0	0	0	0	111.4	P117 L121 D122 Y123	P117-S119 PolarHBondContact O-N 2.82Å; S119-L121 PolarHBondContact O-N 3.35Å; S119-L121 PolarHBondContact OG-N 3.09Å; S119-D122 WeakPolarHBondContact CB-OD2 3.31Å; S119-D122 PolarHBondContact O-N 3.32Å; S119-D122 WeakPolarHBondContact OG-CB 3.18Å; S119-D122 PolarHBondContact OG-N 2.88Å; S119-D122 PolarHBondContact OG-OD2 3.08Å; S119-Y123 PolarHBondContact O-N 2.86Å; S119-Y123 VanDerWaalsContact O-N 3.17Å
120	E	88.6	Confident	84.2	Confident	75 Å²	75	42.8 Å²	42.8	35%	0.35	21%	0.207	S	C	.	.	H	α-helix	trans	-61.8	-33.2	173	-64.4	-163.3	135	0	0	112.1	Y123 A124 L149 R152	E120-Y123 PolarHBondContact O-N 3.35Å; E120-A124 WeakPolarHBondContact O-CB 3.32Å; E120-A124 PolarHBondContact O-N 3.2Å; E120-L149 HydrophobicContact CB-CD2 3.83Å; E120-L149 HydrophobicContact CG-CD2 4.37Å; E120-R152 IonicContact OE1-CZ 2.81Å; E120-R152 IonicContact OE1-NH1 3.88Å; E120-R152 PolarHBondContact OE1-NH1 3.38Å; E120-R152 WeakPolarHBondContact OE2-CD 3.3Å; E120-R152 IonicContact OE2-NH1 2.85Å
121	L	92.3	Very high	84.3	Confident	45 Å²	45	43.6 Å²	43.6	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-48.2	177.5	-177.3	68.2	0	0	0	111.5	S119 Y123 A124 I125 I153 F159 V160	S119-L121 PolarHBondContact O-N 3.35Å; S119-L121 PolarHBondContact OG-N 3.09Å; L121-Y123 VanDerWaalsContact C-N 3.28Å; L121-Y123 PolarHBondContact O-N 3.44Å; L121-A124 WeakPolarHBondContact O-CB 3.27Å; L121-A124 PolarHBondContact O-N 2.96Å; L121-I125 HydrophobicContact CG-CD1 4.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.34Å; L121-I125 PolarHBondContact O-N 3.17Å; L121-I153 HydrophobicContact CD1-CD1 4.26Å; L121-F159 HydrophobicContact CD1-CD1 4.46Å; L121-F159 HydrophobicContact CD2-CE1 4.32Å; L121-V160 HydrophobicContact CD1-CG2 3.64Å
122	D	91.4	Very high	84.4	Confident	48 Å²	48	45.7 Å²	45.7	26%	0.257	23%	0.225	S	C	.	.	H	α-helix	trans	-63.8	-37.7	179.6	-63.4	-46.5	0	0	0	111.1	T2 S119 I125 Y126 W190	T2-D122 WeakPolarHBondContact CG2-OD1 3.34Å; S119-D122 WeakPolarHBondContact CB-OD2 3.31Å; S119-D122 PolarHBondContact O-N 3.32Å; S119-D122 WeakPolarHBondContact OG-CB 3.18Å; S119-D122 PolarHBondContact OG-N 2.88Å; S119-D122 PolarHBondContact OG-OD2 3.08Å; D122-I125 PolarHBondContact O-N 2.7Å; D122-Y126 PolarHBondContact O-N 2.86Å; D122-W190 VanDerWaalsContact C-CZ2 3.43Å; D122-W190 HydrophobicContact CB-CH2 3.83Å; D122-W190 HydrophobicContact CB-CZ2 3.82Å; D122-W190 WeakPolarHBondContact O-CZ2 3.31Å
123	Y	93.9	Very high	84.8	Confident	9 Å²	9	49.4 Å²	49.4	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-39.7	177	-168.7	-139.3	0	0	0	111.7	S119 E120 L121 I125 Y126 L127 R145 L149 W190 R194	S119-Y123 PolarHBondContact O-N 2.86Å; S119-Y123 VanDerWaalsContact O-N 3.17Å; E120-Y123 PolarHBondContact O-N 3.35Å; L121-Y123 VanDerWaalsContact C-N 3.28Å; L121-Y123 PolarHBondContact O-N 3.44Å; Y123-I125 PolarHBondContact O-N 3.39Å; Y123-Y126 HydrophobicContact CD2-CD1 4.01Å; Y123-Y126 AromaticContact CE2-CD1 3.95Å; Y123-Y126 HydrophobicContact CE2-CD1 3.95Å; Y123-Y126 HydrophobicContact CE2-CE1 4.33Å; Y123-Y126 PolarHBondContact O-N 2.7Å; Y123-L127 HydrophobicContact CD1-CD1 4.19Å; Y123-L127 HydrophobicContact CD2-CG 4.27Å; Y123-L127 HydrophobicContact CE1-CD1 3.8Å; Y123-L127 HydrophobicContact CE1-CG 4.47Å; Y123-L127 HydrophobicContact CE2-CD1 4.2Å; Y123-L127 HydrophobicContact CE2-CD2 4Å; Y123-L127 HydrophobicContact CE2-CG 3.99Å; Y123-L127 WeakPolarHBondContact O-CG 3.48Å; Y123-L127 PolarHBondContact O-N 2.94Å; Y123-R145 HydrophobicContact CE1-CB 4.1Å; Y123-R145 HydrophobicContact CE1-CG 4.46Å; Y123-L149 HydrophobicContact CD1-CD1 3.71Å; Y123-L149 HydrophobicContact CE1-CD1 4.31Å; Y123-L149 HydrophobicContact CG-CD1 4.4Å; Y123-W190 VanDerWaalsContact CB-CZ3 3.46Å; Y123-W190 AromaticContact CD2-CD2 3.56Å; Y123-W190 HydrophobicContact CD2-CD2 3.56Å; Y123-W190 AromaticContact CD2-CE3 3.28Å; Y123-W190 HydrophobicContact CD2-CE3 3.28Å; Y123-W190 HydrophobicContact CD2-CG 4.17Å; Y123-W190 HydrophobicContact CD2-CH2 4.17Å; Y123-W190 HydrophobicContact CD2-CZ2 4.38Å; Y123-W190 AromaticContact CD2-CZ3 3.61Å; Y123-W190 HydrophobicContact CD2-CZ3 3.61Å; Y123-W190 HydrophobicContact CE2-CB 4.42Å; Y123-W190 HydrophobicContact CE2-CD2 4.16Å; Y123-W190 AromaticContact CE2-CE3 3.96Å; Y123-W190 HydrophobicContact CE2-CE3 3.96Å; Y123-W190 HydrophobicContact CE2-CG 4.36Å; Y123-W190 AromaticContact CG-CE3 3.93Å; Y123-W190 HydrophobicContact CG-CE3 3.93Å; Y123-W190 HydrophobicContact CG-CH2 4.24Å; Y123-W190 AromaticContact CG-CZ3 3.77Å; Y123-W190 HydrophobicContact CG-CZ3 3.77Å; Y123-R194 HydrophobicContact CD1-CG 3.92Å; Y123-R194 HydrophobicContact CD2-CG 4.1Å; Y123-R194 HydrophobicContact CE1-CB 4.14Å; Y123-R194 HydrophobicContact CE1-CG 3.92Å; Y123-R194 HydrophobicContact CE2-CB 4.02Å; Y123-R194 HydrophobicContact CE2-CG 4.09Å; Y123-R194 HydrophobicContact CG-CG 4.03Å
124	A	95	Very high	85.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-41.2	174.8	0	0	0	0	0	112.1	E120 L121 Y126 L127 A128 L149 I153 W157 V160	E120-A124 WeakPolarHBondContact O-CB 3.32Å; E120-A124 PolarHBondContact O-N 3.2Å; L121-A124 WeakPolarHBondContact O-CB 3.27Å; L121-A124 PolarHBondContact O-N 2.96Å; A124-Y126 VanDerWaalsContact C-N 3.35Å; A124-Y126 PolarHBondContact O-N 3.43Å; A124-L127 PolarHBondContact O-N 3.43Å; A124-A128 VanDerWaalsContact O-CB 3.24Å; A124-A128 WeakPolarHBondContact O-CB 3.41Å; A124-A128 PolarHBondContact O-N 3.34Å; A124-L149 HydrophobicContact CB-CB 4.31Å; A124-L149 HydrophobicContact CB-CD1 4.11Å; A124-I153 HydrophobicContact CB-CD1 3.73Å; A124-W157 HydrophobicContact CB-CZ3 4Å; A124-V160 HydrophobicContact CB-CG1 4.03Å; A124-V160 HydrophobicContact CB-CG2 4.27Å
125	I	94.9	Very high	86	Confident	10 Å²	10	61.5 Å²	61.5	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-44.4	175.3	-66.8	165.6	0	0	0	110.6	L121 D122 Y123 A128 K129 V160 Q163 A164	L121-I125 HydrophobicContact CG-CD1 4.3Å; L121-I125 WeakPolarHBondContact O-CG1 3.34Å; L121-I125 PolarHBondContact O-N 3.17Å; D122-I125 PolarHBondContact O-N 2.7Å; Y123-I125 PolarHBondContact O-N 3.39Å; I125-A128 PolarHBondContact O-N 3.23Å; I125-K129 WeakPolarHBondContact O-CB 3.35Å; I125-K129 PolarHBondContact O-N 3.07Å; I125-V160 HydrophobicContact CG1-CB 4.33Å; I125-V160 HydrophobicContact CG1-CG1 4.01Å; I125-V160 HydrophobicContact CG1-CG2 4.33Å; I125-Q163 HydrophobicContact CD1-CB 3.98Å; I125-Q163 HydrophobicContact CD1-CG 4.27Å; I125-Q163 HydrophobicContact CG1-CB 4.19Å; I125-Q163 HydrophobicContact CG2-CB 4.19Å; I125-A164 HydrophobicContact CG2-CB 4.45Å
126	Y	94.4	Very high	86.8	Confident	17 Å²	17	54.9 Å²	54.9	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-49.6	176.9	167.9	-106.4	0	0	0	112.5	D122 Y123 A124 A128 K129 K130 E186 W190	D122-Y126 PolarHBondContact O-N 2.86Å; Y123-Y126 HydrophobicContact CD2-CD1 4.01Å; Y123-Y126 AromaticContact CE2-CD1 3.95Å; Y123-Y126 HydrophobicContact CE2-CD1 3.95Å; Y123-Y126 HydrophobicContact CE2-CE1 4.33Å; Y123-Y126 PolarHBondContact O-N 2.7Å; A124-Y126 VanDerWaalsContact C-N 3.35Å; A124-Y126 PolarHBondContact O-N 3.43Å; Y126-A128 PolarHBondContact O-N 3.24Å; Y126-K129 WeakPolarHBondContact O-CB 3.15Å; Y126-K129 PolarHBondContact O-N 3.4Å; Y126-K130 PolarHBondContact O-N 2.94Å; Y126-E186 HydrophobicContact CD2-CG 3.75Å; Y126-E186 HydrophobicContact CE2-CG 4.03Å; Y126-W190 VanDerWaalsContact CB-NE1 3.33Å; Y126-W190 HydrophobicContact CD1-CB 4.28Å; Y126-W190 AromaticContact CD1-CD1 3.4Å; Y126-W190 VanDerWaalsContact CD1-CD1 3.4Å; Y126-W190 HydrophobicContact CD1-CD2 4.3Å; Y126-W190 AromaticContact CD1-CG 3.73Å; Y126-W190 HydrophobicContact CD1-CG 3.73Å; Y126-W190 AromaticContact CD1-NE1 3.8Å; Y126-W190 AromaticContact CD2-CD1 3.41Å; Y126-W190 VanDerWaalsContact CD2-CD1 3.41Å; Y126-W190 HydrophobicContact CD2-CG 4.46Å; Y126-W190 AromaticContact CD2-NE1 3.64Å; Y126-W190 HydrophobicContact CE1-CB 3.98Å; Y126-W190 AromaticContact CE1-CD1 3.69Å; Y126-W190 AromaticContact CE1-CG 3.91Å; Y126-W190 HydrophobicContact CE1-CG 3.91Å; Y126-W190 AromaticContact CE2-CD1 3.7Å; Y126-W190 AromaticContact CG-CD1 3.24Å; Y126-W190 HydrophobicContact CG-CD2 4.49Å; Y126-W190 HydrophobicContact CG-CG 4.02Å; Y126-W190 AromaticContact CG-NE1 3.29Å; Y126-W190 VanDerWaalsContact CG-NE1 3.29Å; Y126-W190 AromaticContact CZ-CD1 3.83Å
127	L	94.5	Very high	87.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-39.8	178.8	-66.3	-179.8	0	0	0	111.9	Y123 A124 K130 N131 L138 E142 R145 Y146 L149	Y123-L127 HydrophobicContact CD1-CD1 4.19Å; Y123-L127 HydrophobicContact CD2-CG 4.27Å; Y123-L127 HydrophobicContact CE1-CD1 3.8Å; Y123-L127 HydrophobicContact CE1-CG 4.47Å; Y123-L127 HydrophobicContact CE2-CD1 4.2Å; Y123-L127 HydrophobicContact CE2-CD2 4Å; Y123-L127 HydrophobicContact CE2-CG 3.99Å; Y123-L127 WeakPolarHBondContact O-CG 3.48Å; Y123-L127 PolarHBondContact O-N 2.94Å; A124-L127 PolarHBondContact O-N 3.43Å; L127-K130 PolarHBondContact O-N 2.8Å; L127-N131 WeakPolarHBondContact O-CB 3.36Å; L127-N131 PolarHBondContact O-N 2.88Å; L127-L138 HydrophobicContact CD2-CD2 3.96Å; L127-E142 HydrophobicContact CD2-CB 4Å; L127-E142 HydrophobicContact CD2-CG 4.17Å; L127-R145 HydrophobicContact CD1-CB 4.31Å; L127-Y146 HydrophobicContact CB-CD2 3.54Å; L127-Y146 HydrophobicContact CB-CE2 4.18Å; L127-Y146 HydrophobicContact CB-CG 4.39Å; L127-Y146 HydrophobicContact CD1-CD2 4.32Å; L127-L149 HydrophobicContact CD1-CD1 4.05Å
128	A	94.3	Very high	88.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-44.4	175.3	0	0	0	0	0	111.4	A124 I125 Y126 K130 N131 I132 Y146 V160 A164	A124-A128 VanDerWaalsContact O-CB 3.24Å; A124-A128 WeakPolarHBondContact O-CB 3.41Å; A124-A128 PolarHBondContact O-N 3.34Å; I125-A128 PolarHBondContact O-N 3.23Å; Y126-A128 PolarHBondContact O-N 3.24Å; A128-K130 PolarHBondContact O-N 3.33Å; A128-N131 PolarHBondContact O-N 3.21Å; A128-I132 WeakPolarHBondContact O-CB 3.38Å; A128-I132 WeakPolarHBondContact O-CD1 3.34Å; A128-I132 WeakPolarHBondContact O-CG1 3.38Å; A128-I132 PolarHBondContact O-N 3.46Å; A128-Y146 HydrophobicContact CB-CE2 3.96Å; A128-V160 HydrophobicContact CB-CG1 3.96Å; A128-A164 HydrophobicContact CB-CB 3.9Å
129	K	93.8	Very high	89.4	Confident	28 Å²	28	49.5 Å²	49.5	12%	0.122	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-46.9	175.4	170.7	167.2	63	-168.2	0	111.7	I125 Y126 I132 R133 A164 Q167 L168 E186	I125-K129 WeakPolarHBondContact O-CB 3.35Å; I125-K129 PolarHBondContact O-N 3.07Å; Y126-K129 WeakPolarHBondContact O-CB 3.15Å; Y126-K129 PolarHBondContact O-N 3.4Å; K129-I132 PolarHBondContact O-N 2.7Å; K129-R133 WeakPolarHBondContact O-CB 3.43Å; K129-R133 PolarHBondContact O-N 3.03Å; K129-A164 HydrophobicContact CB-CB 4.14Å; K129-Q167 HydrophobicContact CD-CB 4.31Å; K129-L168 HydrophobicContact CD-CD2 4.11Å; K129-L168 HydrophobicContact CD-CG 4.23Å; K129-L168 HydrophobicContact CG-CD1 4.23Å; K129-L168 HydrophobicContact CG-CD2 3.65Å; K129-L168 HydrophobicContact CG-CG 3.75Å; K129-E186 WeakPolarHBondContact CE-OE2 3.42Å; K129-E186 IonicContact NZ-OE1 3.58Å; K129-E186 PolarHBondContact NZ-OE1 3.21Å; K129-E186 IonicContact NZ-OE2 2.87Å; K129-E186 PolarHBondContact NZ-OE2 2.76Å
130	K	91.8	Very high	89.6	Confident	12 Å²	12	52.9 Å²	52.9	5%	0.052	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-43.3	177.9	-173.2	169.5	170.4	-172	0	111.7	Y126 L127 A128 R133 K134 E137 L138 E142	Y126-K130 PolarHBondContact O-N 2.94Å; L127-K130 PolarHBondContact O-N 2.8Å; A128-K130 PolarHBondContact O-N 3.33Å; K130-R133 PolarHBondContact O-N 3.05Å; K130-K134 PolarHBondContact O-N 3.31Å; K130-E137 VanDerWaalsContact CE-O 3.24Å; K130-E137 WeakPolarHBondContact CE-O 3.39Å; K130-E137 HydrophobicContact CG-CB 4.41Å; K130-E137 HydrophobicContact CG-CG 4.18Å; K130-L138 HydrophobicContact CB-CD2 4.06Å; K130-L138 HydrophobicContact CD-CD2 3.83Å; K130-L138 HydrophobicContact CG-CD2 3.94Å; K130-E142 IonicContact NZ-OE1 3.42Å; K130-E142 PolarHBondContact NZ-OE1 2.67Å; K130-E142 IonicContact NZ-OE2 3.79Å; K130-E142 PolarHBondContact NZ-OE2 2.9Å
131	N	91.4	Very high	89.7	Confident	50 Å²	50	51 Å²	51	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-40.3	177.8	-163.6	37.2	0	0	0	113.3	L127 A128 K134 L138	L127-N131 WeakPolarHBondContact O-CB 3.36Å; L127-N131 PolarHBondContact O-N 2.88Å; A128-N131 PolarHBondContact O-N 3.21Å; N131-K134 CarbonylContact O-C 3.5Å; N131-L138 HydrophobicContact CB-CD1 3.91Å; N131-L138 HydrophobicContact CB-CG 4.35Å
132	I	90.3	Very high	89.7	Confident	72 Å²	72	49.1 Å²	49.1	37%	0.369	24%	0.244	S	C	.	.	H	α-helix	trans	-69.7	-36.5	177.9	-66.1	163.4	0	0	0	111.2	A128 K129 A164 R165 L168	A128-I132 WeakPolarHBondContact O-CB 3.38Å; A128-I132 WeakPolarHBondContact O-CD1 3.34Å; A128-I132 WeakPolarHBondContact O-CG1 3.38Å; A128-I132 PolarHBondContact O-N 3.46Å; K129-I132 PolarHBondContact O-N 2.7Å; I132-A164 HydrophobicContact CD1-CB 4.04Å; I132-R165 HydrophobicContact CD1-CG 4.11Å; I132-L168 HydrophobicContact CB-CD1 3.81Å; I132-L168 HydrophobicContact CG2-CD1 3.56Å
133	R	86.6	Confident	89.8	Confident	103 Å²	103	50.9 Å²	50.9	39%	0.389	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-46.3	-179.2	-178	176	69.9	177.6	2.7	111.7	K129 K130 E137 L168 E183	K129-R133 WeakPolarHBondContact O-CB 3.43Å; K129-R133 PolarHBondContact O-N 3.03Å; K130-R133 PolarHBondContact O-N 3.05Å; R133-E137 IonicContact CZ-OE1 3.05Å; R133-E137 IonicContact CZ-OE2 2.71Å; R133-E137 IonicContact NE-OE1 2.6Å; R133-E137 IonicContact NE-OE2 3.95Å; R133-E137 PolarHBondContact NE-OE2 2.95Å; R133-E137 IonicContact NH2-OE1 2.97Å; R133-E137 PolarHBondContact NH2-OE1 3.29Å; R133-E137 IonicContact NH2-OE2 2.82Å; R133-E137 PolarHBondContact NH2-OE2 3.49Å; R133-L168 HydrophobicContact CB-CD2 4.32Å; R133-E183 IonicContact CZ-OE2 2.68Å; R133-E183 IonicContact NH1-OE1 3.24Å; R133-E183 PolarHBondContact NH1-OE1 3.49Å; R133-E183 IonicContact NH1-OE2 3.84Å; R133-E183 PolarHBondContact NH1-OE2 3.21Å
134	K	84.8	Confident	89.7	Confident	141 Å²	141	56.4 Å²	56.4	61%	0.613	28%	0.276	S	S	*	.	S	Bend	trans	-152.9	114.4	178.2	-173.7	177.5	-179.5	-176.5	0	109.8	K130 N131 G136 E137	K130-K134 PolarHBondContact O-N 3.31Å; N131-K134 CarbonylContact O-C 3.5Å; K134-G136 PolarHBondContact O-N 2.88Å; K134-E137 HydrophobicContact CB-CB 4.13Å; K134-E137 VanDerWaalsContact O-CB 3.27Å; K134-E137 WeakPolarHBondContact O-CB 3.45Å; K134-E137 PolarHBondContact O-N 2.88Å
135	Q	77.3	Confident	89.6	Confident	180 Å²	180	62.7 Å²	62.7	84%	0.841	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	132.3	173.8	-72.7	-173.9	-17.8	0	0	110
136	G	73.9	Confident	89.6	Confident	67 Å²	67	64 Å²	64	69%	0.691	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	5.5	-178.1	0	0	0	0	0	115.7	K134	K134-G136 PolarHBondContact O-N 2.88Å
137	E	83.8	Confident	89.5	Confident	59 Å²	59	66.3 Å²	66.3	28%	0.276	32%	0.322	S	S	.	.			trans	-79.3	-19	177.2	-169.5	174	-163.4	0	0	113.8	K130 R133 K134	K130-E137 VanDerWaalsContact CE-O 3.24Å; K130-E137 WeakPolarHBondContact CE-O 3.39Å; K130-E137 HydrophobicContact CG-CB 4.41Å; K130-E137 HydrophobicContact CG-CG 4.18Å; R133-E137 IonicContact CZ-OE1 3.05Å; R133-E137 IonicContact CZ-OE2 2.71Å; R133-E137 IonicContact NE-OE1 2.6Å; R133-E137 IonicContact NE-OE2 3.95Å; R133-E137 PolarHBondContact NE-OE2 2.95Å; R133-E137 IonicContact NH2-OE1 2.97Å; R133-E137 PolarHBondContact NH2-OE1 3.29Å; R133-E137 IonicContact NH2-OE2 2.82Å; R133-E137 PolarHBondContact NH2-OE2 3.49Å; K134-E137 HydrophobicContact CB-CB 4.13Å; K134-E137 VanDerWaalsContact O-CB 3.27Å; K134-E137 WeakPolarHBondContact O-CB 3.45Å; K134-E137 PolarHBondContact O-N 2.88Å
138	L	89.3	Confident	89.5	Confident	11 Å²	11	69.7 Å²	69.7	6%	0.058	34%	0.34	C	S	.	.	S	Bend	trans	-68.7	131.3	175.3	-66.2	178.3	0	0	0	110.8	L127 K130 N131 E142 K143 Y146	L127-L138 HydrophobicContact CD2-CD2 3.96Å; K130-L138 HydrophobicContact CB-CD2 4.06Å; K130-L138 HydrophobicContact CD-CD2 3.83Å; K130-L138 HydrophobicContact CG-CD2 3.94Å; N131-L138 HydrophobicContact CB-CD1 3.91Å; N131-L138 HydrophobicContact CB-CG 4.35Å; L138-E142 HydrophobicContact CB-CB 4.31Å; L138-E142 HydrophobicContact CD2-CB 4.1Å; L138-K143 HydrophobicContact CB-CG 3.78Å; L138-K143 VanDerWaalsContact O-CE 3.27Å; L138-K143 WeakPolarHBondContact O-CE 3.3Å; L138-Y146 HydrophobicContact CD1-CD1 4.42Å; L138-Y146 HydrophobicContact CD1-CG 4.34Å
139	M	88.2	Confident	89.6	Confident	71 Å²	71	70.1 Å²	70.1	35%	0.35	34%	0.342	S	S	.	.			trans	-69.3	161.8	169.3	-63.2	-64.3	-66.3	0	0	110.6	R92 Y141 E142 K143	R92-M139 VanDerWaalsContact CZ-SD 3.57Å; R92-M139 VanDerWaalsContact NH1-CE 3.31Å; R92-M139 PolarHBondContact NH1-SD 3.38Å; R92-M139 PolarHBondContact NH2-SD 2.92Å; M139-Y141 HydrophobicContact CB-CD1 3.73Å; M139-Y141 HydrophobicContact CB-CE1 3.55Å; M139-Y141 HydrophobicContact CG-CE1 4.04Å; M139-Y141 PolarHBondContact O-N 3.01Å; M139-E142 HydrophobicContact CB-CB 4.45Å; M139-E142 HydrophobicContact CB-CG 4.18Å; M139-E142 WeakPolarHBondContact CB-OE2 3.38Å; M139-E142 PolarHBondContact N-OE2 3.07Å; M139-E142 CarbonylContact O-C 3.16Å; M139-E142 WeakPolarHBondContact O-CA 3.25Å; M139-E142 WeakPolarHBondContact O-CB 3.42Å; M139-E142 PolarHBondContact O-N 3.15Å; M139-K143 WeakPolarHBondContact O-CG 3.22Å; M139-K143 PolarHBondContact O-N 3.4Å
140	E	90.4	Very high	89.6	Confident	112 Å²	112	72.4 Å²	72.4	52%	0.523	35%	0.353	S	S	.	.	H	α-helix	trans	-58.1	-48.1	-175.5	-154.9	56	-142.4	0	0	113	E142 K143 E144	E140-E142 PolarHBondContact O-N 3.48Å; E140-K143 WeakPolarHBondContact O-CB 3.33Å; E140-K143 PolarHBondContact O-N 2.93Å; E140-K143 VanDerWaalsContact O-N 3.08Å; E140-K143 IonicContact OE2-NZ 3.28Å; E140-K143 PolarHBondContact OE2-NZ 3.27Å; E140-E144 PolarHBondContact O-N 3.4Å
141	Y	90.6	Very high	89.7	Confident	37 Å²	37	80 Å²	80	15%	0.145	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-31.5	174.9	80	-86.8	0	0	0	112.9	M139 R145 P196 P197	M139-Y141 HydrophobicContact CB-CD1 3.73Å; M139-Y141 HydrophobicContact CB-CE1 3.55Å; M139-Y141 HydrophobicContact CG-CE1 4.04Å; M139-Y141 PolarHBondContact O-N 3.01Å; Y141-R145 WeakPolarHBondContact O-CB 3.23Å; Y141-R145 WeakPolarHBondContact O-CG 3.4Å; Y141-R145 PolarHBondContact O-N 3.44Å; Y141-R145 VanDerWaalsContact O-N 3.07Å; Y141-P196 HydrophobicContact CE1-CB 4.22Å; Y141-P196 HydrophobicContact CE1-CG 4.42Å; Y141-P196 HydrophobicContact CE2-CB 4.33Å; Y141-P196 HydrophobicContact CE2-CG 4.44Å; Y141-P197 HydrophobicContact CG-CG 4.41Å
142	E	93.2	Very high	89.9	Confident	5 Å²	5	84.2 Å²	84.2	2%	0.023	40%	0.398	C	S	.	.	H	α-helix	trans	-73.3	-35.2	176.2	-66.6	176.1	131.1	0	0	111.2	L127 K130 L138 M139 E140 R145 Y146	L127-E142 HydrophobicContact CD2-CB 4Å; L127-E142 HydrophobicContact CD2-CG 4.17Å; K130-E142 IonicContact NZ-OE1 3.42Å; K130-E142 PolarHBondContact NZ-OE1 2.67Å; K130-E142 IonicContact NZ-OE2 3.79Å; K130-E142 PolarHBondContact NZ-OE2 2.9Å; L138-E142 HydrophobicContact CB-CB 4.31Å; L138-E142 HydrophobicContact CD2-CB 4.1Å; M139-E142 HydrophobicContact CB-CB 4.45Å; M139-E142 HydrophobicContact CB-CG 4.18Å; M139-E142 WeakPolarHBondContact CB-OE2 3.38Å; M139-E142 PolarHBondContact N-OE2 3.07Å; M139-E142 CarbonylContact O-C 3.16Å; M139-E142 WeakPolarHBondContact O-CA 3.25Å; M139-E142 WeakPolarHBondContact O-CB 3.42Å; M139-E142 PolarHBondContact O-N 3.15Å; E140-E142 PolarHBondContact O-N 3.48Å; E142-R145 PolarHBondContact O-N 2.8Å; E142-Y146 WeakPolarHBondContact O-CB 3.44Å; E142-Y146 PolarHBondContact O-N 2.84Å
143	K	93.2	Very high	90	Very high	84 Å²	84	81.7 Å²	81.7	37%	0.365	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-47.1	173.7	-65.6	176	-164.9	161.7	0	110.6	L138 M139 E140 R145 Y146 S147	L138-K143 HydrophobicContact CB-CG 3.78Å; L138-K143 VanDerWaalsContact O-CE 3.27Å; L138-K143 WeakPolarHBondContact O-CE 3.3Å; M139-K143 WeakPolarHBondContact O-CG 3.22Å; M139-K143 PolarHBondContact O-N 3.4Å; E140-K143 WeakPolarHBondContact O-CB 3.33Å; E140-K143 PolarHBondContact O-N 2.93Å; E140-K143 VanDerWaalsContact O-N 3.08Å; E140-K143 IonicContact OE2-NZ 3.28Å; E140-K143 PolarHBondContact OE2-NZ 3.27Å; K143-R145 VanDerWaalsContact C-N 3.34Å; K143-R145 PolarHBondContact O-N 3.37Å; K143-Y146 WeakPolarHBondContact O-CB 3.31Å; K143-Y146 PolarHBondContact O-N 3.1Å; K143-S147 PolarHBondContact O-N 3.01Å; K143-S147 PolarHBondContact O-OG 3.03Å
144	E	93.1	Very high	90.4	Very high	126 Å²	126	81 Å²	81	59%	0.589	39%	0.389	S	S	*	.	H	α-helix	trans	-57.4	-47.3	176	-70	175.4	-176.1	0	0	111.4	E140 S147 L148	E140-E144 PolarHBondContact O-N 3.4Å; E144-S147 PolarHBondContact O-N 3.42Å; E144-L148 WeakPolarHBondContact O-CB 3.26Å; E144-L148 PolarHBondContact O-N 3.27Å
145	R	92.1	Very high	90.8	Very high	131 Å²	131	81.7 Å²	81.7	49%	0.494	40%	0.395	S	S	.	.	H	α-helix	trans	-63.1	-42.2	176.1	-69.2	-70	-175.8	-178.7	0.8	112.1	Y123 L127 Y141 E142 K143 L148 L149	Y123-R145 HydrophobicContact CE1-CB 4.1Å; Y123-R145 HydrophobicContact CE1-CG 4.46Å; L127-R145 HydrophobicContact CD1-CB 4.31Å; Y141-R145 WeakPolarHBondContact O-CB 3.23Å; Y141-R145 WeakPolarHBondContact O-CG 3.4Å; Y141-R145 PolarHBondContact O-N 3.44Å; Y141-R145 VanDerWaalsContact O-N 3.07Å; E142-R145 PolarHBondContact O-N 2.8Å; K143-R145 VanDerWaalsContact C-N 3.34Å; K143-R145 PolarHBondContact O-N 3.37Å; R145-L148 PolarHBondContact O-N 3.38Å; R145-L149 WeakPolarHBondContact O-CB 3.37Å; R145-L149 VanDerWaalsContact O-CG 3.27Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.13Å
146	Y	94	Very high	91.7	Very high	39 Å²	39	75.4 Å²	75.4	15%	0.153	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-45.4	177.3	-174.8	-111.7	0	0	0	111.7	L127 A128 L138 E142 K143 L149 H150 W157	L127-Y146 HydrophobicContact CB-CD2 3.54Å; L127-Y146 HydrophobicContact CB-CE2 4.18Å; L127-Y146 HydrophobicContact CB-CG 4.39Å; L127-Y146 HydrophobicContact CD1-CD2 4.32Å; A128-Y146 HydrophobicContact CB-CE2 3.96Å; L138-Y146 HydrophobicContact CD1-CD1 4.42Å; L138-Y146 HydrophobicContact CD1-CG 4.34Å; E142-Y146 WeakPolarHBondContact O-CB 3.44Å; E142-Y146 PolarHBondContact O-N 2.84Å; K143-Y146 WeakPolarHBondContact O-CB 3.31Å; K143-Y146 PolarHBondContact O-N 3.1Å; Y146-L149 PolarHBondContact O-N 3.31Å; Y146-H150 WeakPolarHBondContact O-CB 3.27Å; Y146-H150 PolarHBondContact O-N 3.36Å; Y146-W157 AromaticContact CD2-CH2 3.87Å; Y146-W157 HydrophobicContact CD2-CH2 3.87Å; Y146-W157 HydrophobicContact CD2-CZ2 4.3Å; Y146-W157 HydrophobicContact CE1-CH2 4.49Å; Y146-W157 HydrophobicContact CE1-CZ2 4.07Å; Y146-W157 AromaticContact CE2-CH2 3.44Å; Y146-W157 HydrophobicContact CE2-CH2 3.44Å; Y146-W157 VanDerWaalsContact CE2-CH2 3.44Å; Y146-W157 AromaticContact CE2-CZ2 3.5Å; Y146-W157 HydrophobicContact CE2-CZ2 3.5Å; Y146-W157 VanDerWaalsContact CE2-CZ2 3.5Å; Y146-W157 AromaticContact CZ-CH2 3.82Å; Y146-W157 AromaticContact CZ-CZ2 3.38Å; Y146-W157 WeakPolarHBondContact OH-CZ2 3.42Å
147	S	93.9	Very high	92.6	Very high	64 Å²	64	73.5 Å²	73.5	45%	0.448	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-39.5	175.5	-65.3	0	0	0	0	112.4	K143 E144 K151	K143-S147 PolarHBondContact O-N 3.01Å; K143-S147 PolarHBondContact O-OG 3.03Å; E144-S147 PolarHBondContact O-N 3.42Å; S147-K151 WeakPolarHBondContact O-CG 3.21Å; S147-K151 PolarHBondContact O-N 3.24Å
148	L	94.4	Very high	93.2	Very high	72 Å²	72	77.6 Å²	77.6	38%	0.377	36%	0.364	S	S	.	.	H	α-helix	trans	-64.4	-45.5	175.7	-178	66.4	0	0	0	111.7	E144 R145 K151 R152	E144-L148 WeakPolarHBondContact O-CB 3.26Å; E144-L148 PolarHBondContact O-N 3.27Å; R145-L148 PolarHBondContact O-N 3.38Å; L148-K151 PolarHBondContact O-N 3.36Å; L148-R152 WeakPolarHBondContact O-CB 3.38Å; L148-R152 PolarHBondContact O-N 2.91Å
149	L	94.6	Very high	93.5	Very high	9 Å²	9	79.7 Å²	79.7	5%	0.047	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-43.9	177.1	-71.1	165.9	0	0	0	111.1	E120 Y123 A124 L127 R145 Y146 K151 R152 I153 W157	E120-L149 HydrophobicContact CB-CD2 3.83Å; E120-L149 HydrophobicContact CG-CD2 4.37Å; Y123-L149 HydrophobicContact CD1-CD1 3.71Å; Y123-L149 HydrophobicContact CE1-CD1 4.31Å; Y123-L149 HydrophobicContact CG-CD1 4.4Å; A124-L149 HydrophobicContact CB-CB 4.31Å; A124-L149 HydrophobicContact CB-CD1 4.11Å; L127-L149 HydrophobicContact CD1-CD1 4.05Å; R145-L149 WeakPolarHBondContact O-CB 3.37Å; R145-L149 VanDerWaalsContact O-CG 3.27Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.13Å; Y146-L149 PolarHBondContact O-N 3.31Å; L149-K151 PolarHBondContact O-N 2.86Å; L149-R152 PolarHBondContact O-N 2.72Å; L149-R152 VanDerWaalsContact O-N 3.1Å; L149-I153 WeakPolarHBondContact O-CG1 3.5Å; L149-I153 PolarHBondContact O-N 3.34Å; L149-W157 HydrophobicContact CB-CZ3 4.43Å
150	H	94.1	Very high	93.8	Very high	76 Å²	76	76.3 Å²	76.3	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-56	-38.1	175.9	-180	-111.7	0	0	0	112.5	Y146 N154 W157	Y146-H150 WeakPolarHBondContact O-CB 3.27Å; Y146-H150 PolarHBondContact O-N 3.36Å; H150-N154 PolarHBondContact NE2-ND2 3.06Å; H150-N154 VanDerWaalsContact O-CA 3.29Å; H150-N154 WeakPolarHBondContact O-CA 3.39Å; H150-N154 WeakPolarHBondContact O-CB 3.21Å; H150-N154 PolarHBondContact O-N 3.11Å; H150-N154 PolarHBondContact O-ND2 3.16Å; H150-W157 HydrophobicContact CB-CE3 4.44Å; H150-W157 HydrophobicContact CB-CH2 3.72Å; H150-W157 HydrophobicContact CB-CZ2 3.91Å; H150-W157 HydrophobicContact CB-CZ3 4.02Å; H150-W157 AromaticContact CD2-CD1 3.69Å; H150-W157 AromaticContact CD2-CD2 3.51Å; H150-W157 AromaticContact CD2-CE2 3.32Å; H150-W157 AromaticContact CD2-CG 3.7Å; H150-W157 AromaticContact CD2-CZ2 3.67Å; H150-W157 AromaticContact CD2-NE1 3.47Å; H150-W157 PolarHBondContact CD2-NE1 3.15Å; H150-W157 AromaticContact NE2-CD1 3.95Å; H150-W157 AromaticContact NE2-NE1 3.96Å
151	K	95.1	Very high	94	Very high	170 Å²	170	72.7 Å²	72.7	74%	0.739	34%	0.342	S	S	*	.	H	α-helix	trans	-71.8	-44.5	174.5	-70.1	177.4	-178.9	-178.5	0	112.2	S147 L148 L149	S147-K151 WeakPolarHBondContact O-CG 3.21Å; S147-K151 PolarHBondContact O-N 3.24Å; L148-K151 PolarHBondContact O-N 3.36Å; L149-K151 PolarHBondContact O-N 2.86Å
152	R	94.8	Very high	94.3	Very high	139 Å²	139	75.6 Å²	75.6	53%	0.525	36%	0.358	S	S	.	.	H	α-helix	trans	-72.2	-44.7	-173	-174.9	177.5	-68	-169.5	-6.1	113.5	E120 L148 L149	E120-R152 IonicContact OE1-CZ 2.81Å; E120-R152 IonicContact OE1-NH1 3.88Å; E120-R152 PolarHBondContact OE1-NH1 3.38Å; E120-R152 WeakPolarHBondContact OE2-CD 3.3Å; E120-R152 IonicContact OE2-NH1 2.85Å; L148-R152 WeakPolarHBondContact O-CB 3.38Å; L148-R152 PolarHBondContact O-N 2.91Å; L149-R152 PolarHBondContact O-N 2.72Å; L149-R152 VanDerWaalsContact O-N 3.1Å
153	I	93.3	Very high	94.4	Very high	20 Å²	20	77.3 Å²	77.3	10%	0.103	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	33.5	-176.6	57.8	164.6	0	0	0	111.9	L121 A124 L149 H155 T156 V160	L121-I153 HydrophobicContact CD1-CD1 4.26Å; A124-I153 HydrophobicContact CB-CD1 3.73Å; L149-I153 WeakPolarHBondContact O-CG1 3.5Å; L149-I153 PolarHBondContact O-N 3.34Å; I153-H155 PolarHBondContact O-N 3.45Å; I153-T156 PolarHBondContact O-N 3.13Å; I153-T156 VanDerWaalsContact O-N 3.08Å; I153-T156 PolarHBondContact O-OG1 3.32Å; I153-T156 VanDerWaalsContact O-OG1 3.1Å; I153-V160 HydrophobicContact CD1-CG2 4.45Å
154	N	94.1	Very high	94.5	Very high	87 Å²	87	73.3 Å²	73.3	47%	0.465	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-54.8	-39.9	-177.3	-167.6	-105.6	0	0	0	113.2	H150 T156 W157	H150-N154 PolarHBondContact NE2-ND2 3.06Å; H150-N154 VanDerWaalsContact O-CA 3.29Å; H150-N154 WeakPolarHBondContact O-CA 3.39Å; H150-N154 WeakPolarHBondContact O-CB 3.21Å; H150-N154 PolarHBondContact O-N 3.11Å; H150-N154 PolarHBondContact O-ND2 3.16Å; N154-T156 PolarHBondContact O-N 3.02Å; N154-W157 WeakPolarHBondContact O-CB 3.29Å; N154-W157 PolarHBondContact O-N 3Å
155	H	94	Very high	94.5	Very high	157 Å²	157	73.8 Å²	73.8	73%	0.727	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-59.3	-18.1	-180	67.5	-80.7	0	0	0	114.5	I153	I153-H155 PolarHBondContact O-N 3.45Å
156	T	94.6	Very high	94.6	Very high	47 Å²	47	71.8 Å²	71.8	29%	0.288	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-113.7	11.9	176.3	44.5	0	0	0	0	112.6	I153 N154 D158 F159 V160	I153-T156 PolarHBondContact O-N 3.13Å; I153-T156 VanDerWaalsContact O-N 3.08Å; I153-T156 PolarHBondContact O-OG1 3.32Å; I153-T156 VanDerWaalsContact O-OG1 3.1Å; N154-T156 PolarHBondContact O-N 3.02Å; T156-D158 PolarHBondContact O-N 3.44Å; T156-F159 WeakPolarHBondContact O-CB 3.45Å; T156-F159 PolarHBondContact O-N 3.41Å; T156-F159 VanDerWaalsContact O-N 3.15Å; T156-V160 PolarHBondContact O-N 2.95Å; T156-V160 VanDerWaalsContact O-N 3.13Å
157	W	94.5	Very high	94.5	Very high	28 Å²	28	73 Å²	73	11%	0.106	35%	0.348	C	S	.	.	H	α-helix	trans	-69.1	-34	-170.4	-163.4	-107.7	0	0	0	114.3	A124 Y146 L149 H150 N154 F159 V160 V161	A124-W157 HydrophobicContact CB-CZ3 4Å; Y146-W157 AromaticContact CD2-CH2 3.87Å; Y146-W157 HydrophobicContact CD2-CH2 3.87Å; Y146-W157 HydrophobicContact CD2-CZ2 4.3Å; Y146-W157 HydrophobicContact CE1-CH2 4.49Å; Y146-W157 HydrophobicContact CE1-CZ2 4.07Å; Y146-W157 AromaticContact CE2-CH2 3.44Å; Y146-W157 HydrophobicContact CE2-CH2 3.44Å; Y146-W157 VanDerWaalsContact CE2-CH2 3.44Å; Y146-W157 AromaticContact CE2-CZ2 3.5Å; Y146-W157 HydrophobicContact CE2-CZ2 3.5Å; Y146-W157 VanDerWaalsContact CE2-CZ2 3.5Å; Y146-W157 AromaticContact CZ-CH2 3.82Å; Y146-W157 AromaticContact CZ-CZ2 3.38Å; Y146-W157 WeakPolarHBondContact OH-CZ2 3.42Å; L149-W157 HydrophobicContact CB-CZ3 4.43Å; H150-W157 HydrophobicContact CB-CE3 4.44Å; H150-W157 HydrophobicContact CB-CH2 3.72Å; H150-W157 HydrophobicContact CB-CZ2 3.91Å; H150-W157 HydrophobicContact CB-CZ3 4.02Å; H150-W157 AromaticContact CD2-CD1 3.69Å; H150-W157 AromaticContact CD2-CD2 3.51Å; H150-W157 AromaticContact CD2-CE2 3.32Å; H150-W157 AromaticContact CD2-CG 3.7Å; H150-W157 AromaticContact CD2-CZ2 3.67Å; H150-W157 AromaticContact CD2-NE1 3.47Å; H150-W157 PolarHBondContact CD2-NE1 3.15Å; H150-W157 AromaticContact NE2-CD1 3.95Å; H150-W157 AromaticContact NE2-NE1 3.96Å; N154-W157 WeakPolarHBondContact O-CB 3.29Å; N154-W157 PolarHBondContact O-N 3Å; W157-F159 PolarHBondContact O-N 3.05Å; W157-V160 HydrophobicContact CD2-CB 4.37Å; W157-V160 HydrophobicContact CD2-CG1 4.49Å; W157-V160 HydrophobicContact CE3-CB 4.22Å; W157-V160 HydrophobicContact CE3-CG1 4.25Å; W157-V160 HydrophobicContact CE3-CG2 4.19Å; W157-V160 HydrophobicContact CZ3-CG1 4.33Å; W157-V160 WeakPolarHBondContact O-CA 3.34Å; W157-V160 WeakPolarHBondContact O-CB 3.42Å; W157-V160 PolarHBondContact O-N 3.27Å; W157-V161 PolarHBondContact O-N 3.23Å
158	D	94.8	Very high	94.4	Very high	144 Å²	144	71.1 Å²	71.1	77%	0.77	33%	0.333	S	S	*	.	H	α-helix	trans	-58.8	-39.4	173.7	-70	-30.3	0	0	0	111.1	T156 V161 M162	T156-D158 PolarHBondContact O-N 3.44Å; D158-V161 PolarHBondContact O-N 2.79Å; D158-M162 VanDerWaalsContact O-CB 3.24Å; D158-M162 WeakPolarHBondContact O-CB 3.25Å; D158-M162 PolarHBondContact O-N 3.38Å
159	F	95.6	Very high	94.3	Very high	56 Å²	56	74.9 Å²	74.9	25%	0.246	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-42.6	173.8	178.5	-95.5	0	0	0	111.7	I3 L121 T156 W157 V161 M162 Q163	I3-F159 HydrophobicContact CD1-CE1 4.24Å; I3-F159 HydrophobicContact CD1-CE2 3.95Å; I3-F159 HydrophobicContact CD1-CZ 3.44Å; I3-F159 VanDerWaalsContact CD1-CZ 3.44Å; I3-F159 HydrophobicContact CG1-CZ 4.44Å; L121-F159 HydrophobicContact CD1-CD1 4.46Å; L121-F159 HydrophobicContact CD2-CE1 4.32Å; T156-F159 WeakPolarHBondContact O-CB 3.45Å; T156-F159 PolarHBondContact O-N 3.41Å; T156-F159 VanDerWaalsContact O-N 3.15Å; W157-F159 PolarHBondContact O-N 3.05Å; F159-V161 PolarHBondContact O-N 2.9Å; F159-M162 HydrophobicContact CD2-CE 3.53Å; F159-M162 HydrophobicContact CE2-CE 3.99Å; F159-M162 HydrophobicContact CG-CE 4.48Å; F159-M162 PolarHBondContact O-N 3.35Å; F159-Q163 HydrophobicContact CD1-CG 4.06Å; F159-Q163 HydrophobicContact CD2-CG 4.3Å; F159-Q163 HydrophobicContact CE1-CG 3.56Å; F159-Q163 HydrophobicContact CE2-CG 3.83Å; F159-Q163 HydrophobicContact CG-CG 4.4Å; F159-Q163 HydrophobicContact CZ-CG 3.42Å; F159-Q163 VanDerWaalsContact CZ-CG 3.42Å; F159-Q163 WeakPolarHBondContact O-CB 3.33Å; F159-Q163 WeakPolarHBondContact O-CG 3.28Å; F159-Q163 PolarHBondContact O-N 3.48Å
160	V	95.4	Very high	94.1	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-56.9	-49.2	175.6	172.6	0	0	0	0	111.1	L121 A124 I125 A128 I153 T156 W157 Q163 A164	L121-V160 HydrophobicContact CD1-CG2 3.64Å; A124-V160 HydrophobicContact CB-CG1 4.03Å; A124-V160 HydrophobicContact CB-CG2 4.27Å; I125-V160 HydrophobicContact CG1-CB 4.33Å; I125-V160 HydrophobicContact CG1-CG1 4.01Å; I125-V160 HydrophobicContact CG1-CG2 4.33Å; A128-V160 HydrophobicContact CB-CG1 3.96Å; I153-V160 HydrophobicContact CD1-CG2 4.45Å; T156-V160 PolarHBondContact O-N 2.95Å; T156-V160 VanDerWaalsContact O-N 3.13Å; W157-V160 HydrophobicContact CD2-CB 4.37Å; W157-V160 HydrophobicContact CD2-CG1 4.49Å; W157-V160 HydrophobicContact CE3-CB 4.22Å; W157-V160 HydrophobicContact CE3-CG1 4.25Å; W157-V160 HydrophobicContact CE3-CG2 4.19Å; W157-V160 HydrophobicContact CZ3-CG1 4.33Å; W157-V160 WeakPolarHBondContact O-CA 3.34Å; W157-V160 WeakPolarHBondContact O-CB 3.42Å; W157-V160 PolarHBondContact O-N 3.27Å; V160-Q163 PolarHBondContact O-N 3.33Å; V160-A164 WeakPolarHBondContact O-CB 3.4Å; V160-A164 PolarHBondContact O-N 3.42Å
161	V	95.4	Very high	93.9	Very high	35 Å²	35	74.4 Å²	74.4	21%	0.212	35%	0.351	C	S	.	.	H	α-helix	trans	-67	-42.2	-179.8	175.5	0	0	0	0	111.2	W157 D158 F159 A164 R165	W157-V161 PolarHBondContact O-N 3.23Å; D158-V161 PolarHBondContact O-N 2.79Å; F159-V161 PolarHBondContact O-N 2.9Å; V161-A164 PolarHBondContact O-N 3.5Å; V161-R165 HydrophobicContact CG1-CG 4.47Å; V161-R165 WeakPolarHBondContact O-CG 3.5Å; V161-R165 PolarHBondContact O-N 2.95Å
162	M	95.4	Very high	93.7	Very high	98 Å²	98	73.9 Å²	73.9	48%	0.483	35%	0.349	S	S	.	.	H	α-helix	trans	-58.3	-51	175.7	-179.4	179.8	64.4	0	0	110.9	D158 F159 A164 R165 E166	D158-M162 VanDerWaalsContact O-CB 3.24Å; D158-M162 WeakPolarHBondContact O-CB 3.25Å; D158-M162 PolarHBondContact O-N 3.38Å; F159-M162 HydrophobicContact CD2-CE 3.53Å; F159-M162 HydrophobicContact CE2-CE 3.99Å; F159-M162 HydrophobicContact CG-CE 4.48Å; F159-M162 PolarHBondContact O-N 3.35Å; M162-A164 PolarHBondContact O-N 3.25Å; M162-R165 PolarHBondContact O-N 2.84Å; M162-E166 WeakPolarHBondContact O-CG 3.37Å; M162-E166 PolarHBondContact O-N 3.37Å
163	Q	96.1	Very high	93.5	Very high	42 Å²	42	75.6 Å²	75.6	20%	0.196	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-43.3	177.8	-73.3	-60.9	-51.9	0	0	112.2	I125 F159 V160 R165 E166 Q167	I125-Q163 HydrophobicContact CD1-CB 3.98Å; I125-Q163 HydrophobicContact CD1-CG 4.27Å; I125-Q163 HydrophobicContact CG1-CB 4.19Å; I125-Q163 HydrophobicContact CG2-CB 4.19Å; F159-Q163 HydrophobicContact CD1-CG 4.06Å; F159-Q163 HydrophobicContact CD2-CG 4.3Å; F159-Q163 HydrophobicContact CE1-CG 3.56Å; F159-Q163 HydrophobicContact CE2-CG 3.83Å; F159-Q163 HydrophobicContact CG-CG 4.4Å; F159-Q163 HydrophobicContact CZ-CG 3.42Å; F159-Q163 VanDerWaalsContact CZ-CG 3.42Å; F159-Q163 WeakPolarHBondContact O-CB 3.33Å; F159-Q163 WeakPolarHBondContact O-CG 3.28Å; F159-Q163 PolarHBondContact O-N 3.48Å; V160-Q163 PolarHBondContact O-N 3.33Å; Q163-R165 PolarHBondContact O-N 3.32Å; Q163-E166 PolarHBondContact O-N 3.38Å; Q163-Q167 WeakPolarHBondContact O-CG 3.33Å; Q163-Q167 PolarHBondContact O-N 2.66Å
164	A	94.4	Very high	93.4	Very high	0 Å²	0	81 Å²	81	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-61	-42.8	177.9	0	0	0	0	0	112.1	I125 A128 K129 I132 V160 V161 M162 L168	I125-A164 HydrophobicContact CG2-CB 4.45Å; A128-A164 HydrophobicContact CB-CB 3.9Å; K129-A164 HydrophobicContact CB-CB 4.14Å; I132-A164 HydrophobicContact CD1-CB 4.04Å; V160-A164 WeakPolarHBondContact O-CB 3.4Å; V160-A164 PolarHBondContact O-N 3.42Å; V161-A164 PolarHBondContact O-N 3.5Å; M162-A164 PolarHBondContact O-N 3.25Å; A164-L168 WeakPolarHBondContact O-CG 3.48Å; A164-L168 PolarHBondContact O-N 2.85Å; A164-L168 VanDerWaalsContact O-N 3.08Å
165	R	94.3	Very high	93.3	Very high	135 Å²	135	86.4 Å²	86.4	51%	0.509	40%	0.396	S	S	.	.	H	α-helix	trans	-65.5	-43.6	176.9	-73.1	176.2	-178.6	-106.5	2.2	112	I132 V161 M162 Q163 L168 R169	I132-R165 HydrophobicContact CD1-CG 4.11Å; V161-R165 HydrophobicContact CG1-CG 4.47Å; V161-R165 WeakPolarHBondContact O-CG 3.5Å; V161-R165 PolarHBondContact O-N 2.95Å; M162-R165 PolarHBondContact O-N 2.84Å; Q163-R165 PolarHBondContact O-N 3.32Å; R165-L168 PolarHBondContact O-N 3.42Å; R165-R169 WeakPolarHBondContact O-CG 3.37Å; R165-R169 PolarHBondContact O-N 2.85Å
166	E	94.3	Very high	93	Very high	90 Å²	90	83.9 Å²	83.9	42%	0.421	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-43.5	177.5	-75	-56	117.3	0	0	112	M162 Q163 L168 R169 A170	M162-E166 WeakPolarHBondContact O-CG 3.37Å; M162-E166 PolarHBondContact O-N 3.37Å; Q163-E166 PolarHBondContact O-N 3.38Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.37Å; E166-R169 WeakPolarHBondContact O-CB 3.5Å; E166-R169 PolarHBondContact O-N 3.16Å; E166-R169 WeakPolarHBondContact OE1-CD 3.31Å; E166-R169 IonicContact OE1-CZ 2.78Å; E166-R169 IonicContact OE1-NE 2.93Å; E166-R169 IonicContact OE1-NH1 3.23Å; E166-R169 PolarHBondContact OE1-NH1 3.48Å; E166-A170 PolarHBondContact O-N 3.1Å
167	Q	92.2	Very high	92.7	Very high	63 Å²	63	82.5 Å²	82.5	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-63.5	-38.8	175.6	-70.4	-176.8	20.9	0	0	112.6	K129 Q163 A170 S171	K129-Q167 HydrophobicContact CD-CB 4.31Å; Q163-Q167 WeakPolarHBondContact O-CG 3.33Å; Q163-Q167 PolarHBondContact O-N 2.66Å; Q167-A170 PolarHBondContact O-N 2.8Å; Q167-S171 WeakPolarHBondContact O-CB 3.26Å; Q167-S171 PolarHBondContact O-N 3.35Å
168	L	90.8	Very high	92.4	Very high	25 Å²	25	84.3 Å²	84.3	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-65.5	-39.8	174.4	-75.9	171.6	0	0	0	112.2	K129 I132 R133 A164 R165 E166 S171 K172	K129-L168 HydrophobicContact CD-CD2 4.11Å; K129-L168 HydrophobicContact CD-CG 4.23Å; K129-L168 HydrophobicContact CG-CD1 4.23Å; K129-L168 HydrophobicContact CG-CD2 3.65Å; K129-L168 HydrophobicContact CG-CG 3.75Å; I132-L168 HydrophobicContact CB-CD1 3.81Å; I132-L168 HydrophobicContact CG2-CD1 3.56Å; R133-L168 HydrophobicContact CB-CD2 4.32Å; A164-L168 WeakPolarHBondContact O-CG 3.48Å; A164-L168 PolarHBondContact O-N 2.85Å; A164-L168 VanDerWaalsContact O-N 3.08Å; R165-L168 PolarHBondContact O-N 3.42Å; E166-L168 VanDerWaalsContact C-N 3.34Å; E166-L168 PolarHBondContact O-N 3.37Å; L168-S171 PolarHBondContact O-N 3.46Å; L168-K172 WeakPolarHBondContact O-CG 3.36Å; L168-K172 PolarHBondContact O-N 3.46Å; L168-K172 VanDerWaalsContact O-N 3.08Å
169	R	92.8	Very high	92.2	Very high	152 Å²	152	81.3 Å²	81.3	57%	0.574	37%	0.366	S	S	*	.	H	α-helix	trans	-60.7	-49	174.8	-74.8	169.8	175	-177.8	-4.8	111	R165 E166 S171 K172	R165-R169 WeakPolarHBondContact O-CG 3.37Å; R165-R169 PolarHBondContact O-N 2.85Å; E166-R169 WeakPolarHBondContact O-CB 3.5Å; E166-R169 PolarHBondContact O-N 3.16Å; E166-R169 WeakPolarHBondContact OE1-CD 3.31Å; E166-R169 IonicContact OE1-CZ 2.78Å; E166-R169 IonicContact OE1-NE 2.93Å; E166-R169 IonicContact OE1-NH1 3.23Å; E166-R169 PolarHBondContact OE1-NH1 3.48Å; R169-S171 VanDerWaalsContact C-N 3.34Å; R169-S171 PolarHBondContact O-N 3.21Å; R169-K172 PolarHBondContact O-N 3.45Å
170	A	90.9	Very high	91.9	Very high	50 Å²	50	80.4 Å²	80.4	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-38.5	176.9	0	0	0	0	0	112.5	E166 Q167 K172 Q173	E166-A170 PolarHBondContact O-N 3.1Å; Q167-A170 PolarHBondContact O-N 2.8Å; A170-K172 PolarHBondContact O-N 2.87Å; A170-Q173 PolarHBondContact O-N 3.03Å
171	S	89.9	Confident	91.7	Very high	25 Å²	25	81 Å²	81	18%	0.175	37%	0.367	C	S	.	.	H	α-helix	trans	-63.1	-39.7	176.6	-178.7	0	0	0	0	112.1	Q167 L168 R169 Q173 R174 R179	Q167-S171 WeakPolarHBondContact O-CB 3.26Å; Q167-S171 PolarHBondContact O-N 3.35Å; L168-S171 PolarHBondContact O-N 3.46Å; R169-S171 VanDerWaalsContact C-N 3.34Å; R169-S171 PolarHBondContact O-N 3.21Å; S171-Q173 PolarHBondContact O-N 2.99Å; S171-Q173 VanDerWaalsContact O-N 3.17Å; S171-R174 WeakPolarHBondContact O-CB 3.48Å; S171-R174 PolarHBondContact O-N 3.46Å; S171-R179 WeakPolarHBondContact O-CD 3.28Å; S171-R179 VanDerWaalsContact O-CG 3.29Å; S171-R179 WeakPolarHBondContact O-CG 3.36Å
172	K	90.3	Very high	91.5	Very high	158 Å²	158	82.1 Å²	82.1	69%	0.687	37%	0.371	S	S	*	.	H	α-helix	trans	-60.3	-27.4	179.7	-75.8	176.6	-178.1	-175.1	0	113.8	L168 R169 A170 R174	L168-K172 WeakPolarHBondContact O-CG 3.36Å; L168-K172 PolarHBondContact O-N 3.46Å; L168-K172 VanDerWaalsContact O-N 3.08Å; R169-K172 PolarHBondContact O-N 3.45Å; A170-K172 PolarHBondContact O-N 2.87Å; K172-R174 PolarHBondContact O-N 3.33Å
173	Q	91.1	Very high	91.2	Very high	175 Å²	175	80.7 Å²	80.7	82%	0.818	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-12.5	177.7	-63.7	178.2	-11.2	0	0	113.4	A170 S171	A170-Q173 PolarHBondContact O-N 3.03Å; S171-Q173 PolarHBondContact O-N 2.99Å; S171-Q173 VanDerWaalsContact O-N 3.17Å
174	R	90.6	Very high	90.9	Very high	133 Å²	133	79.4 Å²	79.4	50%	0.502	36%	0.359	S	S	.	.	S	Bend	trans	-89	157.9	-178.1	-61.3	-175.1	-179.5	-129.9	4.8	112.6	S171 K172 D178 R179 L182	S171-R174 WeakPolarHBondContact O-CB 3.48Å; S171-R174 PolarHBondContact O-N 3.46Å; K172-R174 PolarHBondContact O-N 3.33Å; R174-D178 HydrophobicContact CB-CB 4.33Å; R174-R179 HydrophobicContact CB-CG 3.87Å; R174-L182 VanDerWaalsContact CD-CD1 3.41Å
175	R	91.4	Very high	90.8	Very high	201 Å²	201	80.7 Å²	80.7	76%	0.758	37%	0.365	S	S	*	.			trans	-61.5	151.3	173	-61.6	178	178.8	-178	0.4	110.4	A177 D178 R179	R175-A177 VanDerWaalsContact C-N 3.3Å; R175-A177 PolarHBondContact O-N 2.72Å; R175-D178 PolarHBondContact O-N 2.94Å; R175-D178 VanDerWaalsContact O-N 3.14Å; R175-R179 WeakPolarHBondContact O-CG 3.49Å; R175-R179 PolarHBondContact O-N 2.95Å
176	K	89.1	Confident	90.8	Very high	104 Å²	104	75.8 Å²	75.8	45%	0.452	35%	0.348	S	S	.	.	H	α-helix	trans	-55.1	-42.3	-176.3	-174.9	175.8	177.8	178.2	0	113.2	R179 I180	K176-R179 PolarHBondContact O-N 2.73Å; K176-I180 HydrophobicContact CG-CD1 4.4Å; K176-I180 WeakPolarHBondContact O-CG1 3.48Å; K176-I180 PolarHBondContact O-N 3.45Å
177	A	87	Confident	90.6	Very high	19 Å²	19	73.3 Å²	73.3	16%	0.157	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-47	178.1	0	0	0	0	0	112	T46 R175 R179 I180 V181	T46-A177 HydrophobicContact CG2-CB 3.88Å; R175-A177 VanDerWaalsContact C-N 3.3Å; R175-A177 PolarHBondContact O-N 2.72Å; A177-R179 VanDerWaalsContact C-N 3.3Å; A177-R179 PolarHBondContact O-N 3.28Å; A177-I180 PolarHBondContact O-N 3.42Å; A177-V181 WeakPolarHBondContact O-CG2 3.3Å; A177-V181 PolarHBondContact O-N 3.02Å
178	D	89.2	Confident	90.7	Very high	65 Å²	65	70.4 Å²	70.4	35%	0.348	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-37.3	179.9	-57.3	-28.2	0	0	0	112	R174 R175 V181 L182	R174-D178 HydrophobicContact CB-CB 4.33Å; R175-D178 PolarHBondContact O-N 2.94Å; R175-D178 VanDerWaalsContact O-N 3.14Å; D178-V181 PolarHBondContact O-N 3.19Å; D178-L182 WeakPolarHBondContact O-CD1 3.38Å; D178-L182 VanDerWaalsContact O-CG 3.28Å; D178-L182 WeakPolarHBondContact O-CG 3.43Å; D178-L182 PolarHBondContact O-N 2.81Å
179	R	90.6	Very high	90.7	Very high	81 Å²	81	70.3 Å²	70.3	31%	0.306	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-47.8	174.5	-66.1	-174.7	-54.2	-158.6	2.9	111.4	S171 R174 R175 K176 A177 V181 L182 E183	S171-R179 WeakPolarHBondContact O-CD 3.28Å; S171-R179 VanDerWaalsContact O-CG 3.29Å; S171-R179 WeakPolarHBondContact O-CG 3.36Å; R174-R179 HydrophobicContact CB-CG 3.87Å; R175-R179 WeakPolarHBondContact O-CG 3.49Å; R175-R179 PolarHBondContact O-N 2.95Å; K176-R179 PolarHBondContact O-N 2.73Å; A177-R179 VanDerWaalsContact C-N 3.3Å; A177-R179 PolarHBondContact O-N 3.28Å; R179-V181 VanDerWaalsContact C-N 3.34Å; R179-V181 PolarHBondContact O-N 3.11Å; R179-L182 PolarHBondContact O-N 3.47Å; R179-E183 WeakPolarHBondContact O-CB 3.33Å; R179-E183 WeakPolarHBondContact O-CG 3.22Å; R179-E183 PolarHBondContact O-N 2.68Å
180	I	88.8	Confident	90.7	Very high	38 Å²	38	63.6 Å²	63.6	20%	0.195	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-44.1	178.9	-66.3	169.4	0	0	0	110.6	L43 T46 I48 K176 A177 L182 E183 C184	L43-I180 HydrophobicContact CD2-CG2 4.14Å; T46-I180 HydrophobicContact CG2-CD1 3.98Å; I48-I180 HydrophobicContact CD1-CB 4.29Å; I48-I180 HydrophobicContact CD1-CG2 4.04Å; K176-I180 HydrophobicContact CG-CD1 4.4Å; K176-I180 WeakPolarHBondContact O-CG1 3.48Å; K176-I180 PolarHBondContact O-N 3.45Å; A177-I180 PolarHBondContact O-N 3.42Å; I180-L182 PolarHBondContact O-N 3.07Å; I180-E183 PolarHBondContact O-N 3.26Å; I180-C184 PolarHBondContact O-N 3.39Å; I180-C184 PolarHBondContact O-SG 3Å
181	V	90.4	Very high	90.7	Very high	13 Å²	13	61.8 Å²	61.8	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-61.3	-47.6	180	174	0	0	0	0	111.2	I48 A177 D178 R179 E183 C184 Q185	I48-V181 HydrophobicContact CD1-CG2 4.3Å; I48-V181 HydrophobicContact CG2-CG2 3.85Å; A177-V181 WeakPolarHBondContact O-CG2 3.3Å; A177-V181 PolarHBondContact O-N 3.02Å; D178-V181 PolarHBondContact O-N 3.19Å; R179-V181 VanDerWaalsContact C-N 3.34Å; R179-V181 PolarHBondContact O-N 3.11Å; V181-E183 VanDerWaalsContact C-N 3.32Å; V181-E183 PolarHBondContact O-N 3.24Å; V181-C184 PolarHBondContact O-N 2.85Å; V181-Q185 HydrophobicContact CG1-CG 4.37Å; V181-Q185 WeakPolarHBondContact O-CB 3.39Å; V181-Q185 VanDerWaalsContact O-CG 3.32Å; V181-Q185 WeakPolarHBondContact O-CG 3.49Å; V181-Q185 PolarHBondContact O-N 3.3Å
182	L	91	Very high	90.8	Very high	58 Å²	58	61 Å²	61	30%	0.304	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-40.4	178.7	-69.5	165	0	0	0	112.1	R174 D178 R179 I180 Q185 E186	R174-L182 VanDerWaalsContact CD-CD1 3.41Å; D178-L182 WeakPolarHBondContact O-CD1 3.38Å; D178-L182 VanDerWaalsContact O-CG 3.28Å; D178-L182 WeakPolarHBondContact O-CG 3.43Å; D178-L182 PolarHBondContact O-N 2.81Å; R179-L182 PolarHBondContact O-N 3.47Å; I180-L182 PolarHBondContact O-N 3.07Å; L182-Q185 PolarHBondContact O-N 3.2Å; L182-E186 WeakPolarHBondContact O-CB 3.31Å; L182-E186 PolarHBondContact O-N 2.85Å
183	E	89.8	Confident	90.7	Very high	67 Å²	67	54.7 Å²	54.7	31%	0.313	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-44.1	176.1	-71.8	174.5	176.6	0	0	111.5	R133 R179 I180 V181 Q187	R133-E183 IonicContact CZ-OE2 2.68Å; R133-E183 IonicContact NH1-OE1 3.24Å; R133-E183 PolarHBondContact NH1-OE1 3.49Å; R133-E183 IonicContact NH1-OE2 3.84Å; R133-E183 PolarHBondContact NH1-OE2 3.21Å; R179-E183 WeakPolarHBondContact O-CB 3.33Å; R179-E183 WeakPolarHBondContact O-CG 3.22Å; R179-E183 PolarHBondContact O-N 2.68Å; I180-E183 PolarHBondContact O-N 3.26Å; V181-E183 VanDerWaalsContact C-N 3.32Å; V181-E183 PolarHBondContact O-N 3.24Å; E183-Q187 WeakPolarHBondContact O-CB 3.23Å; E183-Q187 PolarHBondContact O-N 3.16Å
184	C	90.9	Very high	90.6	Very high	16 Å²	16	49.9 Å²	49.9	11%	0.108	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-41.6	175.6	-68.4	0	0	0	0	112.3	Y86 I180 V181 Q187 A188	Y86-C184 HydrophobicContact CD2-CB 4.2Å; Y86-C184 HydrophobicContact CE2-CB 3.67Å; I180-C184 PolarHBondContact O-N 3.39Å; I180-C184 PolarHBondContact O-SG 3Å; V181-C184 PolarHBondContact O-N 2.85Å; C184-Q187 PolarHBondContact O-N 2.71Å; C184-A188 VanDerWaalsContact O-CB 3.31Å; C184-A188 WeakPolarHBondContact O-CB 3.38Å; C184-A188 PolarHBondContact O-N 3.11Å
185	Q	92.4	Very high	90.6	Very high	27 Å²	27	45.2 Å²	45.2	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-49.4	177.7	-79	-177.8	-39.1	0	0	111.7	Y86 Q106 F110 V181 L182 A188 Y189	Y86-Q185 HydrophobicContact CE1-CG 3.7Å; Y86-Q185 WeakPolarHBondContact OH-CG 3.43Å; Q106-Q185 PolarHBondContact NE2-O 2.99Å; F110-Q185 HydrophobicContact CD2-CB 4.21Å; F110-Q185 HydrophobicContact CE2-CB 4.17Å; V181-Q185 HydrophobicContact CG1-CG 4.37Å; V181-Q185 WeakPolarHBondContact O-CB 3.39Å; V181-Q185 VanDerWaalsContact O-CG 3.32Å; V181-Q185 WeakPolarHBondContact O-CG 3.49Å; V181-Q185 PolarHBondContact O-N 3.3Å; L182-Q185 PolarHBondContact O-N 3.2Å; Q185-A188 PolarHBondContact O-N 3.31Å; Q185-Y189 PolarHBondContact O-N 3.01Å; Q185-Y189 VanDerWaalsContact O-N 3.09Å
186	E	92.4	Very high	90.5	Very high	32 Å²	32	37 Å²	37	15%	0.15	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-39.7	180	-172.2	178.1	-157.4	0	0	111.6	F110 Y126 K129 L182 Y189 W190	F110-E186 HydrophobicContact CE2-CB 4.29Å; F110-E186 HydrophobicContact CZ-CB 4.19Å; F110-E186 HydrophobicContact CZ-CG 4.26Å; Y126-E186 HydrophobicContact CD2-CG 3.75Å; Y126-E186 HydrophobicContact CE2-CG 4.03Å; K129-E186 WeakPolarHBondContact CE-OE2 3.42Å; K129-E186 IonicContact NZ-OE1 3.58Å; K129-E186 PolarHBondContact NZ-OE1 3.21Å; K129-E186 IonicContact NZ-OE2 2.87Å; K129-E186 PolarHBondContact NZ-OE2 2.76Å; L182-E186 WeakPolarHBondContact O-CB 3.31Å; L182-E186 PolarHBondContact O-N 2.85Å; E186-Y189 WeakPolarHBondContact O-CB 3.41Å; E186-Y189 PolarHBondContact O-N 3.2Å; E186-W190 PolarHBondContact O-N 3.34Å; E186-W190 VanDerWaalsContact O-N 3.11Å
187	Q	91.8	Very high	90.4	Very high	37 Å²	37	36.6 Å²	36.6	17%	0.173	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-46	174.8	-178.1	175.8	27.3	0	0	111.7	E183 C184 Y189 W190 L191	E183-Q187 WeakPolarHBondContact O-CB 3.23Å; E183-Q187 PolarHBondContact O-N 3.16Å; C184-Q187 PolarHBondContact O-N 2.71Å; Q187-Y189 VanDerWaalsContact C-N 3.33Å; Q187-Y189 PolarHBondContact O-N 3.01Å; Q187-W190 PolarHBondContact O-N 3.32Å; Q187-L191 HydrophobicContact CG-CD1 4.01Å; Q187-L191 HydrophobicContact CG-CG 4.42Å; Q187-L191 WeakPolarHBondContact O-CG 3.44Å; Q187-L191 PolarHBondContact O-N 3.06Å
188	A	92.6	Very high	90.3	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-41.8	178.4	0	0	0	0	0	111.8	Y86 C184 Q185 W190 L191 I192	Y86-A188 VanDerWaalsContact CB-CB 3.46Å; Y86-A188 HydrophobicContact CD1-CB 4.32Å; Y86-A188 HydrophobicContact CD2-CB 4.34Å; Y86-A188 HydrophobicContact CG-CB 3.8Å; C184-A188 VanDerWaalsContact O-CB 3.31Å; C184-A188 WeakPolarHBondContact O-CB 3.38Å; C184-A188 PolarHBondContact O-N 3.11Å; Q185-A188 PolarHBondContact O-N 3.31Å; A188-W190 PolarHBondContact O-N 3.05Å; A188-L191 PolarHBondContact O-N 2.88Å; A188-I192 PolarHBondContact O-N 3.5Å
189	Y	92.6	Very high	90.1	Very high	23 Å²	23	40.9 Å²	40.9	9%	0.09	23%	0.233	C	C	.	.	H	α-helix	trans	-57	-47.4	174.5	172.3	-99.1	0	0	0	112	F110 A118 Q185 E186 Q187 I192 N193	F110-Y189 HydrophobicContact CB-CD2 3.7Å; F110-Y189 HydrophobicContact CB-CE2 4.5Å; F110-Y189 HydrophobicContact CB-CG 4.17Å; F110-Y189 AromaticContact CD1-CD1 3.94Å; F110-Y189 HydrophobicContact CD1-CD1 3.94Å; F110-Y189 AromaticContact CD1-CD2 3.48Å; F110-Y189 HydrophobicContact CD1-CD2 3.48Å; F110-Y189 VanDerWaalsContact CD1-CD2 3.48Å; F110-Y189 HydrophobicContact CD1-CE1 4.37Å; F110-Y189 AromaticContact CD1-CE2 3.94Å; F110-Y189 HydrophobicContact CD1-CE2 3.94Å; F110-Y189 AromaticContact CD1-CG 3.47Å; F110-Y189 HydrophobicContact CD1-CG 3.47Å; F110-Y189 VanDerWaalsContact CD1-CG 3.47Å; F110-Y189 HydrophobicContact CE1-CD1 4.08Å; F110-Y189 HydrophobicContact CE1-CD2 4.41Å; F110-Y189 HydrophobicContact CE1-CG 4.02Å; F110-Y189 AromaticContact CG-CD2 3.9Å; F110-Y189 HydrophobicContact CG-CD2 3.9Å; F110-Y189 AromaticContact CG-CG 3.95Å; F110-Y189 HydrophobicContact CG-CG 3.95Å; A118-Y189 WeakPolarHBondContact CA-OH 3.4Å; A118-Y189 HydrophobicContact CB-CE1 4.13Å; A118-Y189 VanDerWaalsContact CB-OH 3.22Å; A118-Y189 WeakPolarHBondContact CB-OH 3.26Å; Q185-Y189 PolarHBondContact O-N 3.01Å; Q185-Y189 VanDerWaalsContact O-N 3.09Å; E186-Y189 WeakPolarHBondContact O-CB 3.41Å; E186-Y189 PolarHBondContact O-N 3.2Å; Q187-Y189 VanDerWaalsContact C-N 3.33Å; Q187-Y189 PolarHBondContact O-N 3.01Å; Y189-I192 PolarHBondContact O-N 2.78Å; Y189-N193 VanDerWaalsContact CD2-ND2 3.29Å; Y189-N193 WeakPolarHBondContact CD2-ND2 3.42Å; Y189-N193 WeakPolarHBondContact CE2-ND2 3.42Å; Y189-N193 PolarHBondContact O-N 2.93Å; Y189-N193 PolarHBondContact O-ND2 3.05Å
190	W	92	Very high	89.7	Confident	12 Å²	12	44.1 Å²	44.1	5%	0.045	25%	0.252	C	S	.	.	H	α-helix	trans	-72.2	-31.6	-179	-73.3	116.9	0	0	0	113.8	A118 D122 Y123 Y126 E186 Q187 A188 I192 N193 R194	A118-W190 HydrophobicContact CB-CH2 3.98Å; A118-W190 HydrophobicContact CB-CZ3 3.63Å; D122-W190 VanDerWaalsContact C-CZ2 3.43Å; D122-W190 HydrophobicContact CB-CH2 3.83Å; D122-W190 HydrophobicContact CB-CZ2 3.82Å; D122-W190 WeakPolarHBondContact O-CZ2 3.31Å; Y123-W190 VanDerWaalsContact CB-CZ3 3.46Å; Y123-W190 AromaticContact CD2-CD2 3.56Å; Y123-W190 HydrophobicContact CD2-CD2 3.56Å; Y123-W190 AromaticContact CD2-CE3 3.28Å; Y123-W190 HydrophobicContact CD2-CE3 3.28Å; Y123-W190 HydrophobicContact CD2-CG 4.17Å; Y123-W190 HydrophobicContact CD2-CH2 4.17Å; Y123-W190 HydrophobicContact CD2-CZ2 4.38Å; Y123-W190 AromaticContact CD2-CZ3 3.61Å; Y123-W190 HydrophobicContact CD2-CZ3 3.61Å; Y123-W190 HydrophobicContact CE2-CB 4.42Å; Y123-W190 HydrophobicContact CE2-CD2 4.16Å; Y123-W190 AromaticContact CE2-CE3 3.96Å; Y123-W190 HydrophobicContact CE2-CE3 3.96Å; Y123-W190 HydrophobicContact CE2-CG 4.36Å; Y123-W190 AromaticContact CG-CE3 3.93Å; Y123-W190 HydrophobicContact CG-CE3 3.93Å; Y123-W190 HydrophobicContact CG-CH2 4.24Å; Y123-W190 AromaticContact CG-CZ3 3.77Å; Y123-W190 HydrophobicContact CG-CZ3 3.77Å; Y126-W190 VanDerWaalsContact CB-NE1 3.33Å; Y126-W190 HydrophobicContact CD1-CB 4.28Å; Y126-W190 AromaticContact CD1-CD1 3.4Å; Y126-W190 VanDerWaalsContact CD1-CD1 3.4Å; Y126-W190 HydrophobicContact CD1-CD2 4.3Å; Y126-W190 AromaticContact CD1-CG 3.73Å; Y126-W190 HydrophobicContact CD1-CG 3.73Å; Y126-W190 AromaticContact CD1-NE1 3.8Å; Y126-W190 AromaticContact CD2-CD1 3.41Å; Y126-W190 VanDerWaalsContact CD2-CD1 3.41Å; Y126-W190 HydrophobicContact CD2-CG 4.46Å; Y126-W190 AromaticContact CD2-NE1 3.64Å; Y126-W190 HydrophobicContact CE1-CB 3.98Å; Y126-W190 AromaticContact CE1-CD1 3.69Å; Y126-W190 AromaticContact CE1-CG 3.91Å; Y126-W190 HydrophobicContact CE1-CG 3.91Å; Y126-W190 AromaticContact CE2-CD1 3.7Å; Y126-W190 AromaticContact CG-CD1 3.24Å; Y126-W190 HydrophobicContact CG-CD2 4.49Å; Y126-W190 HydrophobicContact CG-CG 4.02Å; Y126-W190 AromaticContact CG-NE1 3.29Å; Y126-W190 VanDerWaalsContact CG-NE1 3.29Å; Y126-W190 AromaticContact CZ-CD1 3.83Å; E186-W190 PolarHBondContact O-N 3.34Å; E186-W190 VanDerWaalsContact O-N 3.11Å; Q187-W190 PolarHBondContact O-N 3.32Å; A188-W190 PolarHBondContact O-N 3.05Å; W190-I192 PolarHBondContact O-N 3.29Å; W190-N193 HydrophobicContact CE3-CB 4.4Å; W190-R194 HydrophobicContact CE3-CB 4.41Å; W190-R194 HydrophobicContact CE3-CG 3.84Å; W190-R194 HydrophobicContact CZ3-CG 4.04Å; W190-R194 CarbonylContact O-C 3.59Å; W190-R194 VanDerWaalsContact O-C 3.3Å; W190-R194 VanDerWaalsContact O-CA 3.3Å; W190-R194 WeakPolarHBondContact O-CA 3.43Å; W190-R194 WeakPolarHBondContact O-CB 3.28Å; W190-R194 PolarHBondContact O-N 3.08Å
191	L	91.5	Very high	89.6	Confident	12 Å²	12	45.3 Å²	45.3	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-26.5	174.3	-75.7	168.2	0	0	0	112.9	P91 R92 L94 Q187 A188 P195 P196	P91-L191 WeakPolarHBondContact O-CD1 3.31Å; R92-L191 HydrophobicContact CG-CD1 4.43Å; R92-L191 HydrophobicContact CG-CD2 4.39Å; L94-L191 HydrophobicContact CD1-CB 4.29Å; Q187-L191 HydrophobicContact CG-CD1 4.01Å; Q187-L191 HydrophobicContact CG-CG 4.42Å; Q187-L191 WeakPolarHBondContact O-CG 3.44Å; Q187-L191 PolarHBondContact O-N 3.06Å; A188-L191 PolarHBondContact O-N 2.88Å; L191-P195 VanDerWaalsContact O-CA 3.24Å; L191-P195 WeakPolarHBondContact O-CA 3.26Å; L191-P196 HydrophobicContact CD2-CG 4.15Å
192	I	90.5	Very high	89.3	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-90.5	-44.3	179.4	-65.6	164.1	0	0	0	111	G83 L94 T112 A188 Y189 W190 L203	G83-I192 VanDerWaalsContact N-CD1 3.27Å; L94-I192 HydrophobicContact CD1-CD1 4.32Å; L94-I192 HydrophobicContact CD1-CG1 3.58Å; T112-I192 HydrophobicContact CG2-CG2 4.32Å; A188-I192 PolarHBondContact O-N 3.5Å; Y189-I192 PolarHBondContact O-N 2.78Å; W190-I192 PolarHBondContact O-N 3.29Å; I192-L203 HydrophobicContact CG2-CD1 4.1Å; I192-L203 HydrophobicContact CG2-CG 4.18Å
193	N	89.4	Confident	88.9	Confident	25 Å²	25	44.8 Å²	44.8	13%	0.134	26%	0.255	C	S	.	.	H	α-helix	trans	-78.3	-23.2	-178.1	-74.8	-87.5	0	0	0	113.2	A118 Y189 W190	A118-N193 HydrophobicContact CB-CB 3.65Å; Y189-N193 VanDerWaalsContact CD2-ND2 3.29Å; Y189-N193 WeakPolarHBondContact CD2-ND2 3.42Å; Y189-N193 WeakPolarHBondContact CE2-ND2 3.42Å; Y189-N193 PolarHBondContact O-N 2.93Å; Y189-N193 PolarHBondContact O-ND2 3.05Å; W190-N193 HydrophobicContact CE3-CB 4.4Å
194	R	89.5	Confident	88.6	Confident	75 Å²	75	46.8 Å²	46.8	28%	0.283	27%	0.268	S	S	.	.	S	Bend	trans	-138.9	69	178.9	-64.9	-63.1	-175.9	-81.6	-2.7	109.1	A118 Y123 W190	A118-R194 PolarHBondContact O-NH2 2.96Å; Y123-R194 HydrophobicContact CD1-CG 3.92Å; Y123-R194 HydrophobicContact CD2-CG 4.1Å; Y123-R194 HydrophobicContact CE1-CB 4.14Å; Y123-R194 HydrophobicContact CE1-CG 3.92Å; Y123-R194 HydrophobicContact CE2-CB 4.02Å; Y123-R194 HydrophobicContact CE2-CG 4.09Å; Y123-R194 HydrophobicContact CG-CG 4.03Å; W190-R194 HydrophobicContact CE3-CB 4.41Å; W190-R194 HydrophobicContact CE3-CG 3.84Å; W190-R194 HydrophobicContact CZ3-CG 4.04Å; W190-R194 CarbonylContact O-C 3.59Å; W190-R194 VanDerWaalsContact O-C 3.3Å; W190-R194 VanDerWaalsContact O-CA 3.3Å; W190-R194 WeakPolarHBondContact O-CA 3.43Å; W190-R194 WeakPolarHBondContact O-CB 3.28Å; W190-R194 PolarHBondContact O-N 3.08Å
195	P	89.7	Confident	87.6	Confident	34 Å²	34	52.7 Å²	52.7	22%	0.221	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-62.8	148.5	-175.5	25.9	-33.6	0	0	0	111.7	L191 V199 N201	L191-P195 VanDerWaalsContact O-CA 3.24Å; L191-P195 WeakPolarHBondContact O-CA 3.26Å; P195-V199 HydrophobicContact CB-CB 4.27Å; P195-V199 HydrophobicContact CB-CG1 4.33Å; P195-N201 HydrophobicContact CG-CB 4.1Å
196	P	89.2	Confident	86.7	Confident	28 Å²	28	53.5 Å²	53.5	18%	0.182	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-57.2	152.8	171.6	-21.3	31.8	0	0	0	111.9	Y141 L191 G198 V199	Y141-P196 HydrophobicContact CE1-CB 4.22Å; Y141-P196 HydrophobicContact CE1-CG 4.42Å; Y141-P196 HydrophobicContact CE2-CB 4.33Å; Y141-P196 HydrophobicContact CE2-CG 4.44Å; L191-P196 HydrophobicContact CD2-CG 4.15Å; P196-G198 PolarHBondContact O-N 2.9Å; P196-V199 HydrophobicContact CB-CG2 4.08Å; P196-V199 HydrophobicContact CG-CG2 4.26Å; P196-V199 WeakPolarHBondContact O-CB 3.22Å; P196-V199 PolarHBondContact O-N 3.24Å; P196-V199 VanDerWaalsContact O-N 3.15Å
197	P	87.9	Confident	85.9	Confident	97 Å²	97	60.2 Å²	60.2	63%	0.63	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	136.7	173.9	-23.5	33.4	0	0	0	111.8	Y141 V199	Y141-P197 HydrophobicContact CG-CG 4.41Å; P197-V199 VanDerWaalsContact C-N 3.29Å; P197-V199 PolarHBondContact O-N 3.16Å
198	G	84.2	Confident	84.7	Confident	92 Å²	92	64.4 Å²	64.4	95%	0.948	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-7.1	-178.7	0	0	0	0	0	115.3	P196	P196-G198 PolarHBondContact O-N 2.9Å
199	V	85.3	Confident	83.3	Confident	81 Å²	81	73.2 Å²	73.2	49%	0.491	39%	0.392	S	S	.	.	S	Bend	trans	-89.2	135.7	172.5	-179.6	0	0	0	0	109.7	P195 P196 P197 N201	P195-V199 HydrophobicContact CB-CB 4.27Å; P195-V199 HydrophobicContact CB-CG1 4.33Å; P196-V199 HydrophobicContact CB-CG2 4.08Å; P196-V199 HydrophobicContact CG-CG2 4.26Å; P196-V199 WeakPolarHBondContact O-CB 3.22Å; P196-V199 PolarHBondContact O-N 3.24Å; P196-V199 VanDerWaalsContact O-N 3.15Å; P197-V199 VanDerWaalsContact C-N 3.29Å; P197-V199 PolarHBondContact O-N 3.16Å; V199-N201 PolarHBondContact O-N 2.67Å
200	Q	82.8	Confident	81.6	Confident	149 Å²	149	77.7 Å²	77.7	70%	0.696	42%	0.424	S	S	*	.			trans	-59	125.7	175.8	-175.1	178.5	5.2	0	0	110.4	M202	Q200-M202 PolarHBondContact O-N 3Å
201	N	85.8	Confident	79.9	Confident	64 Å²	64	84 Å²	84	34%	0.342	46%	0.459	S	S	.	.			trans	-77.2	103.9	173.1	-178.6	10.9	0	0	0	109.7	P195 V199 L203 D204	P195-N201 HydrophobicContact CG-CB 4.1Å; V199-N201 PolarHBondContact O-N 2.67Å; N201-L203 PolarHBondContact O-N 3.13Å; N201-L203 PolarHBondContact OD1-N 3.28Å; N201-D204 HydrophobicContact CB-CB 4.15Å; N201-D204 VanDerWaalsContact O-CB 3.31Å; N201-D204 WeakPolarHBondContact O-CB 3.19Å; N201-D204 PolarHBondContact O-N 3.05Å
202	M	83.9	Confident	78.1	Confident	36 Å²	36	85.1 Å²	85.1	18%	0.177	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.8	179.5	-59.9	-63.1	-62	0	0	113.2	M78 K81 Y82 Q200	M78-M202 HydrophobicContact SD-CE 4.18Å; K81-M202 HydrophobicContact CB-CE 3.64Å; K81-M202 HydrophobicContact CB-CG 3.98Å; K81-M202 HydrophobicContact CB-SD 4.12Å; K81-M202 HydrophobicContact CD-CE 3.66Å; K81-M202 HydrophobicContact CD-SD 3.86Å; K81-M202 HydrophobicContact CG-CE 4.23Å; K81-M202 HydrophobicContact CG-SD 4.38Å; Y82-M202 HydrophobicContact CE1-CB 4.31Å; Y82-M202 WeakPolarHBondContact CE1-O 3.25Å; Y82-M202 HydrophobicContact CE2-CE 4.35Å; Q200-M202 PolarHBondContact O-N 3Å
203	L	83.3	Confident	76.3	Confident	24 Å²	24	88.6 Å²	88.6	13%	0.126	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	8.4	175.1	-55.8	-179.1	0	0	0	112	Y82 T112 I192 N201 W205	Y82-L203 HydrophobicContact CD1-CD2 4.38Å; T112-L203 HydrophobicContact CG2-CD2 3.86Å; I192-L203 HydrophobicContact CG2-CD1 4.1Å; I192-L203 HydrophobicContact CG2-CG 4.18Å; N201-L203 PolarHBondContact O-N 3.13Å; N201-L203 PolarHBondContact OD1-N 3.28Å; L203-W205 HydrophobicContact CB-CZ3 4.34Å; L203-W205 WeakPolarHBondContact O-CZ3 3.43Å; L203-W205 PolarHBondContact O-N 2.65Å
204	D	82.2	Confident	74.5	Confident	109 Å²	109	90.3 Å²	90.3	58%	0.583	50%	0.504	S	S	*	.			trans	-73.6	113.5	171.6	-170.9	-0.7	0	0	0	110	N201 G206	N201-D204 HydrophobicContact CB-CB 4.15Å; N201-D204 VanDerWaalsContact O-CB 3.31Å; N201-D204 WeakPolarHBondContact O-CB 3.19Å; N201-D204 PolarHBondContact O-N 3.05Å; D204-G206 PolarHBondContact OD1-N 3.11Å
205	W	70.1	Confident	72.5	Confident	139 Å²	139	91.1 Å²	91.1	53%	0.527	52%	0.517	S	S	.	.			trans	-95	9.3	-179.9	44.4	74.1	0	0	0	113.2	M16 L203	M16-W205 HydrophobicContact CE-CB 4.11Å; L203-W205 HydrophobicContact CB-CZ3 4.34Å; L203-W205 WeakPolarHBondContact O-CZ3 3.43Å; L203-W205 PolarHBondContact O-N 2.65Å
206	G	74.9	Confident	70.6	Confident	45 Å²	45	100.9 Å²	100.9	46%	0.464	55%	0.55	S	S	.	.			trans	67.6	-153	-174.8	0	0	0	0	0	111.7	D204 E208	D204-G206 PolarHBondContact OD1-N 3.11Å; G206-E208 PolarHBondContact O-N 2.94Å
207	L	73.9	Confident	68.7	Low	173 Å²	173	104.8 Å²	104.8	91%	0.906	57%	0.572	S	S	*	*	S	Bend	trans	-66.4	133.8	-178.6	-67.3	172.4	0	0	0	111.5	R209	L207-R209 PolarHBondContact O-N 3.13Å
208	E	67	Low	67.1	Low	124 Å²	124	105 Å²	105	58%	0.579	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-60.8	136.9	177	-64.6	-172.8	169.2	0	0	111.1	G206	G206-E208 PolarHBondContact O-N 2.94Å
209	R	63.4	Low	65.6	Low	188 Å²	188	105.9 Å²	105.9	71%	0.709	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-77.9	128.2	176.4	-68.3	-175.3	178.8	-174.3	-1.2	109.2	L207 N211	L207-R209 PolarHBondContact O-N 3.13Å; R209-N211 PolarHBondContact O-N 2.97Å; R209-N211 VanDerWaalsContact O-N 3.15Å
210	P	57.5	Low	64.4	Low	117 Å²	117	108 Å²	108	76%	0.76	57%	0.569	S	S	*	*	S	Bend	trans	-59.8	-27.6	-179.5	-23.9	31.9	0	0	0	114.1
211	N	56.7	Low	63.4	Low	145 Å²	145	104.8 Å²	104.8	78%	0.775	56%	0.56	S	S	*	*			trans	-111.6	105.4	-176.6	-75.5	-13.1	0	0	0	110.7	R209	R209-N211 PolarHBondContact O-N 2.97Å; R209-N211 VanDerWaalsContact O-N 3.15Å
212	N	53.9	Low	62.7	Low	34 Å²	34	104 Å²	104	18%	0.182	56%	0.56	C	S	.	*			trans	-85.6	107.8	170.7	-87.2	-30.6	0	0	0	110.9	Q12 S214 T215	Q12-N212 PolarHBondContact N-ND2 3.21Å; Q12-N212 PolarHBondContact O-ND2 3.36Å; Q12-N212 PolarHBondContact O-OD1 3.46Å; N212-S214 PolarHBondContact O-N 2.86Å; N212-S214 VanDerWaalsContact O-N 3.07Å; N212-T215 PolarHBondContact O-N 3.23Å; N212-T215 PolarHBondContact O-OG1 3.49Å
213	S	52.6	Low	62.5	Low	81 Å²	81	107.1 Å²	107.1	57%	0.566	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-6.1	168.3	26	0	0	0	0	114.4	E14	E14-S213 PolarHBondContact OE1-OG 3.2Å; E14-S213 PolarHBondContact OE2-OG 3.4Å
214	S	50.4	Low	62.6	Low	62 Å²	62	110.9 Å²	110.9	43%	0.434	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-17.7	177.6	-68.2	0	0	0	0	113.7	N212 R216	N212-S214 PolarHBondContact O-N 2.86Å; N212-S214 VanDerWaalsContact O-N 3.07Å; S214-R216 PolarHBondContact O-N 3.01Å
215	T	48.7	Very low	62.7	Low	91 Å²	91	111.1 Å²	111.1	56%	0.558	59%	0.59	S	S	*	*	S	Bend	trans	-73.9	113.2	166	-30.3	0	0	0	0	105.4	N212 V217	N212-T215 PolarHBondContact O-N 3.23Å; N212-T215 PolarHBondContact O-OG1 3.49Å; T215-V217 PolarHBondContact O-N 3.39Å
216	R	49.6	Very low	63.5	Low	240 Å²	240	109.8 Å²	109.8	91%	0.906	59%	0.586	S	S	*	*			trans	-57.4	85.7	151.6	-77.6	-178.1	178	176.1	-1.1	104.6	S214 P218	S214-R216 PolarHBondContact O-N 3.01Å; R216-P218 WeakPolarHBondContact O-CD 3.15Å
217	V	49.2	Very low	64.3	Low	109 Å²	109	113.3 Å²	113.3	66%	0.661	59%	0.589	S	S	*	*			trans	-55.5	114.6	165.7	-175.7	0	0	0	0	101.4	T215 L219	T215-V217 PolarHBondContact O-N 3.39Å; V217-L219 VanDerWaalsContact C-N 3.31Å; V217-L219 PolarHBondContact O-N 3.34Å
218	P	53.3	Low	65	Low	102 Å²	102	108.4 Å²	108.4	66%	0.662	57%	0.569	S	S	*	*			trans	-52.3	115	166.1	-14	27.3	0	0	0	102.4	R216 V220	R216-P218 WeakPolarHBondContact O-CD 3.15Å; P218-V220 PolarHBondContact O-N 3.05Å
219	L	54.3	Low	66.2	Low	111 Å²	111	106.6 Å²	106.6	58%	0.581	56%	0.56	S	S	*	*			trans	-55.1	97.8	166.3	-102.8	122.9	0	0	0	102.4	V217 T221 Y225	V217-L219 VanDerWaalsContact C-N 3.31Å; V217-L219 PolarHBondContact O-N 3.34Å; L219-T221 HydrophobicContact CB-CG2 4.01Å; L219-T221 HydrophobicContact CD2-CG2 4.27Å; L219-T221 PolarHBondContact O-N 2.77Å; L219-Y225 HydrophobicContact CD2-CD1 4.18Å; L219-Y225 HydrophobicContact CD2-CE1 4.17Å; L219-Y225 HydrophobicContact CD2-CG 4.43Å
220	V	59.3	Low	67.7	Low	126 Å²	126	101.6 Å²	101.6	76%	0.764	55%	0.547	S	S	*	.			trans	-63.2	90.3	152.3	179.4	0	0	0	0	99.6	P218 S222	P218-V220 PolarHBondContact O-N 3.05Å; V220-S222 PolarHBondContact O-N 2.88Å
221	T	61.8	Low	69.5	Low	81 Å²	81	100.7 Å²	100.7	50%	0.497	53%	0.532	S	S	.	.			trans	-62.8	68.9	176.4	31	0	0	0	0	105.9	L219 N223 Y226	L219-T221 HydrophobicContact CB-CG2 4.01Å; L219-T221 HydrophobicContact CD2-CG2 4.27Å; L219-T221 PolarHBondContact O-N 2.77Å; T221-N223 PolarHBondContact O-N 3.44Å; T221-Y226 HydrophobicContact CG2-CE2 3.8Å; T221-Y226 VanDerWaalsContact CG2-OH 3.26Å; T221-Y226 WeakPolarHBondContact CG2-OH 3.33Å
222	S	70.8	Confident	71.3	Confident	48 Å²	48	97.4 Å²	97.4	34%	0.336	52%	0.518	S	S	.	.			trans	-65.3	135.8	174.1	178.2	0	0	0	0	105.6	V220 D224 Y225	V220-S222 PolarHBondContact O-N 2.88Å; S222-D224 PolarHBondContact O-N 3.18Å; S222-D224 PolarHBondContact OG-N 2.95Å; S222-D224 PolarHBondContact OG-OD2 3.25Å; S222-Y225 WeakPolarHBondContact O-CB 3.49Å; S222-Y225 PolarHBondContact O-N 3.24Å
223	N	80.6	Confident	73.2	Confident	101 Å²	101	98.5 Å²	98.5	54%	0.54	53%	0.528	S	S	.	.	H	α-helix	trans	-48.9	-31	173.9	-168.7	-78.2	0	0	0	111.6	T221 Y225 Y226 K227	T221-N223 PolarHBondContact O-N 3.44Å; N223-Y225 PolarHBondContact O-N 3.29Å; N223-Y226 PolarHBondContact O-N 3.34Å; N223-K227 WeakPolarHBondContact O-CG 3.49Å; N223-K227 PolarHBondContact O-N 3.26Å; N223-K227 VanDerWaalsContact OD1-CD 3.32Å; N223-K227 WeakPolarHBondContact OD1-CD 3.4Å; N223-K227 WeakPolarHBondContact OD1-CE 3.44Å; N223-K227 PolarHBondContact OD1-NZ 2.77Å
224	D	84.5	Confident	75.3	Confident	103 Å²	103	103.4 Å²	103.4	55%	0.551	53%	0.534	S	S	*	.	H	α-helix	trans	-67.3	-32.6	179.1	-58.8	-31.6	0	0	0	113.8	S222 K227 S228	S222-D224 PolarHBondContact O-N 3.18Å; S222-D224 PolarHBondContact OG-N 2.95Å; S222-D224 PolarHBondContact OG-OD2 3.25Å; D224-K227 PolarHBondContact O-N 3.34Å; D224-S228 WeakPolarHBondContact O-CB 3.45Å; D224-S228 PolarHBondContact O-N 3.02Å
225	Y	84.6	Confident	77.5	Confident	113 Å²	113	107.3 Å²	107.3	44%	0.443	54%	0.54	S	S	.	.	H	α-helix	trans	-62.8	-52.1	174.7	171.6	-92.3	0	0	0	110.2	L219 S222 N223 K227 S228 E229	L219-Y225 HydrophobicContact CD2-CD1 4.18Å; L219-Y225 HydrophobicContact CD2-CE1 4.17Å; L219-Y225 HydrophobicContact CD2-CG 4.43Å; S222-Y225 WeakPolarHBondContact O-CB 3.49Å; S222-Y225 PolarHBondContact O-N 3.24Å; N223-Y225 PolarHBondContact O-N 3.29Å; Y225-K227 VanDerWaalsContact C-N 3.32Å; Y225-K227 PolarHBondContact O-N 2.78Å; Y225-S228 WeakPolarHBondContact O-CB 3.46Å; Y225-S228 PolarHBondContact O-N 3.37Å; Y225-S228 VanDerWaalsContact O-N 3.15Å; Y225-E229 WeakPolarHBondContact CE1-OE2 3.4Å; Y225-E229 WeakPolarHBondContact O-CB 3.26Å; Y225-E229 PolarHBondContact O-N 3.3Å
226	Y	86.8	Confident	79.7	Confident	111 Å²	111	104.4 Å²	104.4	44%	0.435	53%	0.525	S	S	.	.	H	α-helix	trans	-65.3	-36.4	179.9	-69.4	-60.4	0	0	0	112.1	T221 N223 E229 I230	T221-Y226 HydrophobicContact CG2-CE2 3.8Å; T221-Y226 VanDerWaalsContact CG2-OH 3.26Å; T221-Y226 WeakPolarHBondContact CG2-OH 3.33Å; N223-Y226 PolarHBondContact O-N 3.34Å; Y226-E229 PolarHBondContact O-N 3.09Å; Y226-I230 VanDerWaalsContact O-CB 3.27Å; Y226-I230 WeakPolarHBondContact O-CB 3.4Å; Y226-I230 WeakPolarHBondContact O-CD1 3.35Å; Y226-I230 WeakPolarHBondContact O-CG1 3.2Å; Y226-I230 PolarHBondContact O-N 2.92Å
227	K	90.8	Very high	81.9	Confident	120 Å²	120	99.5 Å²	99.5	52%	0.522	52%	0.516	S	S	.	.	H	α-helix	trans	-58.4	-47.5	171.7	-78.7	170.6	170.1	156.1	0	111.6	N223 D224 Y225 I230 E231	N223-K227 WeakPolarHBondContact O-CG 3.49Å; N223-K227 PolarHBondContact O-N 3.26Å; N223-K227 VanDerWaalsContact OD1-CD 3.32Å; N223-K227 WeakPolarHBondContact OD1-CD 3.4Å; N223-K227 WeakPolarHBondContact OD1-CE 3.44Å; N223-K227 PolarHBondContact OD1-NZ 2.77Å; D224-K227 PolarHBondContact O-N 3.34Å; Y225-K227 VanDerWaalsContact C-N 3.32Å; Y225-K227 PolarHBondContact O-N 2.78Å; K227-I230 PolarHBondContact O-N 3.06Å; K227-E231 WeakPolarHBondContact O-CB 3.31Å; K227-E231 PolarHBondContact O-N 3.47Å
228	S	90.3	Very high	84.1	Confident	69 Å²	69	97.3 Å²	97.3	48%	0.483	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-41.3	178.4	-170.6	0	0	0	0	112.4	D224 Y225 E231 T232	D224-S228 WeakPolarHBondContact O-CB 3.45Å; D224-S228 PolarHBondContact O-N 3.02Å; Y225-S228 WeakPolarHBondContact O-CB 3.46Å; Y225-S228 PolarHBondContact O-N 3.37Å; Y225-S228 VanDerWaalsContact O-N 3.15Å; S228-E231 PolarHBondContact O-N 3.31Å; S228-T232 VanDerWaalsContact O-CB 3.32Å; S228-T232 WeakPolarHBondContact O-CB 3.34Å; S228-T232 PolarHBondContact O-N 2.8Å; S228-T232 PolarHBondContact O-OG1 3.27Å
229	E	91.8	Very high	86.2	Confident	86 Å²	86	100.6 Å²	100.6	40%	0.402	52%	0.515	S	S	.	.	H	α-helix	trans	-65.9	-43.8	177.4	-173	178.1	-165.4	0	0	111.9	Y225 Y226 T232 S233	Y225-E229 WeakPolarHBondContact CE1-OE2 3.4Å; Y225-E229 WeakPolarHBondContact O-CB 3.26Å; Y225-E229 PolarHBondContact O-N 3.3Å; Y226-E229 PolarHBondContact O-N 3.09Å; E229-T232 PolarHBondContact O-N 3.29Å; E229-S233 WeakPolarHBondContact O-CB 3.43Å; E229-S233 PolarHBondContact O-N 2.89Å; E229-S233 PolarHBondContact O-OG 2.94Å
230	I	94	Very high	88.1	Confident	84 Å²	84	103.3 Å²	103.3	43%	0.431	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-46.1	175.1	-71.1	164.9	0	0	0	110.1	Y226 K227 S233 R234	Y226-I230 VanDerWaalsContact O-CB 3.27Å; Y226-I230 WeakPolarHBondContact O-CB 3.4Å; Y226-I230 WeakPolarHBondContact O-CD1 3.35Å; Y226-I230 WeakPolarHBondContact O-CG1 3.2Å; Y226-I230 PolarHBondContact O-N 2.92Å; K227-I230 PolarHBondContact O-N 3.06Å; I230-S233 PolarHBondContact O-N 3.04Å; I230-R234 HydrophobicContact CG2-CG 4.37Å; I230-R234 WeakPolarHBondContact O-CB 3.16Å; I230-R234 WeakPolarHBondContact O-CG 3.46Å; I230-R234 PolarHBondContact O-N 3.35Å
231	E	95.3	Very high	89.8	Confident	97 Å²	97	105.3 Å²	105.3	45%	0.453	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-44.2	179.3	-167.6	-179	-176.2	0	0	111.4	K227 S228 S233 R234 R235	K227-E231 WeakPolarHBondContact O-CB 3.31Å; K227-E231 PolarHBondContact O-N 3.47Å; S228-E231 PolarHBondContact O-N 3.31Å; E231-S233 VanDerWaalsContact C-N 3.32Å; E231-S233 PolarHBondContact O-N 3.31Å; E231-R234 PolarHBondContact O-N 3.15Å; E231-R235 WeakPolarHBondContact O-CG 3.49Å; E231-R235 PolarHBondContact O-N 2.97Å; E231-R235 IonicContact OE1-CZ 3.75Å; E231-R235 IonicContact OE1-NE 2.72Å; E231-R235 IonicContact OE1-NH2 2.73Å; E231-R235 PolarHBondContact OE1-NH2 3.5Å; E231-R235 IonicContact OE2-NH2 3.39Å; E231-R235 PolarHBondContact OE2-NH2 3.28Å
232	T	94.6	Very high	91.5	Very high	76 Å²	76	106.6 Å²	106.6	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-59.4	-44.6	175.2	-60.7	0	0	0	0	111.2	S228 E229 R235 A236	S228-T232 VanDerWaalsContact O-CB 3.32Å; S228-T232 WeakPolarHBondContact O-CB 3.34Å; S228-T232 PolarHBondContact O-N 2.8Å; S228-T232 PolarHBondContact O-OG1 3.27Å; E229-T232 PolarHBondContact O-N 3.29Å; T232-R235 PolarHBondContact O-N 3.42Å; T232-A236 WeakPolarHBondContact O-CB 3.25Å; T232-A236 PolarHBondContact O-N 2.65Å
233	S	94.9	Very high	92.8	Very high	58 Å²	58	112 Å²	112	41%	0.406	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-43.6	177.6	-61.7	0	0	0	0	112	E229 I230 E231 R235 A236 L237	E229-S233 WeakPolarHBondContact O-CB 3.43Å; E229-S233 PolarHBondContact O-N 2.89Å; E229-S233 PolarHBondContact O-OG 2.94Å; I230-S233 PolarHBondContact O-N 3.04Å; E231-S233 VanDerWaalsContact C-N 3.32Å; E231-S233 PolarHBondContact O-N 3.31Å; S233-R235 PolarHBondContact O-N 3.44Å; S233-A236 PolarHBondContact O-N 3.42Å; S233-A236 VanDerWaalsContact O-N 3.17Å; S233-L237 WeakPolarHBondContact O-CG 3.44Å; S233-L237 PolarHBondContact O-N 3.45Å
234	R	96.4	Very high	93.6	Very high	183 Å²	183	111.4 Å²	111.4	69%	0.691	55%	0.552	S	S	*	*	H	α-helix	trans	-60	-46.6	175.1	-76.8	176.6	179.1	170.6	0.6	111.5	I230 E231 A236 L237 G238	I230-R234 HydrophobicContact CG2-CG 4.37Å; I230-R234 WeakPolarHBondContact O-CB 3.16Å; I230-R234 WeakPolarHBondContact O-CG 3.46Å; I230-R234 PolarHBondContact O-N 3.35Å; E231-R234 PolarHBondContact O-N 3.15Å; R234-A236 VanDerWaalsContact C-N 3.3Å; R234-A236 PolarHBondContact O-N 2.87Å; R234-L237 PolarHBondContact O-N 3.15Å; R234-G238 PolarHBondContact O-N 2.82Å
235	R	95.4	Very high	94.2	Very high	144 Å²	144	110.3 Å²	110.3	54%	0.543	55%	0.552	S	S	.	*	H	α-helix	trans	-60.3	-40.2	174.6	-68.8	178.6	-161.1	154.3	-3	111.4	E231 T232 S233 G238	E231-R235 WeakPolarHBondContact O-CG 3.49Å; E231-R235 PolarHBondContact O-N 2.97Å; E231-R235 IonicContact OE1-CZ 3.75Å; E231-R235 IonicContact OE1-NE 2.72Å; E231-R235 IonicContact OE1-NH2 2.73Å; E231-R235 PolarHBondContact OE1-NH2 3.5Å; E231-R235 IonicContact OE2-NH2 3.39Å; E231-R235 PolarHBondContact OE2-NH2 3.28Å; T232-R235 PolarHBondContact O-N 3.42Å; S233-R235 PolarHBondContact O-N 3.44Å; R235-G238 PolarHBondContact O-N 3.47Å
236	A	95.6	Very high	94.9	Very high	31 Å²	31	108.9 Å²	108.9	26%	0.256	56%	0.556	S	S	.	*	H	α-helix	trans	-68.2	-37.3	177.6	0	0	0	0	0	112.7	T232 S233 R234 R239 R241	T232-A236 WeakPolarHBondContact O-CB 3.25Å; T232-A236 PolarHBondContact O-N 2.65Å; S233-A236 PolarHBondContact O-N 3.42Å; S233-A236 VanDerWaalsContact O-N 3.17Å; R234-A236 VanDerWaalsContact C-N 3.3Å; R234-A236 PolarHBondContact O-N 2.87Å; A236-R239 PolarHBondContact O-N 2.78Å; A236-R241 PolarHBondContact O-NH1 3.5Å; A236-R241 PolarHBondContact O-NH2 2.64Å
237	L	96	Very high	95.4	Very high	137 Å²	137	106.6 Å²	106.6	72%	0.717	56%	0.555	S	S	*	*	H	α-helix	trans	-68.5	-34.8	176	-72.6	171.4	0	0	0	111.9	S233 R234 R239	S233-L237 WeakPolarHBondContact O-CG 3.44Å; S233-L237 PolarHBondContact O-N 3.45Å; R234-L237 PolarHBondContact O-N 3.15Å; L237-R239 PolarHBondContact O-N 2.89Å
238	G	95.5	Very high	95.7	Very high	63 Å²	63	106.1 Å²	106.1	65%	0.649	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-7.4	176.1	0	0	0	0	0	115.3	R234 R235	R234-G238 PolarHBondContact O-N 2.82Å; R235-G238 PolarHBondContact O-N 3.47Å
239	R	95.9	Very high	96.1	Very high	171 Å²	171	107.9 Å²	107.9	65%	0.645	56%	0.558	S	S	*	*	S	Bend	trans	-80	124.2	176.9	-70.8	175.6	-177	161.6	0	110.9	A236 L237 R241	A236-R239 PolarHBondContact O-N 2.78Å; L237-R239 PolarHBondContact O-N 2.89Å; R239-R241 PolarHBondContact O-N 2.99Å; R239-R241 PolarHBondContact O-NH1 3.45Å
240	N	96.2	Very high	96.3	Very high	167 Å²	167	105.7 Å²	105.7	89%	0.893	56%	0.559	S	S	*	*			trans	-62.3	133.4	169.3	-66.9	-22.6	0	0	0	110
241	R	94.8	Very high	96.5	Very high	169 Å²	169	108.3 Å²	108.3	64%	0.638	57%	0.567	S	S	*	*			trans	-119.9	149.3	179	-67.3	174.5	-178.9	75.7	-4.3	109.8	A236 R239	A236-R241 PolarHBondContact O-NH1 3.5Å; A236-R241 PolarHBondContact O-NH2 2.64Å; R239-R241 PolarHBondContact O-N 2.99Å; R239-R241 PolarHBondContact O-NH1 3.45Å
242	V	96.4	Very high	96.6	Very high	107 Å²	107	107.1 Å²	107.1	65%	0.648	57%	0.567	S	S	*	*			trans	-107.3	154.1	172.8	-76.3	0	0	0	0	109.5	C247	V242-C247 WeakPolarHBondContact CG2-SG 3.16Å
243	K	98	Very high	96.8	Very high	162 Å²	162	109 Å²	109	70%	0.704	57%	0.568	S	S	*	*			trans	-64.7	144.9	179.2	-66.7	-177.9	178.9	-179.9	0	110.3	S245 V246 C247	K243-S245 PolarHBondContact O-N 3.25Å; K243-V246 HydrophobicContact CB-CG2 4.32Å; K243-V246 PolarHBondContact O-N 3.08Å; K243-C247 PolarHBondContact O-N 3.07Å; K243-C247 VanDerWaalsContact O-N 3.16Å
244	S	98.1	Very high	96.9	Very high	89 Å²	89	111.8 Å²	111.8	62%	0.622	57%	0.57	S	S	*	*	H	α-helix	trans	-55.6	-35.7	176.7	-52.5	0	0	0	0	112.7	V246 C247 L248	S244-V246 VanDerWaalsContact C-N 3.33Å; S244-V246 PolarHBondContact O-N 3.01Å; S244-C247 PolarHBondContact O-N 3.37Å; S244-L248 VanDerWaalsContact O-CB 3.32Å; S244-L248 WeakPolarHBondContact O-CB 3.41Å; S244-L248 WeakPolarHBondContact O-CG 3.32Å; S244-L248 PolarHBondContact O-N 3.29Å
245	S	97.7	Very high	96.9	Very high	79 Å²	79	105.4 Å²	105.4	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-58	-43.9	176.2	56.5	0	0	0	0	112.5	K243 E249	K243-S245 PolarHBondContact O-N 3.25Å; S245-E249 VanDerWaalsContact O-CB 3.25Å; S245-E249 WeakPolarHBondContact O-CB 3.41Å; S245-E249 PolarHBondContact O-N 3.21Å
246	V	97.9	Very high	97	Very high	84 Å²	84	104.3 Å²	104.3	51%	0.509	56%	0.555	S	S	.	*	H	α-helix	trans	-68.8	-42.6	179.2	-179.3	0	0	0	0	110.7	K243 S244 G250	K243-V246 HydrophobicContact CB-CG2 4.32Å; K243-V246 PolarHBondContact O-N 3.08Å; S244-V246 VanDerWaalsContact C-N 3.33Å; S244-V246 PolarHBondContact O-N 3.01Å; V246-G250 PolarHBondContact O-N 3.21Å; V246-G250 VanDerWaalsContact O-N 3.07Å
247	C	97.1	Very high	97	Very high	63 Å²	63	106.6 Å²	106.6	43%	0.426	56%	0.561	S	S	.	*	H	α-helix	trans	-62.2	-48.5	176.9	-64.8	0	0	0	0	112.3	V242 K243 S244 G250 F251	V242-C247 WeakPolarHBondContact CG2-SG 3.16Å; K243-C247 PolarHBondContact O-N 3.07Å; K243-C247 VanDerWaalsContact O-N 3.16Å; S244-C247 PolarHBondContact O-N 3.37Å; C247-G250 PolarHBondContact O-N 2.93Å; C247-F251 PolarHBondContact O-N 3.3Å
248	L	97.9	Very high	97	Very high	110 Å²	110	101.4 Å²	101.4	58%	0.576	53%	0.532	S	S	*	.	H	α-helix	trans	-68.4	-40.8	-176.2	-69.3	172.5	0	0	0	111	S244 G250 F251 V252	S244-L248 VanDerWaalsContact O-CB 3.32Å; S244-L248 WeakPolarHBondContact O-CB 3.41Å; S244-L248 WeakPolarHBondContact O-CG 3.32Å; S244-L248 PolarHBondContact O-N 3.29Å; L248-G250 VanDerWaalsContact C-N 3.31Å; L248-G250 PolarHBondContact O-N 3.2Å; L248-F251 PolarHBondContact O-N 3.07Å; L248-V252 WeakPolarHBondContact O-CG2 3.43Å; L248-V252 PolarHBondContact O-N 3.44Å
249	E	98.1	Very high	97	Very high	106 Å²	106	102.6 Å²	102.6	50%	0.495	52%	0.52	S	S	.	.	H	α-helix	trans	-59.9	-43.1	173.3	-173.4	-175.5	170.7	0	0	111.3	S245 F251 V252 K253	S245-E249 VanDerWaalsContact O-CB 3.25Å; S245-E249 WeakPolarHBondContact O-CB 3.41Å; S245-E249 PolarHBondContact O-N 3.21Å; E249-F251 PolarHBondContact O-N 3.02Å; E249-V252 PolarHBondContact O-N 3.2Å; E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.49Å; E249-K253 WeakPolarHBondContact O-CG 3.32Å; E249-K253 PolarHBondContact O-N 2.94Å; E249-K253 VanDerWaalsContact OE1-CE 3.26Å; E249-K253 WeakPolarHBondContact OE1-CE 3.41Å; E249-K253 IonicContact OE1-NZ 3.11Å; E249-K253 PolarHBondContact OE1-NZ 3.41Å
250	G	97.2	Very high	96.9	Very high	40 Å²	40	99.4 Å²	99.4	41%	0.412	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-41.7	174.1	0	0	0	0	0	113.1	V246 C247 L248 Y254	V246-G250 PolarHBondContact O-N 3.21Å; V246-G250 VanDerWaalsContact O-N 3.07Å; C247-G250 PolarHBondContact O-N 2.93Å; L248-G250 VanDerWaalsContact C-N 3.31Å; L248-G250 PolarHBondContact O-N 3.2Å; G250-Y254 WeakPolarHBondContact O-CB 3.35Å; G250-Y254 PolarHBondContact O-N 3.2Å
251	F	97.4	Very high	96.8	Very high	139 Å²	139	92.8 Å²	92.8	61%	0.61	48%	0.48	S	S	*	.	H	α-helix	trans	-66.3	-41.5	177.9	-176.6	-95.2	0	0	0	112.6	C247 L248 E249 Y254 S255	C247-F251 PolarHBondContact O-N 3.3Å; L248-F251 PolarHBondContact O-N 3.07Å; E249-F251 PolarHBondContact O-N 3.02Å; F251-Y254 PolarHBondContact O-N 2.87Å; F251-S255 WeakPolarHBondContact O-CB 2.89Å; F251-S255 PolarHBondContact O-N 3.46Å; F251-S255 PolarHBondContact O-OG 3.28Å
252	V	97.9	Very high	96.8	Very high	72 Å²	72	87.7 Å²	87.7	44%	0.436	47%	0.465	S	S	.	.	H	α-helix	trans	-63.6	-50.3	175.9	171.5	0	0	0	0	110.1	L248 E249 Y254 S255 E256	L248-V252 WeakPolarHBondContact O-CG2 3.43Å; L248-V252 PolarHBondContact O-N 3.44Å; E249-V252 PolarHBondContact O-N 3.2Å; V252-Y254 VanDerWaalsContact C-N 3.29Å; V252-Y254 PolarHBondContact O-N 3.43Å; V252-S255 PolarHBondContact O-N 3.02Å; V252-E256 HydrophobicContact CG1-CG 4.27Å; V252-E256 WeakPolarHBondContact CG1-OE1 3.4Å; V252-E256 WeakPolarHBondContact O-CG 3.32Å; V252-E256 PolarHBondContact O-N 3.39Å
253	K	97.6	Very high	96.6	Very high	115 Å²	115	84.6 Å²	84.6	50%	0.5	45%	0.447	S	S	.	.	H	α-helix	trans	-57.5	-41.7	177	-73.9	177.2	-176.1	172.2	0	112.3	E249 Q257	E249-K253 HydrophobicContact CG-CD 4.34Å; E249-K253 WeakPolarHBondContact O-CB 3.49Å; E249-K253 WeakPolarHBondContact O-CG 3.32Å; E249-K253 PolarHBondContact O-N 2.94Å; E249-K253 VanDerWaalsContact OE1-CE 3.26Å; E249-K253 WeakPolarHBondContact OE1-CE 3.41Å; E249-K253 IonicContact OE1-NZ 3.11Å; E249-K253 PolarHBondContact OE1-NZ 3.41Å; K253-Q257 WeakPolarHBondContact O-CB 3Å; K253-Q257 PolarHBondContact O-N 3.3Å
254	Y	97.3	Very high	96.5	Very high	116 Å²	116	84.1 Å²	84.1	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-62.1	-47.9	174.2	-177.7	-89.7	0	0	0	110.9	G250 F251 V252 E256 Q257 Y258	G250-Y254 WeakPolarHBondContact O-CB 3.35Å; G250-Y254 PolarHBondContact O-N 3.2Å; F251-Y254 PolarHBondContact O-N 2.87Å; V252-Y254 VanDerWaalsContact C-N 3.29Å; V252-Y254 PolarHBondContact O-N 3.43Å; Y254-E256 PolarHBondContact O-N 2.9Å; Y254-Q257 PolarHBondContact O-N 3.18Å; Y254-Y258 HydrophobicContact CD1-CD2 4.34Å; Y254-Y258 AromaticContact CD2-CD2 3.97Å; Y254-Y258 HydrophobicContact CD2-CD2 3.97Å; Y254-Y258 AromaticContact CD2-CE2 3.53Å; Y254-Y258 HydrophobicContact CD2-CE2 3.53Å; Y254-Y258 HydrophobicContact CE1-CD2 4.18Å; Y254-Y258 HydrophobicContact CE1-CE2 4.39Å; Y254-Y258 HydrophobicContact CE1-CG 4.46Å; Y254-Y258 AromaticContact CE2-CD2 3.8Å; Y254-Y258 HydrophobicContact CE2-CD2 3.8Å; Y254-Y258 HydrophobicContact CE2-CE1 4.38Å; Y254-Y258 AromaticContact CE2-CE2 3.21Å; Y254-Y258 HydrophobicContact CE2-CE2 3.21Å; Y254-Y258 AromaticContact CE2-CZ 3.54Å; Y254-Y258 HydrophobicContact CG-CD2 4.23Å; Y254-Y258 HydrophobicContact CG-CE2 4.25Å; Y254-Y258 AromaticContact CZ-CD2 3.89Å; Y254-Y258 AromaticContact CZ-CE2 3.69Å; Y254-Y258 AromaticContact CZ-CZ 3.87Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.27Å; Y254-Y258 PolarHBondContact O-N 2.94Å; Y254-Y258 VanDerWaalsContact O-N 3.15Å
255	S	97.1	Very high	96.2	Very high	50 Å²	50	86 Å²	86	35%	0.35	45%	0.451	S	S	.	.	H	α-helix	trans	-62.7	-42.4	-179.2	-56	0	0	0	0	112.4	F251 V252 Y258 Q259	F251-S255 WeakPolarHBondContact O-CB 2.89Å; F251-S255 PolarHBondContact O-N 3.46Å; F251-S255 PolarHBondContact O-OG 3.28Å; V252-S255 PolarHBondContact O-N 3.02Å; S255-Y258 PolarHBondContact O-N 3.1Å; S255-Q259 PolarHBondContact O-N 3.24Å; S255-Q259 VanDerWaalsContact O-N 3.09Å
256	E	96.3	Very high	96	Very high	121 Å²	121	87.2 Å²	87.2	57%	0.565	45%	0.448	S	S	*	.	H	α-helix	trans	-64.1	-43.4	176.2	-71	173.7	167.1	0	0	111.8	V252 Y254 Y258 Q259	V252-E256 HydrophobicContact CG1-CG 4.27Å; V252-E256 WeakPolarHBondContact CG1-OE1 3.4Å; V252-E256 WeakPolarHBondContact O-CG 3.32Å; V252-E256 PolarHBondContact O-N 3.39Å; Y254-E256 PolarHBondContact O-N 2.9Å; E256-Y258 VanDerWaalsContact C-N 3.3Å; E256-Y258 PolarHBondContact O-N 3.28Å; E256-Q259 WeakPolarHBondContact O-CB 3.46Å; E256-Q259 PolarHBondContact O-N 2.65Å
257	Q	96.6	Very high	95.6	Very high	79 Å²	79	84.8 Å²	84.8	37%	0.369	44%	0.441	S	S	.	.	H	α-helix	trans	-61.8	-36.7	180	-179.1	173.5	35.3	0	0	112.5	K253 Y254 F302	K253-Q257 WeakPolarHBondContact O-CB 3Å; K253-Q257 PolarHBondContact O-N 3.3Å; Y254-Q257 PolarHBondContact O-N 3.18Å; Q257-F302 HydrophobicContact CG-CB 4.42Å; Q257-F302 HydrophobicContact CG-CD1 3.92Å; Q257-F302 HydrophobicContact CG-CD2 3.73Å; Q257-F302 HydrophobicContact CG-CE1 3.97Å; Q257-F302 HydrophobicContact CG-CE2 3.77Å; Q257-F302 HydrophobicContact CG-CG 3.78Å; Q257-F302 HydrophobicContact CG-CZ 3.86Å; Q257-F302 VanDerWaalsContact NE2-CD1 3.32Å; Q257-F302 WeakPolarHBondContact O-CE2 3.3Å; Q257-F302 VanDerWaalsContact O-CZ 3.26Å; Q257-F302 WeakPolarHBondContact O-CZ 3.11Å
258	Y	96.4	Very high	95.4	Very high	27 Å²	27	82.8 Å²	82.8	11%	0.106	43%	0.427	C	S	.	.	H	α-helix	trans	-96.2	1.1	-177.9	-71.5	-106.3	0	0	0	113.3	Y254 S255 E256 N260 H261 D262 F302 E306	Y254-Y258 HydrophobicContact CD1-CD2 4.34Å; Y254-Y258 AromaticContact CD2-CD2 3.97Å; Y254-Y258 HydrophobicContact CD2-CD2 3.97Å; Y254-Y258 AromaticContact CD2-CE2 3.53Å; Y254-Y258 HydrophobicContact CD2-CE2 3.53Å; Y254-Y258 HydrophobicContact CE1-CD2 4.18Å; Y254-Y258 HydrophobicContact CE1-CE2 4.39Å; Y254-Y258 HydrophobicContact CE1-CG 4.46Å; Y254-Y258 AromaticContact CE2-CD2 3.8Å; Y254-Y258 HydrophobicContact CE2-CD2 3.8Å; Y254-Y258 HydrophobicContact CE2-CE1 4.38Å; Y254-Y258 AromaticContact CE2-CE2 3.21Å; Y254-Y258 HydrophobicContact CE2-CE2 3.21Å; Y254-Y258 AromaticContact CE2-CZ 3.54Å; Y254-Y258 HydrophobicContact CG-CD2 4.23Å; Y254-Y258 HydrophobicContact CG-CE2 4.25Å; Y254-Y258 AromaticContact CZ-CD2 3.89Å; Y254-Y258 AromaticContact CZ-CE2 3.69Å; Y254-Y258 AromaticContact CZ-CZ 3.87Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.27Å; Y254-Y258 PolarHBondContact O-N 2.94Å; Y254-Y258 VanDerWaalsContact O-N 3.15Å; S255-Y258 PolarHBondContact O-N 3.1Å; E256-Y258 VanDerWaalsContact C-N 3.3Å; E256-Y258 PolarHBondContact O-N 3.28Å; Y258-N260 VanDerWaalsContact C-N 3.29Å; Y258-N260 PolarHBondContact O-N 3.15Å; Y258-H261 WeakPolarHBondContact O-CA 3.4Å; Y258-H261 WeakPolarHBondContact O-CB 3.34Å; Y258-H261 PolarHBondContact O-N 3.47Å; Y258-D262 PolarHBondContact O-N 2.84Å; Y258-F302 HydrophobicContact CD1-CD2 4.16Å; Y258-F302 HydrophobicContact CD1-CE2 4.36Å; Y258-F302 HydrophobicContact CD2-CD2 4.12Å; Y258-F302 HydrophobicContact CD2-CE2 4.41Å; Y258-F302 AromaticContact CE1-CD2 3.83Å; Y258-F302 HydrophobicContact CE1-CD2 3.83Å; Y258-F302 HydrophobicContact CE1-CE2 4.47Å; Y258-F302 HydrophobicContact CE2-CB 4.39Å; Y258-F302 AromaticContact CE2-CD2 3.8Å; Y258-F302 HydrophobicContact CE2-CD2 3.8Å; Y258-F302 HydrophobicContact CG-CD2 4.31Å; Y258-F302 HydrophobicContact CG-CE2 4.35Å; Y258-F302 AromaticContact CZ-CD2 3.66Å; Y258-E306 HydrophobicContact CE1-CG 4.41Å; Y258-E306 WeakPolarHBondContact CE1-OE1 3.4Å; Y258-E306 VanDerWaalsContact OH-CG 3.22Å; Y258-E306 WeakPolarHBondContact OH-CG 3.29Å; Y258-E306 PolarHBondContact OH-OE1 3.49Å; Y258-E306 VanDerWaalsContact OH-OE1 3.13Å
259	Q	95.2	Very high	95.2	Very high	89 Å²	89	80.9 Å²	80.9	42%	0.416	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-57.2	-42.4	-175.8	-172.6	-177.9	16.5	0	0	112.3	S255 E256 H261 D262 Q266	S255-Q259 PolarHBondContact O-N 3.24Å; S255-Q259 VanDerWaalsContact O-N 3.09Å; E256-Q259 WeakPolarHBondContact O-CB 3.46Å; E256-Q259 PolarHBondContact O-N 2.65Å; Q259-H261 PolarHBondContact O-N 3.02Å; Q259-D262 PolarHBondContact O-N 3.26Å; Q259-Q266 HydrophobicContact CG-CG 4.21Å; Q259-Q266 WeakPolarHBondContact O-CG 3.32Å
260	N	93.1	Very high	95	Very high	103 Å²	103	76.3 Å²	76.3	55%	0.551	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-71.1	-11.8	178.5	-66.4	-25.9	0	0	0	113.5	Y258	Y258-N260 VanDerWaalsContact C-N 3.29Å; Y258-N260 PolarHBondContact O-N 3.15Å
261	H	94.2	Very high	94.8	Very high	29 Å²	29	75.3 Å²	75.3	13%	0.134	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-99.3	-2.9	179	-62.2	67.1	0	0	0	112.6	Y258 Q259 P263 L295 F302	Y258-H261 WeakPolarHBondContact O-CA 3.4Å; Y258-H261 WeakPolarHBondContact O-CB 3.34Å; Y258-H261 PolarHBondContact O-N 3.47Å; Q259-H261 PolarHBondContact O-N 3.02Å; H261-P263 VanDerWaalsContact O-CD 3.28Å; H261-P263 WeakPolarHBondContact O-CD 3.44Å; H261-L295 PolarHBondContact NE2-O 2.86Å; H261-F302 AromaticContact CE1-CE2 3.42Å; H261-F302 VanDerWaalsContact CE1-CE2 3.42Å; H261-F302 WeakPolarHBondContact CE1-CE2 3.45Å; H261-F302 AromaticContact CE1-CZ 3.31Å; H261-F302 WeakPolarHBondContact CE1-CZ 3.39Å; H261-F302 AromaticContact ND1-CE2 3.66Å; H261-F302 AromaticContact ND1-CZ 3.87Å; H261-F302 AromaticContact NE2-CE2 3.92Å
262	D	95.2	Very high	94.6	Very high	61 Å²	61	70.2 Å²	70.2	33%	0.326	36%	0.362	S	S	.	.			trans	-90.8	108.3	178.2	-171.9	-29.5	0	0	0	111.1	Y258 Q259 I264 M265 Q266	Y258-D262 PolarHBondContact O-N 2.84Å; Q259-D262 PolarHBondContact O-N 3.26Å; D262-I264 PolarHBondContact O-N 3.4Å; D262-I264 WeakPolarHBondContact OD1-CA 3.24Å; D262-I264 VanDerWaalsContact OD1-CB 3.25Å; D262-I264 WeakPolarHBondContact OD1-CB 3.44Å; D262-I264 PolarHBondContact OD1-N 2.91Å; D262-M265 HydrophobicContact CB-CB 4.17Å; D262-M265 HydrophobicContact CB-CG 4.26Å; D262-M265 PolarHBondContact O-N 3.17Å; D262-M265 PolarHBondContact OD1-N 3.45Å; D262-M265 WeakPolarHBondContact OD2-CG 3.21Å; D262-Q266 PolarHBondContact O-N 3.41Å
263	P	92.7	Very high	94.5	Very high	43 Å²	43	67.1 Å²	67.1	28%	0.279	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15	-179	-18.7	34.5	0	0	0	114.5	H261 G267 C268	H261-P263 VanDerWaalsContact O-CD 3.28Å; H261-P263 WeakPolarHBondContact O-CD 3.44Å; P263-G267 VanDerWaalsContact O-CA 3.26Å; P263-G267 WeakPolarHBondContact O-CA 3.25Å; P263-G267 PolarHBondContact O-N 3.26Å; P263-C268 HydrophobicContact CB-CB 4.07Å; P263-C268 HydrophobicContact CG-CB 4.43Å
264	I	95	Very high	94.4	Very high	152 Å²	152	71.1 Å²	71.1	78%	0.779	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-40.4	176.1	-58.7	175.9	0	0	0	109.5	D262	D262-I264 PolarHBondContact O-N 3.4Å; D262-I264 WeakPolarHBondContact OD1-CA 3.24Å; D262-I264 VanDerWaalsContact OD1-CB 3.25Å; D262-I264 WeakPolarHBondContact OD1-CB 3.44Å; D262-I264 PolarHBondContact OD1-N 2.91Å
265	M	93.1	Very high	94.2	Very high	128 Å²	128	71.8 Å²	71.8	63%	0.631	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-46.1	-174.5	-61.4	-62.7	-71.3	0	0	113	D262	D262-M265 HydrophobicContact CB-CB 4.17Å; D262-M265 HydrophobicContact CB-CG 4.26Å; D262-M265 PolarHBondContact O-N 3.17Å; D262-M265 PolarHBondContact OD1-N 3.45Å; D262-M265 WeakPolarHBondContact OD2-CG 3.21Å
266	Q	92.1	Very high	94	Very high	104 Å²	104	71.8 Å²	71.8	49%	0.486	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-4.5	-175	-65.1	-63.4	-16.5	0	0	113.4	Q259 D262	Q259-Q266 HydrophobicContact CG-CG 4.21Å; Q259-Q266 WeakPolarHBondContact O-CG 3.32Å; D262-Q266 PolarHBondContact O-N 3.41Å
267	G	91.2	Very high	93.9	Very high	34 Å²	34	71.4 Å²	71.4	35%	0.351	37%	0.368	S	S	.	.			trans	71.9	-174.7	-169.4	0	0	0	0	0	111.8	P263	P263-G267 VanDerWaalsContact O-CA 3.26Å; P263-G267 WeakPolarHBondContact O-CA 3.25Å; P263-G267 PolarHBondContact O-N 3.26Å
268	C	92.7	Very high	93.7	Very high	21 Å²	21	70.1 Å²	70.1	14%	0.142	36%	0.363	C	S	.	.			trans	-144.7	154.1	175.7	61.1	0	0	0	0	111.4	P263 S271 N272 Y281	P263-C268 HydrophobicContact CB-CB 4.07Å; P263-C268 HydrophobicContact CG-CB 4.43Å; C268-S271 CarbonylContact O-C 3.48Å; C268-S271 VanDerWaalsContact O-CA 3.26Å; C268-S271 WeakPolarHBondContact O-CA 3.06Å; C268-S271 PolarHBondContact O-N 3Å; C268-S271 PolarHBondContact SG-O 3.42Å; C268-N272 WeakPolarHBondContact SG-CA 3.41Å; C268-Y281 HydrophobicContact CB-CD2 3.85Å; C268-Y281 HydrophobicContact CB-CE2 3.49Å; C268-Y281 VanDerWaalsContact CB-CE2 3.49Å
269	L	92.6	Very high	93.7	Very high	70 Å²	70	73.7 Å²	73.7	37%	0.366	38%	0.383	S	S	.	.	S	Bend	trans	-104.2	136.3	-178.5	-60.6	179.2	0	0	0	110.6	Y281 P424 E426	L269-Y281 VanDerWaalsContact O-CD2 3.28Å; L269-Y281 WeakPolarHBondContact O-CD2 3.42Å; L269-P424 HydrophobicContact CB-CB 4.02Å; L269-P424 WeakPolarHBondContact CD1-O 3.47Å; L269-E426 HydrophobicContact CD2-CB 4.37Å; L269-E426 HydrophobicContact CD2-CG 3.27Å
270	P	93.3	Very high	93.7	Very high	10 Å²	10	70.5 Å²	70.5	7%	0.065	37%	0.372	C	S	.	.	S	Bend	cis	-80.2	-24.2	10.3	29.4	-35.1	0	0	0	115	A280 M284 Q425 T427	P270-A280 HydrophobicContact CG-CB 3.74Å; P270-M284 HydrophobicContact CG-CE 4.46Å; P270-Q425 WeakPolarHBondContact CB-O 3.21Å; P270-T427 HydrophobicContact CB-CG2 3.82Å; P270-T427 PolarHBondContact O-N 3.29Å; P270-T427 PolarHBondContact O-OG1 3.39Å; P270-T427 VanDerWaalsContact O-OG1 3.11Å
271	S	93.8	Very high	93.7	Very high	18 Å²	18	67.9 Å²	67.9	13%	0.126	36%	0.355	C	S	.	.			trans	-165.1	165.4	172.5	62.6	0	0	0	0	109.7	C268 P273 S276	C268-S271 CarbonylContact O-C 3.48Å; C268-S271 VanDerWaalsContact O-CA 3.26Å; C268-S271 WeakPolarHBondContact O-CA 3.06Å; C268-S271 PolarHBondContact O-N 3Å; C268-S271 PolarHBondContact SG-O 3.42Å; S271-P273 WeakPolarHBondContact O-CD 3.27Å; S271-S276 WeakPolarHBondContact CB-OG 3.29Å; S271-S276 VanDerWaalsContact OG-CB 3.31Å; S271-S276 WeakPolarHBondContact OG-CB 3.16Å; S271-S276 PolarHBondContact OG-OG 3.41Å
272	N	94.3	Very high	93.8	Very high	33 Å²	33	72 Å²	72	18%	0.176	37%	0.369	C	S	.	.			trans	-79.3	116.5	174.1	-174.7	-30.1	0	0	0	110.3	C268 W274 I275 S276	C268-N272 WeakPolarHBondContact SG-CA 3.41Å; N272-W274 PolarHBondContact O-N 3.43Å; N272-W274 VanDerWaalsContact O-N 3.08Å; N272-W274 WeakPolarHBondContact OD1-CB 3.47Å; N272-W274 VanDerWaalsContact OD1-CD1 3.24Å; N272-W274 PolarHBondContact OD1-N 3.31Å; N272-I275 HydrophobicContact CB-CB 4.41Å; N272-I275 HydrophobicContact CB-CD1 4.04Å; N272-I275 HydrophobicContact CB-CG1 4.18Å; N272-I275 PolarHBondContact O-N 2.8Å; N272-S276 PolarHBondContact O-N 2.88Å; N272-S276 PolarHBondContact O-OG 2.91Å
273	P	95.3	Very high	93.8	Very high	7 Å²	7	73.2 Å²	73.2	5%	0.045	38%	0.379	C	S	.	.	H	α-helix	trans	-56.8	-30.1	-175.7	-27.2	36.2	0	0	0	114.1	S271 I275 D277 D278 Y281 W282	S271-P273 WeakPolarHBondContact O-CD 3.27Å; P273-I275 PolarHBondContact O-N 2.88Å; P273-D277 WeakPolarHBondContact O-CA 3.1Å; P273-D277 PolarHBondContact O-N 2.83Å; P273-D278 WeakPolarHBondContact CA-O 3.31Å; P273-D278 WeakPolarHBondContact CB-O 3.35Å; P273-D278 WeakPolarHBondContact CG-O 3.16Å; P273-Y281 HydrophobicContact CG-CD1 4.14Å; P273-Y281 HydrophobicContact CG-CG 4.42Å; P273-W282 HydrophobicContact CB-CD2 4.11Å; P273-W282 HydrophobicContact CB-CE3 4.34Å; P273-W282 HydrophobicContact CB-CH2 3.99Å; P273-W282 HydrophobicContact CB-CZ2 3.72Å; P273-W282 HydrophobicContact CB-CZ3 4.29Å; P273-W282 HydrophobicContact CG-CD2 3.99Å; P273-W282 HydrophobicContact CG-CG 4.19Å; P273-W282 HydrophobicContact CG-CZ2 4.19Å
274	W	95	Very high	93.8	Very high	199 Å²	199	74.4 Å²	74.4	75%	0.754	38%	0.382	S	S	*	.	H	α-helix	trans	-72.1	-12	178.3	-57	109.3	0	0	0	113.9	N272 W282	N272-W274 PolarHBondContact O-N 3.43Å; N272-W274 VanDerWaalsContact O-N 3.08Å; N272-W274 WeakPolarHBondContact OD1-CB 3.47Å; N272-W274 VanDerWaalsContact OD1-CD1 3.24Å; N272-W274 PolarHBondContact OD1-N 3.31Å; W274-W282 HydrophobicContact CD2-CZ2 4.32Å; W274-W282 AromaticContact CE2-CZ2 3.72Å; W274-W282 HydrophobicContact CH2-CH2 4.24Å; W274-W282 HydrophobicContact CH2-CZ2 4.28Å; W274-W282 HydrophobicContact CZ2-CH2 4.14Å; W274-W282 AromaticContact CZ2-CZ2 3.71Å; W274-W282 HydrophobicContact CZ2-CZ2 3.71Å; W274-W282 AromaticContact NE1-CZ2 3.95Å
275	I	93.9	Very high	93.8	Very high	130 Å²	130	69.4 Å²	69.4	67%	0.667	36%	0.357	S	S	*	.	H	α-helix	trans	-111.8	-41.1	-178.4	-57.2	178.7	0	0	0	110.5	N272 P273	N272-I275 HydrophobicContact CB-CB 4.41Å; N272-I275 HydrophobicContact CB-CD1 4.04Å; N272-I275 HydrophobicContact CB-CG1 4.18Å; N272-I275 PolarHBondContact O-N 2.8Å; P273-I275 PolarHBondContact O-N 2.88Å
276	S	93.1	Very high	93.9	Very high	49 Å²	49	65.7 Å²	65.7	34%	0.343	34%	0.343	S	S	.	.	H	α-helix	trans	-96.4	-12.6	-173.9	57.6	0	0	0	0	114.6	S271 N272 D278	S271-S276 WeakPolarHBondContact CB-OG 3.29Å; S271-S276 VanDerWaalsContact OG-CB 3.31Å; S271-S276 WeakPolarHBondContact OG-CB 3.16Å; S271-S276 PolarHBondContact OG-OG 3.41Å; N272-S276 PolarHBondContact O-N 2.88Å; N272-S276 PolarHBondContact O-OG 2.91Å; S276-D278 PolarHBondContact O-N 3.4Å; S276-D278 VanDerWaalsContact O-N 3.16Å; S276-D278 PolarHBondContact OG-N 3.3Å
277	D	93.3	Very high	94	Very high	114 Å²	114	67 Å²	67	61%	0.61	35%	0.349	S	S	*	.			trans	58.3	14.7	-168.1	-51.2	-44.5	0	0	0	113.5	P273 R437	P273-D277 WeakPolarHBondContact O-CA 3.1Å; P273-D277 PolarHBondContact O-N 2.83Å; D277-R437 IonicContact OD2-CZ 2.82Å; D277-R437 IonicContact OD2-NH1 3.74Å; D277-R437 PolarHBondContact OD2-NH1 3.48Å
278	D	92.9	Very high	94.1	Very high	52 Å²	52	71 Å²	71	28%	0.278	36%	0.361	S	S	.	.			trans	-96	114.7	176.2	176.7	14.1	0	0	0	110.9	P273 S276 A280	P273-D278 WeakPolarHBondContact CA-O 3.31Å; P273-D278 WeakPolarHBondContact CB-O 3.35Å; P273-D278 WeakPolarHBondContact CG-O 3.16Å; S276-D278 PolarHBondContact O-N 3.4Å; S276-D278 VanDerWaalsContact O-N 3.16Å; S276-D278 PolarHBondContact OG-N 3.3Å; D278-A280 VanDerWaalsContact C-N 3.26Å; D278-A280 PolarHBondContact O-N 3.41Å; D278-A280 WeakPolarHBondContact OD1-CB 3.48Å; D278-A280 PolarHBondContact OD1-N 3.5Å
279	I	95.6	Very high	94.2	Very high	101 Å²	101	70.5 Å²	70.5	52%	0.518	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.2	-178.9	65	168.1	0	0	0	113.9	Y281 W282 T283	I279-Y281 VanDerWaalsContact C-N 3.26Å; I279-Y281 PolarHBondContact O-N 2.94Å; I279-W282 HydrophobicContact CB-CE3 4.09Å; I279-W282 HydrophobicContact CG2-CE3 3.8Å; I279-W282 HydrophobicContact CG2-CZ3 3.9Å; I279-W282 PolarHBondContact O-N 3.49Å; I279-W282 VanDerWaalsContact O-N 3.1Å; I279-T283 PolarHBondContact O-N 2.87Å; I279-T283 PolarHBondContact O-OG1 3.41Å
280	A	94.5	Very high	94.1	Very high	22 Å²	22	73.4 Å²	73.4	18%	0.182	38%	0.381	C	S	.	.	H	α-helix	trans	-56.1	-38.8	-179.8	0	0	0	0	0	112.5	P270 D278 W282 T283 M284	P270-A280 HydrophobicContact CG-CB 3.74Å; D278-A280 VanDerWaalsContact C-N 3.26Å; D278-A280 PolarHBondContact O-N 3.41Å; D278-A280 WeakPolarHBondContact OD1-CB 3.48Å; D278-A280 PolarHBondContact OD1-N 3.5Å; A280-W282 PolarHBondContact O-N 3.15Å; A280-T283 PolarHBondContact O-N 2.97Å; A280-M284 HydrophobicContact CB-CE 4.34Å; A280-M284 WeakPolarHBondContact O-CB 3.33Å; A280-M284 VanDerWaalsContact O-CG 3.25Å; A280-M284 WeakPolarHBondContact O-CG 3.36Å; A280-M284 PolarHBondContact O-N 3.01Å
281	Y	94.4	Very high	94.1	Very high	48 Å²	48	76 Å²	76	19%	0.188	40%	0.396	C	S	.	.	H	α-helix	trans	-58.1	-44.8	175.7	175.8	-102.9	0	0	0	112.5	C268 L269 P273 I279 N285	C268-Y281 HydrophobicContact CB-CD2 3.85Å; C268-Y281 HydrophobicContact CB-CE2 3.49Å; C268-Y281 VanDerWaalsContact CB-CE2 3.49Å; L269-Y281 VanDerWaalsContact O-CD2 3.28Å; L269-Y281 WeakPolarHBondContact O-CD2 3.42Å; P273-Y281 HydrophobicContact CG-CD1 4.14Å; P273-Y281 HydrophobicContact CG-CG 4.42Å; I279-Y281 VanDerWaalsContact C-N 3.26Å; I279-Y281 PolarHBondContact O-N 2.94Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.12Å; Y281-N285 PolarHBondContact O-N 3.41Å; Y281-N285 PolarHBondContact O-ND2 3.5Å
282	W	95.6	Very high	94.3	Very high	115 Å²	115	75.1 Å²	75.1	44%	0.436	39%	0.39	S	S	.	.	H	α-helix	trans	-68.3	-41.4	177.7	-65.9	-27.4	0	0	0	111.8	P273 W274 I279 A280 M284 N285 S286	P273-W282 HydrophobicContact CB-CD2 4.11Å; P273-W282 HydrophobicContact CB-CE3 4.34Å; P273-W282 HydrophobicContact CB-CH2 3.99Å; P273-W282 HydrophobicContact CB-CZ2 3.72Å; P273-W282 HydrophobicContact CB-CZ3 4.29Å; P273-W282 HydrophobicContact CG-CD2 3.99Å; P273-W282 HydrophobicContact CG-CG 4.19Å; P273-W282 HydrophobicContact CG-CZ2 4.19Å; W274-W282 HydrophobicContact CD2-CZ2 4.32Å; W274-W282 AromaticContact CE2-CZ2 3.72Å; W274-W282 HydrophobicContact CH2-CH2 4.24Å; W274-W282 HydrophobicContact CH2-CZ2 4.28Å; W274-W282 HydrophobicContact CZ2-CH2 4.14Å; W274-W282 AromaticContact CZ2-CZ2 3.71Å; W274-W282 HydrophobicContact CZ2-CZ2 3.71Å; W274-W282 AromaticContact NE1-CZ2 3.95Å; I279-W282 HydrophobicContact CB-CE3 4.09Å; I279-W282 HydrophobicContact CG2-CE3 3.8Å; I279-W282 HydrophobicContact CG2-CZ3 3.9Å; I279-W282 PolarHBondContact O-N 3.49Å; I279-W282 VanDerWaalsContact O-N 3.1Å; A280-W282 PolarHBondContact O-N 3.15Å; W282-M284 PolarHBondContact O-N 2.89Å; W282-N285 CarbonylContact O-C 3.36Å; W282-N285 PolarHBondContact O-N 3.01Å; W282-S286 PolarHBondContact O-N 2.92Å
283	T	95.1	Very high	94.4	Very high	87 Å²	87	73.9 Å²	73.9	53%	0.534	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-43.8	178.6	-50.8	0	0	0	0	111.2	I279 A280 N285 S286	I279-T283 PolarHBondContact O-N 2.87Å; I279-T283 PolarHBondContact O-OG1 3.41Å; A280-T283 PolarHBondContact O-N 2.97Å; T283-N285 VanDerWaalsContact C-N 3.26Å; T283-N285 PolarHBondContact O-N 3.48Å; T283-S286 PolarHBondContact O-N 3.47Å; T283-S286 PolarHBondContact O-OG 2.68Å
284	M	93.8	Very high	94.4	Very high	69 Å²	69	78.1 Å²	78.1	34%	0.34	40%	0.399	S	S	.	.	H	α-helix	trans	-69.7	-22.1	178.3	-68.5	176.8	-172.4	0	0	113.6	P270 A280 W282 T293 P424	P270-M284 HydrophobicContact CG-CE 4.46Å; A280-M284 HydrophobicContact CB-CE 4.34Å; A280-M284 WeakPolarHBondContact O-CB 3.33Å; A280-M284 VanDerWaalsContact O-CG 3.25Å; A280-M284 WeakPolarHBondContact O-CG 3.36Å; A280-M284 PolarHBondContact O-N 3.01Å; W282-M284 PolarHBondContact O-N 2.89Å; M284-T293 HydrophobicContact CB-CG2 3.99Å; M284-P424 HydrophobicContact SD-CB 3.87Å; M284-P424 HydrophobicContact SD-CG 3.73Å
285	N	94.7	Very high	94.4	Very high	47 Å²	47	71.7 Å²	71.7	25%	0.251	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	21.1	-179.5	-64.6	-72.9	0	0	0	112.6	Y281 W282 T283 T293	Y281-N285 WeakPolarHBondContact CE2-ND2 3.12Å; Y281-N285 PolarHBondContact O-N 3.41Å; Y281-N285 PolarHBondContact O-ND2 3.5Å; W282-N285 CarbonylContact O-C 3.36Å; W282-N285 PolarHBondContact O-N 3.01Å; T283-N285 VanDerWaalsContact C-N 3.26Å; T283-N285 PolarHBondContact O-N 3.48Å; N285-T293 PolarHBondContact OD1-OG1 3.24Å
286	S	95.5	Very high	94.6	Very high	50 Å²	50	66.8 Å²	66.8	35%	0.35	35%	0.352	S	S	.	.	S	Bend	trans	-62.1	157.8	173.1	64.4	0	0	0	0	111.3	W282 T283 I288 V289 R296	W282-S286 PolarHBondContact O-N 2.92Å; T283-S286 PolarHBondContact O-N 3.47Å; T283-S286 PolarHBondContact O-OG 2.68Å; S286-I288 VanDerWaalsContact C-N 3.29Å; S286-I288 PolarHBondContact O-N 2.88Å; S286-I288 PolarHBondContact OG-O 2.96Å; S286-I288 VanDerWaalsContact OG-O 3.05Å; S286-V289 WeakPolarHBondContact OG-CG1 3.27Å; S286-R296 PolarHBondContact O-NH1 3.4Å
287	E	93.6	Very high	94.8	Very high	132 Å²	132	64.4 Å²	64.4	62%	0.617	34%	0.335	S	S	*	.	S	Bend	trans	-52.8	-46.7	-172.3	-175.8	174.2	-169.1	0	0	112.6	R296 A311 M312	E287-R296 PolarHBondContact O-NH2 3.19Å; E287-A311 HydrophobicContact CG-CB 3.52Å; E287-M312 WeakPolarHBondContact O-CG 3.29Å
288	I	93.4	Very high	95	Very high	116 Å²	116	61.8 Å²	61.8	60%	0.595	32%	0.319	S	S	*	.	S	Bend	trans	-115.6	126	173.8	-56.3	175.3	0	0	0	107.9	S286 M312	S286-I288 VanDerWaalsContact C-N 3.29Å; S286-I288 PolarHBondContact O-N 2.88Å; S286-I288 PolarHBondContact OG-O 2.96Å; S286-I288 VanDerWaalsContact OG-O 3.05Å; I288-M312 HydrophobicContact CG2-SD 4.33Å
289	V	94.4	Very high	95.2	Very high	12 Å²	12	63.6 Å²	63.6	7%	0.073	32%	0.322	C	S	.	.			trans	-136.7	152.3	174.9	-71	0	0	0	0	109.4	S286 V291 P292 M312	S286-V289 WeakPolarHBondContact OG-CG1 3.27Å; V289-V291 VanDerWaalsContact C-N 3.31Å; V289-V291 PolarHBondContact O-N 2.84Å; V289-P292 HydrophobicContact CG2-CB 4.23Å; V289-M312 VanDerWaalsContact O-CE 3.26Å; V289-M312 WeakPolarHBondContact O-CE 3.38Å
290	P	91.3	Very high	95.3	Very high	131 Å²	131	58.9 Å²	58.9	85%	0.851	30%	0.298	S	S	*	.	S	Bend	trans	-60.4	-41.5	175.1	-24	34.2	0	0	0	112.5
291	V	93.6	Very high	95.4	Very high	63 Å²	63	60.1 Å²	60.1	38%	0.382	31%	0.305	S	S	.	.	S	Bend	trans	-136.8	118.3	178.4	-172.3	0	0	0	0	108.8	V289 K420 V422	V289-V291 VanDerWaalsContact C-N 3.31Å; V289-V291 PolarHBondContact O-N 2.84Å; V291-K420 VanDerWaalsContact CG1-O 3.27Å; V291-K420 WeakPolarHBondContact CG1-O 3.48Å; V291-V422 HydrophobicContact CB-CG2 4.07Å; V291-V422 HydrophobicContact CG1-CG2 3.77Å
292	P	96.6	Very high	95.6	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.305	C	S	.	.			trans	-70	159.4	177.6	29.8	-34.8	0	0	0	111.9	V289 V297 W300 M417 A421 V422	V289-P292 HydrophobicContact CG2-CB 4.23Å; P292-V297 HydrophobicContact CB-CG2 3.87Å; P292-V297 HydrophobicContact CG-CG2 3.4Å; P292-W300 HydrophobicContact CG-CH2 4.31Å; P292-M417 HydrophobicContact CG-CG 4.48Å; P292-M417 HydrophobicContact CG-SD 3.85Å; P292-A421 WeakPolarHBondContact O-CA 3.45Å; P292-A421 WeakPolarHBondContact O-CB 3.46Å; P292-V422 PolarHBondContact O-N 3.38Å
293	T	96.6	Very high	95.7	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.043	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-68	149.5	170.8	63.2	0	0	0	0	110.5	M284 N285 L295 R296 V297 V422 P424	M284-T293 HydrophobicContact CB-CG2 3.99Å; N285-T293 PolarHBondContact OD1-OG1 3.24Å; T293-L295 VanDerWaalsContact C-N 3.28Å; T293-L295 PolarHBondContact O-N 2.64Å; T293-R296 WeakPolarHBondContact O-CB 3.37Å; T293-R296 PolarHBondContact O-N 3.07Å; T293-R296 VanDerWaalsContact O-N 3.13Å; T293-R296 VanDerWaalsContact OG1-CB 3.25Å; T293-R296 WeakPolarHBondContact OG1-CB 3.45Å; T293-R296 PolarHBondContact OG1-N 3.3Å; T293-V297 PolarHBondContact O-N 2.99Å; T293-V297 VanDerWaalsContact O-N 3.11Å; T293-V422 CarbonylContact C-O 3.5Å; T293-V422 VanDerWaalsContact CA-O 3.3Å; T293-V422 WeakPolarHBondContact CA-O 3.38Å; T293-P424 HydrophobicContact CG2-CG 4.12Å
294	R	96	Very high	95.8	Very high	96 Å²	96	52.2 Å²	52.2	36%	0.362	27%	0.273	S	S	.	.	H	α-helix	trans	-57.1	-44.3	178	-175.2	-178.2	173	95.1	8.7	111.7	R296 V297 E298 L418 A421 V422 V423	R294-R296 VanDerWaalsContact C-N 3.26Å; R294-R296 PolarHBondContact O-N 3.16Å; R294-V297 PolarHBondContact O-N 2.9Å; R294-V297 VanDerWaalsContact O-N 3.15Å; R294-E298 HydrophobicContact CG-CG 4.32Å; R294-E298 IonicContact CZ-OE1 2.68Å; R294-E298 VanDerWaalsContact CZ-OE1 3.24Å; R294-E298 IonicContact NE-OE1 2.64Å; R294-E298 PolarHBondContact NE-OE1 3.47Å; R294-E298 IonicContact NH2-OE1 3.53Å; R294-E298 PolarHBondContact NH2-OE1 2.88Å; R294-E298 WeakPolarHBondContact O-CG 3.06Å; R294-E298 PolarHBondContact O-N 3.22Å; R294-L418 HydrophobicContact CG-CD1 3.99Å; R294-A421 HydrophobicContact CB-CB 4.03Å; R294-V422 PolarHBondContact N-O 3.46Å; R294-V423 HydrophobicContact CB-CG2 3.77Å; R294-V423 HydrophobicContact CG-CG2 4.3Å
295	L	95.4	Very high	96	Very high	64 Å²	64	52.5 Å²	52.5	34%	0.335	27%	0.274	S	S	.	.	H	α-helix	trans	-56.6	-40.4	177.8	-165.6	88.5	0	0	0	112	H261 T293 R299	H261-L295 PolarHBondContact NE2-O 2.86Å; T293-L295 VanDerWaalsContact C-N 3.28Å; T293-L295 PolarHBondContact O-N 2.64Å; L295-R299 WeakPolarHBondContact O-CB 3.31Å; L295-R299 PolarHBondContact O-N 2.81Å; L295-R299 VanDerWaalsContact O-N 3.16Å
296	R	96.8	Very high	96.1	Very high	27 Å²	27	51.6 Å²	51.6	10%	0.102	27%	0.269	C	S	.	.	H	α-helix	trans	-66.7	-44.4	176.6	179.4	178.1	177.2	179.3	1.1	111.9	S286 E287 T293 R294 R299 W300 D310	S286-R296 PolarHBondContact O-NH1 3.4Å; E287-R296 PolarHBondContact O-NH2 3.19Å; T293-R296 WeakPolarHBondContact O-CB 3.37Å; T293-R296 PolarHBondContact O-N 3.07Å; T293-R296 VanDerWaalsContact O-N 3.13Å; T293-R296 VanDerWaalsContact OG1-CB 3.25Å; T293-R296 WeakPolarHBondContact OG1-CB 3.45Å; T293-R296 PolarHBondContact OG1-N 3.3Å; R294-R296 VanDerWaalsContact C-N 3.26Å; R294-R296 PolarHBondContact O-N 3.16Å; R296-R299 WeakPolarHBondContact O-CB 3.24Å; R296-R299 PolarHBondContact O-N 3.18Å; R296-W300 VanDerWaalsContact O-CD1 3.3Å; R296-W300 PolarHBondContact O-NE1 3.27Å; R296-D310 WeakPolarHBondContact CG-OD2 3.49Å; R296-D310 IonicContact CZ-OD1 3.53Å; R296-D310 IonicContact CZ-OD2 3.91Å; R296-D310 IonicContact NE-OD1 2.94Å; R296-D310 PolarHBondContact NE-OD1 3.24Å; R296-D310 IonicContact NE-OD2 3.72Å; R296-D310 PolarHBondContact NE-OD2 3.45Å; R296-D310 IonicContact NH2-OD1 3.11Å; R296-D310 PolarHBondContact NH2-OD1 2.74Å; R296-D310 IonicContact NH2-OD2 2.86Å; R296-D310 PolarHBondContact NH2-OD2 3.02Å
297	V	97.6	Very high	96.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-42.6	178.4	-179.6	0	0	0	0	111.6	P292 T293 R294 R299 W300 Y414 M417 L418 A421	P292-V297 HydrophobicContact CB-CG2 3.87Å; P292-V297 HydrophobicContact CG-CG2 3.4Å; T293-V297 PolarHBondContact O-N 2.99Å; T293-V297 VanDerWaalsContact O-N 3.11Å; R294-V297 PolarHBondContact O-N 2.9Å; R294-V297 VanDerWaalsContact O-N 3.15Å; V297-R299 PolarHBondContact O-N 2.73Å; V297-W300 HydrophobicContact CB-CE3 4.43Å; V297-W300 HydrophobicContact CG1-CE3 3.92Å; V297-W300 HydrophobicContact CG1-CZ3 4.04Å; V297-W300 HydrophobicContact CG2-CH2 4.12Å; V297-W300 HydrophobicContact CG2-CZ2 4.4Å; V297-W300 HydrophobicContact CG2-CZ3 4.2Å; V297-W300 VanDerWaalsContact O-CB 3.31Å; V297-W300 WeakPolarHBondContact O-CB 3.34Å; V297-W300 PolarHBondContact O-N 3.19Å; V297-W300 VanDerWaalsContact O-N 3.13Å; V297-Y414 HydrophobicContact CG1-CD2 4.37Å; V297-Y414 HydrophobicContact CG1-CE2 3.76Å; V297-Y414 PolarHBondContact O-OH 3.3Å; V297-M417 HydrophobicContact CG1-CG 4.13Å; V297-M417 HydrophobicContact CG2-CG 4.08Å; V297-L418 HydrophobicContact CB-CD1 4.24Å; V297-L418 HydrophobicContact CG1-CB 4.12Å; V297-L418 HydrophobicContact CG1-CD1 4.02Å; V297-A421 HydrophobicContact CB-CB 4.46Å; V297-A421 HydrophobicContact CG2-CB 3.93Å
298	E	97.1	Very high	96.4	Very high	58 Å²	58	43 Å²	43	27%	0.271	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-37	176.3	-72.5	176	165.8	0	0	111.6	R294 W300 S301 L418	R294-E298 HydrophobicContact CG-CG 4.32Å; R294-E298 IonicContact CZ-OE1 2.68Å; R294-E298 VanDerWaalsContact CZ-OE1 3.24Å; R294-E298 IonicContact NE-OE1 2.64Å; R294-E298 PolarHBondContact NE-OE1 3.47Å; R294-E298 IonicContact NH2-OE1 3.53Å; R294-E298 PolarHBondContact NH2-OE1 2.88Å; R294-E298 WeakPolarHBondContact O-CG 3.06Å; R294-E298 PolarHBondContact O-N 3.22Å; E298-W300 PolarHBondContact O-N 2.9Å; E298-S301 WeakPolarHBondContact O-CB 3.27Å; E298-S301 PolarHBondContact O-N 3.18Å; E298-S301 PolarHBondContact O-OG 3.2Å; E298-L418 HydrophobicContact CG-CD1 3.54Å
299	R	97.4	Very high	96.6	Very high	91 Å²	91	41 Å²	41	34%	0.343	22%	0.22	S	C	.	.	H	α-helix	trans	-60	-32.5	177.6	-167.7	174.3	165	168.5	5	112.7	L295 R296 V297 S301 F302 E306	L295-R299 WeakPolarHBondContact O-CB 3.31Å; L295-R299 PolarHBondContact O-N 2.81Å; L295-R299 VanDerWaalsContact O-N 3.16Å; R296-R299 WeakPolarHBondContact O-CB 3.24Å; R296-R299 PolarHBondContact O-N 3.18Å; V297-R299 PolarHBondContact O-N 2.73Å; R299-S301 PolarHBondContact O-N 2.66Å; R299-S301 VanDerWaalsContact O-N 3.13Å; R299-F302 HydrophobicContact CG-CD2 3.98Å; R299-F302 HydrophobicContact CG-CE2 4.33Å; R299-F302 VanDerWaalsContact O-CB 3.3Å; R299-F302 WeakPolarHBondContact O-CB 3.45Å; R299-F302 WeakPolarHBondContact O-CG 3.22Å; R299-F302 PolarHBondContact O-N 2.78Å; R299-E306 HydrophobicContact CG-CB 4.5Å; R299-E306 HydrophobicContact CG-CG 4.36Å; R299-E306 IonicContact CZ-OE1 2.72Å; R299-E306 IonicContact CZ-OE2 2.67Å; R299-E306 VanDerWaalsContact CZ-OE2 3.23Å; R299-E306 VanDerWaalsContact NE-CD 3.29Å; R299-E306 IonicContact NE-OE1 3.6Å; R299-E306 IonicContact NE-OE2 3.75Å; R299-E306 PolarHBondContact NE-OE2 3.39Å; R299-E306 IonicContact NH2-OE1 3.45Å; R299-E306 PolarHBondContact NH2-OE1 3.07Å; R299-E306 IonicContact NH2-OE2 2.74Å; R299-E306 PolarHBondContact NH2-OE2 3.33Å; R299-E306 VanDerWaalsContact NH2-OE2 3.11Å; R299-E306 VanDerWaalsContact O-CB 3.31Å; R299-E306 WeakPolarHBondContact O-CB 3.44Å
300	W	98	Very high	96.7	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.8	176.6	-58.5	-16.3	0	0	0	113.2	P292 R296 V297 E298 F302 L307 D310 M312 E316 Y405 Y414 M417	P292-W300 HydrophobicContact CG-CH2 4.31Å; R296-W300 VanDerWaalsContact O-CD1 3.3Å; R296-W300 PolarHBondContact O-NE1 3.27Å; V297-W300 HydrophobicContact CB-CE3 4.43Å; V297-W300 HydrophobicContact CG1-CE3 3.92Å; V297-W300 HydrophobicContact CG1-CZ3 4.04Å; V297-W300 HydrophobicContact CG2-CH2 4.12Å; V297-W300 HydrophobicContact CG2-CZ2 4.4Å; V297-W300 HydrophobicContact CG2-CZ3 4.2Å; V297-W300 VanDerWaalsContact O-CB 3.31Å; V297-W300 WeakPolarHBondContact O-CB 3.34Å; V297-W300 PolarHBondContact O-N 3.19Å; V297-W300 VanDerWaalsContact O-N 3.13Å; E298-W300 PolarHBondContact O-N 2.9Å; W300-F302 VanDerWaalsContact C-N 3.34Å; W300-L307 HydrophobicContact CB-CB 4.18Å; W300-L307 HydrophobicContact CB-CD1 3.79Å; W300-L307 HydrophobicContact CD2-CD1 3.97Å; W300-L307 HydrophobicContact CE3-CD1 4.04Å; W300-L307 HydrophobicContact CG-CD1 3.88Å; W300-D310 PolarHBondContact NE1-OD2 2.93Å; W300-M312 HydrophobicContact CH2-CB 4.19Å; W300-M312 HydrophobicContact CZ2-CB 3.83Å; W300-E316 HydrophobicContact CH2-CG 4.21Å; W300-E316 HydrophobicContact CZ3-CB 4.43Å; W300-E316 HydrophobicContact CZ3-CG 4.23Å; W300-Y405 PolarHBondContact O-OH 3.25Å; W300-Y414 HydrophobicContact CE3-CD2 4.47Å; W300-Y414 HydrophobicContact CE3-CE2 4.31Å; W300-M417 HydrophobicContact CH2-CG 4.32Å; W300-M417 HydrophobicContact CZ3-CG 3.98Å
301	S	97.6	Very high	96.9	Very high	48 Å²	48	36.4 Å²	36.4	34%	0.336	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-15	177.5	74	0	0	0	0	113.8	E298 R299 Y405	E298-S301 WeakPolarHBondContact O-CB 3.27Å; E298-S301 PolarHBondContact O-N 3.18Å; E298-S301 PolarHBondContact O-OG 3.2Å; R299-S301 PolarHBondContact O-N 2.66Å; R299-S301 VanDerWaalsContact O-N 3.13Å; S301-Y405 WeakPolarHBondContact CA-OH 3.44Å; S301-Y405 PolarHBondContact O-OH 3.01Å
302	F	97.2	Very high	97.1	Very high	43 Å²	43	33.5 Å²	33.5	19%	0.189	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-41.1	-174.4	-68.4	-1.3	0	0	0	111.9	Q257 Y258 H261 R299 W300 E306	Q257-F302 HydrophobicContact CG-CB 4.42Å; Q257-F302 HydrophobicContact CG-CD1 3.92Å; Q257-F302 HydrophobicContact CG-CD2 3.73Å; Q257-F302 HydrophobicContact CG-CE1 3.97Å; Q257-F302 HydrophobicContact CG-CE2 3.77Å; Q257-F302 HydrophobicContact CG-CG 3.78Å; Q257-F302 HydrophobicContact CG-CZ 3.86Å; Q257-F302 VanDerWaalsContact NE2-CD1 3.32Å; Q257-F302 WeakPolarHBondContact O-CE2 3.3Å; Q257-F302 VanDerWaalsContact O-CZ 3.26Å; Q257-F302 WeakPolarHBondContact O-CZ 3.11Å; Y258-F302 HydrophobicContact CD1-CD2 4.16Å; Y258-F302 HydrophobicContact CD1-CE2 4.36Å; Y258-F302 HydrophobicContact CD2-CD2 4.12Å; Y258-F302 HydrophobicContact CD2-CE2 4.41Å; Y258-F302 AromaticContact CE1-CD2 3.83Å; Y258-F302 HydrophobicContact CE1-CD2 3.83Å; Y258-F302 HydrophobicContact CE1-CE2 4.47Å; Y258-F302 HydrophobicContact CE2-CB 4.39Å; Y258-F302 AromaticContact CE2-CD2 3.8Å; Y258-F302 HydrophobicContact CE2-CD2 3.8Å; Y258-F302 HydrophobicContact CG-CD2 4.31Å; Y258-F302 HydrophobicContact CG-CE2 4.35Å; Y258-F302 AromaticContact CZ-CD2 3.66Å; H261-F302 AromaticContact CE1-CE2 3.42Å; H261-F302 VanDerWaalsContact CE1-CE2 3.42Å; H261-F302 WeakPolarHBondContact CE1-CE2 3.45Å; H261-F302 AromaticContact CE1-CZ 3.31Å; H261-F302 WeakPolarHBondContact CE1-CZ 3.39Å; H261-F302 AromaticContact ND1-CE2 3.66Å; H261-F302 AromaticContact ND1-CZ 3.87Å; H261-F302 AromaticContact NE2-CE2 3.92Å; R299-F302 HydrophobicContact CG-CD2 3.98Å; R299-F302 HydrophobicContact CG-CE2 4.33Å; R299-F302 VanDerWaalsContact O-CB 3.3Å; R299-F302 WeakPolarHBondContact O-CB 3.45Å; R299-F302 WeakPolarHBondContact O-CG 3.22Å; R299-F302 PolarHBondContact O-N 2.78Å; W300-F302 VanDerWaalsContact C-N 3.34Å; F302-E306 HydrophobicContact CB-CG 4.31Å
303	S	97.3	Very high	97.1	Very high	40 Å²	40	33.5 Å²	33.5	28%	0.28	17%	0.172	S	C	.	.			trans	-157.6	157.4	172.4	82	0	0	0	0	110.8	M305 E306 L307 Y405	S303-M305 PolarHBondContact O-N 3.04Å; S303-M305 PolarHBondContact OG-N 2.96Å; S303-E306 WeakPolarHBondContact O-CB 3.17Å; S303-E306 PolarHBondContact O-N 3.05Å; S303-E306 PolarHBondContact OG-N 3.08Å; S303-L307 PolarHBondContact O-N 3.44Å; S303-Y405 VanDerWaalsContact C-OH 3.22Å; S303-Y405 PolarHBondContact O-OH 3.21Å
304	F	98.3	Very high	97.1	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-31.4	176.1	-174.4	-139	0	0	0	112.7	E306 L307 L308 F317 Y397 M400 K401 Y405	F304-E306 VanDerWaalsContact C-N 3.33Å; F304-E306 PolarHBondContact O-N 3.1Å; F304-L307 HydrophobicContact CD2-CD2 4.25Å; F304-L307 HydrophobicContact CE2-CD2 4.32Å; F304-L307 PolarHBondContact O-N 2.9Å; F304-L308 HydrophobicContact CD1-CD1 4Å; F304-L308 HydrophobicContact CD1-CG 4.48Å; F304-L308 HydrophobicContact CD2-CD1 4.46Å; F304-L308 HydrophobicContact CD2-CG 4.08Å; F304-L308 HydrophobicContact CE1-CD1 3.59Å; F304-L308 HydrophobicContact CE1-CG 4.2Å; F304-L308 HydrophobicContact CE2-CD1 4.08Å; F304-L308 HydrophobicContact CE2-CD2 3.82Å; F304-L308 HydrophobicContact CE2-CG 3.75Å; F304-L308 HydrophobicContact CG-CD1 4.43Å; F304-L308 HydrophobicContact CG-CG 4.44Å; F304-L308 HydrophobicContact CZ-CD1 3.63Å; F304-L308 HydrophobicContact CZ-CD2 3.87Å; F304-L308 HydrophobicContact CZ-CG 3.82Å; F304-L308 WeakPolarHBondContact O-CG 3.34Å; F304-L308 PolarHBondContact O-N 3.15Å; F304-F317 HydrophobicContact CE2-CD1 4.16Å; F304-F317 AromaticContact CE2-CE1 3.55Å; F304-F317 HydrophobicContact CE2-CE1 3.55Å; F304-F317 AromaticContact CE2-CZ 3.85Å; F304-F317 HydrophobicContact CE2-CZ 3.85Å; F304-F317 AromaticContact CZ-CE1 3.81Å; F304-F317 HydrophobicContact CZ-CE1 3.81Å; F304-F317 HydrophobicContact CZ-CZ 4.25Å; F304-Y397 AromaticContact CD1-CD2 3.72Å; F304-Y397 HydrophobicContact CD1-CD2 3.72Å; F304-Y397 AromaticContact CD1-CE2 3.34Å; F304-Y397 HydrophobicContact CD1-CE2 3.34Å; F304-Y397 HydrophobicContact CD1-CG 4.48Å; F304-Y397 AromaticContact CD1-CZ 3.83Å; F304-Y397 AromaticContact CE1-CD2 3.69Å; F304-Y397 HydrophobicContact CE1-CD2 3.69Å; F304-Y397 AromaticContact CE1-CE2 3.82Å; F304-Y397 HydrophobicContact CE1-CE2 3.82Å; F304-Y397 HydrophobicContact CE1-CG 4.4Å; F304-Y397 WeakPolarHBondContact CE1-O 3.42Å; F304-Y397 HydrophobicContact CG-CE2 4.3Å; F304-M400 HydrophobicContact CE1-CB 3.75Å; F304-M400 HydrophobicContact CE1-CE 4.27Å; F304-M400 HydrophobicContact CZ-CB 3.52Å; F304-M400 HydrophobicContact CZ-CE 4.02Å; F304-M400 HydrophobicContact CZ-SD 4.29Å; F304-K401 HydrophobicContact CB-CB 4.39Å; F304-K401 HydrophobicContact CB-CD 4.42Å; F304-K401 HydrophobicContact CB-CG 3.99Å; F304-K401 HydrophobicContact CD1-CB 3.6Å; F304-K401 HydrophobicContact CD1-CG 4.11Å; F304-K401 HydrophobicContact CE1-CB 4.18Å; F304-K401 HydrophobicContact CG-CB 4.23Å; F304-K401 HydrophobicContact CG-CG 4.37Å; F304-Y405 HydrophobicContact CB-CD1 3.89Å; F304-Y405 HydrophobicContact CB-CD2 4.33Å; F304-Y405 HydrophobicContact CB-CE1 4.04Å; F304-Y405 HydrophobicContact CB-CE2 4.42Å; F304-Y405 HydrophobicContact CB-CG 4.04Å; F304-Y405 HydrophobicContact CD2-CD1 4.27Å; F304-Y405 AromaticContact CD2-CD2 3.47Å; F304-Y405 HydrophobicContact CD2-CD2 3.47Å; F304-Y405 VanDerWaalsContact CD2-CD2 3.47Å; F304-Y405 HydrophobicContact CD2-CE2 4.12Å; F304-Y405 AromaticContact CD2-CG 3.53Å; F304-Y405 HydrophobicContact CD2-CG 3.53Å; F304-Y405 HydrophobicContact CE2-CD2 4.21Å; F304-Y405 HydrophobicContact CE2-CG 4.28Å; F304-Y405 HydrophobicContact CG-CD1 4.34Å; F304-Y405 HydrophobicContact CG-CD2 4.29Å; F304-Y405 HydrophobicContact CG-CG 4.03Å
305	M	97.1	Very high	97.1	Very high	76 Å²	76	37 Å²	37	37%	0.374	19%	0.185	S	C	.	.	H	α-helix	trans	-68.1	-31	174.3	-74.9	-54.5	-64.4	0	0	113	S303 L308 S309 Y397	S303-M305 PolarHBondContact O-N 3.04Å; S303-M305 PolarHBondContact OG-N 2.96Å; M305-L308 PolarHBondContact O-N 2.84Å; M305-L308 HydrophobicContact SD-CD1 4.49Å; M305-S309 WeakPolarHBondContact O-CB 3.24Å; M305-S309 PolarHBondContact O-N 2.63Å; M305-S309 PolarHBondContact O-OG 3.42Å; M305-Y397 HydrophobicContact CG-CE2 4.1Å; M305-Y397 WeakPolarHBondContact CG-OH 3.39Å; M305-Y397 HydrophobicContact SD-CD2 4.28Å; M305-Y397 HydrophobicContact SD-CE2 3.39Å; M305-Y397 WeakPolarHBondContact SD-CE2 3.49Å
306	E	97.8	Very high	97.2	Very high	28 Å²	28	35 Å²	35	13%	0.131	17%	0.174	C	C	.	.	H	α-helix	trans	-65.1	-44	175.7	-73	-65.3	163.2	0	0	110.7	Y258 R299 F302 S303 F304 S309 D310	Y258-E306 HydrophobicContact CE1-CG 4.41Å; Y258-E306 WeakPolarHBondContact CE1-OE1 3.4Å; Y258-E306 VanDerWaalsContact OH-CG 3.22Å; Y258-E306 WeakPolarHBondContact OH-CG 3.29Å; Y258-E306 PolarHBondContact OH-OE1 3.49Å; Y258-E306 VanDerWaalsContact OH-OE1 3.13Å; R299-E306 HydrophobicContact CG-CB 4.5Å; R299-E306 HydrophobicContact CG-CG 4.36Å; R299-E306 IonicContact CZ-OE1 2.72Å; R299-E306 IonicContact CZ-OE2 2.67Å; R299-E306 VanDerWaalsContact CZ-OE2 3.23Å; R299-E306 VanDerWaalsContact NE-CD 3.29Å; R299-E306 IonicContact NE-OE1 3.6Å; R299-E306 IonicContact NE-OE2 3.75Å; R299-E306 PolarHBondContact NE-OE2 3.39Å; R299-E306 IonicContact NH2-OE1 3.45Å; R299-E306 PolarHBondContact NH2-OE1 3.07Å; R299-E306 IonicContact NH2-OE2 2.74Å; R299-E306 PolarHBondContact NH2-OE2 3.33Å; R299-E306 VanDerWaalsContact NH2-OE2 3.11Å; R299-E306 VanDerWaalsContact O-CB 3.31Å; R299-E306 WeakPolarHBondContact O-CB 3.44Å; F302-E306 HydrophobicContact CB-CG 4.31Å; S303-E306 WeakPolarHBondContact O-CB 3.17Å; S303-E306 PolarHBondContact O-N 3.05Å; S303-E306 PolarHBondContact OG-N 3.08Å; F304-E306 VanDerWaalsContact C-N 3.33Å; F304-E306 PolarHBondContact O-N 3.1Å; E306-S309 PolarHBondContact O-N 3.18Å; E306-D310 PolarHBondContact O-N 2.64Å
307	L	98.2	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-46.4	172.5	180	69.5	0	0	0	111.9	W300 S303 F304 G313 R314 F317 Y405 Y408	W300-L307 HydrophobicContact CB-CB 4.18Å; W300-L307 HydrophobicContact CB-CD1 3.79Å; W300-L307 HydrophobicContact CD2-CD1 3.97Å; W300-L307 HydrophobicContact CE3-CD1 4.04Å; W300-L307 HydrophobicContact CG-CD1 3.88Å; S303-L307 PolarHBondContact O-N 3.44Å; F304-L307 HydrophobicContact CD2-CD2 4.25Å; F304-L307 HydrophobicContact CE2-CD2 4.32Å; F304-L307 PolarHBondContact O-N 2.9Å; L307-G313 WeakPolarHBondContact CD1-O 3.43Å; L307-G313 CarbonylContact O-C 3.45Å; L307-R314 PolarHBondContact O-N 3.39Å; L307-F317 HydrophobicContact CD1-CB 4.43Å; L307-F317 HydrophobicContact CD2-CB 3.92Å; L307-F317 HydrophobicContact CD2-CD1 4.27Å; L307-F317 HydrophobicContact CD2-CD2 3.86Å; L307-F317 HydrophobicContact CD2-CE2 4.45Å; L307-F317 HydrophobicContact CD2-CG 3.75Å; L307-F317 HydrophobicContact CG-CB 4.3Å; L307-Y405 HydrophobicContact CB-CE2 4.09Å; L307-Y405 HydrophobicContact CD2-CD2 3.52Å; L307-Y405 HydrophobicContact CD2-CE2 3.73Å; L307-Y408 HydrophobicContact CD1-CE1 3.72Å; L307-Y408 HydrophobicContact CD2-CD1 3.82Å; L307-Y408 HydrophobicContact CD2-CE1 3.78Å; L307-Y408 HydrophobicContact CG-CE1 4.44Å
308	L	97.4	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.6	-24.9	-178.3	-70.4	-173.8	0	0	0	113.8	F304 M305 R314 F317 L330 W333 Y397	F304-L308 HydrophobicContact CD1-CD1 4Å; F304-L308 HydrophobicContact CD1-CG 4.48Å; F304-L308 HydrophobicContact CD2-CD1 4.46Å; F304-L308 HydrophobicContact CD2-CG 4.08Å; F304-L308 HydrophobicContact CE1-CD1 3.59Å; F304-L308 HydrophobicContact CE1-CG 4.2Å; F304-L308 HydrophobicContact CE2-CD1 4.08Å; F304-L308 HydrophobicContact CE2-CD2 3.82Å; F304-L308 HydrophobicContact CE2-CG 3.75Å; F304-L308 HydrophobicContact CG-CD1 4.43Å; F304-L308 HydrophobicContact CG-CG 4.44Å; F304-L308 HydrophobicContact CZ-CD1 3.63Å; F304-L308 HydrophobicContact CZ-CD2 3.87Å; F304-L308 HydrophobicContact CZ-CG 3.82Å; F304-L308 WeakPolarHBondContact O-CG 3.34Å; F304-L308 PolarHBondContact O-N 3.15Å; M305-L308 PolarHBondContact O-N 2.84Å; M305-L308 HydrophobicContact SD-CD1 4.49Å; L308-R314 HydrophobicContact CD2-CG 4.45Å; L308-R314 WeakPolarHBondContact O-CD 3.49Å; L308-R314 WeakPolarHBondContact O-CG 3.35Å; L308-R314 PolarHBondContact O-NH1 3.48Å; L308-F317 HydrophobicContact CD2-CD1 4.37Å; L308-L330 HydrophobicContact CD2-CD1 3.59Å; L308-W333 HydrophobicContact CB-CH2 4.13Å; L308-W333 HydrophobicContact CB-CZ3 4.44Å; L308-W333 HydrophobicContact CD1-CD2 4.19Å; L308-W333 HydrophobicContact CD1-CE3 4.4Å; L308-W333 HydrophobicContact CD1-CH2 4.12Å; L308-W333 HydrophobicContact CD1-CZ2 3.88Å; L308-W333 HydrophobicContact CD1-CZ3 4.37Å; L308-Y397 HydrophobicContact CD1-CD2 3.92Å; L308-Y397 HydrophobicContact CD1-CE2 3.98Å
309	S	96.1	Very high	97.3	Very high	76 Å²	76	34.4 Å²	34.4	53%	0.531	18%	0.176	S	C	.	.	H	α-helix	trans	-81	-25.7	179.5	-57.1	0	0	0	0	111.7	M305 E306 R314	M305-S309 WeakPolarHBondContact O-CB 3.24Å; M305-S309 PolarHBondContact O-N 2.63Å; M305-S309 PolarHBondContact O-OG 3.42Å; E306-S309 PolarHBondContact O-N 3.18Å; S309-R314 PolarHBondContact O-NH1 2.85Å
310	D	97.3	Very high	97.3	Very high	26 Å²	26	31.1 Å²	31.1	14%	0.139	16%	0.164	C	C	.	.	S	Bend	trans	-81.5	126.2	176.8	-168.6	-52.1	0	0	0	111.8	R296 W300 E306 M312 G313 R314	R296-D310 WeakPolarHBondContact CG-OD2 3.49Å; R296-D310 IonicContact CZ-OD1 3.53Å; R296-D310 IonicContact CZ-OD2 3.91Å; R296-D310 IonicContact NE-OD1 2.94Å; R296-D310 PolarHBondContact NE-OD1 3.24Å; R296-D310 IonicContact NE-OD2 3.72Å; R296-D310 PolarHBondContact NE-OD2 3.45Å; R296-D310 IonicContact NH2-OD1 3.11Å; R296-D310 PolarHBondContact NH2-OD1 2.74Å; R296-D310 IonicContact NH2-OD2 2.86Å; R296-D310 PolarHBondContact NH2-OD2 3.02Å; W300-D310 PolarHBondContact NE1-OD2 2.93Å; E306-D310 PolarHBondContact O-N 2.64Å; D310-M312 PolarHBondContact O-N 2.83Å; D310-M312 WeakPolarHBondContact OD1-CA 3.49Å; D310-M312 WeakPolarHBondContact OD1-CB 3.22Å; D310-M312 PolarHBondContact OD1-N 3.01Å; D310-G313 PolarHBondContact O-N 2.93Å; D310-G313 PolarHBondContact OD1-N 3.48Å; D310-R314 WeakPolarHBondContact O-CG 3.47Å; D310-R314 PolarHBondContact O-N 3.5Å
311	A	96.2	Very high	97.3	Very high	20 Å²	20	31.1 Å²	31.1	17%	0.165	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-40.1	179.1	0	0	0	0	0	113.5	E287 R315	E287-A311 HydrophobicContact CG-CB 3.52Å; A311-R315 WeakPolarHBondContact O-CB 3.45Å; A311-R315 PolarHBondContact O-N 2.87Å; A311-R315 VanDerWaalsContact O-N 3.12Å
312	M	96.4	Very high	97.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-70.3	-41.1	174.8	-71.5	-72.8	-63.7	0	0	110.5	E287 I288 V289 W300 D310 R315 E316	E287-M312 WeakPolarHBondContact O-CG 3.29Å; I288-M312 HydrophobicContact CG2-SD 4.33Å; V289-M312 VanDerWaalsContact O-CE 3.26Å; V289-M312 WeakPolarHBondContact O-CE 3.38Å; W300-M312 HydrophobicContact CH2-CB 4.19Å; W300-M312 HydrophobicContact CZ2-CB 3.83Å; D310-M312 PolarHBondContact O-N 2.83Å; D310-M312 WeakPolarHBondContact OD1-CA 3.49Å; D310-M312 WeakPolarHBondContact OD1-CB 3.22Å; D310-M312 PolarHBondContact OD1-N 3.01Å; M312-R315 PolarHBondContact O-N 3.36Å; M312-R315 PolarHBondContact SD-NH2 3.43Å; M312-E316 WeakPolarHBondContact O-CG 3.15Å; M312-E316 PolarHBondContact O-N 3.48Å
313	G	97.1	Very high	97.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.4	-49.4	175.3	0	0	0	0	0	112.4	L307 D310 R315 E316 F317	L307-G313 WeakPolarHBondContact CD1-O 3.43Å; L307-G313 CarbonylContact O-C 3.45Å; D310-G313 PolarHBondContact O-N 2.93Å; D310-G313 PolarHBondContact OD1-N 3.48Å; G313-R315 VanDerWaalsContact C-N 3.32Å; G313-R315 PolarHBondContact O-N 3.49Å; G313-E316 PolarHBondContact O-N 2.87Å; G313-F317 VanDerWaalsContact O-CB 3.32Å; G313-F317 WeakPolarHBondContact O-CB 3.22Å; G313-F317 PolarHBondContact O-N 3.29Å
314	R	97.4	Very high	97	Very high	60 Å²	60	39.6 Å²	39.6	23%	0.226	19%	0.192	C	C	.	.	H	α-helix	trans	-56.8	-44.1	173.2	-73.6	-168	-62.2	-84.6	3.1	112.2	L307 L308 S309 D310 F317 M318	L307-R314 PolarHBondContact O-N 3.39Å; L308-R314 HydrophobicContact CD2-CG 4.45Å; L308-R314 WeakPolarHBondContact O-CD 3.49Å; L308-R314 WeakPolarHBondContact O-CG 3.35Å; L308-R314 PolarHBondContact O-NH1 3.48Å; S309-R314 PolarHBondContact O-NH1 2.85Å; D310-R314 WeakPolarHBondContact O-CG 3.47Å; D310-R314 PolarHBondContact O-N 3.5Å; R314-F317 PolarHBondContact O-N 2.88Å; R314-M318 VanDerWaalsContact O-CB 3.25Å; R314-M318 WeakPolarHBondContact O-CB 2.92Å; R314-M318 PolarHBondContact O-N 2.91Å
315	R	96.5	Very high	96.8	Very high	115 Å²	115	48.3 Å²	48.3	43%	0.434	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-47	-178.5	-169.6	-179.6	70.8	179.7	5.7	112	A311 M312 G313 F317 M318 T319	A311-R315 WeakPolarHBondContact O-CB 3.45Å; A311-R315 PolarHBondContact O-N 2.87Å; A311-R315 VanDerWaalsContact O-N 3.12Å; M312-R315 PolarHBondContact O-N 3.36Å; M312-R315 PolarHBondContact SD-NH2 3.43Å; G313-R315 VanDerWaalsContact C-N 3.32Å; G313-R315 PolarHBondContact O-N 3.49Å; R315-F317 VanDerWaalsContact C-N 3.35Å; R315-M318 WeakPolarHBondContact O-CB 3.42Å; R315-M318 PolarHBondContact O-N 3.27Å; R315-T319 PolarHBondContact O-N 2.82Å; R315-T319 PolarHBondContact O-OG1 3.25Å
316	E	96.7	Very high	96.7	Very high	23 Å²	23	45.4 Å²	45.4	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-38.7	177.7	-65.2	-56.9	134.6	0	0	111.9	W300 M312 G313 M318 T319 Y320 Y408 L413 M417	W300-E316 HydrophobicContact CH2-CG 4.21Å; W300-E316 HydrophobicContact CZ3-CB 4.43Å; W300-E316 HydrophobicContact CZ3-CG 4.23Å; M312-E316 WeakPolarHBondContact O-CG 3.15Å; M312-E316 PolarHBondContact O-N 3.48Å; G313-E316 PolarHBondContact O-N 2.87Å; E316-M318 VanDerWaalsContact C-N 3.35Å; E316-T319 PolarHBondContact O-N 3.18Å; E316-Y320 PolarHBondContact O-N 2.86Å; E316-Y408 WeakPolarHBondContact CB-OH 3.33Å; E316-L413 WeakPolarHBondContact O-CD2 3.41Å; E316-M417 HydrophobicContact CG-CE 3.69Å; E316-M417 WeakPolarHBondContact OE1-CE 3.29Å; E316-M417 VanDerWaalsContact OE2-CE 3.3Å; E316-M417 WeakPolarHBondContact OE2-CE 3.48Å
317	F	98.3	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-38.5	174.9	-171	-125.3	0	0	0	112	F304 L307 L308 G313 R314 R315 Y320 L321 L330 M400 Y408	F304-F317 HydrophobicContact CE2-CD1 4.16Å; F304-F317 AromaticContact CE2-CE1 3.55Å; F304-F317 HydrophobicContact CE2-CE1 3.55Å; F304-F317 AromaticContact CE2-CZ 3.85Å; F304-F317 HydrophobicContact CE2-CZ 3.85Å; F304-F317 AromaticContact CZ-CE1 3.81Å; F304-F317 HydrophobicContact CZ-CE1 3.81Å; F304-F317 HydrophobicContact CZ-CZ 4.25Å; L307-F317 HydrophobicContact CD1-CB 4.43Å; L307-F317 HydrophobicContact CD2-CB 3.92Å; L307-F317 HydrophobicContact CD2-CD1 4.27Å; L307-F317 HydrophobicContact CD2-CD2 3.86Å; L307-F317 HydrophobicContact CD2-CE2 4.45Å; L307-F317 HydrophobicContact CD2-CG 3.75Å; L307-F317 HydrophobicContact CG-CB 4.3Å; L308-F317 HydrophobicContact CD2-CD1 4.37Å; G313-F317 VanDerWaalsContact O-CB 3.32Å; G313-F317 WeakPolarHBondContact O-CB 3.22Å; G313-F317 PolarHBondContact O-N 3.29Å; R314-F317 PolarHBondContact O-N 2.88Å; R315-F317 VanDerWaalsContact C-N 3.35Å; F317-Y320 HydrophobicContact CD2-CD1 4.38Å; F317-Y320 HydrophobicContact CE2-CD1 4.25Å; F317-Y320 WeakPolarHBondContact O-CB 3.26Å; F317-Y320 PolarHBondContact O-N 2.97Å; F317-L321 HydrophobicContact CD1-CD1 3.96Å; F317-L321 HydrophobicContact CD1-CG 4.46Å; F317-L321 HydrophobicContact CE1-CD1 3.66Å; F317-L321 HydrophobicContact CE1-CD2 4.41Å; F317-L321 HydrophobicContact CE1-CG 4.2Å; F317-L321 HydrophobicContact CE2-CD2 4.25Å; F317-L321 HydrophobicContact CE2-CG 4.36Å; F317-L321 HydrophobicContact CZ-CD1 4.07Å; F317-L321 HydrophobicContact CZ-CD2 3.97Å; F317-L321 HydrophobicContact CZ-CG 4.16Å; F317-L321 WeakPolarHBondContact O-CG 3.2Å; F317-L321 PolarHBondContact O-N 2.98Å; F317-L330 HydrophobicContact CD1-CD2 3.98Å; F317-M400 HydrophobicContact CE1-SD 4.12Å; F317-Y408 AromaticContact CD2-CD1 3.91Å; F317-Y408 HydrophobicContact CD2-CD1 3.91Å; F317-Y408 AromaticContact CD2-CD2 3.99Å; F317-Y408 HydrophobicContact CD2-CD2 3.99Å; F317-Y408 AromaticContact CD2-CG 3.61Å; F317-Y408 HydrophobicContact CD2-CG 3.61Å; F317-Y408 HydrophobicContact CE2-CD1 4.48Å; F317-Y408 HydrophobicContact CE2-CG 4.09Å
318	M	98	Very high	96.6	Very high	23 Å²	23	46.7 Å²	46.7	11%	0.113	23%	0.225	C	C	.	.	H	α-helix	trans	-59.2	-49.5	173.8	-177.8	63.4	-163.7	0	0	111.4	R314 R315 E316 Y320 L321 E322 A327 L330 H331	R314-M318 VanDerWaalsContact O-CB 3.25Å; R314-M318 WeakPolarHBondContact O-CB 2.92Å; R314-M318 PolarHBondContact O-N 2.91Å; R315-M318 WeakPolarHBondContact O-CB 3.42Å; R315-M318 PolarHBondContact O-N 3.27Å; E316-M318 VanDerWaalsContact C-N 3.35Å; M318-Y320 PolarHBondContact O-N 3.37Å; M318-L321 PolarHBondContact O-N 3.33Å; M318-L321 VanDerWaalsContact O-N 3.08Å; M318-E322 HydrophobicContact CE-CG 3.75Å; M318-E322 VanDerWaalsContact CE-OE1 3.26Å; M318-E322 WeakPolarHBondContact CE-OE1 3.42Å; M318-E322 WeakPolarHBondContact O-CG 3.37Å; M318-E322 PolarHBondContact O-N 3.39Å; M318-A327 HydrophobicContact CE-CB 3.56Å; M318-A327 HydrophobicContact SD-CB 3.98Å; M318-L330 HydrophobicContact CB-CD2 3.81Å; M318-L330 HydrophobicContact CG-CD2 4.47Å; M318-L330 HydrophobicContact SD-CB 4.45Å; M318-L330 HydrophobicContact SD-CD2 3.99Å; M318-H331 WeakPolarHBondContact CE-CD2 3.43Å; M318-H331 WeakPolarHBondContact CE-NE2 3.38Å
319	T	97.1	Very high	96.6	Very high	50 Å²	50	47.2 Å²	47.2	31%	0.307	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-34	175.9	-60.7	0	0	0	0	112.5	R315 E316 K323 L413	R315-T319 PolarHBondContact O-N 2.82Å; R315-T319 PolarHBondContact O-OG1 3.25Å; E316-T319 PolarHBondContact O-N 3.18Å; T319-K323 PolarHBondContact O-N 2.92Å; T319-L413 HydrophobicContact CG2-CD2 4.42Å
320	Y	97.8	Very high	96.7	Very high	22 Å²	22	43.6 Å²	43.6	9%	0.086	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-48.3	172.5	175.7	-98.4	0	0	0	112.2	E316 F317 M318 E322 K323 E324 R407 Y408	E316-Y320 PolarHBondContact O-N 2.86Å; F317-Y320 HydrophobicContact CD2-CD1 4.38Å; F317-Y320 HydrophobicContact CE2-CD1 4.25Å; F317-Y320 WeakPolarHBondContact O-CB 3.26Å; F317-Y320 PolarHBondContact O-N 2.97Å; M318-Y320 PolarHBondContact O-N 3.37Å; Y320-E322 VanDerWaalsContact C-N 3.3Å; Y320-E322 PolarHBondContact O-N 3.5Å; Y320-K323 WeakPolarHBondContact O-CB 3.35Å; Y320-K323 PolarHBondContact O-N 3.21Å; Y320-K323 VanDerWaalsContact O-N 3.16Å; Y320-E324 HydrophobicContact CE1-CG 4.35Å; Y320-E324 WeakPolarHBondContact CE1-OE2 3.22Å; Y320-E324 VanDerWaalsContact CZ-CD 3.41Å; Y320-E324 PolarHBondContact O-N 3.36Å; Y320-E324 PolarHBondContact OH-OE1 2.96Å; Y320-E324 PolarHBondContact OH-OE2 2.79Å; Y320-R407 WeakPolarHBondContact OH-CB 3.29Å; Y320-Y408 HydrophobicContact CD1-CD2 4.16Å; Y320-Y408 HydrophobicContact CD1-CG 4.44Å; Y320-Y408 HydrophobicContact CD2-CD2 4.08Å; Y320-Y408 AromaticContact CG-CD2 3.71Å; Y320-Y408 HydrophobicContact CG-CD2 3.71Å; Y320-Y408 HydrophobicContact CG-CG 4.41Å
321	L	97.6	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-32.7	-179.1	-66.1	174.9	0	0	0	112.7	F317 M318 K323 E324 F325 S326 A327 L330 M400	F317-L321 HydrophobicContact CD1-CD1 3.96Å; F317-L321 HydrophobicContact CD1-CG 4.46Å; F317-L321 HydrophobicContact CE1-CD1 3.66Å; F317-L321 HydrophobicContact CE1-CD2 4.41Å; F317-L321 HydrophobicContact CE1-CG 4.2Å; F317-L321 HydrophobicContact CE2-CD2 4.25Å; F317-L321 HydrophobicContact CE2-CG 4.36Å; F317-L321 HydrophobicContact CZ-CD1 4.07Å; F317-L321 HydrophobicContact CZ-CD2 3.97Å; F317-L321 HydrophobicContact CZ-CG 4.16Å; F317-L321 WeakPolarHBondContact O-CG 3.2Å; F317-L321 PolarHBondContact O-N 2.98Å; M318-L321 PolarHBondContact O-N 3.33Å; M318-L321 VanDerWaalsContact O-N 3.08Å; L321-K323 VanDerWaalsContact C-N 3.31Å; L321-K323 PolarHBondContact O-N 3.2Å; L321-E324 CarbonylContact O-C 3.4Å; L321-E324 PolarHBondContact O-N 2.83Å; L321-F325 PolarHBondContact O-N 3.26Å; L321-S326 WeakPolarHBondContact CD2-OG 3.34Å; L321-S326 PolarHBondContact O-N 3.38Å; L321-A327 HydrophobicContact CB-CB 4.03Å; L321-L330 HydrophobicContact CD1-CB 3.61Å; L321-L330 HydrophobicContact CD1-CD2 4.1Å; L321-L330 HydrophobicContact CD1-CG 4.48Å; L321-M400 HydrophobicContact CD1-SD 4.31Å
322	E	96.7	Very high	96.8	Very high	103 Å²	103	43.9 Å²	43.9	48%	0.481	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-40.1	173.5	-73.6	173.4	160.3	0	0	111.7	M318 Y320 E324 F325 A327	M318-E322 HydrophobicContact CE-CG 3.75Å; M318-E322 VanDerWaalsContact CE-OE1 3.26Å; M318-E322 WeakPolarHBondContact CE-OE1 3.42Å; M318-E322 WeakPolarHBondContact O-CG 3.37Å; M318-E322 PolarHBondContact O-N 3.39Å; Y320-E322 VanDerWaalsContact C-N 3.3Å; Y320-E322 PolarHBondContact O-N 3.5Å; E322-E324 PolarHBondContact O-N 3.14Å; E322-F325 PolarHBondContact O-N 3.33Å; E322-A327 HydrophobicContact CG-CB 3.84Å
323	K	95.3	Very high	96.8	Very high	142 Å²	142	44.8 Å²	44.8	62%	0.617	20%	0.203	S	C	*	.	H	α-helix	trans	-66.5	-28.3	175.8	-69.8	-179.9	178.8	-176.9	0	112.9	T319 Y320 L321	T319-K323 PolarHBondContact O-N 2.92Å; Y320-K323 WeakPolarHBondContact O-CB 3.35Å; Y320-K323 PolarHBondContact O-N 3.21Å; Y320-K323 VanDerWaalsContact O-N 3.16Å; L321-K323 VanDerWaalsContact C-N 3.31Å; L321-K323 PolarHBondContact O-N 3.2Å
324	E	94.4	Very high	96.8	Very high	64 Å²	64	47.5 Å²	47.5	30%	0.299	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	8.5	177.1	-64.1	-164.2	155	0	0	113.2	Y320 L321 E322 S326 R407	Y320-E324 HydrophobicContact CE1-CG 4.35Å; Y320-E324 WeakPolarHBondContact CE1-OE2 3.22Å; Y320-E324 VanDerWaalsContact CZ-CD 3.41Å; Y320-E324 PolarHBondContact O-N 3.36Å; Y320-E324 PolarHBondContact OH-OE1 2.96Å; Y320-E324 PolarHBondContact OH-OE2 2.79Å; L321-E324 CarbonylContact O-C 3.4Å; L321-E324 PolarHBondContact O-N 2.83Å; E322-E324 PolarHBondContact O-N 3.14Å; E324-S326 PolarHBondContact O-N 3.32Å; E324-R407 IonicContact OE1-CZ 3.55Å; E324-R407 IonicContact OE1-NH1 2.78Å; E324-R407 PolarHBondContact OE1-NH1 3.37Å; E324-R407 IonicContact OE2-CZ 3.43Å; E324-R407 IonicContact OE2-NH1 2.65Å; E324-R407 PolarHBondContact OE2-NH1 3.27Å; E324-R407 IonicContact OE2-NH2 3.28Å; E324-R407 PolarHBondContact OE2-NH2 3.47Å
325	F	92.8	Very high	96.8	Very high	184 Å²	184	45.6 Å²	45.6	81%	0.807	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.8	-178.4	-55.1	-87.3	0	0	0	113.3	L321 E322	L321-F325 PolarHBondContact O-N 3.26Å; E322-F325 PolarHBondContact O-N 3.33Å
326	S	96.2	Very high	96.9	Very high	15 Å²	15	40.3 Å²	40.3	11%	0.105	19%	0.193	C	C	.	.			trans	-131.5	19.6	-177.6	57.9	0	0	0	0	113.7	L321 E324 E328 N329	L321-S326 WeakPolarHBondContact CD2-OG 3.34Å; L321-S326 PolarHBondContact O-N 3.38Å; E324-S326 PolarHBondContact O-N 3.32Å; S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 WeakPolarHBondContact CA-OE1 3.43Å; S326-E328 VanDerWaalsContact CA-OE2 3.27Å; S326-E328 WeakPolarHBondContact CA-OE2 3.4Å; S326-E328 PolarHBondContact O-N 3.44Å; S326-N329 PolarHBondContact O-N 3.44Å; S326-N329 PolarHBondContact O-ND2 3.29Å
327	A	96.8	Very high	96.8	Very high	10 Å²	10	41.6 Å²	41.6	8%	0.083	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.9	-173.2	0	0	0	0	0	114	M318 L321 E322 N329 L330 H331	M318-A327 HydrophobicContact CE-CB 3.56Å; M318-A327 HydrophobicContact SD-CB 3.98Å; L321-A327 HydrophobicContact CB-CB 4.03Å; E322-A327 HydrophobicContact CG-CB 3.84Å; A327-N329 PolarHBondContact O-N 2.93Å; A327-L330 PolarHBondContact O-N 3.45Å; A327-H331 PolarHBondContact O-CD2 3.17Å; A327-H331 PolarHBondContact O-N 2.97Å
328	E	96.9	Very high	96.7	Very high	46 Å²	46	46.7 Å²	46.7	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-54.6	-33.7	174.6	68.5	-67.1	156.5	0	0	112.8	S326 L330 H331 F332 R365 V367	S326-E328 VanDerWaalsContact C-N 3.3Å; S326-E328 WeakPolarHBondContact CA-OE1 3.43Å; S326-E328 VanDerWaalsContact CA-OE2 3.27Å; S326-E328 WeakPolarHBondContact CA-OE2 3.4Å; S326-E328 PolarHBondContact O-N 3.44Å; E328-L330 PolarHBondContact O-N 2.87Å; E328-H331 PolarHBondContact O-N 3.42Å; E328-F332 WeakPolarHBondContact O-CB 3.34Å; E328-F332 PolarHBondContact O-N 3.5Å; E328-R365 HydrophobicContact CB-CB 3.99Å; E328-V367 HydrophobicContact CB-CG1 4.34Å; E328-V367 HydrophobicContact CG-CG1 4.03Å
329	N	97.3	Very high	96.6	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.059	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-43.9	178.9	-62.7	-58.9	0	0	0	112.5	S326 A327 W333 I396 M400	S326-N329 PolarHBondContact O-N 3.44Å; S326-N329 PolarHBondContact O-ND2 3.29Å; A327-N329 PolarHBondContact O-N 2.93Å; N329-W333 PolarHBondContact O-N 3.02Å; N329-W333 VanDerWaalsContact O-N 3.09Å; N329-I396 HydrophobicContact CB-CG2 3.81Å; N329-I396 VanDerWaalsContact O-CG2 3.31Å; N329-I396 WeakPolarHBondContact O-CG2 3.38Å; N329-M400 HydrophobicContact CB-CG 3.91Å; N329-M400 HydrophobicContact CB-SD 3.71Å
330	L	97.6	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.1	-39.4	179.7	-178.8	59	0	0	0	111.3	L308 F317 M318 L321 A327 E328 W333 Q334 M400	L308-L330 HydrophobicContact CD2-CD1 3.59Å; F317-L330 HydrophobicContact CD1-CD2 3.98Å; M318-L330 HydrophobicContact CB-CD2 3.81Å; M318-L330 HydrophobicContact CG-CD2 4.47Å; M318-L330 HydrophobicContact SD-CB 4.45Å; M318-L330 HydrophobicContact SD-CD2 3.99Å; L321-L330 HydrophobicContact CD1-CB 3.61Å; L321-L330 HydrophobicContact CD1-CD2 4.1Å; L321-L330 HydrophobicContact CD1-CG 4.48Å; A327-L330 PolarHBondContact O-N 3.45Å; E328-L330 PolarHBondContact O-N 2.87Å; L330-W333 HydrophobicContact CD1-CE3 4.32Å; L330-W333 PolarHBondContact O-N 3.49Å; L330-Q334 WeakPolarHBondContact O-CG 3.49Å; L330-Q334 PolarHBondContact O-N 3.32Å; L330-M400 HydrophobicContact CB-SD 4.14Å
331	H	97.6	Very high	96.4	Very high	52 Å²	52	52 Å²	52	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-40.6	175.6	-83.1	-78.3	0	0	0	113.4	M318 A327 E328 W333 Q334 A335 F358 R365	M318-H331 WeakPolarHBondContact CE-CD2 3.43Å; M318-H331 WeakPolarHBondContact CE-NE2 3.38Å; A327-H331 PolarHBondContact O-CD2 3.17Å; A327-H331 PolarHBondContact O-N 2.97Å; E328-H331 PolarHBondContact O-N 3.42Å; H331-W333 VanDerWaalsContact C-N 3.34Å; H331-Q334 PolarHBondContact O-N 2.87Å; H331-A335 WeakPolarHBondContact O-CB 3.39Å; H331-A335 PolarHBondContact O-N 3.04Å; H331-F358 HydrophobicContact CB-CE1 3.86Å; H331-F358 HydrophobicContact CB-CZ 3.9Å; H331-R365 PolarHBondContact CD2-NH1 3.16Å; H331-R365 PolarHBondContact CD2-NH2 3.18Å; H331-R365 VanDerWaalsContact CG-CZ 3.49Å; H331-R365 VanDerWaalsContact CG-NH2 3.31Å; H331-R365 PolarHBondContact ND1-NH1 3.39Å; H331-R365 PolarHBondContact NE2-NH2 3.49Å
332	F	98.1	Very high	96.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-48.4	172.7	174.8	-102.8	0	0	0	110.6	E328 Q334 A335 C336 V354 F358 L359 V367 I369 A392 I396	E328-F332 WeakPolarHBondContact O-CB 3.34Å; E328-F332 PolarHBondContact O-N 3.5Å; F332-Q334 VanDerWaalsContact C-N 3.32Å; F332-Q334 PolarHBondContact O-N 3.03Å; F332-A335 PolarHBondContact O-N 3.41Å; F332-A335 VanDerWaalsContact O-N 3.16Å; F332-C336 VanDerWaalsContact CZ-SG 3.57Å; F332-C336 PolarHBondContact O-N 3.49Å; F332-C336 PolarHBondContact O-SG 3.34Å; F332-V354 HydrophobicContact CD2-CG1 3.93Å; F332-V354 HydrophobicContact CE2-CG1 3.56Å; F332-F358 HydrophobicContact CB-CD1 3.72Å; F332-F358 HydrophobicContact CB-CE1 3.99Å; F332-F358 HydrophobicContact CB-CG 4.07Å; F332-F358 HydrophobicContact CD2-CB 3.55Å; F332-F358 HydrophobicContact CD2-CD1 4.23Å; F332-F358 HydrophobicContact CD2-CD2 4.05Å; F332-F358 AromaticContact CD2-CG 3.71Å; F332-F358 HydrophobicContact CD2-CG 3.71Å; F332-F358 HydrophobicContact CE2-CB 4.21Å; F332-F358 HydrophobicContact CG-CB 4.42Å; F332-F358 HydrophobicContact CG-CD1 4.46Å; F332-F358 HydrophobicContact CG-CG 4.37Å; F332-L359 HydrophobicContact CE2-CD1 4.28Å; F332-L359 HydrophobicContact CE2-CD2 3.92Å; F332-L359 HydrophobicContact CE2-CG 4.13Å; F332-L359 HydrophobicContact CZ-CD2 4.25Å; F332-V367 HydrophobicContact CB-CG1 3.78Å; F332-V367 HydrophobicContact CD2-CG2 4.24Å; F332-V367 HydrophobicContact CE2-CG2 4.48Å; F332-V367 HydrophobicContact CG-CG1 4.13Å; F332-V367 HydrophobicContact CG-CG2 4.24Å; F332-I369 HydrophobicContact CE1-CD1 4.36Å; F332-I369 HydrophobicContact CZ-CD1 4.24Å; F332-A392 HydrophobicContact CE1-CB 4.17Å; F332-A392 HydrophobicContact CZ-CB 3.81Å; F332-I396 HydrophobicContact CD1-CB 4.01Å; F332-I396 HydrophobicContact CD1-CG1 3.67Å; F332-I396 HydrophobicContact CD1-CG2 4.14Å; F332-I396 HydrophobicContact CE1-CB 4.3Å; F332-I396 HydrophobicContact CE1-CG1 3.78Å
333	W	97.8	Very high	96	Very high	21 Å²	21	53.7 Å²	53.7	8%	0.08	26%	0.255	C	S	.	.	H	α-helix	trans	-58.4	-42.6	178.2	-177.5	88.3	0	0	0	112.6	L308 N329 L330 H331 C336 E337 Q393 Y397 M400	L308-W333 HydrophobicContact CB-CH2 4.13Å; L308-W333 HydrophobicContact CB-CZ3 4.44Å; L308-W333 HydrophobicContact CD1-CD2 4.19Å; L308-W333 HydrophobicContact CD1-CE3 4.4Å; L308-W333 HydrophobicContact CD1-CH2 4.12Å; L308-W333 HydrophobicContact CD1-CZ2 3.88Å; L308-W333 HydrophobicContact CD1-CZ3 4.37Å; N329-W333 PolarHBondContact O-N 3.02Å; N329-W333 VanDerWaalsContact O-N 3.09Å; L330-W333 HydrophobicContact CD1-CE3 4.32Å; L330-W333 PolarHBondContact O-N 3.49Å; H331-W333 VanDerWaalsContact C-N 3.34Å; W333-C336 PolarHBondContact O-N 3.01Å; W333-E337 HydrophobicContact CD2-CG 4.24Å; W333-E337 HydrophobicContact CE3-CG 4.12Å; W333-E337 HydrophobicContact CH2-CG 3.64Å; W333-E337 HydrophobicContact CZ2-CG 3.75Å; W333-E337 HydrophobicContact CZ3-CG 3.83Å; W333-E337 PolarHBondContact O-N 3.22Å; W333-E337 VanDerWaalsContact O-N 3.08Å; W333-Q393 HydrophobicContact CG-CG 4.34Å; W333-Q393 PolarHBondContact O-NE2 3.29Å; W333-Y397 AromaticContact NE1-CD2 4Å; W333-M400 HydrophobicContact CB-CE 4.04Å; W333-M400 HydrophobicContact CG-CE 4.34Å
334	Q	97.1	Very high	96	Very high	57 Å²	57	50.9 Å²	50.9	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-42.3	175.7	-73	174.9	-37.5	0	0	112.3	L330 H331 F332 C336 E337 E338	L330-Q334 WeakPolarHBondContact O-CG 3.49Å; L330-Q334 PolarHBondContact O-N 3.32Å; H331-Q334 PolarHBondContact O-N 2.87Å; F332-Q334 VanDerWaalsContact C-N 3.32Å; F332-Q334 PolarHBondContact O-N 3.03Å; Q334-C336 VanDerWaalsContact C-N 3.29Å; Q334-C336 PolarHBondContact O-N 3.48Å; Q334-E337 WeakPolarHBondContact O-CB 3.19Å; Q334-E337 PolarHBondContact O-N 3.17Å; Q334-E338 PolarHBondContact O-N 3.4Å
335	A	97	Very high	96.1	Very high	20 Å²	20	52 Å²	52	17%	0.165	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-34	177.9	0	0	0	0	0	111.9	H331 F332 E338 I339 V354 F358	H331-A335 WeakPolarHBondContact O-CB 3.39Å; H331-A335 PolarHBondContact O-N 3.04Å; F332-A335 PolarHBondContact O-N 3.41Å; F332-A335 VanDerWaalsContact O-N 3.16Å; A335-E338 WeakPolarHBondContact O-CB 3.2Å; A335-E338 PolarHBondContact O-N 3.38Å; A335-I339 WeakPolarHBondContact O-CG1 3.31Å; A335-I339 PolarHBondContact O-N 3Å; A335-V354 HydrophobicContact CB-CG2 3.52Å; A335-F358 HydrophobicContact CB-CE2 4.25Å
336	C	97.4	Very high	96.2	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.02	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-42.5	170.9	-62.6	0	0	0	0	112.5	F332 W333 Q334 E338 I339 R340 M389 Q393	F332-C336 VanDerWaalsContact CZ-SG 3.57Å; F332-C336 PolarHBondContact O-N 3.49Å; F332-C336 PolarHBondContact O-SG 3.34Å; W333-C336 PolarHBondContact O-N 3.01Å; Q334-C336 VanDerWaalsContact C-N 3.29Å; Q334-C336 PolarHBondContact O-N 3.48Å; C336-E338 VanDerWaalsContact C-N 3.27Å; C336-E338 PolarHBondContact O-N 3.36Å; C336-I339 PolarHBondContact O-N 3.05Å; C336-I339 VanDerWaalsContact O-N 3.17Å; C336-R340 PolarHBondContact O-N 3.02Å; C336-M389 HydrophobicContact CB-CB 4.25Å; C336-Q393 HydrophobicContact CB-CB 3.85Å; C336-Q393 VanDerWaalsContact CB-CD 3.41Å; C336-Q393 HydrophobicContact CB-CG 3.6Å
337	E	96.1	Very high	96.2	Very high	50 Å²	50	47.9 Å²	47.9	23%	0.234	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-39	174.9	-73.7	-62.7	101.6	0	0	111.7	W333 Q334 I339 R340 H341 Q393	W333-E337 HydrophobicContact CD2-CG 4.24Å; W333-E337 HydrophobicContact CE3-CG 4.12Å; W333-E337 HydrophobicContact CH2-CG 3.64Å; W333-E337 HydrophobicContact CZ2-CG 3.75Å; W333-E337 HydrophobicContact CZ3-CG 3.83Å; W333-E337 PolarHBondContact O-N 3.22Å; W333-E337 VanDerWaalsContact O-N 3.08Å; Q334-E337 WeakPolarHBondContact O-CB 3.19Å; Q334-E337 PolarHBondContact O-N 3.17Å; E337-I339 VanDerWaalsContact C-N 3.32Å; E337-I339 PolarHBondContact O-N 3.32Å; E337-R340 PolarHBondContact O-N 3.47Å; E337-H341 PolarHBondContact O-N 2.98Å; E337-H341 IonicContact OE2-CD2 3.7Å; E337-H341 IonicContact OE2-NE2 2.65Å; E337-Q393 PolarHBondContact OE1-NE2 3.14Å
338	E	95.6	Very high	96.2	Very high	107 Å²	107	52.1 Å²	52.1	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-31.2	175.8	-84.6	-167.1	-144.7	0	0	114.3	Q334 A335 C336 G342 K350	Q334-E338 PolarHBondContact O-N 3.4Å; A335-E338 WeakPolarHBondContact O-CB 3.2Å; A335-E338 PolarHBondContact O-N 3.38Å; C336-E338 VanDerWaalsContact C-N 3.27Å; C336-E338 PolarHBondContact O-N 3.36Å; E338-G342 WeakPolarHBondContact O-CA 3.46Å; E338-G342 PolarHBondContact O-N 2.93Å; E338-K350 IonicContact OE2-NZ 3.88Å; E338-K350 PolarHBondContact OE2-NZ 2.89Å
339	I	96	Very high	96.1	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-72.1	-45.8	171	-67.6	163.4	0	0	0	109.3	A335 C336 E337 H341 K350 V351 V354 R386 M389	A335-I339 WeakPolarHBondContact O-CG1 3.31Å; A335-I339 PolarHBondContact O-N 3Å; C336-I339 PolarHBondContact O-N 3.05Å; C336-I339 VanDerWaalsContact O-N 3.17Å; E337-I339 VanDerWaalsContact C-N 3.32Å; E337-I339 PolarHBondContact O-N 3.32Å; I339-H341 PolarHBondContact O-N 3.19Å; I339-K350 HydrophobicContact CD1-CB 4.37Å; I339-K350 HydrophobicContact CG1-CB 3.67Å; I339-K350 HydrophobicContact CG1-CD 4.4Å; I339-V351 HydrophobicContact CD1-CG2 3.91Å; I339-V351 HydrophobicContact CG1-CG2 4.42Å; I339-V351 HydrophobicContact CG2-CG2 4.04Å; I339-V354 HydrophobicContact CD1-CB 4.19Å; I339-V354 HydrophobicContact CD1-CG2 3.69Å; I339-R386 PolarHBondContact O-NH1 3.12Å; I339-M389 HydrophobicContact CD1-CG 4.02Å
340	R	95.6	Very high	96.1	Very high	69 Å²	69	57.3 Å²	57.3	26%	0.26	29%	0.292	S	S	.	.	H	α-helix	trans	-66.2	-35.5	-175.3	-178.9	178.8	-91.8	-158.8	0.1	113	C336 E337 R386 D390	C336-R340 PolarHBondContact O-N 3.02Å; E337-R340 PolarHBondContact O-N 3.47Å; R340-R386 VanDerWaalsContact C-NH1 3.28Å; R340-R386 WeakPolarHBondContact O-CD 3.49Å; R340-R386 VanDerWaalsContact O-CG 3.31Å; R340-R386 WeakPolarHBondContact O-CG 2.95Å; R340-R386 PolarHBondContact O-NH1 2.59Å; R340-D390 IonicContact CZ-OD1 3.99Å; R340-D390 IonicContact CZ-OD2 2.7Å; R340-D390 IonicContact NE-OD1 3.47Å; R340-D390 PolarHBondContact NE-OD1 3.23Å; R340-D390 IonicContact NH2-OD1 3.59Å; R340-D390 PolarHBondContact NH2-OD1 3.41Å; R340-D390 IonicContact NH2-OD2 2.88Å; R340-D390 PolarHBondContact NH2-OD2 3.15Å
341	H	95.1	Very high	96.1	Very high	136 Å²	136	57.3 Å²	57.3	63%	0.63	29%	0.292	S	S	*	.	H	α-helix	trans	-113.5	-3.8	-176.3	-64.1	-65.4	0	0	0	114	E337 I339	E337-H341 PolarHBondContact O-N 2.98Å; E337-H341 IonicContact OE2-CD2 3.7Å; E337-H341 IonicContact OE2-NE2 2.65Å; I339-H341 PolarHBondContact O-N 3.19Å
342	G	92.6	Very high	96	Very high	22 Å²	22	59.3 Å²	59.3	23%	0.227	30%	0.302	C	S	.	.	S	Bend	trans	-79	-177.3	179.1	0	0	0	0	0	115.2	E338 R386	E338-G342 WeakPolarHBondContact O-CA 3.46Å; E338-G342 PolarHBondContact O-N 2.93Å; G342-R386 PolarHBondContact O-NH1 2.67Å; G342-R386 PolarHBondContact O-NH2 2.84Å
343	E	94.1	Very high	95.9	Very high	115 Å²	115	61.8 Å²	61.8	54%	0.537	32%	0.315	S	S	.	.			trans	-63.9	133.4	179.8	-163.7	-172.9	166.7	0	0	112.1	S345 K346	E343-S345 VanDerWaalsContact C-N 3.27Å; E343-S345 VanDerWaalsContact CG-OG 3.26Å; E343-S345 WeakPolarHBondContact CG-OG 3.38Å; E343-S345 PolarHBondContact O-N 2.86Å; E343-S345 PolarHBondContact OE1-OG 2.76Å; E343-S345 PolarHBondContact OE2-OG 3.18Å; E343-K346 PolarHBondContact O-N 2.63Å; E343-K346 VanDerWaalsContact OE2-CE 3.3Å; E343-K346 WeakPolarHBondContact OE2-CE 3.21Å; E343-K346 IonicContact OE2-NZ 3.64Å
344	S	94.6	Very high	95.8	Very high	84 Å²	84	61.1 Å²	61.1	59%	0.587	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-63.5	-29.8	-177.5	-63.8	0	0	0	0	113.8	K346 I347 R386	S344-K346 VanDerWaalsContact C-N 3.29Å; S344-K346 PolarHBondContact O-N 2.87Å; S344-I347 WeakPolarHBondContact O-CG1 3.47Å; S344-R386 PolarHBondContact OG-NH2 3.04Å
345	S	96.1	Very high	95.8	Very high	86 Å²	86	61.9 Å²	61.9	60%	0.601	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-66.4	-28.7	179.5	59.2	0	0	0	0	112.9	E343	E343-S345 VanDerWaalsContact C-N 3.27Å; E343-S345 VanDerWaalsContact CG-OG 3.26Å; E343-S345 WeakPolarHBondContact CG-OG 3.38Å; E343-S345 PolarHBondContact O-N 2.86Å; E343-S345 PolarHBondContact OE1-OG 2.76Å; E343-S345 PolarHBondContact OE2-OG 3.18Å
346	K	95.9	Very high	95.7	Very high	97 Å²	97	67.7 Å²	67.7	42%	0.422	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-96.3	3	-176.2	-60.9	-173.4	179.8	-179.8	0	114	E343 S344 I348 E349 K350	E343-K346 PolarHBondContact O-N 2.63Å; E343-K346 VanDerWaalsContact OE2-CE 3.3Å; E343-K346 WeakPolarHBondContact OE2-CE 3.21Å; E343-K346 IonicContact OE2-NZ 3.64Å; S344-K346 VanDerWaalsContact C-N 3.29Å; S344-K346 PolarHBondContact O-N 2.87Å; K346-I348 VanDerWaalsContact C-N 3.32Å; K346-I348 PolarHBondContact O-N 2.87Å; K346-E349 PolarHBondContact O-N 2.82Å; K346-K350 HydrophobicContact CB-CG 4.45Å; K346-K350 WeakPolarHBondContact O-CB 3.47Å; K346-K350 WeakPolarHBondContact O-CG 3.47Å; K346-K350 PolarHBondContact O-N 3.08Å
347	I	95.5	Very high	95.7	Very high	17 Å²	17	71.1 Å²	71.1	9%	0.087	35%	0.35	C	S	.	.	H	α-helix	trans	-58.5	-44.9	-175.2	-72.2	174.4	0	0	0	111.3	S344 K350 V351 P384 R386	S344-I347 WeakPolarHBondContact O-CG1 3.47Å; I347-K350 PolarHBondContact O-N 3.15Å; I347-V351 HydrophobicContact CG2-CG2 4.21Å; I347-V351 VanDerWaalsContact O-CB 3.3Å; I347-V351 WeakPolarHBondContact O-CB 3.5Å; I347-V351 WeakPolarHBondContact O-CG2 3.33Å; I347-V351 PolarHBondContact O-N 2.68Å; I347-P384 HydrophobicContact CG2-CB 4.44Å; I347-R386 HydrophobicContact CD1-CB 4.2Å
348	I	95.8	Very high	95.7	Very high	99 Å²	99	69.3 Å²	69.3	51%	0.508	34%	0.341	S	S	.	.	H	α-helix	trans	-62.9	-52.1	-177	-60.8	173.5	0	0	0	110.1	K346 K350 V351 E352 P384	K346-I348 VanDerWaalsContact C-N 3.32Å; K346-I348 PolarHBondContact O-N 2.87Å; I348-K350 PolarHBondContact O-N 3.43Å; I348-V351 PolarHBondContact O-N 2.94Å; I348-E352 WeakPolarHBondContact O-CG 3.44Å; I348-E352 PolarHBondContact O-N 3.25Å; I348-P384 HydrophobicContact CG1-CB 4.23Å; I348-P384 HydrophobicContact CG1-CG 4.41Å; I348-P384 HydrophobicContact CG2-CG 4.47Å
349	E	96.6	Very high	95.7	Very high	115 Å²	115	64.5 Å²	64.5	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-55.7	-50.4	177.6	-177.1	-173.9	176.1	0	0	111.8	K346 V351 E352 D353	K346-E349 PolarHBondContact O-N 2.82Å; E349-V351 VanDerWaalsContact C-N 3.34Å; E349-V351 PolarHBondContact O-N 3.4Å; E349-E352 PolarHBondContact O-N 2.83Å; E349-D353 PolarHBondContact O-N 2.97Å
350	K	96.4	Very high	95.6	Very high	50 Å²	50	65.1 Å²	65.1	22%	0.217	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-37.1	-179.7	-71.5	-166.5	174.5	-151.9	0	113.1	E338 I339 K346 I347 I348 D353 V354	E338-K350 IonicContact OE2-NZ 3.88Å; E338-K350 PolarHBondContact OE2-NZ 2.89Å; I339-K350 HydrophobicContact CD1-CB 4.37Å; I339-K350 HydrophobicContact CG1-CB 3.67Å; I339-K350 HydrophobicContact CG1-CD 4.4Å; K346-K350 HydrophobicContact CB-CG 4.45Å; K346-K350 WeakPolarHBondContact O-CB 3.47Å; K346-K350 WeakPolarHBondContact O-CG 3.47Å; K346-K350 PolarHBondContact O-N 3.08Å; I347-K350 PolarHBondContact O-N 3.15Å; I348-K350 PolarHBondContact O-N 3.43Å; K350-D353 PolarHBondContact O-N 3.29Å; K350-V354 WeakPolarHBondContact O-CG2 3.21Å; K350-V354 PolarHBondContact O-N 3.36Å
351	V	96.9	Very high	95.5	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-43	176.7	163.4	0	0	0	0	110.6	I339 I347 I348 E349 V354 Y355 I381 P384 V388 M389	I339-V351 HydrophobicContact CD1-CG2 3.91Å; I339-V351 HydrophobicContact CG1-CG2 4.42Å; I339-V351 HydrophobicContact CG2-CG2 4.04Å; I347-V351 HydrophobicContact CG2-CG2 4.21Å; I347-V351 VanDerWaalsContact O-CB 3.3Å; I347-V351 WeakPolarHBondContact O-CB 3.5Å; I347-V351 WeakPolarHBondContact O-CG2 3.33Å; I347-V351 PolarHBondContact O-N 2.68Å; I348-V351 PolarHBondContact O-N 2.94Å; E349-V351 VanDerWaalsContact C-N 3.34Å; E349-V351 PolarHBondContact O-N 3.4Å; V351-V354 PolarHBondContact O-N 2.98Å; V351-Y355 WeakPolarHBondContact O-CB 3.49Å; V351-Y355 PolarHBondContact O-N 3.05Å; V351-I381 HydrophobicContact CG1-CB 4.44Å; V351-I381 HydrophobicContact CG1-CG1 3.96Å; V351-I381 HydrophobicContact CG1-CG2 4.11Å; V351-P384 HydrophobicContact CB-CB 4.27Å; V351-P384 HydrophobicContact CG1-CB 4.13Å; V351-P384 HydrophobicContact CG1-CG 4.3Å; V351-P384 HydrophobicContact CG2-CB 4.3Å; V351-V388 HydrophobicContact CG1-CG1 4.16Å; V351-V388 HydrophobicContact CG2-CG1 3.62Å; V351-M389 HydrophobicContact CB-CE 4.47Å; V351-M389 HydrophobicContact CG1-CE 3.91Å
352	E	95.8	Very high	95.2	Very high	94 Å²	94	65 Å²	65	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-41.9	174.7	-71.7	179.6	-176.3	0	0	112	I348 E349 Y355 R356	I348-E352 WeakPolarHBondContact O-CG 3.44Å; I348-E352 PolarHBondContact O-N 3.25Å; E349-E352 PolarHBondContact O-N 2.83Å; E352-Y355 PolarHBondContact O-N 2.97Å; E352-R356 WeakPolarHBondContact O-CG 2.83Å; E352-R356 PolarHBondContact O-N 2.91Å
353	D	95.9	Very high	95.3	Very high	53 Å²	53	64.6 Å²	64.6	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-45.2	175.8	-77.4	-22.7	0	0	0	112.6	E349 K350 Y355 R356 N357	E349-D353 PolarHBondContact O-N 2.97Å; K350-D353 PolarHBondContact O-N 3.29Å; D353-Y355 VanDerWaalsContact C-N 3.32Å; D353-Y355 PolarHBondContact O-N 2.89Å; D353-R356 PolarHBondContact O-N 3.11Å; D353-R356 IonicContact OD1-CZ 3.69Å; D353-R356 IonicContact OD1-NE 2.67Å; D353-R356 IonicContact OD1-NH2 2.65Å; D353-R356 PolarHBondContact OD1-NH2 3.38Å; D353-N357 VanDerWaalsContact O-CB 3.27Å; D353-N357 WeakPolarHBondContact O-CB 3.22Å; D353-N357 VanDerWaalsContact O-CG 3.3Å; D353-N357 PolarHBondContact O-N 3.03Å; D353-N357 PolarHBondContact O-ND2 2.93Å
354	V	96.8	Very high	95	Very high	6 Å²	6	63.9 Å²	63.9	4%	0.036	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-42.7	176.4	168.9	0	0	0	0	110.8	F332 A335 I339 K350 V351 F358 M389	F332-V354 HydrophobicContact CD2-CG1 3.93Å; F332-V354 HydrophobicContact CE2-CG1 3.56Å; A335-V354 HydrophobicContact CB-CG2 3.52Å; I339-V354 HydrophobicContact CD1-CB 4.19Å; I339-V354 HydrophobicContact CD1-CG2 3.69Å; K350-V354 WeakPolarHBondContact O-CG2 3.21Å; K350-V354 PolarHBondContact O-N 3.36Å; V351-V354 PolarHBondContact O-N 2.98Å; V354-F358 HydrophobicContact CG1-CD2 4.33Å; V354-F358 WeakPolarHBondContact O-CB 3.46Å; V354-F358 WeakPolarHBondContact O-CD2 3.38Å; V354-F358 PolarHBondContact O-N 3.41Å; V354-M389 HydrophobicContact CB-CE 4.13Å; V354-M389 HydrophobicContact CG1-CE 3.82Å; V354-M389 HydrophobicContact CG1-SD 4.05Å
355	Y	95.9	Very high	95	Very high	74 Å²	74	64 Å²	64	29%	0.29	36%	0.355	S	S	.	.	I	π-helix	trans	-59.2	-53.2	175.8	172.8	-106	0	0	0	111.6	V351 E352 D353 N357 L359 A360 L378 I381	V351-Y355 WeakPolarHBondContact O-CB 3.49Å; V351-Y355 PolarHBondContact O-N 3.05Å; E352-Y355 PolarHBondContact O-N 2.97Å; D353-Y355 VanDerWaalsContact C-N 3.32Å; D353-Y355 PolarHBondContact O-N 2.89Å; Y355-N357 VanDerWaalsContact C-N 3.35Å; Y355-N357 PolarHBondContact O-N 3.09Å; Y355-L359 HydrophobicContact CD2-CB 3.86Å; Y355-L359 HydrophobicContact CE2-CB 4.36Å; Y355-L359 CarbonylContact O-C 3.57Å; Y355-L359 PolarHBondContact O-N 3.47Å; Y355-A360 HydrophobicContact CD1-CB 4.49Å; Y355-A360 HydrophobicContact CE1-CB 4.06Å; Y355-A360 HydrophobicContact CE2-CB 4.42Å; Y355-A360 PolarHBondContact O-N 3.42Å; Y355-L378 HydrophobicContact CD2-CD2 4.02Å; Y355-L378 HydrophobicContact CE2-CD2 3.45Å; Y355-L378 VanDerWaalsContact CE2-CD2 3.45Å; Y355-I381 HydrophobicContact CD2-CD1 3.9Å; Y355-I381 HydrophobicContact CG-CD1 4.33Å
356	R	96	Very high	94.8	Very high	141 Å²	141	67.3 Å²	67.3	53%	0.532	36%	0.355	S	S	.	.	I	π-helix	trans	-61.1	-41.3	-178	-72.4	-170.6	-62.7	-145.4	4.3	112.9	E352 D353 A363	E352-R356 WeakPolarHBondContact O-CG 2.83Å; E352-R356 PolarHBondContact O-N 2.91Å; D353-R356 PolarHBondContact O-N 3.11Å; D353-R356 IonicContact OD1-CZ 3.69Å; D353-R356 IonicContact OD1-NE 2.67Å; D353-R356 IonicContact OD1-NH2 2.65Å; D353-R356 PolarHBondContact OD1-NH2 3.38Å; R356-A363 WeakPolarHBondContact O-CB 3.34Å
357	N	96.4	Very high	94.8	Very high	75 Å²	75	62.7 Å²	62.7	40%	0.401	34%	0.335	S	S	.	.	I	π-helix	trans	-82.6	-27.7	-172.2	-70.1	-43	0	0	0	113.8	D353 Y355 R365	D353-N357 VanDerWaalsContact O-CB 3.27Å; D353-N357 WeakPolarHBondContact O-CB 3.22Å; D353-N357 VanDerWaalsContact O-CG 3.3Å; D353-N357 PolarHBondContact O-N 3.03Å; D353-N357 PolarHBondContact O-ND2 2.93Å; Y355-N357 VanDerWaalsContact C-N 3.35Å; Y355-N357 PolarHBondContact O-N 3.09Å; N357-R365 WeakPolarHBondContact O-CB 3.39Å; N357-R365 PolarHBondContact O-N 3.14Å
358	F	96.9	Very high	94.6	Very high	12 Å²	12	67 Å²	67	5%	0.053	36%	0.358	C	S	.	.	I	π-helix	trans	-126.4	-28.6	-170.7	-58.8	-84.8	0	0	0	115.3	H331 F332 A335 V354 R365 W366 V367	H331-F358 HydrophobicContact CB-CE1 3.86Å; H331-F358 HydrophobicContact CB-CZ 3.9Å; F332-F358 HydrophobicContact CB-CD1 3.72Å; F332-F358 HydrophobicContact CB-CE1 3.99Å; F332-F358 HydrophobicContact CB-CG 4.07Å; F332-F358 HydrophobicContact CD2-CB 3.55Å; F332-F358 HydrophobicContact CD2-CD1 4.23Å; F332-F358 HydrophobicContact CD2-CD2 4.05Å; F332-F358 AromaticContact CD2-CG 3.71Å; F332-F358 HydrophobicContact CD2-CG 3.71Å; F332-F358 HydrophobicContact CE2-CB 4.21Å; F332-F358 HydrophobicContact CG-CB 4.42Å; F332-F358 HydrophobicContact CG-CD1 4.46Å; F332-F358 HydrophobicContact CG-CG 4.37Å; A335-F358 HydrophobicContact CB-CE2 4.25Å; V354-F358 HydrophobicContact CG1-CD2 4.33Å; V354-F358 WeakPolarHBondContact O-CB 3.46Å; V354-F358 WeakPolarHBondContact O-CD2 3.38Å; V354-F358 PolarHBondContact O-N 3.41Å; F358-R365 HydrophobicContact CD1-CB 3.79Å; F358-R365 VanDerWaalsContact CD1-O 3.29Å; F358-R365 WeakPolarHBondContact CD1-O 3.48Å; F358-R365 HydrophobicContact CE1-CB 3.83Å; F358-W366 WeakPolarHBondContact O-CA 3.24Å; F358-V367 HydrophobicContact CB-CG1 4.44Å; F358-V367 HydrophobicContact CB-CG2 4.21Å; F358-V367 HydrophobicContact CD1-CG1 4.12Å; F358-V367 PolarHBondContact O-N 3.47Å; F358-V367 VanDerWaalsContact O-N 3.08Å
359	L	95.8	Very high	94.6	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.031	34%	0.338	C	S	.	.	I	π-helix	trans	-113.7	-26.4	-169.3	-56.8	-179.7	0	0	0	114.1	F332 Y355 V367 I369 M374 T377 I381 M389	F332-L359 HydrophobicContact CE2-CD1 4.28Å; F332-L359 HydrophobicContact CE2-CD2 3.92Å; F332-L359 HydrophobicContact CE2-CG 4.13Å; F332-L359 HydrophobicContact CZ-CD2 4.25Å; Y355-L359 HydrophobicContact CD2-CB 3.86Å; Y355-L359 HydrophobicContact CE2-CB 4.36Å; Y355-L359 CarbonylContact O-C 3.57Å; Y355-L359 PolarHBondContact O-N 3.47Å; L359-V367 HydrophobicContact CD2-CG2 3.65Å; L359-I369 HydrophobicContact CD2-CD1 3.54Å; L359-M374 HydrophobicContact CB-CE 4.46Å; L359-M374 HydrophobicContact CB-SD 4.39Å; L359-M374 HydrophobicContact CD2-CE 4.08Å; L359-T377 HydrophobicContact CD1-CG2 3.9Å; L359-I381 HydrophobicContact CD1-CD1 4.4Å; L359-M389 HydrophobicContact CD1-CE 4.44Å; L359-M389 HydrophobicContact CD1-SD 4.17Å
360	A	93.9	Very high	94.5	Very high	16 Å²	16	60.6 Å²	60.6	13%	0.132	33%	0.328	C	S	.	.	S	Bend	trans	-61	145.5	-179.2	0	0	0	0	0	111.3	Y355 G362 A363	Y355-A360 HydrophobicContact CD1-CB 4.49Å; Y355-A360 HydrophobicContact CE1-CB 4.06Å; Y355-A360 HydrophobicContact CE2-CB 4.42Å; Y355-A360 PolarHBondContact O-N 3.42Å; A360-G362 PolarHBondContact O-N 2.91Å; A360-G362 VanDerWaalsContact O-N 3.15Å; A360-A363 HydrophobicContact CB-CB 4.43Å; A360-A363 WeakPolarHBondContact O-CB 3.35Å; A360-A363 PolarHBondContact O-N 3.36Å
361	P	91.8	Very high	94.3	Very high	122 Å²	122	62.6 Å²	62.6	79%	0.792	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	121.5	173.6	-24.5	34.2	0	0	0	110.9
362	G	90.9	Very high	94.3	Very high	80 Å²	80	69.6 Å²	69.6	83%	0.825	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	15.5	-176.7	0	0	0	0	0	115.1	A360	A360-G362 PolarHBondContact O-N 2.91Å; A360-G362 VanDerWaalsContact O-N 3.15Å
363	A	93.5	Very high	94.3	Very high	14 Å²	14	66 Å²	66	12%	0.116	36%	0.363	C	S	.	.			trans	-55.6	141	174.9	0	0	0	0	0	112.2	R356 A360 R365 W366	R356-A363 WeakPolarHBondContact O-CB 3.34Å; A360-A363 HydrophobicContact CB-CB 4.43Å; A360-A363 WeakPolarHBondContact O-CB 3.35Å; A360-A363 PolarHBondContact O-N 3.36Å; A363-R365 PolarHBondContact O-N 2.92Å; A363-R365 VanDerWaalsContact O-N 3.15Å; A363-W366 HydrophobicContact CB-CB 4.33Å; A363-W366 WeakPolarHBondContact O-CB 3.41Å; A363-W366 PolarHBondContact O-N 2.91Å
364	A	88.8	Confident	94.3	Very high	101 Å²	101	64.9 Å²	64.9	84%	0.835	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.1	-177	0	0	0	0	0	113.4
365	R	93.3	Very high	94.2	Very high	86 Å²	86	69.7 Å²	69.7	33%	0.325	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	45.3	-179.9	-47.8	-175.7	74.2	167.1	19.8	110.4	E328 H331 N357 F358 A363 V367	E328-R365 HydrophobicContact CB-CB 3.99Å; H331-R365 PolarHBondContact CD2-NH1 3.16Å; H331-R365 PolarHBondContact CD2-NH2 3.18Å; H331-R365 VanDerWaalsContact CG-CZ 3.49Å; H331-R365 VanDerWaalsContact CG-NH2 3.31Å; H331-R365 PolarHBondContact ND1-NH1 3.39Å; H331-R365 PolarHBondContact NE2-NH2 3.49Å; N357-R365 WeakPolarHBondContact O-CB 3.39Å; N357-R365 PolarHBondContact O-N 3.14Å; F358-R365 HydrophobicContact CD1-CB 3.79Å; F358-R365 VanDerWaalsContact CD1-O 3.29Å; F358-R365 WeakPolarHBondContact CD1-O 3.48Å; F358-R365 HydrophobicContact CE1-CB 3.83Å; A363-R365 PolarHBondContact O-N 2.92Å; A363-R365 VanDerWaalsContact O-N 3.15Å; R365-V367 PolarHBondContact O-N 3.17Å
366	W	92.9	Very high	94.1	Very high	156 Å²	156	71.2 Å²	71.2	59%	0.591	39%	0.39	S	S	*	.			trans	-58.1	123.7	-173.2	-174.8	56.7	0	0	0	112.1	F358 A363	F358-W366 WeakPolarHBondContact O-CA 3.24Å; A363-W366 HydrophobicContact CB-CB 4.33Å; A363-W366 WeakPolarHBondContact O-CB 3.41Å; A363-W366 PolarHBondContact O-N 2.91Å
367	V	95.4	Very high	94.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	37%	0.366	C	S	.	.			trans	-96.6	146.3	178.4	-67.2	0	0	0	0	111.6	E328 F332 F358 L359 R365 I369 I396	E328-V367 HydrophobicContact CB-CG1 4.34Å; E328-V367 HydrophobicContact CG-CG1 4.03Å; F332-V367 HydrophobicContact CB-CG1 3.78Å; F332-V367 HydrophobicContact CD2-CG2 4.24Å; F332-V367 HydrophobicContact CE2-CG2 4.48Å; F332-V367 HydrophobicContact CG-CG1 4.13Å; F332-V367 HydrophobicContact CG-CG2 4.24Å; F358-V367 HydrophobicContact CB-CG1 4.44Å; F358-V367 HydrophobicContact CB-CG2 4.21Å; F358-V367 HydrophobicContact CD1-CG1 4.12Å; F358-V367 PolarHBondContact O-N 3.47Å; F358-V367 VanDerWaalsContact O-N 3.08Å; L359-V367 HydrophobicContact CD2-CG2 3.65Å; R365-V367 PolarHBondContact O-N 3.17Å; V367-I369 HydrophobicContact CG2-CD1 3.76Å; V367-I369 HydrophobicContact CG2-CG1 3.99Å; V367-I369 PolarHBondContact O-N 3.03Å; V367-I396 HydrophobicContact CB-CD1 4Å; V367-I396 HydrophobicContact CG2-CD1 4.43Å
368	N	91.9	Very high	94	Very high	108 Å²	108	64 Å²	64	58%	0.578	36%	0.363	S	S	*	.			trans	-85.6	111.3	178.4	-172.2	12.3	0	0	0	111	I396	N368-I396 WeakPolarHBondContact O-CD1 3.32Å
369	I	94.6	Very high	93.9	Very high	16 Å²	16	69 Å²	69	8%	0.082	39%	0.386	C	S	.	.			trans	-129.8	141.4	179.2	-59.8	179.7	0	0	0	108.8	F332 L359 V367 T373 M374 A392 I396	F332-I369 HydrophobicContact CE1-CD1 4.36Å; F332-I369 HydrophobicContact CZ-CD1 4.24Å; L359-I369 HydrophobicContact CD2-CD1 3.54Å; V367-I369 HydrophobicContact CG2-CD1 3.76Å; V367-I369 HydrophobicContact CG2-CG1 3.99Å; V367-I369 PolarHBondContact O-N 3.03Å; I369-T373 HydrophobicContact CG2-CG2 3.49Å; I369-T373 VanDerWaalsContact CG2-CG2 3.49Å; I369-M374 HydrophobicContact CB-CE 4.37Å; I369-A392 HydrophobicContact CD1-CB 3.82Å; I369-I396 HydrophobicContact CD1-CG1 4.28Å; I369-I396 HydrophobicContact CG1-CD1 3.85Å; I369-I396 HydrophobicContact CG1-CG1 4.09Å
370	D	94.1	Very high	93.8	Very high	62 Å²	62	69.8 Å²	69.8	33%	0.332	40%	0.395	S	S	.	.			trans	-63.2	148.2	176.5	74.8	88.5	0	0	0	112.5	K372 T373 M374 H395	D370-K372 VanDerWaalsContact C-N 3.25Å; D370-K372 PolarHBondContact O-N 2.92Å; D370-K372 VanDerWaalsContact O-N 3.15Å; D370-K372 WeakPolarHBondContact OD1-CB 3.34Å; D370-K372 PolarHBondContact OD1-N 2.71Å; D370-T373 VanDerWaalsContact CG-OG1 3.28Å; D370-T373 PolarHBondContact O-N 3.31Å; D370-T373 PolarHBondContact OD1-N 3.07Å; D370-T373 PolarHBondContact OD1-OG1 3.18Å; D370-T373 WeakPolarHBondContact OD2-CB 3.44Å; D370-T373 PolarHBondContact OD2-OG1 3.2Å; D370-M374 PolarHBondContact O-N 2.99Å; D370-H395 IonicContact OD2-CE1 2.71Å; D370-H395 PolarHBondContact OD2-CE1 3.47Å; D370-H395 IonicContact OD2-CG 3.74Å; D370-H395 IonicContact OD2-ND1 3.38Å; D370-H395 PolarHBondContact OD2-ND1 3.06Å
371	S	93.8	Very high	93.9	Very high	93 Å²	93	70.4 Å²	70.4	65%	0.65	40%	0.396	S	S	*	.	H	α-helix	trans	-55.4	-38.6	-173.4	-50.3	0	0	0	0	113.2	T373 M374 D375	S371-T373 PolarHBondContact O-N 2.6Å; S371-M374 PolarHBondContact O-N 2.48Å; S371-D375 PolarHBondContact O-N 3.01Å
372	K	95.6	Very high	94	Very high	146 Å²	146	71.5 Å²	71.5	64%	0.635	39%	0.388	S	S	*	.	H	α-helix	trans	-66.6	-41	-179.1	-179.7	-176.4	-179.9	179.9	0	111.6	D370 K376	D370-K372 VanDerWaalsContact C-N 3.25Å; D370-K372 PolarHBondContact O-N 2.92Å; D370-K372 VanDerWaalsContact O-N 3.15Å; D370-K372 WeakPolarHBondContact OD1-CB 3.34Å; D370-K372 PolarHBondContact OD1-N 2.71Å; K372-K376 WeakPolarHBondContact O-CG 3.35Å; K372-K376 PolarHBondContact O-N 2.7Å
373	T	95.9	Very high	94.1	Very high	18 Å²	18	77.9 Å²	77.9	11%	0.11	39%	0.387	C	S	.	.	H	α-helix	trans	-68.9	-39.2	175.9	-59.9	0	0	0	0	111.1	I369 D370 S371 T377 D391 A392 H395	I369-T373 HydrophobicContact CG2-CG2 3.49Å; I369-T373 VanDerWaalsContact CG2-CG2 3.49Å; D370-T373 VanDerWaalsContact CG-OG1 3.28Å; D370-T373 PolarHBondContact O-N 3.31Å; D370-T373 PolarHBondContact OD1-N 3.07Å; D370-T373 PolarHBondContact OD1-OG1 3.18Å; D370-T373 WeakPolarHBondContact OD2-CB 3.44Å; D370-T373 PolarHBondContact OD2-OG1 3.2Å; S371-T373 PolarHBondContact O-N 2.6Å; T373-T377 WeakPolarHBondContact O-CB 3.09Å; T373-T377 PolarHBondContact O-N 3.38Å; T373-T377 PolarHBondContact O-OG1 2.9Å; T373-D391 HydrophobicContact CG2-CB 4.1Å; T373-A392 HydrophobicContact CG2-CB 4.16Å; T373-H395 HydrophobicContact CG2-CB 4.32Å
374	M	95.4	Very high	94.1	Very high	30 Å²	30	79.3 Å²	79.3	15%	0.148	40%	0.395	C	S	.	.	H	α-helix	trans	-60	-52.2	174.4	-175.2	63.4	75.6	0	0	111.3	L359 I369 D370 S371 K376 T377 L378	L359-M374 HydrophobicContact CB-CE 4.46Å; L359-M374 HydrophobicContact CB-SD 4.39Å; L359-M374 HydrophobicContact CD2-CE 4.08Å; I369-M374 HydrophobicContact CB-CE 4.37Å; D370-M374 PolarHBondContact O-N 2.99Å; S371-M374 PolarHBondContact O-N 2.48Å; M374-K376 VanDerWaalsContact C-N 3.33Å; M374-K376 PolarHBondContact O-N 3.43Å; M374-T377 WeakPolarHBondContact O-CB 3.33Å; M374-T377 PolarHBondContact O-N 3.46Å; M374-L378 HydrophobicContact CG-CD1 3.99Å; M374-L378 HydrophobicContact CG-CG 4.27Å; M374-L378 WeakPolarHBondContact O-CG 3.36Å; M374-L378 PolarHBondContact O-N 3.2Å; M374-L378 HydrophobicContact SD-CD1 4.37Å; M374-L378 HydrophobicContact SD-CD2 4.36Å; M374-L378 HydrophobicContact SD-CG 4.2Å
375	D	95.2	Very high	94.4	Very high	107 Å²	107	78.9 Å²	78.9	57%	0.572	38%	0.376	S	S	*	.	H	α-helix	trans	-56.9	-45	-178.1	-68.7	-23.5	0	0	0	112.3	S371 T377 L378 E379	S371-D375 PolarHBondContact O-N 3.01Å; D375-T377 VanDerWaalsContact C-N 3.35Å; D375-T377 PolarHBondContact O-N 2.94Å; D375-L378 PolarHBondContact O-N 3.36Å; D375-E379 PolarHBondContact O-N 3.46Å
376	K	95.1	Very high	94.5	Very high	106 Å²	106	77.6 Å²	77.6	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-42.3	175.4	-75.4	175.3	164.7	-169.1	0	112.6	K372 M374 E379 G380 D391	K372-K376 WeakPolarHBondContact O-CG 3.35Å; K372-K376 PolarHBondContact O-N 2.7Å; M374-K376 VanDerWaalsContact C-N 3.33Å; M374-K376 PolarHBondContact O-N 3.43Å; K376-E379 PolarHBondContact O-N 2.98Å; K376-G380 PolarHBondContact O-N 3.46Å; K376-D391 WeakPolarHBondContact CD-OD2 3.41Å; K376-D391 IonicContact NZ-OD2 3.84Å; K376-D391 PolarHBondContact NZ-OD2 3.48Å
377	T	95.5	Very high	94.7	Very high	2 Å²	2	75.6 Å²	75.6	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-65.6	-43.7	-179.3	-54.9	0	0	0	0	109.8	L359 T373 M374 D375 E379 G380 I381 M389 A392	L359-T377 HydrophobicContact CD1-CG2 3.9Å; T373-T377 WeakPolarHBondContact O-CB 3.09Å; T373-T377 PolarHBondContact O-N 3.38Å; T373-T377 PolarHBondContact O-OG1 2.9Å; M374-T377 WeakPolarHBondContact O-CB 3.33Å; M374-T377 PolarHBondContact O-N 3.46Å; D375-T377 VanDerWaalsContact C-N 3.35Å; D375-T377 PolarHBondContact O-N 2.94Å; T377-E379 PolarHBondContact O-N 2.86Å; T377-G380 PolarHBondContact O-N 3.24Å; T377-I381 HydrophobicContact CG2-CD1 3.92Å; T377-I381 HydrophobicContact CG2-CG1 4.43Å; T377-I381 WeakPolarHBondContact O-CD1 3.25Å; T377-I381 WeakPolarHBondContact O-CG1 3.37Å; T377-I381 PolarHBondContact O-N 3.46Å; T377-M389 HydrophobicContact CG2-SD 3.77Å; T377-A392 HydrophobicContact CG2-CB 4.31Å
378	L	94.6	Very high	94.7	Very high	64 Å²	64	76.1 Å²	76.1	34%	0.335	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-39	176.3	-65.1	178.2	0	0	0	112.6	Y355 M374 D375	Y355-L378 HydrophobicContact CD2-CD2 4.02Å; Y355-L378 HydrophobicContact CE2-CD2 3.45Å; Y355-L378 VanDerWaalsContact CE2-CD2 3.45Å; M374-L378 HydrophobicContact CG-CD1 3.99Å; M374-L378 HydrophobicContact CG-CG 4.27Å; M374-L378 WeakPolarHBondContact O-CG 3.36Å; M374-L378 PolarHBondContact O-N 3.2Å; M374-L378 HydrophobicContact SD-CD1 4.37Å; M374-L378 HydrophobicContact SD-CD2 4.36Å; M374-L378 HydrophobicContact SD-CG 4.2Å; D375-L378 PolarHBondContact O-N 3.36Å
379	E	94.9	Very high	94.9	Very high	117 Å²	117	71.1 Å²	71.1	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-42.5	173.6	-172.2	58.8	-147.7	0	0	111.5	D375 K376 T377 I381 K382	D375-E379 PolarHBondContact O-N 3.46Å; K376-E379 PolarHBondContact O-N 2.98Å; T377-E379 PolarHBondContact O-N 2.86Å; E379-I381 PolarHBondContact O-N 3.48Å; E379-K382 WeakPolarHBondContact O-CB 3.41Å; E379-K382 PolarHBondContact O-N 2.88Å; E379-K382 IonicContact OE1-NZ 2.64Å; E379-K382 WeakPolarHBondContact OE2-CE 3.29Å; E379-K382 IonicContact OE2-NZ 3.5Å; E379-K382 PolarHBondContact OE2-NZ 3.1Å
380	G	92.9	Very high	95	Very high	21 Å²	21	72.3 Å²	72.3	22%	0.216	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-39.4	177.2	0	0	0	0	0	113.2	K376 T377 K382 R383 V388	K376-G380 PolarHBondContact O-N 3.46Å; T377-G380 PolarHBondContact O-N 3.24Å; G380-K382 PolarHBondContact O-N 3Å; G380-K382 VanDerWaalsContact O-N 3.14Å; G380-R383 CarbonylContact O-C 3.57Å; G380-R383 PolarHBondContact O-N 3.14Å; G380-R383 VanDerWaalsContact O-O 3.1Å; G380-V388 VanDerWaalsContact O-CG2 3.32Å; G380-V388 WeakPolarHBondContact O-CG2 3.44Å
381	I	94.8	Very high	95.1	Very high	29 Å²	29	73.1 Å²	73.1	15%	0.149	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-24.3	179.5	-71.5	162.3	0	0	0	111.8	V351 Y355 L359 T377 E379 R383 P384 V388 M389	V351-I381 HydrophobicContact CG1-CB 4.44Å; V351-I381 HydrophobicContact CG1-CG1 3.96Å; V351-I381 HydrophobicContact CG1-CG2 4.11Å; Y355-I381 HydrophobicContact CD2-CD1 3.9Å; Y355-I381 HydrophobicContact CG-CD1 4.33Å; L359-I381 HydrophobicContact CD1-CD1 4.4Å; T377-I381 HydrophobicContact CG2-CD1 3.92Å; T377-I381 HydrophobicContact CG2-CG1 4.43Å; T377-I381 WeakPolarHBondContact O-CD1 3.25Å; T377-I381 WeakPolarHBondContact O-CG1 3.37Å; T377-I381 PolarHBondContact O-N 3.46Å; E379-I381 PolarHBondContact O-N 3.48Å; I381-R383 PolarHBondContact O-N 3.13Å; I381-P384 VanDerWaalsContact O-CD 3.24Å; I381-P384 WeakPolarHBondContact O-CD 3.43Å; I381-P384 VanDerWaalsContact O-CG 3.32Å; I381-P384 WeakPolarHBondContact O-CG 3.46Å; I381-V388 HydrophobicContact CG1-CG2 4.34Å; I381-M389 HydrophobicContact CD1-CE 3.91Å; I381-M389 HydrophobicContact CG1-CE 3.97Å
382	K	94.1	Very high	95.3	Very high	146 Å²	146	68.7 Å²	68.7	64%	0.635	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.6	173.1	-61	175.8	-177.3	170.7	0	113	E379 G380	E379-K382 WeakPolarHBondContact O-CB 3.41Å; E379-K382 PolarHBondContact O-N 2.88Å; E379-K382 IonicContact OE1-NZ 2.64Å; E379-K382 WeakPolarHBondContact OE2-CE 3.29Å; E379-K382 IonicContact OE2-NZ 3.5Å; E379-K382 PolarHBondContact OE2-NZ 3.1Å; G380-K382 PolarHBondContact O-N 3Å; G380-K382 VanDerWaalsContact O-N 3.14Å
383	R	93.9	Very high	95.4	Very high	213 Å²	213	62.1 Å²	62.1	80%	0.804	30%	0.295	S	S	*	.	S	Bend	trans	-133.9	76.5	174.8	-66.6	-175.5	177.6	-177.6	-0.2	109.3	G380 I381 H385	G380-R383 CarbonylContact O-C 3.57Å; G380-R383 PolarHBondContact O-N 3.14Å; G380-R383 VanDerWaalsContact O-O 3.1Å; I381-R383 PolarHBondContact O-N 3.13Å; R383-H385 PolarHBondContact O-CD2 3.04Å; R383-H385 PolarHBondContact O-N 2.97Å
384	P	94.1	Very high	95.5	Very high	44 Å²	44	65.8 Å²	65.8	29%	0.286	31%	0.312	S	S	.	.			trans	-55.7	130.9	-174.1	-24.7	34.2	0	0	0	112.2	I347 I348 V351 I381	I347-P384 HydrophobicContact CG2-CB 4.44Å; I348-P384 HydrophobicContact CG1-CB 4.23Å; I348-P384 HydrophobicContact CG1-CG 4.41Å; I348-P384 HydrophobicContact CG2-CG 4.47Å; V351-P384 HydrophobicContact CB-CB 4.27Å; V351-P384 HydrophobicContact CG1-CB 4.13Å; V351-P384 HydrophobicContact CG1-CG 4.3Å; V351-P384 HydrophobicContact CG2-CB 4.3Å; I381-P384 VanDerWaalsContact O-CD 3.24Å; I381-P384 WeakPolarHBondContact O-CD 3.43Å; I381-P384 VanDerWaalsContact O-CG 3.32Å; I381-P384 WeakPolarHBondContact O-CG 3.46Å
385	H	94.4	Very high	95.6	Very high	92 Å²	92	67 Å²	67	43%	0.426	32%	0.317	S	S	.	.			trans	-146.1	168.4	170.8	65.2	88.6	0	0	0	109.7	R383 F387 V388	R383-H385 PolarHBondContact O-CD2 3.04Å; R383-H385 PolarHBondContact O-N 2.97Å; H385-F387 VanDerWaalsContact CE1-C 3.45Å; H385-F387 PolarHBondContact ND1-N 3.29Å; H385-F387 PolarHBondContact O-N 2.83Å; H385-V388 PolarHBondContact CE1-N 3.3Å; H385-V388 WeakPolarHBondContact O-CB 3.35Å; H385-V388 VanDerWaalsContact O-CG1 3.27Å; H385-V388 WeakPolarHBondContact O-CG1 3.2Å; H385-V388 PolarHBondContact O-N 3.45Å
386	R	95.6	Very high	95.7	Very high	59 Å²	59	62 Å²	62	22%	0.223	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-21.5	-173.3	-172.5	171.9	-71.6	-80.7	-1.5	115.8	I339 R340 G342 S344 I347	I339-R386 PolarHBondContact O-NH1 3.12Å; R340-R386 VanDerWaalsContact C-NH1 3.28Å; R340-R386 WeakPolarHBondContact O-CD 3.49Å; R340-R386 VanDerWaalsContact O-CG 3.31Å; R340-R386 WeakPolarHBondContact O-CG 2.95Å; R340-R386 PolarHBondContact O-NH1 2.59Å; G342-R386 PolarHBondContact O-NH1 2.67Å; G342-R386 PolarHBondContact O-NH2 2.84Å; S344-R386 PolarHBondContact OG-NH2 3.04Å; I347-R386 HydrophobicContact CD1-CB 4.2Å
387	F	96.4	Very high	95.8	Very high	114 Å²	114	58.1 Å²	58.1	50%	0.5	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	9.6	-173.5	-52.1	-67	0	0	0	112.5	H385 M389 D390	H385-F387 VanDerWaalsContact CE1-C 3.45Å; H385-F387 PolarHBondContact ND1-N 3.29Å; H385-F387 PolarHBondContact O-N 2.83Å; F387-M389 PolarHBondContact O-N 3.15Å; F387-D390 WeakPolarHBondContact CB-OD2 3.36Å; F387-D390 WeakPolarHBondContact O-CB 3.21Å; F387-D390 PolarHBondContact O-N 3.41Å
388	V	96.3	Very high	95.9	Very high	12 Å²	12	62 Å²	62	7%	0.073	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.7	-172.8	72.6	0	0	0	0	112.9	V351 G380 I381 H385	V351-V388 HydrophobicContact CG1-CG1 4.16Å; V351-V388 HydrophobicContact CG2-CG1 3.62Å; G380-V388 VanDerWaalsContact O-CG2 3.32Å; G380-V388 WeakPolarHBondContact O-CG2 3.44Å; I381-V388 HydrophobicContact CG1-CG2 4.34Å; H385-V388 PolarHBondContact CE1-N 3.3Å; H385-V388 WeakPolarHBondContact O-CB 3.35Å; H385-V388 VanDerWaalsContact O-CG1 3.27Å; H385-V388 WeakPolarHBondContact O-CG1 3.2Å; H385-V388 PolarHBondContact O-N 3.45Å
389	M	96.2	Very high	96	Very high	3 Å²	3	62 Å²	62	2%	0.015	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	0.5	-179.5	-62.9	-63.6	173.2	0	0	113.7	C336 I339 V351 V354 L359 T377 I381 F387 D391 A392 Q393	C336-M389 HydrophobicContact CB-CB 4.25Å; I339-M389 HydrophobicContact CD1-CG 4.02Å; V351-M389 HydrophobicContact CB-CE 4.47Å; V351-M389 HydrophobicContact CG1-CE 3.91Å; V354-M389 HydrophobicContact CB-CE 4.13Å; V354-M389 HydrophobicContact CG1-CE 3.82Å; V354-M389 HydrophobicContact CG1-SD 4.05Å; L359-M389 HydrophobicContact CD1-CE 4.44Å; L359-M389 HydrophobicContact CD1-SD 4.17Å; T377-M389 HydrophobicContact CG2-SD 3.77Å; I381-M389 HydrophobicContact CD1-CE 3.91Å; I381-M389 HydrophobicContact CG1-CE 3.97Å; F387-M389 PolarHBondContact O-N 3.15Å; M389-D391 PolarHBondContact O-N 3.5Å; M389-A392 PolarHBondContact O-N 3.27Å; M389-Q393 VanDerWaalsContact O-CB 3.25Å; M389-Q393 WeakPolarHBondContact O-CB 3.49Å; M389-Q393 PolarHBondContact O-N 2.96Å
390	D	96.5	Very high	96.1	Very high	41 Å²	41	56.4 Å²	56.4	22%	0.219	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-45.2	-168.4	-81.1	3.5	0	0	0	113.3	R340 F387 M394	R340-D390 IonicContact CZ-OD1 3.99Å; R340-D390 IonicContact CZ-OD2 2.7Å; R340-D390 IonicContact NE-OD1 3.47Å; R340-D390 PolarHBondContact NE-OD1 3.23Å; R340-D390 IonicContact NH2-OD1 3.59Å; R340-D390 PolarHBondContact NH2-OD1 3.41Å; R340-D390 IonicContact NH2-OD2 2.88Å; R340-D390 PolarHBondContact NH2-OD2 3.15Å; F387-D390 WeakPolarHBondContact CB-OD2 3.36Å; F387-D390 WeakPolarHBondContact O-CB 3.21Å; F387-D390 PolarHBondContact O-N 3.41Å; D390-M394 VanDerWaalsContact O-CB 3.23Å; D390-M394 WeakPolarHBondContact O-CB 3.34Å; D390-M394 PolarHBondContact O-N 3.37Å
391	D	96.3	Very high	96.4	Very high	78 Å²	78	59.3 Å²	59.3	42%	0.417	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-44.9	179.9	-81.7	-0.3	0	0	0	110.8	T373 K376 M389 M394 H395	T373-D391 HydrophobicContact CG2-CB 4.1Å; K376-D391 WeakPolarHBondContact CD-OD2 3.41Å; K376-D391 IonicContact NZ-OD2 3.84Å; K376-D391 PolarHBondContact NZ-OD2 3.48Å; M389-D391 PolarHBondContact O-N 3.5Å; D391-M394 PolarHBondContact O-N 2.99Å; D391-H395 PolarHBondContact O-N 3.14Å
392	A	97.2	Very high	96.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-45.3	178.1	0	0	0	0	0	112.5	F332 I369 T373 T377 M389 M394 H395 I396	F332-A392 HydrophobicContact CE1-CB 4.17Å; F332-A392 HydrophobicContact CZ-CB 3.81Å; I369-A392 HydrophobicContact CD1-CB 3.82Å; T373-A392 HydrophobicContact CG2-CB 4.16Å; T377-A392 HydrophobicContact CG2-CB 4.31Å; M389-A392 PolarHBondContact O-N 3.27Å; A392-M394 VanDerWaalsContact C-N 3.32Å; A392-M394 PolarHBondContact O-N 3.4Å; A392-H395 WeakPolarHBondContact O-CB 3.31Å; A392-H395 PolarHBondContact O-N 2.94Å; A392-I396 PolarHBondContact O-N 3.4Å; A392-I396 VanDerWaalsContact O-N 3.07Å
393	Q	97.8	Very high	96.6	Very high	9 Å²	9	62.3 Å²	62.3	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-43.7	176.4	-173	-172.1	27.4	0	0	111.2	W333 C336 E337 M389 H395 I396 Y397	W333-Q393 HydrophobicContact CG-CG 4.34Å; W333-Q393 PolarHBondContact O-NE2 3.29Å; C336-Q393 HydrophobicContact CB-CB 3.85Å; C336-Q393 VanDerWaalsContact CB-CD 3.41Å; C336-Q393 HydrophobicContact CB-CG 3.6Å; E337-Q393 PolarHBondContact OE1-NE2 3.14Å; M389-Q393 VanDerWaalsContact O-CB 3.25Å; M389-Q393 WeakPolarHBondContact O-CB 3.49Å; M389-Q393 PolarHBondContact O-N 2.96Å; Q393-H395 VanDerWaalsContact C-N 3.35Å; Q393-I396 PolarHBondContact O-N 2.91Å; Q393-Y397 VanDerWaalsContact O-CB 3.3Å; Q393-Y397 WeakPolarHBondContact O-CB 3.47Å; Q393-Y397 PolarHBondContact O-N 2.78Å
394	M	97.4	Very high	96.7	Very high	95 Å²	95	52.4 Å²	52.4	47%	0.468	25%	0.249	S	C	.	.	H	α-helix	trans	-64.9	-39.2	177.9	-169.9	64.1	65.8	0	0	111.7	D390 D391 A392 Y397 F398	D390-M394 VanDerWaalsContact O-CB 3.23Å; D390-M394 WeakPolarHBondContact O-CB 3.34Å; D390-M394 PolarHBondContact O-N 3.37Å; D391-M394 PolarHBondContact O-N 2.99Å; A392-M394 VanDerWaalsContact C-N 3.32Å; A392-M394 PolarHBondContact O-N 3.4Å; M394-Y397 PolarHBondContact O-N 3.07Å; M394-Y397 HydrophobicContact SD-CD1 4.22Å; M394-F398 HydrophobicContact CG-CD2 3.82Å; M394-F398 HydrophobicContact CG-CE2 3.69Å; M394-F398 VanDerWaalsContact O-CD2 3.28Å; M394-F398 WeakPolarHBondContact O-CD2 3.2Å; M394-F398 PolarHBondContact O-N 3.03Å; M394-F398 HydrophobicContact SD-CD2 3.9Å; M394-F398 HydrophobicContact SD-CE2 3.42Å; M394-F398 WeakPolarHBondContact SD-CE2 3.45Å; M394-F398 HydrophobicContact SD-CZ 4.26Å
395	H	97.5	Very high	96.9	Very high	56 Å²	56	51.2 Å²	51.2	26%	0.259	24%	0.239	S	C	.	.	H	α-helix	trans	-57.7	-53.4	174.7	-174.9	98.4	0	0	0	111	D370 T373 D391 A392 Q393 Y397 F398 L399	D370-H395 IonicContact OD2-CE1 2.71Å; D370-H395 PolarHBondContact OD2-CE1 3.47Å; D370-H395 IonicContact OD2-CG 3.74Å; D370-H395 IonicContact OD2-ND1 3.38Å; D370-H395 PolarHBondContact OD2-ND1 3.06Å; T373-H395 HydrophobicContact CG2-CB 4.32Å; D391-H395 PolarHBondContact O-N 3.14Å; A392-H395 WeakPolarHBondContact O-CB 3.31Å; A392-H395 PolarHBondContact O-N 2.94Å; Q393-H395 VanDerWaalsContact C-N 3.35Å; H395-Y397 PolarHBondContact O-N 3.45Å; H395-F398 PolarHBondContact O-N 2.82Å; H395-L399 PolarHBondContact O-N 2.91Å
396	I	97.8	Very high	97.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-37.7	-179.8	-64.6	-62.1	0	0	0	112	N329 F332 V367 N368 I369 A392 Q393 F398 L399 M400	N329-I396 HydrophobicContact CB-CG2 3.81Å; N329-I396 VanDerWaalsContact O-CG2 3.31Å; N329-I396 WeakPolarHBondContact O-CG2 3.38Å; F332-I396 HydrophobicContact CD1-CB 4.01Å; F332-I396 HydrophobicContact CD1-CG1 3.67Å; F332-I396 HydrophobicContact CD1-CG2 4.14Å; F332-I396 HydrophobicContact CE1-CB 4.3Å; F332-I396 HydrophobicContact CE1-CG1 3.78Å; V367-I396 HydrophobicContact CB-CD1 4Å; V367-I396 HydrophobicContact CG2-CD1 4.43Å; N368-I396 WeakPolarHBondContact O-CD1 3.32Å; I369-I396 HydrophobicContact CD1-CG1 4.28Å; I369-I396 HydrophobicContact CG1-CD1 3.85Å; I369-I396 HydrophobicContact CG1-CG1 4.09Å; A392-I396 PolarHBondContact O-N 3.4Å; A392-I396 VanDerWaalsContact O-N 3.07Å; Q393-I396 PolarHBondContact O-N 2.91Å; I396-F398 PolarHBondContact O-N 3.31Å; I396-L399 HydrophobicContact CD1-CD2 4.2Å; I396-L399 WeakPolarHBondContact O-CB 3.4Å; I396-L399 PolarHBondContact O-N 2.98Å; I396-M400 HydrophobicContact CG2-CE 4.04Å; I396-M400 PolarHBondContact O-N 2.99Å
397	Y	97.9	Very high	97.2	Very high	25 Å²	25	50.6 Å²	50.6	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-48	172.2	169.6	-91.6	0	0	0	111.8	F304 M305 L308 W333 Q393 M394 H395 M400 K401	F304-Y397 AromaticContact CD1-CD2 3.72Å; F304-Y397 HydrophobicContact CD1-CD2 3.72Å; F304-Y397 AromaticContact CD1-CE2 3.34Å; F304-Y397 HydrophobicContact CD1-CE2 3.34Å; F304-Y397 HydrophobicContact CD1-CG 4.48Å; F304-Y397 AromaticContact CD1-CZ 3.83Å; F304-Y397 AromaticContact CE1-CD2 3.69Å; F304-Y397 HydrophobicContact CE1-CD2 3.69Å; F304-Y397 AromaticContact CE1-CE2 3.82Å; F304-Y397 HydrophobicContact CE1-CE2 3.82Å; F304-Y397 HydrophobicContact CE1-CG 4.4Å; F304-Y397 WeakPolarHBondContact CE1-O 3.42Å; F304-Y397 HydrophobicContact CG-CE2 4.3Å; M305-Y397 HydrophobicContact CG-CE2 4.1Å; M305-Y397 WeakPolarHBondContact CG-OH 3.39Å; M305-Y397 HydrophobicContact SD-CD2 4.28Å; M305-Y397 HydrophobicContact SD-CE2 3.39Å; M305-Y397 WeakPolarHBondContact SD-CE2 3.49Å; L308-Y397 HydrophobicContact CD1-CD2 3.92Å; L308-Y397 HydrophobicContact CD1-CE2 3.98Å; W333-Y397 AromaticContact NE1-CD2 4Å; Q393-Y397 VanDerWaalsContact O-CB 3.3Å; Q393-Y397 WeakPolarHBondContact O-CB 3.47Å; Q393-Y397 PolarHBondContact O-N 2.78Å; M394-Y397 PolarHBondContact O-N 3.07Å; M394-Y397 HydrophobicContact SD-CD1 4.22Å; H395-Y397 PolarHBondContact O-N 3.45Å; Y397-M400 PolarHBondContact O-N 2.86Å; Y397-K401 HydrophobicContact CE1-CD 3.71Å; Y397-K401 WeakPolarHBondContact O-CB 3.45Å; Y397-K401 PolarHBondContact O-N 3.5Å
398	F	97.5	Very high	97.3	Very high	85 Å²	85	45.2 Å²	45.2	37%	0.373	22%	0.215	S	C	.	.	H	α-helix	trans	-71.1	-30.6	179.7	-83	-63.1	0	0	0	113.4	M394 H395 I396 K401 K402	M394-F398 HydrophobicContact CG-CD2 3.82Å; M394-F398 HydrophobicContact CG-CE2 3.69Å; M394-F398 VanDerWaalsContact O-CD2 3.28Å; M394-F398 WeakPolarHBondContact O-CD2 3.2Å; M394-F398 PolarHBondContact O-N 3.03Å; M394-F398 HydrophobicContact SD-CD2 3.9Å; M394-F398 HydrophobicContact SD-CE2 3.42Å; M394-F398 WeakPolarHBondContact SD-CE2 3.45Å; M394-F398 HydrophobicContact SD-CZ 4.26Å; H395-F398 PolarHBondContact O-N 2.82Å; I396-F398 PolarHBondContact O-N 3.31Å; F398-K401 HydrophobicContact CD1-CD 4.11Å; F398-K401 HydrophobicContact CE1-CD 4.2Å; F398-K402 WeakPolarHBondContact O-CB 3.29Å; F398-K402 VanDerWaalsContact O-CG 3.29Å; F398-K402 WeakPolarHBondContact O-CG 3.38Å; F398-K402 PolarHBondContact O-N 2.86Å
399	L	96.6	Very high	97.4	Very high	63 Å²	63	46.5 Å²	46.5	33%	0.33	22%	0.221	S	C	.	.	H	α-helix	trans	-58.1	-56.6	171.2	179.7	65.8	0	0	0	109.9	H395 I396 K401 K402 D403	H395-L399 PolarHBondContact O-N 2.91Å; I396-L399 HydrophobicContact CD1-CD2 4.2Å; I396-L399 WeakPolarHBondContact O-CB 3.4Å; I396-L399 PolarHBondContact O-N 2.98Å; L399-K401 PolarHBondContact O-N 3.33Å; L399-K402 PolarHBondContact O-N 3.13Å; L399-D403 PolarHBondContact O-N 3.38Å; L399-D403 VanDerWaalsContact O-N 3.1Å
400	M	97.6	Very high	97.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-41.3	178	-67.3	-171.9	-68.1	0	0	112.3	F304 F317 L321 N329 L330 W333 I396 Y397 K402 D403 S404 Y405	F304-M400 HydrophobicContact CE1-CB 3.75Å; F304-M400 HydrophobicContact CE1-CE 4.27Å; F304-M400 HydrophobicContact CZ-CB 3.52Å; F304-M400 HydrophobicContact CZ-CE 4.02Å; F304-M400 HydrophobicContact CZ-SD 4.29Å; F317-M400 HydrophobicContact CE1-SD 4.12Å; L321-M400 HydrophobicContact CD1-SD 4.31Å; N329-M400 HydrophobicContact CB-CG 3.91Å; N329-M400 HydrophobicContact CB-SD 3.71Å; L330-M400 HydrophobicContact CB-SD 4.14Å; W333-M400 HydrophobicContact CB-CE 4.04Å; W333-M400 HydrophobicContact CG-CE 4.34Å; I396-M400 HydrophobicContact CG2-CE 4.04Å; I396-M400 PolarHBondContact O-N 2.99Å; Y397-M400 PolarHBondContact O-N 2.86Å; M400-K402 VanDerWaalsContact C-N 3.3Å; M400-K402 PolarHBondContact O-N 3.28Å; M400-D403 PolarHBondContact O-N 2.87Å; M400-S404 PolarHBondContact O-N 3.42Å; M400-S404 VanDerWaalsContact O-N 3.16Å; M400-Y405 WeakPolarHBondContact O-CB 3.33Å; M400-Y405 PolarHBondContact O-N 2.87Å
401	K	98	Very high	97.5	Very high	82 Å²	82	52.6 Å²	52.6	36%	0.357	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-37.8	-179.9	-175.6	173.1	178.9	173.5	0	113	F304 Y397 F398 L399 P406	F304-K401 HydrophobicContact CB-CB 4.39Å; F304-K401 HydrophobicContact CB-CD 4.42Å; F304-K401 HydrophobicContact CB-CG 3.99Å; F304-K401 HydrophobicContact CD1-CB 3.6Å; F304-K401 HydrophobicContact CD1-CG 4.11Å; F304-K401 HydrophobicContact CE1-CB 4.18Å; F304-K401 HydrophobicContact CG-CB 4.23Å; F304-K401 HydrophobicContact CG-CG 4.37Å; Y397-K401 HydrophobicContact CE1-CD 3.71Å; Y397-K401 WeakPolarHBondContact O-CB 3.45Å; Y397-K401 PolarHBondContact O-N 3.5Å; F398-K401 HydrophobicContact CD1-CD 4.11Å; F398-K401 HydrophobicContact CE1-CD 4.2Å; L399-K401 PolarHBondContact O-N 3.33Å; K401-P406 VanDerWaalsContact O-CD 3.27Å; K401-P406 WeakPolarHBondContact O-CD 3.34Å
402	K	97	Very high	97.6	Very high	164 Å²	164	54.2 Å²	54.2	71%	0.713	26%	0.257	S	S	*	.	H	α-helix	trans	-87.9	-26.1	-175.3	-71.5	177.7	-179.9	178	0	112.9	F398 L399 M400	F398-K402 WeakPolarHBondContact O-CB 3.29Å; F398-K402 VanDerWaalsContact O-CG 3.29Å; F398-K402 WeakPolarHBondContact O-CG 3.38Å; F398-K402 PolarHBondContact O-N 2.86Å; L399-K402 PolarHBondContact O-N 3.13Å; M400-K402 VanDerWaalsContact C-N 3.3Å; M400-K402 PolarHBondContact O-N 3.28Å
403	D	96.1	Very high	97.5	Very high	74 Å²	74	56.1 Å²	56.1	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-73	-173.9	-176.8	35.5	0	0	0	113	L399 M400 Y405 P406 R407	L399-D403 PolarHBondContact O-N 3.38Å; L399-D403 VanDerWaalsContact O-N 3.1Å; M400-D403 PolarHBondContact O-N 2.87Å; D403-Y405 PolarHBondContact O-N 3.44Å; D403-P406 WeakPolarHBondContact O-CD 3.49Å; D403-R407 VanDerWaalsContact CG-NH2 3.29Å; D403-R407 WeakPolarHBondContact O-CG 3.46Å; D403-R407 PolarHBondContact O-N 3.19Å; D403-R407 IonicContact OD1-CZ 2.77Å; D403-R407 IonicContact OD1-NE 3.39Å; D403-R407 PolarHBondContact OD1-NE 2.92Å; D403-R407 IonicContact OD1-NH2 3.49Å; D403-R407 PolarHBondContact OD1-NH2 3.46Å; D403-R407 IonicContact OD2-CZ 3.54Å; D403-R407 IonicContact OD2-NE 3.4Å; D403-R407 IonicContact OD2-NH2 3.48Å; D403-R407 PolarHBondContact OD2-NH2 3.15Å
404	S	97.4	Very high	97.5	Very high	5 Å²	5	56.5 Å²	56.5	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-39.6	-173.4	-46.3	0	0	0	0	113.9	M400 R407 Y408	M400-S404 PolarHBondContact O-N 3.42Å; M400-S404 VanDerWaalsContact O-N 3.16Å; S404-R407 PolarHBondContact O-N 2.91Å; S404-Y408 WeakPolarHBondContact O-CB 3.5Å; S404-Y408 PolarHBondContact O-N 3.08Å
405	Y	98.4	Very high	97.5	Very high	19 Å²	19	57.1 Å²	57.1	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-50.1	-177	168.8	-109.9	0	0	0	113.2	W300 S301 S303 F304 L307 M400 D403 R407 Y408 L409	W300-Y405 PolarHBondContact O-OH 3.25Å; S301-Y405 WeakPolarHBondContact CA-OH 3.44Å; S301-Y405 PolarHBondContact O-OH 3.01Å; S303-Y405 VanDerWaalsContact C-OH 3.22Å; S303-Y405 PolarHBondContact O-OH 3.21Å; F304-Y405 HydrophobicContact CB-CD1 3.89Å; F304-Y405 HydrophobicContact CB-CD2 4.33Å; F304-Y405 HydrophobicContact CB-CE1 4.04Å; F304-Y405 HydrophobicContact CB-CE2 4.42Å; F304-Y405 HydrophobicContact CB-CG 4.04Å; F304-Y405 HydrophobicContact CD2-CD1 4.27Å; F304-Y405 AromaticContact CD2-CD2 3.47Å; F304-Y405 HydrophobicContact CD2-CD2 3.47Å; F304-Y405 VanDerWaalsContact CD2-CD2 3.47Å; F304-Y405 HydrophobicContact CD2-CE2 4.12Å; F304-Y405 AromaticContact CD2-CG 3.53Å; F304-Y405 HydrophobicContact CD2-CG 3.53Å; F304-Y405 HydrophobicContact CE2-CD2 4.21Å; F304-Y405 HydrophobicContact CE2-CG 4.28Å; F304-Y405 HydrophobicContact CG-CD1 4.34Å; F304-Y405 HydrophobicContact CG-CD2 4.29Å; F304-Y405 HydrophobicContact CG-CG 4.03Å; L307-Y405 HydrophobicContact CB-CE2 4.09Å; L307-Y405 HydrophobicContact CD2-CD2 3.52Å; L307-Y405 HydrophobicContact CD2-CE2 3.73Å; M400-Y405 WeakPolarHBondContact O-CB 3.33Å; M400-Y405 PolarHBondContact O-N 2.87Å; D403-Y405 PolarHBondContact O-N 3.44Å; Y405-R407 VanDerWaalsContact C-N 3.26Å; Y405-R407 PolarHBondContact O-N 3.24Å; Y405-Y408 WeakPolarHBondContact O-CB 3.4Å; Y405-Y408 PolarHBondContact O-N 3.47Å; Y405-L409 HydrophobicContact CD2-CG 4.35Å; Y405-L409 HydrophobicContact CE1-CD1 3.92Å; Y405-L409 HydrophobicContact CE2-CD1 3.94Å; Y405-L409 HydrophobicContact CE2-CD2 4.05Å; Y405-L409 HydrophobicContact CE2-CG 3.97Å; Y405-L409 PolarHBondContact O-N 3.35Å
406	P	98.2	Very high	97.4	Very high	47 Å²	47	58.8 Å²	58.8	31%	0.305	28%	0.279	S	S	.	.	H	α-helix	trans	-59	-34.5	173	-26.7	34.4	0	0	0	113.8	K401 D403 K410	K401-P406 VanDerWaalsContact O-CD 3.27Å; K401-P406 WeakPolarHBondContact O-CD 3.34Å; D403-P406 WeakPolarHBondContact O-CD 3.49Å; P406-K410 WeakPolarHBondContact O-CG 3.25Å; P406-K410 PolarHBondContact O-N 3.42Å
407	R	98.1	Very high	97.3	Very high	91 Å²	91	60.2 Å²	60.2	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-70.8	-42.8	176.1	-66.3	-169.7	-78	126.4	-0.7	111.4	Y320 E324 D403 S404 Y405 L409 K410 S411	Y320-R407 WeakPolarHBondContact OH-CB 3.29Å; E324-R407 IonicContact OE1-CZ 3.55Å; E324-R407 IonicContact OE1-NH1 2.78Å; E324-R407 PolarHBondContact OE1-NH1 3.37Å; E324-R407 IonicContact OE2-CZ 3.43Å; E324-R407 IonicContact OE2-NH1 2.65Å; E324-R407 PolarHBondContact OE2-NH1 3.27Å; E324-R407 IonicContact OE2-NH2 3.28Å; E324-R407 PolarHBondContact OE2-NH2 3.47Å; D403-R407 VanDerWaalsContact CG-NH2 3.29Å; D403-R407 WeakPolarHBondContact O-CG 3.46Å; D403-R407 PolarHBondContact O-N 3.19Å; D403-R407 IonicContact OD1-CZ 2.77Å; D403-R407 IonicContact OD1-NE 3.39Å; D403-R407 PolarHBondContact OD1-NE 2.92Å; D403-R407 IonicContact OD1-NH2 3.49Å; D403-R407 PolarHBondContact OD1-NH2 3.46Å; D403-R407 IonicContact OD2-CZ 3.54Å; D403-R407 IonicContact OD2-NE 3.4Å; D403-R407 IonicContact OD2-NH2 3.48Å; D403-R407 PolarHBondContact OD2-NH2 3.15Å; S404-R407 PolarHBondContact O-N 2.91Å; Y405-R407 VanDerWaalsContact C-N 3.26Å; Y405-R407 PolarHBondContact O-N 3.24Å; R407-L409 PolarHBondContact O-N 2.86Å; R407-K410 CarbonylContact O-C 3.3Å; R407-K410 PolarHBondContact O-N 3.3Å; R407-S411 PolarHBondContact O-N 3.27Å
408	Y	98.3	Very high	97.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-54.6	-48.5	172.4	167.5	-107.4	0	0	0	112.4	L307 E316 F317 Y320 S404 Y405 K410 S411 L413 Y414	L307-Y408 HydrophobicContact CD1-CE1 3.72Å; L307-Y408 HydrophobicContact CD2-CD1 3.82Å; L307-Y408 HydrophobicContact CD2-CE1 3.78Å; L307-Y408 HydrophobicContact CG-CE1 4.44Å; E316-Y408 WeakPolarHBondContact CB-OH 3.33Å; F317-Y408 AromaticContact CD2-CD1 3.91Å; F317-Y408 HydrophobicContact CD2-CD1 3.91Å; F317-Y408 AromaticContact CD2-CD2 3.99Å; F317-Y408 HydrophobicContact CD2-CD2 3.99Å; F317-Y408 AromaticContact CD2-CG 3.61Å; F317-Y408 HydrophobicContact CD2-CG 3.61Å; F317-Y408 HydrophobicContact CE2-CD1 4.48Å; F317-Y408 HydrophobicContact CE2-CG 4.09Å; Y320-Y408 HydrophobicContact CD1-CD2 4.16Å; Y320-Y408 HydrophobicContact CD1-CG 4.44Å; Y320-Y408 HydrophobicContact CD2-CD2 4.08Å; Y320-Y408 AromaticContact CG-CD2 3.71Å; Y320-Y408 HydrophobicContact CG-CD2 3.71Å; Y320-Y408 HydrophobicContact CG-CG 4.41Å; S404-Y408 WeakPolarHBondContact O-CB 3.5Å; S404-Y408 PolarHBondContact O-N 3.08Å; Y405-Y408 WeakPolarHBondContact O-CB 3.4Å; Y405-Y408 PolarHBondContact O-N 3.47Å; Y408-K410 PolarHBondContact O-N 3.08Å; Y408-K410 VanDerWaalsContact O-N 3.16Å; Y408-S411 VanDerWaalsContact O-CB 3.27Å; Y408-S411 WeakPolarHBondContact O-CB 3.43Å; Y408-S411 PolarHBondContact O-N 2.88Å; Y408-S411 PolarHBondContact O-OG 3.02Å; Y408-L413 HydrophobicContact CE2-CD2 4.27Å; Y408-Y414 AromaticContact CE1-CD2 3.88Å; Y408-Y414 HydrophobicContact CE1-CD2 3.88Å; Y408-Y414 HydrophobicContact CE1-CG 4.41Å; Y408-Y414 VanDerWaalsContact O-CB 3.26Å; Y408-Y414 WeakPolarHBondContact O-CB 3.47Å
409	L	98.1	Very high	97.2	Very high	39 Å²	39	60.4 Å²	60.4	20%	0.204	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-22.8	179.2	-66.7	-177.1	0	0	0	113.6	Y405 R407 Y414	Y405-L409 HydrophobicContact CD2-CG 4.35Å; Y405-L409 HydrophobicContact CE1-CD1 3.92Å; Y405-L409 HydrophobicContact CE2-CD1 3.94Å; Y405-L409 HydrophobicContact CE2-CD2 4.05Å; Y405-L409 HydrophobicContact CE2-CG 3.97Å; Y405-L409 PolarHBondContact O-N 3.35Å; R407-L409 PolarHBondContact O-N 2.86Å; L409-Y414 HydrophobicContact CD2-CD1 4.31Å; L409-Y414 HydrophobicContact CD2-CD2 4.1Å; L409-Y414 HydrophobicContact CD2-CE1 4.17Å; L409-Y414 HydrophobicContact CD2-CE2 3.95Å; L409-Y414 HydrophobicContact CD2-CG 4.27Å; L409-Y414 WeakPolarHBondContact O-CD1 3.37Å
410	K	97.6	Very high	97.1	Very high	155 Å²	155	64.9 Å²	64.9	67%	0.674	32%	0.32	S	S	*	.	H	α-helix	trans	-92.5	-14.5	176.2	-68	175	-177.1	177.9	0	113.1	P406 R407 Y408 K415	P406-K410 WeakPolarHBondContact O-CG 3.25Å; P406-K410 PolarHBondContact O-N 3.42Å; R407-K410 CarbonylContact O-C 3.3Å; R407-K410 PolarHBondContact O-N 3.3Å; Y408-K410 PolarHBondContact O-N 3.08Å; Y408-K410 VanDerWaalsContact O-N 3.16Å; K410-K415 VanDerWaalsContact O-CE 3.23Å; K410-K415 WeakPolarHBondContact O-CE 3.47Å; K410-K415 PolarHBondContact O-NZ 3.03Å
411	S	97.6	Very high	97	Very high	18 Å²	18	65.4 Å²	65.4	13%	0.126	33%	0.325	C	S	.	.	S	Bend	trans	-67.8	157.3	-176.4	77.4	0	0	0	0	112.6	R407 Y408 L413 Y414 K415	R407-S411 PolarHBondContact O-N 3.27Å; Y408-S411 VanDerWaalsContact O-CB 3.27Å; Y408-S411 WeakPolarHBondContact O-CB 3.43Å; Y408-S411 PolarHBondContact O-N 2.88Å; Y408-S411 PolarHBondContact O-OG 3.02Å; S411-L413 PolarHBondContact O-N 2.96Å; S411-L413 PolarHBondContact OG-N 3.35Å; S411-Y414 PolarHBondContact O-N 3Å; S411-Y414 PolarHBondContact OG-N 3.45Å; S411-K415 WeakPolarHBondContact O-CG 3.39Å; S411-K415 PolarHBondContact O-N 3.09Å
412	D	97.1	Very high	96.8	Very high	112 Å²	112	64.5 Å²	64.5	60%	0.599	33%	0.326	S	S	*	.	H	α-helix	trans	-66	-24.1	173.1	-62.7	-34.1	0	0	0	111.8	N416	D412-N416 WeakPolarHBondContact O-CB 3.39Å; D412-N416 PolarHBondContact O-N 2.82Å; D412-N416 PolarHBondContact O-ND2 2.87Å
413	L	95.6	Very high	96.6	Very high	39 Å²	39	60.5 Å²	60.5	20%	0.204	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-51.8	177.2	-170.4	68.7	0	0	0	110.9	E316 T319 Y408 S411 N416 M417	E316-L413 WeakPolarHBondContact O-CD2 3.41Å; T319-L413 HydrophobicContact CG2-CD2 4.42Å; Y408-L413 HydrophobicContact CE2-CD2 4.27Å; S411-L413 PolarHBondContact O-N 2.96Å; S411-L413 PolarHBondContact OG-N 3.35Å; L413-N416 PolarHBondContact O-N 3.47Å; L413-M417 WeakPolarHBondContact O-CB 3.08Å; L413-M417 PolarHBondContact O-N 2.87Å
414	Y	97.6	Very high	96.3	Very high	17 Å²	17	57.8 Å²	57.8	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-45.3	177.6	176.5	-103.1	0	0	0	111.9	V297 W300 Y408 L409 S411 N416 M417 L418	V297-Y414 HydrophobicContact CG1-CD2 4.37Å; V297-Y414 HydrophobicContact CG1-CE2 3.76Å; V297-Y414 PolarHBondContact O-OH 3.3Å; W300-Y414 HydrophobicContact CE3-CD2 4.47Å; W300-Y414 HydrophobicContact CE3-CE2 4.31Å; Y408-Y414 AromaticContact CE1-CD2 3.88Å; Y408-Y414 HydrophobicContact CE1-CD2 3.88Å; Y408-Y414 HydrophobicContact CE1-CG 4.41Å; Y408-Y414 VanDerWaalsContact O-CB 3.26Å; Y408-Y414 WeakPolarHBondContact O-CB 3.47Å; L409-Y414 HydrophobicContact CD2-CD1 4.31Å; L409-Y414 HydrophobicContact CD2-CD2 4.1Å; L409-Y414 HydrophobicContact CD2-CE1 4.17Å; L409-Y414 HydrophobicContact CD2-CE2 3.95Å; L409-Y414 HydrophobicContact CD2-CG 4.27Å; L409-Y414 WeakPolarHBondContact O-CD1 3.37Å; S411-Y414 PolarHBondContact O-N 3Å; S411-Y414 PolarHBondContact OG-N 3.45Å; Y414-N416 VanDerWaalsContact C-N 3.33Å; Y414-N416 PolarHBondContact O-N 2.75Å; Y414-M417 PolarHBondContact O-N 3.34Å; Y414-L418 HydrophobicContact CE1-CD2 4.37Å; Y414-L418 WeakPolarHBondContact O-CB 3.45Å; Y414-L418 PolarHBondContact O-N 3.18Å
415	K	97.1	Very high	95.8	Very high	109 Å²	109	64.9 Å²	64.9	47%	0.474	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-42.6	178.4	-71	169.4	177.6	159	0	112.1	K410 S411 L418 A419	K410-K415 VanDerWaalsContact O-CE 3.23Å; K410-K415 WeakPolarHBondContact O-CE 3.47Å; K410-K415 PolarHBondContact O-NZ 3.03Å; S411-K415 WeakPolarHBondContact O-CG 3.39Å; S411-K415 PolarHBondContact O-N 3.09Å; K415-L418 PolarHBondContact O-N 2.96Å; K415-A419 WeakPolarHBondContact O-CB 3.28Å; K415-A419 PolarHBondContact O-N 2.96Å
416	N	96.3	Very high	95	Very high	90 Å²	90	70.5 Å²	70.5	48%	0.481	36%	0.361	S	S	.	.	H	α-helix	trans	-67.9	-37.8	176.8	-71.5	-29.3	0	0	0	111.8	D412 L413 Y414 A419 K420	D412-N416 WeakPolarHBondContact O-CB 3.39Å; D412-N416 PolarHBondContact O-N 2.82Å; D412-N416 PolarHBondContact O-ND2 2.87Å; L413-N416 PolarHBondContact O-N 3.47Å; Y414-N416 VanDerWaalsContact C-N 3.33Å; Y414-N416 PolarHBondContact O-N 2.75Å; N416-A419 PolarHBondContact O-N 2.87Å; N416-K420 WeakPolarHBondContact O-CB 3.5Å; N416-K420 VanDerWaalsContact O-CG 3.29Å; N416-K420 WeakPolarHBondContact O-CG 3.37Å; N416-K420 PolarHBondContact O-N 3.47Å
417	M	95.7	Very high	93.8	Very high	30 Å²	30	71.2 Å²	71.2	15%	0.148	37%	0.365	C	S	.	.	H	α-helix	trans	-62.1	-46.5	173.7	-175.4	55.4	74	0	0	110.8	P292 V297 W300 E316 L413 Y414 A419 K420 A421	P292-M417 HydrophobicContact CG-CG 4.48Å; P292-M417 HydrophobicContact CG-SD 3.85Å; V297-M417 HydrophobicContact CG1-CG 4.13Å; V297-M417 HydrophobicContact CG2-CG 4.08Å; W300-M417 HydrophobicContact CH2-CG 4.32Å; W300-M417 HydrophobicContact CZ3-CG 3.98Å; E316-M417 HydrophobicContact CG-CE 3.69Å; E316-M417 WeakPolarHBondContact OE1-CE 3.29Å; E316-M417 VanDerWaalsContact OE2-CE 3.3Å; E316-M417 WeakPolarHBondContact OE2-CE 3.48Å; L413-M417 WeakPolarHBondContact O-CB 3.08Å; L413-M417 PolarHBondContact O-N 2.87Å; Y414-M417 PolarHBondContact O-N 3.34Å; M417-A419 VanDerWaalsContact C-N 3.33Å; M417-A419 PolarHBondContact O-N 2.82Å; M417-K420 PolarHBondContact O-N 3.25Å; M417-A421 WeakPolarHBondContact O-CB 3.43Å; M417-A421 PolarHBondContact O-N 3.04Å
418	L	96.3	Very high	91.8	Very high	34 Å²	34	76.8 Å²	76.8	18%	0.178	39%	0.391	C	S	.	.	H	α-helix	trans	-63.5	-36.9	177.7	-176.2	62.9	0	0	0	112.7	R294 V297 E298 Y414 K415	R294-L418 HydrophobicContact CG-CD1 3.99Å; V297-L418 HydrophobicContact CB-CD1 4.24Å; V297-L418 HydrophobicContact CG1-CB 4.12Å; V297-L418 HydrophobicContact CG1-CD1 4.02Å; E298-L418 HydrophobicContact CG-CD1 3.54Å; Y414-L418 HydrophobicContact CE1-CD2 4.37Å; Y414-L418 WeakPolarHBondContact O-CB 3.45Å; Y414-L418 PolarHBondContact O-N 3.18Å; K415-L418 PolarHBondContact O-N 2.96Å
419	A	96	Very high	89.6	Confident	81 Å²	81	85 Å²	85	67%	0.669	43%	0.427	S	S	*	.	H	α-helix	trans	-70.3	-32.7	176.9	0	0	0	0	0	112.9	K415 N416 M417	K415-A419 WeakPolarHBondContact O-CB 3.28Å; K415-A419 PolarHBondContact O-N 2.96Å; N416-A419 PolarHBondContact O-N 2.87Å; M417-A419 VanDerWaalsContact C-N 3.33Å; M417-A419 PolarHBondContact O-N 2.82Å
420	K	95	Very high	86.9	Confident	156 Å²	156	87.7 Å²	87.7	68%	0.678	45%	0.449	S	S	*	.	H	α-helix	trans	-85.4	-17.2	177.9	-69.8	175.6	-177.1	-178.7	0	113.5	V291 N416 M417	V291-K420 VanDerWaalsContact CG1-O 3.27Å; V291-K420 WeakPolarHBondContact CG1-O 3.48Å; N416-K420 WeakPolarHBondContact O-CB 3.5Å; N416-K420 VanDerWaalsContact O-CG 3.29Å; N416-K420 WeakPolarHBondContact O-CG 3.37Å; N416-K420 PolarHBondContact O-N 3.47Å; M417-K420 PolarHBondContact O-N 3.25Å
421	A	95.7	Very high	84.1	Confident	11 Å²	11	86.2 Å²	86.2	9%	0.091	45%	0.453	C	S	.	.	S	Bend	trans	-60.4	139.8	-174.6	0	0	0	0	0	112.1	P292 R294 V297 M417	P292-A421 WeakPolarHBondContact O-CA 3.45Å; P292-A421 WeakPolarHBondContact O-CB 3.46Å; R294-A421 HydrophobicContact CB-CB 4.03Å; V297-A421 HydrophobicContact CB-CB 4.46Å; V297-A421 HydrophobicContact CG2-CB 3.93Å; M417-A421 WeakPolarHBondContact O-CB 3.43Å; M417-A421 PolarHBondContact O-N 3.04Å
422	V	94.1	Very high	81.2	Confident	63 Å²	63	93.9 Å²	93.9	38%	0.382	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-73.6	131.9	-175.1	-179.2	0	0	0	0	109.8	V291 P292 T293 R294 P424	V291-V422 HydrophobicContact CB-CG2 4.07Å; V291-V422 HydrophobicContact CG1-CG2 3.77Å; P292-V422 PolarHBondContact O-N 3.38Å; T293-V422 CarbonylContact C-O 3.5Å; T293-V422 VanDerWaalsContact CA-O 3.3Å; T293-V422 WeakPolarHBondContact CA-O 3.38Å; R294-V422 PolarHBondContact N-O 3.46Å; V422-P424 WeakPolarHBondContact O-CD 3.27Å
423	V	92.9	Very high	78.4	Confident	80 Å²	80	93.4 Å²	93.4	49%	0.485	49%	0.487	S	S	.	.			trans	-101.4	101.6	163.6	-178.1	0	0	0	0	107	R294 Q425	R294-V423 HydrophobicContact CB-CG2 3.77Å; R294-V423 HydrophobicContact CG-CG2 4.3Å; V423-Q425 PolarHBondContact O-N 3.37Å
424	P	89.5	Confident	75.9	Confident	18 Å²	18	101.2 Å²	101.2	12%	0.117	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-60.4	135.2	178.6	-19.8	32.5	0	0	0	109.7	L269 M284 T293 V422	L269-P424 HydrophobicContact CB-CB 4.02Å; L269-P424 WeakPolarHBondContact CD1-O 3.47Å; M284-P424 HydrophobicContact SD-CB 3.87Å; M284-P424 HydrophobicContact SD-CG 3.73Å; T293-P424 HydrophobicContact CG2-CG 4.12Å; V422-P424 WeakPolarHBondContact O-CD 3.27Å
425	Q	87.6	Confident	73	Confident	154 Å²	154	109 Å²	109	72%	0.72	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-79.4	149.1	173.2	-65.6	-64.5	-40.3	0	0	109.5	P270 V423 T427	P270-Q425 WeakPolarHBondContact CB-O 3.21Å; V423-Q425 PolarHBondContact O-N 3.37Å; Q425-T427 PolarHBondContact O-N 2.63Å
426	E	80	Confident	70.3	Confident	136 Å²	136	115.3 Å²	115.3	64%	0.636	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.8	125.2	169.1	-78.6	-173.3	-173.2	0	0	109.2	L269 K428	L269-E426 HydrophobicContact CD2-CB 4.37Å; L269-E426 HydrophobicContact CD2-CG 3.27Å; E426-K428 PolarHBondContact O-N 3.21Å
427	T	73.6	Confident	67.7	Low	62 Å²	62	119.6 Å²	119.6	38%	0.38	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-63.3	122.3	165.5	42	0	0	0	0	106.8	P270 Q425 K429	P270-T427 HydrophobicContact CB-CG2 3.82Å; P270-T427 PolarHBondContact O-N 3.29Å; P270-T427 PolarHBondContact O-OG1 3.39Å; P270-T427 VanDerWaalsContact O-OG1 3.11Å; Q425-T427 PolarHBondContact O-N 2.63Å; T427-K429 PolarHBondContact O-N 3.03Å
428	K	56.5	Low	65	Low	209 Å²	209	125.5 Å²	125.5	91%	0.909	62%	0.616	S	S	*	*			trans	-51.9	111.2	177.3	-73.3	-175.5	-179.4	179.6	0	107.2	E426 S430	E426-K428 PolarHBondContact O-N 3.21Å; K428-S430 PolarHBondContact O-N 3.24Å
429	K	51.1	Low	62.3	Low	173 Å²	173	135.5 Å²	135.5	75%	0.752	65%	0.652	S	S	*	*			trans	-49.2	117	173.9	-66.7	178.1	-177.3	172.8	0	106.3	T427 V431	T427-K429 PolarHBondContact O-N 3.03Å; K429-V431 VanDerWaalsContact C-N 3.33Å; K429-V431 WeakPolarHBondContact O-CG2 3.11Å; K429-V431 PolarHBondContact O-N 3.35Å
430	S	42.2	Very low	59.6	Low	94 Å²	94	139 Å²	139	66%	0.657	65%	0.654	S	S	*	*			trans	-55.9	109.7	161.8	179.5	0	0	0	0	105.3	K428 F432	K428-S430 PolarHBondContact O-N 3.24Å; S430-F432 PolarHBondContact O-N 3.01Å; S430-F432 WeakPolarHBondContact OG-CD2 3.44Å
431	V	39	Very low	56.8	Low	125 Å²	125	136.9 Å²	136.9	76%	0.758	66%	0.659	S	S	*	*			trans	-71	77.4	-175	-173.5	0	0	0	0	107.9	K429	K429-V431 VanDerWaalsContact C-N 3.33Å; K429-V431 WeakPolarHBondContact O-CG2 3.11Å; K429-V431 PolarHBondContact O-N 3.35Å
432	F	37	Very low	54.2	Low	179 Å²	179	141.3 Å²	141.3	79%	0.785	69%	0.689	S	S	*	*			trans	-105.5	99.9	157.4	-78.1	-73.4	0	0	0	107	S430 F434	S430-F432 PolarHBondContact O-N 3.01Å; S430-F432 WeakPolarHBondContact OG-CD2 3.44Å; F432-F434 PolarHBondContact O-N 3.17Å
433	P	37.4	Very low	51.8	Low	101 Å²	101	142.8 Å²	142.8	66%	0.656	70%	0.7	S	S	*	*			trans	-67.6	125.9	177.7	28.4	-30.3	0	0	0	108.6
434	F	43.8	Very low	49.3	Very low	203 Å²	203	142 Å²	142	89%	0.89	70%	0.698	S	S	*	*			trans	47.1	78.6	160.3	-74.5	-94.3	0	0	0	116.8	F432	F432-F434 PolarHBondContact O-N 3.17Å
435	M	35.6	Very low	47.1	Very low	180 Å²	180	146.8 Å²	146.8	89%	0.887	73%	0.729	S	S	*	*				-114.4	126.4	124.9	-65.1	-140.6	117.6	0	0	106.6	R437	M435-R437 PolarHBondContact O-N 3.02Å
436	R	42	Very low	45.1	Very low	242 Å²	242	143.4 Å²	143.4	91%	0.913	73%	0.728	S	S	*	*			trans	-52.4	100.1	154	-89.6	-179.4	179	172.2	0.6	104.5	Q438	R436-Q438 PolarHBondContact O-N 3.4Å
437	R	41.3	Very low	43.3	Very low	180 Å²	180	142.6 Å²	142.6	68%	0.679	72%	0.724	S	S	*	*			trans	-49	122.9	161	-101.6	-179.2	174.3	-175.1	-5.8	104.3	D277 M435 R439	D277-R437 IonicContact OD2-CZ 2.82Å; D277-R437 IonicContact OD2-NH1 3.74Å; D277-R437 PolarHBondContact OD2-NH1 3.48Å; M435-R437 PolarHBondContact O-N 3.02Å; R437-R439 PolarHBondContact O-N 3.27Å
438	Q	38.2	Very low	41.9	Very low	155 Å²	155	142.4 Å²	142.4	72%	0.724	73%	0.728	S	S	*	*			trans	-49.2	121.9	169.9	-95.1	178.4	-27	0	0	105.9	R436 H440	R436-Q438 PolarHBondContact O-N 3.4Å; Q438-H440 PolarHBondContact O-CD2 3.48Å; Q438-H440 PolarHBondContact O-N 3.08Å
439	R	39.4	Very low	41.2	Very low	243 Å²	243	135 Å²	135	92%	0.917	71%	0.711	S	S	*	*			trans	-62.1	93.3	168.7	-70.2	-179.3	177.4	178.9	-1.8	105.2	R437 S441	R437-R439 PolarHBondContact O-N 3.27Å; R439-S441 PolarHBondContact O-N 3.44Å
440	H	39.6	Very low	41	Very low	154 Å²	154	129.5 Å²	129.5	71%	0.713	70%	0.699	S	S	*	*			trans	-66.3	117.2	166.7	-67.9	-67.5	0	0	0	105.2	Q438 S442	Q438-H440 PolarHBondContact O-CD2 3.48Å; Q438-H440 PolarHBondContact O-N 3.08Å; H440-S442 PolarHBondContact O-N 3.38Å
441	S	37	Very low	40.9	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	70%	0.696	S	S	*	*			trans	-54.3	115.6	163.8	-45.3	0	0	0	0	106.1	R439	R439-S441 PolarHBondContact O-N 3.44Å
442	S	41.4	Very low	41.1	Very low	104 Å²	104	128.1 Å²	128.1	73%	0.727	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-52.9	127.9	165.5	-51.8	0	0	0	0	106.5	H440 S444	H440-S442 PolarHBondContact O-N 3.38Å; S442-S444 PolarHBondContact O-N 2.91Å
443	P	43.4	Very low	41.6	Very low	95 Å²	95	122.9 Å²	122.9	62%	0.617	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-55.6	133.7	175.4	21.1	-29	0	0	0	107.6
444	S	39.4	Very low	41.9	Very low	63 Å²	63	125.1 Å²	125.1	44%	0.441	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-55.1	135.1	-179.4	-163.2	0	0	0	0	108.3	S442 A446 Q447	S442-S444 PolarHBondContact O-N 2.91Å; S444-A446 PolarHBondContact O-N 3.23Å; S444-Q447 PolarHBondContact O-N 2.93Å
445	P	44.5	Very low	41.7	Very low	118 Å²	118	123 Å²	123	77%	0.766	67%	0.668	S	S	*	*	H	α-helix	trans	-53.9	-23.2	176.9	-25.5	32.7	0	0	0	113	Q447	P445-Q447 VanDerWaalsContact C-N 3.32Å; P445-Q447 PolarHBondContact O-N 3.48Å
446	A	44.2	Very low	42	Very low	84 Å²	84	121 Å²	121	69%	0.694	66%	0.661	S	S	*	*	H	α-helix	trans	-68.2	-23.1	173.2	0	0	0	0	0	114.5	S444	S444-A446 PolarHBondContact O-N 3.23Å
447	Q	43.2	Very low	42	Very low	119 Å²	119	112.1 Å²	112.1	56%	0.556	65%	0.645	S	S	*	*	H	α-helix	trans	-91.8	-26.2	179	-69.5	-178.9	-41.3	0	0	112.9	S444 P445 G449 A450 Q451	S444-Q447 PolarHBondContact O-N 2.93Å; P445-Q447 VanDerWaalsContact C-N 3.32Å; P445-Q447 PolarHBondContact O-N 3.48Å; Q447-G449 VanDerWaalsContact C-N 3.31Å; Q447-G449 PolarHBondContact O-N 2.68Å; Q447-A450 PolarHBondContact O-N 3.34Å; Q447-Q451 PolarHBondContact O-N 3.18Å
448	A	43.1	Very low	42	Very low	57 Å²	57	114.1 Å²	114.1	47%	0.471	65%	0.652	S	S	.	*	H	α-helix	trans	-64.4	-35.4	176	0	0	0	0	0	112.2	A450 A452	A448-A450 VanDerWaalsContact C-N 3.33Å; A448-A450 PolarHBondContact O-N 2.95Å; A448-A452 PolarHBondContact O-N 3.06Å
449	G	42.8	Very low	41.9	Very low	53 Å²	53	110.9 Å²	110.9	55%	0.546	65%	0.652	S	S	.	*	H	α-helix	trans	-69.5	-26.4	175.4	0	0	0	0	0	114.3	Q447	Q447-G449 VanDerWaalsContact C-N 3.31Å; Q447-G449 PolarHBondContact O-N 2.68Å
450	A	45.8	Very low	41.9	Very low	59 Å²	59	102.4 Å²	102.4	49%	0.488	64%	0.64	S	S	.	*	H	α-helix	trans	-80.3	-34.2	178.4	0	0	0	0	0	112.3	Q447 A448 A453 E454	Q447-A450 PolarHBondContact O-N 3.34Å; A448-A450 VanDerWaalsContact C-N 3.33Å; A448-A450 PolarHBondContact O-N 2.95Å; A450-A453 PolarHBondContact O-N 2.89Å; A450-E454 PolarHBondContact O-N 2.8Å
451	Q	40.3	Very low	41.6	Very low	130 Å²	130	100.6 Å²	100.6	61%	0.607	64%	0.64	S	S	*	*	H	α-helix	trans	-73.6	-36	177.7	-73	-179.9	-25.5	0	0	112.6	Q447 A453 E454 E455	Q447-Q451 PolarHBondContact O-N 3.18Å; Q451-A453 VanDerWaalsContact C-N 3.26Å; Q451-A453 PolarHBondContact O-N 3.14Å; Q451-E454 PolarHBondContact O-N 3.24Å; Q451-E455 PolarHBondContact O-N 3.01Å; Q451-E455 VanDerWaalsContact O-N 3.17Å
452	A	44.2	Very low	41.5	Very low	60 Å²	60	103 Å²	103	50%	0.496	65%	0.645	S	S	.	*	H	α-helix	trans	-63.2	-33.1	173.4	0	0	0	0	0	112.5	A448 D456	A448-A452 PolarHBondContact O-N 3.06Å; A452-D456 PolarHBondContact O-N 3.19Å
453	A	47.1	Very low	41.2	Very low	69 Å²	69	103.9 Å²	103.9	57%	0.57	65%	0.651	S	S	*	*	H	α-helix	trans	-74.9	-25.7	176.5	0	0	0	0	0	113.5	A450 Q451	A450-A453 PolarHBondContact O-N 2.89Å; Q451-A453 VanDerWaalsContact C-N 3.26Å; Q451-A453 PolarHBondContact O-N 3.14Å
454	E	43.6	Very low	40.8	Very low	148 Å²	148	104.4 Å²	104.4	69%	0.692	66%	0.662	S	S	*	*	H	α-helix	trans	-81.9	-29.2	176	-85.4	-171.4	150.1	0	0	113.4	A450 Q451	A450-E454 PolarHBondContact O-N 2.8Å; Q451-E454 PolarHBondContact O-N 3.24Å
455	E	39.8	Very low	40.5	Very low	158 Å²	158	106.7 Å²	106.7	74%	0.738	69%	0.686	S	S	*	*	H	α-helix	trans	-74	-38.7	175	-84.9	-170.9	151.2	0	0	112.6	Q451 G457 R458 A459	Q451-E455 PolarHBondContact O-N 3.01Å; Q451-E455 VanDerWaalsContact O-N 3.17Å; E455-G457 PolarHBondContact O-N 3.26Å; E455-R458 PolarHBondContact O-N 3.41Å; E455-R458 VanDerWaalsContact O-N 3.17Å; E455-A459 PolarHBondContact O-N 3.37Å
456	D	42.5	Very low	39.6	Very low	137 Å²	137	105 Å²	105	73%	0.733	69%	0.689	S	S	*	*	H	α-helix	trans	-66.3	-25.4	174	-101.1	-11.4	0	0	0	112.6	A452 R458	A452-D456 PolarHBondContact O-N 3.19Å; D456-R458 VanDerWaalsContact C-N 3.34Å
457	G	40.5	Very low	39	Very low	56 Å²	56	106 Å²	106	58%	0.577	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-16.4	175.2	0	0	0	0	0	114.8	E455	E455-G457 PolarHBondContact O-N 3.26Å
458	R	41.1	Very low	38.4	Very low	223 Å²	223	108.5 Å²	108.5	84%	0.842	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-15.7	179.9	-83.9	-178.1	173.1	173	1.1	114.1	E455 D456 G460	E455-R458 PolarHBondContact O-N 3.41Å; E455-R458 VanDerWaalsContact O-N 3.17Å; D456-R458 VanDerWaalsContact C-N 3.34Å; R458-G460 VanDerWaalsContact C-N 3.33Å
459	A	37.4	Very low	38	Very low	86 Å²	86	119 Å²	119	71%	0.711	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-7	177.2	0	0	0	0	0	114.1	E455	E455-A459 PolarHBondContact O-N 3.37Å
460	G	38.8	Very low	37.7	Very low	66 Å²	66	122.3 Å²	122.3	68%	0.68	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	6.2	-171.6	0	0	0	0	0	118.1	R458	R458-G460 VanDerWaalsContact C-N 3.33Å
461	T	34.6	Very low	37.3	Very low	116 Å²	116	125.6 Å²	125.6	71%	0.712	76%	0.761	S	S	*	*	S	Bend	trans	-129.9	30.1	-170.6	47.4	0	0	0	0	116.1
462	N	33.6	Very low	37.1	Very low	163 Å²	163	125.4 Å²	125.4	87%	0.872	77%	0.77	S	S	*	*			trans	-134.7	69.9	171	-90.9	-18.4	0	0	0	112.7
463	S	35.4	Very low	36.7	Very low	122 Å²	122	129.2 Å²	129.2	85%	0.853	79%	0.786	S	S	*	*			trans	-164.1	78.3	157.2	61.4	0	0	0	0	112.1
464	A	34.7	Very low	36.1	Very low	105 Å²	105	133 Å²	133	87%	0.868	80%	0.799	S	S	*	*			trans	-165.3	79.7	158.4	0	0	0	0	0	111.1
465	A	33	Very low	35.6	Very low	112 Å²	112	132 Å²	132	93%	0.926	81%	0.807	S	S	*	*			trans	-157.1	95	158.2	0	0	0	0	0	109
466	G	26.5	Very low	35.3	Very low	82 Å²	82	130.1 Å²	130.1	85%	0.845	81%	0.811	S	S	*	*			trans	-154.6	88.2	175.1	0	0	0	0	0	109.1
467	S	30.5	Very low	34.7	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	82%	0.818	S	S	*	*			trans	-74.4	144.4	179.3	48.4	0	0	0	0	113.2
468	H	31.4	Very low	34.2	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.796	84%	0.838	S	S	*	*			trans	41.2	107.6	141.5	-65.9	-68.4	0	0	0	118.8
469	F	33.9	Very low	33.6	Very low	278 Å²	278	127.8 Å²	127.8	100%	1.219	84%	0.837	S	S	*	*				-166.7	0	93.4	-107.2	-80.7	0	0	0	110.1

Retrieved 469 of 469 residues in 516 ms (Link to these results)

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