A0A060WSR7_ONCMY Loading...

Chloride intracellular channel protein

In the soluble state, catalyzes glutaredoxin-like thiol disulfide exchange reactions with reduced glutathione as electron donor. Displays weak glutathione peroxidase activity. Can insert into membranes and form chloride ion channels. Membrane insertion seems to be redox-regulated and may occur only under oxidizing conditions. Modulates the activity of RYR2 and inhibits calcium influx.

AlphaFold DB , UniProt , Accession A0A060WSR7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 245 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	35.4	Very low	57	Low	247 Å²	247	146.3 Å²	146.3	100%	1.217	75%	0.751	S	S	*	*				0	86.9	0	-147.8	172.3	178.3	0	0	106.7	L3	M1-L3 PolarHBondContact O-N 2.69Å
2	A	37.6	Very low	60.3	Low	100 Å²	100	142.8 Å²	142.8	83%	0.826	74%	0.742	S	S	*	*			trans	-73.1	127.6	-174.6	0	0	0	0	0	109.3	R4	A2-R4 PolarHBondContact O-N 3Å
3	L	41.7	Very low	63.2	Low	168 Å²	168	132.2 Å²	132.2	88%	0.88	69%	0.687	S	S	*	*			trans	-54	110.9	174.9	-75.1	150	0	0	0	109	M1 Q5	M1-L3 PolarHBondContact O-N 2.69Å; L3-Q5 VanDerWaalsContact C-N 3.3Å; L3-Q5 PolarHBondContact O-N 3Å
4	R	43.2	Very low	65.6	Low	246 Å²	246	126.4 Å²	126.4	93%	0.928	66%	0.655	S	S	*	*			trans	-61	98.7	159.7	-76	-177.6	176	-176.6	-1.7	106.3	A2 N6	A2-R4 PolarHBondContact O-N 3Å; R4-N6 PolarHBondContact O-N 3.29Å
5	Q	46.5	Very low	67.7	Low	175 Å²	175	118 Å²	118	82%	0.818	61%	0.611	S	S	*	*			trans	-58.1	131	164.7	-77.7	-177.8	-18.6	0	0	107.2	L3 S7	L3-Q5 VanDerWaalsContact C-N 3.3Å; L3-Q5 PolarHBondContact O-N 3Å; Q5-S7 PolarHBondContact O-N 3.45Å
6	N	44.1	Very low	69.4	Low	161 Å²	161	111 Å²	111	86%	0.861	58%	0.575	S	S	*	*			trans	-43.7	95.5	175.2	-90.3	-22.3	0	0	0	111.1	R4 D8	R4-N6 PolarHBondContact O-N 3.29Å; N6-D8 VanDerWaalsContact C-N 3.27Å; N6-D8 PolarHBondContact O-N 3.1Å
7	S	54.4	Low	71	Confident	98 Å²	98	104.6 Å²	104.6	69%	0.685	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	0.2	-179	57	0	0	0	0	113.4	Q5	Q5-S7 PolarHBondContact O-N 3.45Å
8	D	61.8	Low	72.3	Confident	137 Å²	137	103.4 Å²	103.4	73%	0.733	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-6.7	-170.2	-74.2	-15.1	0	0	0	114.7	N6	N6-D8 VanDerWaalsContact C-N 3.27Å; N6-D8 PolarHBondContact O-N 3.1Å
9	K	80.2	Confident	73.4	Confident	186 Å²	186	98.4 Å²	98.4	81%	0.809	51%	0.507	S	S	*	.	S	Bend	trans	-83.3	124.3	179	-156.2	174.5	-177.7	-177.2	0	110.3
10	D	87.6	Confident	74.3	Confident	75 Å²	75	93.8 Å²	93.8	40%	0.401	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-51.8	130	173.2	-70.4	1.4	0	0	0	109.7	K45 R97	D10-K45 IonicContact OD2-NZ 2.76Å; D10-R97 IonicContact OD1-CZ 3.5Å; D10-R97 IonicContact OD1-NH1 3.54Å; D10-R97 IonicContact OD1-NH2 2.9Å; D10-R97 PolarHBondContact OD1-NH2 3.31Å
11	P	94.3	Very high	74.9	Confident	16 Å²	16	92.6 Å²	92.6	10%	0.104	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-64.9	142.8	176.8	28.6	-34.5	0	0	0	109.8	I13 V44 Y74 N75 L93	P11-I13 HydrophobicContact CB-CD1 4.23Å; P11-I13 HydrophobicContact CB-CG1 3.99Å; P11-I13 HydrophobicContact CG-CD1 3.91Å; P11-I13 HydrophobicContact CG-CG1 4.14Å; P11-V44 HydrophobicContact CG-CG2 3.86Å; P11-Y74 HydrophobicContact CB-CE1 4.35Å; P11-Y74 HydrophobicContact CB-CE2 3.78Å; P11-Y74 WeakPolarHBondContact CB-OH 3.38Å; P11-Y74 HydrophobicContact CG-CE2 4.35Å; P11-N75 WeakPolarHBondContact CA-OD1 3.45Å; P11-L93 HydrophobicContact CG-CD2 4.34Å
12	T	96.8	Very high	77.4	Confident	104 Å²	104	84.7 Å²	84.7	64%	0.638	44%	0.44	S	S	*	.			trans	-87.2	115.2	169.2	-53.3	0	0	0	0	107.9	N75	T12-N75 PolarHBondContact N-OD1 2.72Å; T12-N75 PolarHBondContact O-N 2.98Å
13	I	97.9	Very high	79.7	Confident	5 Å²	5	80.9 Å²	80.9	3%	0.026	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.7	-174.7	-52.3	-175.8	0	0	0	108.9	P11 L39 V44 F46 T47 L72 Y74 L93	P11-I13 HydrophobicContact CB-CD1 4.23Å; P11-I13 HydrophobicContact CB-CG1 3.99Å; P11-I13 HydrophobicContact CG-CD1 3.91Å; P11-I13 HydrophobicContact CG-CG1 4.14Å; I13-L39 HydrophobicContact CD1-CD2 4.22Å; I13-L39 HydrophobicContact CG2-CD1 4.14Å; I13-L39 HydrophobicContact CG2-CD2 4.02Å; I13-V44 HydrophobicContact CD1-CB 4.37Å; I13-V44 HydrophobicContact CD1-CG1 3.81Å; I13-V44 HydrophobicContact CD1-CG2 3.64Å; I13-F46 HydrophobicContact CB-CB 3.75Å; I13-F46 HydrophobicContact CG2-CB 3.81Å; I13-F46 CarbonylContact O-C 3.54Å; I13-F46 VanDerWaalsContact O-CA 3.24Å; I13-F46 WeakPolarHBondContact O-CA 3.23Å; I13-F46 WeakPolarHBondContact O-CB 3.42Å; I13-T47 PolarHBondContact O-N 3.36Å; I13-T47 PolarHBondContact O-OG1 3.39Å; I13-L72 HydrophobicContact CG2-CD1 3.61Å; I13-L72 HydrophobicContact CG2-CG 4.43Å; I13-Y74 HydrophobicContact CD1-CD2 3.96Å; I13-Y74 HydrophobicContact CD1-CE2 3.67Å; I13-Y74 HydrophobicContact CG1-CD2 3.73Å; I13-Y74 HydrophobicContact CG1-CE2 3.8Å; I13-L93 HydrophobicContact CD1-CD1 4.3Å
14	E	97.1	Very high	81.7	Confident	52 Å²	52	80 Å²	80	24%	0.243	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.8	171.7	-176.6	174.6	-168.8	0	0	109.6	F16 T47 T49 L73	E14-F16 HydrophobicContact CB-CE2 4.12Å; E14-F16 HydrophobicContact CG-CD2 4.27Å; E14-F16 HydrophobicContact CG-CE1 4.34Å; E14-F16 HydrophobicContact CG-CE2 3.61Å; E14-F16 HydrophobicContact CG-CZ 3.66Å; E14-F16 WeakPolarHBondContact OE1-CZ 3.36Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.38Å; E14-T47 WeakPolarHBondContact CA-O 3.44Å; E14-T47 WeakPolarHBondContact CB-OG1 3.39Å; E14-T47 WeakPolarHBondContact CG-OG1 3.48Å; E14-T49 WeakPolarHBondContact OE1-CB 3.29Å; E14-T49 PolarHBondContact OE1-OG1 3.21Å; E14-L73 HydrophobicContact CB-CB 4.3Å; E14-L73 PolarHBondContact N-O 2.8Å; E14-L73 PolarHBondContact O-N 2.76Å
15	L	97.2	Very high	84	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.9	177.2	178.9	69.6	0	0	0	109.6	I17 L35 F36 L39 F46 T47 V48 T49 L72	L15-I17 HydrophobicContact CD2-CG2 3.71Å; L15-I17 HydrophobicContact CG-CG2 3.79Å; L15-L35 HydrophobicContact CD1-CB 4.03Å; L15-L35 HydrophobicContact CD1-CD1 4.27Å; L15-L35 HydrophobicContact CD2-CB 4.37Å; L15-F36 HydrophobicContact CD2-CB 3.87Å; L15-F36 HydrophobicContact CD2-CG 4.31Å; L15-L39 HydrophobicContact CB-CD1 3.94Å; L15-L39 HydrophobicContact CD2-CD1 4.17Å; L15-L39 HydrophobicContact CG-CD1 4.42Å; L15-F46 HydrophobicContact CB-CD2 4.48Å; L15-T47 PolarHBondContact N-O 3.22Å; L15-V48 WeakPolarHBondContact O-CA 3.26Å; L15-T49 PolarHBondContact O-N 3.4Å; L15-L72 HydrophobicContact CB-CD1 4.24Å; L15-L72 HydrophobicContact CD1-CD1 4.13Å
16	F	95.4	Very high	86.2	Confident	6 Å²	6	66.7 Å²	66.7	3%	0.026	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119	175.6	-64.4	-93.7	0	0	0	110.1	E14 T49 V51 L60 L63 P70 F71 L73	E14-F16 HydrophobicContact CB-CE2 4.12Å; E14-F16 HydrophobicContact CG-CD2 4.27Å; E14-F16 HydrophobicContact CG-CE1 4.34Å; E14-F16 HydrophobicContact CG-CE2 3.61Å; E14-F16 HydrophobicContact CG-CZ 3.66Å; E14-F16 WeakPolarHBondContact OE1-CZ 3.36Å; E14-F16 WeakPolarHBondContact OE2-CZ 3.38Å; F16-T49 WeakPolarHBondContact CA-O 3.44Å; F16-T49 HydrophobicContact CD1-CG2 3.83Å; F16-T49 HydrophobicContact CE1-CG2 3.76Å; F16-V51 HydrophobicContact CB-CG2 3.98Å; F16-V51 HydrophobicContact CD1-CG2 3.85Å; F16-V51 HydrophobicContact CG-CG2 4.41Å; F16-L60 HydrophobicContact CD1-CD2 3.94Å; F16-L60 HydrophobicContact CE1-CD2 3.61Å; F16-L60 HydrophobicContact CZ-CD2 4.26Å; F16-L63 HydrophobicContact CE2-CD2 4.29Å; F16-L63 HydrophobicContact CZ-CD2 4.11Å; F16-P70 WeakPolarHBondContact O-CA 3.38Å; F16-F71 HydrophobicContact CB-CD1 4.12Å; F16-F71 HydrophobicContact CB-CD2 3.66Å; F16-F71 HydrophobicContact CB-CE1 3.8Å; F16-F71 HydrophobicContact CB-CE2 3.34Å; F16-F71 HydrophobicContact CB-CG 4.05Å; F16-F71 HydrophobicContact CB-CZ 3.4Å; F16-F71 AromaticContact CD1-CE2 3.76Å; F16-F71 HydrophobicContact CD1-CE2 3.76Å; F16-F71 AromaticContact CD1-CZ 3.92Å; F16-F71 HydrophobicContact CD1-CZ 3.92Å; F16-F71 AromaticContact CD2-CD2 3.49Å; F16-F71 HydrophobicContact CD2-CD2 3.49Å; F16-F71 VanDerWaalsContact CD2-CD2 3.49Å; F16-F71 AromaticContact CD2-CE2 3.25Å; F16-F71 HydrophobicContact CD2-CE2 3.25Å; F16-F71 HydrophobicContact CD2-CZ 4.14Å; F16-F71 HydrophobicContact CE1-CE2 4.37Å; F16-F71 HydrophobicContact CE2-CD2 4.33Å; F16-F71 AromaticContact CE2-CE2 3.93Å; F16-F71 HydrophobicContact CE2-CE2 3.93Å; F16-F71 AromaticContact CG-CD2 3.72Å; F16-F71 HydrophobicContact CG-CD2 3.72Å; F16-F71 HydrophobicContact CG-CE1 4.43Å; F16-F71 AromaticContact CG-CE2 3.13Å; F16-F71 HydrophobicContact CG-CE2 3.13Å; F16-F71 AromaticContact CG-CZ 3.55Å; F16-F71 HydrophobicContact CG-CZ 3.55Å; F16-F71 HydrophobicContact CZ-CE2 4.43Å; F16-F71 PolarHBondContact N-O 3.24Å; F16-F71 PolarHBondContact O-N 3.48Å; F16-L73 HydrophobicContact CE2-CB 3.93Å
17	I	95.6	Very high	88.5	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	160	-178.9	62.9	174.8	0	0	0	110.8	L15 A19 V26 C32 F36 V48 T49 T50 V51	L15-I17 HydrophobicContact CD2-CG2 3.71Å; L15-I17 HydrophobicContact CG-CG2 3.79Å; I17-A19 PolarHBondContact O-N 2.93Å; I17-V26 HydrophobicContact CD1-CB 4.45Å; I17-V26 HydrophobicContact CD1-CG1 4.04Å; I17-V26 HydrophobicContact CD1-CG2 3.87Å; I17-C32 HydrophobicContact CB-CB 3.87Å; I17-C32 HydrophobicContact CG2-CB 3.78Å; I17-F36 HydrophobicContact CD1-CD1 4.34Å; I17-F36 HydrophobicContact CD1-CE1 4.48Å; I17-V48 HydrophobicContact CD1-CG1 3.34Å; I17-V48 HydrophobicContact CG1-CG1 3.67Å; I17-V48 HydrophobicContact CG2-CG1 4.41Å; I17-T49 PolarHBondContact N-O 2.89Å; I17-T50 HydrophobicContact CD1-CG2 4.08Å; I17-T50 HydrophobicContact CG1-CG2 3.91Å; I17-T50 CarbonylContact O-C 3.54Å; I17-T50 WeakPolarHBondContact O-CA 3.36Å; I17-V51 PolarHBondContact O-N 2.6Å
18	K	93.9	Very high	90.4	Very high	83 Å²	83	55.5 Å²	55.5	36%	0.361	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	129.2	177.9	-173.2	-179.3	172.8	-172.7	0	110.2	G27 C29 M53 P69	K18-G27 WeakPolarHBondContact O-CA 3.41Å; K18-G27 PolarHBondContact O-N 2.93Å; K18-C29 HydrophobicContact CB-CB 4.02Å; K18-C29 HydrophobicContact CD-CB 4.42Å; K18-M53 HydrophobicContact CG-CG 4.22Å; K18-P69 HydrophobicContact CB-CB 4.35Å
19	A	93.4	Very high	92	Very high	8 Å²	8	49.7 Å²	49.7	7%	0.066	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-71.8	155.3	170.9	0	0	0	0	0	111.9	I17 N25 V51 D52	I17-A19 PolarHBondContact O-N 2.93Å; A19-N25 CarbonylContact C-O 3.47Å; A19-N25 WeakPolarHBondContact CA-O 3.18Å; A19-V51 VanDerWaalsContact CB-C 3.48Å; A19-V51 WeakPolarHBondContact CB-O 3.42Å; A19-V51 PolarHBondContact N-O 3.21Å; A19-D52 HydrophobicContact CB-CB 4.45Å
20	G	91.9	Very high	92.8	Very high	7 Å²	7	41.5 Å²	41.5	7%	0.072	23%	0.225	C	C	.	.			trans	-69.2	-177.2	171.1	0	0	0	0	0	112.3	D22 G23 N25 E232	G20-D22 PolarHBondContact O-N 2.77Å; G20-G23 PolarHBondContact O-N 3.25Å; G20-N25 PolarHBondContact N-O 3.08Å; G20-E232 WeakPolarHBondContact CA-OE2 3.43Å
21	H	87.6	Confident	93.2	Very high	69 Å²	69	41.7 Å²	41.7	32%	0.319	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.1	-178.9	-72.4	74.9	0	0	0	113.4	G23 R54 E232 K235	H21-G23 VanDerWaalsContact C-N 3.28Å; H21-R54 PolarHBondContact O-NH1 2.71Å; H21-E232 IonicContact CE1-OE2 3.98Å; H21-E232 IonicContact CG-OE2 2.83Å; H21-E232 PolarHBondContact N-OE2 2.94Å; H21-E232 IonicContact ND1-OE1 3.59Å; H21-E232 IonicContact ND1-OE2 2.69Å; H21-E232 PolarHBondContact ND1-OE2 3.32Å; H21-K235 HydrophobicContact CB-CD 4.13Å; H21-K235 WeakPolarHBondContact CE1-CB 3.14Å
22	D	86.9	Confident	93.3	Very high	81 Å²	81	41.1 Å²	41.1	43%	0.433	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.1	172.4	54.5	17.2	0	0	0	113.4	G20 E24 N25	G20-D22 PolarHBondContact O-N 2.77Å; D22-E24 VanDerWaalsContact C-N 3.27Å; D22-E24 PolarHBondContact OD1-N 3.28Å; D22-N25 PolarHBondContact OD1-N 3.28Å; D22-N25 WeakPolarHBondContact OD2-CB 3.28Å; D22-N25 PolarHBondContact OD2-ND2 3.24Å
23	G	85.8	Confident	93.3	Very high	20 Å²	20	36.6 Å²	36.6	21%	0.206	19%	0.19	C	C	.	.	S	Bend	trans	80.8	1.4	-178.5	0	0	0	0	0	114.4	G20 H21	G20-G23 PolarHBondContact O-N 3.25Å; H21-G23 VanDerWaalsContact C-N 3.28Å
24	E	83.9	Confident	93.3	Very high	148 Å²	148	37.5 Å²	37.5	69%	0.692	19%	0.194	S	C	*	.	S	Bend	trans	-121	-50.4	-174	-65.9	-176.3	174.1	0	0	111.9	D22 T50	D22-E24 VanDerWaalsContact C-N 3.27Å; D22-E24 PolarHBondContact OD1-N 3.28Å; E24-T50 WeakPolarHBondContact O-CB 3.25Å; E24-T50 WeakPolarHBondContact O-CG2 3.37Å; E24-T50 PolarHBondContact O-OG1 3.26Å
25	N	90.6	Very high	93.4	Very high	100 Å²	100	35 Å²	35	54%	0.535	18%	0.182	S	C	.	.	S	Bend	trans	-77.2	171.9	-174.4	-74.6	-53.2	0	0	0	112.5	A19 G20 D22 G27	A19-N25 CarbonylContact C-O 3.47Å; A19-N25 WeakPolarHBondContact CA-O 3.18Å; G20-N25 PolarHBondContact N-O 3.08Å; D22-N25 PolarHBondContact OD1-N 3.28Å; D22-N25 WeakPolarHBondContact OD2-CB 3.28Å; D22-N25 PolarHBondContact OD2-ND2 3.24Å; N25-G27 PolarHBondContact O-N 3.32Å
26	V	93	Very high	93.5	Very high	43 Å²	43	36.2 Å²	36.2	26%	0.261	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-67.1	122	176.6	-179.8	0	0	0	0	110.4	I17 P228	I17-V26 HydrophobicContact CD1-CB 4.45Å; I17-V26 HydrophobicContact CD1-CG1 4.04Å; I17-V26 HydrophobicContact CD1-CG2 3.87Å; V26-P228 HydrophobicContact CG1-CB 4.28Å; V26-P228 WeakPolarHBondContact O-CB 3.27Å
27	G	93.9	Very high	93.6	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-88.5	164.6	178.5	0	0	0	0	0	113.7	K18 N25 C29	K18-G27 WeakPolarHBondContact O-CA 3.41Å; K18-G27 PolarHBondContact O-N 2.93Å; N25-G27 PolarHBondContact O-N 3.32Å; G27-C29 PolarHBondContact O-N 3.25Å
28	N	94.4	Very high	93.8	Very high	20 Å²	20	35.8 Å²	35.8	11%	0.107	19%	0.185	C	C	.	.	S	Bend	trans	-64.8	107.8	174.4	175.2	38.6	0	0	0	111.7	V190 I233 A236	N28-V190 WeakPolarHBondContact OD1-CG2 3.33Å; N28-I233 HydrophobicContact CB-CG1 4.28Å; N28-A236 HydrophobicContact CB-CB 3.89Å; N28-A236 VanDerWaalsContact ND2-CB 3.29Å; N28-A236 WeakPolarHBondContact ND2-CB 3.15Å
29	C	95.5	Very high	94	Very high	14 Å²	14	31.9 Å²	31.9	10%	0.095	17%	0.168	C	C	.	.			trans	-159	95.5	174.3	175.1	0	0	0	0	110.1	K18 G27 F31 C32 Q33	K18-C29 HydrophobicContact CB-CB 4.02Å; K18-C29 HydrophobicContact CD-CB 4.42Å; G27-C29 PolarHBondContact O-N 3.25Å; C29-F31 PolarHBondContact O-N 2.82Å; C29-C32 HydrophobicContact CB-CB 3.58Å; C29-C32 WeakPolarHBondContact CB-SG 3.33Å; C29-C32 WeakPolarHBondContact O-CB 3.33Å; C29-C32 PolarHBondContact O-N 3.42Å; C29-C32 WeakPolarHBondContact SG-CB 3.5Å; C29-C32 PolarHBondContact SG-N 2.93Å; C29-C32 CovalentContact SG-SG 2.05Å; C29-C32 PolarHBondContact SG-SG 2.62Å; C29-Q33 PolarHBondContact O-N 2.91Å
30	P	95.8	Very high	94.2	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-55.8	-34.5	179.9	-30	37	0	0	0	114	R34 F116 P186 K187 V190	P30-R34 WeakPolarHBondContact O-CB 3.31Å; P30-R34 PolarHBondContact O-N 2.91Å; P30-F116 HydrophobicContact CG-CZ 4.21Å; P30-P186 HydrophobicContact CB-CB 3.94Å; P30-K187 HydrophobicContact CB-CG 4.23Å; P30-V190 HydrophobicContact CG-CG2 3.88Å
31	F	95.4	Very high	94.5	Very high	80 Å²	80	36.1 Å²	36.1	35%	0.351	18%	0.182	S	C	.	.	H	α-helix	trans	-70.2	-34.3	177.8	-46.6	-65.5	0	0	0	112.5	C29 L35 P70 F82	C29-F31 PolarHBondContact O-N 2.82Å; F31-L35 PolarHBondContact O-N 2.9Å; F31-P70 HydrophobicContact CB-CG 4.15Å; F31-F82 HydrophobicContact CB-CD1 4.36Å; F31-F82 HydrophobicContact CB-CG 4.29Å; F31-F82 HydrophobicContact CD1-CD1 4.43Å; F31-F82 HydrophobicContact CD1-CD2 4.42Å; F31-F82 AromaticContact CD1-CE1 3.95Å; F31-F82 HydrophobicContact CD1-CE1 3.95Å; F31-F82 AromaticContact CD1-CE2 3.94Å; F31-F82 HydrophobicContact CD1-CE2 3.94Å; F31-F82 AromaticContact CD1-CZ 3.69Å; F31-F82 HydrophobicContact CD1-CZ 3.69Å; F31-F82 HydrophobicContact CE1-CE1 4.33Å; F31-F82 AromaticContact CE1-CZ 3.99Å; F31-F82 HydrophobicContact CE1-CZ 3.99Å; F31-F82 HydrophobicContact CG-CD1 4.44Å; F31-F82 HydrophobicContact CG-CE1 4.31Å; F31-F82 HydrophobicContact CG-CZ 4.46Å
32	C	96.9	Very high	95	Very high	4 Å²	4	33 Å²	33	3%	0.027	17%	0.168	C	C	.	.	H	α-helix	trans	-70.4	-46.6	177.2	-53.3	0	0	0	0	110.2	I17 C29 R34 L35 F36 P70	I17-C32 HydrophobicContact CB-CB 3.87Å; I17-C32 HydrophobicContact CG2-CB 3.78Å; C29-C32 HydrophobicContact CB-CB 3.58Å; C29-C32 WeakPolarHBondContact CB-SG 3.33Å; C29-C32 WeakPolarHBondContact O-CB 3.33Å; C29-C32 PolarHBondContact O-N 3.42Å; C29-C32 WeakPolarHBondContact SG-CB 3.5Å; C29-C32 PolarHBondContact SG-N 2.93Å; C29-C32 CovalentContact SG-SG 2.05Å; C29-C32 PolarHBondContact SG-SG 2.62Å; C32-R34 VanDerWaalsContact C-N 3.31Å; C32-R34 PolarHBondContact O-N 3.42Å; C32-L35 PolarHBondContact O-N 2.86Å; C32-F36 PolarHBondContact O-N 2.94Å; C32-P70 HydrophobicContact CB-CB 4.23Å
33	Q	98	Very high	95.4	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-41.7	175	-174.9	178.5	4.6	0	0	111.4	C29 L35 F36 M37 P186 F223 T226 C227	C29-Q33 PolarHBondContact O-N 2.91Å; Q33-L35 PolarHBondContact O-N 2.79Å; Q33-F36 WeakPolarHBondContact O-CB 3.4Å; Q33-F36 PolarHBondContact O-N 2.96Å; Q33-F36 VanDerWaalsContact O-N 3.14Å; Q33-M37 HydrophobicContact CG-CG 4.34Å; Q33-M37 HydrophobicContact CG-SD 4.31Å; Q33-M37 WeakPolarHBondContact O-CG 3.44Å; Q33-M37 PolarHBondContact O-N 3.22Å; Q33-P186 HydrophobicContact CB-CB 4.05Å; Q33-P186 HydrophobicContact CB-CG 4.03Å; Q33-P186 HydrophobicContact CG-CB 4.16Å; Q33-P186 HydrophobicContact CG-CG 3.84Å; Q33-F223 PolarHBondContact NE2-O 3.12Å; Q33-T226 WeakPolarHBondContact CG-O 3.49Å; Q33-T226 PolarHBondContact NE2-OG1 2.93Å; Q33-C227 PolarHBondContact NE2-SG 2.96Å
34	R	97.9	Very high	95.9	Very high	25 Å²	25	31.9 Å²	31.9	9%	0.094	17%	0.173	C	C	.	.	H	α-helix	trans	-51.5	-53.3	175.1	173.4	178.7	-177.9	172.6	-7.6	112.2	P30 C32 F36 M37 V38 E86 C182 N183	P30-R34 WeakPolarHBondContact O-CB 3.31Å; P30-R34 PolarHBondContact O-N 2.91Å; C32-R34 VanDerWaalsContact C-N 3.31Å; C32-R34 PolarHBondContact O-N 3.42Å; R34-F36 VanDerWaalsContact C-N 3.32Å; R34-F36 PolarHBondContact O-N 3.41Å; R34-M37 PolarHBondContact O-N 3.1Å; R34-V38 WeakPolarHBondContact O-CG2 3.38Å; R34-V38 PolarHBondContact O-N 2.97Å; R34-E86 IonicContact CZ-OE1 3.66Å; R34-E86 IonicContact CZ-OE2 3.11Å; R34-E86 IonicContact NE-OE1 3.76Å; R34-E86 IonicContact NE-OE2 3.36Å; R34-E86 PolarHBondContact NE-OE2 3.45Å; R34-E86 IonicContact NH2-OE1 3.83Å; R34-E86 PolarHBondContact NH2-OE1 3.04Å; R34-E86 IonicContact NH2-OE2 3.57Å; R34-E86 PolarHBondContact NH2-OE2 3.08Å; R34-C182 WeakPolarHBondContact CA-O 3.29Å; R34-C182 VanDerWaalsContact CB-O 3.27Å; R34-C182 WeakPolarHBondContact CB-O 3.38Å; R34-C182 HydrophobicContact CG-CB 4.17Å; R34-C182 WeakPolarHBondContact CG-O 3.17Å; R34-N183 VanDerWaalsContact NH1-CG 3.35Å; R34-N183 PolarHBondContact NH1-OD1 3.15Å
35	L	98.4	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.9	-32.5	180	-69.8	-178	0	0	0	112.9	L15 F31 C32 Q33 V38 L39 P70 F82 I85 E86	L15-L35 HydrophobicContact CD1-CB 4.03Å; L15-L35 HydrophobicContact CD1-CD1 4.27Å; L15-L35 HydrophobicContact CD2-CB 4.37Å; F31-L35 PolarHBondContact O-N 2.9Å; C32-L35 PolarHBondContact O-N 2.86Å; Q33-L35 PolarHBondContact O-N 2.79Å; L35-V38 PolarHBondContact O-N 3.24Å; L35-L39 PolarHBondContact O-N 2.89Å; L35-P70 HydrophobicContact CD1-CB 3.93Å; L35-P70 HydrophobicContact CD1-CG 3.92Å; L35-F82 HydrophobicContact CD1-CB 3.92Å; L35-F82 HydrophobicContact CG-CB 4.4Å; L35-I85 HydrophobicContact CD1-CB 4.12Å; L35-I85 HydrophobicContact CD1-CD1 4.12Å; L35-I85 HydrophobicContact CD1-CG2 3.81Å; L35-I85 HydrophobicContact CD2-CB 4.36Å; L35-I85 HydrophobicContact CD2-CG2 3.96Å; L35-E86 HydrophobicContact CD2-CB 4.05Å
36	F	98.4	Very high	96.9	Very high	24 Å²	24	30 Å²	30	11%	0.105	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-48	174.2	-162.2	170.5	0	0	0	110.5	L15 I17 C32 Q33 R34 V38 L39 W40 F46 V48 T226	L15-F36 HydrophobicContact CD2-CB 3.87Å; L15-F36 HydrophobicContact CD2-CG 4.31Å; I17-F36 HydrophobicContact CD1-CD1 4.34Å; I17-F36 HydrophobicContact CD1-CE1 4.48Å; C32-F36 PolarHBondContact O-N 2.94Å; Q33-F36 WeakPolarHBondContact O-CB 3.4Å; Q33-F36 PolarHBondContact O-N 2.96Å; Q33-F36 VanDerWaalsContact O-N 3.14Å; R34-F36 VanDerWaalsContact C-N 3.32Å; R34-F36 PolarHBondContact O-N 3.41Å; F36-V38 VanDerWaalsContact C-N 3.32Å; F36-V38 PolarHBondContact O-N 2.91Å; F36-L39 PolarHBondContact O-N 3.21Å; F36-W40 HydrophobicContact CD2-CE3 4.18Å; F36-W40 AromaticContact CE2-CE3 3.67Å; F36-W40 HydrophobicContact CE2-CE3 3.67Å; F36-W40 AromaticContact CE2-CZ3 3.92Å; F36-W40 HydrophobicContact CE2-CZ3 3.92Å; F36-W40 HydrophobicContact CZ-CE3 4.34Å; F36-W40 HydrophobicContact CZ-CZ3 4.16Å; F36-W40 WeakPolarHBondContact O-CB 3.48Å; F36-W40 PolarHBondContact O-N 3.45Å; F36-F46 AromaticContact CD2-CE2 3.58Å; F36-F46 HydrophobicContact CD2-CE2 3.58Å; F36-F46 AromaticContact CD2-CZ 3.59Å; F36-F46 HydrophobicContact CD2-CZ 3.59Å; F36-F46 AromaticContact CE2-CE2 3.58Å; F36-F46 HydrophobicContact CE2-CE2 3.58Å; F36-F46 AromaticContact CE2-CZ 3.54Å; F36-F46 HydrophobicContact CE2-CZ 3.54Å; F36-V48 HydrophobicContact CD2-CG2 4.16Å; F36-V48 HydrophobicContact CE1-CG1 4.25Å; F36-V48 HydrophobicContact CE1-CG2 4.13Å; F36-V48 HydrophobicContact CE2-CG2 3.72Å; F36-V48 HydrophobicContact CZ-CB 4.5Å; F36-V48 HydrophobicContact CZ-CG2 3.71Å; F36-T226 HydrophobicContact CB-CG2 4.21Å; F36-T226 HydrophobicContact CD1-CG2 3.86Å; F36-T226 HydrophobicContact CD2-CG2 3.86Å; F36-T226 HydrophobicContact CE1-CG2 4.15Å; F36-T226 HydrophobicContact CE2-CG2 4.13Å; F36-T226 HydrophobicContact CG-CG2 3.71Å; F36-T226 HydrophobicContact CZ-CG2 4.26Å
37	M	98.6	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-43.4	174.6	-66.5	180	67.3	0	0	112	Q33 R34 W40 L41 C182 L185 P186 E222 F223 T226	Q33-M37 HydrophobicContact CG-CG 4.34Å; Q33-M37 HydrophobicContact CG-SD 4.31Å; Q33-M37 WeakPolarHBondContact O-CG 3.44Å; Q33-M37 PolarHBondContact O-N 3.22Å; R34-M37 PolarHBondContact O-N 3.1Å; M37-W40 PolarHBondContact O-N 3.19Å; M37-L41 WeakPolarHBondContact O-CB 3.33Å; M37-L41 WeakPolarHBondContact O-CG 3.49Å; M37-L41 PolarHBondContact O-N 3.09Å; M37-C182 HydrophobicContact CB-CB 4.22Å; M37-L185 HydrophobicContact CE-CB 4.48Å; M37-L185 HydrophobicContact CE-CD1 3.9Å; M37-P186 HydrophobicContact SD-CG 3.89Å; M37-E222 WeakPolarHBondContact CG-O 3.46Å; M37-F223 HydrophobicContact CE-CB 3.95Å; M37-F223 HydrophobicContact CE-CD2 3.97Å; M37-F223 HydrophobicContact CE-CG 4.4Å; M37-F223 HydrophobicContact SD-CD2 3.91Å; M37-T226 HydrophobicContact CG-CG2 4.4Å; M37-T226 WeakPolarHBondContact CG-OG1 3.23Å
38	V	98.5	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-51.1	178.3	171.6	0	0	0	0	111.2	R34 L35 F36 W40 L41 K42 E86 L89 L101 L179 C182	R34-V38 WeakPolarHBondContact O-CG2 3.38Å; R34-V38 PolarHBondContact O-N 2.97Å; L35-V38 PolarHBondContact O-N 3.24Å; F36-V38 VanDerWaalsContact C-N 3.32Å; F36-V38 PolarHBondContact O-N 2.91Å; V38-W40 VanDerWaalsContact C-N 3.3Å; V38-W40 PolarHBondContact O-N 2.96Å; V38-L41 PolarHBondContact O-N 3.26Å; V38-K42 VanDerWaalsContact O-CG 3.28Å; V38-K42 WeakPolarHBondContact O-CG 3.5Å; V38-K42 PolarHBondContact O-N 3.32Å; V38-E86 HydrophobicContact CG2-CG 4.48Å; V38-L89 HydrophobicContact CG1-CB 4.41Å; V38-L89 HydrophobicContact CG1-CD1 4.2Å; V38-L101 HydrophobicContact CG1-CD1 4.37Å; V38-L179 HydrophobicContact CG1-CD2 4.16Å; V38-L179 HydrophobicContact CG2-CD2 3.62Å; V38-C182 HydrophobicContact CG2-CB 3.93Å
39	L	98.4	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-37.9	178.8	-76.2	170.6	0	0	0	112.4	I13 L15 L35 F36 K42 G43 V44 F46 L72 L89 L93	I13-L39 HydrophobicContact CD1-CD2 4.22Å; I13-L39 HydrophobicContact CG2-CD1 4.14Å; I13-L39 HydrophobicContact CG2-CD2 4.02Å; L15-L39 HydrophobicContact CB-CD1 3.94Å; L15-L39 HydrophobicContact CD2-CD1 4.17Å; L15-L39 HydrophobicContact CG-CD1 4.42Å; L35-L39 PolarHBondContact O-N 2.89Å; F36-L39 PolarHBondContact O-N 3.21Å; L39-K42 PolarHBondContact O-N 3.19Å; L39-G43 PolarHBondContact O-N 2.87Å; L39-V44 HydrophobicContact CD2-CG1 3.8Å; L39-F46 HydrophobicContact CB-CD1 3.85Å; L39-F46 HydrophobicContact CB-CD2 4.19Å; L39-F46 HydrophobicContact CB-CE1 3.66Å; L39-F46 HydrophobicContact CB-CE2 3.98Å; L39-F46 HydrophobicContact CB-CG 4.12Å; L39-F46 HydrophobicContact CB-CZ 3.73Å; L39-F46 HydrophobicContact CD1-CB 4.44Å; L39-F46 HydrophobicContact CD1-CD2 3.77Å; L39-F46 HydrophobicContact CD1-CE2 4.1Å; L39-F46 HydrophobicContact CD1-CG 4.04Å; L39-L72 HydrophobicContact CD1-CD1 4.06Å; L39-L89 HydrophobicContact CD2-CD1 3.91Å; L39-L89 HydrophobicContact CD2-CD2 3.72Å; L39-L89 HydrophobicContact CD2-CG 4.46Å; L39-L89 HydrophobicContact CG-CD1 4.03Å; L39-L93 HydrophobicContact CD2-CD1 4.32Å
40	W	98.3	Very high	97.1	Very high	79 Å²	79	36.8 Å²	36.8	30%	0.299	20%	0.199	S	C	.	.	H	α-helix	trans	-61.9	-50.1	175.7	-159	-52.3	0	0	0	111.5	F36 M37 V38 K42 G43 E222 Q225 T226	F36-W40 HydrophobicContact CD2-CE3 4.18Å; F36-W40 AromaticContact CE2-CE3 3.67Å; F36-W40 HydrophobicContact CE2-CE3 3.67Å; F36-W40 AromaticContact CE2-CZ3 3.92Å; F36-W40 HydrophobicContact CE2-CZ3 3.92Å; F36-W40 HydrophobicContact CZ-CE3 4.34Å; F36-W40 HydrophobicContact CZ-CZ3 4.16Å; F36-W40 WeakPolarHBondContact O-CB 3.48Å; F36-W40 PolarHBondContact O-N 3.45Å; M37-W40 PolarHBondContact O-N 3.19Å; V38-W40 VanDerWaalsContact C-N 3.3Å; V38-W40 PolarHBondContact O-N 2.96Å; W40-K42 VanDerWaalsContact C-N 3.25Å; W40-K42 PolarHBondContact O-N 2.6Å; W40-G43 PolarHBondContact O-N 3.24Å; W40-E222 VanDerWaalsContact CD1-CG 3.43Å; W40-E222 HydrophobicContact CG-CB 4.3Å; W40-E222 HydrophobicContact CG-CG 3.96Å; W40-Q225 HydrophobicContact CH2-CB 3.92Å; W40-Q225 HydrophobicContact CZ3-CB 4.22Å; W40-T226 HydrophobicContact CE3-CG2 3.78Å; W40-T226 HydrophobicContact CZ3-CG2 4.09Å
41	L	98.2	Very high	96.9	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.136	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-28.7	179.1	-71.6	171.7	0	0	0	112.8	M37 V38 G43 P99 L101 L177 C182 E222	M37-L41 WeakPolarHBondContact O-CB 3.33Å; M37-L41 WeakPolarHBondContact O-CG 3.49Å; M37-L41 PolarHBondContact O-N 3.09Å; V38-L41 PolarHBondContact O-N 3.26Å; L41-G43 PolarHBondContact O-N 3.09Å; L41-P99 VanDerWaalsContact O-CG 3.25Å; L41-P99 WeakPolarHBondContact O-CG 3.32Å; L41-L101 HydrophobicContact CB-CD1 3.66Å; L41-L101 HydrophobicContact CB-CD2 3.98Å; L41-L101 HydrophobicContact CD1-CD1 4.41Å; L41-L177 HydrophobicContact CD1-CB 3.69Å; L41-L177 HydrophobicContact CD1-CD1 4.46Å; L41-L177 HydrophobicContact CD2-CB 3.97Å; L41-L177 HydrophobicContact CD2-CD1 4.02Å; L41-C182 VanDerWaalsContact CD1-SG 3.55Å; L41-E222 HydrophobicContact CD2-CB 4.21Å; L41-E222 HydrophobicContact CD2-CG 3.83Å; L41-E222 HydrophobicContact CG-CB 4.47Å; L41-E222 HydrophobicContact CG-CG 4.39Å
42	K	97.8	Very high	96.5	Very high	3 Å²	3	34 Å²	34	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-20.9	171.6	-71.2	-66.1	-176.8	178.3	0	112.7	V38 L39 W40 V44 E90 L93 Y98 P99 L101	V38-K42 VanDerWaalsContact O-CG 3.28Å; V38-K42 WeakPolarHBondContact O-CG 3.5Å; V38-K42 PolarHBondContact O-N 3.32Å; L39-K42 PolarHBondContact O-N 3.19Å; W40-K42 VanDerWaalsContact C-N 3.25Å; W40-K42 PolarHBondContact O-N 2.6Å; K42-V44 HydrophobicContact CB-CG1 4.28Å; K42-V44 PolarHBondContact O-N 2.93Å; K42-E90 WeakPolarHBondContact CE-OE2 3.44Å; K42-E90 IonicContact NZ-OE2 2.71Å; K42-E90 PolarHBondContact NZ-OE2 3.43Å; K42-L93 HydrophobicContact CB-CD1 4.1Å; K42-L93 HydrophobicContact CD-CB 3.86Å; K42-L93 WeakPolarHBondContact CE-O 3.45Å; K42-L93 HydrophobicContact CG-CB 4.26Å; K42-L93 HydrophobicContact CG-CD1 4.04Å; K42-L93 PolarHBondContact NZ-O 3.19Å; K42-Y98 VanDerWaalsContact O-CD1 3.29Å; K42-Y98 WeakPolarHBondContact O-CD1 3.45Å; K42-P99 PolarHBondContact NZ-O 3.11Å; K42-P99 WeakPolarHBondContact O-CD 3.38Å; K42-L101 HydrophobicContact CD-CD1 4.02Å; K42-L101 HydrophobicContact CD-CG 4.33Å; K42-L101 HydrophobicContact CG-CD1 4.08Å
43	G	96.6	Very high	95.9	Very high	66 Å²	66	36.7 Å²	36.7	68%	0.68	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	20.1	-178	0	0	0	0	0	113.5	L39 W40 L41	L39-G43 PolarHBondContact O-N 2.87Å; W40-G43 PolarHBondContact O-N 3.24Å; L41-G43 PolarHBondContact O-N 3.09Å
44	V	96.4	Very high	95.1	Very high	12 Å²	12	44.9 Å²	44.9	7%	0.073	23%	0.231	C	C	.	.			trans	-83.6	151.9	175.6	69.5	0	0	0	0	109.8	P11 I13 L39 K42 F46 L93 Y98	P11-V44 HydrophobicContact CG-CG2 3.86Å; I13-V44 HydrophobicContact CD1-CB 4.37Å; I13-V44 HydrophobicContact CD1-CG1 3.81Å; I13-V44 HydrophobicContact CD1-CG2 3.64Å; L39-V44 HydrophobicContact CD2-CG1 3.8Å; K42-V44 HydrophobicContact CB-CG1 4.28Å; K42-V44 PolarHBondContact O-N 2.93Å; V44-F46 HydrophobicContact CG1-CD1 4.39Å; V44-F46 WeakPolarHBondContact O-CD1 3.34Å; V44-L93 HydrophobicContact CB-CD1 4.23Å; V44-L93 HydrophobicContact CG1-CD1 3.84Å; V44-L93 HydrophobicContact CG2-CD2 4.36Å; V44-Y98 HydrophobicContact CB-CD1 4.45Å; V44-Y98 HydrophobicContact CB-CE1 3.84Å; V44-Y98 HydrophobicContact CG2-CE1 3.99Å
45	K	96.8	Very high	94.2	Very high	158 Å²	158	51.5 Å²	51.5	69%	0.687	26%	0.26	S	S	*	.			trans	-76.1	131.4	170	-66.9	176.5	-175.7	164.4	0	109.4	D10	D10-K45 IonicContact OD2-NZ 2.76Å
46	F	97.8	Very high	92.9	Very high	49 Å²	49	54.5 Å²	54.5	22%	0.215	27%	0.273	C	S	.	.			trans	-151.1	160	175.2	66.2	-76.2	0	0	0	110.2	I13 L15 F36 L39 V44 V48	I13-F46 HydrophobicContact CB-CB 3.75Å; I13-F46 HydrophobicContact CG2-CB 3.81Å; I13-F46 CarbonylContact O-C 3.54Å; I13-F46 VanDerWaalsContact O-CA 3.24Å; I13-F46 WeakPolarHBondContact O-CA 3.23Å; I13-F46 WeakPolarHBondContact O-CB 3.42Å; L15-F46 HydrophobicContact CB-CD2 4.48Å; F36-F46 AromaticContact CD2-CE2 3.58Å; F36-F46 HydrophobicContact CD2-CE2 3.58Å; F36-F46 AromaticContact CD2-CZ 3.59Å; F36-F46 HydrophobicContact CD2-CZ 3.59Å; F36-F46 AromaticContact CE2-CE2 3.58Å; F36-F46 HydrophobicContact CE2-CE2 3.58Å; F36-F46 AromaticContact CE2-CZ 3.54Å; F36-F46 HydrophobicContact CE2-CZ 3.54Å; L39-F46 HydrophobicContact CB-CD1 3.85Å; L39-F46 HydrophobicContact CB-CD2 4.19Å; L39-F46 HydrophobicContact CB-CE1 3.66Å; L39-F46 HydrophobicContact CB-CE2 3.98Å; L39-F46 HydrophobicContact CB-CG 4.12Å; L39-F46 HydrophobicContact CB-CZ 3.73Å; L39-F46 HydrophobicContact CD1-CB 4.44Å; L39-F46 HydrophobicContact CD1-CD2 3.77Å; L39-F46 HydrophobicContact CD1-CE2 4.1Å; L39-F46 HydrophobicContact CD1-CG 4.04Å; V44-F46 HydrophobicContact CG1-CD1 4.39Å; V44-F46 WeakPolarHBondContact O-CD1 3.34Å; F46-V48 HydrophobicContact CD2-CG2 3.73Å; F46-V48 HydrophobicContact CE2-CG2 3.38Å; F46-V48 HydrophobicContact CZ-CG2 4.49Å
47	T	97.4	Very high	91.6	Very high	79 Å²	79	56.3 Å²	56.3	49%	0.485	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	152.5	169.3	49.4	0	0	0	0	110.1	I13 E14 L15	I13-T47 PolarHBondContact O-N 3.36Å; I13-T47 PolarHBondContact O-OG1 3.39Å; E14-T47 WeakPolarHBondContact CA-O 3.44Å; E14-T47 WeakPolarHBondContact CB-OG1 3.39Å; E14-T47 WeakPolarHBondContact CG-OG1 3.48Å; L15-T47 PolarHBondContact N-O 3.22Å
48	V	96.2	Very high	90.3	Very high	53 Å²	53	59.7 Å²	59.7	32%	0.321	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.6	174.9	179.5	0	0	0	0	108.4	L15 I17 F36 F46	L15-V48 WeakPolarHBondContact O-CA 3.26Å; I17-V48 HydrophobicContact CD1-CG1 3.34Å; I17-V48 HydrophobicContact CG1-CG1 3.67Å; I17-V48 HydrophobicContact CG2-CG1 4.41Å; F36-V48 HydrophobicContact CD2-CG2 4.16Å; F36-V48 HydrophobicContact CE1-CG1 4.25Å; F36-V48 HydrophobicContact CE1-CG2 4.13Å; F36-V48 HydrophobicContact CE2-CG2 3.72Å; F36-V48 HydrophobicContact CZ-CB 4.5Å; F36-V48 HydrophobicContact CZ-CG2 3.71Å; F46-V48 HydrophobicContact CD2-CG2 3.73Å; F46-V48 HydrophobicContact CE2-CG2 3.38Å; F46-V48 HydrophobicContact CZ-CG2 4.49Å
49	T	93.9	Very high	88.9	Confident	46 Å²	46	67.3 Å²	67.3	28%	0.282	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.4	178.5	-62.7	0	0	0	0	108.8	E14 L15 F16 I17	E14-T49 WeakPolarHBondContact OE1-CB 3.29Å; E14-T49 PolarHBondContact OE1-OG1 3.21Å; L15-T49 PolarHBondContact O-N 3.4Å; F16-T49 WeakPolarHBondContact CA-O 3.44Å; F16-T49 HydrophobicContact CD1-CG2 3.83Å; F16-T49 HydrophobicContact CE1-CG2 3.76Å; I17-T49 PolarHBondContact N-O 2.89Å
50	T	93.2	Very high	87.7	Confident	46 Å²	46	68.3 Å²	68.3	28%	0.282	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136.5	175.2	50.4	0	0	0	0	109.9	I17 E24	I17-T50 HydrophobicContact CD1-CG2 4.08Å; I17-T50 HydrophobicContact CG1-CG2 3.91Å; I17-T50 CarbonylContact O-C 3.54Å; I17-T50 WeakPolarHBondContact O-CA 3.36Å; E24-T50 WeakPolarHBondContact O-CB 3.25Å; E24-T50 WeakPolarHBondContact O-CG2 3.37Å; E24-T50 PolarHBondContact O-OG1 3.26Å
51	V	91	Very high	86.5	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.024	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	110.8	-175.8	-178.7	0	0	0	0	109.6	F16 I17 A19 M53 L60 P69 F71	F16-V51 HydrophobicContact CB-CG2 3.98Å; F16-V51 HydrophobicContact CD1-CG2 3.85Å; F16-V51 HydrophobicContact CG-CG2 4.41Å; I17-V51 PolarHBondContact O-N 2.6Å; A19-V51 VanDerWaalsContact CB-C 3.48Å; A19-V51 WeakPolarHBondContact CB-O 3.42Å; A19-V51 PolarHBondContact N-O 3.21Å; V51-M53 HydrophobicContact CG1-SD 4.16Å; V51-M53 PolarHBondContact O-N 3.3Å; V51-L60 HydrophobicContact CB-CD1 4.2Å; V51-L60 HydrophobicContact CG1-CD1 3.56Å; V51-L60 HydrophobicContact CG2-CD1 3.62Å; V51-P69 HydrophobicContact CB-CG 3.98Å; V51-P69 HydrophobicContact CG1-CG 4.31Å; V51-P69 HydrophobicContact CG2-CG 4.4Å; V51-F71 HydrophobicContact CG2-CZ 4.34Å
52	D	88.9	Confident	85.4	Confident	33 Å²	33	76 Å²	76	18%	0.176	40%	0.398	C	S	.	.			trans	-70.8	111.4	168.7	-176.7	-0.2	0	0	0	109.7	A19 R54 K55 K56	A19-D52 HydrophobicContact CB-CB 4.45Å; D52-R54 PolarHBondContact O-N 3.11Å; D52-R54 VanDerWaalsContact OD1-CB 3.29Å; D52-R54 WeakPolarHBondContact OD1-CB 3.29Å; D52-R54 PolarHBondContact OD1-N 3.28Å; D52-K55 HydrophobicContact CB-CB 4.48Å; D52-K55 CarbonylContact O-C 3.55Å; D52-K55 VanDerWaalsContact O-C 3.29Å; D52-K55 PolarHBondContact O-N 2.89Å; D52-K56 PolarHBondContact O-N 3.12Å
53	M	83.2	Confident	84.3	Confident	60 Å²	60	78.7 Å²	78.7	30%	0.296	41%	0.412	S	S	.	.	S	Bend	trans	-67.8	-17.1	179.9	-61	-56.8	-70.3	0	0	113.3	K18 V51 K56 N68 P69	K18-M53 HydrophobicContact CG-CG 4.22Å; V51-M53 HydrophobicContact CG1-SD 4.16Å; V51-M53 PolarHBondContact O-N 3.3Å; M53-K56 VanDerWaalsContact CE-CE 3.44Å; M53-N68 HydrophobicContact CE-CB 3.9Å; M53-N68 WeakPolarHBondContact CE-OD1 3.35Å; M53-P69 WeakPolarHBondContact SD-CD 2.98Å; M53-P69 HydrophobicContact SD-CG 3.78Å
54	R	81.4	Confident	83.2	Confident	179 Å²	179	75.8 Å²	75.8	68%	0.675	38%	0.381	S	S	*	.	S	Bend	trans	-85.9	-30.6	177.2	-56.5	171.7	-177.8	159.8	0.6	111.7	H21 D52	H21-R54 PolarHBondContact O-NH1 2.71Å; D52-R54 PolarHBondContact O-N 3.11Å; D52-R54 VanDerWaalsContact OD1-CB 3.29Å; D52-R54 WeakPolarHBondContact OD1-CB 3.29Å; D52-R54 PolarHBondContact OD1-N 3.28Å
55	K	79.3	Confident	82.1	Confident	165 Å²	165	79.8 Å²	79.8	72%	0.717	41%	0.407	S	S	*	.	S	Bend	trans	-127.1	60	-177.8	-62.9	179.7	-176.8	174.1	0	110.6	D52 P57	D52-K55 HydrophobicContact CB-CB 4.48Å; D52-K55 CarbonylContact O-C 3.55Å; D52-K55 VanDerWaalsContact O-C 3.29Å; D52-K55 PolarHBondContact O-N 2.89Å; K55-P57 WeakPolarHBondContact O-CD 3.45Å; K55-P57 VanDerWaalsContact O-N 3.09Å
56	K	71.5	Confident	81	Confident	62 Å²	62	75.9 Å²	75.9	27%	0.27	41%	0.412	S	S	.	.			trans	-58	116.1	178	-70.7	-166.8	-179.7	-172.1	0	109.9	D52 M53 T67 N68	D52-K56 PolarHBondContact O-N 3.12Å; M53-K56 VanDerWaalsContact CE-CE 3.44Å; K56-T67 PolarHBondContact NZ-O 3Å; K56-N68 PolarHBondContact NZ-OD1 3.46Å
57	P	69.8	Low	80.1	Confident	63 Å²	63	75.3 Å²	75.3	41%	0.409	41%	0.412	S	S	.	.			trans	-53.5	147	174.2	-25.2	34.1	0	0	0	111.2	K55 E59 L60 K61	K55-P57 WeakPolarHBondContact O-CD 3.45Å; K55-P57 VanDerWaalsContact O-N 3.09Å; P57-E59 PolarHBondContact O-N 2.86Å; P57-L60 HydrophobicContact CB-CG 4.36Å; P57-L60 HydrophobicContact CG-CD1 4.15Å; P57-L60 HydrophobicContact CG-CG 4.35Å; P57-L60 PolarHBondContact O-N 3.4Å; P57-L60 VanDerWaalsContact O-N 3.08Å; P57-K61 PolarHBondContact O-N 3.04Å
58	A	72.6	Confident	79.3	Confident	70 Å²	70	76.4 Å²	76.4	58%	0.579	42%	0.415	S	S	*	.	H	α-helix	trans	-57.7	-40.6	179.3	0	0	0	0	0	111.6	L60 K61 D62	A58-L60 VanDerWaalsContact C-N 3.25Å; A58-L60 PolarHBondContact O-N 2.78Å; A58-K61 WeakPolarHBondContact O-CA 3.45Å; A58-K61 WeakPolarHBondContact O-CB 3.46Å; A58-K61 PolarHBondContact O-N 3.23Å; A58-D62 PolarHBondContact O-N 3.22Å
59	E	69.4	Low	78.9	Confident	161 Å²	161	74.8 Å²	74.8	75%	0.752	41%	0.406	S	S	*	.	H	α-helix	trans	-56.2	-37.5	176.3	-63.9	166.2	-167.6	0	0	112.5	P57 L63	P57-E59 PolarHBondContact O-N 2.86Å; E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.46Å; E59-L63 PolarHBondContact O-N 3.48Å
60	L	73.1	Confident	78.8	Confident	20 Å²	20	73.1 Å²	73.1	11%	0.105	40%	0.396	C	S	.	.	H	α-helix	trans	-75.2	-25	176.1	-67.2	-173.3	0	0	0	113.2	F16 V51 P57 A58 D62 L63 A64 F71	F16-L60 HydrophobicContact CD1-CD2 3.94Å; F16-L60 HydrophobicContact CE1-CD2 3.61Å; F16-L60 HydrophobicContact CZ-CD2 4.26Å; V51-L60 HydrophobicContact CB-CD1 4.2Å; V51-L60 HydrophobicContact CG1-CD1 3.56Å; V51-L60 HydrophobicContact CG2-CD1 3.62Å; P57-L60 HydrophobicContact CB-CG 4.36Å; P57-L60 HydrophobicContact CG-CD1 4.15Å; P57-L60 HydrophobicContact CG-CG 4.35Å; P57-L60 PolarHBondContact O-N 3.4Å; P57-L60 VanDerWaalsContact O-N 3.08Å; A58-L60 VanDerWaalsContact C-N 3.25Å; A58-L60 PolarHBondContact O-N 2.78Å; L60-D62 VanDerWaalsContact C-N 3.35Å; L60-L63 HydrophobicContact CD2-CD2 4.12Å; L60-A64 CarbonylContact O-C 3.29Å; L60-A64 PolarHBondContact O-N 3.13Å; L60-F71 HydrophobicContact CD2-CE2 4.33Å; L60-F71 HydrophobicContact CD2-CZ 4.15Å
61	K	72.5	Confident	78.9	Confident	126 Å²	126	71.2 Å²	71.2	55%	0.548	38%	0.383	S	S	.	.	H	α-helix	trans	-68.8	-38.8	174.9	-66.7	-177.9	-179.7	177.6	0	111	P57 A58 P65	P57-K61 PolarHBondContact O-N 3.04Å; A58-K61 WeakPolarHBondContact O-CA 3.45Å; A58-K61 WeakPolarHBondContact O-CB 3.46Å; A58-K61 PolarHBondContact O-N 3.23Å; K61-P65 VanDerWaalsContact O-CA 3.29Å; K61-P65 WeakPolarHBondContact O-CA 3.48Å; K61-P65 WeakPolarHBondContact O-CB 3.35Å; K61-P65 WeakPolarHBondContact O-CD 3.05Å
62	D	75.2	Confident	79.1	Confident	142 Å²	142	71 Å²	71	76%	0.759	38%	0.382	S	S	*	.	H	α-helix	trans	-76.7	-39.2	177.1	-63.7	-24.8	0	0	0	111.1	A58 L60	A58-D62 PolarHBondContact O-N 3.22Å; L60-D62 VanDerWaalsContact C-N 3.35Å
63	L	75.3	Confident	79.4	Confident	59 Å²	59	70.9 Å²	70.9	31%	0.309	38%	0.381	S	S	.	.	H	α-helix	trans	-66.2	-50.7	178.4	-171.9	66	0	0	0	111.7	F16 E59 L60 L73 L78	F16-L63 HydrophobicContact CE2-CD2 4.29Å; F16-L63 HydrophobicContact CZ-CD2 4.11Å; E59-L63 VanDerWaalsContact O-CB 3.23Å; E59-L63 WeakPolarHBondContact O-CB 3.46Å; E59-L63 PolarHBondContact O-N 3.48Å; L60-L63 HydrophobicContact CD2-CD2 4.12Å; L63-L73 HydrophobicContact CD1-CD1 4.03Å; L63-L73 HydrophobicContact CD2-CD2 4.49Å; L63-L78 WeakPolarHBondContact O-CD2 3.38Å
64	A	73.3	Confident	80.1	Confident	5 Å²	5	69.4 Å²	69.4	4%	0.041	37%	0.373	C	S	.	.	S	Bend	trans	-137.3	66.2	-170.4	0	0	0	0	0	112.4	L60 G66 T67 F71 L78	L60-A64 CarbonylContact O-C 3.29Å; L60-A64 PolarHBondContact O-N 3.13Å; A64-G66 PolarHBondContact O-N 3.26Å; A64-T67 PolarHBondContact O-N 3.12Å; A64-T67 VanDerWaalsContact O-N 3.11Å; A64-F71 HydrophobicContact CB-CD2 4.33Å; A64-F71 HydrophobicContact CB-CE2 4.14Å; A64-F71 HydrophobicContact CB-CZ 4.28Å; A64-L78 HydrophobicContact CB-CD1 4.27Å; A64-L78 HydrophobicContact CB-CD2 3.56Å
65	P	72.9	Confident	80.7	Confident	96 Å²	96	65.1 Å²	65.1	62%	0.623	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	125.8	-174.7	21.6	-31.7	0	0	0	111.5	K61 T67	K61-P65 VanDerWaalsContact O-CA 3.29Å; K61-P65 WeakPolarHBondContact O-CA 3.48Å; K61-P65 WeakPolarHBondContact O-CB 3.35Å; K61-P65 WeakPolarHBondContact O-CD 3.05Å; P65-T67 PolarHBondContact O-N 3.39Å
66	G	72.5	Confident	81.3	Confident	75 Å²	75	60.1 Å²	60.1	77%	0.773	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	0.8	178.6	0	0	0	0	0	115.5	A64	A64-G66 PolarHBondContact O-N 3.26Å
67	T	78.9	Confident	82.4	Confident	37 Å²	37	61 Å²	61	23%	0.227	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-83.8	139	-179.4	-56.5	0	0	0	0	110.2	K56 A64 P65 F71 T80	K56-T67 PolarHBondContact NZ-O 3Å; A64-T67 PolarHBondContact O-N 3.12Å; A64-T67 VanDerWaalsContact O-N 3.11Å; P65-T67 PolarHBondContact O-N 3.39Å; T67-F71 HydrophobicContact CG2-CB 4.28Å; T67-F71 HydrophobicContact CG2-CD1 4.09Å; T67-F71 HydrophobicContact CG2-CG 4.44Å; T67-T80 HydrophobicContact CG2-CG2 3.73Å
68	N	81.8	Confident	83.5	Confident	102 Å²	102	60.5 Å²	60.5	55%	0.545	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-103.2	145.1	172.2	-65.7	-28.3	0	0	0	109	M53 K56	M53-N68 HydrophobicContact CE-CB 3.9Å; M53-N68 WeakPolarHBondContact CE-OD1 3.35Å; K56-N68 PolarHBondContact NZ-OD1 3.46Å
69	P	87	Confident	84.5	Confident	19 Å²	19	60.3 Å²	60.3	12%	0.123	35%	0.349	C	S	.	.	S	Bend	trans	-53.5	148.4	172.3	-25.7	34.1	0	0	0	112.7	K18 V51 M53 F71	K18-P69 HydrophobicContact CB-CB 4.35Å; V51-P69 HydrophobicContact CB-CG 3.98Å; V51-P69 HydrophobicContact CG1-CG 4.31Å; V51-P69 HydrophobicContact CG2-CG 4.4Å; M53-P69 WeakPolarHBondContact SD-CD 2.98Å; M53-P69 HydrophobicContact SD-CG 3.78Å; P69-F71 HydrophobicContact CG-CD1 4.46Å; P69-F71 HydrophobicContact CG-CE1 4.05Å
70	P	93.3	Very high	85.6	Confident	12 Å²	12	55.7 Å²	55.7	8%	0.078	33%	0.332	C	S	.	.	P	Polyproline II helix	cis	-87.3	146.7	4.5	35.6	-36	0	0	0	113.7	F16 F31 C32 L35 F82	F16-P70 WeakPolarHBondContact O-CA 3.38Å; F31-P70 HydrophobicContact CB-CG 4.15Å; C32-P70 HydrophobicContact CB-CB 4.23Å; L35-P70 HydrophobicContact CD1-CB 3.93Å; L35-P70 HydrophobicContact CD1-CG 3.92Å; P70-F82 HydrophobicContact CG-CB 3.8Å
71	F	94.2	Very high	86.5	Confident	5 Å²	5	58 Å²	58	2%	0.022	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.5	168.1	56.6	-91.4	0	0	0	110.1	F16 V51 L60 A64 T67 P69 L78 K79 T80	F16-F71 HydrophobicContact CB-CD1 4.12Å; F16-F71 HydrophobicContact CB-CD2 3.66Å; F16-F71 HydrophobicContact CB-CE1 3.8Å; F16-F71 HydrophobicContact CB-CE2 3.34Å; F16-F71 HydrophobicContact CB-CG 4.05Å; F16-F71 HydrophobicContact CB-CZ 3.4Å; F16-F71 AromaticContact CD1-CE2 3.76Å; F16-F71 HydrophobicContact CD1-CE2 3.76Å; F16-F71 AromaticContact CD1-CZ 3.92Å; F16-F71 HydrophobicContact CD1-CZ 3.92Å; F16-F71 AromaticContact CD2-CD2 3.49Å; F16-F71 HydrophobicContact CD2-CD2 3.49Å; F16-F71 VanDerWaalsContact CD2-CD2 3.49Å; F16-F71 AromaticContact CD2-CE2 3.25Å; F16-F71 HydrophobicContact CD2-CE2 3.25Å; F16-F71 HydrophobicContact CD2-CZ 4.14Å; F16-F71 HydrophobicContact CE1-CE2 4.37Å; F16-F71 HydrophobicContact CE2-CD2 4.33Å; F16-F71 AromaticContact CE2-CE2 3.93Å; F16-F71 HydrophobicContact CE2-CE2 3.93Å; F16-F71 AromaticContact CG-CD2 3.72Å; F16-F71 HydrophobicContact CG-CD2 3.72Å; F16-F71 HydrophobicContact CG-CE1 4.43Å; F16-F71 AromaticContact CG-CE2 3.13Å; F16-F71 HydrophobicContact CG-CE2 3.13Å; F16-F71 AromaticContact CG-CZ 3.55Å; F16-F71 HydrophobicContact CG-CZ 3.55Å; F16-F71 HydrophobicContact CZ-CE2 4.43Å; F16-F71 PolarHBondContact N-O 3.24Å; F16-F71 PolarHBondContact O-N 3.48Å; V51-F71 HydrophobicContact CG2-CZ 4.34Å; L60-F71 HydrophobicContact CD2-CE2 4.33Å; L60-F71 HydrophobicContact CD2-CZ 4.15Å; A64-F71 HydrophobicContact CB-CD2 4.33Å; A64-F71 HydrophobicContact CB-CE2 4.14Å; A64-F71 HydrophobicContact CB-CZ 4.28Å; T67-F71 HydrophobicContact CG2-CB 4.28Å; T67-F71 HydrophobicContact CG2-CD1 4.09Å; T67-F71 HydrophobicContact CG2-CG 4.44Å; P69-F71 HydrophobicContact CG-CD1 4.46Å; P69-F71 HydrophobicContact CG-CE1 4.05Å; F71-L78 HydrophobicContact CB-CD1 4.18Å; F71-L78 HydrophobicContact CD2-CD1 3.56Å; F71-L78 HydrophobicContact CE2-CD1 4.34Å; F71-L78 HydrophobicContact CG-CD1 4.21Å; F71-K79 WeakPolarHBondContact CB-O 3.41Å; F71-T80 HydrophobicContact CB-CG2 4.46Å
72	L	96.1	Very high	87.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.4	-171.7	-176.5	80.5	0	0	0	110	I13 L15 L39 Y74 L78 K79 I85 F88 L89	I13-L72 HydrophobicContact CG2-CD1 3.61Å; I13-L72 HydrophobicContact CG2-CG 4.43Å; L15-L72 HydrophobicContact CB-CD1 4.24Å; L15-L72 HydrophobicContact CD1-CD1 4.13Å; L39-L72 HydrophobicContact CD1-CD1 4.06Å; L72-Y74 HydrophobicContact CD2-CD2 4.48Å; L72-L78 CarbonylContact O-C 3.57Å; L72-K79 HydrophobicContact CB-CB 4.25Å; L72-K79 PolarHBondContact N-O 3Å; L72-K79 PolarHBondContact O-N 3.33Å; L72-I85 HydrophobicContact CB-CD1 4.11Å; L72-I85 HydrophobicContact CB-CG1 4.36Å; L72-I85 HydrophobicContact CB-CG2 3.96Å; L72-I85 HydrophobicContact CD2-CG2 3.82Å; L72-I85 HydrophobicContact CG-CG2 4.43Å; L72-F88 HydrophobicContact CD2-CD1 4.46Å; L72-F88 HydrophobicContact CD2-CE1 4.45Å; L72-L89 HydrophobicContact CD2-CD1 4.44Å; L72-L89 HydrophobicContact CD2-CD2 3.87Å; L72-L89 HydrophobicContact CD2-CG 4.24Å
73	L	95.3	Very high	88.3	Confident	30 Å²	30	51.2 Å²	51.2	16%	0.157	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.1	166.6	-170.6	66.9	0	0	0	108.5	E14 F16 L63 G76	E14-L73 HydrophobicContact CB-CB 4.3Å; E14-L73 PolarHBondContact N-O 2.8Å; E14-L73 PolarHBondContact O-N 2.76Å; F16-L73 HydrophobicContact CE2-CB 3.93Å; L63-L73 HydrophobicContact CD1-CD1 4.03Å; L63-L73 HydrophobicContact CD2-CD2 4.49Å; L73-G76 WeakPolarHBondContact CD1-O 3.45Å
74	Y	96.3	Very high	89.4	Confident	30 Å²	30	54.6 Å²	54.6	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.4	-179.1	-171.5	-85.6	0	0	0	109.8	P11 I13 L72 G76 T77 F88 T92	P11-Y74 HydrophobicContact CB-CE1 4.35Å; P11-Y74 HydrophobicContact CB-CE2 3.78Å; P11-Y74 WeakPolarHBondContact CB-OH 3.38Å; P11-Y74 HydrophobicContact CG-CE2 4.35Å; I13-Y74 HydrophobicContact CD1-CD2 3.96Å; I13-Y74 HydrophobicContact CD1-CE2 3.67Å; I13-Y74 HydrophobicContact CG1-CD2 3.73Å; I13-Y74 HydrophobicContact CG1-CE2 3.8Å; L72-Y74 HydrophobicContact CD2-CD2 4.48Å; Y74-G76 PolarHBondContact O-N 2.82Å; Y74-T77 PolarHBondContact N-O 2.82Å; Y74-T77 WeakPolarHBondContact O-CB 3.24Å; Y74-T77 PolarHBondContact O-N 3.27Å; Y74-F88 AromaticContact CD1-CE1 3.98Å; Y74-F88 HydrophobicContact CD1-CE1 3.98Å; Y74-F88 AromaticContact CD1-CZ 3.61Å; Y74-F88 HydrophobicContact CD1-CZ 3.61Å; Y74-F88 AromaticContact CD2-CE1 3.74Å; Y74-F88 HydrophobicContact CD2-CE1 3.74Å; Y74-F88 HydrophobicContact CD2-CZ 4.18Å; Y74-F88 HydrophobicContact CE1-CE1 4.38Å; Y74-F88 AromaticContact CE1-CZ 3.85Å; Y74-F88 HydrophobicContact CE1-CZ 3.85Å; Y74-F88 HydrophobicContact CE2-CE1 4.16Å; Y74-F88 HydrophobicContact CE2-CZ 4.39Å; Y74-F88 AromaticContact CG-CE1 3.64Å; Y74-F88 HydrophobicContact CG-CE1 3.64Å; Y74-F88 AromaticContact CG-CZ 3.79Å; Y74-F88 HydrophobicContact CG-CZ 3.79Å; Y74-T92 HydrophobicContact CE1-CG2 4.29Å; Y74-T92 VanDerWaalsContact OH-CG2 3.31Å; Y74-T92 WeakPolarHBondContact OH-CG2 3.13Å
75	N	95.4	Very high	90.5	Very high	89 Å²	89	54.4 Å²	54.4	48%	0.476	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	43.4	-173.5	-68.3	-27.3	0	0	0	112.5	P11 T12 T77	P11-N75 WeakPolarHBondContact CA-OD1 3.45Å; T12-N75 PolarHBondContact N-OD1 2.72Å; T12-N75 PolarHBondContact O-N 2.98Å; N75-T77 PolarHBondContact O-N 2.98Å
76	G	91.5	Very high	91.7	Very high	60 Å²	60	50.5 Å²	50.5	62%	0.619	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-0.3	-177.9	0	0	0	0	0	115.2	L73 Y74	L73-G76 WeakPolarHBondContact CD1-O 3.45Å; Y74-G76 PolarHBondContact O-N 2.82Å
77	T	93.3	Very high	92.9	Very high	81 Å²	81	51.9 Å²	51.9	50%	0.497	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.3	175.9	-57.1	0	0	0	0	110.6	Y74 N75	Y74-T77 PolarHBondContact N-O 2.82Å; Y74-T77 WeakPolarHBondContact O-CB 3.24Å; Y74-T77 PolarHBondContact O-N 3.27Å; N75-T77 PolarHBondContact O-N 2.98Å
78	L	93.3	Very high	93.8	Very high	51 Å²	51	52 Å²	52	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134	175.4	-178	68.6	0	0	0	110.8	L63 A64 F71 L72 T80	L63-L78 WeakPolarHBondContact O-CD2 3.38Å; A64-L78 HydrophobicContact CB-CD1 4.27Å; A64-L78 HydrophobicContact CB-CD2 3.56Å; F71-L78 HydrophobicContact CB-CD1 4.18Å; F71-L78 HydrophobicContact CD2-CD1 3.56Å; F71-L78 HydrophobicContact CE2-CD1 4.34Å; F71-L78 HydrophobicContact CG-CD1 4.21Å; L72-L78 CarbonylContact O-C 3.57Å; L78-T80 HydrophobicContact CD2-CG2 3.93Å; L78-T80 HydrophobicContact CG-CG2 4.06Å
79	K	94.5	Very high	94.5	Very high	67 Å²	67	47.1 Å²	47.1	29%	0.291	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.1	170	-54.8	-72.9	-174.5	173.7	0	108.4	F71 L72 I85	F71-K79 WeakPolarHBondContact CB-O 3.41Å; L72-K79 HydrophobicContact CB-CB 4.25Å; L72-K79 PolarHBondContact N-O 3Å; L72-K79 PolarHBondContact O-N 3.33Å; K79-I85 HydrophobicContact CB-CD1 4.41Å; K79-I85 HydrophobicContact CB-CG1 3.8Å; K79-I85 WeakPolarHBondContact O-CD1 3.49Å
80	T	92.2	Very high	95	Very high	63 Å²	63	46.8 Å²	46.8	39%	0.387	25%	0.249	S	C	.	.			trans	-121.2	172.2	176.2	64	0	0	0	0	109.1	T67 F71 L78	T67-T80 HydrophobicContact CG2-CG2 3.73Å; F71-T80 HydrophobicContact CB-CG2 4.46Å; L78-T80 HydrophobicContact CD2-CG2 3.93Å; L78-T80 HydrophobicContact CG-CG2 4.06Å
81	D	92	Very high	95.2	Very high	68 Å²	68	53.2 Å²	53.2	36%	0.364	28%	0.278	S	S	.	.			trans	65.8	106.2	-172.2	-176.4	-12.3	0	0	0	112	I83 K84 I85	D81-I83 PolarHBondContact O-N 3.16Å; D81-I83 VanDerWaalsContact O-N 3.15Å; D81-I83 WeakPolarHBondContact OD1-CB 3.43Å; D81-I83 PolarHBondContact OD1-N 3.07Å; D81-K84 HydrophobicContact CB-CB 4.28Å; D81-K84 HydrophobicContact CB-CD 4.14Å; D81-K84 HydrophobicContact CB-CG 4.26Å; D81-K84 PolarHBondContact O-N 3.33Å; D81-K84 VanDerWaalsContact O-N 3.14Å; D81-K84 WeakPolarHBondContact OD2-CE 3.4Å; D81-K84 IonicContact OD2-NZ 3.69Å; D81-I85 VanDerWaalsContact O-CG1 3.29Å; D81-I85 WeakPolarHBondContact O-CG1 3.29Å; D81-I85 PolarHBondContact O-N 2.94Å
82	F	92.8	Very high	95.3	Very high	46 Å²	46	55.8 Å²	55.8	20%	0.202	29%	0.294	C	S	.	.	H	α-helix	trans	-61.4	-27.3	-173.9	75.1	-89.2	0	0	0	113.4	F31 L35 P70 E86	F31-F82 HydrophobicContact CB-CD1 4.36Å; F31-F82 HydrophobicContact CB-CG 4.29Å; F31-F82 HydrophobicContact CD1-CD1 4.43Å; F31-F82 HydrophobicContact CD1-CD2 4.42Å; F31-F82 AromaticContact CD1-CE1 3.95Å; F31-F82 HydrophobicContact CD1-CE1 3.95Å; F31-F82 AromaticContact CD1-CE2 3.94Å; F31-F82 HydrophobicContact CD1-CE2 3.94Å; F31-F82 AromaticContact CD1-CZ 3.69Å; F31-F82 HydrophobicContact CD1-CZ 3.69Å; F31-F82 HydrophobicContact CE1-CE1 4.33Å; F31-F82 AromaticContact CE1-CZ 3.99Å; F31-F82 HydrophobicContact CE1-CZ 3.99Å; F31-F82 HydrophobicContact CG-CD1 4.44Å; F31-F82 HydrophobicContact CG-CE1 4.31Å; F31-F82 HydrophobicContact CG-CZ 4.46Å; L35-F82 HydrophobicContact CD1-CB 3.92Å; L35-F82 HydrophobicContact CG-CB 4.4Å; P70-F82 HydrophobicContact CG-CB 3.8Å; F82-E86 PolarHBondContact O-N 3.25Å
83	I	93.7	Very high	95.3	Very high	80 Å²	80	55.8 Å²	55.8	41%	0.41	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-49.4	177.9	-60.5	175.8	0	0	0	108.9	D81 I85 E86 E87	D81-I83 PolarHBondContact O-N 3.16Å; D81-I83 VanDerWaalsContact O-N 3.15Å; D81-I83 WeakPolarHBondContact OD1-CB 3.43Å; D81-I83 PolarHBondContact OD1-N 3.07Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 2.86Å; I83-E86 PolarHBondContact O-N 2.69Å; I83-E87 WeakPolarHBondContact O-CG 3.44Å; I83-E87 PolarHBondContact O-N 3.46Å
84	K	96.4	Very high	95.1	Very high	131 Å²	131	56 Å²	56	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-64.6	-34.9	177.2	-66	-179.3	-174.5	171.3	0	112.4	D81 F88	D81-K84 HydrophobicContact CB-CB 4.28Å; D81-K84 HydrophobicContact CB-CD 4.14Å; D81-K84 HydrophobicContact CB-CG 4.26Å; D81-K84 PolarHBondContact O-N 3.33Å; D81-K84 VanDerWaalsContact O-N 3.14Å; D81-K84 WeakPolarHBondContact OD2-CE 3.4Å; D81-K84 IonicContact OD2-NZ 3.69Å; K84-F88 WeakPolarHBondContact O-CB 3.45Å; K84-F88 PolarHBondContact O-N 3.43Å
85	I	97.6	Very high	94.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-46.1	175.3	-67.2	165.4	0	0	0	110.4	L35 L72 K79 D81 I83 F88 L89	L35-I85 HydrophobicContact CD1-CB 4.12Å; L35-I85 HydrophobicContact CD1-CD1 4.12Å; L35-I85 HydrophobicContact CD1-CG2 3.81Å; L35-I85 HydrophobicContact CD2-CB 4.36Å; L35-I85 HydrophobicContact CD2-CG2 3.96Å; L72-I85 HydrophobicContact CB-CD1 4.11Å; L72-I85 HydrophobicContact CB-CG1 4.36Å; L72-I85 HydrophobicContact CB-CG2 3.96Å; L72-I85 HydrophobicContact CD2-CG2 3.82Å; L72-I85 HydrophobicContact CG-CG2 4.43Å; K79-I85 HydrophobicContact CB-CD1 4.41Å; K79-I85 HydrophobicContact CB-CG1 3.8Å; K79-I85 WeakPolarHBondContact O-CD1 3.49Å; D81-I85 VanDerWaalsContact O-CG1 3.29Å; D81-I85 WeakPolarHBondContact O-CG1 3.29Å; D81-I85 PolarHBondContact O-N 2.94Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 2.86Å; I85-F88 PolarHBondContact O-N 2.9Å; I85-L89 HydrophobicContact CG2-CD1 3.89Å; I85-L89 HydrophobicContact CG2-CG 4.26Å; I85-L89 WeakPolarHBondContact O-CB 3.47Å; I85-L89 VanDerWaalsContact O-CG 3.29Å; I85-L89 WeakPolarHBondContact O-CG 3.5Å; I85-L89 PolarHBondContact O-N 2.05Å
86	E	97.7	Very high	94.8	Very high	13 Å²	13	61 Å²	61	6%	0.061	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-48.6	177.9	-176.3	-179.3	88.8	0	0	111.6	R34 L35 V38 F82 I83 F88 L89 E90 L179	R34-E86 IonicContact CZ-OE1 3.66Å; R34-E86 IonicContact CZ-OE2 3.11Å; R34-E86 IonicContact NE-OE1 3.76Å; R34-E86 IonicContact NE-OE2 3.36Å; R34-E86 PolarHBondContact NE-OE2 3.45Å; R34-E86 IonicContact NH2-OE1 3.83Å; R34-E86 PolarHBondContact NH2-OE1 3.04Å; R34-E86 IonicContact NH2-OE2 3.57Å; R34-E86 PolarHBondContact NH2-OE2 3.08Å; L35-E86 HydrophobicContact CD2-CB 4.05Å; V38-E86 HydrophobicContact CG2-CG 4.48Å; F82-E86 PolarHBondContact O-N 3.25Å; I83-E86 PolarHBondContact O-N 2.69Å; E86-F88 VanDerWaalsContact C-N 3.29Å; E86-F88 PolarHBondContact O-N 3.37Å; E86-L89 PolarHBondContact O-N 3.01Å; E86-E90 WeakPolarHBondContact O-CB 3.48Å; E86-E90 PolarHBondContact O-N 3.17Å; E86-L179 HydrophobicContact CG-CD1 4.2Å; E86-L179 HydrophobicContact CG-CD2 3.96Å
87	E	97	Very high	94.9	Very high	104 Å²	104	63.6 Å²	63.6	49%	0.486	33%	0.333	S	S	.	.	H	α-helix	trans	-57	-44.3	176.1	-71	173.9	-176.1	0	0	111.4	I83 E90 Q91	I83-E87 WeakPolarHBondContact O-CG 3.44Å; I83-E87 PolarHBondContact O-N 3.46Å; E87-E90 PolarHBondContact O-N 3.36Å; E87-Q91 WeakPolarHBondContact O-CB 3.36Å; E87-Q91 VanDerWaalsContact O-CG 3.25Å; E87-Q91 WeakPolarHBondContact O-CG 3.02Å; E87-Q91 PolarHBondContact O-N 3.37Å
88	F	97.9	Very high	95.1	Very high	39 Å²	39	61.1 Å²	61.1	17%	0.171	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-45.7	176.9	168.4	-100.3	0	0	0	112.3	L72 Y74 K84 I85 E86 Q91 T92	L72-F88 HydrophobicContact CD2-CD1 4.46Å; L72-F88 HydrophobicContact CD2-CE1 4.45Å; Y74-F88 AromaticContact CD1-CE1 3.98Å; Y74-F88 HydrophobicContact CD1-CE1 3.98Å; Y74-F88 AromaticContact CD1-CZ 3.61Å; Y74-F88 HydrophobicContact CD1-CZ 3.61Å; Y74-F88 AromaticContact CD2-CE1 3.74Å; Y74-F88 HydrophobicContact CD2-CE1 3.74Å; Y74-F88 HydrophobicContact CD2-CZ 4.18Å; Y74-F88 HydrophobicContact CE1-CE1 4.38Å; Y74-F88 AromaticContact CE1-CZ 3.85Å; Y74-F88 HydrophobicContact CE1-CZ 3.85Å; Y74-F88 HydrophobicContact CE2-CE1 4.16Å; Y74-F88 HydrophobicContact CE2-CZ 4.39Å; Y74-F88 AromaticContact CG-CE1 3.64Å; Y74-F88 HydrophobicContact CG-CE1 3.64Å; Y74-F88 AromaticContact CG-CZ 3.79Å; Y74-F88 HydrophobicContact CG-CZ 3.79Å; K84-F88 WeakPolarHBondContact O-CB 3.45Å; K84-F88 PolarHBondContact O-N 3.43Å; I85-F88 PolarHBondContact O-N 2.9Å; E86-F88 VanDerWaalsContact C-N 3.29Å; E86-F88 PolarHBondContact O-N 3.37Å; F88-Q91 PolarHBondContact O-N 3.39Å; F88-T92 WeakPolarHBondContact CD2-OG1 3.43Å; F88-T92 HydrophobicContact CE2-CG2 4.41Å; F88-T92 WeakPolarHBondContact CE2-OG1 3.07Å; F88-T92 HydrophobicContact CZ-CG2 4.19Å; F88-T92 WeakPolarHBondContact O-CB 3.26Å; F88-T92 PolarHBondContact O-N 3.2Å; F88-T92 PolarHBondContact O-OG1 3.05Å
89	L	97.9	Very high	95.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-40.8	178.7	-72.5	173.1	0	0	0	111.3	V38 L39 L72 I85 E86 L93	V38-L89 HydrophobicContact CG1-CB 4.41Å; V38-L89 HydrophobicContact CG1-CD1 4.2Å; L39-L89 HydrophobicContact CD2-CD1 3.91Å; L39-L89 HydrophobicContact CD2-CD2 3.72Å; L39-L89 HydrophobicContact CD2-CG 4.46Å; L39-L89 HydrophobicContact CG-CD1 4.03Å; L72-L89 HydrophobicContact CD2-CD1 4.44Å; L72-L89 HydrophobicContact CD2-CD2 3.87Å; L72-L89 HydrophobicContact CD2-CG 4.24Å; I85-L89 HydrophobicContact CG2-CD1 3.89Å; I85-L89 HydrophobicContact CG2-CG 4.26Å; I85-L89 WeakPolarHBondContact O-CB 3.47Å; I85-L89 VanDerWaalsContact O-CG 3.29Å; I85-L89 WeakPolarHBondContact O-CG 3.5Å; I85-L89 PolarHBondContact O-N 2.05Å; E86-L89 PolarHBondContact O-N 3.01Å; L89-L93 HydrophobicContact CD2-CD1 3.89Å; L89-L93 WeakPolarHBondContact O-CA 3.38Å; L89-L93 VanDerWaalsContact O-CB 3.25Å; L89-L93 WeakPolarHBondContact O-CB 3.43Å; L89-L93 PolarHBondContact O-N 3.48Å
90	E	97.5	Very high	95.3	Very high	12 Å²	12	63.8 Å²	63.8	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-40.4	178.8	-175.9	66.1	178.9	0	0	112.3	K42 E86 E87 H100 L101 S102 L179	K42-E90 WeakPolarHBondContact CE-OE2 3.44Å; K42-E90 IonicContact NZ-OE2 2.71Å; K42-E90 PolarHBondContact NZ-OE2 3.43Å; E86-E90 WeakPolarHBondContact O-CB 3.48Å; E86-E90 PolarHBondContact O-N 3.17Å; E87-E90 PolarHBondContact O-N 3.36Å; E90-H100 IonicContact OE1-CD2 3.53Å; E90-H100 IonicContact OE1-CE1 3.68Å; E90-H100 PolarHBondContact OE1-CE1 2.83Å; E90-H100 IonicContact OE1-CG 3.86Å; E90-H100 IonicContact OE1-ND1 3.56Å; E90-H100 PolarHBondContact OE1-ND1 3.25Å; E90-H100 IonicContact OE1-NE2 2.66Å; E90-L101 PolarHBondContact OE1-N 2.94Å; E90-L101 PolarHBondContact OE2-N 2.88Å; E90-S102 WeakPolarHBondContact CG-OG 3.29Å; E90-S102 PolarHBondContact OE1-N 3.47Å; E90-S102 PolarHBondContact OE1-OG 3.08Å; E90-L179 HydrophobicContact CB-CD1 4.33Å; E90-L179 HydrophobicContact CG-CD1 4.08Å
91	Q	96.7	Very high	95.6	Very high	147 Å²	147	61.3 Å²	61.3	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-74.4	-39.9	177.7	-70.1	171.2	11.6	0	0	112.8	E87 F88	E87-Q91 WeakPolarHBondContact O-CB 3.36Å; E87-Q91 VanDerWaalsContact O-CG 3.25Å; E87-Q91 WeakPolarHBondContact O-CG 3.02Å; E87-Q91 PolarHBondContact O-N 3.37Å; F88-Q91 PolarHBondContact O-N 3.39Å
92	T	96.1	Very high	95.8	Very high	59 Å²	59	60 Å²	60	36%	0.362	31%	0.312	S	S	.	.	H	α-helix	trans	-83.2	-39.6	-173	-53.3	0	0	0	0	111.8	Y74 F88 A94	Y74-T92 HydrophobicContact CE1-CG2 4.29Å; Y74-T92 VanDerWaalsContact OH-CG2 3.31Å; Y74-T92 WeakPolarHBondContact OH-CG2 3.13Å; F88-T92 WeakPolarHBondContact CD2-OG1 3.43Å; F88-T92 HydrophobicContact CE2-CG2 4.41Å; F88-T92 WeakPolarHBondContact CE2-OG1 3.07Å; F88-T92 HydrophobicContact CZ-CG2 4.19Å; F88-T92 WeakPolarHBondContact O-CB 3.26Å; F88-T92 PolarHBondContact O-N 3.2Å; F88-T92 PolarHBondContact O-OG1 3.05Å; T92-A94 PolarHBondContact O-N 3.3Å
93	L	95.6	Very high	96	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	31%	0.308	C	S	.	.	S	Bend	trans	-96.7	71.8	176.8	-54.2	176.3	0	0	0	108.7	P11 I13 L39 K42 V44 L89 Y98	P11-L93 HydrophobicContact CG-CD2 4.34Å; I13-L93 HydrophobicContact CD1-CD1 4.3Å; L39-L93 HydrophobicContact CD2-CD1 4.32Å; K42-L93 HydrophobicContact CB-CD1 4.1Å; K42-L93 HydrophobicContact CD-CB 3.86Å; K42-L93 WeakPolarHBondContact CE-O 3.45Å; K42-L93 HydrophobicContact CG-CB 4.26Å; K42-L93 HydrophobicContact CG-CD1 4.04Å; K42-L93 PolarHBondContact NZ-O 3.19Å; V44-L93 HydrophobicContact CB-CD1 4.23Å; V44-L93 HydrophobicContact CG1-CD1 3.84Å; V44-L93 HydrophobicContact CG2-CD2 4.36Å; L89-L93 HydrophobicContact CD2-CD1 3.89Å; L89-L93 WeakPolarHBondContact O-CA 3.38Å; L89-L93 VanDerWaalsContact O-CB 3.25Å; L89-L93 WeakPolarHBondContact O-CB 3.43Å; L89-L93 PolarHBondContact O-N 3.48Å; L93-Y98 HydrophobicContact CB-CD2 3.79Å; L93-Y98 HydrophobicContact CB-CE2 4.41Å; L93-Y98 HydrophobicContact CB-CG 3.93Å; L93-Y98 HydrophobicContact CD2-CD2 3.84Å; L93-Y98 HydrophobicContact CD2-CE2 3.56Å; L93-Y98 HydrophobicContact CD2-CG 4.45Å; L93-Y98 HydrophobicContact CG-CD2 4.43Å; L93-Y98 WeakPolarHBondContact O-CB 3.12Å
94	A	91.1	Very high	96	Very high	34 Å²	34	60.3 Å²	60.3	28%	0.281	32%	0.321	S	S	.	.			trans	-110.2	169.1	-174.7	0	0	0	0	0	112.9	T92 R97 Y98	T92-A94 PolarHBondContact O-N 3.3Å; A94-R97 PolarHBondContact O-N 2.9Å; A94-Y98 CarbonylContact C-O 3.52Å; A94-Y98 PolarHBondContact O-N 2.94Å
95	P	92.7	Very high	96	Very high	80 Å²	80	55.5 Å²	55.5	52%	0.519	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	150.9	171.6	-27.3	36.2	0	0	0	112.4	Y98 H100	P95-Y98 VanDerWaalsContact CA-O 3.31Å; P95-Y98 WeakPolarHBondContact CA-O 3.49Å; P95-Y98 WeakPolarHBondContact CD-O 3.38Å; P95-H100 HydrophobicContact CG-CB 4.22Å
96	P	93.1	Very high	95.7	Very high	143 Å²	143	63 Å²	63	93%	0.929	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.1	-9.4	9.2	33.7	-36.7	0	0	0	114.7
97	R	94	Very high	95.6	Very high	116 Å²	116	67.8 Å²	67.8	44%	0.438	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-34.3	-169.9	-175.6	173.5	171.6	160.4	4.7	113.6	D10 A94	D10-R97 IonicContact OD1-CZ 3.5Å; D10-R97 IonicContact OD1-NH1 3.54Å; D10-R97 IonicContact OD1-NH2 2.9Å; D10-R97 PolarHBondContact OD1-NH2 3.31Å; A94-R97 PolarHBondContact O-N 2.9Å
98	Y	96.4	Very high	95.5	Very high	28 Å²	28	62.9 Å²	62.9	11%	0.11	33%	0.334	C	S	.	.	S	Bend	trans	-127.4	151.4	-177.5	-56.9	-71	0	0	0	110	K42 V44 L93 A94 P95	K42-Y98 VanDerWaalsContact O-CD1 3.29Å; K42-Y98 WeakPolarHBondContact O-CD1 3.45Å; V44-Y98 HydrophobicContact CB-CD1 4.45Å; V44-Y98 HydrophobicContact CB-CE1 3.84Å; V44-Y98 HydrophobicContact CG2-CE1 3.99Å; L93-Y98 HydrophobicContact CB-CD2 3.79Å; L93-Y98 HydrophobicContact CB-CE2 4.41Å; L93-Y98 HydrophobicContact CB-CG 3.93Å; L93-Y98 HydrophobicContact CD2-CD2 3.84Å; L93-Y98 HydrophobicContact CD2-CE2 3.56Å; L93-Y98 HydrophobicContact CD2-CG 4.45Å; L93-Y98 HydrophobicContact CG-CD2 4.43Å; L93-Y98 WeakPolarHBondContact O-CB 3.12Å; A94-Y98 CarbonylContact C-O 3.52Å; A94-Y98 PolarHBondContact O-N 2.94Å; P95-Y98 VanDerWaalsContact CA-O 3.31Å; P95-Y98 WeakPolarHBondContact CA-O 3.49Å; P95-Y98 WeakPolarHBondContact CD-O 3.38Å
99	P	96.9	Very high	95.3	Very high	57 Å²	57	64.1 Å²	64.1	37%	0.37	34%	0.339	S	S	.	.			trans	-69.7	152.5	-179.4	28.8	-34.1	0	0	0	111.7	L41 K42 L101	L41-P99 VanDerWaalsContact O-CG 3.25Å; L41-P99 WeakPolarHBondContact O-CG 3.32Å; K42-P99 PolarHBondContact NZ-O 3.11Å; K42-P99 WeakPolarHBondContact O-CD 3.38Å; P99-L101 HydrophobicContact CB-CD2 4.3Å; P99-L101 HydrophobicContact CG-CD2 4.17Å
100	H	96.9	Very high	95.1	Very high	117 Å²	117	67.8 Å²	67.8	54%	0.542	36%	0.359	S	S	.	.			trans	-86.2	129.4	165.8	-163.3	69.5	0	0	0	108.6	E90 P95 S102	E90-H100 IonicContact OE1-CD2 3.53Å; E90-H100 IonicContact OE1-CE1 3.68Å; E90-H100 PolarHBondContact OE1-CE1 2.83Å; E90-H100 IonicContact OE1-CG 3.86Å; E90-H100 IonicContact OE1-ND1 3.56Å; E90-H100 PolarHBondContact OE1-ND1 3.25Å; E90-H100 IonicContact OE1-NE2 2.66Å; P95-H100 HydrophobicContact CG-CB 4.22Å; H100-S102 WeakPolarHBondContact NE2-CB 3.37Å; H100-S102 PolarHBondContact NE2-OG 3.31Å
101	L	97.7	Very high	94.8	Very high	12 Å²	12	67.4 Å²	67.4	6%	0.063	36%	0.357	C	S	.	.			trans	-111.5	-8.6	-173.6	-59	-179.2	0	0	0	112.7	V38 L41 K42 E90 P99 T178 L179	V38-L101 HydrophobicContact CG1-CD1 4.37Å; L41-L101 HydrophobicContact CB-CD1 3.66Å; L41-L101 HydrophobicContact CB-CD2 3.98Å; L41-L101 HydrophobicContact CD1-CD1 4.41Å; K42-L101 HydrophobicContact CD-CD1 4.02Å; K42-L101 HydrophobicContact CD-CG 4.33Å; K42-L101 HydrophobicContact CG-CD1 4.08Å; E90-L101 PolarHBondContact OE1-N 2.94Å; E90-L101 PolarHBondContact OE2-N 2.88Å; P99-L101 HydrophobicContact CB-CD2 4.3Å; P99-L101 HydrophobicContact CG-CD2 4.17Å; L101-T178 CarbonylContact O-C 3.49Å; L101-T178 VanDerWaalsContact O-CA 3.22Å; L101-T178 WeakPolarHBondContact O-CA 3.25Å; L101-T178 VanDerWaalsContact O-CB 3.24Å; L101-T178 WeakPolarHBondContact O-CB 3.47Å; L101-L179 HydrophobicContact CB-CD2 3.86Å; L101-L179 HydrophobicContact CB-CG 3.86Å; L101-L179 HydrophobicContact CD1-CD2 4.32Å; L101-L179 PolarHBondContact O-N 3.06Å
102	S	96.8	Very high	94.4	Very high	41 Å²	41	60.4 Å²	60.4	29%	0.287	33%	0.325	S	S	.	.	S	Bend	trans	-62.2	131.9	177.5	-55.5	0	0	0	0	110.2	E90 H100	E90-S102 WeakPolarHBondContact CG-OG 3.29Å; E90-S102 PolarHBondContact OE1-N 3.47Å; E90-S102 PolarHBondContact OE1-OG 3.08Å; H100-S102 WeakPolarHBondContact NE2-CB 3.37Å; H100-S102 PolarHBondContact NE2-OG 3.31Å
103	P	95.6	Very high	94.2	Very high	19 Å²	19	60 Å²	60	12%	0.123	33%	0.327	C	S	.	.			trans	-65.7	147.9	175.7	29.9	-36	0	0	0	110.8	F109 D173 T178 A180	P103-F109 HydrophobicContact CG-CD2 3.47Å; P103-F109 VanDerWaalsContact CG-CD2 3.47Å; P103-F109 HydrophobicContact CG-CE2 3.23Å; P103-F109 HydrophobicContact CG-CG 4.35Å; P103-F109 HydrophobicContact CG-CZ 3.93Å; P103-D173 WeakPolarHBondContact CA-OD2 3.47Å; P103-D173 HydrophobicContact CB-CB 3.91Å; P103-D173 WeakPolarHBondContact CB-OD2 3.19Å; P103-T178 HydrophobicContact CB-CG2 4.41Å; P103-A180 HydrophobicContact CG-CB 4.23Å
104	V	95.1	Very high	94.1	Very high	113 Å²	113	63.5 Å²	63.5	69%	0.685	35%	0.346	S	S	*	.	S	Bend	trans	-74.8	-43.9	173.3	-177.7	0	0	0	0	109.9	D173	V104-D173 PolarHBondContact N-OD2 3.16Å
105	N	94.6	Very high	94.4	Very high	30 Å²	30	61.9 Å²	61.9	16%	0.16	33%	0.333	C	S	.	.	S	Bend	trans	-88.3	116.2	179.5	-56.8	-83.2	0	0	0	110.2	E107 S108 E154 D173	N105-E107 PolarHBondContact O-N 3.07Å; N105-S108 WeakPolarHBondContact O-CB 3.41Å; N105-S108 PolarHBondContact O-N 3.05Å; N105-S108 PolarHBondContact O-OG 3.11Å; N105-S108 VanDerWaalsContact O-OG 3.11Å; N105-E154 PolarHBondContact ND2-OE2 2.67Å; N105-E154 VanDerWaalsContact ND2-OE2 3.11Å; N105-D173 WeakPolarHBondContact CB-OD1 3.42Å; N105-D173 PolarHBondContact N-OD1 3.09Å; N105-D173 PolarHBondContact ND2-OD1 3.21Å
106	K	92.1	Very high	94.6	Very high	159 Å²	159	59.7 Å²	59.7	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.6	178.5	-174.4	178.5	175.2	-177.8	0	112.8	S108 F109	K106-S108 PolarHBondContact O-N 3.18Å; K106-S108 VanDerWaalsContact O-N 3.13Å; K106-F109 PolarHBondContact O-N 3.3Å
107	E	95.1	Very high	94.8	Very high	112 Å²	112	55.6 Å²	55.6	52%	0.523	29%	0.294	S	S	.	.	H	α-helix	trans	-57.7	-27	178.1	-169.9	174.8	-170.4	0	0	112.6	N105 F109 D110 V111 Y147	N105-E107 PolarHBondContact O-N 3.07Å; E107-F109 PolarHBondContact O-N 2.95Å; E107-D110 PolarHBondContact O-N 3.08Å; E107-V111 WeakPolarHBondContact O-CG1 3.33Å; E107-V111 PolarHBondContact O-N 3.11Å; E107-Y147 HydrophobicContact CB-CE2 4.01Å; E107-Y147 HydrophobicContact CG-CD2 3.91Å; E107-Y147 HydrophobicContact CG-CE2 3.69Å
108	S	95.8	Very high	94.9	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-56.2	-32.2	174.5	-60.3	0	0	0	0	112.8	N105 K106 Y147 D173 A180	N105-S108 WeakPolarHBondContact O-CB 3.41Å; N105-S108 PolarHBondContact O-N 3.05Å; N105-S108 PolarHBondContact O-OG 3.11Å; N105-S108 VanDerWaalsContact O-OG 3.11Å; K106-S108 PolarHBondContact O-N 3.18Å; K106-S108 VanDerWaalsContact O-N 3.13Å; S108-Y147 PolarHBondContact OG-OH 3.02Å; S108-D173 PolarHBondContact OG-OD1 2.89Å; S108-A180 WeakPolarHBondContact O-CB 3.29Å
109	F	92.4	Very high	94.9	Very high	65 Å²	65	52.5 Å²	52.5	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-83	-34.3	174.2	-84.1	-62.6	0	0	0	113.5	P103 K106 E107 L179 A180	P103-F109 HydrophobicContact CG-CD2 3.47Å; P103-F109 VanDerWaalsContact CG-CD2 3.47Å; P103-F109 HydrophobicContact CG-CE2 3.23Å; P103-F109 HydrophobicContact CG-CG 4.35Å; P103-F109 HydrophobicContact CG-CZ 3.93Å; K106-F109 PolarHBondContact O-N 3.3Å; E107-F109 PolarHBondContact O-N 2.95Å; F109-L179 HydrophobicContact CE1-CB 4.07Å; F109-L179 HydrophobicContact CZ-CB 3.65Å; F109-A180 HydrophobicContact CD1-CB 3.94Å; F109-A180 HydrophobicContact CE1-CB 4.12Å; F109-A180 HydrophobicContact CG-CB 4.3Å
110	D	93.9	Very high	94.7	Very high	78 Å²	78	51.2 Å²	51.2	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-76	-32.4	-174.3	-65.5	-27.3	0	0	0	111.4	E107 G112 A113 R143	E107-D110 PolarHBondContact O-N 3.08Å; D110-G112 PolarHBondContact O-N 3.28Å; D110-A113 WeakPolarHBondContact O-CB 3.39Å; D110-A113 PolarHBondContact O-N 3.41Å; D110-R143 PolarHBondContact O-NH2 3.48Å
111	V	91.9	Very high	94.5	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	124.9	176.4	73	0	0	0	0	110.6	E107 A113 L144 Y147 L172	E107-V111 WeakPolarHBondContact O-CG1 3.33Å; E107-V111 PolarHBondContact O-N 3.11Å; V111-A113 VanDerWaalsContact C-N 3.28Å; V111-A113 PolarHBondContact O-N 3.31Å; V111-L144 HydrophobicContact CG1-CD1 4.18Å; V111-L144 HydrophobicContact CG2-CB 4.19Å; V111-L144 HydrophobicContact CG2-CD1 3.75Å; V111-Y147 HydrophobicContact CB-CD1 4.26Å; V111-Y147 HydrophobicContact CB-CG 4.24Å; V111-Y147 HydrophobicContact CG1-CD1 3.67Å; V111-Y147 HydrophobicContact CG1-CE1 3.86Å; V111-Y147 HydrophobicContact CG1-CG 4.14Å; V111-Y147 HydrophobicContact CG2-CD1 4.16Å; V111-Y147 HydrophobicContact CG2-CG 4Å; V111-L172 HydrophobicContact CG1-CD2 3.83Å
112	G	87.6	Confident	94.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	5.2	-177.4	0	0	0	0	0	115	D110 D114 I115	D110-G112 PolarHBondContact O-N 3.28Å; G112-D114 PolarHBondContact O-N 3.48Å; G112-I115 WeakPolarHBondContact O-CG2 3.41Å; G112-I115 PolarHBondContact O-N 3.09Å
113	A	92	Very high	94.1	Very high	50 Å²	50	45.9 Å²	45.9	41%	0.413	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-40.6	174	0	0	0	0	0	112.2	D110 V111	D110-A113 WeakPolarHBondContact O-CB 3.39Å; D110-A113 PolarHBondContact O-N 3.41Å; V111-A113 VanDerWaalsContact C-N 3.28Å; V111-A113 PolarHBondContact O-N 3.31Å
114	D	95.3	Very high	93.8	Very high	75 Å²	75	51 Å²	51	40%	0.401	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.4	-177.6	-70.7	-48	0	0	0	114.3	G112 F116 A117 K118 E140	G112-D114 PolarHBondContact O-N 3.48Å; D114-F116 VanDerWaalsContact C-N 3.28Å; D114-F116 PolarHBondContact O-N 2.69Å; D114-A117 WeakPolarHBondContact O-CB 3.38Å; D114-A117 PolarHBondContact O-N 3.35Å; D114-K118 WeakPolarHBondContact O-CG 3.42Å; D114-K118 PolarHBondContact O-N 3.31Å; D114-E140 HydrophobicContact CB-CG 4.39Å
115	I	97.1	Very high	93.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-40.2	-168.8	-158.5	167.6	0	0	0	112.1	G112 K118 F119 L137 E140 F141 L144 L184 L188 I191	G112-I115 WeakPolarHBondContact O-CG2 3.41Å; G112-I115 PolarHBondContact O-N 3.09Å; I115-K118 PolarHBondContact O-N 3.5Å; I115-F119 WeakPolarHBondContact O-CB 3.18Å; I115-F119 PolarHBondContact O-N 2.9Å; I115-L137 HydrophobicContact CG1-CD1 3.87Å; I115-E140 HydrophobicContact CB-CB 4.09Å; I115-E140 HydrophobicContact CD1-CB 4.34Å; I115-E140 HydrophobicContact CG1-CB 3.82Å; I115-F141 HydrophobicContact CD1-CD1 3.71Å; I115-F141 HydrophobicContact CD1-CD2 4.27Å; I115-F141 HydrophobicContact CD1-CE1 3.66Å; I115-F141 HydrophobicContact CD1-CE2 4.24Å; I115-F141 HydrophobicContact CD1-CG 4.01Å; I115-F141 HydrophobicContact CD1-CZ 3.93Å; I115-L144 HydrophobicContact CD1-CD2 4.46Å; I115-L184 HydrophobicContact CG2-CD1 3.9Å; I115-L188 HydrophobicContact CD1-CD2 3.89Å; I115-I191 HydrophobicContact CG1-CD1 4.21Å; I115-I191 HydrophobicContact CG2-CD1 4.1Å
116	F	96.3	Very high	92.1	Very high	34 Å²	34	50.2 Å²	50.2	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-74.2	-30.1	-178.9	-162	-106.2	0	0	0	112.2	P30 D114 F119 S120 K187 V190 I191 Y237	P30-F116 HydrophobicContact CG-CZ 4.21Å; D114-F116 VanDerWaalsContact C-N 3.28Å; D114-F116 PolarHBondContact O-N 2.69Å; F116-F119 HydrophobicContact CD2-CD1 4.12Å; F116-F119 HydrophobicContact CE2-CD1 4.05Å; F116-F119 HydrophobicContact CE2-CE1 4.29Å; F116-S120 VanDerWaalsContact O-CB 3.29Å; F116-S120 WeakPolarHBondContact O-CB 3.21Å; F116-S120 PolarHBondContact O-N 3.33Å; F116-S120 PolarHBondContact O-OG 3.37Å; F116-K187 HydrophobicContact CB-CB 4.22Å; F116-K187 HydrophobicContact CB-CD 3.89Å; F116-K187 HydrophobicContact CB-CG 4.2Å; F116-K187 HydrophobicContact CD2-CB 3.58Å; F116-K187 HydrophobicContact CD2-CD 4.49Å; F116-K187 HydrophobicContact CD2-CG 3.87Å; F116-K187 HydrophobicContact CE2-CB 4.18Å; F116-K187 HydrophobicContact CE2-CG 4.36Å; F116-K187 HydrophobicContact CG-CB 4.07Å; F116-K187 HydrophobicContact CG-CD 4.15Å; F116-K187 HydrophobicContact CG-CG 3.97Å; F116-V190 HydrophobicContact CE2-CB 4.11Å; F116-V190 HydrophobicContact CE2-CG1 3.87Å; F116-V190 HydrophobicContact CZ-CG1 4.22Å; F116-I191 HydrophobicContact CD2-CD1 4.17Å; F116-I191 HydrophobicContact CD2-CG1 4.13Å; F116-Y237 WeakPolarHBondContact CZ-OH 3.44Å
117	A	96.4	Very high	91	Very high	57 Å²	57	46.2 Å²	46.2	47%	0.471	26%	0.255	S	S	.	.	H	α-helix	trans	-69.7	-42.5	172.6	0	0	0	0	0	111.1	D114 S120 S121	D114-A117 WeakPolarHBondContact O-CB 3.38Å; D114-A117 PolarHBondContact O-N 3.35Å; A117-S120 PolarHBondContact O-N 3.41Å; A117-S121 PolarHBondContact O-N 2.97Å
118	K	96.4	Very high	89.7	Confident	78 Å²	78	44.8 Å²	44.8	34%	0.339	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-43.6	174.1	-58.9	-45.5	179.4	-169.1	0	111.5	D114 I115 S120 S121 F122 A136 L137 E140	D114-K118 WeakPolarHBondContact O-CG 3.42Å; D114-K118 PolarHBondContact O-N 3.31Å; I115-K118 PolarHBondContact O-N 3.5Å; K118-S120 PolarHBondContact O-N 2.9Å; K118-S121 WeakPolarHBondContact O-CB 3.41Å; K118-S121 PolarHBondContact O-N 3.32Å; K118-F122 WeakPolarHBondContact O-CB 3.42Å; K118-F122 PolarHBondContact O-N 3.46Å; K118-A136 HydrophobicContact CD-CB 4.44Å; K118-L137 HydrophobicContact CB-CB 4.44Å; K118-L137 HydrophobicContact CB-CD1 4.35Å; K118-E140 HydrophobicContact CB-CG 4.44Å; K118-E140 HydrophobicContact CG-CG 3.67Å
119	F	96.3	Very high	88.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-45.1	172.3	166.8	-110.2	0	0	0	112.3	I115 F116 S121 F122 I123 L137 V190 I191 A194 A195 Y237	I115-F119 WeakPolarHBondContact O-CB 3.18Å; I115-F119 PolarHBondContact O-N 2.9Å; F116-F119 HydrophobicContact CD2-CD1 4.12Å; F116-F119 HydrophobicContact CE2-CD1 4.05Å; F116-F119 HydrophobicContact CE2-CE1 4.29Å; F119-S121 PolarHBondContact O-N 2.95Å; F119-F122 HydrophobicContact CD2-CD1 4.37Å; F119-F122 WeakPolarHBondContact O-CB 3.46Å; F119-F122 PolarHBondContact O-N 3.35Å; F119-F122 VanDerWaalsContact O-N 3.08Å; F119-I123 HydrophobicContact CD2-CB 4.43Å; F119-I123 HydrophobicContact CE1-CD1 4.39Å; F119-I123 HydrophobicContact CE1-CG2 4.23Å; F119-I123 HydrophobicContact CE2-CB 3.9Å; F119-I123 HydrophobicContact CE2-CD1 3.71Å; F119-I123 HydrophobicContact CE2-CG1 4.32Å; F119-I123 HydrophobicContact CE2-CG2 4.32Å; F119-I123 HydrophobicContact CZ-CB 4.04Å; F119-I123 HydrophobicContact CZ-CD1 3.38Å; F119-I123 HydrophobicContact CZ-CG1 4.28Å; F119-I123 HydrophobicContact CZ-CG2 4.06Å; F119-I123 WeakPolarHBondContact O-CG2 3.29Å; F119-I123 PolarHBondContact O-N 3.43Å; F119-L137 HydrophobicContact CB-CD1 4.06Å; F119-L137 HydrophobicContact CB-CD2 4.48Å; F119-L137 HydrophobicContact CD2-CD2 4.46Å; F119-V190 HydrophobicContact CE1-CG1 4.15Å; F119-I191 HydrophobicContact CB-CD1 4.01Å; F119-I191 HydrophobicContact CB-CG1 3.75Å; F119-I191 HydrophobicContact CD1-CG1 3.63Å; F119-I191 HydrophobicContact CD2-CB 4.28Å; F119-I191 HydrophobicContact CD2-CG1 3.95Å; F119-I191 HydrophobicContact CD2-CG2 3.92Å; F119-I191 HydrophobicContact CE1-CG1 4.18Å; F119-I191 HydrophobicContact CE2-CG1 4.48Å; F119-I191 HydrophobicContact CE2-CG2 4.36Å; F119-I191 HydrophobicContact CG-CB 4.32Å; F119-I191 HydrophobicContact CG-CD1 4.31Å; F119-I191 HydrophobicContact CG-CG1 3.5Å; F119-I191 VanDerWaalsContact CG-CG1 3.5Å; F119-I191 HydrophobicContact CG-CG2 4.29Å; F119-A194 HydrophobicContact CZ-CB 3.87Å; F119-A195 HydrophobicContact CD2-CB 4.41Å; F119-A195 HydrophobicContact CE2-CB 3.84Å; F119-Y237 AromaticContact CE1-CE1 3.87Å; F119-Y237 HydrophobicContact CE1-CE1 3.87Å; F119-Y237 AromaticContact CE1-CZ 3.96Å; F119-Y237 HydrophobicContact CZ-CE1 4.21Å
120	S	94	Very high	87.7	Confident	30 Å²	30	48.2 Å²	48.2	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-36.1	178.3	-66.3	0	0	0	0	112.1	F116 A117 K118 K124	F116-S120 VanDerWaalsContact O-CB 3.29Å; F116-S120 WeakPolarHBondContact O-CB 3.21Å; F116-S120 PolarHBondContact O-N 3.33Å; F116-S120 PolarHBondContact O-OG 3.37Å; A117-S120 PolarHBondContact O-N 3.41Å; K118-S120 PolarHBondContact O-N 2.9Å; S120-K124 WeakPolarHBondContact O-CB 3.39Å; S120-K124 VanDerWaalsContact O-CD 3.26Å; S120-K124 WeakPolarHBondContact O-CD 3.41Å; S120-K124 WeakPolarHBondContact O-CG 3.4Å; S120-K124 PolarHBondContact O-N 3.4Å
121	S	92.5	Very high	87.3	Confident	55 Å²	55	48.6 Å²	48.6	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-69.2	-47.1	171.7	-173.4	0	0	0	0	111.3	A117 K118 F119 I123 K124 N125	A117-S121 PolarHBondContact O-N 2.97Å; K118-S121 WeakPolarHBondContact O-CB 3.41Å; K118-S121 PolarHBondContact O-N 3.32Å; F119-S121 PolarHBondContact O-N 2.95Å; S121-I123 PolarHBondContact O-N 2.94Å; S121-K124 PolarHBondContact O-N 2.9Å; S121-N125 PolarHBondContact O-N 2.94Å; S121-N125 PolarHBondContact O-ND2 2.9Å
122	F	92.9	Very high	87.2	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-50.9	178.7	172.9	-116.3	0	0	0	112.5	K118 F119 K124 N125 T130 Q133 E134 L137 A195 C199 F201	K118-F122 WeakPolarHBondContact O-CB 3.42Å; K118-F122 PolarHBondContact O-N 3.46Å; F119-F122 HydrophobicContact CD2-CD1 4.37Å; F119-F122 WeakPolarHBondContact O-CB 3.46Å; F119-F122 PolarHBondContact O-N 3.35Å; F119-F122 VanDerWaalsContact O-N 3.08Å; F122-K124 VanDerWaalsContact C-N 3.27Å; F122-K124 PolarHBondContact O-N 3.18Å; F122-N125 PolarHBondContact O-N 3.46Å; F122-T130 HydrophobicContact CD2-CG2 4.14Å; F122-T130 HydrophobicContact CE2-CG2 4.17Å; F122-Q133 HydrophobicContact CB-CB 4.05Å; F122-Q133 HydrophobicContact CD2-CB 4.14Å; F122-E134 HydrophobicContact CD2-CB 4.07Å; F122-E134 HydrophobicContact CE2-CB 3.72Å; F122-E134 HydrophobicContact CE2-CG 4.04Å; F122-E134 HydrophobicContact CZ-CG 4.37Å; F122-L137 HydrophobicContact CB-CD2 4.49Å; F122-L137 HydrophobicContact CD1-CD2 3.82Å; F122-L137 HydrophobicContact CE1-CD2 4.33Å; F122-L137 HydrophobicContact CG-CD2 4.28Å; F122-A195 HydrophobicContact CE1-CB 4.43Å; F122-C199 HydrophobicContact CE1-CB 3.63Å; F122-C199 HydrophobicContact CZ-CB 3.57Å; F122-F201 HydrophobicContact CE1-CB 3.91Å; F122-F201 HydrophobicContact CE1-CD2 4.43Å; F122-F201 HydrophobicContact CE1-CG 4.04Å; F122-F201 HydrophobicContact CZ-CB 3.95Å; F122-F201 HydrophobicContact CZ-CD2 4.25Å; F122-F201 HydrophobicContact CZ-CG 4.19Å
123	I	92	Very high	87.5	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-73.6	-13.5	-176.4	-158.9	164.5	0	0	0	113.8	F119 S121 A194 Y198 Y237 T241 R244	F119-I123 HydrophobicContact CD2-CB 4.43Å; F119-I123 HydrophobicContact CE1-CD1 4.39Å; F119-I123 HydrophobicContact CE1-CG2 4.23Å; F119-I123 HydrophobicContact CE2-CB 3.9Å; F119-I123 HydrophobicContact CE2-CD1 3.71Å; F119-I123 HydrophobicContact CE2-CG1 4.32Å; F119-I123 HydrophobicContact CE2-CG2 4.32Å; F119-I123 HydrophobicContact CZ-CB 4.04Å; F119-I123 HydrophobicContact CZ-CD1 3.38Å; F119-I123 HydrophobicContact CZ-CG1 4.28Å; F119-I123 HydrophobicContact CZ-CG2 4.06Å; F119-I123 WeakPolarHBondContact O-CG2 3.29Å; F119-I123 PolarHBondContact O-N 3.43Å; S121-I123 PolarHBondContact O-N 2.94Å; I123-A194 HydrophobicContact CD1-CB 3.7Å; I123-Y198 HydrophobicContact CD1-CD2 4.42Å; I123-Y237 HydrophobicContact CD1-CD1 3.63Å; I123-Y237 HydrophobicContact CD1-CE1 4.21Å; I123-Y237 HydrophobicContact CD1-CG 4.21Å; I123-Y237 HydrophobicContact CG1-CD1 4.39Å; I123-Y237 HydrophobicContact CG2-CD1 4.19Å; I123-Y237 HydrophobicContact CG2-CE1 4.08Å; I123-T241 HydrophobicContact CG1-CG2 4.07Å; I123-R244 VanDerWaalsContact C-NH2 3.28Å; I123-R244 VanDerWaalsContact CA-NH2 3.33Å; I123-R244 VanDerWaalsContact CG1-NH2 3.32Å; I123-R244 PolarHBondContact O-NE 2.9Å; I123-R244 PolarHBondContact O-NH2 3.33Å
124	K	89.3	Confident	87.6	Confident	128 Å²	128	58.3 Å²	58.3	56%	0.557	32%	0.324	S	S	*	.	H	α-helix	trans	-86.9	-19.2	175.4	-76.4	173.9	-173.4	179.9	0	113.2	S120 S121 F122 V240	S120-K124 WeakPolarHBondContact O-CB 3.39Å; S120-K124 VanDerWaalsContact O-CD 3.26Å; S120-K124 WeakPolarHBondContact O-CD 3.41Å; S120-K124 WeakPolarHBondContact O-CG 3.4Å; S120-K124 PolarHBondContact O-N 3.4Å; S121-K124 PolarHBondContact O-N 2.9Å; F122-K124 VanDerWaalsContact C-N 3.27Å; F122-K124 PolarHBondContact O-N 3.18Å; K124-V240 HydrophobicContact CG-CG1 3.54Å
125	N	82.1	Confident	87.6	Confident	55 Å²	55	60.5 Å²	60.5	29%	0.294	33%	0.33	S	S	.	.	S	Bend	trans	-91.3	155.1	-172.7	-75	-54.3	0	0	0	112.5	S121 F122 T130 Q133 R244	S121-N125 PolarHBondContact O-N 2.94Å; S121-N125 PolarHBondContact O-ND2 2.9Å; F122-N125 PolarHBondContact O-N 3.46Å; N125-T130 HydrophobicContact CB-CG2 3.94Å; N125-Q133 PolarHBondContact ND2-NE2 3.29Å; N125-R244 WeakPolarHBondContact O-CD 3.45Å; N125-R244 PolarHBondContact O-NE 3.13Å
126	N	72.1	Confident	87.5	Confident	71 Å²	71	61.3 Å²	61.3	38%	0.38	34%	0.337	S	S	.	.			trans	-67.8	130.5	176.2	-174.2	-50	0	0	0	110.1	A128 N129 T130 R244	N126-A128 PolarHBondContact O-N 3.34Å; N126-A128 WeakPolarHBondContact OD1-CB 3.33Å; N126-A128 PolarHBondContact OD1-N 2.88Å; N126-N129 PolarHBondContact O-N 3.06Å; N126-T130 WeakPolarHBondContact O-CG2 3.46Å; N126-T130 PolarHBondContact O-N 3.4Å; N126-R244 PolarHBondContact ND2-O 3.07Å
127	P	69.9	Low	87.5	Confident	75 Å²	75	59.7 Å²	59.7	49%	0.487	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-51.6	-27.8	-179	-27.6	34.4	0	0	0	115.3	N129 T130	P127-N129 PolarHBondContact O-N 3.36Å; P127-T130 PolarHBondContact O-OG1 3.31Å
128	A	68.1	Low	87.6	Confident	82 Å²	82	59 Å²	59	68%	0.678	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-65.3	-21.2	176.6	0	0	0	0	0	113.5	N126	N126-A128 PolarHBondContact O-N 3.34Å; N126-A128 WeakPolarHBondContact OD1-CB 3.33Å; N126-A128 PolarHBondContact OD1-N 2.88Å
129	N	69.1	Low	87.6	Confident	125 Å²	125	63.6 Å²	63.6	67%	0.668	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-123.2	16	-174.9	-69.2	-39.2	0	0	0	113.3	N126 P127 Q133	N126-N129 PolarHBondContact O-N 3.06Å; P127-N129 PolarHBondContact O-N 3.36Å; N129-Q133 PolarHBondContact O-OE1 2.91Å; N129-Q133 VanDerWaalsContact O-OE1 3.07Å
130	T	76.9	Confident	87.7	Confident	13 Å²	13	64.8 Å²	64.8	8%	0.08	34%	0.339	C	S	.	.			trans	-86.8	-3.4	-173.2	44.9	0	0	0	0	115.3	F122 N125 N126 P127 F132 Q133 E134	F122-T130 HydrophobicContact CD2-CG2 4.14Å; F122-T130 HydrophobicContact CE2-CG2 4.17Å; N125-T130 HydrophobicContact CB-CG2 3.94Å; N126-T130 WeakPolarHBondContact O-CG2 3.46Å; N126-T130 PolarHBondContact O-N 3.4Å; P127-T130 PolarHBondContact O-OG1 3.31Å; T130-F132 PolarHBondContact O-N 3.05Å; T130-F132 VanDerWaalsContact O-N 3.12Å; T130-Q133 PolarHBondContact O-N 3.19Å; T130-Q133 PolarHBondContact O-OE1 3.2Å; T130-E134 WeakPolarHBondContact O-CB 3.31Å; T130-E134 PolarHBondContact O-N 3.28Å
131	T	85.1	Confident	87.9	Confident	86 Å²	86	63.4 Å²	63.4	53%	0.528	33%	0.329	S	S	.	.	H	α-helix	trans	-54.8	-38.5	-173.6	-62.2	0	0	0	0	112.5	K135	T131-K135 HydrophobicContact CG2-CD 4.25Å; T131-K135 WeakPolarHBondContact O-CB 3.38Å; T131-K135 WeakPolarHBondContact O-CG 3.41Å; T131-K135 PolarHBondContact O-N 3.46Å; T131-K135 VanDerWaalsContact O-N 3.13Å
132	F	90.1	Very high	88.2	Confident	151 Å²	151	66.5 Å²	66.5	66%	0.662	34%	0.335	S	S	*	.	H	α-helix	trans	-71.2	-43.4	178.9	177.4	-96.3	0	0	0	112.3	T130 K135 A136	T130-F132 PolarHBondContact O-N 3.05Å; T130-F132 VanDerWaalsContact O-N 3.12Å; F132-K135 PolarHBondContact O-N 3.14Å; F132-A136 PolarHBondContact O-N 3.4Å
133	Q	93.1	Very high	88.4	Confident	35 Å²	35	71.1 Å²	71.1	16%	0.164	35%	0.353	C	S	.	.	H	α-helix	trans	-70	-38.6	-178.6	-65.3	80.6	-8	0	0	111.3	F122 N125 N129 T130 A136 L137	F122-Q133 HydrophobicContact CB-CB 4.05Å; F122-Q133 HydrophobicContact CD2-CB 4.14Å; N125-Q133 PolarHBondContact ND2-NE2 3.29Å; N129-Q133 PolarHBondContact O-OE1 2.91Å; N129-Q133 VanDerWaalsContact O-OE1 3.07Å; T130-Q133 PolarHBondContact O-N 3.19Å; T130-Q133 PolarHBondContact O-OE1 3.2Å; Q133-A136 WeakPolarHBondContact O-CB 3.37Å; Q133-A136 PolarHBondContact O-N 3.35Å; Q133-L137 PolarHBondContact O-N 2.93Å
134	E	93.8	Very high	88.7	Confident	72 Å²	72	71 Å²	71	34%	0.336	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-48.1	172.4	-167.8	-174.4	140.4	0	0	110.4	F122 T130 A136 L137 L138 F201	F122-E134 HydrophobicContact CD2-CB 4.07Å; F122-E134 HydrophobicContact CE2-CB 3.72Å; F122-E134 HydrophobicContact CE2-CG 4.04Å; F122-E134 HydrophobicContact CZ-CG 4.37Å; T130-E134 WeakPolarHBondContact O-CB 3.31Å; T130-E134 PolarHBondContact O-N 3.28Å; E134-A136 VanDerWaalsContact C-N 3.26Å; E134-A136 PolarHBondContact O-N 2.97Å; E134-L137 PolarHBondContact O-N 2.75Å; E134-L137 VanDerWaalsContact O-N 3.12Å; E134-L138 HydrophobicContact CG-CD1 4.21Å; E134-L138 HydrophobicContact CG-CG 4.49Å; E134-L138 WeakPolarHBondContact O-CB 3.33Å; E134-L138 VanDerWaalsContact O-CG 3.32Å; E134-L138 WeakPolarHBondContact O-CG 3.27Å; E134-L138 PolarHBondContact O-N 2.91Å; E134-F201 HydrophobicContact CG-CD2 4.01Å; E134-F201 HydrophobicContact CG-CE2 4Å
135	K	95.1	Very high	89.2	Confident	120 Å²	120	65.6 Å²	65.6	52%	0.522	33%	0.329	S	S	.	.	H	α-helix	trans	-57.3	-38.8	173.6	-77.3	174.5	-177.5	177.8	0	112.2	T131 F132 R139	T131-K135 HydrophobicContact CG2-CD 4.25Å; T131-K135 WeakPolarHBondContact O-CB 3.38Å; T131-K135 WeakPolarHBondContact O-CG 3.41Å; T131-K135 PolarHBondContact O-N 3.46Å; T131-K135 VanDerWaalsContact O-N 3.13Å; F132-K135 PolarHBondContact O-N 3.14Å; K135-R139 VanDerWaalsContact O-CG 3.28Å; K135-R139 WeakPolarHBondContact O-CG 3.41Å; K135-R139 PolarHBondContact O-N 3.33Å
136	A	95.6	Very high	89.9	Confident	18 Å²	18	67.6 Å²	67.6	15%	0.149	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-42.1	176.3	0	0	0	0	0	112.1	K118 F132 Q133 E134 R139 E140	K118-A136 HydrophobicContact CD-CB 4.44Å; F132-A136 PolarHBondContact O-N 3.4Å; Q133-A136 WeakPolarHBondContact O-CB 3.37Å; Q133-A136 PolarHBondContact O-N 3.35Å; E134-A136 VanDerWaalsContact C-N 3.26Å; E134-A136 PolarHBondContact O-N 2.97Å; A136-R139 PolarHBondContact O-N 3.34Å; A136-E140 PolarHBondContact O-N 3.47Å
137	L	96.9	Very high	91.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-43.5	174.9	179.4	59	0	0	0	111.6	I115 K118 F119 F122 Q133 E134 R139 E140 F141 F201	I115-L137 HydrophobicContact CG1-CD1 3.87Å; K118-L137 HydrophobicContact CB-CB 4.44Å; K118-L137 HydrophobicContact CB-CD1 4.35Å; F119-L137 HydrophobicContact CB-CD1 4.06Å; F119-L137 HydrophobicContact CB-CD2 4.48Å; F119-L137 HydrophobicContact CD2-CD2 4.46Å; F122-L137 HydrophobicContact CB-CD2 4.49Å; F122-L137 HydrophobicContact CD1-CD2 3.82Å; F122-L137 HydrophobicContact CE1-CD2 4.33Å; F122-L137 HydrophobicContact CG-CD2 4.28Å; Q133-L137 PolarHBondContact O-N 2.93Å; E134-L137 PolarHBondContact O-N 2.75Å; E134-L137 VanDerWaalsContact O-N 3.12Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 3.18Å; L137-E140 PolarHBondContact O-N 3.45Å; L137-E140 VanDerWaalsContact O-N 3.15Å; L137-F141 HydrophobicContact CD1-CD2 4.07Å; L137-F141 HydrophobicContact CD1-CE2 3.74Å; L137-F141 HydrophobicContact CD2-CE2 4.2Å; L137-F141 HydrophobicContact CG-CD2 3.94Å; L137-F141 HydrophobicContact CG-CE2 3.75Å; L137-F141 WeakPolarHBondContact O-CD2 3.4Å; L137-F141 PolarHBondContact O-N 2.98Å; L137-F201 HydrophobicContact CD2-CE1 4.05Å; L137-F201 HydrophobicContact CD2-CZ 4.08Å; L137-F201 HydrophobicContact CG-CZ 4.48Å
138	L	97.6	Very high	92.5	Very high	43 Å²	43	61.4 Å²	61.4	23%	0.225	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-33.3	176.1	-72.9	173.5	0	0	0	112.7	E134 F141 K142 F201 P204 F207	E134-L138 HydrophobicContact CG-CD1 4.21Å; E134-L138 HydrophobicContact CG-CG 4.49Å; E134-L138 WeakPolarHBondContact O-CB 3.33Å; E134-L138 VanDerWaalsContact O-CG 3.32Å; E134-L138 WeakPolarHBondContact O-CG 3.27Å; E134-L138 PolarHBondContact O-N 2.91Å; L138-F141 PolarHBondContact O-N 3.11Å; L138-K142 WeakPolarHBondContact O-CB 3.32Å; L138-K142 PolarHBondContact O-N 3.11Å; L138-F201 HydrophobicContact CD2-CE2 3.89Å; L138-F201 HydrophobicContact CD2-CZ 4Å; L138-F201 HydrophobicContact CG-CE2 4.26Å; L138-P204 HydrophobicContact CD2-CG 3.49Å; L138-P204 VanDerWaalsContact CD2-CG 3.49Å; L138-F207 HydrophobicContact CD2-CE2 3.97Å; L138-F207 HydrophobicContact CD2-CZ 4.46Å
139	R	97.4	Very high	93.8	Very high	174 Å²	174	58.6 Å²	58.6	66%	0.657	28%	0.275	S	S	*	.	H	α-helix	trans	-64.9	-41.5	173.4	-76.1	170.8	-176.8	-178.6	0.5	111.8	K135 A136 L137 K142 R143	K135-R139 VanDerWaalsContact O-CG 3.28Å; K135-R139 WeakPolarHBondContact O-CG 3.41Å; K135-R139 PolarHBondContact O-N 3.33Å; A136-R139 PolarHBondContact O-N 3.34Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 3.18Å; R139-K142 PolarHBondContact O-N 3.26Å; R139-R143 PolarHBondContact O-N 2.81Å
140	E	98	Very high	95.1	Very high	25 Å²	25	55.7 Å²	55.7	12%	0.117	26%	0.264	C	S	.	.	H	α-helix	trans	-67.3	-40.6	175.4	-65.9	-51.8	135.3	0	0	111.9	D114 I115 K118 A136 L137 K142 R143 L144	D114-E140 HydrophobicContact CB-CG 4.39Å; I115-E140 HydrophobicContact CB-CB 4.09Å; I115-E140 HydrophobicContact CD1-CB 4.34Å; I115-E140 HydrophobicContact CG1-CB 3.82Å; K118-E140 HydrophobicContact CB-CG 4.44Å; K118-E140 HydrophobicContact CG-CG 3.67Å; A136-E140 PolarHBondContact O-N 3.47Å; L137-E140 PolarHBondContact O-N 3.45Å; L137-E140 VanDerWaalsContact O-N 3.15Å; E140-K142 VanDerWaalsContact C-N 3.34Å; E140-K142 PolarHBondContact O-N 3.11Å; E140-R143 PolarHBondContact O-N 2.94Å; E140-R143 IonicContact OE2-NH1 2.6Å; E140-L144 PolarHBondContact O-N 3.25Å
141	F	98.4	Very high	95.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-42.8	171.8	-84.4	-64.9	0	0	0	112.1	I115 L137 L138 R143 L144 D145 L188 I191 F201 I203 F207 V210	I115-F141 HydrophobicContact CD1-CD1 3.71Å; I115-F141 HydrophobicContact CD1-CD2 4.27Å; I115-F141 HydrophobicContact CD1-CE1 3.66Å; I115-F141 HydrophobicContact CD1-CE2 4.24Å; I115-F141 HydrophobicContact CD1-CG 4.01Å; I115-F141 HydrophobicContact CD1-CZ 3.93Å; L137-F141 HydrophobicContact CD1-CD2 4.07Å; L137-F141 HydrophobicContact CD1-CE2 3.74Å; L137-F141 HydrophobicContact CD2-CE2 4.2Å; L137-F141 HydrophobicContact CG-CD2 3.94Å; L137-F141 HydrophobicContact CG-CE2 3.75Å; L137-F141 WeakPolarHBondContact O-CD2 3.4Å; L137-F141 PolarHBondContact O-N 2.98Å; L138-F141 PolarHBondContact O-N 3.11Å; F141-R143 VanDerWaalsContact C-N 3.35Å; F141-R143 PolarHBondContact O-N 3.18Å; F141-L144 PolarHBondContact O-N 2.96Å; F141-D145 VanDerWaalsContact O-CB 3.31Å; F141-D145 WeakPolarHBondContact O-CB 3.17Å; F141-D145 PolarHBondContact O-N 3.3Å; F141-L188 HydrophobicContact CE1-CD2 3.92Å; F141-L188 HydrophobicContact CZ-CD2 4.44Å; F141-I191 HydrophobicContact CE2-CG2 4.26Å; F141-I191 HydrophobicContact CZ-CG2 3.91Å; F141-F201 HydrophobicContact CD2-CZ 4.34Å; F141-F201 HydrophobicContact CE2-CE1 4Å; F141-F201 HydrophobicContact CE2-CZ 4.11Å; F141-I203 HydrophobicContact CD1-CG2 4.15Å; F141-I203 HydrophobicContact CE1-CD1 3.69Å; F141-I203 HydrophobicContact CE1-CG1 3.89Å; F141-I203 HydrophobicContact CE1-CG2 4.15Å; F141-I203 HydrophobicContact CE2-CG1 4.34Å; F141-I203 HydrophobicContact CZ-CD1 3.83Å; F141-I203 HydrophobicContact CZ-CG1 3.71Å; F141-F207 HydrophobicContact CB-CD2 3.83Å; F141-F207 HydrophobicContact CB-CE2 3.56Å; F141-F207 HydrophobicContact CB-CZ 4.17Å; F141-F207 HydrophobicContact CG-CE2 4.46Å; F141-V210 HydrophobicContact CD1-CG1 4.27Å; F141-V210 HydrophobicContact CE1-CG1 4.38Å
142	K	98.3	Very high	96.1	Very high	121 Å²	121	52.9 Å²	52.9	53%	0.526	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-42.4	175.9	-174.5	177.2	-178.6	179.6	0	111.7	L138 R139 E140 D145 L146 F207	L138-K142 WeakPolarHBondContact O-CB 3.32Å; L138-K142 PolarHBondContact O-N 3.11Å; R139-K142 PolarHBondContact O-N 3.26Å; E140-K142 VanDerWaalsContact C-N 3.34Å; E140-K142 PolarHBondContact O-N 3.11Å; K142-D145 PolarHBondContact O-N 3.49Å; K142-L146 HydrophobicContact CG-CD1 4.15Å; K142-L146 HydrophobicContact CG-CG 4.4Å; K142-L146 WeakPolarHBondContact O-CB 3.34Å; K142-L146 VanDerWaalsContact O-CG 3.23Å; K142-L146 WeakPolarHBondContact O-CG 3.27Å; K142-L146 PolarHBondContact O-N 3.31Å; K142-F207 HydrophobicContact CB-CE1 3.79Å; K142-F207 HydrophobicContact CB-CZ 4.05Å; K142-F207 HydrophobicContact CG-CE1 4.2Å
143	R	98.1	Very high	95.9	Very high	98 Å²	98	49.7 Å²	49.7	37%	0.37	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-45.6	176.5	-179.8	-179.2	160.3	-157	-5.7	111.3	D110 R139 E140 F141 Y147	D110-R143 PolarHBondContact O-NH2 3.48Å; R139-R143 PolarHBondContact O-N 2.81Å; E140-R143 PolarHBondContact O-N 2.94Å; E140-R143 IonicContact OE2-NH1 2.6Å; F141-R143 VanDerWaalsContact C-N 3.35Å; F141-R143 PolarHBondContact O-N 3.18Å; R143-Y147 PolarHBondContact O-N 2.99Å; R143-Y147 VanDerWaalsContact O-N 3.09Å
144	L	98.4	Very high	95.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-43.2	175.3	178.5	62.1	0	0	0	112.3	V111 I115 E140 F141 Y147 L148 L172 L184 L188 V210	V111-L144 HydrophobicContact CG1-CD1 4.18Å; V111-L144 HydrophobicContact CG2-CB 4.19Å; V111-L144 HydrophobicContact CG2-CD1 3.75Å; I115-L144 HydrophobicContact CD1-CD2 4.46Å; E140-L144 PolarHBondContact O-N 3.25Å; F141-L144 PolarHBondContact O-N 2.96Å; L144-Y147 PolarHBondContact O-N 2.94Å; L144-L148 HydrophobicContact CD1-CD1 3.97Å; L144-L148 HydrophobicContact CD1-CG 4.23Å; L144-L148 HydrophobicContact CG-CD1 3.85Å; L144-L148 WeakPolarHBondContact O-CB 3.44Å; L144-L148 WeakPolarHBondContact O-CG 3.36Å; L144-L148 PolarHBondContact O-N 2.89Å; L144-L172 HydrophobicContact CD1-CD2 3.88Å; L144-L184 HydrophobicContact CD1-CD2 3.78Å; L144-L184 HydrophobicContact CD2-CD2 3.99Å; L144-L188 HydrophobicContact CD2-CD1 4.18Å; L144-L188 HydrophobicContact CD2-CD2 4.33Å; L144-V210 HydrophobicContact CB-CG2 4.37Å; L144-V210 HydrophobicContact CD2-CG2 4.06Å; L144-V210 HydrophobicContact CG-CG2 4.01Å
145	D	98.4	Very high	95.2	Very high	14 Å²	14	52 Å²	52	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-44.3	179	-171.8	69.8	0	0	0	112.5	F141 K142 Y147 L148 N149 F207 T208 G209 V210	F141-D145 VanDerWaalsContact O-CB 3.31Å; F141-D145 WeakPolarHBondContact O-CB 3.17Å; F141-D145 PolarHBondContact O-N 3.3Å; K142-D145 PolarHBondContact O-N 3.49Å; D145-Y147 VanDerWaalsContact C-N 3.34Å; D145-Y147 PolarHBondContact O-N 3.28Å; D145-L148 PolarHBondContact O-N 3.2Å; D145-N149 WeakPolarHBondContact O-CB 3.22Å; D145-N149 PolarHBondContact O-N 3.48Å; D145-N149 PolarHBondContact O-ND2 2.93Å; D145-N149 PolarHBondContact OD1-ND2 2.8Å; D145-N149 PolarHBondContact OD2-ND2 2.83Å; D145-N149 VanDerWaalsContact OD2-ND2 3.15Å; D145-F207 HydrophobicContact CB-CB 4.06Å; D145-F207 HydrophobicContact CB-CD1 3.85Å; D145-F207 HydrophobicContact CB-CG 4.22Å; D145-F207 WeakPolarHBondContact OD1-CA 3.28Å; D145-T208 PolarHBondContact OD1-N 3.36Å; D145-G209 VanDerWaalsContact OD1-CA 3.26Å; D145-G209 WeakPolarHBondContact OD1-CA 3.24Å; D145-G209 PolarHBondContact OD1-N 3.49Å; D145-V210 HydrophobicContact CB-CG2 3.82Å; D145-V210 PolarHBondContact OD1-N 3.42Å; D145-V210 VanDerWaalsContact OD1-N 3.09Å
146	L	97.5	Very high	94.7	Very high	97 Å²	97	49.9 Å²	49.9	51%	0.508	25%	0.247	S	C	.	.	H	α-helix	trans	-60	-45.4	175.3	-73.5	172.5	0	0	0	111.2	K142 N149 S150	K142-L146 HydrophobicContact CG-CD1 4.15Å; K142-L146 HydrophobicContact CG-CG 4.4Å; K142-L146 WeakPolarHBondContact O-CB 3.34Å; K142-L146 VanDerWaalsContact O-CG 3.23Å; K142-L146 WeakPolarHBondContact O-CG 3.27Å; K142-L146 PolarHBondContact O-N 3.31Å; L146-N149 PolarHBondContact O-N 2.79Å; L146-S150 WeakPolarHBondContact O-CB 3.4Å; L146-S150 PolarHBondContact O-N 2.73Å; L146-S150 PolarHBondContact O-OG 3.47Å
147	Y	97.5	Very high	93.8	Very high	14 Å²	14	53.5 Å²	53.5	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-49.3	175.5	177.1	-100.5	0	0	0	111.9	E107 S108 V111 R143 L144 D145 N149 S150 R169 L172	E107-Y147 HydrophobicContact CB-CE2 4.01Å; E107-Y147 HydrophobicContact CG-CD2 3.91Å; E107-Y147 HydrophobicContact CG-CE2 3.69Å; S108-Y147 PolarHBondContact OG-OH 3.02Å; V111-Y147 HydrophobicContact CB-CD1 4.26Å; V111-Y147 HydrophobicContact CB-CG 4.24Å; V111-Y147 HydrophobicContact CG1-CD1 3.67Å; V111-Y147 HydrophobicContact CG1-CE1 3.86Å; V111-Y147 HydrophobicContact CG1-CG 4.14Å; V111-Y147 HydrophobicContact CG2-CD1 4.16Å; V111-Y147 HydrophobicContact CG2-CG 4Å; R143-Y147 PolarHBondContact O-N 2.99Å; R143-Y147 VanDerWaalsContact O-N 3.09Å; L144-Y147 PolarHBondContact O-N 2.94Å; D145-Y147 VanDerWaalsContact C-N 3.34Å; D145-Y147 PolarHBondContact O-N 3.28Å; Y147-N149 VanDerWaalsContact C-N 3.26Å; Y147-N149 PolarHBondContact O-N 3.38Å; Y147-S150 PolarHBondContact O-N 2.65Å; Y147-S150 VanDerWaalsContact O-N 3.17Å; Y147-R169 VanDerWaalsContact CD1-NH2 3.32Å; Y147-R169 PolarHBondContact O-NH2 2.72Å; Y147-L172 HydrophobicContact CD1-CD2 4.21Å; Y147-L172 HydrophobicContact CE1-CD2 4.03Å; Y147-L172 WeakPolarHBondContact CE1-O 3.31Å; Y147-L172 PolarHBondContact OH-O 3.17Å
148	L	97.9	Very high	92.9	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-29.4	179.9	-74.7	166.4	0	0	0	113	L144 D145 S167 L172 V210 R212 Y213	L144-L148 HydrophobicContact CD1-CD1 3.97Å; L144-L148 HydrophobicContact CD1-CG 4.23Å; L144-L148 HydrophobicContact CG-CD1 3.85Å; L144-L148 WeakPolarHBondContact O-CB 3.44Å; L144-L148 WeakPolarHBondContact O-CG 3.36Å; L144-L148 PolarHBondContact O-N 2.89Å; D145-L148 PolarHBondContact O-N 3.2Å; L148-S167 WeakPolarHBondContact O-CB 3.47Å; L148-L172 HydrophobicContact CD2-CD2 4.15Å; L148-V210 HydrophobicContact CD1-CG2 4.1Å; L148-R212 PolarHBondContact O-NH2 2.87Å; L148-Y213 HydrophobicContact CD1-CD1 4.24Å; L148-Y213 HydrophobicContact CD1-CG 4.14Å; L148-Y213 HydrophobicContact CD2-CD2 4.36Å; L148-Y213 HydrophobicContact CD2-CG 4.2Å
149	N	97.1	Very high	91.8	Very high	23 Å²	23	66.6 Å²	66.6	12%	0.123	33%	0.328	C	S	.	.	H	α-helix	trans	-87.4	-18.3	177	-72.9	-38.8	0	0	0	113.2	D145 L146 Y147 L166 S167 G209 R212	D145-N149 WeakPolarHBondContact O-CB 3.22Å; D145-N149 PolarHBondContact O-N 3.48Å; D145-N149 PolarHBondContact O-ND2 2.93Å; D145-N149 PolarHBondContact OD1-ND2 2.8Å; D145-N149 PolarHBondContact OD2-ND2 2.83Å; D145-N149 VanDerWaalsContact OD2-ND2 3.15Å; L146-N149 PolarHBondContact O-N 2.79Å; Y147-N149 VanDerWaalsContact C-N 3.26Å; Y147-N149 PolarHBondContact O-N 3.38Å; N149-L166 HydrophobicContact CB-CD2 4.32Å; N149-L166 WeakPolarHBondContact O-CA 3.17Å; N149-S167 PolarHBondContact O-N 2.89Å; N149-G209 WeakPolarHBondContact OD1-CA 3.37Å; N149-R212 PolarHBondContact OD1-NH1 3.34Å
150	S	95.2	Very high	90.9	Very high	64 Å²	64	60.9 Å²	60.9	45%	0.448	32%	0.315	S	S	.	.	S	Bend	trans	-83.1	126.1	178.8	-59.1	0	0	0	0	110.1	L146 Y147 R169	L146-S150 WeakPolarHBondContact O-CB 3.4Å; L146-S150 PolarHBondContact O-N 2.73Å; L146-S150 PolarHBondContact O-OG 3.47Å; Y147-S150 PolarHBondContact O-N 2.65Å; Y147-S150 VanDerWaalsContact O-N 3.17Å; S150-R169 PolarHBondContact O-NH1 2.87Å
151	P	92.6	Very high	89.7	Confident	33 Å²	33	72 Å²	72	21%	0.214	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-58	137.2	177.5	-23.5	34.1	0	0	0	112.3	E155 I156 I164	P151-E155 HydrophobicContact CB-CB 4.35Å; P151-I156 HydrophobicContact CB-CG1 4.17Å; P151-I164 HydrophobicContact CB-CG2 4.33Å; P151-I164 HydrophobicContact CG-CB 4.43Å; P151-I164 HydrophobicContact CG-CG2 3.8Å; P151-I164 WeakPolarHBondContact CG-O 3.4Å
152	V	90.1	Very high	88.5	Confident	8 Å²	8	79.7 Å²	79.7	5%	0.048	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-82	159.9	169.4	-69.2	0	0	0	0	110.4	E154 E155	V152-E154 WeakPolarHBondContact CB-OE2 3.46Å; V152-E154 HydrophobicContact CG2-CB 4.48Å; V152-E154 WeakPolarHBondContact CG2-OE2 3.29Å; V152-E154 PolarHBondContact O-N 2.76Å; V152-E154 VanDerWaalsContact O-N 3.09Å; V152-E155 HydrophobicContact CG2-CB 4.47Å; V152-E155 HydrophobicContact CG2-CG 3.87Å; V152-E155 PolarHBondContact N-OE2 3.28Å; V152-E155 PolarHBondContact O-N 3.35Å
153	P	87.8	Confident	87.1	Confident	83 Å²	83	78.8 Å²	78.8	54%	0.539	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-51	-36	-178.7	-29	37.1	0	0	0	114	E155 I156	P153-E155 VanDerWaalsContact C-N 3.25Å; P153-E155 PolarHBondContact O-N 2.88Å; P153-I156 PolarHBondContact O-N 2.64Å; P153-I156 VanDerWaalsContact O-N 3.17Å
154	E	87.3	Confident	85.9	Confident	111 Å²	111	78.1 Å²	78.1	52%	0.519	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-69.1	-20.3	-179.8	-60.4	76.7	-165.8	0	0	113.6	N105 V152	N105-E154 PolarHBondContact ND2-OE2 2.67Å; N105-E154 VanDerWaalsContact ND2-OE2 3.11Å; V152-E154 WeakPolarHBondContact CB-OE2 3.46Å; V152-E154 HydrophobicContact CG2-CB 4.48Å; V152-E154 WeakPolarHBondContact CG2-OE2 3.29Å; V152-E154 PolarHBondContact O-N 2.76Å; V152-E154 VanDerWaalsContact O-N 3.09Å
155	E	84.3	Confident	85.1	Confident	44 Å²	44	83.4 Å²	83.4	21%	0.206	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-85.4	-16.5	175.2	-69	-178.7	102	0	0	112.1	P151 V152 P153 D157 I164 S167 K168 R169	P151-E155 HydrophobicContact CB-CB 4.35Å; V152-E155 HydrophobicContact CG2-CB 4.47Å; V152-E155 HydrophobicContact CG2-CG 3.87Å; V152-E155 PolarHBondContact N-OE2 3.28Å; V152-E155 PolarHBondContact O-N 3.35Å; P153-E155 VanDerWaalsContact C-N 3.25Å; P153-E155 PolarHBondContact O-N 2.88Å; E155-D157 PolarHBondContact O-N 3.03Å; E155-I164 VanDerWaalsContact O-CD1 3.23Å; E155-I164 WeakPolarHBondContact O-CD1 3.26Å; E155-S167 PolarHBondContact OE1-OG 3.36Å; E155-S167 WeakPolarHBondContact OE2-CB 3.46Å; E155-S167 PolarHBondContact OE2-OG 2.88Å; E155-K168 PolarHBondContact OE1-N 2.93Å; E155-K168 VanDerWaalsContact OE1-N 3.12Å; E155-R169 PolarHBondContact OE1-N 2.9Å; E155-R169 IonicContact OE2-NH1 3.66Å
156	I	83.4	Confident	84.6	Confident	77 Å²	77	88 Å²	88	40%	0.395	46%	0.46	S	S	.	.			trans	-88	105.2	-172.2	-60.5	169.5	0	0	0	110	P151 P153 H158	P151-I156 HydrophobicContact CB-CG1 4.17Å; P153-I156 PolarHBondContact O-N 2.64Å; P153-I156 VanDerWaalsContact O-N 3.17Å; I156-H158 PolarHBondContact O-N 3.05Å
157	D	78.3	Confident	84.5	Confident	93 Å²	93	83.5 Å²	83.5	50%	0.497	44%	0.437	S	S	.	.			trans	-82.4	102	168	-177.9	4.8	0	0	0	110.3	E155 N159 S160	E155-D157 PolarHBondContact O-N 3.03Å; D157-N159 PolarHBondContact O-N 3.46Å; D157-N159 VanDerWaalsContact O-N 3.13Å; D157-N159 WeakPolarHBondContact OD1-CB 2.97Å; D157-N159 PolarHBondContact OD1-N 2.8Å; D157-S160 WeakPolarHBondContact O-CB 3.37Å; D157-S160 PolarHBondContact O-N 2.77Å
158	H	76.4	Confident	84.3	Confident	167 Å²	167	91.5 Å²	91.5	77%	0.773	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.6	177.7	-66.9	-62.6	0	0	0	114.3	I156	I156-H158 PolarHBondContact O-N 3.05Å
159	N	75.6	Confident	84.2	Confident	151 Å²	151	91.6 Å²	91.6	81%	0.807	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-7.1	176.9	-61.8	-48.5	0	0	0	113.1	D157	D157-N159 PolarHBondContact O-N 3.46Å; D157-N159 VanDerWaalsContact O-N 3.13Å; D157-N159 WeakPolarHBondContact OD1-CB 2.97Å; D157-N159 PolarHBondContact OD1-N 2.8Å
160	S	78.5	Confident	84.2	Confident	55 Å²	55	95.3 Å²	95.3	39%	0.385	49%	0.487	S	S	.	.			trans	-75.9	139.8	176.6	-179	0	0	0	0	111.1	D157 E162	D157-S160 WeakPolarHBondContact O-CB 3.37Å; D157-S160 PolarHBondContact O-N 2.77Å; S160-E162 VanDerWaalsContact C-N 3.26Å; S160-E162 PolarHBondContact OG-N 3.04Å; S160-E162 VanDerWaalsContact OG-N 3.09Å; S160-E162 PolarHBondContact OG-O 3.25Å
161	R	71.6	Confident	84.4	Confident	257 Å²	257	92.4 Å²	92.4	97%	0.97	47%	0.466	S	S	*	.	S	Bend	trans	-77.8	-14.3	170.6	-70.4	-176.9	170.8	179.8	-2.6	112.7
162	E	73.8	Confident	84.6	Confident	163 Å²	163	90.8 Å²	90.8	76%	0.762	46%	0.456	S	S	*	.	S	Bend	trans	-93.8	120.1	176.7	-66.1	-175.2	-179	0	0	109.9	S160 I164	S160-E162 VanDerWaalsContact C-N 3.26Å; S160-E162 PolarHBondContact OG-N 3.04Å; S160-E162 VanDerWaalsContact OG-N 3.09Å; S160-E162 PolarHBondContact OG-O 3.25Å; E162-I164 PolarHBondContact O-N 3.44Å
163	S	69.9	Low	85	Confident	102 Å²	102	91.3 Å²	91.3	71%	0.713	46%	0.458	S	S	*	.			trans	-76.4	115.5	170.5	52.5	0	0	0	0	109.7	T165	S163-T165 PolarHBondContact O-N 3.41Å; S163-T165 VanDerWaalsContact O-N 3.09Å
164	I	72.9	Confident	85.4	Confident	84 Å²	84	88.1 Å²	88.1	43%	0.431	44%	0.441	S	S	.	.			trans	-69.7	109.4	168.5	-58.1	-178.3	0	0	0	106.9	P151 E155 E162 L166	P151-I164 HydrophobicContact CB-CG2 4.33Å; P151-I164 HydrophobicContact CG-CB 4.43Å; P151-I164 HydrophobicContact CG-CG2 3.8Å; P151-I164 WeakPolarHBondContact CG-O 3.4Å; E155-I164 VanDerWaalsContact O-CD1 3.23Å; E155-I164 WeakPolarHBondContact O-CD1 3.26Å; E162-I164 PolarHBondContact O-N 3.44Å; I164-L166 VanDerWaalsContact CG2-O 3.27Å; I164-L166 WeakPolarHBondContact CG2-O 3.38Å
165	T	80.1	Confident	85.8	Confident	110 Å²	110	87.1 Å²	87.1	68%	0.675	44%	0.439	S	S	*	.			trans	-96.1	-19.2	177.9	48.6	0	0	0	0	112.4	S163	S163-T165 PolarHBondContact O-N 3.41Å; S163-T165 VanDerWaalsContact O-N 3.09Å
166	L	88.9	Confident	86.4	Confident	111 Å²	111	92 Å²	92	58%	0.581	46%	0.461	S	S	*	.	S	Bend	trans	-132.1	125.3	179.5	-68.5	172.9	0	0	0	110.1	N149 I164	N149-L166 HydrophobicContact CB-CD2 4.32Å; N149-L166 WeakPolarHBondContact O-CA 3.17Å; I164-L166 VanDerWaalsContact CG2-O 3.27Å; I164-L166 WeakPolarHBondContact CG2-O 3.38Å
167	S	94.4	Very high	87.2	Confident	3 Å²	3	88.6 Å²	88.6	2%	0.021	44%	0.444	C	S	.	.			trans	-63.1	143	174.7	-179.7	0	0	0	0	111.4	L148 N149 E155 R169 R212	L148-S167 WeakPolarHBondContact O-CB 3.47Å; N149-S167 PolarHBondContact O-N 2.89Å; E155-S167 PolarHBondContact OE1-OG 3.36Å; E155-S167 WeakPolarHBondContact OE2-CB 3.46Å; E155-S167 PolarHBondContact OE2-OG 2.88Å; S167-R169 VanDerWaalsContact OG-CG 3.28Å; S167-R169 WeakPolarHBondContact OG-CG 3.35Å; S167-R169 PolarHBondContact OG-N 3.2Å; S167-R169 PolarHBondContact OG-NH1 3.47Å; S167-R212 PolarHBondContact O-NH2 3.47Å
168	K	93.5	Very high	88.1	Confident	182 Å²	182	84.8 Å²	84.8	79%	0.791	42%	0.424	S	S	*	.			trans	-113.1	4.2	174.3	-65.5	-179.4	-176.4	172.4	0	112.1	E155	E155-K168 PolarHBondContact OE1-N 2.93Å; E155-K168 VanDerWaalsContact OE1-N 3.12Å
169	R	96.6	Very high	89.1	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.008	39%	0.389	C	S	.	.			trans	-58	147.9	179.7	78.1	-176.5	-179.9	-94	8.1	112.2	Y147 S150 E155 S167 F171 L172 R212	Y147-R169 VanDerWaalsContact CD1-NH2 3.32Å; Y147-R169 PolarHBondContact O-NH2 2.72Å; S150-R169 PolarHBondContact O-NH1 2.87Å; E155-R169 PolarHBondContact OE1-N 2.9Å; E155-R169 IonicContact OE2-NH1 3.66Å; S167-R169 VanDerWaalsContact OG-CG 3.28Å; S167-R169 WeakPolarHBondContact OG-CG 3.35Å; S167-R169 PolarHBondContact OG-N 3.2Å; S167-R169 PolarHBondContact OG-NH1 3.47Å; R169-F171 VanDerWaalsContact CD-O 3.23Å; R169-F171 WeakPolarHBondContact CD-O 3.25Å; R169-F171 VanDerWaalsContact CG-O 3.24Å; R169-F171 WeakPolarHBondContact CG-O 3.44Å; R169-F171 PolarHBondContact NE-O 3.26Å; R169-L172 PolarHBondContact NE-O 3.02Å; R169-L172 PolarHBondContact NH2-O 3.27Å; R169-R212 PolarHBondContact O-NE 3.05Å
170	K	98	Very high	90.2	Very high	102 Å²	102	70.1 Å²	70.1	44%	0.443	35%	0.351	S	S	.	.	S	Bend	trans	-79.8	-37.6	-178.4	-64.5	-174.7	177.4	-171.1	0	112.9	G174 N175 N216	K170-G174 PolarHBondContact N-O 3.01Å; K170-N175 PolarHBondContact N-OD1 3.02Å; K170-N216 HydrophobicContact CB-CB 4.26Å
171	F	98.4	Very high	91.2	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.009	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-130.1	-178.2	-171.1	-53.7	-61.8	0	0	0	112	R169 D173 G174 N175 H176 L177 Y213 N216 R220	R169-F171 VanDerWaalsContact CD-O 3.23Å; R169-F171 WeakPolarHBondContact CD-O 3.25Å; R169-F171 VanDerWaalsContact CG-O 3.24Å; R169-F171 WeakPolarHBondContact CG-O 3.44Å; R169-F171 PolarHBondContact NE-O 3.26Å; F171-D173 VanDerWaalsContact C-N 3.34Å; F171-D173 PolarHBondContact O-N 3.11Å; F171-G174 WeakPolarHBondContact CA-O 3.39Å; F171-G174 PolarHBondContact N-O 3.2Å; F171-N175 WeakPolarHBondContact CD2-O 3.45Å; F171-N175 WeakPolarHBondContact CE2-O 3.28Å; F171-H176 VanDerWaalsContact CD2-C 3.5Å; F171-L177 HydrophobicContact CB-CD2 4.48Å; F171-L177 HydrophobicContact CD1-CD2 3.48Å; F171-L177 VanDerWaalsContact CD1-CD2 3.48Å; F171-L177 HydrophobicContact CD1-CG 4.26Å; F171-L177 HydrophobicContact CD2-CD2 4.2Å; F171-L177 HydrophobicContact CD2-CG 4.19Å; F171-L177 HydrophobicContact CE1-CD2 3.66Å; F171-L177 HydrophobicContact CE1-CG 4.17Å; F171-L177 HydrophobicContact CE2-CD2 4.36Å; F171-L177 HydrophobicContact CE2-CG 4.1Å; F171-L177 HydrophobicContact CG-CD2 3.78Å; F171-L177 HydrophobicContact CG-CG 4.27Å; F171-L177 HydrophobicContact CZ-CD2 4.12Å; F171-L177 HydrophobicContact CZ-CG 4.11Å; F171-Y213 HydrophobicContact CB-CE2 4.12Å; F171-Y213 HydrophobicContact CD1-CD2 4.14Å; F171-Y213 AromaticContact CD1-CE2 3.89Å; F171-Y213 HydrophobicContact CD1-CE2 3.89Å; F171-N216 HydrophobicContact CE1-CB 3.93Å; F171-N216 HydrophobicContact CZ-CB 4.29Å; F171-R220 HydrophobicContact CE1-CG 4.42Å; F171-R220 HydrophobicContact CZ-CG 3.82Å
172	L	97.8	Very high	92.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-46.1	-170.7	-76.4	168.4	0	0	0	113.1	V111 L144 Y147 L148 R169 A180 D181 L184 Y213	V111-L172 HydrophobicContact CG1-CD2 3.83Å; L144-L172 HydrophobicContact CD1-CD2 3.88Å; Y147-L172 HydrophobicContact CD1-CD2 4.21Å; Y147-L172 HydrophobicContact CE1-CD2 4.03Å; Y147-L172 WeakPolarHBondContact CE1-O 3.31Å; Y147-L172 PolarHBondContact OH-O 3.17Å; L148-L172 HydrophobicContact CD2-CD2 4.15Å; R169-L172 PolarHBondContact NE-O 3.02Å; R169-L172 PolarHBondContact NH2-O 3.27Å; L172-A180 HydrophobicContact CD1-CB 3.79Å; L172-D181 WeakPolarHBondContact CB-OD1 3.46Å; L172-D181 WeakPolarHBondContact CD1-OD1 3.47Å; L172-D181 VanDerWaalsContact CG-OD1 3.28Å; L172-D181 WeakPolarHBondContact CG-OD1 3.35Å; L172-D181 PolarHBondContact N-OD1 3.37Å; L172-L184 HydrophobicContact CD1-CB 4.22Å; L172-L184 HydrophobicContact CD1-CD2 3.89Å; L172-L184 HydrophobicContact CD2-CD2 4.08Å; L172-L184 HydrophobicContact CG-CD2 4.46Å; L172-Y213 HydrophobicContact CG-CE2 4.26Å
173	D	96.9	Very high	93.6	Very high	19 Å²	19	48.4 Å²	48.4	10%	0.102	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	8.1	-170.9	-156.5	58.6	0	0	0	113.4	P103 V104 N105 S108 F171 T178	P103-D173 WeakPolarHBondContact CA-OD2 3.47Å; P103-D173 HydrophobicContact CB-CB 3.91Å; P103-D173 WeakPolarHBondContact CB-OD2 3.19Å; V104-D173 PolarHBondContact N-OD2 3.16Å; N105-D173 WeakPolarHBondContact CB-OD1 3.42Å; N105-D173 PolarHBondContact N-OD1 3.09Å; N105-D173 PolarHBondContact ND2-OD1 3.21Å; S108-D173 PolarHBondContact OG-OD1 2.89Å; F171-D173 VanDerWaalsContact C-N 3.34Å; F171-D173 PolarHBondContact O-N 3.11Å; D173-T178 HydrophobicContact CB-CG2 3.84Å
174	G	96.4	Very high	94.9	Very high	16 Å²	16	43.7 Å²	43.7	17%	0.165	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	150.1	-145.2	-179	0	0	0	0	0	113.5	K170 F171	K170-G174 PolarHBondContact N-O 3.01Å; F171-G174 WeakPolarHBondContact CA-O 3.39Å; F171-G174 PolarHBondContact N-O 3.2Å
175	N	97	Very high	96.2	Very high	89 Å²	89	39.7 Å²	39.7	48%	0.476	20%	0.202	S	C	.	.	S	Bend	trans	-96.7	-1.9	-177.2	-70.7	-33.4	0	0	0	114.4	K170 F171	K170-N175 PolarHBondContact N-OD1 3.02Å; F171-N175 WeakPolarHBondContact CD2-O 3.45Å; F171-N175 WeakPolarHBondContact CE2-O 3.28Å
176	H	96.8	Very high	97	Very high	146 Å²	146	34.5 Å²	34.5	68%	0.676	17%	0.17	S	C	*	.	S	Bend	trans	-117.3	148.9	175.9	-60.4	-74.2	0	0	0	110.2	F171	F171-H176 VanDerWaalsContact CD2-C 3.5Å
177	L	98.5	Very high	97.5	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	15%	0.147	C	C	.	.			trans	-70.4	138.6	175.9	-71.8	167.4	0	0	0	110	L41 F171 D181 L185 R220 E222	L41-L177 HydrophobicContact CD1-CB 3.69Å; L41-L177 HydrophobicContact CD1-CD1 4.46Å; L41-L177 HydrophobicContact CD2-CB 3.97Å; L41-L177 HydrophobicContact CD2-CD1 4.02Å; F171-L177 HydrophobicContact CB-CD2 4.48Å; F171-L177 HydrophobicContact CD1-CD2 3.48Å; F171-L177 VanDerWaalsContact CD1-CD2 3.48Å; F171-L177 HydrophobicContact CD1-CG 4.26Å; F171-L177 HydrophobicContact CD2-CD2 4.2Å; F171-L177 HydrophobicContact CD2-CG 4.19Å; F171-L177 HydrophobicContact CE1-CD2 3.66Å; F171-L177 HydrophobicContact CE1-CG 4.17Å; F171-L177 HydrophobicContact CE2-CD2 4.36Å; F171-L177 HydrophobicContact CE2-CG 4.1Å; F171-L177 HydrophobicContact CG-CD2 3.78Å; F171-L177 HydrophobicContact CG-CG 4.27Å; F171-L177 HydrophobicContact CZ-CD2 4.12Å; F171-L177 HydrophobicContact CZ-CG 4.11Å; L177-D181 HydrophobicContact CD2-CB 3.61Å; L177-L185 HydrophobicContact CD2-CD1 3.84Å; L177-R220 HydrophobicContact CD1-CB 4.37Å; L177-R220 HydrophobicContact CD1-CG 4.46Å; L177-E222 HydrophobicContact CD1-CB 4.31Å
178	T	98.3	Very high	97.7	Very high	13 Å²	13	30.3 Å²	30.3	8%	0.08	15%	0.146	C	C	.	.			trans	-121.2	174.8	179.8	64.1	0	0	0	0	111.4	L101 P103 D173 A180 D181 C182	L101-T178 CarbonylContact O-C 3.49Å; L101-T178 VanDerWaalsContact O-CA 3.22Å; L101-T178 WeakPolarHBondContact O-CA 3.25Å; L101-T178 VanDerWaalsContact O-CB 3.24Å; L101-T178 WeakPolarHBondContact O-CB 3.47Å; P103-T178 HydrophobicContact CB-CG2 4.41Å; D173-T178 HydrophobicContact CB-CG2 3.84Å; T178-A180 PolarHBondContact O-N 3.18Å; T178-A180 PolarHBondContact OG1-N 2.68Å; T178-D181 PolarHBondContact N-OD2 3.24Å; T178-D181 WeakPolarHBondContact O-CB 3.39Å; T178-D181 PolarHBondContact O-N 2.89Å; T178-D181 PolarHBondContact OG1-OD2 3.02Å; T178-C182 PolarHBondContact O-N 3.33Å; T178-C182 PolarHBondContact O-SG 3.27Å
179	L	98.1	Very high	97.9	Very high	8 Å²	8	22 Å²	22	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-31.2	171.8	-64.6	-176.9	0	0	0	112.6	V38 E86 E90 L101 F109 D181 C182 N183	V38-L179 HydrophobicContact CG1-CD2 4.16Å; V38-L179 HydrophobicContact CG2-CD2 3.62Å; E86-L179 HydrophobicContact CG-CD1 4.2Å; E86-L179 HydrophobicContact CG-CD2 3.96Å; E90-L179 HydrophobicContact CB-CD1 4.33Å; E90-L179 HydrophobicContact CG-CD1 4.08Å; L101-L179 HydrophobicContact CB-CD2 3.86Å; L101-L179 HydrophobicContact CB-CG 3.86Å; L101-L179 HydrophobicContact CD1-CD2 4.32Å; L101-L179 PolarHBondContact O-N 3.06Å; F109-L179 HydrophobicContact CE1-CB 4.07Å; F109-L179 HydrophobicContact CZ-CB 3.65Å; L179-D181 VanDerWaalsContact C-N 3.34Å; L179-C182 PolarHBondContact O-N 2.94Å; L179-N183 WeakPolarHBondContact O-CB 3.28Å; L179-N183 PolarHBondContact O-N 2.79Å
180	A	98.1	Very high	98	Very high	1 Å²	1	22 Å²	22	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.6	0	0	0	0	0	111.6	P103 S108 F109 L172 T178 N183 L184	P103-A180 HydrophobicContact CG-CB 4.23Å; S108-A180 WeakPolarHBondContact O-CB 3.29Å; F109-A180 HydrophobicContact CD1-CB 3.94Å; F109-A180 HydrophobicContact CE1-CB 4.12Å; F109-A180 HydrophobicContact CG-CB 4.3Å; L172-A180 HydrophobicContact CD1-CB 3.79Å; T178-A180 PolarHBondContact O-N 3.18Å; T178-A180 PolarHBondContact OG1-N 2.68Å; A180-N183 WeakPolarHBondContact O-CB 3.39Å; A180-N183 PolarHBondContact O-N 2.83Å; A180-L184 WeakPolarHBondContact O-CB 3.49Å; A180-L184 PolarHBondContact O-N 2.91Å
181	D	98.6	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.1	-45.1	176.6	-58.1	-70.2	0	0	0	111.4	L172 L177 T178 L179 N183 L184 L185 Y213	L172-D181 WeakPolarHBondContact CB-OD1 3.46Å; L172-D181 WeakPolarHBondContact CD1-OD1 3.47Å; L172-D181 VanDerWaalsContact CG-OD1 3.28Å; L172-D181 WeakPolarHBondContact CG-OD1 3.35Å; L172-D181 PolarHBondContact N-OD1 3.37Å; L177-D181 HydrophobicContact CD2-CB 3.61Å; T178-D181 PolarHBondContact N-OD2 3.24Å; T178-D181 WeakPolarHBondContact O-CB 3.39Å; T178-D181 PolarHBondContact O-N 2.89Å; T178-D181 PolarHBondContact OG1-OD2 3.02Å; L179-D181 VanDerWaalsContact C-N 3.34Å; D181-N183 PolarHBondContact O-N 3.05Å; D181-L184 PolarHBondContact O-N 3.4Å; D181-L184 VanDerWaalsContact O-N 3.16Å; D181-L185 HydrophobicContact CB-CD1 4.03Å; D181-L185 WeakPolarHBondContact O-CB 3.43Å; D181-L185 WeakPolarHBondContact O-CG 3.34Å; D181-L185 PolarHBondContact O-N 3.14Å; D181-Y213 WeakPolarHBondContact CA-OH 3.37Å; D181-Y213 WeakPolarHBondContact OD1-CE2 3.22Å; D181-Y213 VanDerWaalsContact OD1-CZ 3.32Å; D181-Y213 PolarHBondContact OD1-OH 3.32Å
182	C	98.3	Very high	97.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.9	-31.4	174.5	-64.7	0	0	0	0	112.4	R34 M37 V38 L41 T178 L179 P186	R34-C182 WeakPolarHBondContact CA-O 3.29Å; R34-C182 VanDerWaalsContact CB-O 3.27Å; R34-C182 WeakPolarHBondContact CB-O 3.38Å; R34-C182 HydrophobicContact CG-CB 4.17Å; R34-C182 WeakPolarHBondContact CG-O 3.17Å; M37-C182 HydrophobicContact CB-CB 4.22Å; V38-C182 HydrophobicContact CG2-CB 3.93Å; L41-C182 VanDerWaalsContact CD1-SG 3.55Å; T178-C182 PolarHBondContact O-N 3.33Å; T178-C182 PolarHBondContact O-SG 3.27Å; L179-C182 PolarHBondContact O-N 2.94Å; C182-P186 WeakPolarHBondContact O-CD 3.47Å; C182-P186 WeakPolarHBondContact O-CG 3.29Å
183	N	97.7	Very high	97.9	Very high	20 Å²	20	21.3 Å²	21.3	11%	0.107	11%	0.108	C	C	.	.	H	α-helix	trans	-77.6	-41.4	176.4	173.9	52.1	0	0	0	113.3	R34 L179 A180 D181 K187	R34-N183 VanDerWaalsContact NH1-CG 3.35Å; R34-N183 PolarHBondContact NH1-OD1 3.15Å; L179-N183 WeakPolarHBondContact O-CB 3.28Å; L179-N183 PolarHBondContact O-N 2.79Å; A180-N183 WeakPolarHBondContact O-CB 3.39Å; A180-N183 PolarHBondContact O-N 2.83Å; D181-N183 PolarHBondContact O-N 3.05Å; N183-K187 WeakPolarHBondContact O-CD 3.39Å; N183-K187 WeakPolarHBondContact O-CE 3.49Å; N183-K187 WeakPolarHBondContact OD1-CE 3.48Å; N183-K187 PolarHBondContact OD1-NZ 3.08Å
184	L	98.4	Very high	97.9	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-87.6	-42.6	-170.6	-175.4	60.6	0	0	0	113	I115 L144 L172 A180 D181 K187 L188 Y213	I115-L184 HydrophobicContact CG2-CD1 3.9Å; L144-L184 HydrophobicContact CD1-CD2 3.78Å; L144-L184 HydrophobicContact CD2-CD2 3.99Å; L172-L184 HydrophobicContact CD1-CB 4.22Å; L172-L184 HydrophobicContact CD1-CD2 3.89Å; L172-L184 HydrophobicContact CD2-CD2 4.08Å; L172-L184 HydrophobicContact CG-CD2 4.46Å; A180-L184 WeakPolarHBondContact O-CB 3.49Å; A180-L184 PolarHBondContact O-N 2.91Å; D181-L184 PolarHBondContact O-N 3.4Å; D181-L184 VanDerWaalsContact O-N 3.16Å; L184-K187 WeakPolarHBondContact O-CB 3.15Å; L184-K187 PolarHBondContact O-N 2.89Å; L184-K187 VanDerWaalsContact O-N 3.11Å; L184-L188 HydrophobicContact CD1-CD1 4.36Å; L184-L188 HydrophobicContact CD1-CD2 4.4Å; L184-L188 HydrophobicContact CD1-CG 4.07Å; L184-L188 HydrophobicContact CD2-CD1 4.12Å; L184-L188 HydrophobicContact CG-CD1 3.79Å; L184-L188 HydrophobicContact CG-CG 3.96Å; L184-L188 PolarHBondContact O-N 2.88Å; L184-Y213 HydrophobicContact CD2-CE1 4.24Å
185	L	98.7	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-46.6	-173.5	-73.3	171.4	0	0	0	113.7	M37 L177 D181 K187 L188 H189 Y213 A217 F223	M37-L185 HydrophobicContact CE-CB 4.48Å; M37-L185 HydrophobicContact CE-CD1 3.9Å; L177-L185 HydrophobicContact CD2-CD1 3.84Å; D181-L185 HydrophobicContact CB-CD1 4.03Å; D181-L185 WeakPolarHBondContact O-CB 3.43Å; D181-L185 WeakPolarHBondContact O-CG 3.34Å; D181-L185 PolarHBondContact O-N 3.14Å; L185-K187 PolarHBondContact O-N 3.04Å; L185-L188 PolarHBondContact O-N 3.21Å; L185-H189 PolarHBondContact O-N 3.39Å; L185-Y213 HydrophobicContact CD2-CD1 4.19Å; L185-Y213 HydrophobicContact CD2-CE1 3.44Å; L185-Y213 VanDerWaalsContact CD2-CE1 3.44Å; L185-Y213 HydrophobicContact CD2-CE2 4.17Å; L185-Y213 VanDerWaalsContact CD2-CZ 3.46Å; L185-Y213 HydrophobicContact CG-CE1 4.14Å; L185-Y213 WeakPolarHBondContact CG-OH 3.44Å; L185-A217 HydrophobicContact CD1-CB 3.83Å; L185-A217 HydrophobicContact CD2-CB 3.44Å; L185-A217 VanDerWaalsContact CD2-CB 3.44Å; L185-A217 HydrophobicContact CG-CB 4.29Å; L185-F223 HydrophobicContact CB-CD2 3.75Å; L185-F223 HydrophobicContact CB-CE2 3.5Å; L185-F223 VanDerWaalsContact CB-CE2 3.5Å; L185-F223 HydrophobicContact CB-CZ 4.02Å; L185-F223 HydrophobicContact CD1-CD2 4.28Å; L185-F223 HydrophobicContact CD1-CG 4.34Å; L185-F223 HydrophobicContact CD2-CZ 4.48Å
186	P	98.4	Very high	97.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-36.6	176.1	-27.5	37.9	0	0	0	113	P30 Q33 M37 C182 V190	P30-P186 HydrophobicContact CB-CB 3.94Å; Q33-P186 HydrophobicContact CB-CB 4.05Å; Q33-P186 HydrophobicContact CB-CG 4.03Å; Q33-P186 HydrophobicContact CG-CB 4.16Å; Q33-P186 HydrophobicContact CG-CG 3.84Å; M37-P186 HydrophobicContact SD-CG 3.89Å; C182-P186 WeakPolarHBondContact O-CD 3.47Å; C182-P186 WeakPolarHBondContact O-CG 3.29Å; P186-V190 WeakPolarHBondContact O-CG2 3.18Å; P186-V190 PolarHBondContact O-N 2.75Å
187	K	98.2	Very high	97.7	Very high	27 Å²	27	17.9 Å²	17.9	12%	0.117	8%	0.082	C	C	.	.	H	α-helix	trans	-68.6	-45	177.5	-66	172.1	-174.7	170.4	0	110.9	P30 F116 N183 L184 L185 H189 V190 I191	P30-K187 HydrophobicContact CB-CG 4.23Å; F116-K187 HydrophobicContact CB-CB 4.22Å; F116-K187 HydrophobicContact CB-CD 3.89Å; F116-K187 HydrophobicContact CB-CG 4.2Å; F116-K187 HydrophobicContact CD2-CB 3.58Å; F116-K187 HydrophobicContact CD2-CD 4.49Å; F116-K187 HydrophobicContact CD2-CG 3.87Å; F116-K187 HydrophobicContact CE2-CB 4.18Å; F116-K187 HydrophobicContact CE2-CG 4.36Å; F116-K187 HydrophobicContact CG-CB 4.07Å; F116-K187 HydrophobicContact CG-CD 4.15Å; F116-K187 HydrophobicContact CG-CG 3.97Å; N183-K187 WeakPolarHBondContact O-CD 3.39Å; N183-K187 WeakPolarHBondContact O-CE 3.49Å; N183-K187 WeakPolarHBondContact OD1-CE 3.48Å; N183-K187 PolarHBondContact OD1-NZ 3.08Å; L184-K187 WeakPolarHBondContact O-CB 3.15Å; L184-K187 PolarHBondContact O-N 2.89Å; L184-K187 VanDerWaalsContact O-N 3.11Å; L185-K187 PolarHBondContact O-N 3.04Å; K187-H189 VanDerWaalsContact C-N 3.32Å; K187-H189 PolarHBondContact O-N 3.25Å; K187-V190 PolarHBondContact O-N 3.27Å; K187-I191 WeakPolarHBondContact O-CG1 3.17Å; K187-I191 PolarHBondContact O-N 2.83Å
188	L	98.4	Very high	97.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.6	-38.5	176.8	-70.2	179	0	0	0	112.2	I115 F141 L144 L184 L185 I191 K192 Y213 L214	I115-L188 HydrophobicContact CD1-CD2 3.89Å; F141-L188 HydrophobicContact CE1-CD2 3.92Å; F141-L188 HydrophobicContact CZ-CD2 4.44Å; L144-L188 HydrophobicContact CD2-CD1 4.18Å; L144-L188 HydrophobicContact CD2-CD2 4.33Å; L184-L188 HydrophobicContact CD1-CD1 4.36Å; L184-L188 HydrophobicContact CD1-CD2 4.4Å; L184-L188 HydrophobicContact CD1-CG 4.07Å; L184-L188 HydrophobicContact CD2-CD1 4.12Å; L184-L188 HydrophobicContact CG-CD1 3.79Å; L184-L188 HydrophobicContact CG-CG 3.96Å; L184-L188 PolarHBondContact O-N 2.88Å; L185-L188 PolarHBondContact O-N 3.21Å; L188-I191 HydrophobicContact CD2-CD1 4.35Å; L188-I191 PolarHBondContact O-N 3.29Å; L188-K192 WeakPolarHBondContact O-CB 3.24Å; L188-K192 PolarHBondContact O-N 2.85Å; L188-Y213 HydrophobicContact CD1-CD1 4.1Å; L188-Y213 HydrophobicContact CD1-CE1 3.8Å; L188-L214 HydrophobicContact CB-CD2 4.11Å; L188-L214 HydrophobicContact CD1-CD2 4.09Å
189	H	98.4	Very high	97	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-50.2	175.2	-172.3	53.8	0	0	0	111.4	L185 K187 I191 K192 I193 Y218 F223 I233	L185-H189 PolarHBondContact O-N 3.39Å; K187-H189 VanDerWaalsContact C-N 3.32Å; K187-H189 PolarHBondContact O-N 3.25Å; H189-I191 VanDerWaalsContact C-N 3.32Å; H189-I191 PolarHBondContact O-N 3.49Å; H189-K192 PolarHBondContact O-N 3.01Å; H189-I193 WeakPolarHBondContact O-CG1 3.39Å; H189-I193 PolarHBondContact O-N 3.07Å; H189-I193 VanDerWaalsContact O-N 3.08Å; H189-Y218 AromaticContact ND1-CE1 3.69Å; H189-Y218 AromaticContact ND1-CZ 3.68Å; H189-Y218 PolarHBondContact ND1-OH 2.82Å; H189-F223 HydrophobicContact CB-CE2 4.37Å; H189-F223 HydrophobicContact CB-CZ 3.94Å; H189-I233 VanDerWaalsContact CD2-CD1 3.5Å; H189-I233 WeakPolarHBondContact CD2-CD1 3.43Å
190	V	97.9	Very high	96.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-43.7	176.3	168.8	0	0	0	0	111.8	N28 P30 F116 F119 P186 K187 I193 A194 I233 Y237	N28-V190 WeakPolarHBondContact OD1-CG2 3.33Å; P30-V190 HydrophobicContact CG-CG2 3.88Å; F116-V190 HydrophobicContact CE2-CB 4.11Å; F116-V190 HydrophobicContact CE2-CG1 3.87Å; F116-V190 HydrophobicContact CZ-CG1 4.22Å; F119-V190 HydrophobicContact CE1-CG1 4.15Å; P186-V190 WeakPolarHBondContact O-CG2 3.18Å; P186-V190 PolarHBondContact O-N 2.75Å; K187-V190 PolarHBondContact O-N 3.27Å; V190-I193 PolarHBondContact O-N 3.06Å; V190-A194 VanDerWaalsContact O-CB 3.32Å; V190-A194 WeakPolarHBondContact O-CB 3.18Å; V190-A194 PolarHBondContact O-N 3.46Å; V190-I233 HydrophobicContact CB-CG2 4.41Å; V190-I233 HydrophobicContact CG1-CG2 4.09Å; V190-I233 HydrophobicContact CG2-CD1 4.19Å; V190-I233 HydrophobicContact CG2-CG1 4.39Å; V190-I233 HydrophobicContact CG2-CG2 4.26Å; V190-Y237 HydrophobicContact CG1-CD2 4.43Å; V190-Y237 HydrophobicContact CG1-CE2 3.42Å; V190-Y237 VanDerWaalsContact CG1-CE2 3.42Å; V190-Y237 WeakPolarHBondContact CG1-OH 3.48Å
191	I	97.7	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.9	-51.2	176.3	-66.2	164.4	0	0	0	110.2	I115 F116 F119 F141 K187 L188 H189 I193 A195	I115-I191 HydrophobicContact CG1-CD1 4.21Å; I115-I191 HydrophobicContact CG2-CD1 4.1Å; F116-I191 HydrophobicContact CD2-CD1 4.17Å; F116-I191 HydrophobicContact CD2-CG1 4.13Å; F119-I191 HydrophobicContact CB-CD1 4.01Å; F119-I191 HydrophobicContact CB-CG1 3.75Å; F119-I191 HydrophobicContact CD1-CG1 3.63Å; F119-I191 HydrophobicContact CD2-CB 4.28Å; F119-I191 HydrophobicContact CD2-CG1 3.95Å; F119-I191 HydrophobicContact CD2-CG2 3.92Å; F119-I191 HydrophobicContact CE1-CG1 4.18Å; F119-I191 HydrophobicContact CE2-CG1 4.48Å; F119-I191 HydrophobicContact CE2-CG2 4.36Å; F119-I191 HydrophobicContact CG-CB 4.32Å; F119-I191 HydrophobicContact CG-CD1 4.31Å; F119-I191 HydrophobicContact CG-CG1 3.5Å; F119-I191 VanDerWaalsContact CG-CG1 3.5Å; F119-I191 HydrophobicContact CG-CG2 4.29Å; F141-I191 HydrophobicContact CE2-CG2 4.26Å; F141-I191 HydrophobicContact CZ-CG2 3.91Å; K187-I191 WeakPolarHBondContact O-CG1 3.17Å; K187-I191 PolarHBondContact O-N 2.83Å; L188-I191 HydrophobicContact CD2-CD1 4.35Å; L188-I191 PolarHBondContact O-N 3.29Å; H189-I191 VanDerWaalsContact C-N 3.32Å; H189-I191 PolarHBondContact O-N 3.49Å; I191-I193 PolarHBondContact O-N 3.12Å; I191-A195 HydrophobicContact CG2-CB 4.46Å; I191-A195 WeakPolarHBondContact O-CB 3.48Å; I191-A195 PolarHBondContact O-N 3.3Å
192	K	97.9	Very high	96.4	Very high	67 Å²	67	30.9 Å²	30.9	29%	0.291	15%	0.149	S	C	.	.	H	α-helix	trans	-56.2	-47.3	-178.4	-179.4	-178.4	173.7	177.9	0	111.9	L188 H189 K196	L188-K192 WeakPolarHBondContact O-CB 3.24Å; L188-K192 PolarHBondContact O-N 2.85Å; H189-K192 PolarHBondContact O-N 3.01Å; K192-K196 VanDerWaalsContact O-CB 3.26Å; K192-K196 WeakPolarHBondContact O-CB 3.43Å; K192-K196 PolarHBondContact O-N 3.38Å
193	I	97.8	Very high	96.4	Very high	22 Å²	22	31.3 Å²	31.3	11%	0.113	15%	0.151	C	C	.	.	H	α-helix	trans	-74.3	-52.5	-176	-58.2	-52	0	0	0	111.5	H189 V190 I191 K197 N230 I233 E234	H189-I193 WeakPolarHBondContact O-CG1 3.39Å; H189-I193 PolarHBondContact O-N 3.07Å; H189-I193 VanDerWaalsContact O-N 3.08Å; V190-I193 PolarHBondContact O-N 3.06Å; I191-I193 PolarHBondContact O-N 3.12Å; I193-K197 WeakPolarHBondContact O-CB 3.41Å; I193-K197 PolarHBondContact O-N 3.49Å; I193-K197 VanDerWaalsContact O-N 3.08Å; I193-N230 WeakPolarHBondContact CD1-OD1 3.4Å; I193-N230 HydrophobicContact CG2-CB 4.01Å; I193-I233 HydrophobicContact CB-CB 4.49Å; I193-I233 HydrophobicContact CB-CD1 4.17Å; I193-I233 HydrophobicContact CB-CG2 4.2Å; I193-I233 HydrophobicContact CG1-CD1 4.04Å; I193-I233 HydrophobicContact CG2-CB 4.13Å; I193-I233 HydrophobicContact CG2-CD1 4.44Å; I193-I233 HydrophobicContact CG2-CG2 4.19Å; I193-E234 HydrophobicContact CG2-CG 4.07Å
194	A	96.4	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-74.6	-36.1	-173.1	0	0	0	0	0	112.9	F119 I123 V190 K197 Y198 I233 Y237	F119-A194 HydrophobicContact CZ-CB 3.87Å; I123-A194 HydrophobicContact CD1-CB 3.7Å; V190-A194 VanDerWaalsContact O-CB 3.32Å; V190-A194 WeakPolarHBondContact O-CB 3.18Å; V190-A194 PolarHBondContact O-N 3.46Å; A194-K197 PolarHBondContact O-N 3.43Å; A194-Y198 HydrophobicContact CB-CD2 4.47Å; A194-Y198 WeakPolarHBondContact O-CD2 3.43Å; A194-Y198 PolarHBondContact O-N 2.71Å; A194-I233 HydrophobicContact CB-CG2 4.11Å; A194-Y237 HydrophobicContact CB-CD1 4.47Å; A194-Y237 HydrophobicContact CB-CD2 4.03Å; A194-Y237 HydrophobicContact CB-CE2 4.49Å; A194-Y237 HydrophobicContact CB-CG 4.01Å
195	A	94.9	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.2	-40.6	176.1	0	0	0	0	0	111.5	F119 F122 I191 C199 D200 F201	F119-A195 HydrophobicContact CD2-CB 4.41Å; F119-A195 HydrophobicContact CE2-CB 3.84Å; F122-A195 HydrophobicContact CE1-CB 4.43Å; I191-A195 HydrophobicContact CG2-CB 4.46Å; I191-A195 WeakPolarHBondContact O-CB 3.48Å; I191-A195 PolarHBondContact O-N 3.3Å; A195-C199 CarbonylContact O-C 3.22Å; A195-C199 WeakPolarHBondContact O-CA 3.45Å; A195-C199 WeakPolarHBondContact O-CB 3.42Å; A195-C199 PolarHBondContact O-N 3.37Å; A195-D200 PolarHBondContact O-N 3.31Å; A195-F201 CarbonylContact C-O 3.59Å; A195-F201 HydrophobicContact CB-CB 4.11Å; A195-F201 HydrophobicContact CB-CD1 3.7Å; A195-F201 HydrophobicContact CB-CG 4.33Å; A195-F201 PolarHBondContact O-N 3.43Å
196	K	95.3	Very high	96.3	Very high	86 Å²	86	41.5 Å²	41.5	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-62.8	-47.5	175.7	-177.9	52.3	170.8	176.8	0	111.3	K192 Y198 D200 F201 D202	K192-K196 VanDerWaalsContact O-CB 3.26Å; K192-K196 WeakPolarHBondContact O-CB 3.43Å; K192-K196 PolarHBondContact O-N 3.38Å; K196-Y198 PolarHBondContact O-N 3.2Å; K196-D200 IonicContact NZ-OD1 2.65Å; K196-D200 PolarHBondContact NZ-OD1 3.26Å; K196-D200 WeakPolarHBondContact O-CA 3.32Å; K196-D200 PolarHBondContact O-N 3.07Å; K196-F201 WeakPolarHBondContact CA-O 3.35Å; K196-F201 PolarHBondContact N-O 2.75Å; K196-D202 WeakPolarHBondContact CD-OD1 3.44Å; K196-D202 WeakPolarHBondContact CD-OD2 3.49Å; K196-D202 VanDerWaalsContact CE-OD2 3.29Å; K196-D202 WeakPolarHBondContact CE-OD2 3.29Å; K196-D202 IonicContact NZ-OD1 3.57Å; K196-D202 IonicContact NZ-OD2 2.69Å; K196-D202 PolarHBondContact NZ-OD2 2.99Å
197	K	95.2	Very high	96.3	Very high	112 Å²	112	42.3 Å²	42.3	49%	0.487	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-43.6	-177.7	-177	65.3	174.4	-139.7	0	113.7	I193 A194 E234	I193-K197 WeakPolarHBondContact O-CB 3.41Å; I193-K197 PolarHBondContact O-N 3.49Å; I193-K197 VanDerWaalsContact O-N 3.08Å; A194-K197 PolarHBondContact O-N 3.43Å; K197-E234 HydrophobicContact CB-CG 4.25Å; K197-E234 HydrophobicContact CD-CG 4.36Å; K197-E234 VanDerWaalsContact CE-OE2 3.28Å; K197-E234 WeakPolarHBondContact CE-OE2 3.14Å; K197-E234 HydrophobicContact CG-CG 3.97Å; K197-E234 IonicContact NZ-OE2 3.89Å; K197-E234 PolarHBondContact NZ-OE2 2.92Å
198	Y	92.8	Very high	96.3	Very high	46 Å²	46	45 Å²	45	18%	0.18	24%	0.237	C	C	.	.	H	α-helix	trans	-113.9	-9.1	-164.9	-64	-65.6	0	0	0	115.3	I123 A194 K196 E234 L238 T241 R244	I123-Y198 HydrophobicContact CD1-CD2 4.42Å; A194-Y198 HydrophobicContact CB-CD2 4.47Å; A194-Y198 WeakPolarHBondContact O-CD2 3.43Å; A194-Y198 PolarHBondContact O-N 2.71Å; K196-Y198 PolarHBondContact O-N 3.2Å; Y198-E234 WeakPolarHBondContact CE2-O 3.4Å; Y198-E234 VanDerWaalsContact OH-C 3.29Å; Y198-E234 PolarHBondContact OH-O 3.31Å; Y198-L238 HydrophobicContact CE1-CD1 4.17Å; Y198-T241 HydrophobicContact CD1-CG2 3.99Å; Y198-T241 HydrophobicContact CD2-CG2 4.04Å; Y198-T241 HydrophobicContact CG-CG2 3.67Å; Y198-R244 PolarHBondContact O-NH1 3.05Å
199	C	90.9	Very high	96.3	Very high	33 Å²	33	45 Å²	45	22%	0.223	24%	0.237	C	C	.	.	H	α-helix	trans	-129.7	0.2	179	-56.3	0	0	0	0	113	F122 A195 F201 R244	F122-C199 HydrophobicContact CE1-CB 3.63Å; F122-C199 HydrophobicContact CZ-CB 3.57Å; A195-C199 CarbonylContact O-C 3.22Å; A195-C199 WeakPolarHBondContact O-CA 3.45Å; A195-C199 WeakPolarHBondContact O-CB 3.42Å; A195-C199 PolarHBondContact O-N 3.37Å; C199-F201 HydrophobicContact CB-CB 4.13Å; C199-F201 PolarHBondContact O-N 2.83Å; C199-F201 VanDerWaalsContact O-N 3.11Å; C199-R244 PolarHBondContact SG-NH2 3.28Å
200	D	92	Very high	96.3	Very high	124 Å²	124	44.6 Å²	44.6	66%	0.663	24%	0.235	S	C	*	.			trans	46.8	35.5	-168.5	-163.5	30.7	0	0	0	113.1	A195 K196	A195-D200 PolarHBondContact O-N 3.31Å; K196-D200 IonicContact NZ-OD1 2.65Å; K196-D200 PolarHBondContact NZ-OD1 3.26Å; K196-D200 WeakPolarHBondContact O-CA 3.32Å; K196-D200 PolarHBondContact O-N 3.07Å
201	F	94.1	Very high	96.4	Very high	14 Å²	14	47.6 Å²	47.6	6%	0.061	25%	0.246	C	C	.	.			trans	-99.1	125.4	-179.9	172.7	-87	0	0	0	109.9	F122 E134 L137 L138 F141 A195 K196 C199	F122-F201 HydrophobicContact CE1-CB 3.91Å; F122-F201 HydrophobicContact CE1-CD2 4.43Å; F122-F201 HydrophobicContact CE1-CG 4.04Å; F122-F201 HydrophobicContact CZ-CB 3.95Å; F122-F201 HydrophobicContact CZ-CD2 4.25Å; F122-F201 HydrophobicContact CZ-CG 4.19Å; E134-F201 HydrophobicContact CG-CD2 4.01Å; E134-F201 HydrophobicContact CG-CE2 4Å; L137-F201 HydrophobicContact CD2-CE1 4.05Å; L137-F201 HydrophobicContact CD2-CZ 4.08Å; L137-F201 HydrophobicContact CG-CZ 4.48Å; L138-F201 HydrophobicContact CD2-CE2 3.89Å; L138-F201 HydrophobicContact CD2-CZ 4Å; L138-F201 HydrophobicContact CG-CE2 4.26Å; F141-F201 HydrophobicContact CD2-CZ 4.34Å; F141-F201 HydrophobicContact CE2-CE1 4Å; F141-F201 HydrophobicContact CE2-CZ 4.11Å; A195-F201 CarbonylContact C-O 3.59Å; A195-F201 HydrophobicContact CB-CB 4.11Å; A195-F201 HydrophobicContact CB-CD1 3.7Å; A195-F201 HydrophobicContact CB-CG 4.33Å; A195-F201 PolarHBondContact O-N 3.43Å; K196-F201 WeakPolarHBondContact CA-O 3.35Å; K196-F201 PolarHBondContact N-O 2.75Å; C199-F201 HydrophobicContact CB-CB 4.13Å; C199-F201 PolarHBondContact O-N 2.83Å; C199-F201 VanDerWaalsContact O-N 3.11Å
202	D	96.1	Very high	96.4	Very high	85 Å²	85	50.7 Å²	50.7	46%	0.455	26%	0.258	S	S	.	.			trans	-109.4	149.6	168.2	-73.5	-69.2	0	0	0	110.4	K196 P204	K196-D202 WeakPolarHBondContact CD-OD1 3.44Å; K196-D202 WeakPolarHBondContact CD-OD2 3.49Å; K196-D202 VanDerWaalsContact CE-OD2 3.29Å; K196-D202 WeakPolarHBondContact CE-OD2 3.29Å; K196-D202 IonicContact NZ-OD1 3.57Å; K196-D202 IonicContact NZ-OD2 2.69Å; K196-D202 PolarHBondContact NZ-OD2 2.99Å; D202-P204 VanDerWaalsContact O-CD 3.24Å; D202-P204 WeakPolarHBondContact O-CD 3.23Å
203	I	97.6	Very high	96.4	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.046	24%	0.244	C	C	.	.			trans	-63.3	120.7	170.1	-57.8	174.2	0	0	0	107.4	F141 A205 F207 V210 W211 L214	F141-I203 HydrophobicContact CD1-CG2 4.15Å; F141-I203 HydrophobicContact CE1-CD1 3.69Å; F141-I203 HydrophobicContact CE1-CG1 3.89Å; F141-I203 HydrophobicContact CE1-CG2 4.15Å; F141-I203 HydrophobicContact CE2-CG1 4.34Å; F141-I203 HydrophobicContact CZ-CD1 3.83Å; F141-I203 HydrophobicContact CZ-CG1 3.71Å; I203-A205 PolarHBondContact O-N 3.11Å; I203-F207 HydrophobicContact CG2-CD2 4.15Å; I203-V210 HydrophobicContact CG2-CG1 4.16Å; I203-W211 HydrophobicContact CB-CZ2 3.92Å; I203-W211 VanDerWaalsContact O-CZ2 3.27Å; I203-W211 WeakPolarHBondContact O-CZ2 3.34Å; I203-W211 PolarHBondContact O-NE1 3.36Å; I203-L214 HydrophobicContact CD1-CD1 3.73Å
204	P	98	Very high	96.5	Very high	25 Å²	25	46.5 Å²	46.5	16%	0.162	24%	0.239	C	C	.	.			trans	-58.5	139.4	-175	-25.9	32.7	0	0	0	113.4	L138 D202 Q206 F207 W211	L138-P204 HydrophobicContact CD2-CG 3.49Å; L138-P204 VanDerWaalsContact CD2-CG 3.49Å; D202-P204 VanDerWaalsContact O-CD 3.24Å; D202-P204 WeakPolarHBondContact O-CD 3.23Å; P204-Q206 HydrophobicContact CB-CG 4.33Å; P204-Q206 PolarHBondContact O-N 2.79Å; P204-Q206 VanDerWaalsContact O-N 3.17Å; P204-F207 HydrophobicContact CB-CD2 4.06Å; P204-F207 HydrophobicContact CB-CE2 4.09Å; P204-F207 HydrophobicContact CG-CD2 4.07Å; P204-F207 HydrophobicContact CG-CE2 3.74Å; P204-F207 PolarHBondContact O-N 2.87Å; P204-F207 VanDerWaalsContact O-N 3.11Å; P204-W211 PolarHBondContact O-NE1 2.82Å
205	A	97.6	Very high	96.6	Very high	82 Å²	82	50.5 Å²	50.5	68%	0.678	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.6	-176.4	0	0	0	0	0	113.4	I203 F207	I203-A205 PolarHBondContact O-N 3.11Å; A205-F207 PolarHBondContact O-N 2.74Å
206	Q	97.5	Very high	96.7	Very high	131 Å²	131	52 Å²	52	61%	0.612	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-15.6	176.5	69.6	-91.2	19.7	0	0	114.1	P204 T208	P204-Q206 HydrophobicContact CB-CG 4.33Å; P204-Q206 PolarHBondContact O-N 2.79Å; P204-Q206 VanDerWaalsContact O-N 3.17Å; Q206-T208 PolarHBondContact O-N 3.15Å
207	F	98.4	Very high	96.9	Very high	16 Å²	16	47.9 Å²	47.9	7%	0.07	25%	0.25	C	S	.	.			trans	-82.5	68.9	174.6	-60.7	-41.5	0	0	0	110.6	L138 F141 K142 D145 I203 P204 A205 G209 V210 W211	L138-F207 HydrophobicContact CD2-CE2 3.97Å; L138-F207 HydrophobicContact CD2-CZ 4.46Å; F141-F207 HydrophobicContact CB-CD2 3.83Å; F141-F207 HydrophobicContact CB-CE2 3.56Å; F141-F207 HydrophobicContact CB-CZ 4.17Å; F141-F207 HydrophobicContact CG-CE2 4.46Å; K142-F207 HydrophobicContact CB-CE1 3.79Å; K142-F207 HydrophobicContact CB-CZ 4.05Å; K142-F207 HydrophobicContact CG-CE1 4.2Å; D145-F207 HydrophobicContact CB-CB 4.06Å; D145-F207 HydrophobicContact CB-CD1 3.85Å; D145-F207 HydrophobicContact CB-CG 4.22Å; D145-F207 WeakPolarHBondContact OD1-CA 3.28Å; I203-F207 HydrophobicContact CG2-CD2 4.15Å; P204-F207 HydrophobicContact CB-CD2 4.06Å; P204-F207 HydrophobicContact CB-CE2 4.09Å; P204-F207 HydrophobicContact CG-CD2 4.07Å; P204-F207 HydrophobicContact CG-CE2 3.74Å; P204-F207 PolarHBondContact O-N 2.87Å; P204-F207 VanDerWaalsContact O-N 3.11Å; A205-F207 PolarHBondContact O-N 2.74Å; F207-G209 VanDerWaalsContact C-N 3.3Å; F207-G209 PolarHBondContact O-N 3.18Å; F207-V210 HydrophobicContact CB-CB 4.12Å; F207-V210 HydrophobicContact CB-CG2 4.22Å; F207-V210 PolarHBondContact O-N 2.81Å; F207-W211 VanDerWaalsContact O-CD1 3.26Å; F207-W211 PolarHBondContact O-N 3.39Å
208	T	98.1	Very high	97	Very high	83 Å²	83	45.4 Å²	45.4	51%	0.509	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-31.8	-172.5	56	0	0	0	0	113.4	D145 Q206 R212	D145-T208 PolarHBondContact OD1-N 3.36Å; Q206-T208 PolarHBondContact O-N 3.15Å; T208-R212 VanDerWaalsContact O-CB 3.29Å; T208-R212 WeakPolarHBondContact O-CB 3.47Å; T208-R212 PolarHBondContact O-N 3.36Å
209	G	98.3	Very high	97.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-44.5	176.4	0	0	0	0	0	111.1	D145 N149 F207 R212 Y213	D145-G209 VanDerWaalsContact OD1-CA 3.26Å; D145-G209 WeakPolarHBondContact OD1-CA 3.24Å; D145-G209 PolarHBondContact OD1-N 3.49Å; N149-G209 WeakPolarHBondContact OD1-CA 3.37Å; F207-G209 VanDerWaalsContact C-N 3.3Å; F207-G209 PolarHBondContact O-N 3.18Å; G209-R212 PolarHBondContact O-N 2.66Å; G209-Y213 WeakPolarHBondContact O-CB 3.26Å; G209-Y213 PolarHBondContact O-N 3.25Å
210	V	98.6	Very high	97.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-45.1	174.8	176.4	0	0	0	0	111.2	F141 L144 D145 L148 I203 F207 Y213 L214	F141-V210 HydrophobicContact CD1-CG1 4.27Å; F141-V210 HydrophobicContact CE1-CG1 4.38Å; L144-V210 HydrophobicContact CB-CG2 4.37Å; L144-V210 HydrophobicContact CD2-CG2 4.06Å; L144-V210 HydrophobicContact CG-CG2 4.01Å; D145-V210 HydrophobicContact CB-CG2 3.82Å; D145-V210 PolarHBondContact OD1-N 3.42Å; D145-V210 VanDerWaalsContact OD1-N 3.09Å; L148-V210 HydrophobicContact CD1-CG2 4.1Å; I203-V210 HydrophobicContact CG2-CG1 4.16Å; F207-V210 HydrophobicContact CB-CB 4.12Å; F207-V210 HydrophobicContact CB-CG2 4.22Å; F207-V210 PolarHBondContact O-N 2.81Å; V210-Y213 WeakPolarHBondContact O-CB 3.38Å; V210-Y213 PolarHBondContact O-N 3.47Å; V210-L214 HydrophobicContact CG1-CD1 4.04Å; V210-L214 HydrophobicContact CG1-CG 4.4Å; V210-L214 WeakPolarHBondContact O-CG 3.25Å; V210-L214 PolarHBondContact O-N 2.96Å
211	W	98.6	Very high	97.9	Very high	65 Å²	65	52 Å²	52	25%	0.246	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-41.8	177.4	-80	113.4	0	0	0	112.4	I203 P204 F207 Y213 L214 N215	I203-W211 HydrophobicContact CB-CZ2 3.92Å; I203-W211 VanDerWaalsContact O-CZ2 3.27Å; I203-W211 WeakPolarHBondContact O-CZ2 3.34Å; I203-W211 PolarHBondContact O-NE1 3.36Å; P204-W211 PolarHBondContact O-NE1 2.82Å; F207-W211 VanDerWaalsContact O-CD1 3.26Å; F207-W211 PolarHBondContact O-N 3.39Å; W211-Y213 VanDerWaalsContact C-N 3.31Å; W211-Y213 PolarHBondContact O-N 2.86Å; W211-L214 HydrophobicContact CE3-CD1 4.49Å; W211-L214 PolarHBondContact O-N 3.02Å; W211-N215 WeakPolarHBondContact O-CB 3.43Å; W211-N215 PolarHBondContact O-N 3.48Å; W211-N215 PolarHBondContact O-ND2 3.41Å; W211-N215 PolarHBondContact O-OD1 3.35Å
212	R	98.5	Very high	98.1	Very high	64 Å²	64	52.8 Å²	52.8	24%	0.242	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-45.9	172.4	-176.2	178.3	74.3	-114.4	0.4	111.2	L148 N149 S167 R169 T208 G209 N216	L148-R212 PolarHBondContact O-NH2 2.87Å; N149-R212 PolarHBondContact OD1-NH1 3.34Å; S167-R212 PolarHBondContact O-NH2 3.47Å; R169-R212 PolarHBondContact O-NE 3.05Å; T208-R212 VanDerWaalsContact O-CB 3.29Å; T208-R212 WeakPolarHBondContact O-CB 3.47Å; T208-R212 PolarHBondContact O-N 3.36Å; G209-R212 PolarHBondContact O-N 2.66Å; R212-N216 PolarHBondContact O-N 3.27Å; R212-N216 VanDerWaalsContact O-N 3.09Å; R212-N216 PolarHBondContact O-ND2 3.43Å
213	Y	98.7	Very high	98.2	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-49.7	178.6	175.4	-125.5	0	0	0	112.4	L148 F171 L172 D181 L184 L185 L188 G209 V210 W211 N215 N216 A217	L148-Y213 HydrophobicContact CD1-CD1 4.24Å; L148-Y213 HydrophobicContact CD1-CG 4.14Å; L148-Y213 HydrophobicContact CD2-CD2 4.36Å; L148-Y213 HydrophobicContact CD2-CG 4.2Å; F171-Y213 HydrophobicContact CB-CE2 4.12Å; F171-Y213 HydrophobicContact CD1-CD2 4.14Å; F171-Y213 AromaticContact CD1-CE2 3.89Å; F171-Y213 HydrophobicContact CD1-CE2 3.89Å; L172-Y213 HydrophobicContact CG-CE2 4.26Å; D181-Y213 WeakPolarHBondContact CA-OH 3.37Å; D181-Y213 WeakPolarHBondContact OD1-CE2 3.22Å; D181-Y213 VanDerWaalsContact OD1-CZ 3.32Å; D181-Y213 PolarHBondContact OD1-OH 3.32Å; L184-Y213 HydrophobicContact CD2-CE1 4.24Å; L185-Y213 HydrophobicContact CD2-CD1 4.19Å; L185-Y213 HydrophobicContact CD2-CE1 3.44Å; L185-Y213 VanDerWaalsContact CD2-CE1 3.44Å; L185-Y213 HydrophobicContact CD2-CE2 4.17Å; L185-Y213 VanDerWaalsContact CD2-CZ 3.46Å; L185-Y213 HydrophobicContact CG-CE1 4.14Å; L185-Y213 WeakPolarHBondContact CG-OH 3.44Å; L188-Y213 HydrophobicContact CD1-CD1 4.1Å; L188-Y213 HydrophobicContact CD1-CE1 3.8Å; G209-Y213 WeakPolarHBondContact O-CB 3.26Å; G209-Y213 PolarHBondContact O-N 3.25Å; V210-Y213 WeakPolarHBondContact O-CB 3.38Å; V210-Y213 PolarHBondContact O-N 3.47Å; W211-Y213 VanDerWaalsContact C-N 3.31Å; W211-Y213 PolarHBondContact O-N 2.86Å; Y213-N215 PolarHBondContact O-N 3.47Å; Y213-N216 PolarHBondContact O-N 3.3Å; Y213-A217 WeakPolarHBondContact O-CB 3.24Å; Y213-A217 PolarHBondContact O-N 3.37Å
214	L	98.6	Very high	98.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-43.5	179	-72.8	175.3	0	0	0	112	L188 I203 V210 W211 A217 Y218	L188-L214 HydrophobicContact CB-CD2 4.11Å; L188-L214 HydrophobicContact CD1-CD2 4.09Å; I203-L214 HydrophobicContact CD1-CD1 3.73Å; V210-L214 HydrophobicContact CG1-CD1 4.04Å; V210-L214 HydrophobicContact CG1-CG 4.4Å; V210-L214 WeakPolarHBondContact O-CG 3.25Å; V210-L214 PolarHBondContact O-N 2.96Å; W211-L214 HydrophobicContact CE3-CD1 4.49Å; W211-L214 PolarHBondContact O-N 3.02Å; L214-A217 PolarHBondContact O-N 3.04Å; L214-Y218 HydrophobicContact CB-CD2 4.39Å; L214-Y218 HydrophobicContact CB-CE2 4.21Å; L214-Y218 HydrophobicContact CD2-CE2 4.3Å; L214-Y218 WeakPolarHBondContact O-CD2 3.2Å; L214-Y218 PolarHBondContact O-N 3.34Å
215	N	98.5	Very high	98.1	Very high	84 Å²	84	54.5 Å²	54.5	45%	0.449	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-48.4	179.3	-68.2	-12.1	0	0	0	111.2	W211 Y213 A217 Y218 E219	W211-N215 WeakPolarHBondContact O-CB 3.43Å; W211-N215 PolarHBondContact O-N 3.48Å; W211-N215 PolarHBondContact O-ND2 3.41Å; W211-N215 PolarHBondContact O-OD1 3.35Å; Y213-N215 PolarHBondContact O-N 3.47Å; N215-A217 VanDerWaalsContact C-N 3.26Å; N215-A217 PolarHBondContact O-N 2.99Å; N215-Y218 PolarHBondContact O-N 3.28Å; N215-E219 WeakPolarHBondContact O-CG 3.31Å; N215-E219 PolarHBondContact O-N 3.15Å
216	N	98.6	Very high	98.1	Very high	31 Å²	31	50.7 Å²	50.7	17%	0.166	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-37.1	174.5	-77.6	-71.4	0	0	0	112.1	K170 F171 R212 Y213 R220	K170-N216 HydrophobicContact CB-CB 4.26Å; F171-N216 HydrophobicContact CE1-CB 3.93Å; F171-N216 HydrophobicContact CZ-CB 4.29Å; R212-N216 PolarHBondContact O-N 3.27Å; R212-N216 VanDerWaalsContact O-N 3.09Å; R212-N216 PolarHBondContact O-ND2 3.43Å; Y213-N216 PolarHBondContact O-N 3.3Å; N216-R220 WeakPolarHBondContact O-CG 3.5Å
217	A	98.4	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-44.3	178.7	0	0	0	0	0	112.3	L185 Y213 L214 N215 E219 R220 F223	L185-A217 HydrophobicContact CD1-CB 3.83Å; L185-A217 HydrophobicContact CD2-CB 3.44Å; L185-A217 VanDerWaalsContact CD2-CB 3.44Å; L185-A217 HydrophobicContact CG-CB 4.29Å; Y213-A217 WeakPolarHBondContact O-CB 3.24Å; Y213-A217 PolarHBondContact O-N 3.37Å; L214-A217 PolarHBondContact O-N 3.04Å; N215-A217 VanDerWaalsContact C-N 3.26Å; N215-A217 PolarHBondContact O-N 2.99Å; A217-E219 PolarHBondContact O-N 3.31Å; A217-R220 WeakPolarHBondContact O-CB 3.39Å; A217-R220 PolarHBondContact O-N 2.95Å; A217-F223 HydrophobicContact CB-CD1 3.84Å; A217-F223 HydrophobicContact CB-CE1 4.14Å; A217-F223 HydrophobicContact CB-CG 4.44Å; A217-F223 WeakPolarHBondContact O-CD1 3.22Å
218	Y	98.1	Very high	98	Very high	61 Å²	61	45.2 Å²	45.2	24%	0.239	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-23.1	179.2	-75.7	-67.8	0	0	0	113.3	H189 L214 N215 R220 F223	H189-Y218 AromaticContact ND1-CE1 3.69Å; H189-Y218 AromaticContact ND1-CZ 3.68Å; H189-Y218 PolarHBondContact ND1-OH 2.82Å; L214-Y218 HydrophobicContact CB-CD2 4.39Å; L214-Y218 HydrophobicContact CB-CE2 4.21Å; L214-Y218 HydrophobicContact CD2-CE2 4.3Å; L214-Y218 WeakPolarHBondContact O-CD2 3.2Å; L214-Y218 PolarHBondContact O-N 3.34Å; N215-Y218 PolarHBondContact O-N 3.28Å; Y218-R220 PolarHBondContact O-N 3.12Å; Y218-F223 HydrophobicContact CD1-CD1 4.06Å; Y218-F223 AromaticContact CD1-CE1 3.61Å; Y218-F223 HydrophobicContact CD1-CE1 3.61Å; Y218-F223 HydrophobicContact CD2-CE1 4.41Å; Y218-F223 HydrophobicContact CE1-CD1 4.33Å; Y218-F223 AromaticContact CE1-CE1 3.47Å; Y218-F223 HydrophobicContact CE1-CE1 3.47Å; Y218-F223 VanDerWaalsContact CE1-CE1 3.47Å; Y218-F223 HydrophobicContact CE1-CZ 4.14Å; Y218-F223 HydrophobicContact CE2-CE1 4.26Å; Y218-F223 HydrophobicContact CG-CD1 4.46Å; Y218-F223 HydrophobicContact CG-CE1 4.08Å; Y218-F223 AromaticContact CZ-CE1 3.8Å
219	E	98.1	Very high	97.9	Very high	153 Å²	153	44 Å²	44	72%	0.715	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-12.1	171.5	-71.2	174.8	-170.5	0	0	113.3	N215 A217	N215-E219 WeakPolarHBondContact O-CG 3.31Å; N215-E219 PolarHBondContact O-N 3.15Å; A217-E219 PolarHBondContact O-N 3.31Å
220	R	98.1	Very high	97.8	Very high	72 Å²	72	47.9 Å²	47.9	27%	0.272	24%	0.238	S	C	.	.			trans	-96.2	125.4	-179.5	-68.3	-64.2	-66.6	-97	4.4	111.6	F171 L177 N216 A217 Y218 E222 F223 S224	F171-R220 HydrophobicContact CE1-CG 4.42Å; F171-R220 HydrophobicContact CZ-CG 3.82Å; L177-R220 HydrophobicContact CD1-CB 4.37Å; L177-R220 HydrophobicContact CD1-CG 4.46Å; N216-R220 WeakPolarHBondContact O-CG 3.5Å; A217-R220 WeakPolarHBondContact O-CB 3.39Å; A217-R220 PolarHBondContact O-N 2.95Å; Y218-R220 PolarHBondContact O-N 3.12Å; R220-E222 WeakPolarHBondContact CB-OE2 3.47Å; R220-E222 IonicContact CZ-OE1 3.97Å; R220-E222 IonicContact CZ-OE2 2.68Å; R220-E222 IonicContact NE-OE1 2.99Å; R220-E222 IonicContact NE-OE2 3.17Å; R220-E222 PolarHBondContact NE-OE2 3.13Å; R220-E222 IonicContact NH2-OE1 3.97Å; R220-E222 PolarHBondContact NH2-OE1 3.38Å; R220-E222 IonicContact NH2-OE2 2.89Å; R220-E222 PolarHBondContact NH2-OE2 2.96Å; R220-E222 PolarHBondContact O-N 2.89Å; R220-F223 PolarHBondContact O-N 3.28Å; R220-F223 VanDerWaalsContact O-N 3.12Å; R220-S224 PolarHBondContact O-N 3.26Å; R220-S224 PolarHBondContact O-OG 2.92Å; R220-S224 VanDerWaalsContact O-OG 3.11Å
221	E	97.9	Very high	97.7	Very high	115 Å²	115	51.7 Å²	51.7	54%	0.537	26%	0.258	S	S	.	.	H	α-helix	trans	-58.9	-36.3	179.2	-64.9	-172	163.6	0	0	112.1	F223 S224 Q225	E221-F223 PolarHBondContact O-N 3.18Å; E221-F223 VanDerWaalsContact O-N 3.12Å; E221-S224 WeakPolarHBondContact CA-OG 3.43Å; E221-S224 PolarHBondContact O-N 2.7Å; E221-Q225 HydrophobicContact CB-CG 4.23Å; E221-Q225 VanDerWaalsContact CD-NE2 3.34Å; E221-Q225 VanDerWaalsContact O-CB 3.31Å; E221-Q225 WeakPolarHBondContact O-CB 3.39Å; E221-Q225 PolarHBondContact O-N 2.59Å
222	E	97.9	Very high	97.5	Very high	31 Å²	31	49.1 Å²	49.1	15%	0.145	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-30	-179.4	-56	97.6	144.1	0	0	111.9	M37 W40 L41 L177 R220 T226	M37-E222 WeakPolarHBondContact CG-O 3.46Å; W40-E222 VanDerWaalsContact CD1-CG 3.43Å; W40-E222 HydrophobicContact CG-CB 4.3Å; W40-E222 HydrophobicContact CG-CG 3.96Å; L41-E222 HydrophobicContact CD2-CB 4.21Å; L41-E222 HydrophobicContact CD2-CG 3.83Å; L41-E222 HydrophobicContact CG-CB 4.47Å; L41-E222 HydrophobicContact CG-CG 4.39Å; L177-E222 HydrophobicContact CD1-CB 4.31Å; R220-E222 WeakPolarHBondContact CB-OE2 3.47Å; R220-E222 IonicContact CZ-OE1 3.97Å; R220-E222 IonicContact CZ-OE2 2.68Å; R220-E222 IonicContact NE-OE1 2.99Å; R220-E222 IonicContact NE-OE2 3.17Å; R220-E222 PolarHBondContact NE-OE2 3.13Å; R220-E222 IonicContact NH2-OE1 3.97Å; R220-E222 PolarHBondContact NH2-OE1 3.38Å; R220-E222 IonicContact NH2-OE2 2.89Å; R220-E222 PolarHBondContact NH2-OE2 2.96Å; R220-E222 PolarHBondContact O-N 2.89Å; E222-T226 WeakPolarHBondContact O-CG2 3.48Å; E222-T226 PolarHBondContact O-OG1 3.11Å
223	F	98.5	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-94.9	-50.4	174.4	177.6	-119.7	0	0	0	112.2	Q33 M37 L185 H189 A217 Y218 R220 E221 Q225 T226 C227	Q33-F223 PolarHBondContact NE2-O 3.12Å; M37-F223 HydrophobicContact CE-CB 3.95Å; M37-F223 HydrophobicContact CE-CD2 3.97Å; M37-F223 HydrophobicContact CE-CG 4.4Å; M37-F223 HydrophobicContact SD-CD2 3.91Å; L185-F223 HydrophobicContact CB-CD2 3.75Å; L185-F223 HydrophobicContact CB-CE2 3.5Å; L185-F223 VanDerWaalsContact CB-CE2 3.5Å; L185-F223 HydrophobicContact CB-CZ 4.02Å; L185-F223 HydrophobicContact CD1-CD2 4.28Å; L185-F223 HydrophobicContact CD1-CG 4.34Å; L185-F223 HydrophobicContact CD2-CZ 4.48Å; H189-F223 HydrophobicContact CB-CE2 4.37Å; H189-F223 HydrophobicContact CB-CZ 3.94Å; A217-F223 HydrophobicContact CB-CD1 3.84Å; A217-F223 HydrophobicContact CB-CE1 4.14Å; A217-F223 HydrophobicContact CB-CG 4.44Å; A217-F223 WeakPolarHBondContact O-CD1 3.22Å; Y218-F223 HydrophobicContact CD1-CD1 4.06Å; Y218-F223 AromaticContact CD1-CE1 3.61Å; Y218-F223 HydrophobicContact CD1-CE1 3.61Å; Y218-F223 HydrophobicContact CD2-CE1 4.41Å; Y218-F223 HydrophobicContact CE1-CD1 4.33Å; Y218-F223 AromaticContact CE1-CE1 3.47Å; Y218-F223 HydrophobicContact CE1-CE1 3.47Å; Y218-F223 VanDerWaalsContact CE1-CE1 3.47Å; Y218-F223 HydrophobicContact CE1-CZ 4.14Å; Y218-F223 HydrophobicContact CE2-CE1 4.26Å; Y218-F223 HydrophobicContact CG-CD1 4.46Å; Y218-F223 HydrophobicContact CG-CE1 4.08Å; Y218-F223 AromaticContact CZ-CE1 3.8Å; R220-F223 PolarHBondContact O-N 3.28Å; R220-F223 VanDerWaalsContact O-N 3.12Å; E221-F223 PolarHBondContact O-N 3.18Å; E221-F223 VanDerWaalsContact O-N 3.12Å; F223-Q225 PolarHBondContact O-N 3.25Å; F223-T226 PolarHBondContact O-N 2.71Å; F223-T226 PolarHBondContact O-OG1 3.48Å; F223-C227 PolarHBondContact O-N 2.87Å; F223-C227 VanDerWaalsContact O-N 3.13Å; F223-C227 PolarHBondContact O-SG 3.05Å
224	S	97.3	Very high	97.3	Very high	49 Å²	49	47.8 Å²	47.8	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-66.3	-36.5	-171.9	64.7	0	0	0	0	113.2	R220 E221	R220-S224 PolarHBondContact O-N 3.26Å; R220-S224 PolarHBondContact O-OG 2.92Å; R220-S224 VanDerWaalsContact O-OG 3.11Å; E221-S224 WeakPolarHBondContact CA-OG 3.43Å; E221-S224 PolarHBondContact O-N 2.7Å
225	Q	96.5	Very high	97	Very high	107 Å²	107	51.7 Å²	51.7	50%	0.5	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.1	178.4	-58.5	-168.4	23.1	0	0	113.2	W40 E221 F223	W40-Q225 HydrophobicContact CH2-CB 3.92Å; W40-Q225 HydrophobicContact CZ3-CB 4.22Å; E221-Q225 HydrophobicContact CB-CG 4.23Å; E221-Q225 VanDerWaalsContact CD-NE2 3.34Å; E221-Q225 VanDerWaalsContact O-CB 3.31Å; E221-Q225 WeakPolarHBondContact O-CB 3.39Å; E221-Q225 PolarHBondContact O-N 2.59Å; F223-Q225 PolarHBondContact O-N 3.25Å
226	T	96.9	Very high	96.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-11.4	176	62.7	0	0	0	0	112.9	Q33 F36 M37 W40 E222 F223	Q33-T226 WeakPolarHBondContact CG-O 3.49Å; Q33-T226 PolarHBondContact NE2-OG1 2.93Å; F36-T226 HydrophobicContact CB-CG2 4.21Å; F36-T226 HydrophobicContact CD1-CG2 3.86Å; F36-T226 HydrophobicContact CD2-CG2 3.86Å; F36-T226 HydrophobicContact CE1-CG2 4.15Å; F36-T226 HydrophobicContact CE2-CG2 4.13Å; F36-T226 HydrophobicContact CG-CG2 3.71Å; F36-T226 HydrophobicContact CZ-CG2 4.26Å; M37-T226 HydrophobicContact CG-CG2 4.4Å; M37-T226 WeakPolarHBondContact CG-OG1 3.23Å; W40-T226 HydrophobicContact CE3-CG2 3.78Å; W40-T226 HydrophobicContact CZ3-CG2 4.09Å; E222-T226 WeakPolarHBondContact O-CG2 3.48Å; E222-T226 PolarHBondContact O-OG1 3.11Å; F223-T226 PolarHBondContact O-N 2.71Å; F223-T226 PolarHBondContact O-OG1 3.48Å
227	C	97.1	Very high	96.4	Very high	25 Å²	25	49 Å²	49	17%	0.169	25%	0.25	C	C	.	.	S	Bend	trans	-66	135.1	175.1	-78.2	0	0	0	0	111.3	Q33 F223	Q33-C227 PolarHBondContact NE2-SG 2.96Å; F223-C227 PolarHBondContact O-N 2.87Å; F223-C227 VanDerWaalsContact O-N 3.13Å; F223-C227 PolarHBondContact O-SG 3.05Å
228	P	96.4	Very high	96.1	Very high	7 Å²	7	52.5 Å²	52.5	5%	0.045	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67.3	159.7	167.9	31.4	-35.2	0	0	0	110.3	V26 E232 I233	V26-P228 HydrophobicContact CG1-CB 4.28Å; V26-P228 WeakPolarHBondContact O-CB 3.27Å; P228-E232 HydrophobicContact CB-CB 4.4Å; P228-I233 HydrophobicContact CG-CD1 4.01Å; P228-I233 HydrophobicContact CG-CG1 3.86Å
229	A	96.5	Very high	95.3	Very high	59 Å²	59	55 Å²	55	49%	0.488	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-61.1	144.1	171.7	0	0	0	0	0	111	I231 E232	A229-I231 HydrophobicContact CB-CG2 4.03Å; A229-I231 PolarHBondContact O-N 3.36Å; A229-I231 VanDerWaalsContact O-N 3.1Å; A229-E232 HydrophobicContact CB-CG 4.43Å; A229-E232 WeakPolarHBondContact O-CB 3.47Å; A229-E232 PolarHBondContact O-N 3.17Å
230	N	96.5	Very high	94.6	Very high	80 Å²	80	49.6 Å²	49.6	43%	0.428	26%	0.263	S	S	.	.	H	α-helix	trans	-51.7	-40.3	-178.8	-69.3	-3.8	0	0	0	112.6	I193 E232 I233 E234	I193-N230 WeakPolarHBondContact CD1-OD1 3.4Å; I193-N230 HydrophobicContact CG2-CB 4.01Å; N230-E232 PolarHBondContact O-N 2.66Å; N230-I233 WeakPolarHBondContact O-CB 3.21Å; N230-I233 PolarHBondContact O-N 2.81Å; N230-I233 VanDerWaalsContact O-N 3.1Å; N230-E234 WeakPolarHBondContact O-CG 3.34Å; N230-E234 PolarHBondContact O-N 3.19Å
231	I	95.6	Very high	93.8	Very high	81 Å²	81	46.8 Å²	46.8	42%	0.415	25%	0.254	S	S	.	.	H	α-helix	trans	-59.2	-32	179.2	-172.1	60.1	0	0	0	113.1	A229 E234 K235	A229-I231 HydrophobicContact CB-CG2 4.03Å; A229-I231 PolarHBondContact O-N 3.36Å; A229-I231 VanDerWaalsContact O-N 3.1Å; I231-E234 PolarHBondContact O-N 2.94Å; I231-K235 HydrophobicContact CD1-CD 4.48Å; I231-K235 HydrophobicContact CD1-CG 4.23Å; I231-K235 HydrophobicContact CG1-CD 4.13Å; I231-K235 HydrophobicContact CG1-CG 4.34Å; I231-K235 WeakPolarHBondContact O-CB 3.43Å; I231-K235 VanDerWaalsContact O-CG 3.25Å; I231-K235 WeakPolarHBondContact O-CG 3.44Å; I231-K235 PolarHBondContact O-N 3.31Å
232	E	95.5	Very high	92.7	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-72.7	-34.7	178.6	-66.8	-56.8	126.2	0	0	111.7	G20 H21 P228 A229 N230 K235 A236	G20-E232 WeakPolarHBondContact CA-OE2 3.43Å; H21-E232 IonicContact CE1-OE2 3.98Å; H21-E232 IonicContact CG-OE2 2.83Å; H21-E232 PolarHBondContact N-OE2 2.94Å; H21-E232 IonicContact ND1-OE1 3.59Å; H21-E232 IonicContact ND1-OE2 2.69Å; H21-E232 PolarHBondContact ND1-OE2 3.32Å; P228-E232 HydrophobicContact CB-CB 4.4Å; A229-E232 HydrophobicContact CB-CG 4.43Å; A229-E232 WeakPolarHBondContact O-CB 3.47Å; A229-E232 PolarHBondContact O-N 3.17Å; N230-E232 PolarHBondContact O-N 2.66Å; E232-K235 IonicContact OE1-NZ 3.68Å; E232-A236 VanDerWaalsContact O-CB 3.26Å; E232-A236 WeakPolarHBondContact O-CB 3.47Å; E232-A236 PolarHBondContact O-N 2.78Å
233	I	96.3	Very high	91	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-49.4	171.6	-57.3	172.8	0	0	0	109.4	N28 H189 V190 I193 A194 P228 N230 K235 A236 Y237	N28-I233 HydrophobicContact CB-CG1 4.28Å; H189-I233 VanDerWaalsContact CD2-CD1 3.5Å; H189-I233 WeakPolarHBondContact CD2-CD1 3.43Å; V190-I233 HydrophobicContact CB-CG2 4.41Å; V190-I233 HydrophobicContact CG1-CG2 4.09Å; V190-I233 HydrophobicContact CG2-CD1 4.19Å; V190-I233 HydrophobicContact CG2-CG1 4.39Å; V190-I233 HydrophobicContact CG2-CG2 4.26Å; I193-I233 HydrophobicContact CB-CB 4.49Å; I193-I233 HydrophobicContact CB-CD1 4.17Å; I193-I233 HydrophobicContact CB-CG2 4.2Å; I193-I233 HydrophobicContact CG1-CD1 4.04Å; I193-I233 HydrophobicContact CG2-CB 4.13Å; I193-I233 HydrophobicContact CG2-CD1 4.44Å; I193-I233 HydrophobicContact CG2-CG2 4.19Å; A194-I233 HydrophobicContact CB-CG2 4.11Å; P228-I233 HydrophobicContact CG-CD1 4.01Å; P228-I233 HydrophobicContact CG-CG1 3.86Å; N230-I233 WeakPolarHBondContact O-CB 3.21Å; N230-I233 PolarHBondContact O-N 2.81Å; N230-I233 VanDerWaalsContact O-N 3.1Å; I233-K235 PolarHBondContact O-N 2.8Å; I233-A236 PolarHBondContact O-N 3.02Å; I233-Y237 HydrophobicContact CG2-CD2 4.18Å; I233-Y237 HydrophobicContact CG2-CE2 4.37Å; I233-Y237 WeakPolarHBondContact O-CD2 3.37Å; I233-Y237 PolarHBondContact O-N 3.11Å
234	E	95.3	Very high	89.5	Confident	37 Å²	37	53.4 Å²	53.4	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-53.6	-179.9	-69.6	-179.4	-161.6	0	0	111.2	I193 K197 Y198 N230 I231 A236 Y237 L238	I193-E234 HydrophobicContact CG2-CG 4.07Å; K197-E234 HydrophobicContact CB-CG 4.25Å; K197-E234 HydrophobicContact CD-CG 4.36Å; K197-E234 VanDerWaalsContact CE-OE2 3.28Å; K197-E234 WeakPolarHBondContact CE-OE2 3.14Å; K197-E234 HydrophobicContact CG-CG 3.97Å; K197-E234 IonicContact NZ-OE2 3.89Å; K197-E234 PolarHBondContact NZ-OE2 2.92Å; Y198-E234 WeakPolarHBondContact CE2-O 3.4Å; Y198-E234 VanDerWaalsContact OH-C 3.29Å; Y198-E234 PolarHBondContact OH-O 3.31Å; N230-E234 WeakPolarHBondContact O-CG 3.34Å; N230-E234 PolarHBondContact O-N 3.19Å; I231-E234 PolarHBondContact O-N 2.94Å; E234-A236 VanDerWaalsContact C-N 3.3Å; E234-A236 PolarHBondContact O-N 3.04Å; E234-Y237 PolarHBondContact O-N 3.09Å; E234-Y237 VanDerWaalsContact O-N 3.09Å; E234-L238 PolarHBondContact O-N 3.05Å; E234-L238 VanDerWaalsContact O-N 3.09Å
235	K	93	Very high	87.4	Confident	83 Å²	83	61.2 Å²	61.2	36%	0.361	32%	0.32	S	S	.	.	H	α-helix	trans	-58.3	-40.6	179	-73.2	172.6	179.8	166.1	0	112.4	H21 I231 E232 I233 Y237 L238	H21-K235 HydrophobicContact CB-CD 4.13Å; H21-K235 WeakPolarHBondContact CE1-CB 3.14Å; I231-K235 HydrophobicContact CD1-CD 4.48Å; I231-K235 HydrophobicContact CD1-CG 4.23Å; I231-K235 HydrophobicContact CG1-CD 4.13Å; I231-K235 HydrophobicContact CG1-CG 4.34Å; I231-K235 WeakPolarHBondContact O-CB 3.43Å; I231-K235 VanDerWaalsContact O-CG 3.25Å; I231-K235 WeakPolarHBondContact O-CG 3.44Å; I231-K235 PolarHBondContact O-N 3.31Å; E232-K235 IonicContact OE1-NZ 3.68Å; I233-K235 PolarHBondContact O-N 2.8Å; K235-Y237 PolarHBondContact O-N 2.91Å; K235-L238 WeakPolarHBondContact O-CB 3.23Å; K235-L238 PolarHBondContact O-N 3.21Å
236	A	91.8	Very high	86.9	Confident	32 Å²	32	58.9 Å²	58.9	26%	0.264	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-25.9	179.5	0	0	0	0	0	113.6	N28 E232 I233 E234	N28-A236 HydrophobicContact CB-CB 3.89Å; N28-A236 VanDerWaalsContact ND2-CB 3.29Å; N28-A236 WeakPolarHBondContact ND2-CB 3.15Å; E232-A236 VanDerWaalsContact O-CB 3.26Å; E232-A236 WeakPolarHBondContact O-CB 3.47Å; E232-A236 PolarHBondContact O-N 2.78Å; I233-A236 PolarHBondContact O-N 3.02Å; E234-A236 VanDerWaalsContact C-N 3.3Å; E234-A236 PolarHBondContact O-N 3.04Å
237	Y	92.8	Very high	86.4	Confident	26 Å²	26	61.9 Å²	61.9	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-97.8	-8.7	178.2	-80.8	-92.6	0	0	0	114	F116 F119 I123 V190 A194 I233 E234 K235 D239 V240 T241	F116-Y237 WeakPolarHBondContact CZ-OH 3.44Å; F119-Y237 AromaticContact CE1-CE1 3.87Å; F119-Y237 HydrophobicContact CE1-CE1 3.87Å; F119-Y237 AromaticContact CE1-CZ 3.96Å; F119-Y237 HydrophobicContact CZ-CE1 4.21Å; I123-Y237 HydrophobicContact CD1-CD1 3.63Å; I123-Y237 HydrophobicContact CD1-CE1 4.21Å; I123-Y237 HydrophobicContact CD1-CG 4.21Å; I123-Y237 HydrophobicContact CG1-CD1 4.39Å; I123-Y237 HydrophobicContact CG2-CD1 4.19Å; I123-Y237 HydrophobicContact CG2-CE1 4.08Å; V190-Y237 HydrophobicContact CG1-CD2 4.43Å; V190-Y237 HydrophobicContact CG1-CE2 3.42Å; V190-Y237 VanDerWaalsContact CG1-CE2 3.42Å; V190-Y237 WeakPolarHBondContact CG1-OH 3.48Å; A194-Y237 HydrophobicContact CB-CD1 4.47Å; A194-Y237 HydrophobicContact CB-CD2 4.03Å; A194-Y237 HydrophobicContact CB-CE2 4.49Å; A194-Y237 HydrophobicContact CB-CG 4.01Å; I233-Y237 HydrophobicContact CG2-CD2 4.18Å; I233-Y237 HydrophobicContact CG2-CE2 4.37Å; I233-Y237 WeakPolarHBondContact O-CD2 3.37Å; I233-Y237 PolarHBondContact O-N 3.11Å; E234-Y237 PolarHBondContact O-N 3.09Å; E234-Y237 VanDerWaalsContact O-N 3.09Å; K235-Y237 PolarHBondContact O-N 2.91Å; Y237-D239 PolarHBondContact O-N 3.09Å; Y237-V240 HydrophobicContact CD1-CB 4.49Å; Y237-V240 HydrophobicContact CD1-CG2 4.48Å; Y237-V240 WeakPolarHBondContact O-CB 3.4Å; Y237-V240 PolarHBondContact O-N 3.33Å; Y237-V240 VanDerWaalsContact O-N 3.11Å; Y237-T241 WeakPolarHBondContact O-CG2 3.36Å; Y237-T241 PolarHBondContact O-N 3.37Å; Y237-T241 VanDerWaalsContact O-N 3.08Å; Y237-T241 PolarHBondContact O-OG1 3.09Å
238	L	91.3	Very high	85.8	Confident	74 Å²	74	64 Å²	64	39%	0.387	34%	0.336	S	S	.	.	H	α-helix	trans	-55.4	-47.6	179.7	-176.9	62.8	0	0	0	112.2	Y198 E234 K235 V240 T241 N242	Y198-L238 HydrophobicContact CE1-CD1 4.17Å; E234-L238 PolarHBondContact O-N 3.05Å; E234-L238 VanDerWaalsContact O-N 3.09Å; K235-L238 WeakPolarHBondContact O-CB 3.23Å; K235-L238 PolarHBondContact O-N 3.21Å; L238-V240 VanDerWaalsContact C-N 3.29Å; L238-V240 PolarHBondContact O-N 3.01Å; L238-T241 PolarHBondContact O-N 3.13Å; L238-T241 PolarHBondContact O-OG1 3.17Å; L238-N242 WeakPolarHBondContact O-CB 3.42Å; L238-N242 PolarHBondContact O-N 2.93Å; L238-N242 PolarHBondContact O-ND2 2.93Å; L238-N242 PolarHBondContact O-OD1 2.93Å
239	D	82.4	Confident	85.2	Confident	112 Å²	112	67.4 Å²	67.4	60%	0.599	35%	0.353	S	S	*	.	H	α-helix	trans	-66.9	-31.9	179.7	-68.5	-22.1	0	0	0	112.8	Y237 T241 K243	Y237-D239 PolarHBondContact O-N 3.09Å; D239-T241 VanDerWaalsContact C-N 3.29Å; D239-K243 WeakPolarHBondContact O-CG 3.43Å
240	V	82.7	Confident	84.4	Confident	41 Å²	41	67.9 Å²	67.9	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-67.6	-37.3	177.6	-179.1	0	0	0	0	109.9	K124 Y237 L238	K124-V240 HydrophobicContact CG-CG1 3.54Å; Y237-V240 HydrophobicContact CD1-CB 4.49Å; Y237-V240 HydrophobicContact CD1-CG2 4.48Å; Y237-V240 WeakPolarHBondContact O-CB 3.4Å; Y237-V240 PolarHBondContact O-N 3.33Å; Y237-V240 VanDerWaalsContact O-N 3.11Å; L238-V240 VanDerWaalsContact C-N 3.29Å; L238-V240 PolarHBondContact O-N 3.01Å
241	T	80.7	Confident	83.6	Confident	12 Å²	12	67.1 Å²	67.1	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-85.1	-29.5	-177.1	54.9	0	0	0	0	113	I123 Y198 Y237 L238 D239 K243 R244	I123-T241 HydrophobicContact CG1-CG2 4.07Å; Y198-T241 HydrophobicContact CD1-CG2 3.99Å; Y198-T241 HydrophobicContact CD2-CG2 4.04Å; Y198-T241 HydrophobicContact CG-CG2 3.67Å; Y237-T241 WeakPolarHBondContact O-CG2 3.36Å; Y237-T241 PolarHBondContact O-N 3.37Å; Y237-T241 VanDerWaalsContact O-N 3.08Å; Y237-T241 PolarHBondContact O-OG1 3.09Å; L238-T241 PolarHBondContact O-N 3.13Å; L238-T241 PolarHBondContact O-OG1 3.17Å; D239-T241 VanDerWaalsContact C-N 3.29Å; T241-K243 PolarHBondContact O-N 3.36Å; T241-R244 WeakPolarHBondContact O-CB 3.28Å; T241-R244 WeakPolarHBondContact O-CD 3.44Å; T241-R244 WeakPolarHBondContact O-CG 3.44Å; T241-R244 PolarHBondContact O-N 3.09Å; T241-R244 VanDerWaalsContact O-N 3.11Å
242	N	76.2	Confident	82.8	Confident	83 Å²	83	66.1 Å²	66.1	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-64.8	-26.1	175.8	-73	-13.5	0	0	0	112.5	L238 R244	L238-N242 WeakPolarHBondContact O-CB 3.42Å; L238-N242 PolarHBondContact O-N 2.93Å; L238-N242 PolarHBondContact O-ND2 2.93Å; L238-N242 PolarHBondContact O-OD1 2.93Å; N242-R244 PolarHBondContact O-N 3.33Å
243	K	62.8	Low	81.8	Confident	174 Å²	174	70.4 Å²	70.4	76%	0.757	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	0.8	174.2	-67.1	174.6	-176	-177.7	0	114.3	D239 T241	D239-K243 WeakPolarHBondContact O-CG 3.43Å; T241-K243 PolarHBondContact O-N 3.36Å
244	R	66.9	Low	80.6	Confident	29 Å²	29	76.3 Å²	76.3	11%	0.109	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-20.8	177.5	-62.7	172.7	178.3	-174.7	1	113.5	I123 N125 N126 Y198 C199 T241 N242	I123-R244 VanDerWaalsContact C-NH2 3.28Å; I123-R244 VanDerWaalsContact CA-NH2 3.33Å; I123-R244 VanDerWaalsContact CG1-NH2 3.32Å; I123-R244 PolarHBondContact O-NE 2.9Å; I123-R244 PolarHBondContact O-NH2 3.33Å; N125-R244 WeakPolarHBondContact O-CD 3.45Å; N125-R244 PolarHBondContact O-NE 3.13Å; N126-R244 PolarHBondContact ND2-O 3.07Å; Y198-R244 PolarHBondContact O-NH1 3.05Å; C199-R244 PolarHBondContact SG-NH2 3.28Å; T241-R244 WeakPolarHBondContact O-CB 3.28Å; T241-R244 WeakPolarHBondContact O-CD 3.44Å; T241-R244 WeakPolarHBondContact O-CG 3.44Å; T241-R244 PolarHBondContact O-N 3.09Å; T241-R244 VanDerWaalsContact O-N 3.11Å; N242-R244 PolarHBondContact O-N 3.33Å
245	L	51.6	Low	79.3	Confident	212 Å²	212	79.8 Å²	79.8	100%	1.11	41%	0.405	S	S	*	.			trans	-82.3	0	176.9	-65.6	170.5	0	0	0	109.6

Retrieved 245 of 245 residues in 703.9 ms (Link to these results)

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