A0A3Q0KUQ4_SCHMA Loading...

histone acetyltransferase

AlphaFold DB (A0A5K4EXN5), UniProt , Accession A0A3Q0KUQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 444 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	36.3	Very low	32.6	Very low	237 Å²	237	142.3 Å²	142.3	100%	1.167	78%	0.784	S	S	*	*				0	92.4	0	-70	176	-175.2	0	0	106.9
2	V	32.1	Very low	32.9	Very low	135 Å²	135	145.5 Å²	145.5	82%	0.818	78%	0.784	S	S	*	*			trans	-96.8	103.5	175.3	-178.2	0	0	0	0	105.2	N4	V2-N4 PolarHBondContact O-N 3.34Å
3	H	29	Very low	33.3	Very low	179 Å²	179	139.5 Å²	139.5	83%	0.829	78%	0.778	S	S	*	*			trans	-65.9	107.9	171.2	-96.2	-71.9	0	0	0	107.7	P5	H3-P5 WeakPolarHBondContact O-CD 3.48Å
4	N	28.6	Very low	34.8	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	76%	0.755	S	S	*	*			trans	-77.6	118.5	157.4	-92	-2.5	0	0	0	106.8	V2 T6	V2-N4 PolarHBondContact O-N 3.34Å; N4-T6 PolarHBondContact O-N 3.21Å
5	P	36.6	Very low	37.6	Very low	116 Å²	116	132.5 Å²	132.5	75%	0.753	75%	0.749	S	S	*	*			trans	-68.3	123.8	169.6	21.1	-14.6	0	0	0	107.5	H3 D7	H3-P5 WeakPolarHBondContact O-CD 3.48Å; P5-D7 PolarHBondContact O-N 2.93Å; P5-D7 VanDerWaalsContact O-N 3.13Å
6	T	34.3	Very low	40.3	Very low	118 Å²	118	127.7 Å²	127.7	72%	0.724	72%	0.72	S	S	*	*			trans	-62	108.6	166	41.3	0	0	0	0	107.3	N4 D8	N4-T6 PolarHBondContact O-N 3.21Å; T6-D8 PolarHBondContact O-N 3.13Å
7	D	33	Very low	42.7	Very low	139 Å²	139	122.6 Å²	122.6	74%	0.743	69%	0.691	S	S	*	*			trans	-71.3	82	170.9	-155	9.7	0	0	0	107	P5 T9	P5-D7 PolarHBondContact O-N 2.93Å; P5-D7 VanDerWaalsContact O-N 3.13Å; D7-T9 PolarHBondContact O-N 2.89Å
8	D	29.2	Very low	44.7	Very low	139 Å²	139	121.7 Å²	121.7	74%	0.743	69%	0.691	S	S	*	*			trans	-71.1	66.7	166.3	-79.4	-34.2	0	0	0	108	T6 D10	T6-D8 PolarHBondContact O-N 3.13Å; D8-D10 PolarHBondContact O-N 3.27Å
9	T	31.2	Very low	46.7	Very low	97 Å²	97	121 Å²	121	60%	0.595	69%	0.685	S	S	*	*			trans	-73.8	89.3	156.3	53.8	0	0	0	0	106.4	D7 V11	D7-T9 PolarHBondContact O-N 2.89Å; T9-V11 PolarHBondContact O-N 3.03Å
10	D	30.3	Very low	48.7	Very low	146 Å²	146	115.5 Å²	115.5	78%	0.781	65%	0.653	S	S	*	*			trans	-47.6	94.6	156	-91.8	-34.3	0	0	0	107.7	D8 K12	D8-D10 PolarHBondContact O-N 3.27Å; D10-K12 PolarHBondContact O-N 2.79Å
11	V	38	Very low	50.5	Low	119 Å²	119	114.3 Å²	114.3	72%	0.721	64%	0.642	S	S	*	*			trans	-66.4	81.8	162.4	-177.7	0	0	0	0	104.6	T9 G13	T9-V11 PolarHBondContact O-N 3.03Å; V11-G13 PolarHBondContact O-N 3.36Å
12	K	36.1	Very low	53	Low	181 Å²	181	107 Å²	107	79%	0.787	61%	0.608	S	S	*	*			trans	-43.4	111.9	166.5	-79.3	-178.3	175.5	177.9	0	105.5	D10 S14	D10-K12 PolarHBondContact O-N 2.79Å; K12-S14 VanDerWaalsContact C-N 3.29Å; K12-S14 WeakPolarHBondContact O-CA 3.35Å; K12-S14 PolarHBondContact O-N 2.74Å
13	G	37.9	Very low	55.6	Low	68 Å²	68	103.2 Å²	103.2	70%	0.701	60%	0.595	S	S	*	*			trans	-44.5	97.8	-174.3	0	0	0	0	0	109.3	V11 T15	V11-G13 PolarHBondContact O-N 3.36Å; G13-T15 VanDerWaalsContact C-N 3.29Å; G13-T15 PolarHBondContact O-N 2.87Å
14	S	55	Low	58.5	Low	66 Å²	66	98.3 Å²	98.3	46%	0.462	57%	0.573	S	S	.	*			trans	-79.4	92.6	-171.4	52.9	0	0	0	0	104.4	K12 I45	K12-S14 VanDerWaalsContact C-N 3.29Å; K12-S14 WeakPolarHBondContact O-CA 3.35Å; K12-S14 PolarHBondContact O-N 2.74Å; S14-I45 WeakPolarHBondContact O-CD1 3.4Å; S14-I45 WeakPolarHBondContact OG-CD1 2.88Å
15	T	76.5	Confident	61.4	Low	108 Å²	108	92.2 Å²	92.2	66%	0.663	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-78.1	147.3	173.9	48.7	0	0	0	0	108.7	G13 K51	G13-T15 VanDerWaalsContact C-N 3.29Å; G13-T15 PolarHBondContact O-N 2.87Å; T15-K51 WeakPolarHBondContact O-CE 2.91Å; T15-K51 PolarHBondContact O-NZ 3.29Å
16	L	81.1	Confident	64.1	Low	55 Å²	55	86.7 Å²	86.7	29%	0.288	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-55	163.1	169.1	-71.4	168.7	0	0	0	110.5	P18 I45 Y53	L16-P18 WeakPolarHBondContact O-CD 3.42Å; L16-I45 HydrophobicContact CD2-CG1 4.29Å; L16-Y53 HydrophobicContact CD2-CE1 4.21Å
17	D	80	Confident	66.9	Low	42 Å²	42	84 Å²	84	23%	0.225	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-61.2	121.1	176.9	-155.6	-44.1	0	0	0	109.9	D19 I20 K51 Y53	D17-D19 PolarHBondContact O-N 3.29Å; D17-D19 PolarHBondContact OD1-N 3.02Å; D17-I20 HydrophobicContact CB-CD1 4.06Å; D17-I20 HydrophobicContact CB-CG1 4.32Å; D17-I20 PolarHBondContact O-N 2.9Å; D17-K51 HydrophobicContact CB-CD 4.26Å; D17-Y53 WeakPolarHBondContact CA-OH 3.31Å; D17-Y53 WeakPolarHBondContact CB-OH 3.4Å; D17-Y53 PolarHBondContact N-OH 3.46Å
18	P	79.4	Confident	69.7	Low	105 Å²	105	77.4 Å²	77.4	68%	0.682	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	-177.8	26.1	-35.5	0	0	0	113.5	L16 I20	L16-P18 WeakPolarHBondContact O-CD 3.42Å; P18-I20 VanDerWaalsContact C-N 3.33Å
19	D	83.7	Confident	72.7	Confident	109 Å²	109	73.1 Å²	73.1	58%	0.583	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-19.2	-178.7	-66.2	-22.2	0	0	0	112.6	D17 Y26 C75	D17-D19 PolarHBondContact O-N 3.29Å; D17-D19 PolarHBondContact OD1-N 3.02Å; D19-Y26 PolarHBondContact O-OH 2.92Å; D19-C75 HydrophobicContact CB-CB 4.43Å
20	I	86.1	Confident	75.6	Confident	10 Å²	10	70.5 Å²	70.5	5%	0.051	40%	0.404	C	S	.	.			trans	-103.8	109.9	-178.1	-57.2	169	0	0	0	109.6	D17 P18 Y26 V40 Y53 I73 C75	D17-I20 HydrophobicContact CB-CD1 4.06Å; D17-I20 HydrophobicContact CB-CG1 4.32Å; D17-I20 PolarHBondContact O-N 2.9Å; P18-I20 VanDerWaalsContact C-N 3.33Å; I20-Y26 HydrophobicContact CG2-CE2 4.33Å; I20-V40 HydrophobicContact CG2-CG1 4.17Å; I20-V40 HydrophobicContact CG2-CG2 4.07Å; I20-Y53 HydrophobicContact CB-CE1 3.91Å; I20-Y53 HydrophobicContact CB-CE2 4.41Å; I20-Y53 HydrophobicContact CD1-CD2 4.06Å; I20-Y53 HydrophobicContact CD1-CE2 3.53Å; I20-Y53 HydrophobicContact CG2-CD1 3.73Å; I20-Y53 HydrophobicContact CG2-CD2 4.47Å; I20-Y53 HydrophobicContact CG2-CE1 3.51Å; I20-Y53 HydrophobicContact CG2-CE2 4.33Å; I20-Y53 HydrophobicContact CG2-CG 4.19Å; I20-I73 HydrophobicContact CD1-CB 4.21Å; I20-I73 HydrophobicContact CD1-CD1 4.02Å; I20-I73 HydrophobicContact CD1-CG2 4.36Å; I20-I73 HydrophobicContact CG1-CG2 4.36Å; I20-I73 HydrophobicContact CG2-CD1 4.23Å; I20-C75 WeakPolarHBondContact CG1-SG 3.41Å
21	Q	87	Confident	78.1	Confident	91 Å²	91	69.3 Å²	69.3	43%	0.425	41%	0.406	S	S	.	.			trans	-98.5	131.2	-179.5	-70.3	176.9	-14.4	0	0	111.1	E24 Y26	Q21-E24 HydrophobicContact CB-CB 4.32Å; Q21-E24 HydrophobicContact CB-CG 3.69Å; Q21-E24 PolarHBondContact O-N 3.32Å; Q21-Y26 PolarHBondContact N-OH 3.39Å
22	I	88.4	Confident	80.3	Confident	85 Å²	85	66.1 Å²	66.1	44%	0.436	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	134.3	173.9	-61.2	173	0	0	0	109	V40 I41	I22-V40 HydrophobicContact CG1-CG1 4.47Å; I22-I41 VanDerWaalsContact CG2-O 3.24Å; I22-I41 WeakPolarHBondContact CG2-O 3.29Å
23	G	86.1	Confident	82.7	Confident	54 Å²	54	60.1 Å²	60.1	56%	0.557	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	-15.4	-176.6	0	0	0	0	0	114.3	V40	G23-V40 WeakPolarHBondContact CA-O 3.49Å; G23-V40 PolarHBondContact N-O 3.2Å
24	E	89.5	Confident	85.2	Confident	77 Å²	77	62.2 Å²	62.2	36%	0.36	37%	0.371	S	S	.	.			trans	-87.4	160.2	179.9	-65.2	-66.8	134.3	0	0	112.3	Q21 Y26 A39 V40	Q21-E24 HydrophobicContact CB-CB 4.32Å; Q21-E24 HydrophobicContact CB-CG 3.69Å; Q21-E24 PolarHBondContact O-N 3.32Å; E24-Y26 HydrophobicContact CB-CD2 4.31Å; E24-Y26 HydrophobicContact CB-CE2 3.58Å; E24-A39 WeakPolarHBondContact O-CA 3.35Å; E24-V40 PolarHBondContact O-N 2.79Å
25	V	91	Very high	86.8	Confident	11 Å²	11	64.8 Å²	64.8	7%	0.067	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.3	179.4	-176.7	0	0	0	0	110.3	P37 A38 A39 L79 C83	V25-P37 HydrophobicContact CG1-CB 4.22Å; V25-A38 WeakPolarHBondContact CA-O 3.46Å; V25-A39 HydrophobicContact CG2-CB 4.19Å; V25-L79 HydrophobicContact CB-CB 4.34Å; V25-L79 HydrophobicContact CG1-CB 4.12Å; V25-L79 HydrophobicContact CG1-CD1 4.42Å; V25-L79 PolarHBondContact O-N 3.47Å; V25-L79 VanDerWaalsContact O-N 3.12Å; V25-C83 HydrophobicContact CG2-CB 4.25Å
26	Y	92.7	Very high	87.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	166	-179.7	-64.5	-90.9	0	0	0	111	D19 I20 Q21 E24 P37 A38 V40 I73 K78	D19-Y26 PolarHBondContact O-OH 2.92Å; I20-Y26 HydrophobicContact CG2-CE2 4.33Å; Q21-Y26 PolarHBondContact N-OH 3.39Å; E24-Y26 HydrophobicContact CB-CD2 4.31Å; E24-Y26 HydrophobicContact CB-CE2 3.58Å; Y26-P37 CarbonylContact O-C 3.42Å; Y26-P37 WeakPolarHBondContact O-CA 3.28Å; Y26-A38 PolarHBondContact N-O 3.43Å; Y26-A38 PolarHBondContact O-N 3.15Å; Y26-V40 HydrophobicContact CD2-CG2 3.65Å; Y26-V40 HydrophobicContact CE2-CG2 4.07Å; Y26-I73 HydrophobicContact CD1-CG2 4.11Å; Y26-I73 HydrophobicContact CD2-CG2 4.32Å; Y26-I73 HydrophobicContact CG-CG2 3.78Å; Y26-K78 HydrophobicContact CE1-CG 4.16Å
27	K	92.1	Very high	88.1	Confident	62 Å²	62	60.2 Å²	60.2	27%	0.27	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.5	167.4	-68.7	174.6	-177.2	160.8	0	108.6	Y35 D74 E77 L79	K27-Y35 HydrophobicContact CB-CD1 4.04Å; K27-D74 HydrophobicContact CB-CB 4.13Å; K27-D74 WeakPolarHBondContact O-CB 3.37Å; K27-D74 PolarHBondContact O-N 3.12Å; K27-E77 IonicContact NZ-OE2 3.45Å; K27-E77 PolarHBondContact NZ-OE2 3.32Å; K27-L79 HydrophobicContact CG-CD1 3.7Å
28	V	92.6	Very high	88.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.8	-178.4	-178.3	0	0	0	0	110.6	R30 Y35 Y36 A38 V55 Y57 V68 R72 I73	V28-R30 PolarHBondContact O-N 3.11Å; V28-Y35 WeakPolarHBondContact O-CA 3.42Å; V28-Y36 PolarHBondContact N-O 3.24Å; V28-Y36 PolarHBondContact O-N 2.69Å; V28-A38 HydrophobicContact CB-CB 4.11Å; V28-A38 HydrophobicContact CG2-CB 3.69Å; V28-V55 HydrophobicContact CG1-CG2 4.39Å; V28-V55 HydrophobicContact CG2-CG1 4.33Å; V28-Y57 HydrophobicContact CB-CE1 4.08Å; V28-Y57 HydrophobicContact CG1-CE1 4.18Å; V28-V68 HydrophobicContact CG1-CB 4.45Å; V28-V68 HydrophobicContact CG1-CG1 4.08Å; V28-V68 HydrophobicContact CG1-CG2 4.11Å; V28-R72 WeakPolarHBondContact CA-O 3.46Å; V28-R72 HydrophobicContact CG1-CB 4.46Å; V28-I73 HydrophobicContact CG2-CG1 4.16Å
29	L	92.5	Very high	89.3	Confident	49 Å²	49	54 Å²	54	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124	176.8	-176.4	61.2	0	0	0	110.2	G33 Y35 R72	L29-G33 VanDerWaalsContact CD1-C 3.47Å; L29-G33 WeakPolarHBondContact CD1-O 3.29Å; L29-Y35 HydrophobicContact CB-CD1 4.05Å; L29-Y35 HydrophobicContact CB-CE1 3.65Å; L29-Y35 HydrophobicContact CB-CE2 4.47Å; L29-Y35 HydrophobicContact CD1-CD2 4.01Å; L29-Y35 HydrophobicContact CD1-CE1 4.44Å; L29-Y35 HydrophobicContact CD1-CE2 3.76Å; L29-Y35 HydrophobicContact CD1-CG 4.45Å; L29-R72 HydrophobicContact CB-CB 4.4Å; L29-R72 PolarHBondContact N-O 3.46Å; L29-R72 VanDerWaalsContact O-CZ 3.23Å; L29-R72 PolarHBondContact O-NE 3.47Å; L29-R72 PolarHBondContact O-NH2 3.33Å
30	R	90.8	Very high	89.7	Confident	43 Å²	43	48.9 Å²	48.9	16%	0.162	28%	0.279	C	S	.	.			trans	-93.2	166	172.8	-69.2	-167.4	72.3	-159.6	0.5	112.1	V28 S32 G33 Q34 Y36 Y57	V28-R30 PolarHBondContact O-N 3.11Å; R30-S32 PolarHBondContact O-N 2.97Å; R30-S32 VanDerWaalsContact O-N 3.08Å; R30-G33 PolarHBondContact O-N 2.97Å; R30-Q34 PolarHBondContact N-O 2.85Å; R30-Y36 HydrophobicContact CB-CD2 4.28Å; R30-Y36 HydrophobicContact CB-CE2 4.45Å; R30-Y36 VanDerWaalsContact CD-CD2 3.47Å; R30-Y36 HydrophobicContact CG-CD2 3.77Å; R30-Y36 HydrophobicContact CG-CE2 4.31Å; R30-Y57 HydrophobicContact CG-CD1 4.44Å; R30-Y57 HydrophobicContact CG-CE1 3.56Å; R30-Y57 HydrophobicContact CG-CE2 4.48Å; R30-Y57 WeakPolarHBondContact CG-OH 3.33Å
31	S	83.2	Confident	89.9	Confident	120 Å²	120	48.8 Å²	48.8	84%	0.839	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.3	173.7	55.3	0	0	0	0	114.1	G33	S31-G33 PolarHBondContact O-N 3.05Å
32	S	84.2	Confident	90.1	Very high	53 Å²	53	47.9 Å²	47.9	37%	0.371	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.6	170.5	58.7	0	0	0	0	114	R30 Q34	R30-S32 PolarHBondContact O-N 2.97Å; R30-S32 VanDerWaalsContact O-N 3.08Å; S32-Q34 VanDerWaalsContact C-N 3.3Å
33	G	86.4	Confident	90.2	Very high	55 Å²	55	44.5 Å²	44.5	57%	0.567	26%	0.26	S	S	*	.	S	Bend	trans	81.3	5.4	-173	0	0	0	0	0	114.1	L29 R30 S31	L29-G33 VanDerWaalsContact CD1-C 3.47Å; L29-G33 WeakPolarHBondContact CD1-O 3.29Å; R30-G33 PolarHBondContact O-N 2.97Å; S31-G33 PolarHBondContact O-N 3.05Å
34	Q	89.8	Confident	90.3	Very high	111 Å²	111	44 Å²	44	52%	0.519	24%	0.241	S	C	.	.			trans	-105.5	146.9	179.2	-68.3	-176.2	-17.8	0	0	111.6	R30 S32 Y36	R30-Q34 PolarHBondContact N-O 2.85Å; S32-Q34 VanDerWaalsContact C-N 3.3Å; Q34-Y36 HydrophobicContact CB-CD2 4.4Å; Q34-Y36 HydrophobicContact CB-CE2 3.71Å; Q34-Y36 PolarHBondContact OE1-OH 2.9Å; Q34-Y36 VanDerWaalsContact OE1-OH 3.12Å
35	Y	90.1	Very high	90.2	Very high	120 Å²	120	43.1 Å²	43.1	47%	0.471	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136	175.2	-75	-90.3	0	0	0	111.1	K27 V28 L29 D74	K27-Y35 HydrophobicContact CB-CD1 4.04Å; V28-Y35 WeakPolarHBondContact O-CA 3.42Å; L29-Y35 HydrophobicContact CB-CD1 4.05Å; L29-Y35 HydrophobicContact CB-CE1 3.65Å; L29-Y35 HydrophobicContact CB-CE2 4.47Å; L29-Y35 HydrophobicContact CD1-CD2 4.01Å; L29-Y35 HydrophobicContact CD1-CE1 4.44Å; L29-Y35 HydrophobicContact CD1-CE2 3.76Å; L29-Y35 HydrophobicContact CD1-CG 4.45Å; Y35-D74 HydrophobicContact CD1-CB 4.45Å; Y35-D74 HydrophobicContact CE1-CB 4.05Å
36	Y	91.3	Very high	89.8	Confident	31 Å²	31	43.9 Å²	43.9	12%	0.122	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145	176.7	-71.7	-94.5	0	0	0	110.7	V28 R30 Q34 A38 H60	V28-Y36 PolarHBondContact N-O 3.24Å; V28-Y36 PolarHBondContact O-N 2.69Å; R30-Y36 HydrophobicContact CB-CD2 4.28Å; R30-Y36 HydrophobicContact CB-CE2 4.45Å; R30-Y36 VanDerWaalsContact CD-CD2 3.47Å; R30-Y36 HydrophobicContact CG-CD2 3.77Å; R30-Y36 HydrophobicContact CG-CE2 4.31Å; Q34-Y36 HydrophobicContact CB-CD2 4.4Å; Q34-Y36 HydrophobicContact CB-CE2 3.71Å; Q34-Y36 PolarHBondContact OE1-OH 2.9Å; Q34-Y36 VanDerWaalsContact OE1-OH 3.12Å; Y36-A38 PolarHBondContact O-N 2.8Å; Y36-H60 AromaticContact CD1-CE1 3.81Å; Y36-H60 AromaticContact CD1-NE2 3.93Å; Y36-H60 AromaticContact CE1-NE2 3.88Å
37	P	92.6	Very high	89	Confident	37 Å²	37	48.1 Å²	48.1	24%	0.24	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126	170.8	28.3	-33.2	0	0	0	109.5	V25 Y26 C58 L79 I81	V25-P37 HydrophobicContact CG1-CB 4.22Å; Y26-P37 CarbonylContact O-C 3.42Å; Y26-P37 WeakPolarHBondContact O-CA 3.28Å; P37-C58 HydrophobicContact CB-CB 4.44Å; P37-C58 HydrophobicContact CG-CB 4.36Å; P37-C58 PolarHBondContact O-N 2.95Å; P37-L79 HydrophobicContact CB-CD1 4Å; P37-I81 HydrophobicContact CB-CD1 3.79Å; P37-I81 HydrophobicContact CG-CD1 4.31Å
38	A	93	Very high	88.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.1	177.7	0	0	0	0	0	111.3	V25 Y26 V28 Y36 V55 H56 Y57	V25-A38 WeakPolarHBondContact CA-O 3.46Å; Y26-A38 PolarHBondContact N-O 3.43Å; Y26-A38 PolarHBondContact O-N 3.15Å; V28-A38 HydrophobicContact CB-CB 4.11Å; V28-A38 HydrophobicContact CG2-CB 3.69Å; Y36-A38 PolarHBondContact O-N 2.8Å; A38-V55 HydrophobicContact CB-CB 4.03Å; A38-V55 HydrophobicContact CB-CG2 4.46Å; A38-H56 CarbonylContact C-O 3.51Å; A38-H56 WeakPolarHBondContact CA-O 3.43Å; A38-H56 WeakPolarHBondContact CB-O 3.49Å; A38-Y57 HydrophobicContact CB-CD1 3.72Å; A38-Y57 HydrophobicContact CB-CE1 4.05Å; A38-Y57 HydrophobicContact CB-CG 4.3Å
39	A	92.4	Very high	88.1	Confident	17 Å²	17	54 Å²	54	14%	0.14	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.6	172.7	0	0	0	0	0	109.7	E24 V25 V55 H56	E24-A39 WeakPolarHBondContact O-CA 3.35Å; V25-A39 HydrophobicContact CG2-CB 4.19Å; A39-V55 WeakPolarHBondContact O-CA 3.27Å; A39-H56 PolarHBondContact N-O 2.89Å; A39-H56 PolarHBondContact O-N 2.9Å
40	V	92.2	Very high	87.9	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.006	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	118.4	172.7	176.5	0	0	0	0	108.4	I20 I22 G23 E24 Y26 Y53 V55 I73	I20-V40 HydrophobicContact CG2-CG1 4.17Å; I20-V40 HydrophobicContact CG2-CG2 4.07Å; I22-V40 HydrophobicContact CG1-CG1 4.47Å; G23-V40 WeakPolarHBondContact CA-O 3.49Å; G23-V40 PolarHBondContact N-O 3.2Å; E24-V40 PolarHBondContact O-N 2.79Å; Y26-V40 HydrophobicContact CD2-CG2 3.65Å; Y26-V40 HydrophobicContact CE2-CG2 4.07Å; V40-Y53 HydrophobicContact CG1-CD1 3.77Å; V40-Y53 HydrophobicContact CG1-CG 4.38Å; V40-V55 HydrophobicContact CG2-CG1 4.23Å; V40-I73 HydrophobicContact CG2-CD1 4.32Å
41	I	90.1	Very high	87.8	Confident	7 Å²	7	56.3 Å²	56.3	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-44	-169.8	-71.5	-176.3	0	0	0	111.7	I22 Y54 H56 R137 V138	I22-I41 VanDerWaalsContact CG2-O 3.24Å; I22-I41 WeakPolarHBondContact CG2-O 3.29Å; I41-Y54 HydrophobicContact CB-CD1 3.9Å; I41-Y54 WeakPolarHBondContact CB-O 3.22Å; I41-Y54 HydrophobicContact CD1-CD1 3.9Å; I41-Y54 HydrophobicContact CD1-CE1 4.05Å; I41-Y54 HydrophobicContact CG1-CD1 4.4Å; I41-Y54 HydrophobicContact CG2-CD1 3.79Å; I41-Y54 PolarHBondContact N-O 3.15Å; I41-H56 HydrophobicContact CD1-CB 3.31Å; I41-H56 HydrophobicContact CG1-CB 4.17Å; I41-R137 HydrophobicContact CD1-CG 4.03Å; I41-R137 HydrophobicContact CG2-CG 3.88Å; I41-R137 PolarHBondContact O-NH2 2.68Å; I41-V138 HydrophobicContact CG2-CG2 3.42Å; I41-V138 VanDerWaalsContact CG2-CG2 3.42Å
42	E	91	Very high	88.3	Confident	73 Å²	73	51.1 Å²	51.1	34%	0.341	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	151.9	-172.9	-171.2	59.7	-93.3	0	0	109.7	Y53 Y54 W67 V138	E42-Y53 CarbonylContact O-C 3.6Å; E42-Y53 WeakPolarHBondContact O-CA 3.42Å; E42-Y54 PolarHBondContact O-N 3.45Å; E42-W67 HydrophobicContact CB-CH2 4.12Å; E42-W67 HydrophobicContact CG-CH2 3.99Å; E42-V138 HydrophobicContact CB-CG1 4.47Å; E42-V138 HydrophobicContact CB-CG2 3.7Å; E42-V138 HydrophobicContact CG-CG2 4.26Å
43	G	90.1	Very high	88.7	Confident	14 Å²	14	48.6 Å²	48.6	14%	0.144	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.9	175.1	0	0	0	0	0	111.6
44	R	88.8	Confident	89.1	Confident	42 Å²	42	46.1 Å²	46.1	16%	0.158	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	164.2	173.3	78.9	-177.3	-179.9	-167.4	-4.1	111.5	E52 W67 F140 D142	R44-E52 HydrophobicContact CG-CB 3.99Å; R44-E52 IonicContact CZ-OE2 3.45Å; R44-E52 PolarHBondContact N-O 2.99Å; R44-E52 IonicContact NE-OE2 3.94Å; R44-E52 PolarHBondContact NE-OE2 3.46Å; R44-E52 IonicContact NH2-OE2 3.98Å; R44-E52 PolarHBondContact NH2-OE2 3.27Å; R44-E52 PolarHBondContact O-N 2.84Å; R44-E52 VanDerWaalsContact O-O 3.08Å; R44-W67 HydrophobicContact CB-CH2 3.92Å; R44-W67 HydrophobicContact CB-CZ3 3.76Å; R44-W67 HydrophobicContact CG-CD2 4.35Å; R44-W67 HydrophobicContact CG-CE3 3.68Å; R44-W67 HydrophobicContact CG-CH2 3.84Å; R44-W67 HydrophobicContact CG-CZ2 4.46Å; R44-W67 HydrophobicContact CG-CZ3 3.41Å; R44-W67 VanDerWaalsContact CG-CZ3 3.41Å; R44-F140 PolarHBondContact NH1-O 2.88Å; R44-D142 IonicContact NH2-OD2 3.78Å; R44-D142 PolarHBondContact NH2-OD2 3.32Å
45	I	86.8	Confident	89.2	Confident	59 Å²	59	40.9 Å²	40.9	30%	0.303	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.5	169.5	-58.7	179.2	0	0	0	106	S14 L16 N50	S14-I45 WeakPolarHBondContact O-CD1 3.4Å; S14-I45 WeakPolarHBondContact OG-CD1 2.88Å; L16-I45 HydrophobicContact CD2-CG1 4.29Å; I45-N50 CarbonylContact C-O 3.6Å; I45-N50 WeakPolarHBondContact CA-O 3.18Å
46	D	82.2	Confident	89.3	Confident	28 Å²	28	36 Å²	36	15%	0.15	22%	0.22	C	C	.	.			trans	-70.3	171.3	179.8	80.7	-0.8	0	0	0	111	N48 G49 N50	D46-N48 PolarHBondContact O-N 2.98Å; D46-N48 VanDerWaalsContact OD1-C 3.31Å; D46-N48 VanDerWaalsContact OD1-CA 3.29Å; D46-N48 WeakPolarHBondContact OD1-CA 3.45Å; D46-N48 WeakPolarHBondContact OD1-CB 3.06Å; D46-N48 PolarHBondContact OD1-N 2.76Å; D46-G49 PolarHBondContact O-N 3.29Å; D46-G49 PolarHBondContact OD1-N 2.87Å; D46-N50 PolarHBondContact N-O 2.88Å; D46-N50 WeakPolarHBondContact OD1-CB 3.36Å; D46-N50 PolarHBondContact OD1-N 2.62Å; D46-N50 WeakPolarHBondContact OD2-CB 3.5Å; D46-N50 PolarHBondContact OD2-ND2 2.91Å
47	G	77.2	Confident	89.3	Confident	89 Å²	89	34.5 Å²	34.5	92%	0.918	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.9	178.3	0	0	0	0	0	114.6
48	N	81.7	Confident	89.1	Confident	137 Å²	137	32.8 Å²	32.8	73%	0.733	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.7	176.3	-56.2	-40.6	0	0	0	112.3	D46	D46-N48 PolarHBondContact O-N 2.98Å; D46-N48 VanDerWaalsContact OD1-C 3.31Å; D46-N48 VanDerWaalsContact OD1-CA 3.29Å; D46-N48 WeakPolarHBondContact OD1-CA 3.45Å; D46-N48 WeakPolarHBondContact OD1-CB 3.06Å; D46-N48 PolarHBondContact OD1-N 2.76Å
49	G	83.6	Confident	88.7	Confident	47 Å²	47	35.8 Å²	35.8	49%	0.485	22%	0.219	S	C	.	.	S	Bend	trans	84.4	5.7	-175.7	0	0	0	0	0	114.5	D46	D46-G49 PolarHBondContact O-N 3.29Å; D46-G49 PolarHBondContact OD1-N 2.87Å
50	N	87.8	Confident	88.4	Confident	82 Å²	82	35.9 Å²	35.9	44%	0.439	22%	0.217	S	C	.	.			trans	-76.1	140.6	175.8	-54.5	-50.2	0	0	0	110.3	I45 D46	I45-N50 CarbonylContact C-O 3.6Å; I45-N50 WeakPolarHBondContact CA-O 3.18Å; D46-N50 PolarHBondContact N-O 2.88Å; D46-N50 WeakPolarHBondContact OD1-CB 3.36Å; D46-N50 PolarHBondContact OD1-N 2.62Å; D46-N50 WeakPolarHBondContact OD2-CB 3.5Å; D46-N50 PolarHBondContact OD2-ND2 2.91Å
51	K	90.4	Very high	88	Confident	60 Å²	60	37 Å²	37	26%	0.261	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.4	177.1	-54.3	179	-172.7	-171.7	0	109	T15 D17 Y53 S70	T15-K51 WeakPolarHBondContact O-CE 2.91Å; T15-K51 PolarHBondContact O-NZ 3.29Å; D17-K51 HydrophobicContact CB-CD 4.26Å; K51-Y53 HydrophobicContact CB-CE2 4.24Å; K51-S70 PolarHBondContact O-N 2.77Å
52	E	92.7	Very high	87.9	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145	177.3	-68.7	-175.8	150.7	0	0	109.8	R44 W67 V68 K167	R44-E52 HydrophobicContact CG-CB 3.99Å; R44-E52 IonicContact CZ-OE2 3.45Å; R44-E52 PolarHBondContact N-O 2.99Å; R44-E52 IonicContact NE-OE2 3.94Å; R44-E52 PolarHBondContact NE-OE2 3.46Å; R44-E52 IonicContact NH2-OE2 3.98Å; R44-E52 PolarHBondContact NH2-OE2 3.27Å; R44-E52 PolarHBondContact O-N 2.84Å; R44-E52 VanDerWaalsContact O-O 3.08Å; E52-W67 HydrophobicContact CB-CB 4.42Å; E52-W67 HydrophobicContact CB-CE3 3.96Å; E52-V68 CarbonylContact C-O 3.58Å; E52-V68 VanDerWaalsContact CA-O 3.31Å; E52-V68 WeakPolarHBondContact CA-O 3.34Å; E52-K167 IonicContact OE1-NZ 2.62Å; E52-K167 PolarHBondContact OE1-NZ 2.87Å
53	Y	93.5	Very high	87.7	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.6	179.7	-64.8	-90.2	0	0	0	109.6	L16 D17 I20 V40 E42 K51 W67 V68 I73	L16-Y53 HydrophobicContact CD2-CE1 4.21Å; D17-Y53 WeakPolarHBondContact CA-OH 3.31Å; D17-Y53 WeakPolarHBondContact CB-OH 3.4Å; D17-Y53 PolarHBondContact N-OH 3.46Å; I20-Y53 HydrophobicContact CB-CE1 3.91Å; I20-Y53 HydrophobicContact CB-CE2 4.41Å; I20-Y53 HydrophobicContact CD1-CD2 4.06Å; I20-Y53 HydrophobicContact CD1-CE2 3.53Å; I20-Y53 HydrophobicContact CG2-CD1 3.73Å; I20-Y53 HydrophobicContact CG2-CD2 4.47Å; I20-Y53 HydrophobicContact CG2-CE1 3.51Å; I20-Y53 HydrophobicContact CG2-CE2 4.33Å; I20-Y53 HydrophobicContact CG2-CG 4.19Å; V40-Y53 HydrophobicContact CG1-CD1 3.77Å; V40-Y53 HydrophobicContact CG1-CG 4.38Å; E42-Y53 CarbonylContact O-C 3.6Å; E42-Y53 WeakPolarHBondContact O-CA 3.42Å; K51-Y53 HydrophobicContact CB-CE2 4.24Å; Y53-W67 VanDerWaalsContact C-CE3 3.43Å; Y53-W67 CarbonylContact O-C 3.52Å; Y53-W67 WeakPolarHBondContact O-CA 3.29Å; Y53-V68 PolarHBondContact N-O 3.47Å; Y53-V68 PolarHBondContact O-N 2.89Å; Y53-I73 HydrophobicContact CD2-CD1 3.84Å; Y53-I73 HydrophobicContact CG-CD1 3.91Å
54	Y	93.7	Very high	87.6	Confident	3 Å²	3	38.3 Å²	38.3	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.9	172.8	-166.9	-100.6	0	0	0	108.6	I41 E42 D65 E66 W67 R137 V138 K139	I41-Y54 HydrophobicContact CB-CD1 3.9Å; I41-Y54 WeakPolarHBondContact CB-O 3.22Å; I41-Y54 HydrophobicContact CD1-CD1 3.9Å; I41-Y54 HydrophobicContact CD1-CE1 4.05Å; I41-Y54 HydrophobicContact CG1-CD1 4.4Å; I41-Y54 HydrophobicContact CG2-CD1 3.79Å; I41-Y54 PolarHBondContact N-O 3.15Å; E42-Y54 PolarHBondContact O-N 3.45Å; Y54-D65 HydrophobicContact CE1-CB 3.76Å; Y54-D65 HydrophobicContact CE2-CB 4.2Å; Y54-D65 VanDerWaalsContact CZ-CB 3.44Å; Y54-D65 WeakPolarHBondContact OH-CB 3.45Å; Y54-E66 WeakPolarHBondContact CA-O 3.46Å; Y54-W67 AromaticContact CD2-CD1 3.69Å; Y54-W67 AromaticContact CD2-CD2 3.98Å; Y54-W67 HydrophobicContact CD2-CD2 3.98Å; Y54-W67 AromaticContact CD2-CE2 3.68Å; Y54-W67 HydrophobicContact CD2-CG 4.02Å; Y54-W67 HydrophobicContact CD2-CZ2 4.26Å; Y54-W67 AromaticContact CD2-NE1 3.48Å; Y54-W67 HydrophobicContact CG-CD2 4.45Å; Y54-W67 HydrophobicContact CG-CZ2 4.4Å; Y54-R137 VanDerWaalsContact CE1-O 3.28Å; Y54-R137 WeakPolarHBondContact CE1-O 3.49Å; Y54-V138 HydrophobicContact CD1-CB 4.47Å; Y54-V138 HydrophobicContact CD1-CG1 4.37Å; Y54-V138 HydrophobicContact CD1-CG2 4.19Å; Y54-V138 HydrophobicContact CD2-CG1 4.34Å; Y54-V138 HydrophobicContact CG-CG1 4.08Å; Y54-K139 HydrophobicContact CE2-CD 4.45Å; Y54-K139 HydrophobicContact CE2-CG 3.6Å
55	V	93.2	Very high	87.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.2	-175.7	-60.8	0	0	0	0	111.3	V28 A38 A39 V40 Y57 D65 E66 V68	V28-V55 HydrophobicContact CG1-CG2 4.39Å; V28-V55 HydrophobicContact CG2-CG1 4.33Å; A38-V55 HydrophobicContact CB-CB 4.03Å; A38-V55 HydrophobicContact CB-CG2 4.46Å; A39-V55 WeakPolarHBondContact O-CA 3.27Å; V40-V55 HydrophobicContact CG2-CG1 4.23Å; V55-Y57 HydrophobicContact CG2-CE2 4.2Å; V55-D65 VanDerWaalsContact O-CA 3.3Å; V55-D65 WeakPolarHBondContact O-CA 3.48Å; V55-D65 WeakPolarHBondContact O-CB 3.15Å; V55-E66 HydrophobicContact CG2-CG 4.29Å; V55-E66 PolarHBondContact N-O 2.74Å; V55-E66 PolarHBondContact O-N 3.07Å; V55-V68 HydrophobicContact CG1-CG2 3.71Å; V55-V68 HydrophobicContact CG2-CG1 3.79Å; V55-V68 HydrophobicContact CG2-CG2 4.12Å
56	H	91.9	Very high	88.1	Confident	17 Å²	17	35.8 Å²	35.8	8%	0.079	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.5	169.1	170.9	67.1	0	0	0	110.1	A38 A39 I41 C58 H60 D65	A38-H56 CarbonylContact C-O 3.51Å; A38-H56 WeakPolarHBondContact CA-O 3.43Å; A38-H56 WeakPolarHBondContact CB-O 3.49Å; A39-H56 PolarHBondContact N-O 2.89Å; A39-H56 PolarHBondContact O-N 2.9Å; I41-H56 HydrophobicContact CD1-CB 3.31Å; I41-H56 HydrophobicContact CG1-CB 4.17Å; H56-C58 PolarHBondContact O-N 2.76Å; H56-H60 PolarHBondContact CE1-O 2.95Å; H56-D65 WeakPolarHBondContact CA-OD1 3.44Å; H56-D65 IonicContact CE1-OD1 2.62Å; H56-D65 IonicContact CG-OD1 3.85Å; H56-D65 IonicContact CG-OD2 3.2Å; H56-D65 IonicContact ND1-OD1 2.75Å; H56-D65 PolarHBondContact ND1-OD1 2.82Å; H56-D65 IonicContact ND1-OD2 3.93Å; H56-D65 PolarHBondContact ND1-OD2 3.14Å
57	Y	91.4	Very high	88.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.9	-179.7	-64.7	-78.8	0	0	0	110.3	V28 R30 A38 V55 N59 H60 L64 E66 R72	V28-Y57 HydrophobicContact CB-CE1 4.08Å; V28-Y57 HydrophobicContact CG1-CE1 4.18Å; R30-Y57 HydrophobicContact CG-CD1 4.44Å; R30-Y57 HydrophobicContact CG-CE1 3.56Å; R30-Y57 HydrophobicContact CG-CE2 4.48Å; R30-Y57 WeakPolarHBondContact CG-OH 3.33Å; A38-Y57 HydrophobicContact CB-CD1 3.72Å; A38-Y57 HydrophobicContact CB-CE1 4.05Å; A38-Y57 HydrophobicContact CB-CG 4.3Å; V55-Y57 HydrophobicContact CG2-CE2 4.2Å; Y57-N59 PolarHBondContact O-N 3.1Å; Y57-H60 WeakPolarHBondContact O-CB 3.33Å; Y57-H60 PolarHBondContact O-N 3.36Å; Y57-H60 VanDerWaalsContact O-N 3.12Å; Y57-L64 HydrophobicContact CD2-CB 4.23Å; Y57-L64 VanDerWaalsContact CE2-O 3.3Å; Y57-L64 WeakPolarHBondContact CE2-O 3.46Å; Y57-E66 HydrophobicContact CE2-CG 4.09Å; Y57-E66 PolarHBondContact OH-OE1 2.79Å; Y57-R72 PolarHBondContact OH-NH2 3.22Å
58	C	88.3	Confident	89.3	Confident	2 Å²	2	31 Å²	31	1%	0.014	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	136.1	-175.6	-63.1	0	0	0	0	111.2	P37 H56 H60 C83	P37-C58 HydrophobicContact CB-CB 4.44Å; P37-C58 HydrophobicContact CG-CB 4.36Å; P37-C58 PolarHBondContact O-N 2.95Å; H56-C58 PolarHBondContact O-N 2.76Å; C58-H60 PolarHBondContact O-N 3.48Å; C58-H60 PolarHBondContact O-ND1 3.08Å; C58-C83 WeakPolarHBondContact CA-SG 3.48Å; C58-C83 HydrophobicContact CB-CB 4.23Å; C58-C83 WeakPolarHBondContact CB-SG 3.42Å; C58-C83 WeakPolarHBondContact SG-CB 3.3Å; C58-C83 CovalentContact SG-SG 2.05Å; C58-C83 PolarHBondContact SG-SG 3.43Å
59	N	84.7	Confident	89.8	Confident	63 Å²	63	26.9 Å²	26.9	34%	0.337	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	25	-176.2	-47.4	-53.4	0	0	0	114.6	Y57 T91	Y57-N59 PolarHBondContact O-N 3.1Å; N59-T91 PolarHBondContact O-OG1 3.3Å
60	H	84.5	Confident	90	Very high	19 Å²	19	26.3 Å²	26.3	9%	0.088	13%	0.132	C	C	.	.	S	Bend	trans	-124.3	159	175.8	-66.2	75.1	0	0	0	110.9	Y36 H56 Y57 C58 L64 T91	Y36-H60 AromaticContact CD1-CE1 3.81Å; Y36-H60 AromaticContact CD1-NE2 3.93Å; Y36-H60 AromaticContact CE1-NE2 3.88Å; H56-H60 PolarHBondContact CE1-O 2.95Å; Y57-H60 WeakPolarHBondContact O-CB 3.33Å; Y57-H60 PolarHBondContact O-N 3.36Å; Y57-H60 VanDerWaalsContact O-N 3.12Å; C58-H60 PolarHBondContact O-N 3.48Å; C58-H60 PolarHBondContact O-ND1 3.08Å; H60-L64 HydrophobicContact CB-CD1 4.14Å; H60-T91 PolarHBondContact CD2-O 2.99Å; H60-T91 PolarHBondContact CE1-OG1 2.83Å; H60-T91 PolarHBondContact NE2-OG1 3.06Å
61	D	85.3	Confident	90.1	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.134	15%	0.15	C	C	.	.			trans	-67.3	137.6	177.9	-173.3	-58.2	0	0	0	110.7	R63 L64 Y155	D61-R63 HydrophobicContact CB-CG 4.11Å; D61-R63 PolarHBondContact O-N 3.08Å; D61-R63 WeakPolarHBondContact OD1-CB 3.35Å; D61-R63 VanDerWaalsContact OD1-CG 3.25Å; D61-R63 WeakPolarHBondContact OD1-CG 3.26Å; D61-R63 IonicContact OD1-CZ 2.99Å; D61-R63 PolarHBondContact OD1-N 3.44Å; D61-R63 IonicContact OD1-NE 3.47Å; D61-R63 PolarHBondContact OD1-NE 2.84Å; D61-R63 IonicContact OD1-NH2 2.69Å; D61-R63 IonicContact OD2-CZ 3.47Å; D61-R63 IonicContact OD2-NE 2.96Å; D61-R63 PolarHBondContact OD2-NE 2.86Å; D61-R63 VanDerWaalsContact OD2-NE 3.07Å; D61-R63 IonicContact OD2-NH2 3.83Å; D61-R63 PolarHBondContact OD2-NH2 2.99Å; D61-L64 WeakPolarHBondContact O-CB 3.42Å; D61-L64 PolarHBondContact O-N 3.4Å; D61-Y155 PolarHBondContact OD1-OH 2.79Å
62	R	86.4	Confident	90.2	Very high	37 Å²	37	30.3 Å²	30.3	14%	0.14	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-56.7	-19.5	-179.5	-67.2	-174.8	64.2	-157.2	-8.6	114.3	L64 D65 T136 R137 Y155 D235	R62-L64 PolarHBondContact O-N 2.9Å; R62-L64 VanDerWaalsContact O-N 3.12Å; R62-D65 IonicContact NE-OD2 2.67Å; R62-D65 VanDerWaalsContact O-CB 3.22Å; R62-D65 WeakPolarHBondContact O-CB 3.47Å; R62-D65 PolarHBondContact O-N 2.81Å; R62-T136 PolarHBondContact NH2-O 3.46Å; R62-R137 PolarHBondContact NH2-O 3.16Å; R62-R137 VanDerWaalsContact NH2-O 3.09Å; R62-Y155 HydrophobicContact CB-CE1 4.29Å; R62-D235 IonicContact NH1-OD1 3.67Å
63	R	88.3	Confident	90.2	Very high	32 Å²	32	30.3 Å²	30.3	12%	0.121	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-60.5	-18.3	172.3	75.4	-172.8	63.2	180	-2.4	113.7	D61 Y93 W154 Y155 D318	D61-R63 HydrophobicContact CB-CG 4.11Å; D61-R63 PolarHBondContact O-N 3.08Å; D61-R63 WeakPolarHBondContact OD1-CB 3.35Å; D61-R63 VanDerWaalsContact OD1-CG 3.25Å; D61-R63 WeakPolarHBondContact OD1-CG 3.26Å; D61-R63 IonicContact OD1-CZ 2.99Å; D61-R63 PolarHBondContact OD1-N 3.44Å; D61-R63 IonicContact OD1-NE 3.47Å; D61-R63 PolarHBondContact OD1-NE 2.84Å; D61-R63 IonicContact OD1-NH2 2.69Å; D61-R63 IonicContact OD2-CZ 3.47Å; D61-R63 IonicContact OD2-NE 2.96Å; D61-R63 PolarHBondContact OD2-NE 2.86Å; D61-R63 VanDerWaalsContact OD2-NE 3.07Å; D61-R63 IonicContact OD2-NH2 3.83Å; D61-R63 PolarHBondContact OD2-NH2 2.99Å; R63-Y93 PolarHBondContact NH1-OH 2.68Å; R63-W154 HydrophobicContact CB-CB 3.95Å; R63-W154 HydrophobicContact CB-CG 4.14Å; R63-Y155 HydrophobicContact CB-CE1 4.26Å; R63-D318 IonicContact CZ-OD1 3.42Å; R63-D318 IonicContact CZ-OD2 2.93Å; R63-D318 IonicContact NH1-OD1 3.08Å; R63-D318 IonicContact NH1-OD2 2.69Å; R63-D318 PolarHBondContact NH1-OD2 2.85Å; R63-D318 IonicContact NH2-OD1 2.92Å; R63-D318 PolarHBondContact NH2-OD1 2.82Å; R63-D318 IonicContact NH2-OD2 2.8Å; R63-D318 PolarHBondContact NH2-OD2 3.11Å
64	L	87.6	Confident	90	Very high	52 Å²	52	32.5 Å²	32.5	27%	0.272	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-89	-8.5	177.8	-62.5	-175.3	0	0	0	113	Y57 H60 D61 R62	Y57-L64 HydrophobicContact CD2-CB 4.23Å; Y57-L64 VanDerWaalsContact CE2-O 3.3Å; Y57-L64 WeakPolarHBondContact CE2-O 3.46Å; H60-L64 HydrophobicContact CB-CD1 4.14Å; D61-L64 WeakPolarHBondContact O-CB 3.42Å; D61-L64 PolarHBondContact O-N 3.4Å; R62-L64 PolarHBondContact O-N 2.9Å; R62-L64 VanDerWaalsContact O-N 3.12Å
65	D	91.5	Very high	89.5	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.011	17%	0.174	C	C	.	.			trans	-62.7	140	177.6	-60	-3.1	0	0	0	110	Y54 V55 H56 R62 K139	Y54-D65 HydrophobicContact CE1-CB 3.76Å; Y54-D65 HydrophobicContact CE2-CB 4.2Å; Y54-D65 VanDerWaalsContact CZ-CB 3.44Å; Y54-D65 WeakPolarHBondContact OH-CB 3.45Å; V55-D65 VanDerWaalsContact O-CA 3.3Å; V55-D65 WeakPolarHBondContact O-CA 3.48Å; V55-D65 WeakPolarHBondContact O-CB 3.15Å; H56-D65 WeakPolarHBondContact CA-OD1 3.44Å; H56-D65 IonicContact CE1-OD1 2.62Å; H56-D65 IonicContact CG-OD1 3.85Å; H56-D65 IonicContact CG-OD2 3.2Å; H56-D65 IonicContact ND1-OD1 2.75Å; H56-D65 PolarHBondContact ND1-OD1 2.82Å; H56-D65 IonicContact ND1-OD2 3.93Å; H56-D65 PolarHBondContact ND1-OD2 3.14Å; R62-D65 IonicContact NE-OD2 2.67Å; R62-D65 VanDerWaalsContact O-CB 3.22Å; R62-D65 WeakPolarHBondContact O-CB 3.47Å; R62-D65 PolarHBondContact O-N 2.81Å; D65-K139 WeakPolarHBondContact O-CE 3.44Å; D65-K139 PolarHBondContact O-NZ 2.84Å
66	E	93.5	Very high	88.8	Confident	45 Å²	45	39 Å²	39	21%	0.21	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161	-173	61.7	176.3	135.9	0	0	111.3	Y54 V55 Y57 V68 R72	Y54-E66 WeakPolarHBondContact CA-O 3.46Å; V55-E66 HydrophobicContact CG2-CG 4.29Å; V55-E66 PolarHBondContact N-O 2.74Å; V55-E66 PolarHBondContact O-N 3.07Å; Y57-E66 HydrophobicContact CE2-CG 4.09Å; Y57-E66 PolarHBondContact OH-OE1 2.79Å; E66-V68 HydrophobicContact CG-CG1 3.71Å; E66-R72 VanDerWaalsContact CD-NH2 3.32Å; E66-R72 IonicContact OE1-CZ 3.19Å; E66-R72 IonicContact OE1-NH1 3.79Å; E66-R72 IonicContact OE1-NH2 3.01Å; E66-R72 PolarHBondContact OE1-NH2 2.83Å; E66-R72 IonicContact OE2-CZ 3.8Å; E66-R72 IonicContact OE2-NH1 3.47Å; E66-R72 PolarHBondContact OE2-NH1 3.44Å; E66-R72 IonicContact OE2-NH2 3.23Å; E66-R72 PolarHBondContact OE2-NH2 2.8Å
67	W	92.3	Very high	87.9	Confident	17 Å²	17	43.4 Å²	43.4	6%	0.064	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.5	165	-69	91.2	0	0	0	109.8	E42 R44 E52 Y53 Y54 V138 K139 F140	E42-W67 HydrophobicContact CB-CH2 4.12Å; E42-W67 HydrophobicContact CG-CH2 3.99Å; R44-W67 HydrophobicContact CB-CH2 3.92Å; R44-W67 HydrophobicContact CB-CZ3 3.76Å; R44-W67 HydrophobicContact CG-CD2 4.35Å; R44-W67 HydrophobicContact CG-CE3 3.68Å; R44-W67 HydrophobicContact CG-CH2 3.84Å; R44-W67 HydrophobicContact CG-CZ2 4.46Å; R44-W67 HydrophobicContact CG-CZ3 3.41Å; R44-W67 VanDerWaalsContact CG-CZ3 3.41Å; E52-W67 HydrophobicContact CB-CB 4.42Å; E52-W67 HydrophobicContact CB-CE3 3.96Å; Y53-W67 VanDerWaalsContact C-CE3 3.43Å; Y53-W67 CarbonylContact O-C 3.52Å; Y53-W67 WeakPolarHBondContact O-CA 3.29Å; Y54-W67 AromaticContact CD2-CD1 3.69Å; Y54-W67 AromaticContact CD2-CD2 3.98Å; Y54-W67 HydrophobicContact CD2-CD2 3.98Å; Y54-W67 AromaticContact CD2-CE2 3.68Å; Y54-W67 HydrophobicContact CD2-CG 4.02Å; Y54-W67 HydrophobicContact CD2-CZ2 4.26Å; Y54-W67 AromaticContact CD2-NE1 3.48Å; Y54-W67 HydrophobicContact CG-CD2 4.45Å; Y54-W67 HydrophobicContact CG-CZ2 4.4Å; W67-V138 HydrophobicContact CH2-CG1 4.11Å; W67-V138 HydrophobicContact CZ2-CG1 3.45Å; W67-V138 VanDerWaalsContact CZ2-CG1 3.45Å; W67-K139 PolarHBondContact NE1-O 3.5Å; W67-F140 HydrophobicContact CH2-CE1 4.4Å; W67-F140 AromaticContact CZ2-CD1 4Å; W67-F140 HydrophobicContact CZ2-CD1 4Å; W67-F140 AromaticContact CZ2-CE1 3.95Å; W67-F140 HydrophobicContact CZ2-CE1 3.95Å
68	V	92.8	Very high	86.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.4	177.7	-55	0	0	0	0	110.7	V28 E52 Y53 V55 E66 R72 I73	V28-V68 HydrophobicContact CG1-CB 4.45Å; V28-V68 HydrophobicContact CG1-CG1 4.08Å; V28-V68 HydrophobicContact CG1-CG2 4.11Å; E52-V68 CarbonylContact C-O 3.58Å; E52-V68 VanDerWaalsContact CA-O 3.31Å; E52-V68 WeakPolarHBondContact CA-O 3.34Å; Y53-V68 PolarHBondContact N-O 3.47Å; Y53-V68 PolarHBondContact O-N 2.89Å; V55-V68 HydrophobicContact CG1-CG2 3.71Å; V55-V68 HydrophobicContact CG2-CG1 3.79Å; V55-V68 HydrophobicContact CG2-CG2 4.12Å; E66-V68 HydrophobicContact CG-CG1 3.71Å; V68-R72 HydrophobicContact CB-CB 4.16Å; V68-R72 VanDerWaalsContact CG1-CZ 3.42Å; V68-I73 HydrophobicContact CG2-CD1 3.79Å; V68-I73 HydrophobicContact CG2-CG1 3.79Å
69	T	92.3	Very high	86	Confident	50 Å²	50	50.1 Å²	50.1	31%	0.307	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	156.7	171.7	53.1	0	0	0	0	110.7	E71 R72	T69-E71 PolarHBondContact O-N 3.26Å; T69-E71 VanDerWaalsContact O-N 3.14Å; T69-R72 PolarHBondContact O-N 3.01Å
70	S	88.8	Confident	85.2	Confident	34 Å²	34	54.5 Å²	54.5	24%	0.238	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-53.5	-34.3	177.5	55.3	0	0	0	0	113.1	K51 R72 I73	K51-S70 PolarHBondContact O-N 2.77Å; S70-R72 PolarHBondContact O-N 2.99Å; S70-I73 PolarHBondContact O-N 2.9Å
71	E	89.6	Confident	84.3	Confident	174 Å²	174	56.8 Å²	56.8	81%	0.813	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.2	-24.9	178.6	-57.8	175.8	-168.6	0	0	114.1	T69 I73	T69-E71 PolarHBondContact O-N 3.26Å; T69-E71 VanDerWaalsContact O-N 3.14Å; E71-I73 VanDerWaalsContact C-N 3.32Å
72	R	92.3	Very high	83	Confident	52 Å²	52	60.1 Å²	60.1	20%	0.196	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-82.5	-11.6	177.8	-70.3	177.7	60.9	-171.8	-6.3	112.7	V28 L29 Y57 E66 V68 T69 S70	V28-R72 WeakPolarHBondContact CA-O 3.46Å; V28-R72 HydrophobicContact CG1-CB 4.46Å; L29-R72 HydrophobicContact CB-CB 4.4Å; L29-R72 PolarHBondContact N-O 3.46Å; L29-R72 VanDerWaalsContact O-CZ 3.23Å; L29-R72 PolarHBondContact O-NE 3.47Å; L29-R72 PolarHBondContact O-NH2 3.33Å; Y57-R72 PolarHBondContact OH-NH2 3.22Å; E66-R72 VanDerWaalsContact CD-NH2 3.32Å; E66-R72 IonicContact OE1-CZ 3.19Å; E66-R72 IonicContact OE1-NH1 3.79Å; E66-R72 IonicContact OE1-NH2 3.01Å; E66-R72 PolarHBondContact OE1-NH2 2.83Å; E66-R72 IonicContact OE2-CZ 3.8Å; E66-R72 IonicContact OE2-NH1 3.47Å; E66-R72 PolarHBondContact OE2-NH1 3.44Å; E66-R72 IonicContact OE2-NH2 3.23Å; E66-R72 PolarHBondContact OE2-NH2 2.8Å; V68-R72 HydrophobicContact CB-CB 4.16Å; V68-R72 VanDerWaalsContact CG1-CZ 3.42Å; T69-R72 PolarHBondContact O-N 3.01Å; S70-R72 PolarHBondContact O-N 2.99Å
73	I	91.7	Very high	81.4	Confident	10 Å²	10	60 Å²	60	5%	0.051	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114	-176.3	-57.8	178.2	0	0	0	108.9	I20 Y26 V28 V40 Y53 V68 S70 E71 C75	I20-I73 HydrophobicContact CD1-CB 4.21Å; I20-I73 HydrophobicContact CD1-CD1 4.02Å; I20-I73 HydrophobicContact CD1-CG2 4.36Å; I20-I73 HydrophobicContact CG1-CG2 4.36Å; I20-I73 HydrophobicContact CG2-CD1 4.23Å; Y26-I73 HydrophobicContact CD1-CG2 4.11Å; Y26-I73 HydrophobicContact CD2-CG2 4.32Å; Y26-I73 HydrophobicContact CG-CG2 3.78Å; V28-I73 HydrophobicContact CG2-CG1 4.16Å; V40-I73 HydrophobicContact CG2-CD1 4.32Å; Y53-I73 HydrophobicContact CD2-CD1 3.84Å; Y53-I73 HydrophobicContact CG-CD1 3.91Å; V68-I73 HydrophobicContact CG2-CD1 3.79Å; V68-I73 HydrophobicContact CG2-CG1 3.79Å; S70-I73 PolarHBondContact O-N 2.9Å; E71-I73 VanDerWaalsContact C-N 3.32Å; I73-C75 PolarHBondContact O-N 2.87Å
74	D	89.3	Confident	79.6	Confident	48 Å²	48	65.1 Å²	65.1	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.2	173.4	-179.7	5.8	0	0	0	109.9	K27 Y35 S76	K27-D74 HydrophobicContact CB-CB 4.13Å; K27-D74 WeakPolarHBondContact O-CB 3.37Å; K27-D74 PolarHBondContact O-N 3.12Å; Y35-D74 HydrophobicContact CD1-CB 4.45Å; Y35-D74 HydrophobicContact CE1-CB 4.05Å; D74-S76 VanDerWaalsContact CG-OG 3.28Å; D74-S76 WeakPolarHBondContact OD1-CB 3.35Å; D74-S76 PolarHBondContact OD1-N 2.87Å; D74-S76 PolarHBondContact OD1-OG 2.87Å; D74-S76 PolarHBondContact OD2-OG 3.4Å
75	C	84	Confident	77.6	Confident	48 Å²	48	68.6 Å²	68.6	32%	0.324	37%	0.37	S	S	.	.			trans	-88.4	0.7	179.7	-58.6	0	0	0	0	113.3	D19 I20 I73 E77	D19-C75 HydrophobicContact CB-CB 4.43Å; I20-C75 WeakPolarHBondContact CG1-SG 3.41Å; I73-C75 PolarHBondContact O-N 2.87Å; C75-E77 VanDerWaalsContact C-N 3.34Å; C75-E77 PolarHBondContact O-N 3.4Å
76	S	79.2	Confident	75.1	Confident	92 Å²	92	70.1 Å²	70.1	64%	0.643	38%	0.381	S	S	*	.	S	Bend	trans	-69	-29.8	-175.7	66.7	0	0	0	0	113.5	D74	D74-S76 VanDerWaalsContact CG-OG 3.28Å; D74-S76 WeakPolarHBondContact OD1-CB 3.35Å; D74-S76 PolarHBondContact OD1-N 2.87Å; D74-S76 PolarHBondContact OD1-OG 2.87Å; D74-S76 PolarHBondContact OD2-OG 3.4Å
77	E	71	Confident	72.4	Confident	108 Å²	108	72.1 Å²	72.1	51%	0.505	39%	0.393	S	S	.	.	S	Bend	trans	-135.9	114.5	-180	-70.7	-178.6	161.3	0	0	110.8	K27 C75	K27-E77 IonicContact NZ-OE2 3.45Å; K27-E77 PolarHBondContact NZ-OE2 3.32Å; C75-E77 VanDerWaalsContact C-N 3.34Å; C75-E77 PolarHBondContact O-N 3.4Å
78	K	67.9	Low	69.8	Low	105 Å²	105	73.4 Å²	73.4	46%	0.457	40%	0.401	S	S	.	.			trans	-75.9	128	168.8	-67.4	-169.9	179	-173	0	109.7	Y26	Y26-K78 HydrophobicContact CE1-CG 4.16Å
79	L	73.4	Confident	67	Low	39 Å²	39	78 Å²	78	20%	0.204	42%	0.423	C	S	.	.			trans	-95.4	120.7	-178.4	-71	170	0	0	0	110.5	V25 K27 P37 I81	V25-L79 HydrophobicContact CB-CB 4.34Å; V25-L79 HydrophobicContact CG1-CB 4.12Å; V25-L79 HydrophobicContact CG1-CD1 4.42Å; V25-L79 PolarHBondContact O-N 3.47Å; V25-L79 VanDerWaalsContact O-N 3.12Å; K27-L79 HydrophobicContact CG-CD1 3.7Å; P37-L79 HydrophobicContact CB-CD1 4Å; L79-I81 HydrophobicContact CB-CD1 4.2Å; L79-I81 HydrophobicContact CB-CG1 4.19Å; L79-I81 HydrophobicContact CD1-CD1 4.02Å; L79-I81 HydrophobicContact CD2-CD1 4.38Å; L79-I81 HydrophobicContact CG-CD1 4.46Å; L79-I81 PolarHBondContact O-N 3.45Å
80	T	66.4	Low	64.2	Low	155 Å²	155	78.8 Å²	78.8	95%	0.951	42%	0.424	S	S	*	.			trans	-82.4	61.3	165.1	22.9	0	0	0	0	110.2
81	I	67.4	Low	61.5	Low	66 Å²	66	79.9 Å²	79.9	34%	0.338	43%	0.43	S	S	.	.			trans	-96.3	124.3	168.9	-64.5	171.9	0	0	0	107	P37 L79 C83	P37-I81 HydrophobicContact CB-CD1 3.79Å; P37-I81 HydrophobicContact CG-CD1 4.31Å; L79-I81 HydrophobicContact CB-CD1 4.2Å; L79-I81 HydrophobicContact CB-CG1 4.19Å; L79-I81 HydrophobicContact CD1-CD1 4.02Å; L79-I81 HydrophobicContact CD2-CD1 4.38Å; L79-I81 HydrophobicContact CG-CD1 4.46Å; L79-I81 PolarHBondContact O-N 3.45Å; I81-C83 VanDerWaalsContact C-N 3.29Å; I81-C83 PolarHBondContact O-N 2.83Å
82	S	57	Low	58.6	Low	96 Å²	96	77 Å²	77	67%	0.671	42%	0.42	S	S	*	.			trans	-66.2	95.4	164.1	48.5	0	0	0	0	107.6	E84	S82-E84 PolarHBondContact O-N 3.36Å
83	C	53	Low	55.5	Low	33 Å²	33	81.4 Å²	81.4	22%	0.223	44%	0.438	C	S	.	.			trans	-72.2	66.3	166.9	-144.9	0	0	0	0	106.3	V25 C58 I81 L85	V25-C83 HydrophobicContact CG2-CB 4.25Å; C58-C83 WeakPolarHBondContact CA-SG 3.48Å; C58-C83 HydrophobicContact CB-CB 4.23Å; C58-C83 WeakPolarHBondContact CB-SG 3.42Å; C58-C83 WeakPolarHBondContact SG-CB 3.3Å; C58-C83 CovalentContact SG-SG 2.05Å; C58-C83 PolarHBondContact SG-SG 3.43Å; I81-C83 VanDerWaalsContact C-N 3.29Å; I81-C83 PolarHBondContact O-N 2.83Å; C83-L85 PolarHBondContact O-N 3.01Å
84	E	50.6	Low	52.7	Low	141 Å²	141	84 Å²	84	66%	0.659	46%	0.461	S	S	*	.			trans	-58.7	126.9	166.9	-76.6	-175.1	169.4	0	0	105.5	S82 S86	S82-E84 PolarHBondContact O-N 3.36Å; E84-S86 PolarHBondContact O-N 2.74Å; E84-S86 PolarHBondContact O-OG 3.27Å
85	L	45.7	Very low	49.8	Very low	124 Å²	124	84.2 Å²	84.2	65%	0.649	48%	0.475	S	S	*	.			trans	-61.1	67.3	168.2	-73.7	159.1	0	0	0	108.1	C83 L87	C83-L85 PolarHBondContact O-N 3.01Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 2.67Å
86	S	37.9	Very low	47.2	Very low	34 Å²	34	89.9 Å²	89.9	24%	0.238	50%	0.496	C	S	.	.			trans	-80	95.2	-177.7	7.9	0	0	0	0	105.3	E84 N88	E84-S86 PolarHBondContact O-N 2.74Å; E84-S86 PolarHBondContact O-OG 3.27Å; S86-N88 PolarHBondContact O-N 3.47Å
87	L	37.6	Very low	45	Very low	87 Å²	87	92.9 Å²	92.9	46%	0.455	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-26.9	103.9	173.1	-169.7	69.3	0	0	0	111.1	L85 Q89	L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 2.67Å; L87-Q89 PolarHBondContact O-N 3.47Å
88	N	37.3	Very low	43.4	Very low	45 Å²	45	90.1 Å²	90.1	24%	0.241	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	47.5	164.1	-60.1	-30.1	0	0	0	116.3	S86 L90 L115	S86-N88 PolarHBondContact O-N 3.47Å; N88-L90 PolarHBondContact O-N 3.15Å; N88-L90 VanDerWaalsContact O-N 3.12Å; N88-L115 HydrophobicContact CB-CD1 4.36Å
89	Q	34.1	Very low	41.8	Very low	98 Å²	98	96.4 Å²	96.4	46%	0.458	52%	0.516	S	S	.	.			trans	-71.6	103.5	161	-67.3	-169	25.6	0	0	109.3	L87 T91	L87-Q89 PolarHBondContact O-N 3.47Å; Q89-T91 PolarHBondContact O-N 3.4Å
90	L	34.4	Very low	40.1	Very low	65 Å²	65	98.5 Å²	98.5	34%	0.34	53%	0.527	S	S	.	.			trans	-60.9	97.1	173.1	-81.1	147.9	0	0	0	110.1	N88 Y93 L108	N88-L90 PolarHBondContact O-N 3.15Å; N88-L90 VanDerWaalsContact O-N 3.12Å; L90-Y93 HydrophobicContact CD2-CD2 4.32Å; L90-Y93 HydrophobicContact CD2-CE2 3.94Å; L90-L108 HydrophobicContact CD1-CD2 4.01Å; L90-L108 HydrophobicContact CD2-CD2 4.48Å
91	T	31.2	Very low	39	Very low	58 Å²	58	94.9 Å²	94.9	36%	0.356	51%	0.505	S	S	.	.			trans	-118.2	133.7	161.7	62.3	0	0	0	0	111.3	N59 H60 Q89	N59-T91 PolarHBondContact O-OG1 3.3Å; H60-T91 PolarHBondContact CD2-O 2.99Å; H60-T91 PolarHBondContact CE1-OG1 2.83Å; H60-T91 PolarHBondContact NE2-OG1 3.06Å; Q89-T91 PolarHBondContact O-N 3.4Å
92	D	29.3	Very low	37.9	Very low	114 Å²	114	102.7 Å²	102.7	61%	0.61	53%	0.53	S	S	*	.			trans	49.8	73.9	167.6	-64.1	-11	0	0	0	118.6
93	Y	27.3	Very low	37	Very low	143 Å²	143	103 Å²	103	56%	0.561	52%	0.524	S	S	*	.			trans	-62.4	131.1	146.7	-92.7	-89.7	0	0	0	110.5	R63 L90	R63-Y93 PolarHBondContact NH1-OH 2.68Å; L90-Y93 HydrophobicContact CD2-CD2 4.32Å; L90-Y93 HydrophobicContact CD2-CE2 3.94Å
94	A	32.6	Very low	36.5	Very low	66 Å²	66	105.4 Å²	105.4	55%	0.545	53%	0.532	S	S	.	.			trans	73.8	100.4	165.9	0	0	0	0	0	115.5	H96	A94-H96 PolarHBondContact O-N 3.26Å
95	G	28.5	Very low	36.3	Very low	52 Å²	52	104.5 Å²	104.5	54%	0.536	53%	0.526	S	S	.	.	S	Bend	trans	-44.2	142.1	148.4	0	0	0	0	0	110.4
96	H	30.1	Very low	36.6	Very low	166 Å²	166	104.2 Å²	104.2	77%	0.769	52%	0.516	S	S	*	.	S	Bend	trans	70.6	81.6	-178.1	-119.8	-60.7	0	0	0	115.5	A94 V98	A94-H96 PolarHBondContact O-N 3.26Å; H96-V98 WeakPolarHBondContact O-CG2 3.48Å; H96-V98 PolarHBondContact O-N 3.44Å
97	D	32.4	Very low	37.1	Very low	155 Å²	155	105.7 Å²	105.7	83%	0.829	52%	0.518	S	S	*	.			trans	50.2	27.7	138.7	-120.6	-8.6	0	0	0	118.2	R99	D97-R99 VanDerWaalsContact C-N 3.32Å; D97-R99 PolarHBondContact O-N 3.26Å; D97-R99 VanDerWaalsContact O-N 3.09Å
98	V	37.5	Very low	37.7	Very low	51 Å²	51	104 Å²	104	31%	0.309	51%	0.509	S	S	.	.			trans	-84.9	84.3	168.8	-170	0	0	0	0	107.8	H96 L100 P401	H96-V98 WeakPolarHBondContact O-CG2 3.48Å; H96-V98 PolarHBondContact O-N 3.44Å; V98-L100 PolarHBondContact O-N 3.04Å; V98-P401 HydrophobicContact CG1-CG 4.49Å
99	R	33.4	Very low	38.5	Very low	236 Å²	236	106.3 Å²	106.3	89%	0.891	52%	0.519	S	S	*	.			trans	-54.3	96.5	173.6	-156.1	175.7	-175.5	-178.6	2.6	109.5	D97 T101	D97-R99 VanDerWaalsContact C-N 3.32Å; D97-R99 PolarHBondContact O-N 3.26Å; D97-R99 VanDerWaalsContact O-N 3.09Å; R99-T101 PolarHBondContact O-N 2.79Å
100	L	38.9	Very low	39.4	Very low	84 Å²	84	104.5 Å²	104.5	44%	0.44	51%	0.51	S	S	.	.			trans	-50.3	133.8	172.7	-71.7	166.8	0	0	0	108.3	V98 Q104	V98-L100 PolarHBondContact O-N 3.04Å; L100-Q104 HydrophobicContact CB-CB 4.44Å; L100-Q104 HydrophobicContact CD2-CB 4.29Å
101	T	42.6	Very low	40.1	Very low	79 Å²	79	102 Å²	102	49%	0.485	50%	0.498	S	S	.	.			trans	-64.1	147.1	175.3	59	0	0	0	0	108.7	R99 N103 Q104 K105	R99-T101 PolarHBondContact O-N 2.79Å; T101-N103 PolarHBondContact O-N 3.19Å; T101-Q104 WeakPolarHBondContact O-CB 3.5Å; T101-Q104 PolarHBondContact O-N 3.02Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.17Å; T101-K105 PolarHBondContact O-N 3.14Å
102	R	44.8	Very low	41	Very low	229 Å²	229	100.7 Å²	100.7	86%	0.864	49%	0.491	S	S	*	.	H	α-helix	trans	-49.3	-33.6	-176.5	-153.8	179.5	-152.8	176.8	5.4	113	R106	R102-R106 WeakPolarHBondContact O-CB 2.98Å; R102-R106 PolarHBondContact O-N 2.76Å
103	N	38.7	Very low	41.9	Very low	104 Å²	104	102.3 Å²	102.3	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-70.5	-33.6	176.9	-75	-3.8	0	0	0	113.9	T101 K107	T101-N103 PolarHBondContact O-N 3.19Å; N103-K107 WeakPolarHBondContact O-CG 3.43Å; N103-K107 PolarHBondContact O-N 3.2Å
104	Q	41.6	Very low	42.9	Very low	82 Å²	82	96.7 Å²	96.7	38%	0.383	47%	0.473	S	S	.	.	H	α-helix	trans	-71.3	-44	179.2	-71.5	171.6	-10.1	0	0	111.4	L100 T101 R106 K107 L108	L100-Q104 HydrophobicContact CB-CB 4.44Å; L100-Q104 HydrophobicContact CD2-CB 4.29Å; T101-Q104 WeakPolarHBondContact O-CB 3.5Å; T101-Q104 PolarHBondContact O-N 3.02Å; T101-Q104 WeakPolarHBondContact OG1-CG 3.17Å; Q104-R106 VanDerWaalsContact C-N 3.34Å; Q104-R106 PolarHBondContact O-N 2.8Å; Q104-K107 PolarHBondContact O-N 2.83Å; Q104-L108 PolarHBondContact O-N 3.27Å; Q104-L108 VanDerWaalsContact O-N 3.11Å
105	K	46.8	Very low	43.6	Very low	122 Å²	122	94.9 Å²	94.9	53%	0.53	45%	0.454	S	S	.	.	H	α-helix	trans	-61.4	-43.9	175.4	-174.6	167.1	177.8	166.9	0	111.1	T101 K107 L108 E109	T101-K105 PolarHBondContact O-N 3.14Å; K105-K107 PolarHBondContact O-N 3.26Å; K105-L108 PolarHBondContact O-N 3.23Å; K105-E109 WeakPolarHBondContact CE-OE1 3.33Å; K105-E109 HydrophobicContact CG-CG 4.46Å; K105-E109 WeakPolarHBondContact CG-OE1 3.41Å; K105-E109 WeakPolarHBondContact O-CG 3.31Å; K105-E109 PolarHBondContact O-N 3.13Å
106	R	50.8	Low	44.5	Very low	118 Å²	118	100.1 Å²	100.1	45%	0.445	47%	0.465	S	S	.	.	H	α-helix	trans	-61.1	-45.3	176.6	-158.4	-176	76	-165.4	-2.9	112.6	R102 Q104 L108 E109 E110	R102-R106 WeakPolarHBondContact O-CB 2.98Å; R102-R106 PolarHBondContact O-N 2.76Å; Q104-R106 VanDerWaalsContact C-N 3.34Å; Q104-R106 PolarHBondContact O-N 2.8Å; R106-L108 VanDerWaalsContact C-N 3.33Å; R106-L108 PolarHBondContact O-N 2.83Å; R106-E109 PolarHBondContact O-N 3.12Å; R106-E110 WeakPolarHBondContact CD-OE1 3.18Å; R106-E110 WeakPolarHBondContact CG-OE1 3.4Å; R106-E110 IonicContact NE-OE1 3.61Å; R106-E110 PolarHBondContact NE-OE1 2.96Å; R106-E110 VanDerWaalsContact NE-OE1 3.1Å; R106-E110 WeakPolarHBondContact O-CB 3.4Å; R106-E110 VanDerWaalsContact O-CG 3.25Å; R106-E110 WeakPolarHBondContact O-CG 3.26Å; R106-E110 PolarHBondContact O-N 2.94Å
107	K	50	Low	45	Very low	65 Å²	65	99.7 Å²	99.7	28%	0.283	46%	0.463	S	S	.	.	H	α-helix	trans	-58.8	-43.3	176.5	-79.7	-174.7	177.2	-168.5	0	111.8	N103 Q104 K105 T111	N103-K107 WeakPolarHBondContact O-CG 3.43Å; N103-K107 PolarHBondContact O-N 3.2Å; Q104-K107 PolarHBondContact O-N 2.83Å; K105-K107 PolarHBondContact O-N 3.26Å; K107-T111 PolarHBondContact O-N 2.73Å; K107-T111 VanDerWaalsContact O-N 3.12Å; K107-T111 PolarHBondContact O-OG1 3.41Å
108	L	49.2	Very low	45.4	Very low	51 Å²	51	96.5 Å²	96.5	27%	0.267	45%	0.453	S	S	.	.	H	α-helix	trans	-66.5	-48.1	179.2	-75.4	161.6	0	0	0	112	L90 Q104 K105 R106 E110 T111 S112	L90-L108 HydrophobicContact CD1-CD2 4.01Å; L90-L108 HydrophobicContact CD2-CD2 4.48Å; Q104-L108 PolarHBondContact O-N 3.27Å; Q104-L108 VanDerWaalsContact O-N 3.11Å; K105-L108 PolarHBondContact O-N 3.23Å; R106-L108 VanDerWaalsContact C-N 3.33Å; R106-L108 PolarHBondContact O-N 2.83Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-E110 PolarHBondContact O-N 2.56Å; L108-T111 WeakPolarHBondContact O-CA 3.49Å; L108-T111 WeakPolarHBondContact O-CB 3.42Å; L108-T111 PolarHBondContact O-N 2.75Å; L108-S112 PolarHBondContact O-N 3.13Å; L108-S112 PolarHBondContact O-OG 2.82Å
109	E	53.5	Low	45.8	Very low	95 Å²	95	99.3 Å²	99.3	44%	0.444	47%	0.466	S	S	.	.	H	α-helix	trans	-60.9	-40.3	178	-73.3	172.7	-178.3	0	0	112.4	K105 R106 T111 S112 K113	K105-E109 WeakPolarHBondContact CE-OE1 3.33Å; K105-E109 HydrophobicContact CG-CG 4.46Å; K105-E109 WeakPolarHBondContact CG-OE1 3.41Å; K105-E109 WeakPolarHBondContact O-CG 3.31Å; K105-E109 PolarHBondContact O-N 3.13Å; R106-E109 PolarHBondContact O-N 3.12Å; E109-T111 VanDerWaalsContact C-N 3.31Å; E109-T111 PolarHBondContact O-N 3.02Å; E109-S112 PolarHBondContact O-N 3.28Å; E109-K113 WeakPolarHBondContact O-CG 3.31Å; E109-K113 PolarHBondContact O-N 2.9Å
110	E	54.3	Low	46.7	Very low	59 Å²	59	93.6 Å²	93.6	28%	0.276	46%	0.462	S	S	.	.	H	α-helix	trans	-61.1	-41.1	173.1	-74.3	165.9	-171.6	0	0	110.9	R106 L108 S112 K113 V114	R106-E110 WeakPolarHBondContact CD-OE1 3.18Å; R106-E110 WeakPolarHBondContact CG-OE1 3.4Å; R106-E110 IonicContact NE-OE1 3.61Å; R106-E110 PolarHBondContact NE-OE1 2.96Å; R106-E110 VanDerWaalsContact NE-OE1 3.1Å; R106-E110 WeakPolarHBondContact O-CB 3.4Å; R106-E110 VanDerWaalsContact O-CG 3.25Å; R106-E110 WeakPolarHBondContact O-CG 3.26Å; R106-E110 PolarHBondContact O-N 2.94Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-E110 PolarHBondContact O-N 2.56Å; E110-S112 VanDerWaalsContact C-N 3.3Å; E110-S112 PolarHBondContact O-N 3.26Å; E110-K113 PolarHBondContact O-N 3.43Å; E110-V114 WeakPolarHBondContact O-CG2 3.37Å; E110-V114 PolarHBondContact O-N 3.42Å
111	T	48.1	Very low	47.5	Very low	13 Å²	13	93.4 Å²	93.4	8%	0.08	46%	0.461	C	S	.	.	H	α-helix	trans	-67.6	-31.6	177.7	-35.7	0	0	0	0	111.9	K107 L108 E109 R321	K107-T111 PolarHBondContact O-N 2.73Å; K107-T111 VanDerWaalsContact O-N 3.12Å; K107-T111 PolarHBondContact O-OG1 3.41Å; L108-T111 WeakPolarHBondContact O-CA 3.49Å; L108-T111 WeakPolarHBondContact O-CB 3.42Å; L108-T111 PolarHBondContact O-N 2.75Å; E109-T111 VanDerWaalsContact C-N 3.31Å; E109-T111 PolarHBondContact O-N 3.02Å; T111-R321 HydrophobicContact CG2-CB 4.29Å
112	S	51.1	Low	48.8	Very low	30 Å²	30	93.8 Å²	93.8	21%	0.21	46%	0.46	C	S	.	.	H	α-helix	trans	-74.2	-38.9	175.4	-70.2	0	0	0	0	113.3	L108 E109 E110 V114 L115	L108-S112 PolarHBondContact O-N 3.13Å; L108-S112 PolarHBondContact O-OG 2.82Å; E109-S112 PolarHBondContact O-N 3.28Å; E110-S112 VanDerWaalsContact C-N 3.3Å; E110-S112 PolarHBondContact O-N 3.26Å; S112-V114 PolarHBondContact O-N 2.89Å; S112-L115 VanDerWaalsContact O-CB 3.31Å; S112-L115 WeakPolarHBondContact O-CB 3.29Å; S112-L115 PolarHBondContact O-N 2.82Å; S112-L115 VanDerWaalsContact O-N 3.12Å
113	K	46.8	Very low	50.2	Low	148 Å²	148	87.4 Å²	87.4	64%	0.643	45%	0.451	S	S	*	.	H	α-helix	trans	-61.1	-33.9	178	-74.7	179.3	-178.8	-177.6	0	112.4	E109 E110 L115 Q116	E109-K113 WeakPolarHBondContact O-CG 3.31Å; E109-K113 PolarHBondContact O-N 2.9Å; E110-K113 PolarHBondContact O-N 3.43Å; K113-L115 PolarHBondContact O-N 3.34Å; K113-Q116 PolarHBondContact O-N 2.89Å
114	V	49.8	Very low	51.9	Low	25 Å²	25	86.8 Å²	86.8	15%	0.152	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-62.4	-28.9	176.9	173.8	0	0	0	0	112.8	E110 S112 Q116 E117 Y364	E110-V114 WeakPolarHBondContact O-CG2 3.37Å; E110-V114 PolarHBondContact O-N 3.42Å; S112-V114 PolarHBondContact O-N 2.89Å; V114-Q116 PolarHBondContact O-N 2.67Å; V114-E117 PolarHBondContact O-N 3.33Å; V114-Y364 HydrophobicContact CG1-CE2 4.49Å; V114-Y364 HydrophobicContact CG2-CD1 3.97Å; V114-Y364 HydrophobicContact CG2-CD2 4.36Å; V114-Y364 HydrophobicContact CG2-CE1 3.54Å; V114-Y364 HydrophobicContact CG2-CE2 4.01Å; V114-Y364 HydrophobicContact CG2-CG 4.37Å
115	L	46.5	Very low	53.4	Low	28 Å²	28	85.8 Å²	85.8	15%	0.147	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-61.8	-31.8	177.8	-78.7	161.7	0	0	0	113	N88 S112 K113 E117	N88-L115 HydrophobicContact CB-CD1 4.36Å; S112-L115 VanDerWaalsContact O-CB 3.31Å; S112-L115 WeakPolarHBondContact O-CB 3.29Å; S112-L115 PolarHBondContact O-N 2.82Å; S112-L115 VanDerWaalsContact O-N 3.12Å; K113-L115 PolarHBondContact O-N 3.34Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 PolarHBondContact O-N 3.46Å
116	Q	47.7	Very low	54.6	Low	162 Å²	162	84.6 Å²	84.6	76%	0.757	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-75.1	-16	-171.9	-68.5	-177	-14.3	0	0	113.1	K113 V114	K113-Q116 PolarHBondContact O-N 2.89Å; V114-Q116 PolarHBondContact O-N 2.67Å
117	E	41.2	Very low	55.8	Low	158 Å²	158	85.2 Å²	85.2	74%	0.738	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-97.2	-13	-172	-73.7	-178.6	165.6	0	0	114.6	V114 L115	V114-E117 PolarHBondContact O-N 3.33Å; L115-E117 VanDerWaalsContact C-N 3.27Å; L115-E117 PolarHBondContact O-N 3.46Å
118	S	40.6	Very low	56.9	Low	87 Å²	87	87 Å²	87	61%	0.608	47%	0.465	S	S	*	.			trans	-99.7	-2.8	-173.3	63.3	0	0	0	0	116.7	S120	S118-S120 PolarHBondContact O-N 2.98Å; S118-S120 VanDerWaalsContact O-N 3.1Å
119	D	45.6	Very low	58.1	Low	110 Å²	110	87.4 Å²	87.4	59%	0.588	47%	0.465	S	S	*	.			trans	-87.9	75.7	-176.1	-84.4	-13.2	0	0	0	112.5
120	S	51.4	Low	59	Low	116 Å²	116	88 Å²	88	81%	0.811	47%	0.471	S	S	*	.			trans	-103.9	57.4	160.9	74.5	0	0	0	0	110.5	S118	S118-S120 PolarHBondContact O-N 2.98Å; S118-S120 VanDerWaalsContact O-N 3.1Å
121	L	56.2	Low	60	Low	80 Å²	80	90.1 Å²	90.1	42%	0.419	48%	0.481	S	S	.	.			trans	-80.2	146.7	174.4	-104	74.2	0	0	0	111.4	T125 Q126	L121-T125 HydrophobicContact CD2-CG2 3.44Å; L121-T125 VanDerWaalsContact CD2-CG2 3.44Å; L121-T125 HydrophobicContact CG-CG2 4.21Å; L121-Q126 HydrophobicContact CB-CG 3.88Å; L121-Q126 PolarHBondContact O-NE2 2.94Å
122	D	70.7	Confident	61.2	Low	87 Å²	87	91.6 Å²	91.6	47%	0.465	49%	0.486	S	S	.	.			trans	-66.6	157	171.4	77	69.7	0	0	0	112.1	T124 T125 Q126	D122-T124 PolarHBondContact O-N 2.9Å; D122-T124 WeakPolarHBondContact OD1-CA 3.48Å; D122-T124 VanDerWaalsContact OD1-CB 3.3Å; D122-T124 WeakPolarHBondContact OD1-CB 3.34Å; D122-T124 PolarHBondContact OD1-N 2.78Å; D122-T125 VanDerWaalsContact CG-OG1 3.27Å; D122-T125 PolarHBondContact O-N 3.37Å; D122-T125 PolarHBondContact OD1-N 3.43Å; D122-T125 PolarHBondContact OD1-OG1 3.43Å; D122-T125 PolarHBondContact OD2-OG1 3.47Å; D122-Q126 WeakPolarHBondContact O-CG 3.41Å; D122-Q126 PolarHBondContact O-N 2.92Å; D122-Q126 VanDerWaalsContact O-N 3.1Å
123	S	73.4	Confident	62.2	Low	95 Å²	95	92.7 Å²	92.7	66%	0.664	49%	0.487	S	S	*	.	H	α-helix	trans	-64.1	-23.7	-174.8	59.2	0	0	0	0	114.8	K127	S123-K127 PolarHBondContact O-N 3.37Å
124	T	75	Confident	63.5	Low	92 Å²	92	91 Å²	91	56%	0.564	48%	0.482	S	S	*	.	H	α-helix	trans	-79.8	-44.9	-179.5	-52.2	0	0	0	0	110.1	D122 Q126 K127 L128	D122-T124 PolarHBondContact O-N 2.9Å; D122-T124 WeakPolarHBondContact OD1-CA 3.48Å; D122-T124 VanDerWaalsContact OD1-CB 3.3Å; D122-T124 WeakPolarHBondContact OD1-CB 3.34Å; D122-T124 PolarHBondContact OD1-N 2.78Å; T124-Q126 VanDerWaalsContact C-N 3.31Å; T124-Q126 PolarHBondContact O-N 3.36Å; T124-K127 PolarHBondContact O-N 3.03Å; T124-L128 PolarHBondContact O-N 3.2Å; T124-L128 VanDerWaalsContact O-N 3.07Å
125	T	72.6	Confident	64.7	Low	61 Å²	61	96 Å²	96	37%	0.374	50%	0.502	S	S	.	.	H	α-helix	trans	-62.8	-40.5	176.6	-54.8	0	0	0	0	110.7	L121 D122 K127 L128 E129	L121-T125 HydrophobicContact CD2-CG2 3.44Å; L121-T125 VanDerWaalsContact CD2-CG2 3.44Å; L121-T125 HydrophobicContact CG-CG2 4.21Å; D122-T125 VanDerWaalsContact CG-OG1 3.27Å; D122-T125 PolarHBondContact O-N 3.37Å; D122-T125 PolarHBondContact OD1-N 3.43Å; D122-T125 PolarHBondContact OD1-OG1 3.43Å; D122-T125 PolarHBondContact OD2-OG1 3.47Å; T125-K127 VanDerWaalsContact C-N 3.34Å; T125-K127 PolarHBondContact O-N 2.84Å; T125-L128 PolarHBondContact O-N 2.9Å; T125-E129 WeakPolarHBondContact O-CB 3.32Å; T125-E129 PolarHBondContact O-N 2.95Å
126	Q	71.5	Confident	66.3	Low	96 Å²	96	94.9 Å²	94.9	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-42.8	173.3	-70.5	178.4	12.8	0	0	112.5	L121 D122 T124 E129 L130	L121-Q126 HydrophobicContact CB-CG 3.88Å; L121-Q126 PolarHBondContact O-NE2 2.94Å; D122-Q126 WeakPolarHBondContact O-CG 3.41Å; D122-Q126 PolarHBondContact O-N 2.92Å; D122-Q126 VanDerWaalsContact O-N 3.1Å; T124-Q126 VanDerWaalsContact C-N 3.31Å; T124-Q126 PolarHBondContact O-N 3.36Å; Q126-E129 PolarHBondContact O-N 2.84Å; Q126-L130 WeakPolarHBondContact O-CG 3.44Å; Q126-L130 PolarHBondContact O-N 2.93Å
127	K	75.7	Confident	67.9	Low	131 Å²	131	90.2 Å²	90.2	57%	0.57	47%	0.471	S	S	*	.	H	α-helix	trans	-66.2	-43.3	-179.7	-170.6	-176.5	176.4	-165.6	0	112.2	S123 T124 T125 E129 L130 E131	S123-K127 PolarHBondContact O-N 3.37Å; T124-K127 PolarHBondContact O-N 3.03Å; T125-K127 VanDerWaalsContact C-N 3.34Å; T125-K127 PolarHBondContact O-N 2.84Å; K127-E129 VanDerWaalsContact C-N 3.31Å; K127-E129 PolarHBondContact O-N 2.99Å; K127-L130 PolarHBondContact O-N 3.06Å; K127-E131 VanDerWaalsContact CE-OE1 3.28Å; K127-E131 WeakPolarHBondContact CE-OE1 3.07Å; K127-E131 IonicContact NZ-OE1 3.61Å; K127-E131 WeakPolarHBondContact O-CG 3.18Å; K127-E131 PolarHBondContact O-N 2.87Å
128	L	74.8	Confident	69.9	Low	103 Å²	103	83.3 Å²	83.3	54%	0.539	44%	0.44	S	S	.	.	H	α-helix	trans	-64.1	-37.8	177.4	-71.5	171.7	0	0	0	111.9	T124 T125 E131 Y132	T124-L128 PolarHBondContact O-N 3.2Å; T124-L128 VanDerWaalsContact O-N 3.07Å; T125-L128 PolarHBondContact O-N 2.9Å; L128-E131 PolarHBondContact O-N 3.24Å; L128-Y132 WeakPolarHBondContact O-CB 3.35Å; L128-Y132 PolarHBondContact O-N 3.49Å
129	E	72.9	Confident	72.2	Confident	59 Å²	59	79.9 Å²	79.9	28%	0.276	41%	0.414	S	S	.	.	H	α-helix	trans	-65.3	-40.3	175.4	-173.1	62.8	-163.4	0	0	111.3	T125 Q126 K127 Y132 Q133 H236	T125-E129 WeakPolarHBondContact O-CB 3.32Å; T125-E129 PolarHBondContact O-N 2.95Å; Q126-E129 PolarHBondContact O-N 2.84Å; K127-E129 VanDerWaalsContact C-N 3.31Å; K127-E129 PolarHBondContact O-N 2.99Å; E129-Y132 PolarHBondContact O-N 3Å; E129-Q133 WeakPolarHBondContact O-CB 3.38Å; E129-Q133 WeakPolarHBondContact O-CG 3.38Å; E129-Q133 PolarHBondContact O-N 3.46Å; E129-Q133 PolarHBondContact OE1-NE2 2.95Å; E129-H236 IonicContact OE1-CE1 3.56Å; E129-H236 IonicContact OE1-ND1 2.76Å; E129-H236 PolarHBondContact OE1-ND1 2.94Å
130	L	73.7	Confident	74.1	Confident	108 Å²	108	77.8 Å²	77.8	57%	0.565	40%	0.4	S	S	*	.	H	α-helix	trans	-63.6	-43.5	174.8	-71.3	170.8	0	0	0	112.4	Q126 K127 Y132 Q133 E134	Q126-L130 WeakPolarHBondContact O-CG 3.44Å; Q126-L130 PolarHBondContact O-N 2.93Å; K127-L130 PolarHBondContact O-N 3.06Å; L130-Y132 VanDerWaalsContact C-N 3.31Å; L130-Y132 PolarHBondContact O-N 2.72Å; L130-Q133 PolarHBondContact O-N 3.11Å; L130-E134 PolarHBondContact O-N 2.96Å
131	E	74	Confident	76.1	Confident	104 Å²	104	72.6 Å²	72.6	49%	0.486	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-40.1	175.9	-72.6	175.2	-172.4	0	0	111.5	K127 L128 E134 F135	K127-E131 VanDerWaalsContact CE-OE1 3.28Å; K127-E131 WeakPolarHBondContact CE-OE1 3.07Å; K127-E131 IonicContact NZ-OE1 3.61Å; K127-E131 WeakPolarHBondContact O-CG 3.18Å; K127-E131 PolarHBondContact O-N 2.87Å; L128-E131 PolarHBondContact O-N 3.24Å; E131-E134 PolarHBondContact O-N 3.46Å; E131-F135 WeakPolarHBondContact O-CB 3.3Å; E131-F135 PolarHBondContact O-N 2.86Å
132	Y	73.1	Confident	77.8	Confident	44 Å²	44	69.8 Å²	69.8	17%	0.173	35%	0.349	C	S	.	.	H	α-helix	trans	-66.4	-42.4	175.4	178.1	-98.2	0	0	0	112.2	L128 E129 L130 E134 F135 T136 K231 K237	L128-Y132 WeakPolarHBondContact O-CB 3.35Å; L128-Y132 PolarHBondContact O-N 3.49Å; E129-Y132 PolarHBondContact O-N 3Å; L130-Y132 VanDerWaalsContact C-N 3.31Å; L130-Y132 PolarHBondContact O-N 2.72Å; Y132-E134 VanDerWaalsContact C-N 3.31Å; Y132-E134 PolarHBondContact O-N 3.42Å; Y132-F135 PolarHBondContact O-N 2.94Å; Y132-T136 HydrophobicContact CD1-CG2 4.39Å; Y132-T136 HydrophobicContact CD2-CG2 4.08Å; Y132-T136 HydrophobicContact CE1-CG2 4.01Å; Y132-T136 HydrophobicContact CE2-CG2 3.68Å; Y132-T136 HydrophobicContact CG-CG2 4.42Å; Y132-T136 WeakPolarHBondContact O-CB 3.28Å; Y132-T136 WeakPolarHBondContact O-CG2 3.44Å; Y132-T136 PolarHBondContact O-N 2.59Å; Y132-T136 PolarHBondContact O-OG1 2.92Å; Y132-K231 WeakPolarHBondContact OH-CE 3.46Å; Y132-K237 PolarHBondContact OH-O 3.11Å
133	Q	73.8	Confident	79	Confident	53 Å²	53	68.3 Å²	68.3	25%	0.248	34%	0.339	C	S	.	.	H	α-helix	trans	-61.9	-40.2	176.3	-76.3	174.6	7.7	0	0	111.6	E129 L130 T136 R137	E129-Q133 WeakPolarHBondContact O-CB 3.38Å; E129-Q133 WeakPolarHBondContact O-CG 3.38Å; E129-Q133 PolarHBondContact O-N 3.46Å; E129-Q133 PolarHBondContact OE1-NE2 2.95Å; L130-Q133 PolarHBondContact O-N 3.11Å; Q133-T136 CarbonylContact O-C 3.58Å; Q133-T136 PolarHBondContact O-N 3.07Å; Q133-R137 WeakPolarHBondContact O-CA 3.22Å; Q133-R137 WeakPolarHBondContact O-CB 3.38Å; Q133-R137 PolarHBondContact O-N 3.3Å
134	E	73.7	Confident	80.1	Confident	111 Å²	111	63.8 Å²	63.8	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-44.7	176.4	-169.7	55.4	-142.4	0	0	111.4	L130 E131 Y132 T136 R137	L130-E134 PolarHBondContact O-N 2.96Å; E131-E134 PolarHBondContact O-N 3.46Å; Y132-E134 VanDerWaalsContact C-N 3.31Å; Y132-E134 PolarHBondContact O-N 3.42Å; E134-T136 VanDerWaalsContact C-N 3.28Å; E134-T136 PolarHBondContact O-N 3.36Å; E134-R137 WeakPolarHBondContact O-CB 3.39Å; E134-R137 PolarHBondContact O-N 2.92Å; E134-R137 IonicContact OE1-CZ 3.63Å; E134-R137 IonicContact OE1-NE 3.15Å; E134-R137 PolarHBondContact OE1-NE 3.32Å; E134-R137 IonicContact OE1-NH2 2.83Å; E134-R137 PolarHBondContact OE1-NH2 2.9Å; E134-R137 IonicContact OE2-NE 3.31Å; E134-R137 PolarHBondContact OE2-NE 3.08Å
135	F	75.6	Confident	81.2	Confident	131 Å²	131	60.7 Å²	60.7	58%	0.575	29%	0.286	S	S	*	.	H	α-helix	trans	-62.5	-36.7	177.1	-179.1	-99.6	0	0	0	112.7	E131 Y132 R137 F156	E131-F135 WeakPolarHBondContact O-CB 3.3Å; E131-F135 PolarHBondContact O-N 2.86Å; Y132-F135 PolarHBondContact O-N 2.94Å; F135-R137 VanDerWaalsContact C-N 3.33Å; F135-F156 HydrophobicContact CD1-CE1 4.39Å; F135-F156 AromaticContact CE1-CE1 3.92Å; F135-F156 HydrophobicContact CE1-CE1 3.92Å; F135-F156 AromaticContact CE1-CZ 3.91Å; F135-F156 HydrophobicContact CE1-CZ 3.91Å; F135-F156 HydrophobicContact CZ-CZ 4.46Å
136	T	79.8	Confident	82.4	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.025	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	12.5	-178.5	63.2	0	0	0	0	113.1	R62 Y132 Q133 E134 V138 F156	R62-T136 PolarHBondContact NH2-O 3.46Å; Y132-T136 HydrophobicContact CD1-CG2 4.39Å; Y132-T136 HydrophobicContact CD2-CG2 4.08Å; Y132-T136 HydrophobicContact CE1-CG2 4.01Å; Y132-T136 HydrophobicContact CE2-CG2 3.68Å; Y132-T136 HydrophobicContact CG-CG2 4.42Å; Y132-T136 WeakPolarHBondContact O-CB 3.28Å; Y132-T136 WeakPolarHBondContact O-CG2 3.44Å; Y132-T136 PolarHBondContact O-N 2.59Å; Y132-T136 PolarHBondContact O-OG1 2.92Å; Q133-T136 CarbonylContact O-C 3.58Å; Q133-T136 PolarHBondContact O-N 3.07Å; E134-T136 VanDerWaalsContact C-N 3.28Å; E134-T136 PolarHBondContact O-N 3.36Å; T136-V138 VanDerWaalsContact C-N 3.32Å; T136-V138 PolarHBondContact O-N 2.88Å; T136-F156 HydrophobicContact CG2-CD1 3.59Å; T136-F156 HydrophobicContact CG2-CE1 4.03Å; T136-F156 HydrophobicContact CG2-CG 4.43Å
137	R	81.2	Confident	83.6	Confident	64 Å²	64	53.7 Å²	53.7	24%	0.242	25%	0.252	C	S	.	.	S	Bend	trans	-61.9	-40.7	-172.8	-164.1	166.6	59.5	107.1	14	112.2	I41 Y54 R62 Q133 E134 F135	I41-R137 HydrophobicContact CD1-CG 4.03Å; I41-R137 HydrophobicContact CG2-CG 3.88Å; I41-R137 PolarHBondContact O-NH2 2.68Å; Y54-R137 VanDerWaalsContact CE1-O 3.28Å; Y54-R137 WeakPolarHBondContact CE1-O 3.49Å; R62-R137 PolarHBondContact NH2-O 3.16Å; R62-R137 VanDerWaalsContact NH2-O 3.09Å; Q133-R137 WeakPolarHBondContact O-CA 3.22Å; Q133-R137 WeakPolarHBondContact O-CB 3.38Å; Q133-R137 PolarHBondContact O-N 3.3Å; E134-R137 WeakPolarHBondContact O-CB 3.39Å; E134-R137 PolarHBondContact O-N 2.92Å; E134-R137 IonicContact OE1-CZ 3.63Å; E134-R137 IonicContact OE1-NE 3.15Å; E134-R137 PolarHBondContact OE1-NE 3.32Å; E134-R137 IonicContact OE1-NH2 2.83Å; E134-R137 PolarHBondContact OE1-NH2 2.9Å; E134-R137 IonicContact OE2-NE 3.31Å; E134-R137 PolarHBondContact OE2-NE 3.08Å; F135-R137 VanDerWaalsContact C-N 3.33Å
138	V	83.5	Confident	84.4	Confident	14 Å²	14	54.8 Å²	54.8	9%	0.085	26%	0.256	C	S	.	.			trans	-106	127.5	-175.6	-178.4	0	0	0	0	110.8	I41 E42 Y54 W67 T136 F140 F156	I41-V138 HydrophobicContact CG2-CG2 3.42Å; I41-V138 VanDerWaalsContact CG2-CG2 3.42Å; E42-V138 HydrophobicContact CB-CG1 4.47Å; E42-V138 HydrophobicContact CB-CG2 3.7Å; E42-V138 HydrophobicContact CG-CG2 4.26Å; Y54-V138 HydrophobicContact CD1-CB 4.47Å; Y54-V138 HydrophobicContact CD1-CG1 4.37Å; Y54-V138 HydrophobicContact CD1-CG2 4.19Å; Y54-V138 HydrophobicContact CD2-CG1 4.34Å; Y54-V138 HydrophobicContact CG-CG1 4.08Å; W67-V138 HydrophobicContact CH2-CG1 4.11Å; W67-V138 HydrophobicContact CZ2-CG1 3.45Å; W67-V138 VanDerWaalsContact CZ2-CG1 3.45Å; T136-V138 VanDerWaalsContact C-N 3.32Å; T136-V138 PolarHBondContact O-N 2.88Å; V138-F140 HydrophobicContact CG1-CD2 4.48Å; V138-F140 HydrophobicContact CG1-CE1 4.25Å; V138-F140 HydrophobicContact CG1-CE2 4.11Å; V138-F140 HydrophobicContact CG1-CZ 3.99Å; V138-F156 WeakPolarHBondContact O-CD2 3.44Å
139	K	88.9	Confident	85.5	Confident	14 Å²	14	52.6 Å²	52.6	6%	0.061	24%	0.241	C	C	.	.			trans	-95.1	137.5	165	70.1	178.9	175.6	154	0	109.8	Y54 D65 W67 T153 F156	Y54-K139 HydrophobicContact CE2-CD 4.45Å; Y54-K139 HydrophobicContact CE2-CG 3.6Å; D65-K139 WeakPolarHBondContact O-CE 3.44Å; D65-K139 PolarHBondContact O-NZ 2.84Å; W67-K139 PolarHBondContact NE1-O 3.5Å; K139-T153 PolarHBondContact NZ-O 2.86Å; K139-F156 HydrophobicContact CB-CB 4.46Å
140	F	85.5	Confident	86.7	Confident	66 Å²	66	55 Å²	55	29%	0.289	25%	0.253	S	S	.	.			trans	-102.2	-31.2	176.9	-71.3	-79.7	0	0	0	113	R44 W67 V138 D142 R164	R44-F140 PolarHBondContact NH1-O 2.88Å; W67-F140 HydrophobicContact CH2-CE1 4.4Å; W67-F140 AromaticContact CZ2-CD1 4Å; W67-F140 HydrophobicContact CZ2-CD1 4Å; W67-F140 AromaticContact CZ2-CE1 3.95Å; W67-F140 HydrophobicContact CZ2-CE1 3.95Å; V138-F140 HydrophobicContact CG1-CD2 4.48Å; V138-F140 HydrophobicContact CG1-CE1 4.25Å; V138-F140 HydrophobicContact CG1-CE2 4.11Å; V138-F140 HydrophobicContact CG1-CZ 3.99Å; F140-D142 PolarHBondContact O-N 3.28Å; F140-R164 WeakPolarHBondContact CB-O 3.46Å
141	I	92.2	Very high	87.8	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.036	23%	0.228	C	C	.	.			trans	-82.2	107.7	175.5	-55.8	166.4	0	0	0	107.3	Q143 I144 T153 Y159 V166 L169 L232	I141-Q143 WeakPolarHBondContact CG2-O 3.13Å; I141-I144 HydrophobicContact CG2-CG2 4.11Å; I141-T153 HydrophobicContact CG2-CG2 4.08Å; I141-T153 PolarHBondContact O-OG1 3.03Å; I141-Y159 HydrophobicContact CD1-CD2 3.56Å; I141-Y159 HydrophobicContact CD1-CE2 4Å; I141-Y159 HydrophobicContact CD1-CG 4.3Å; I141-V166 VanDerWaalsContact CA-O 3.3Å; I141-V166 WeakPolarHBondContact CA-O 3.37Å; I141-V166 HydrophobicContact CG1-CG2 4.35Å; I141-L169 HydrophobicContact CD1-CD2 4.18Å; I141-L169 HydrophobicContact CG2-CB 4Å; I141-L232 HydrophobicContact CD1-CD2 4.42Å
142	D	92.1	Very high	88.8	Confident	22 Å²	22	50 Å²	50	12%	0.118	23%	0.23	C	C	.	.			trans	-82.7	-36.3	-179.5	-66.2	-26.8	0	0	0	111.3	R44 F140 T153 K167	R44-D142 IonicContact NH2-OD2 3.78Å; R44-D142 PolarHBondContact NH2-OD2 3.32Å; F140-D142 PolarHBondContact O-N 3.28Å; D142-T153 PolarHBondContact O-N 3.45Å; D142-T153 PolarHBondContact O-OG1 2.82Å; D142-T153 VanDerWaalsContact O-OG1 3.13Å; D142-K167 HydrophobicContact CB-CG 4.08Å; D142-K167 PolarHBondContact N-O 2.95Å; D142-K167 WeakPolarHBondContact OD2-CE 3.47Å; D142-K167 WeakPolarHBondContact OD2-CG 3.48Å
143	Q	95.5	Very high	89.9	Confident	56 Å²	56	48 Å²	48	26%	0.262	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154	-175	-68.5	-173.6	-27.4	0	0	112.9	I141 I151 D152 K167 K168 L169	I141-Q143 WeakPolarHBondContact CG2-O 3.13Å; Q143-I151 CarbonylContact C-O 3.53Å; Q143-I151 WeakPolarHBondContact CA-O 3.31Å; Q143-D152 VanDerWaalsContact CG-OD1 3.29Å; Q143-D152 WeakPolarHBondContact CG-OD1 3.34Å; Q143-D152 PolarHBondContact NE2-OD1 3.31Å; Q143-K167 PolarHBondContact N-O 3.29Å; Q143-K167 VanDerWaalsContact N-O 3.12Å; Q143-K168 HydrophobicContact CB-CG 4.31Å; Q143-K168 VanDerWaalsContact O-CA 3.27Å; Q143-K168 WeakPolarHBondContact O-CA 3.19Å; Q143-L169 PolarHBondContact O-N 3.25Å
144	I	98	Very high	90.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.1	167.2	65.6	171.3	0	0	0	111.4	I141 F146 E150 I151 T153 L169 I171 L229 L232 F233	I141-I144 HydrophobicContact CG2-CG2 4.11Å; I144-F146 HydrophobicContact CD1-CB 4.4Å; I144-E150 WeakPolarHBondContact O-CA 3.49Å; I144-I151 HydrophobicContact CD1-CB 4.46Å; I144-I151 HydrophobicContact CD1-CD1 4.32Å; I144-I151 HydrophobicContact CG1-CB 3.85Å; I144-I151 HydrophobicContact CG1-CD1 4.41Å; I144-I151 HydrophobicContact CG1-CG1 4.43Å; I144-I151 PolarHBondContact N-O 2.93Å; I144-I151 PolarHBondContact O-N 3.39Å; I144-T153 HydrophobicContact CG2-CG2 3.9Å; I144-L169 CarbonylContact C-O 3.5Å; I144-L169 VanDerWaalsContact CA-O 3.22Å; I144-L169 WeakPolarHBondContact CA-O 3.41Å; I144-L169 HydrophobicContact CG2-CB 4.14Å; I144-I171 HydrophobicContact CB-CD1 4.25Å; I144-I171 HydrophobicContact CD1-CD1 4.11Å; I144-I171 HydrophobicContact CG2-CD1 4.09Å; I144-L229 HydrophobicContact CD1-CD1 3.48Å; I144-L229 VanDerWaalsContact CD1-CD1 3.48Å; I144-L232 HydrophobicContact CD1-CD1 4.33Å; I144-L232 HydrophobicContact CG2-CD1 3.67Å; I144-F233 HydrophobicContact CD1-CE2 4.05Å; I144-F233 HydrophobicContact CD1-CZ 3.8Å; I144-F233 HydrophobicContact CG1-CZ 4.44Å
145	Q	98.1	Very high	91.7	Very high	26 Å²	26	42.9 Å²	42.9	12%	0.121	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.3	159.8	-171.3	73.2	39.9	0	0	108.7	G147 Y149 L169 W170 I171 W185	Q145-G147 PolarHBondContact NE2-O 2.62Å; Q145-Y149 PolarHBondContact NE2-O 2.97Å; Q145-L169 PolarHBondContact N-O 3.2Å; Q145-W170 HydrophobicContact CB-CD2 3.87Å; Q145-W170 HydrophobicContact CB-CE3 3.38Å; Q145-W170 HydrophobicContact CB-CG 4.44Å; Q145-W170 HydrophobicContact CB-CZ3 3.76Å; Q145-W170 HydrophobicContact CG-CD2 4.45Å; Q145-W170 HydrophobicContact CG-CE3 3.49Å; Q145-W170 VanDerWaalsContact CG-CE3 3.49Å; Q145-W170 HydrophobicContact CG-CH2 4.49Å; Q145-W170 HydrophobicContact CG-CZ3 3.51Å; Q145-I171 PolarHBondContact O-N 3.37Å; Q145-W185 HydrophobicContact CG-CH2 4.08Å; Q145-W185 HydrophobicContact CG-CZ2 3.88Å
146	F	97.8	Very high	92.5	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	100.8	176.1	-166.4	-95.5	0	0	0	110.2	I144 K148 Y149 I151 I171 E173 L176 L229 L261 L283	I144-F146 HydrophobicContact CD1-CB 4.4Å; F146-K148 PolarHBondContact O-N 2.94Å; F146-Y149 PolarHBondContact N-O 3.08Å; F146-Y149 PolarHBondContact O-N 2.77Å; F146-I151 HydrophobicContact CB-CD1 3.94Å; F146-I171 HydrophobicContact CD2-CB 4.02Å; F146-I171 HydrophobicContact CD2-CG2 3.87Å; F146-I171 HydrophobicContact CE2-CG2 3.97Å; F146-E173 HydrophobicContact CD1-CB 4.26Å; F146-E173 HydrophobicContact CE1-CB 3.88Å; F146-E173 HydrophobicContact CE2-CB 4.33Å; F146-E173 HydrophobicContact CZ-CB 3.91Å; F146-L176 HydrophobicContact CE2-CD2 3.71Å; F146-L176 HydrophobicContact CZ-CD2 3.9Å; F146-L229 HydrophobicContact CD2-CD2 4.35Å; F146-L229 HydrophobicContact CE2-CD2 3.81Å; F146-L229 HydrophobicContact CZ-CD2 4.33Å; F146-L261 HydrophobicContact CE1-CB 4.42Å; F146-L261 HydrophobicContact CZ-CB 4.11Å; F146-L261 HydrophobicContact CZ-CD2 4.05Å; F146-L283 HydrophobicContact CD1-CD1 4.31Å; F146-L283 HydrophobicContact CE1-CD1 3.91Å; F146-L283 HydrophobicContact CZ-CD1 4.3Å
147	G	94.9	Very high	93.1	Very high	8 Å²	8	37.5 Å²	37.5	8%	0.082	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-127	-171	0	0	0	0	0	110.8	Q145 Y149	Q145-G147 PolarHBondContact NE2-O 2.62Å; G147-Y149 VanDerWaalsContact C-N 3.27Å; G147-Y149 PolarHBondContact O-N 3.25Å
148	K	94.1	Very high	93.6	Very high	154 Å²	154	34.8 Å²	34.8	67%	0.67	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.1	176.7	67.2	-169.2	172.5	-157.9	0	115.3	F146	F146-K148 PolarHBondContact O-N 2.94Å
149	Y	97.5	Very high	94.1	Very high	57 Å²	57	34.2 Å²	34.2	22%	0.224	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.6	-175.3	-55.6	-73.3	0	0	0	111.5	Q145 F146 G147 P285 F286	Q145-Y149 PolarHBondContact NE2-O 2.97Å; F146-Y149 PolarHBondContact N-O 3.08Å; F146-Y149 PolarHBondContact O-N 2.77Å; G147-Y149 VanDerWaalsContact C-N 3.27Å; G147-Y149 PolarHBondContact O-N 3.25Å; Y149-P285 HydrophobicContact CD1-CB 3.85Å; Y149-P285 HydrophobicContact CD1-CG 4.09Å; Y149-P285 HydrophobicContact CD2-CB 4.32Å; Y149-P285 HydrophobicContact CD2-CG 4.32Å; Y149-P285 HydrophobicContact CE1-CB 3.96Å; Y149-P285 HydrophobicContact CE2-CB 4.41Å; Y149-P285 HydrophobicContact CG-CB 4.03Å; Y149-P285 HydrophobicContact CG-CG 3.89Å; Y149-F286 HydrophobicContact CD2-CZ 4.27Å; Y149-F286 AromaticContact CE2-CE1 3.89Å; Y149-F286 HydrophobicContact CE2-CE1 3.89Å; Y149-F286 HydrophobicContact CE2-CE2 4.49Å; Y149-F286 AromaticContact CE2-CZ 3.56Å; Y149-F286 HydrophobicContact CE2-CZ 3.56Å
150	E	97.7	Very high	94.2	Very high	110 Å²	110	35.1 Å²	35.1	51%	0.514	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.9	158.7	-174.4	172	88.5	0	0	107.2	I144 K168	I144-E150 WeakPolarHBondContact O-CA 3.49Å; E150-K168 IonicContact OE2-NZ 3.89Å; E150-K168 PolarHBondContact OE2-NZ 2.89Å
151	I	97.5	Very high	94.3	Very high	8 Å²	8	36.3 Å²	36.3	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123	-169.6	-48.1	173.3	0	0	0	109	Q143 I144 F146 F233 P284 P285	Q143-I151 CarbonylContact C-O 3.53Å; Q143-I151 WeakPolarHBondContact CA-O 3.31Å; I144-I151 HydrophobicContact CD1-CB 4.46Å; I144-I151 HydrophobicContact CD1-CD1 4.32Å; I144-I151 HydrophobicContact CG1-CB 3.85Å; I144-I151 HydrophobicContact CG1-CD1 4.41Å; I144-I151 HydrophobicContact CG1-CG1 4.43Å; I144-I151 PolarHBondContact N-O 2.93Å; I144-I151 PolarHBondContact O-N 3.39Å; F146-I151 HydrophobicContact CB-CD1 3.94Å; I151-F233 HydrophobicContact CG2-CE1 3.78Å; I151-F233 HydrophobicContact CG2-CZ 3.76Å; I151-P284 HydrophobicContact CG2-CB 4.01Å; I151-P284 HydrophobicContact CG2-CG 3.81Å; I151-P285 HydrophobicContact CD1-CG 3.58Å; I151-P285 HydrophobicContact CG1-CG 3.78Å
152	D	95.5	Very high	94	Very high	99 Å²	99	41 Å²	41	53%	0.529	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.8	170.4	-59.3	-40.9	0	0	0	110.1	Q143	Q143-D152 VanDerWaalsContact CG-OD1 3.29Å; Q143-D152 WeakPolarHBondContact CG-OD1 3.34Å; Q143-D152 PolarHBondContact NE2-OD1 3.31Å
153	T	95.5	Very high	93.9	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	20%	0.196	C	C	.	.			trans	-81.2	155.5	178.6	65.3	0	0	0	0	110.5	K139 I141 D142 I144 L232	K139-T153 PolarHBondContact NZ-O 2.86Å; I141-T153 HydrophobicContact CG2-CG2 4.08Å; I141-T153 PolarHBondContact O-OG1 3.03Å; D142-T153 PolarHBondContact O-N 3.45Å; D142-T153 PolarHBondContact O-OG1 2.82Å; D142-T153 VanDerWaalsContact O-OG1 3.13Å; I144-T153 HydrophobicContact CG2-CG2 3.9Å; T153-L232 HydrophobicContact CG2-CB 4.27Å; T153-L232 HydrophobicContact CG2-CD1 4.18Å; T153-L232 HydrophobicContact CG2-CD2 3.92Å; T153-L232 HydrophobicContact CG2-CG 4.36Å
154	W	93.2	Very high	93.1	Very high	42 Å²	42	42 Å²	42	16%	0.159	20%	0.196	C	C	.	.			trans	-106.4	-37.9	-178.6	-59.4	-16.6	0	0	0	112.3	R63 L232 F233 P284 L319	R63-W154 HydrophobicContact CB-CB 3.95Å; R63-W154 HydrophobicContact CB-CG 4.14Å; W154-L232 PolarHBondContact N-O 2.96Å; W154-F233 AromaticContact CD2-CD1 3.98Å; W154-F233 HydrophobicContact CD2-CD1 3.98Å; W154-F233 HydrophobicContact CE3-CB 3.98Å; W154-F233 HydrophobicContact CE3-CD1 4.27Å; W154-F233 HydrophobicContact CG-CD1 4.18Å; W154-F233 HydrophobicContact CZ3-CB 4.37Å; W154-P284 HydrophobicContact CH2-CG 4.29Å; W154-P284 HydrophobicContact CZ2-CB 4.09Å; W154-P284 HydrophobicContact CZ2-CG 3.82Å; W154-L319 HydrophobicContact CH2-CD1 4.19Å; W154-L319 HydrophobicContact CZ3-CD1 4.19Å
155	Y	92.2	Very high	92.2	Very high	14 Å²	14	48.8 Å²	48.8	6%	0.055	23%	0.227	C	C	.	.	S	Bend	trans	-133.8	163.5	-170.9	-51.8	-68.7	0	0	0	112.1	D61 R62 R63 L232 F233 D235	D61-Y155 PolarHBondContact OD1-OH 2.79Å; R62-Y155 HydrophobicContact CB-CE1 4.29Å; R63-Y155 HydrophobicContact CB-CE1 4.26Å; Y155-L232 PolarHBondContact N-O 2.84Å; Y155-F233 VanDerWaalsContact CD2-C 3.49Å; Y155-D235 HydrophobicContact CD1-CB 4.07Å; Y155-D235 HydrophobicContact CD2-CB 4.3Å; Y155-D235 HydrophobicContact CE1-CB 3.86Å; Y155-D235 HydrophobicContact CE2-CB 4.1Å; Y155-D235 HydrophobicContact CG-CB 4.28Å
156	F	91.6	Very high	91.7	Very high	17 Å²	17	48.8 Å²	48.8	8%	0.075	23%	0.229	C	C	.	.			trans	-59.9	136.8	168.6	170.7	-92.8	0	0	0	110.9	F135 T136 V138 K139 P158 K231	F135-F156 HydrophobicContact CD1-CE1 4.39Å; F135-F156 AromaticContact CE1-CE1 3.92Å; F135-F156 HydrophobicContact CE1-CE1 3.92Å; F135-F156 AromaticContact CE1-CZ 3.91Å; F135-F156 HydrophobicContact CE1-CZ 3.91Å; F135-F156 HydrophobicContact CZ-CZ 4.46Å; T136-F156 HydrophobicContact CG2-CD1 3.59Å; T136-F156 HydrophobicContact CG2-CE1 4.03Å; T136-F156 HydrophobicContact CG2-CG 4.43Å; V138-F156 WeakPolarHBondContact O-CD2 3.44Å; K139-F156 HydrophobicContact CB-CB 4.46Å; F156-P158 HydrophobicContact CE1-CB 3.74Å; F156-P158 HydrophobicContact CE1-CG 4.4Å; F156-P158 HydrophobicContact CZ-CB 4.01Å; F156-K231 WeakPolarHBondContact O-CG 3.5Å; F156-K231 PolarHBondContact O-NZ 2.9Å
157	S	93.1	Very high	91.3	Very high	5 Å²	5	53.7 Å²	53.7	4%	0.035	25%	0.25	C	S	.	.			trans	-127.2	131.7	168.6	-178	0	0	0	0	110.8	Y159 L228 L232	S157-Y159 PolarHBondContact O-N 3.36Å; S157-Y159 WeakPolarHBondContact OG-CE2 3.46Å; S157-L228 WeakPolarHBondContact CB-O 3.39Å; S157-L228 PolarHBondContact OG-O 3.3Å; S157-L232 VanDerWaalsContact CB-CD2 3.43Å
158	P	90.8	Very high	91.3	Very high	7 Å²	7	55.5 Å²	55.5	5%	0.045	26%	0.256	C	S	.	.			trans	-82.6	56.4	-171.3	33.6	-35.3	0	0	0	112.2	F156 L228 Y240 Y241	F156-P158 HydrophobicContact CE1-CB 3.74Å; F156-P158 HydrophobicContact CE1-CG 4.4Å; F156-P158 HydrophobicContact CZ-CB 4.01Å; P158-L228 HydrophobicContact CG-CD2 4.22Å; P158-Y240 HydrophobicContact CB-CE2 3.88Å; P158-Y240 HydrophobicContact CG-CD1 3.74Å; P158-Y240 HydrophobicContact CG-CD2 3.55Å; P158-Y240 HydrophobicContact CG-CE1 3.5Å; P158-Y240 VanDerWaalsContact CG-CE1 3.5Å; P158-Y240 HydrophobicContact CG-CE2 3.27Å; P158-Y240 HydrophobicContact CG-CG 3.78Å; P158-Y241 PolarHBondContact O-OH 2.96Å
159	Y	94	Very high	91.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.008	22%	0.224	C	C	.	.			trans	-55.6	159.4	167.7	-75.7	-87.6	0	0	0	110.6	I141 S157 R164 L169 Y178 L228 L229 L232	I141-Y159 HydrophobicContact CD1-CD2 3.56Å; I141-Y159 HydrophobicContact CD1-CE2 4Å; I141-Y159 HydrophobicContact CD1-CG 4.3Å; S157-Y159 PolarHBondContact O-N 3.36Å; S157-Y159 WeakPolarHBondContact OG-CE2 3.46Å; Y159-R164 WeakPolarHBondContact O-CG 3.17Å; Y159-R164 PolarHBondContact O-NE 2.89Å; Y159-L169 HydrophobicContact CD1-CD2 4.02Å; Y159-L169 HydrophobicContact CD2-CD2 4.26Å; Y159-L169 HydrophobicContact CE1-CD2 3.63Å; Y159-L169 HydrophobicContact CE2-CD2 3.89Å; Y159-L169 HydrophobicContact CG-CD2 4.32Å; Y159-Y178 AromaticContact CD1-CD1 3.9Å; Y159-Y178 HydrophobicContact CD1-CD1 3.9Å; Y159-Y178 AromaticContact CD1-CD2 3.91Å; Y159-Y178 HydrophobicContact CD1-CD2 3.91Å; Y159-Y178 AromaticContact CD1-CE1 3.95Å; Y159-Y178 HydrophobicContact CD1-CE1 3.95Å; Y159-Y178 AromaticContact CD1-CE2 3.99Å; Y159-Y178 HydrophobicContact CD1-CE2 3.99Å; Y159-Y178 AromaticContact CD1-CG 3.86Å; Y159-Y178 HydrophobicContact CD1-CG 3.86Å; Y159-Y178 AromaticContact CE1-CD1 3.49Å; Y159-Y178 HydrophobicContact CE1-CD1 3.49Å; Y159-Y178 VanDerWaalsContact CE1-CD1 3.49Å; Y159-Y178 HydrophobicContact CE1-CD2 4.15Å; Y159-Y178 AromaticContact CE1-CE1 3.9Å; Y159-Y178 HydrophobicContact CE1-CE1 3.9Å; Y159-Y178 AromaticContact CE1-CG 3.61Å; Y159-Y178 HydrophobicContact CE1-CG 3.61Å; Y159-L228 HydrophobicContact CD1-CB 4.26Å; Y159-L228 HydrophobicContact CD1-CD1 3.94Å; Y159-L228 HydrophobicContact CE1-CB 3.72Å; Y159-L228 HydrophobicContact CE1-CD1 4.02Å; Y159-L228 HydrophobicContact CE1-CG 4.42Å; Y159-L228 HydrophobicContact CE2-CB 4.18Å; Y159-L229 PolarHBondContact OH-N 2.47Å; Y159-L232 HydrophobicContact CE2-CD1 4.04Å; Y159-L232 HydrophobicContact CE2-CD2 4.16Å; Y159-L232 HydrophobicContact CE2-CG 4.14Å
160	P	92.2	Very high	91.5	Very high	32 Å²	32	47.6 Å²	47.6	21%	0.208	22%	0.221	C	C	.	.			trans	-54.6	149.9	173.4	-23.2	33.2	0	0	0	111.3	E162 F163 R164 Y178	P160-E162 WeakPolarHBondContact CB-OE2 3.34Å; P160-E162 PolarHBondContact O-N 2.94Å; P160-F163 HydrophobicContact CB-CD2 4.07Å; P160-F163 HydrophobicContact CG-CD2 4.29Å; P160-F163 WeakPolarHBondContact O-CA 3.3Å; P160-F163 PolarHBondContact O-N 2.91Å; P160-R164 PolarHBondContact O-N 2.97Å; P160-Y178 WeakPolarHBondContact CD-OH 3.16Å; P160-Y178 HydrophobicContact CG-CE2 4.45Å; P160-Y178 WeakPolarHBondContact CG-OH 3.4Å
161	E	86.2	Confident	91.5	Very high	91 Å²	91	42.3 Å²	42.3	43%	0.425	20%	0.197	S	C	.	.	H	α-helix	trans	-50.4	-40.9	-169.2	-174	57.8	-141.5	0	0	112.2	F163 R164 Q165	E161-F163 PolarHBondContact O-N 2.94Å; E161-F163 VanDerWaalsContact O-N 3.08Å; E161-R164 PolarHBondContact O-N 3.45Å; E161-R164 VanDerWaalsContact O-N 3.08Å; E161-R164 IonicContact OE2-CZ 2.74Å; E161-R164 IonicContact OE2-NE 3.07Å; E161-R164 IonicContact OE2-NH1 2.79Å; E161-R164 PolarHBondContact OE2-NH1 3.09Å; E161-R164 IonicContact OE2-NH2 2.81Å; E161-Q165 PolarHBondContact OE1-NE2 2.96Å
162	E	87.5	Confident	91.5	Very high	107 Å²	107	42 Å²	42	50%	0.5	20%	0.195	S	C	.	.	H	α-helix	trans	-65.2	-18.2	-177.7	74.5	-91.1	-161.6	0	0	113.3	P160 K180	P160-E162 WeakPolarHBondContact CB-OE2 3.34Å; P160-E162 PolarHBondContact O-N 2.94Å; E162-K180 VanDerWaalsContact CB-NZ 3.35Å; E162-K180 WeakPolarHBondContact O-CD 3.39Å; E162-K180 WeakPolarHBondContact O-CE 3.3Å; E162-K180 PolarHBondContact O-NZ 2.91Å
163	F	88.4	Confident	91.6	Very high	32 Å²	32	39 Å²	39	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-105.9	-5.5	176.7	-59.1	-89	0	0	0	113.7	P160 E161 V166 L169 Y178 K180	P160-F163 HydrophobicContact CB-CD2 4.07Å; P160-F163 HydrophobicContact CG-CD2 4.29Å; P160-F163 WeakPolarHBondContact O-CA 3.3Å; P160-F163 PolarHBondContact O-N 2.91Å; E161-F163 PolarHBondContact O-N 2.94Å; E161-F163 VanDerWaalsContact O-N 3.08Å; F163-V166 WeakPolarHBondContact O-CG2 3.28Å; F163-L169 HydrophobicContact CB-CD1 4.29Å; F163-L169 HydrophobicContact CD1-CD1 3.96Å; F163-Y178 AromaticContact CD1-CD2 3.75Å; F163-Y178 HydrophobicContact CD1-CD2 3.75Å; F163-Y178 HydrophobicContact CD1-CE2 4.13Å; F163-Y178 HydrophobicContact CD2-CD2 4.13Å; F163-Y178 AromaticContact CD2-CE2 3.64Å; F163-Y178 HydrophobicContact CD2-CE2 3.64Å; F163-Y178 AromaticContact CE1-CD2 3.84Å; F163-Y178 HydrophobicContact CE1-CD2 3.84Å; F163-Y178 HydrophobicContact CE1-CE2 4.14Å; F163-Y178 HydrophobicContact CE2-CD2 4.22Å; F163-Y178 AromaticContact CE2-CE2 3.67Å; F163-Y178 HydrophobicContact CE2-CE2 3.67Å; F163-Y178 AromaticContact CG-CD2 3.91Å; F163-Y178 HydrophobicContact CG-CD2 3.91Å; F163-Y178 AromaticContact CG-CE2 3.9Å; F163-Y178 HydrophobicContact CG-CE2 3.9Å; F163-Y178 HydrophobicContact CZ-CD2 4.09Å; F163-Y178 AromaticContact CZ-CE2 3.93Å; F163-Y178 HydrophobicContact CZ-CE2 3.93Å; F163-K180 HydrophobicContact CD1-CD 4.31Å; F163-K180 HydrophobicContact CD1-CG 3.46Å; F163-K180 VanDerWaalsContact CD1-CG 3.46Å; F163-K180 HydrophobicContact CE1-CD 4.42Å; F163-K180 HydrophobicContact CE1-CG 3.57Å; F163-K180 HydrophobicContact CG-CG 4.43Å
164	R	79.2	Confident	91.7	Very high	66 Å²	66	39.6 Å²	39.6	25%	0.249	18%	0.18	C	C	.	.	H	α-helix	trans	-72.6	-41.1	-178.8	-69	-172.4	-158.6	144.2	17.7	112	F140 Y159 P160 E161 V166	F140-R164 WeakPolarHBondContact CB-O 3.46Å; Y159-R164 WeakPolarHBondContact O-CG 3.17Å; Y159-R164 PolarHBondContact O-NE 2.89Å; P160-R164 PolarHBondContact O-N 2.97Å; E161-R164 PolarHBondContact O-N 3.45Å; E161-R164 VanDerWaalsContact O-N 3.08Å; E161-R164 IonicContact OE2-CZ 2.74Å; E161-R164 IonicContact OE2-NE 3.07Å; E161-R164 IonicContact OE2-NH1 2.79Å; E161-R164 PolarHBondContact OE2-NH1 3.09Å; E161-R164 IonicContact OE2-NH2 2.81Å; R164-V166 PolarHBondContact O-N 2.92Å; R164-V166 VanDerWaalsContact O-N 3.14Å
165	Q	79.3	Confident	91.9	Very high	142 Å²	142	39.1 Å²	39.1	66%	0.664	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	28.5	-170.1	-55.6	-178.3	17.5	0	0	113.3	E161	E161-Q165 PolarHBondContact OE1-NE2 2.96Å
166	V	87.1	Confident	92.2	Very high	27 Å²	27	38.5 Å²	38.5	16%	0.164	18%	0.181	C	C	.	.			trans	-106.3	133.2	176.5	-55.5	0	0	0	0	110	I141 F163 R164 K168 L169 K180	I141-V166 VanDerWaalsContact CA-O 3.3Å; I141-V166 WeakPolarHBondContact CA-O 3.37Å; I141-V166 HydrophobicContact CG1-CG2 4.35Å; F163-V166 WeakPolarHBondContact O-CG2 3.28Å; R164-V166 PolarHBondContact O-N 2.92Å; R164-V166 VanDerWaalsContact O-N 3.14Å; V166-K168 VanDerWaalsContact C-N 3.31Å; V166-K168 PolarHBondContact O-N 2.95Å; V166-L169 HydrophobicContact CG2-CB 4.37Å; V166-L169 HydrophobicContact CG2-CD1 4.03Å; V166-K180 HydrophobicContact CG1-CB 4.47Å; V166-K180 HydrophobicContact CG1-CD 4.33Å; V166-K180 HydrophobicContact CG1-CG 4.34Å
167	K	89.8	Confident	92.5	Very high	106 Å²	106	42.7 Å²	42.7	46%	0.461	20%	0.199	S	C	.	.	S	Bend	trans	-64.6	-36.2	176.4	-171.8	162.5	-170.8	166.9	0	112.3	E52 D142 Q143	E52-K167 IonicContact OE1-NZ 2.62Å; E52-K167 PolarHBondContact OE1-NZ 2.87Å; D142-K167 HydrophobicContact CB-CG 4.08Å; D142-K167 PolarHBondContact N-O 2.95Å; D142-K167 WeakPolarHBondContact OD2-CE 3.47Å; D142-K167 WeakPolarHBondContact OD2-CG 3.48Å; Q143-K167 PolarHBondContact N-O 3.29Å; Q143-K167 VanDerWaalsContact N-O 3.12Å
168	K	94.9	Very high	92.7	Very high	46 Å²	46	44.3 Å²	44.3	20%	0.2	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130	179.8	-174.7	171.7	177.6	177.3	0	111.4	Q143 E150 V166 W170	Q143-K168 HydrophobicContact CB-CG 4.31Å; Q143-K168 VanDerWaalsContact O-CA 3.27Å; Q143-K168 WeakPolarHBondContact O-CA 3.19Å; E150-K168 IonicContact OE2-NZ 3.89Å; E150-K168 PolarHBondContact OE2-NZ 2.89Å; V166-K168 VanDerWaalsContact C-N 3.31Å; V166-K168 PolarHBondContact O-N 2.95Å; K168-W170 HydrophobicContact CD-CZ2 4.14Å
169	L	97	Very high	93	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.9	175.9	-166.8	69.9	0	0	0	110.7	I141 Q143 I144 Q145 Y159 F163 V166 I171 M179	I141-L169 HydrophobicContact CD1-CD2 4.18Å; I141-L169 HydrophobicContact CG2-CB 4Å; Q143-L169 PolarHBondContact O-N 3.25Å; I144-L169 CarbonylContact C-O 3.5Å; I144-L169 VanDerWaalsContact CA-O 3.22Å; I144-L169 WeakPolarHBondContact CA-O 3.41Å; I144-L169 HydrophobicContact CG2-CB 4.14Å; Q145-L169 PolarHBondContact N-O 3.2Å; Y159-L169 HydrophobicContact CD1-CD2 4.02Å; Y159-L169 HydrophobicContact CD2-CD2 4.26Å; Y159-L169 HydrophobicContact CE1-CD2 3.63Å; Y159-L169 HydrophobicContact CE2-CD2 3.89Å; Y159-L169 HydrophobicContact CG-CD2 4.32Å; F163-L169 HydrophobicContact CB-CD1 4.29Å; F163-L169 HydrophobicContact CD1-CD1 3.96Å; V166-L169 HydrophobicContact CG2-CB 4.37Å; V166-L169 HydrophobicContact CG2-CD1 4.03Å; L169-I171 HydrophobicContact CD2-CD1 4.09Å; L169-I171 HydrophobicContact CD2-CG1 4.16Å; L169-I171 HydrophobicContact CG-CG1 4.22Å; L169-M179 WeakPolarHBondContact CD1-O 3.22Å
170	W	97.9	Very high	93	Very high	44 Å²	44	47.7 Å²	47.7	17%	0.167	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	117.4	-179.7	-61.2	78.9	0	0	0	110	Q145 K168 Y178 M179 W185	Q145-W170 HydrophobicContact CB-CD2 3.87Å; Q145-W170 HydrophobicContact CB-CE3 3.38Å; Q145-W170 HydrophobicContact CB-CG 4.44Å; Q145-W170 HydrophobicContact CB-CZ3 3.76Å; Q145-W170 HydrophobicContact CG-CD2 4.45Å; Q145-W170 HydrophobicContact CG-CE3 3.49Å; Q145-W170 VanDerWaalsContact CG-CE3 3.49Å; Q145-W170 HydrophobicContact CG-CH2 4.49Å; Q145-W170 HydrophobicContact CG-CZ3 3.51Å; K168-W170 HydrophobicContact CD-CZ2 4.14Å; W170-Y178 CarbonylContact O-C 3.46Å; W170-Y178 WeakPolarHBondContact O-CA 3.32Å; W170-M179 HydrophobicContact CB-CB 4.36Å; W170-M179 PolarHBondContact N-O 3.03Å; W170-M179 PolarHBondContact O-N 2.92Å; W170-W185 HydrophobicContact CB-CB 3.63Å; W170-W185 HydrophobicContact CB-CD2 4.48Å; W170-W185 HydrophobicContact CB-CG 3.71Å; W170-W185 HydrophobicContact CD2-CB 4.47Å; W170-W185 HydrophobicContact CE3-CB 4.36Å; W170-W185 AromaticContact CE3-CD2 3.64Å; W170-W185 HydrophobicContact CE3-CD2 3.64Å; W170-W185 AromaticContact CE3-CE3 3.54Å; W170-W185 HydrophobicContact CE3-CE3 3.54Å; W170-W185 HydrophobicContact CE3-CG 4.04Å; W170-W185 HydrophobicContact CE3-CZ3 4.01Å; W170-W185 HydrophobicContact CG-CB 4.2Å; W170-W185 HydrophobicContact CG-CG 4.43Å; W170-W185 HydrophobicContact CZ3-CD2 4.35Å; W170-W185 AromaticContact CZ3-CE3 3.82Å; W170-W185 HydrophobicContact CZ3-CE3 3.82Å; W170-W185 HydrophobicContact CZ3-CH2 4.45Å; W170-W185 AromaticContact CZ3-CZ3 3.87Å; W170-W185 HydrophobicContact CZ3-CZ3 3.87Å
171	I	98.3	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.8	-173.4	-54.6	179	0	0	0	109.1	I144 Q145 F146 L169 E173 K177 W185 L229	I144-I171 HydrophobicContact CB-CD1 4.25Å; I144-I171 HydrophobicContact CD1-CD1 4.11Å; I144-I171 HydrophobicContact CG2-CD1 4.09Å; Q145-I171 PolarHBondContact O-N 3.37Å; F146-I171 HydrophobicContact CD2-CB 4.02Å; F146-I171 HydrophobicContact CD2-CG2 3.87Å; F146-I171 HydrophobicContact CE2-CG2 3.97Å; L169-I171 HydrophobicContact CD2-CD1 4.09Å; L169-I171 HydrophobicContact CD2-CG1 4.16Å; L169-I171 HydrophobicContact CG-CG1 4.22Å; I171-E173 PolarHBondContact O-N 3.38Å; I171-K177 WeakPolarHBondContact CA-O 3.39Å; I171-W185 PolarHBondContact O-NE1 2.87Å; I171-W185 VanDerWaalsContact O-NE1 3.15Å; I171-L229 HydrophobicContact CD1-CD1 3.86Å
172	C	98.2	Very high	93.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	24%	0.235	C	C	.	.			trans	-68.1	127.1	172	-178.2	0	0	0	0	109.8	Y174 C175 L176 K177 M179 C193	C172-Y174 PolarHBondContact O-N 3.01Å; C172-C175 VanDerWaalsContact CB-SG 3.58Å; C172-C175 VanDerWaalsContact SG-SG 3.65Å; C172-L176 WeakPolarHBondContact O-CA 3.41Å; C172-L176 PolarHBondContact O-N 2.86Å; C172-K177 PolarHBondContact N-O 2.98Å; C172-M179 HydrophobicContact CB-CE 4.42Å; C172-C193 VanDerWaalsContact SG-SG 3.65Å
173	E	97	Very high	94	Very high	36 Å²	36	50.8 Å²	50.8	17%	0.168	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.5	-178.6	69.2	-173.9	134.4	0	0	114	F146 I171 H260	F146-E173 HydrophobicContact CD1-CB 4.26Å; F146-E173 HydrophobicContact CE1-CB 3.88Å; F146-E173 HydrophobicContact CE2-CB 4.33Å; F146-E173 HydrophobicContact CZ-CB 3.91Å; I171-E173 PolarHBondContact O-N 3.38Å; E173-H260 IonicContact OE2-CE1 2.82Å; E173-H260 IonicContact OE2-CG 2.8Å; E173-H260 IonicContact OE2-ND1 3.06Å; E173-H260 PolarHBondContact OE2-ND1 3.24Å
174	Y	97.5	Very high	94.4	Very high	14 Å²	14	52.6 Å²	52.6	6%	0.055	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-52.7	-177.1	-55.9	-70.1	0	0	0	113.2	C172 A195 K196 Y222 H260	C172-Y174 PolarHBondContact O-N 3.01Å; Y174-A195 VanDerWaalsContact CB-O 3.26Å; Y174-A195 WeakPolarHBondContact CB-O 2.99Å; Y174-A195 WeakPolarHBondContact CD2-O 3.49Å; Y174-A195 VanDerWaalsContact CG-O 3.23Å; Y174-K196 VanDerWaalsContact CD1-C 3.46Å; Y174-K196 HydrophobicContact CE1-CD 4.4Å; Y174-K196 HydrophobicContact CE2-CD 4.36Å; Y174-Y222 VanDerWaalsContact O-CE2 3.31Å; Y174-Y222 WeakPolarHBondContact O-CE2 3.38Å; Y174-H260 AromaticContact CE1-CE1 3.96Å; Y174-H260 AromaticContact CZ-CE1 3.93Å; Y174-H260 PolarHBondContact OH-CE1 2.7Å
175	C	97.5	Very high	95.3	Very high	32 Å²	32	51 Å²	51	22%	0.216	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-4.6	-176.4	75	0	0	0	0	113.5	C172 K177 H188 A195	C172-C175 VanDerWaalsContact CB-SG 3.58Å; C172-C175 VanDerWaalsContact SG-SG 3.65Å; C175-K177 PolarHBondContact O-N 3.47Å; C175-K177 VanDerWaalsContact O-N 3.1Å; C175-K177 WeakPolarHBondContact SG-CB 3.32Å; C175-K177 PolarHBondContact SG-N 2.94Å; C175-H188 PolarHBondContact SG-NE2 2.72Å; C175-A195 HydrophobicContact CB-CB 4.37Å
176	L	98.4	Very high	96.1	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	23%	0.229	C	C	.	.			trans	61	12.4	-177.7	-48.9	-177.4	0	0	0	114.8	F146 C172 Y178 Y222 N225 L226 L229 L261	F146-L176 HydrophobicContact CE2-CD2 3.71Å; F146-L176 HydrophobicContact CZ-CD2 3.9Å; C172-L176 WeakPolarHBondContact O-CA 3.41Å; C172-L176 PolarHBondContact O-N 2.86Å; L176-Y178 PolarHBondContact O-N 2.84Å; L176-Y222 HydrophobicContact CD1-CD1 4.12Å; L176-Y222 HydrophobicContact CD1-CD2 4.27Å; L176-Y222 HydrophobicContact CD1-CE1 3.6Å; L176-Y222 HydrophobicContact CD1-CE2 3.79Å; L176-Y222 HydrophobicContact CD1-CG 4.43Å; L176-Y222 VanDerWaalsContact CD1-CZ 3.42Å; L176-Y222 HydrophobicContact CG-CD2 4.28Å; L176-Y222 HydrophobicContact CG-CE1 4.43Å; L176-Y222 HydrophobicContact CG-CE2 3.71Å; L176-N225 HydrophobicContact CB-CB 3.66Å; L176-N225 WeakPolarHBondContact O-CB 2.98Å; L176-N225 PolarHBondContact O-ND2 3.35Å; L176-L226 HydrophobicContact CD1-CB 3.69Å; L176-L226 HydrophobicContact CD1-CD1 3.92Å; L176-L226 HydrophobicContact CD1-CG 4.36Å; L176-L229 HydrophobicContact CD2-CD2 4.22Å; L176-L261 HydrophobicContact CD1-CD2 4.36Å; L176-L261 HydrophobicContact CD2-CD2 3.9Å
177	K	97.9	Very high	96.6	Very high	104 Å²	104	48.8 Å²	48.8	45%	0.452	24%	0.236	S	C	.	.			trans	-64	128.6	173.6	-172.6	178.5	-176.9	-177.3	0	109.7	I171 C172 C175 M179	I171-K177 WeakPolarHBondContact CA-O 3.39Å; C172-K177 PolarHBondContact N-O 2.98Å; C175-K177 PolarHBondContact O-N 3.47Å; C175-K177 VanDerWaalsContact O-N 3.1Å; C175-K177 WeakPolarHBondContact SG-CB 3.32Å; C175-K177 PolarHBondContact SG-N 2.94Å; K177-M179 WeakPolarHBondContact O-CE 3.11Å
178	Y	97.4	Very high	97	Very high	40 Å²	40	44.2 Å²	44.2	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	147.1	178.3	52.2	-93.8	0	0	0	111.8	Y159 P160 F163 W170 L176 N225 L228	Y159-Y178 AromaticContact CD1-CD1 3.9Å; Y159-Y178 HydrophobicContact CD1-CD1 3.9Å; Y159-Y178 AromaticContact CD1-CD2 3.91Å; Y159-Y178 HydrophobicContact CD1-CD2 3.91Å; Y159-Y178 AromaticContact CD1-CE1 3.95Å; Y159-Y178 HydrophobicContact CD1-CE1 3.95Å; Y159-Y178 AromaticContact CD1-CE2 3.99Å; Y159-Y178 HydrophobicContact CD1-CE2 3.99Å; Y159-Y178 AromaticContact CD1-CG 3.86Å; Y159-Y178 HydrophobicContact CD1-CG 3.86Å; Y159-Y178 AromaticContact CE1-CD1 3.49Å; Y159-Y178 HydrophobicContact CE1-CD1 3.49Å; Y159-Y178 VanDerWaalsContact CE1-CD1 3.49Å; Y159-Y178 HydrophobicContact CE1-CD2 4.15Å; Y159-Y178 AromaticContact CE1-CE1 3.9Å; Y159-Y178 HydrophobicContact CE1-CE1 3.9Å; Y159-Y178 AromaticContact CE1-CG 3.61Å; Y159-Y178 HydrophobicContact CE1-CG 3.61Å; P160-Y178 WeakPolarHBondContact CD-OH 3.16Å; P160-Y178 HydrophobicContact CG-CE2 4.45Å; P160-Y178 WeakPolarHBondContact CG-OH 3.4Å; F163-Y178 AromaticContact CD1-CD2 3.75Å; F163-Y178 HydrophobicContact CD1-CD2 3.75Å; F163-Y178 HydrophobicContact CD1-CE2 4.13Å; F163-Y178 HydrophobicContact CD2-CD2 4.13Å; F163-Y178 AromaticContact CD2-CE2 3.64Å; F163-Y178 HydrophobicContact CD2-CE2 3.64Å; F163-Y178 AromaticContact CE1-CD2 3.84Å; F163-Y178 HydrophobicContact CE1-CD2 3.84Å; F163-Y178 HydrophobicContact CE1-CE2 4.14Å; F163-Y178 HydrophobicContact CE2-CD2 4.22Å; F163-Y178 AromaticContact CE2-CE2 3.67Å; F163-Y178 HydrophobicContact CE2-CE2 3.67Å; F163-Y178 AromaticContact CG-CD2 3.91Å; F163-Y178 HydrophobicContact CG-CD2 3.91Å; F163-Y178 AromaticContact CG-CE2 3.9Å; F163-Y178 HydrophobicContact CG-CE2 3.9Å; F163-Y178 HydrophobicContact CZ-CD2 4.09Å; F163-Y178 AromaticContact CZ-CE2 3.93Å; F163-Y178 HydrophobicContact CZ-CE2 3.93Å; W170-Y178 CarbonylContact O-C 3.46Å; W170-Y178 WeakPolarHBondContact O-CA 3.32Å; L176-Y178 PolarHBondContact O-N 2.84Å; Y178-N225 WeakPolarHBondContact CE1-OD1 3.3Å; Y178-L228 HydrophobicContact CE1-CD1 3.9Å
179	M	97.1	Very high	97	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.039	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.8	-173	-72.2	158.2	-78.9	0	0	110.3	L169 W170 C172 K177 T184 W185 H188	L169-M179 WeakPolarHBondContact CD1-O 3.22Å; W170-M179 HydrophobicContact CB-CB 4.36Å; W170-M179 PolarHBondContact N-O 3.03Å; W170-M179 PolarHBondContact O-N 2.92Å; C172-M179 HydrophobicContact CB-CE 4.42Å; K177-M179 WeakPolarHBondContact O-CE 3.11Å; M179-T184 HydrophobicContact CB-CG2 4.48Å; M179-T184 HydrophobicContact CG-CG2 4.03Å; M179-T184 HydrophobicContact SD-CG2 4.05Å; M179-W185 HydrophobicContact CB-CB 4.45Å; M179-W185 HydrophobicContact CE-CB 4.05Å; M179-W185 HydrophobicContact CE-CG 4.18Å; M179-W185 WeakPolarHBondContact SD-CA 3.42Å; M179-W185 HydrophobicContact SD-CB 4.06Å; M179-H188 HydrophobicContact CE-CB 4.1Å; M179-H188 HydrophobicContact SD-CB 3.62Å
180	K	94.4	Very high	96.9	Very high	71 Å²	71	50.6 Å²	50.6	31%	0.309	25%	0.246	S	C	.	.	S	Bend	trans	-82.7	-32.9	-177.9	-55.9	-171	-160.2	-172.8	0	113.8	E162 F163 V166	E162-K180 VanDerWaalsContact CB-NZ 3.35Å; E162-K180 WeakPolarHBondContact O-CD 3.39Å; E162-K180 WeakPolarHBondContact O-CE 3.3Å; E162-K180 PolarHBondContact O-NZ 2.91Å; F163-K180 HydrophobicContact CD1-CD 4.31Å; F163-K180 HydrophobicContact CD1-CG 3.46Å; F163-K180 VanDerWaalsContact CD1-CG 3.46Å; F163-K180 HydrophobicContact CE1-CD 4.42Å; F163-K180 HydrophobicContact CE1-CG 3.57Å; F163-K180 HydrophobicContact CG-CG 4.43Å; V166-K180 HydrophobicContact CG1-CB 4.47Å; V166-K180 HydrophobicContact CG1-CD 4.33Å; V166-K180 HydrophobicContact CG1-CG 4.34Å
181	H	95	Very high	96.8	Very high	121 Å²	121	56.7 Å²	56.7	56%	0.56	27%	0.27	S	S	*	.	S	Bend	trans	-119.5	143.7	-169.5	-54.1	-57.1	0	0	0	111.1	E183 T184 W185	H181-E183 VanDerWaalsContact C-N 3.26Å; H181-E183 PolarHBondContact O-N 3.34Å; H181-T184 PolarHBondContact O-N 2.76Å; H181-W185 PolarHBondContact O-N 3.41Å; H181-W185 VanDerWaalsContact O-N 3.15Å
182	S	95.8	Very high	96.8	Very high	59 Å²	59	61.5 Å²	61.5	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-57.5	-40.3	177.1	54.3	0	0	0	0	112.1	W185 L186	S182-W185 PolarHBondContact O-N 2.93Å; S182-L186 WeakPolarHBondContact O-CB 3.28Å; S182-L186 PolarHBondContact O-N 2.9Å
183	E	96.7	Very high	96.7	Very high	116 Å²	116	62.4 Å²	62.4	54%	0.542	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-45.3	-179.2	-167.8	64.7	-164.7	0	0	111.7	H181 W185 L186 N187	H181-E183 VanDerWaalsContact C-N 3.26Å; H181-E183 PolarHBondContact O-N 3.34Å; E183-W185 VanDerWaalsContact C-N 3.33Å; E183-W185 PolarHBondContact O-N 2.99Å; E183-L186 PolarHBondContact O-N 3.45Å; E183-N187 WeakPolarHBondContact O-CB 3.42Å; E183-N187 PolarHBondContact O-N 2.84Å; E183-N187 PolarHBondContact O-ND2 2.93Å
184	T	97.1	Very high	96.6	Very high	70 Å²	70	69.8 Å²	69.8	43%	0.429	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-41.2	176.2	-47.3	0	0	0	0	111.1	M179 H181 H188	M179-T184 HydrophobicContact CB-CG2 4.48Å; M179-T184 HydrophobicContact CG-CG2 4.03Å; M179-T184 HydrophobicContact SD-CG2 4.05Å; H181-T184 PolarHBondContact O-N 2.76Å; T184-H188 VanDerWaalsContact O-CB 3.28Å; T184-H188 WeakPolarHBondContact O-CB 3.32Å; T184-H188 PolarHBondContact O-N 3.47Å
185	W	97.3	Very high	96.5	Very high	33 Å²	33	70.8 Å²	70.8	13%	0.125	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-41	176.1	174.1	88	0	0	0	112.9	Q145 W170 I171 M179 H181 S182 E183 H188 I189	Q145-W185 HydrophobicContact CG-CH2 4.08Å; Q145-W185 HydrophobicContact CG-CZ2 3.88Å; W170-W185 HydrophobicContact CB-CB 3.63Å; W170-W185 HydrophobicContact CB-CD2 4.48Å; W170-W185 HydrophobicContact CB-CG 3.71Å; W170-W185 HydrophobicContact CD2-CB 4.47Å; W170-W185 HydrophobicContact CE3-CB 4.36Å; W170-W185 AromaticContact CE3-CD2 3.64Å; W170-W185 HydrophobicContact CE3-CD2 3.64Å; W170-W185 AromaticContact CE3-CE3 3.54Å; W170-W185 HydrophobicContact CE3-CE3 3.54Å; W170-W185 HydrophobicContact CE3-CG 4.04Å; W170-W185 HydrophobicContact CE3-CZ3 4.01Å; W170-W185 HydrophobicContact CG-CB 4.2Å; W170-W185 HydrophobicContact CG-CG 4.43Å; W170-W185 HydrophobicContact CZ3-CD2 4.35Å; W170-W185 AromaticContact CZ3-CE3 3.82Å; W170-W185 HydrophobicContact CZ3-CE3 3.82Å; W170-W185 HydrophobicContact CZ3-CH2 4.45Å; W170-W185 AromaticContact CZ3-CZ3 3.87Å; W170-W185 HydrophobicContact CZ3-CZ3 3.87Å; I171-W185 PolarHBondContact O-NE1 2.87Å; I171-W185 VanDerWaalsContact O-NE1 3.15Å; M179-W185 HydrophobicContact CB-CB 4.45Å; M179-W185 HydrophobicContact CE-CB 4.05Å; M179-W185 HydrophobicContact CE-CG 4.18Å; M179-W185 WeakPolarHBondContact SD-CA 3.42Å; M179-W185 HydrophobicContact SD-CB 4.06Å; H181-W185 PolarHBondContact O-N 3.41Å; H181-W185 VanDerWaalsContact O-N 3.15Å; S182-W185 PolarHBondContact O-N 2.93Å; E183-W185 VanDerWaalsContact C-N 3.33Å; E183-W185 PolarHBondContact O-N 2.99Å; W185-H188 WeakPolarHBondContact O-CB 3.48Å; W185-H188 PolarHBondContact O-N 3.38Å; W185-I189 HydrophobicContact CD2-CD1 3.69Å; W185-I189 HydrophobicContact CE3-CD1 4.19Å; W185-I189 HydrophobicContact CG-CD1 4.3Å; W185-I189 HydrophobicContact CH2-CD1 3.81Å; W185-I189 HydrophobicContact CZ2-CD1 3.26Å; W185-I189 HydrophobicContact CZ3-CD1 4.24Å; W185-I189 WeakPolarHBondContact O-CG1 3.33Å; W185-I189 PolarHBondContact O-N 2.84Å
186	L	96.7	Very high	96.4	Very high	62 Å²	62	74.4 Å²	74.4	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-66	-44.3	177.7	-170.5	68	0	0	0	111.3	S182 E183 H188 I189 K190	S182-L186 WeakPolarHBondContact O-CB 3.28Å; S182-L186 PolarHBondContact O-N 2.9Å; E183-L186 PolarHBondContact O-N 3.45Å; L186-H188 VanDerWaalsContact C-N 3.32Å; L186-I189 PolarHBondContact O-N 2.8Å; L186-K190 HydrophobicContact CD1-CD 4.45Å; L186-K190 HydrophobicContact CG-CD 4.15Å; L186-K190 WeakPolarHBondContact O-CB 3.47Å; L186-K190 VanDerWaalsContact O-CG 3.31Å; L186-K190 WeakPolarHBondContact O-CG 3.28Å; L186-K190 PolarHBondContact O-N 2.81Å
187	N	97.7	Very high	96.4	Very high	60 Å²	60	81.3 Å²	81.3	32%	0.321	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-41.3	174.7	-72.9	-28	0	0	0	111.2	E183 I189 K190 Y191	E183-N187 WeakPolarHBondContact O-CB 3.42Å; E183-N187 PolarHBondContact O-N 2.84Å; E183-N187 PolarHBondContact O-ND2 2.93Å; N187-I189 PolarHBondContact O-N 2.83Å; N187-K190 PolarHBondContact O-N 3.02Å; N187-Y191 HydrophobicContact CB-CD2 4.35Å; N187-Y191 PolarHBondContact O-N 2.99Å
188	H	97.9	Very high	96.4	Very high	10 Å²	10	76.6 Å²	76.6	5%	0.046	37%	0.365	C	S	.	.	I	π-helix	trans	-59.8	-47.3	175.9	176.9	68.1	0	0	0	112.4	C175 M179 T184 W185 L186 K190 D192 C193	C175-H188 PolarHBondContact SG-NE2 2.72Å; M179-H188 HydrophobicContact CE-CB 4.1Å; M179-H188 HydrophobicContact SD-CB 3.62Å; T184-H188 VanDerWaalsContact O-CB 3.28Å; T184-H188 WeakPolarHBondContact O-CB 3.32Å; T184-H188 PolarHBondContact O-N 3.47Å; W185-H188 WeakPolarHBondContact O-CB 3.48Å; W185-H188 PolarHBondContact O-N 3.38Å; L186-H188 VanDerWaalsContact C-N 3.32Å; H188-K190 VanDerWaalsContact C-N 3.33Å; H188-K190 PolarHBondContact O-N 3.3Å; H188-D192 WeakPolarHBondContact CA-OD2 3.24Å; H188-D192 IonicContact ND1-OD2 3.07Å; H188-D192 PolarHBondContact O-N 2.69Å; H188-D192 VanDerWaalsContact O-N 3.11Å; H188-C193 WeakPolarHBondContact NE2-CB 3.3Å; H188-C193 VanDerWaalsContact O-CB 3.29Å; H188-C193 WeakPolarHBondContact O-CB 3.45Å; H188-C193 PolarHBondContact O-N 2.89Å
189	I	94.6	Very high	96.4	Very high	56 Å²	56	77 Å²	77	29%	0.287	37%	0.373	S	S	.	.	I	π-helix	trans	-66.1	-36	179.3	-71.7	174.1	0	0	0	112.1	W185 L186 N187	W185-I189 HydrophobicContact CD2-CD1 3.69Å; W185-I189 HydrophobicContact CE3-CD1 4.19Å; W185-I189 HydrophobicContact CG-CD1 4.3Å; W185-I189 HydrophobicContact CH2-CD1 3.81Å; W185-I189 HydrophobicContact CZ2-CD1 3.26Å; W185-I189 HydrophobicContact CZ3-CD1 4.24Å; W185-I189 WeakPolarHBondContact O-CG1 3.33Å; W185-I189 PolarHBondContact O-N 2.84Å; L186-I189 PolarHBondContact O-N 2.8Å; N187-I189 PolarHBondContact O-N 2.83Å
190	K	94.3	Very high	96.4	Very high	123 Å²	123	78.3 Å²	78.3	54%	0.535	39%	0.388	S	S	.	.	I	π-helix	trans	-81	-37.9	-175.8	-74.1	178.9	178.8	177.6	0	113.6	L186 N187 H188	L186-K190 HydrophobicContact CD1-CD 4.45Å; L186-K190 HydrophobicContact CG-CD 4.15Å; L186-K190 WeakPolarHBondContact O-CB 3.47Å; L186-K190 VanDerWaalsContact O-CG 3.31Å; L186-K190 WeakPolarHBondContact O-CG 3.28Å; L186-K190 PolarHBondContact O-N 2.81Å; N187-K190 PolarHBondContact O-N 3.02Å; H188-K190 VanDerWaalsContact C-N 3.33Å; H188-K190 PolarHBondContact O-N 3.3Å
191	Y	96.4	Very high	96.5	Very high	173 Å²	173	79.8 Å²	79.8	68%	0.678	40%	0.395	S	S	*	.	I	π-helix	trans	-126.8	-30.2	-164.5	-52.1	-60.6	0	0	0	114.1	N187	N187-Y191 HydrophobicContact CB-CD2 4.35Å; N187-Y191 PolarHBondContact O-N 2.99Å
192	D	97.2	Very high	96.7	Very high	101 Å²	101	77.6 Å²	77.6	54%	0.54	39%	0.385	S	S	.	.	I	π-helix	trans	-100.5	-35.9	-171.6	-53.7	-23.3	0	0	0	113.5	H188 E194	H188-D192 WeakPolarHBondContact CA-OD2 3.24Å; H188-D192 IonicContact ND1-OD2 3.07Å; H188-D192 PolarHBondContact O-N 2.69Å; H188-D192 VanDerWaalsContact O-N 3.11Å; D192-E194 PolarHBondContact O-N 3.39Å
193	C	96.5	Very high	96.8	Very high	19 Å²	19	74.8 Å²	74.8	13%	0.128	37%	0.365	C	S	.	.			trans	-91.2	104.1	-170.2	-163	0	0	0	0	111.5	C172 H188 A195	C172-C193 VanDerWaalsContact SG-SG 3.65Å; H188-C193 WeakPolarHBondContact NE2-CB 3.3Å; H188-C193 VanDerWaalsContact O-CB 3.29Å; H188-C193 WeakPolarHBondContact O-CB 3.45Å; H188-C193 PolarHBondContact O-N 2.89Å; C193-A195 VanDerWaalsContact C-N 3.32Å
194	E	95.2	Very high	96.8	Very high	192 Å²	192	69.5 Å²	69.5	90%	0.897	34%	0.34	S	S	*	.			trans	-82.9	-11.4	173.9	-60.1	-178.4	170	0	0	112.9	D192	D192-E194 PolarHBondContact O-N 3.39Å
195	A	95.7	Very high	96.8	Very high	35 Å²	35	69.5 Å²	69.5	29%	0.289	34%	0.338	S	S	.	.			trans	-72.3	133.6	-176.8	0	0	0	0	0	111.8	Y174 C175 C193	Y174-A195 VanDerWaalsContact CB-O 3.26Å; Y174-A195 WeakPolarHBondContact CB-O 2.99Å; Y174-A195 WeakPolarHBondContact CD2-O 3.49Å; Y174-A195 VanDerWaalsContact CG-O 3.23Å; C175-A195 HydrophobicContact CB-CB 4.37Å; C193-A195 VanDerWaalsContact C-N 3.32Å
196	K	96.1	Very high	96.7	Very high	107 Å²	107	70.3 Å²	70.3	47%	0.465	34%	0.343	S	S	.	.	S	Bend	trans	-124.7	5.6	173.1	-64.2	-63.2	-177	179.4	0	113.8	Y174 V259	Y174-K196 VanDerWaalsContact CD1-C 3.46Å; Y174-K196 HydrophobicContact CE1-CD 4.4Å; Y174-K196 HydrophobicContact CE2-CD 4.36Å; K196-V259 PolarHBondContact O-N 3.03Å
197	R	97	Very high	96.4	Very high	148 Å²	148	74 Å²	74	56%	0.558	36%	0.358	S	S	*	.	S	Bend	trans	-159.2	161.7	178.1	63	178.8	-176.1	174.6	0.9	110.4	F212 V259	R197-F212 HydrophobicContact CB-CZ 4.42Å; R197-V259 HydrophobicContact CB-CB 3.59Å; R197-V259 HydrophobicContact CB-CG1 4.24Å; R197-V259 HydrophobicContact CB-CG2 3.78Å
198	P	97.8	Very high	96.2	Very high	4 Å²	4	73.7 Å²	73.7	3%	0.026	36%	0.357	C	S	.	.			trans	-57.7	152.2	169.8	-22.7	33.1	0	0	0	112.1	F212 Y222 V250 C252	P198-F212 HydrophobicContact CB-CB 4.33Å; P198-F212 HydrophobicContact CB-CD2 4.25Å; P198-F212 HydrophobicContact CB-CG 4.18Å; P198-F212 HydrophobicContact CG-CD2 4.09Å; P198-Y222 HydrophobicContact CB-CE2 4.49Å; P198-V250 HydrophobicContact CB-CG1 4.22Å; P198-V250 HydrophobicContact CG-CG1 3.84Å; P198-C252 WeakPolarHBondContact CG-SG 3.5Å
199	P	97.9	Very high	96.2	Very high	49 Å²	49	73.5 Å²	73.5	32%	0.318	36%	0.356	S	S	.	.	S	Bend	trans	-72.7	-179.5	168.9	35.3	-36.5	0	0	0	110.5	L214 Q219 Y222	P199-L214 HydrophobicContact CG-CD2 3.85Å; P199-L214 HydrophobicContact CG-CG 4.41Å; P199-L214 WeakPolarHBondContact O-CD1 3.35Å; P199-L214 WeakPolarHBondContact O-CG 3.49Å; P199-Q219 HydrophobicContact CB-CG 3.86Å; P199-Q219 HydrophobicContact CG-CB 4.22Å; P199-Q219 HydrophobicContact CG-CG 3.86Å; P199-Y222 VanDerWaalsContact CD-CE2 3.41Å; P199-Y222 HydrophobicContact CG-CD1 4.18Å; P199-Y222 HydrophobicContact CG-CD2 3.76Å; P199-Y222 HydrophobicContact CG-CE2 4.27Å; P199-Y222 HydrophobicContact CG-CG 3.69Å
200	G	97.2	Very high	96.3	Very high	35 Å²	35	70.8 Å²	70.8	36%	0.361	34%	0.342	S	S	.	.	S	Bend	trans	93.9	-169.6	177.9	0	0	0	0	0	113.3	E213	G200-E213 CarbonylContact C-O 3.54Å; G200-E213 WeakPolarHBondContact CA-O 3.04Å
201	K	97.4	Very high	96.5	Very high	103 Å²	103	65 Å²	65	45%	0.448	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.6	-176.5	-178.9	-175.7	174.1	-171.2	0	109.5	I203 F212 E213	K201-I203 HydrophobicContact CD-CG2 4.31Å; K201-I203 HydrophobicContact CG-CG2 4.23Å; K201-I203 PolarHBondContact O-N 3.45Å; K201-F212 CarbonylContact O-C 3.57Å; K201-F212 VanDerWaalsContact O-CA 3.31Å; K201-F212 WeakPolarHBondContact O-CA 3.47Å; K201-E213 PolarHBondContact N-O 3.15Å; K201-E213 PolarHBondContact O-N 2.9Å
202	E	97.9	Very high	96.6	Very high	74 Å²	74	56.8 Å²	56.8	35%	0.346	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121	169.1	-171.7	-179.7	109.8	0	0	109.4	N205 F212	E202-N205 VanDerWaalsContact OE1-CB 3.3Å; E202-N205 WeakPolarHBondContact OE1-CB 3.39Å; E202-N205 PolarHBondContact OE1-ND2 3.3Å; E202-F212 HydrophobicContact CB-CD1 4.17Å; E202-F212 HydrophobicContact CB-CE1 3.82Å; E202-F212 HydrophobicContact CB-CZ 4.23Å; E202-F212 HydrophobicContact CG-CE1 4.36Å; E202-F212 HydrophobicContact CG-CZ 4.28Å
203	I	97.9	Very high	96.7	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-15.6	-177.5	66.1	161.6	0	0	0	112.6	K201 V211 E213 Y249 L426 K427	K201-I203 HydrophobicContact CD-CG2 4.31Å; K201-I203 HydrophobicContact CG-CG2 4.23Å; K201-I203 PolarHBondContact O-N 3.45Å; I203-V211 HydrophobicContact CD1-CG1 4.17Å; I203-V211 HydrophobicContact CG1-CB 4.09Å; I203-V211 HydrophobicContact CG1-CG1 4.07Å; I203-V211 WeakPolarHBondContact CG1-O 3.3Å; I203-V211 PolarHBondContact N-O 3.08Å; I203-E213 HydrophobicContact CD1-CB 4.45Å; I203-E213 HydrophobicContact CG2-CB 3.68Å; I203-Y249 HydrophobicContact CD1-CD1 3.57Å; I203-Y249 HydrophobicContact CD1-CE1 3.74Å; I203-L426 HydrophobicContact CD1-CD1 4.11Å; I203-L426 HydrophobicContact CG1-CD1 4.38Å; I203-K427 PolarHBondContact O-N 2.96Å
204	Y	98.2	Very high	96.8	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.8	179.3	-178.4	-90.2	0	0	0	109.3	H206 L209 C210 V211 F294 L421 D422 R425 L426	Y204-H206 HydrophobicContact CE1-CB 3.71Å; Y204-H206 VanDerWaalsContact OH-CB 3.3Å; Y204-H206 WeakPolarHBondContact OH-CB 3.21Å; Y204-L209 HydrophobicContact CE1-CB 4.47Å; Y204-C210 CarbonylContact O-C 3.55Å; Y204-C210 WeakPolarHBondContact O-CA 3.39Å; Y204-C210 VanDerWaalsContact O-CB 3.28Å; Y204-C210 WeakPolarHBondContact O-CB 3.29Å; Y204-V211 HydrophobicContact CD1-CG2 4.2Å; Y204-V211 HydrophobicContact CG-CG2 4.34Å; Y204-V211 PolarHBondContact N-O 3.47Å; Y204-V211 PolarHBondContact O-N 2.96Å; Y204-F294 AromaticContact CD1-CZ 3.96Å; Y204-F294 HydrophobicContact CD1-CZ 3.96Å; Y204-F294 HydrophobicContact CE1-CE2 4.05Å; Y204-F294 AromaticContact CE1-CZ 3.69Å; Y204-F294 HydrophobicContact CE1-CZ 3.69Å; Y204-F294 HydrophobicContact CG-CZ 4.49Å; Y204-L421 HydrophobicContact CD2-CD1 3.8Å; Y204-L421 HydrophobicContact CE2-CD1 3.47Å; Y204-L421 VanDerWaalsContact CE2-CD1 3.47Å; Y204-L421 HydrophobicContact CE2-CG 4.49Å; Y204-D422 WeakPolarHBondContact CE2-O 3.33Å; Y204-D422 PolarHBondContact OH-N 3.44Å; Y204-R425 HydrophobicContact CD2-CB 4.06Å; Y204-R425 HydrophobicContact CE2-CB 3.66Å; Y204-L426 HydrophobicContact CD2-CB 4.46Å
205	N	95.9	Very high	96.9	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	115.5	175	-169.3	-36.1	0	0	0	109.8	E202 L209	E202-N205 VanDerWaalsContact OE1-CB 3.3Å; E202-N205 WeakPolarHBondContact OE1-CB 3.39Å; E202-N205 PolarHBondContact OE1-ND2 3.3Å; N205-L209 WeakPolarHBondContact CA-O 3.44Å
206	H	94.6	Very high	97	Very high	51 Å²	51	44.8 Å²	44.8	24%	0.236	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	129.2	178.8	-170.7	52.5	0	0	0	110.9	Y204 N208 L209 R425	Y204-H206 HydrophobicContact CE1-CB 3.71Å; Y204-H206 VanDerWaalsContact OH-CB 3.3Å; Y204-H206 WeakPolarHBondContact OH-CB 3.21Å; H206-N208 PolarHBondContact O-N 3.5Å; H206-N208 VanDerWaalsContact O-N 3.13Å; H206-L209 PolarHBondContact N-O 3.29Å; H206-L209 PolarHBondContact O-N 3.23Å; H206-R425 HydrophobicContact CB-CB 4.26Å; H206-R425 HydrophobicContact CB-CG 4.03Å
207	E	91.3	Very high	97	Very high	138 Å²	138	44.4 Å²	44.4	65%	0.645	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	-113	-176.5	-57.6	-174.1	161.4	0	0	111.7
208	N	93.6	Very high	97	Very high	55 Å²	55	42.3 Å²	42.3	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	13.4	178.5	70.6	-42	0	0	0	112.8	H206 E253 I254	H206-N208 PolarHBondContact O-N 3.5Å; H206-N208 VanDerWaalsContact O-N 3.13Å; N208-E253 CarbonylContact O-C 3.57Å; N208-E253 VanDerWaalsContact O-CA 3.32Å; N208-E253 WeakPolarHBondContact O-CA 3.38Å; N208-I254 PolarHBondContact O-N 3.01Å
209	L	96.9	Very high	97	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	139.2	179.5	-64.7	-175.7	0	0	0	112	Y204 N205 H206 L251 C252 E253 Y291 F294 F419	Y204-L209 HydrophobicContact CE1-CB 4.47Å; N205-L209 WeakPolarHBondContact CA-O 3.44Å; H206-L209 PolarHBondContact N-O 3.29Å; H206-L209 PolarHBondContact O-N 3.23Å; L209-L251 HydrophobicContact CB-CD1 4.45Å; L209-L251 HydrophobicContact CD2-CD1 4.36Å; L209-C252 WeakPolarHBondContact CA-O 3.41Å; L209-E253 HydrophobicContact CD2-CG 3.91Å; L209-Y291 HydrophobicContact CD1-CE1 4.12Å; L209-Y291 HydrophobicContact CD2-CE1 3.82Å; L209-F294 HydrophobicContact CD1-CE2 4.35Å; L209-F419 HydrophobicContact CD1-CB 3.73Å; L209-F419 HydrophobicContact CD1-CD1 3.38Å; L209-F419 HydrophobicContact CD1-CE1 4.08Å; L209-F419 HydrophobicContact CD1-CG 3.64Å; L209-F419 HydrophobicContact CG-CD1 4Å; L209-F419 HydrophobicContact CG-CE1 4.23Å
210	C	97.5	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.4	169.3	56.8	0	0	0	0	111.8	Y204 F212 C252 I254 V259	Y204-C210 CarbonylContact O-C 3.55Å; Y204-C210 WeakPolarHBondContact O-CA 3.39Å; Y204-C210 VanDerWaalsContact O-CB 3.28Å; Y204-C210 WeakPolarHBondContact O-CB 3.29Å; C210-F212 HydrophobicContact CB-CE2 4.3Å; C210-C252 PolarHBondContact N-O 3.42Å; C210-C252 VanDerWaalsContact N-O 3.12Å; C210-C252 PolarHBondContact O-N 2.96Å; C210-I254 HydrophobicContact CB-CD1 3.95Å; C210-I254 HydrophobicContact CB-CG1 4.42Å; C210-I254 VanDerWaalsContact SG-CG1 3.58Å; C210-V259 WeakPolarHBondContact SG-CG1 3.43Å
211	V	98.6	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.2	175.7	-174.1	0	0	0	0	110.2	I203 Y204 V250 L251 F294 L298	I203-V211 HydrophobicContact CD1-CG1 4.17Å; I203-V211 HydrophobicContact CG1-CB 4.09Å; I203-V211 HydrophobicContact CG1-CG1 4.07Å; I203-V211 WeakPolarHBondContact CG1-O 3.3Å; I203-V211 PolarHBondContact N-O 3.08Å; Y204-V211 HydrophobicContact CD1-CG2 4.2Å; Y204-V211 HydrophobicContact CG-CG2 4.34Å; Y204-V211 PolarHBondContact N-O 3.47Å; Y204-V211 PolarHBondContact O-N 2.96Å; V211-V250 CarbonylContact C-O 3.55Å; V211-V250 VanDerWaalsContact CA-O 3.29Å; V211-V250 WeakPolarHBondContact CA-O 3.11Å; V211-L251 HydrophobicContact CG2-CD1 3.9Å; V211-F294 HydrophobicContact CG2-CE1 3.8Å; V211-F294 HydrophobicContact CG2-CZ 4.25Å; V211-L298 HydrophobicContact CB-CD2 4.39Å; V211-L298 HydrophobicContact CG1-CD2 3.86Å; V211-L298 HydrophobicContact CG2-CD2 4.06Å
212	F	98.7	Very high	97.1	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.2	173.8	-67.8	-97.8	0	0	0	110.8	R197 P198 K201 E202 C210 L214 Y249 V250 V259	R197-F212 HydrophobicContact CB-CZ 4.42Å; P198-F212 HydrophobicContact CB-CB 4.33Å; P198-F212 HydrophobicContact CB-CD2 4.25Å; P198-F212 HydrophobicContact CB-CG 4.18Å; P198-F212 HydrophobicContact CG-CD2 4.09Å; K201-F212 CarbonylContact O-C 3.57Å; K201-F212 VanDerWaalsContact O-CA 3.31Å; K201-F212 WeakPolarHBondContact O-CA 3.47Å; E202-F212 HydrophobicContact CB-CD1 4.17Å; E202-F212 HydrophobicContact CB-CE1 3.82Å; E202-F212 HydrophobicContact CB-CZ 4.23Å; E202-F212 HydrophobicContact CG-CE1 4.36Å; E202-F212 HydrophobicContact CG-CZ 4.28Å; C210-F212 HydrophobicContact CB-CE2 4.3Å; F212-L214 HydrophobicContact CB-CD1 3.6Å; F212-Y249 CarbonylContact O-C 3.58Å; F212-Y249 WeakPolarHBondContact O-CA 3.36Å; F212-V250 HydrophobicContact CB-CB 4.42Å; F212-V250 PolarHBondContact N-O 2.83Å; F212-V250 PolarHBondContact O-N 3.32Å; F212-V259 HydrophobicContact CE2-CG1 3.91Å
213	E	98.5	Very high	97.1	Very high	46 Å²	46	43.1 Å²	43.1	22%	0.215	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.6	168.1	-178.7	-176.5	71.2	0	0	109.6	G200 K201 I203 I247 F248 Y249 W428	G200-E213 CarbonylContact C-O 3.54Å; G200-E213 WeakPolarHBondContact CA-O 3.04Å; K201-E213 PolarHBondContact N-O 3.15Å; K201-E213 PolarHBondContact O-N 2.9Å; I203-E213 HydrophobicContact CD1-CB 4.45Å; I203-E213 HydrophobicContact CG2-CB 3.68Å; E213-I247 HydrophobicContact CG-CG2 3.6Å; E213-F248 WeakPolarHBondContact CA-O 3.13Å; E213-Y249 HydrophobicContact CB-CD1 4.34Å; E213-Y249 HydrophobicContact CB-CE1 4.23Å; E213-Y249 HydrophobicContact CG-CD1 4.45Å; E213-Y249 HydrophobicContact CG-CE1 3.98Å; E213-Y249 PolarHBondContact OE2-OH 2.71Å; E213-W428 PolarHBondContact OE2-NE1 3.45Å
214	L	98.3	Very high	97.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134	178.4	-70.3	67.4	0	0	0	109.2	P199 F212 Q219 Y222 I247 F248 V250	P199-L214 HydrophobicContact CG-CD2 3.85Å; P199-L214 HydrophobicContact CG-CG 4.41Å; P199-L214 WeakPolarHBondContact O-CD1 3.35Å; P199-L214 WeakPolarHBondContact O-CG 3.49Å; F212-L214 HydrophobicContact CB-CD1 3.6Å; L214-Q219 HydrophobicContact CB-CB 4.49Å; L214-Q219 HydrophobicContact CD2-CB 4.37Å; L214-Q219 HydrophobicContact CG-CG 4.46Å; L214-Y222 HydrophobicContact CD2-CD1 3.23Å; L214-Y222 HydrophobicContact CD2-CE1 3.49Å; L214-Y222 VanDerWaalsContact CD2-CE1 3.49Å; L214-Y222 HydrophobicContact CD2-CG 4.09Å; L214-I247 CarbonylContact O-C 3.42Å; L214-I247 WeakPolarHBondContact O-CA 3.25Å; L214-F248 HydrophobicContact CB-CB 4.24Å; L214-F248 PolarHBondContact N-O 3.46Å; L214-F248 PolarHBondContact O-N 3.29Å; L214-V250 HydrophobicContact CD1-CB 4.21Å; L214-V250 HydrophobicContact CD1-CG2 3.84Å; L214-V250 HydrophobicContact CD2-CG2 4.28Å
215	D	97.7	Very high	97.1	Very high	48 Å²	48	45.1 Å²	45.1	26%	0.257	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	118.6	169.9	-177.6	-40	0	0	0	108.5	N217 V218 Q219 I247 K269	D215-N217 PolarHBondContact O-N 3.34Å; D215-N217 WeakPolarHBondContact OD1-CA 2.96Å; D215-N217 WeakPolarHBondContact OD1-CB 3.35Å; D215-N217 PolarHBondContact OD1-N 3.18Å; D215-V218 HydrophobicContact CB-CB 4.1Å; D215-V218 HydrophobicContact CB-CG2 3.93Å; D215-V218 PolarHBondContact O-N 2.8Å; D215-V218 PolarHBondContact OD1-N 3.28Å; D215-Q219 PolarHBondContact O-N 3.48Å; D215-Q219 PolarHBondContact O-OE1 2.81Å; D215-I247 HydrophobicContact CB-CD1 4.08Å; D215-K269 WeakPolarHBondContact OD1-CE 3.28Å; D215-K269 IonicContact OD1-NZ 3.74Å; D215-K269 PolarHBondContact OD1-NZ 2.79Å; D215-K269 WeakPolarHBondContact OD2-CE 3.48Å; D215-K269 IonicContact OD2-NZ 3.94Å; D215-K269 PolarHBondContact OD2-NZ 3.36Å
216	G	97.2	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20	-179.4	0	0	0	0	0	114.7	K220 V243 F246	G216-K220 VanDerWaalsContact O-CA 3.29Å; G216-K220 WeakPolarHBondContact O-CA 3.33Å; G216-V243 WeakPolarHBondContact CA-O 3.2Å; G216-V243 VanDerWaalsContact O-CG2 3.3Å; G216-V243 WeakPolarHBondContact O-CG2 3.42Å; G216-F246 PolarHBondContact N-O 2.93Å
217	N	96.3	Very high	97.3	Very high	100 Å²	100	39.5 Å²	39.5	54%	0.535	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-29.5	173.4	-164.6	59.8	0	0	0	112.8	D215 S244	D215-N217 PolarHBondContact O-N 3.34Å; D215-N217 WeakPolarHBondContact OD1-CA 2.96Å; D215-N217 WeakPolarHBondContact OD1-CB 3.35Å; D215-N217 PolarHBondContact OD1-N 3.18Å; N217-S244 PolarHBondContact OD1-OG 3.09Å
218	V	97.9	Very high	97.6	Very high	103 Å²	103	33 Å²	33	62%	0.624	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-53.9	179.7	-179.2	0	0	0	0	110.6	D215 K220	D215-V218 HydrophobicContact CB-CB 4.1Å; D215-V218 HydrophobicContact CB-CG2 3.93Å; D215-V218 PolarHBondContact O-N 2.8Å; D215-V218 PolarHBondContact OD1-N 3.28Å; V218-K220 VanDerWaalsContact C-N 3.28Å; V218-K220 PolarHBondContact O-N 3.47Å
219	Q	98.1	Very high	97.8	Very high	43 Å²	43	30.5 Å²	30.5	20%	0.201	16%	0.156	C	C	.	.	S	Bend	trans	-92.6	44.2	179.3	-63.9	83.9	13.5	0	0	112.3	P199 L214 D215 L221 Y222 C223	P199-Q219 HydrophobicContact CB-CG 3.86Å; P199-Q219 HydrophobicContact CG-CB 4.22Å; P199-Q219 HydrophobicContact CG-CG 3.86Å; L214-Q219 HydrophobicContact CB-CB 4.49Å; L214-Q219 HydrophobicContact CD2-CB 4.37Å; L214-Q219 HydrophobicContact CG-CG 4.46Å; D215-Q219 PolarHBondContact O-N 3.48Å; D215-Q219 PolarHBondContact O-OE1 2.81Å; Q219-L221 PolarHBondContact O-N 2.91Å; Q219-Y222 PolarHBondContact O-N 3.12Å; Q219-Y222 VanDerWaalsContact O-N 3.15Å; Q219-C223 PolarHBondContact O-N 3.24Å; Q219-C223 PolarHBondContact O-SG 3.06Å
220	K	97.4	Very high	97.8	Very high	104 Å²	104	30.2 Å²	30.2	45%	0.452	15%	0.154	S	C	.	.	H	α-helix	trans	-50.8	-51.4	-168.6	-173.8	170	-177.8	174.2	0	114.3	G216 V218 Y222 C223 Q224 V243	G216-K220 VanDerWaalsContact O-CA 3.29Å; G216-K220 WeakPolarHBondContact O-CA 3.33Å; V218-K220 VanDerWaalsContact C-N 3.28Å; V218-K220 PolarHBondContact O-N 3.47Å; K220-Y222 PolarHBondContact O-N 3.22Å; K220-C223 PolarHBondContact O-N 3.14Å; K220-Q224 HydrophobicContact CG-CG 4.45Å; K220-Q224 WeakPolarHBondContact O-CB 3.48Å; K220-Q224 VanDerWaalsContact O-CG 3.26Å; K220-Q224 WeakPolarHBondContact O-CG 3.37Å; K220-Q224 PolarHBondContact O-N 3.12Å; K220-V243 HydrophobicContact CG-CG2 4Å
221	L	97.2	Very high	97.6	Very high	119 Å²	119	30.3 Å²	30.3	62%	0.623	16%	0.155	S	C	*	.	H	α-helix	trans	-62.8	-43.9	-177.8	179.8	60.9	0	0	0	112.2	Q219 Q224 N225	Q219-L221 PolarHBondContact O-N 2.91Å; L221-Q224 PolarHBondContact O-N 2.94Å; L221-N225 WeakPolarHBondContact O-CB 3.43Å; L221-N225 VanDerWaalsContact O-CG 3.23Å; L221-N225 PolarHBondContact O-N 2.84Å; L221-N225 PolarHBondContact O-ND2 3.01Å
222	Y	98.5	Very high	97.5	Very high	17 Å²	17	30.3 Å²	30.3	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-46.6	178.6	-173.5	-82.3	0	0	0	111	Y174 L176 P198 P199 L214 Q219 K220 Q224 N225 L226 V250	Y174-Y222 VanDerWaalsContact O-CE2 3.31Å; Y174-Y222 WeakPolarHBondContact O-CE2 3.38Å; L176-Y222 HydrophobicContact CD1-CD1 4.12Å; L176-Y222 HydrophobicContact CD1-CD2 4.27Å; L176-Y222 HydrophobicContact CD1-CE1 3.6Å; L176-Y222 HydrophobicContact CD1-CE2 3.79Å; L176-Y222 HydrophobicContact CD1-CG 4.43Å; L176-Y222 VanDerWaalsContact CD1-CZ 3.42Å; L176-Y222 HydrophobicContact CG-CD2 4.28Å; L176-Y222 HydrophobicContact CG-CE1 4.43Å; L176-Y222 HydrophobicContact CG-CE2 3.71Å; P198-Y222 HydrophobicContact CB-CE2 4.49Å; P199-Y222 VanDerWaalsContact CD-CE2 3.41Å; P199-Y222 HydrophobicContact CG-CD1 4.18Å; P199-Y222 HydrophobicContact CG-CD2 3.76Å; P199-Y222 HydrophobicContact CG-CE2 4.27Å; P199-Y222 HydrophobicContact CG-CG 3.69Å; L214-Y222 HydrophobicContact CD2-CD1 3.23Å; L214-Y222 HydrophobicContact CD2-CE1 3.49Å; L214-Y222 VanDerWaalsContact CD2-CE1 3.49Å; L214-Y222 HydrophobicContact CD2-CG 4.09Å; Q219-Y222 PolarHBondContact O-N 3.12Å; Q219-Y222 VanDerWaalsContact O-N 3.15Å; K220-Y222 PolarHBondContact O-N 3.22Å; Y222-Q224 VanDerWaalsContact C-N 3.35Å; Y222-Q224 PolarHBondContact O-N 2.96Å; Y222-N225 PolarHBondContact O-N 2.76Å; Y222-L226 HydrophobicContact CE1-CD2 4.38Å; Y222-L226 WeakPolarHBondContact O-CB 3.34Å; Y222-L226 PolarHBondContact O-N 3.35Å; Y222-V250 HydrophobicContact CE1-CG2 4.47Å
223	C	98.3	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.3	-36	180	-63.8	0	0	0	0	112.3	Q219 K220 L226 C227 V243 F248	Q219-C223 PolarHBondContact O-N 3.24Å; Q219-C223 PolarHBondContact O-SG 3.06Å; K220-C223 PolarHBondContact O-N 3.14Å; C223-L226 PolarHBondContact O-N 3.38Å; C223-C227 WeakPolarHBondContact O-CB 3.46Å; C223-C227 PolarHBondContact O-N 2.88Å; C223-C227 PolarHBondContact O-SG 3.23Å; C223-C227 VanDerWaalsContact O-SG 3.36Å; C223-V243 HydrophobicContact CB-CB 3.99Å; C223-V243 HydrophobicContact CB-CG1 4.13Å; C223-V243 HydrophobicContact CB-CG2 4.03Å; C223-F248 HydrophobicContact CB-CD2 4.01Å; C223-F248 HydrophobicContact CB-CE2 3.71Å; C223-F248 HydrophobicContact CB-CZ 4.03Å; C223-F248 VanDerWaalsContact SG-CD2 3.56Å
224	Q	97.9	Very high	96.9	Very high	38 Å²	38	29.5 Å²	29.5	18%	0.178	15%	0.151	C	C	.	.	H	α-helix	trans	-63.1	-47.4	172.9	-74.6	176.7	-26.6	0	0	111.3	K220 L221 Y222 L226 C227 L228 Y241 V243	K220-Q224 HydrophobicContact CG-CG 4.45Å; K220-Q224 WeakPolarHBondContact O-CB 3.48Å; K220-Q224 VanDerWaalsContact O-CG 3.26Å; K220-Q224 WeakPolarHBondContact O-CG 3.37Å; K220-Q224 PolarHBondContact O-N 3.12Å; L221-Q224 PolarHBondContact O-N 2.94Å; Y222-Q224 VanDerWaalsContact C-N 3.35Å; Y222-Q224 PolarHBondContact O-N 2.96Å; Q224-L226 VanDerWaalsContact C-N 3.32Å; Q224-L226 PolarHBondContact O-N 3.43Å; Q224-C227 WeakPolarHBondContact O-CB 3.16Å; Q224-C227 PolarHBondContact O-N 2.8Å; Q224-L228 WeakPolarHBondContact O-CG 3.36Å; Q224-L228 PolarHBondContact O-N 2.94Å; Q224-Y241 PolarHBondContact NE2-O 2.85Å; Q224-V243 HydrophobicContact CG-CG1 4.06Å; Q224-V243 HydrophobicContact CG-CG2 3.85Å
225	N	98.1	Very high	96.2	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.048	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-40.2	176.4	-68.5	-11.2	0	0	0	111.8	L176 Y178 L221 Y222 L228 L229	L176-N225 HydrophobicContact CB-CB 3.66Å; L176-N225 WeakPolarHBondContact O-CB 2.98Å; L176-N225 PolarHBondContact O-ND2 3.35Å; Y178-N225 WeakPolarHBondContact CE1-OD1 3.3Å; L221-N225 WeakPolarHBondContact O-CB 3.43Å; L221-N225 VanDerWaalsContact O-CG 3.23Å; L221-N225 PolarHBondContact O-N 2.84Å; L221-N225 PolarHBondContact O-ND2 3.01Å; Y222-N225 PolarHBondContact O-N 2.76Å; N225-L228 PolarHBondContact O-N 3.01Å; N225-L229 WeakPolarHBondContact O-CB 3.31Å; N225-L229 PolarHBondContact O-N 3.42Å
226	L	98.4	Very high	95.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-43.1	174.9	-178	59.2	0	0	0	111.5	L176 Y222 C223 Q224 L229 A230 F248 V250 L261 Y264	L176-L226 HydrophobicContact CD1-CB 3.69Å; L176-L226 HydrophobicContact CD1-CD1 3.92Å; L176-L226 HydrophobicContact CD1-CG 4.36Å; Y222-L226 HydrophobicContact CE1-CD2 4.38Å; Y222-L226 WeakPolarHBondContact O-CB 3.34Å; Y222-L226 PolarHBondContact O-N 3.35Å; C223-L226 PolarHBondContact O-N 3.38Å; Q224-L226 VanDerWaalsContact C-N 3.32Å; Q224-L226 PolarHBondContact O-N 3.43Å; L226-L229 PolarHBondContact O-N 2.82Å; L226-A230 WeakPolarHBondContact O-CB 3.44Å; L226-A230 PolarHBondContact O-N 2.96Å; L226-F248 HydrophobicContact CD2-CD1 3.95Å; L226-V250 HydrophobicContact CD2-CG2 3.94Å; L226-L261 HydrophobicContact CD1-CD1 4.44Å; L226-L261 HydrophobicContact CD1-CD2 3.75Å; L226-Y264 HydrophobicContact CD1-CD1 3.76Å; L226-Y264 HydrophobicContact CD1-CE1 3.97Å; L226-Y264 HydrophobicContact CD1-CG 4.24Å; L226-Y264 HydrophobicContact CD2-CD1 4.14Å; L226-Y264 HydrophobicContact CD2-CD2 3.81Å; L226-Y264 HydrophobicContact CD2-CE1 4.47Å; L226-Y264 HydrophobicContact CD2-CE2 4.17Å; L226-Y264 HydrophobicContact CD2-CG 3.79Å; L226-Y264 HydrophobicContact CG-CD1 4.05Å; L226-Y264 HydrophobicContact CG-CD2 4.35Å; L226-Y264 HydrophobicContact CG-CE1 4.03Å; L226-Y264 HydrophobicContact CG-CE2 4.34Å; L226-Y264 HydrophobicContact CG-CG 4.22Å
227	C	97.7	Very high	94.8	Very high	1 Å²	1	33 Å²	33	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-41.5	176	-77.2	0	0	0	0	112.7	C223 Q224 A230 K231 K237	C223-C227 WeakPolarHBondContact O-CB 3.46Å; C223-C227 PolarHBondContact O-N 2.88Å; C223-C227 PolarHBondContact O-SG 3.23Å; C223-C227 VanDerWaalsContact O-SG 3.36Å; Q224-C227 WeakPolarHBondContact O-CB 3.16Å; Q224-C227 PolarHBondContact O-N 2.8Å; C227-A230 PolarHBondContact O-N 2.87Å; C227-K231 WeakPolarHBondContact O-CB 3.35Å; C227-K231 PolarHBondContact O-N 3.41Å; C227-K237 WeakPolarHBondContact SG-CE 3.46Å
228	L	96.8	Very high	93.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-42.8	176.2	-70.5	171.8	0	0	0	111.6	S157 P158 Y159 Y178 Q224 N225 A230 K231 Y240 Y241	S157-L228 WeakPolarHBondContact CB-O 3.39Å; S157-L228 PolarHBondContact OG-O 3.3Å; P158-L228 HydrophobicContact CG-CD2 4.22Å; Y159-L228 HydrophobicContact CD1-CB 4.26Å; Y159-L228 HydrophobicContact CD1-CD1 3.94Å; Y159-L228 HydrophobicContact CE1-CB 3.72Å; Y159-L228 HydrophobicContact CE1-CD1 4.02Å; Y159-L228 HydrophobicContact CE1-CG 4.42Å; Y159-L228 HydrophobicContact CE2-CB 4.18Å; Y178-L228 HydrophobicContact CE1-CD1 3.9Å; Q224-L228 WeakPolarHBondContact O-CG 3.36Å; Q224-L228 PolarHBondContact O-N 2.94Å; N225-L228 PolarHBondContact O-N 3.01Å; L228-A230 VanDerWaalsContact C-N 3.35Å; L228-K231 PolarHBondContact O-N 2.89Å; L228-Y240 HydrophobicContact CD2-CD2 4.29Å; L228-Y241 HydrophobicContact CD1-CE1 4.31Å; L228-Y241 HydrophobicContact CD2-CE1 4.48Å
229	L	97.8	Very high	93.2	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-46.4	172.4	173.5	61.4	0	0	0	110.8	I144 F146 Y159 I171 L176 N225 L226 K231 L232 F233 L261 L283	I144-L229 HydrophobicContact CD1-CD1 3.48Å; I144-L229 VanDerWaalsContact CD1-CD1 3.48Å; F146-L229 HydrophobicContact CD2-CD2 4.35Å; F146-L229 HydrophobicContact CE2-CD2 3.81Å; F146-L229 HydrophobicContact CZ-CD2 4.33Å; Y159-L229 PolarHBondContact OH-N 2.47Å; I171-L229 HydrophobicContact CD1-CD1 3.86Å; L176-L229 HydrophobicContact CD2-CD2 4.22Å; N225-L229 WeakPolarHBondContact O-CB 3.31Å; N225-L229 PolarHBondContact O-N 3.42Å; L226-L229 PolarHBondContact O-N 2.82Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 2.97Å; L229-L232 HydrophobicContact CD1-CD1 4.35Å; L229-L232 WeakPolarHBondContact O-CB 3.46Å; L229-L232 PolarHBondContact O-N 3.07Å; L229-F233 HydrophobicContact CD1-CE2 3.97Å; L229-F233 WeakPolarHBondContact O-CD2 3.4Å; L229-L261 HydrophobicContact CD2-CD2 3.9Å; L229-L283 HydrophobicContact CD2-CD2 4.31Å; L229-L283 HydrophobicContact CG-CD2 4.3Å
230	A	96.9	Very high	92.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-37.8	-178.4	0	0	0	0	0	112.8	L226 C227 L228 L232 F233 L234 Y264 L281	L226-A230 WeakPolarHBondContact O-CB 3.44Å; L226-A230 PolarHBondContact O-N 2.96Å; C227-A230 PolarHBondContact O-N 2.87Å; L228-A230 VanDerWaalsContact C-N 3.35Å; A230-L232 PolarHBondContact O-N 3.17Å; A230-F233 CarbonylContact O-C 3.55Å; A230-F233 WeakPolarHBondContact O-CA 3.37Å; A230-F233 PolarHBondContact O-N 3.43Å; A230-L234 HydrophobicContact CB-CD1 4.15Å; A230-L234 WeakPolarHBondContact O-CG 3.45Å; A230-L234 PolarHBondContact O-N 3.43Å; A230-Y264 HydrophobicContact CB-CE1 3.56Å; A230-Y264 WeakPolarHBondContact CB-OH 3.49Å; A230-L281 HydrophobicContact CB-CD2 3.79Å
231	K	94.2	Very high	91.9	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-21.2	179.8	-176.5	66.6	-164.4	76.1	0	113.2	Y132 F156 C227 L228 L229 F233 L234 D235 K237	Y132-K231 WeakPolarHBondContact OH-CE 3.46Å; F156-K231 WeakPolarHBondContact O-CG 3.5Å; F156-K231 PolarHBondContact O-NZ 2.9Å; C227-K231 WeakPolarHBondContact O-CB 3.35Å; C227-K231 PolarHBondContact O-N 3.41Å; L228-K231 PolarHBondContact O-N 2.89Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 2.97Å; K231-F233 PolarHBondContact O-N 3.24Å; K231-L234 WeakPolarHBondContact CD-O 3.39Å; K231-L234 PolarHBondContact NZ-O 3.49Å; K231-L234 VanDerWaalsContact O-O 3.09Å; K231-D235 WeakPolarHBondContact CE-O 3.43Å; K231-D235 PolarHBondContact NZ-O 2.89Å; K231-K237 HydrophobicContact CD-CB 3.73Å; K231-K237 HydrophobicContact CD-CG 4.44Å; K231-K237 WeakPolarHBondContact CD-O 3.41Å
232	L	95.2	Very high	91.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.5	170	-64.5	168.6	0	0	0	112.9	I141 I144 T153 W154 Y155 S157 Y159 L229 A230	I141-L232 HydrophobicContact CD1-CD2 4.42Å; I144-L232 HydrophobicContact CD1-CD1 4.33Å; I144-L232 HydrophobicContact CG2-CD1 3.67Å; T153-L232 HydrophobicContact CG2-CB 4.27Å; T153-L232 HydrophobicContact CG2-CD1 4.18Å; T153-L232 HydrophobicContact CG2-CD2 3.92Å; T153-L232 HydrophobicContact CG2-CG 4.36Å; W154-L232 PolarHBondContact N-O 2.96Å; Y155-L232 PolarHBondContact N-O 2.84Å; S157-L232 VanDerWaalsContact CB-CD2 3.43Å; Y159-L232 HydrophobicContact CE2-CD1 4.04Å; Y159-L232 HydrophobicContact CE2-CD2 4.16Å; Y159-L232 HydrophobicContact CE2-CG 4.14Å; L229-L232 HydrophobicContact CD1-CD1 4.35Å; L229-L232 WeakPolarHBondContact O-CB 3.46Å; L229-L232 PolarHBondContact O-N 3.07Å; A230-L232 PolarHBondContact O-N 3.17Å
233	F	94.9	Very high	91.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.018	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-1.2	-174.7	-50.6	-67.7	0	0	0	113.5	I144 I151 W154 Y155 L229 A230 K231 L281 L283 P284	I144-F233 HydrophobicContact CD1-CE2 4.05Å; I144-F233 HydrophobicContact CD1-CZ 3.8Å; I144-F233 HydrophobicContact CG1-CZ 4.44Å; I151-F233 HydrophobicContact CG2-CE1 3.78Å; I151-F233 HydrophobicContact CG2-CZ 3.76Å; W154-F233 AromaticContact CD2-CD1 3.98Å; W154-F233 HydrophobicContact CD2-CD1 3.98Å; W154-F233 HydrophobicContact CE3-CB 3.98Å; W154-F233 HydrophobicContact CE3-CD1 4.27Å; W154-F233 HydrophobicContact CG-CD1 4.18Å; W154-F233 HydrophobicContact CZ3-CB 4.37Å; Y155-F233 VanDerWaalsContact CD2-C 3.49Å; L229-F233 HydrophobicContact CD1-CE2 3.97Å; L229-F233 WeakPolarHBondContact O-CD2 3.4Å; A230-F233 CarbonylContact O-C 3.55Å; A230-F233 WeakPolarHBondContact O-CA 3.37Å; A230-F233 PolarHBondContact O-N 3.43Å; K231-F233 PolarHBondContact O-N 3.24Å; F233-L281 HydrophobicContact CB-CD1 3.71Å; F233-L281 HydrophobicContact CB-CD2 4.16Å; F233-L281 HydrophobicContact CD2-CD2 4.07Å; F233-L283 HydrophobicContact CD2-CD2 4.07Å; F233-L283 HydrophobicContact CE2-CD2 3.94Å; F233-P284 HydrophobicContact CD1-CG 3.57Å; F233-P284 HydrophobicContact CE1-CG 3.55Å; F233-P284 HydrophobicContact CG-CG 4.21Å; F233-P284 HydrophobicContact CZ-CG 4.16Å
234	L	91.1	Very high	91.4	Very high	26 Å²	26	30.1 Å²	30.1	14%	0.136	15%	0.151	C	C	.	.			trans	-122.3	124.6	175.5	-60.6	178.6	0	0	0	109.6	A230 K231 K237 C279 L281	A230-L234 HydrophobicContact CB-CD1 4.15Å; A230-L234 WeakPolarHBondContact O-CG 3.45Å; A230-L234 PolarHBondContact O-N 3.43Å; K231-L234 WeakPolarHBondContact CD-O 3.39Å; K231-L234 PolarHBondContact NZ-O 3.49Å; K231-L234 VanDerWaalsContact O-O 3.09Å; L234-K237 HydrophobicContact CB-CB 4.37Å; L234-K237 HydrophobicContact CD1-CD 4.29Å; L234-C279 HydrophobicContact CD1-CB 4.25Å; L234-L281 HydrophobicContact CD1-CB 4.37Å; L234-L281 HydrophobicContact CD2-CB 4.48Å; L234-L281 HydrophobicContact CD2-CD1 4.14Å; L234-L281 HydrophobicContact CG-CD1 4.42Å
235	D	83.4	Confident	91.3	Very high	26 Å²	26	30.9 Å²	30.9	14%	0.139	16%	0.16	C	C	.	.	S	Bend	trans	-72.4	-59.6	-177.4	-160.9	9	0	0	0	111.2	R62 Y155 K231 K237	R62-D235 IonicContact NH1-OD1 3.67Å; Y155-D235 HydrophobicContact CD1-CB 4.07Å; Y155-D235 HydrophobicContact CD2-CB 4.3Å; Y155-D235 HydrophobicContact CE1-CB 3.86Å; Y155-D235 HydrophobicContact CE2-CB 4.1Å; Y155-D235 HydrophobicContact CG-CB 4.28Å; K231-D235 WeakPolarHBondContact CE-O 3.43Å; K231-D235 PolarHBondContact NZ-O 2.89Å; D235-K237 PolarHBondContact O-N 2.9Å; D235-K237 VanDerWaalsContact O-N 3.15Å
236	H	80.8	Confident	91.2	Very high	87 Å²	87	31.1 Å²	31.1	40%	0.403	16%	0.16	S	C	.	.	S	Bend	trans	-91.1	69.9	-177.1	-52.4	-76.4	0	0	0	112.1	E129	E129-H236 IonicContact OE1-CE1 3.56Å; E129-H236 IonicContact OE1-ND1 2.76Å; E129-H236 PolarHBondContact OE1-ND1 2.94Å
237	K	83.6	Confident	91.1	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.039	17%	0.166	C	C	.	.			trans	-124.6	108.9	168.9	178.2	170.9	-175.4	52.3	0	110.9	Y132 C227 K231 L234 D235 L239 C279	Y132-K237 PolarHBondContact OH-O 3.11Å; C227-K237 WeakPolarHBondContact SG-CE 3.46Å; K231-K237 HydrophobicContact CD-CB 3.73Å; K231-K237 HydrophobicContact CD-CG 4.44Å; K231-K237 WeakPolarHBondContact CD-O 3.41Å; L234-K237 HydrophobicContact CB-CB 4.37Å; L234-K237 HydrophobicContact CD1-CD 4.29Å; D235-K237 PolarHBondContact O-N 2.9Å; D235-K237 VanDerWaalsContact O-N 3.15Å; K237-L239 WeakPolarHBondContact CE-O 3.38Å; K237-L239 PolarHBondContact NZ-O 3.45Å; K237-C279 PolarHBondContact NZ-SG 3.46Å
238	T	78.2	Confident	91.2	Very high	89 Å²	89	32.2 Å²	32.2	55%	0.546	17%	0.166	S	C	.	.			trans	-92.6	-31.5	-173.6	55.5	0	0	0	0	113.2	Y240	T238-Y240 WeakPolarHBondContact O-CD1 3.43Å; T238-Y240 WeakPolarHBondContact O-CE1 3.38Å
239	L	81.9	Confident	91.3	Very high	72 Å²	72	32.4 Å²	32.4	38%	0.377	17%	0.167	S	C	.	.			trans	-101.8	110.5	-179	-62.8	178	0	0	0	111.7	K237 F246	K237-L239 WeakPolarHBondContact CE-O 3.38Å; K237-L239 PolarHBondContact NZ-O 3.45Å; L239-F246 HydrophobicContact CB-CE2 4.43Å; L239-F246 HydrophobicContact CD1-CE2 3.82Å; L239-F246 HydrophobicContact CD1-CZ 3.86Å
240	Y	82.8	Confident	91.3	Very high	51 Å²	51	32.3 Å²	32.3	20%	0.2	17%	0.166	C	C	.	.	S	Bend	trans	-126.8	-29.4	177.8	41.6	-91.9	0	0	0	114.2	P158 L228 T238	P158-Y240 HydrophobicContact CB-CE2 3.88Å; P158-Y240 HydrophobicContact CG-CD1 3.74Å; P158-Y240 HydrophobicContact CG-CD2 3.55Å; P158-Y240 HydrophobicContact CG-CE1 3.5Å; P158-Y240 VanDerWaalsContact CG-CE1 3.5Å; P158-Y240 HydrophobicContact CG-CE2 3.27Å; P158-Y240 HydrophobicContact CG-CG 3.78Å; L228-Y240 HydrophobicContact CD2-CD2 4.29Å; T238-Y240 WeakPolarHBondContact O-CD1 3.43Å; T238-Y240 WeakPolarHBondContact O-CE1 3.38Å
241	Y	86.9	Confident	91.4	Very high	94 Å²	94	32.3 Å²	32.3	37%	0.369	17%	0.166	S	C	.	.	S	Bend	trans	-94.9	-33.7	174.8	-67.5	-56.6	0	0	0	113.8	P158 Q224 L228 V243	P158-Y241 PolarHBondContact O-OH 2.96Å; Q224-Y241 PolarHBondContact NE2-O 2.85Å; L228-Y241 HydrophobicContact CD1-CE1 4.31Å; L228-Y241 HydrophobicContact CD2-CE1 4.48Å; Y241-V243 PolarHBondContact O-N 3.17Å
242	N	92	Very high	91.6	Very high	89 Å²	89	32.2 Å²	32.2	48%	0.476	17%	0.166	S	C	.	.			trans	-88.7	83.1	175.9	-172.9	15.9	0	0	0	110.8	P245	N242-P245 WeakPolarHBondContact OD1-CD 3.13Å
243	V	95	Very high	91.7	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.174	C	C	.	.			trans	-95.4	-13.6	-177.4	-66.6	0	0	0	0	113.7	G216 K220 C223 Q224 Y241 P245 F246 F248	G216-V243 WeakPolarHBondContact CA-O 3.2Å; G216-V243 VanDerWaalsContact O-CG2 3.3Å; G216-V243 WeakPolarHBondContact O-CG2 3.42Å; K220-V243 HydrophobicContact CG-CG2 4Å; C223-V243 HydrophobicContact CB-CB 3.99Å; C223-V243 HydrophobicContact CB-CG1 4.13Å; C223-V243 HydrophobicContact CB-CG2 4.03Å; Q224-V243 HydrophobicContact CG-CG1 4.06Å; Q224-V243 HydrophobicContact CG-CG2 3.85Å; Y241-V243 PolarHBondContact O-N 3.17Å; V243-P245 VanDerWaalsContact C-N 3.32Å; V243-F246 PolarHBondContact O-N 2.86Å; V243-F248 HydrophobicContact CB-CE2 4.14Å; V243-F248 HydrophobicContact CB-CZ 4.16Å; V243-F248 HydrophobicContact CG1-CZ 4.07Å
244	S	95.8	Very high	91.8	Very high	29 Å²	29	36.5 Å²	36.5	20%	0.203	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.3	-175.7	-67.1	0	0	0	0	115.5	N217 F246 K269	N217-S244 PolarHBondContact OD1-OG 3.09Å; S244-F246 PolarHBondContact O-N 3.15Å; S244-K269 WeakPolarHBondContact O-CE 3.31Å; S244-K269 PolarHBondContact O-NZ 3.04Å
245	P	95	Very high	91.9	Very high	55 Å²	55	38.4 Å²	38.4	36%	0.357	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.8	177	-21.5	34.7	0	0	0	115	N242 V243 K269	N242-P245 WeakPolarHBondContact OD1-CD 3.13Å; V243-P245 VanDerWaalsContact C-N 3.32Å; P245-K269 WeakPolarHBondContact O-CB 3.28Å; P245-K269 VanDerWaalsContact O-CG 3.31Å; P245-K269 WeakPolarHBondContact O-CG 3.37Å; P245-K269 PolarHBondContact O-N 3.47Å
246	F	96.3	Very high	92.4	Very high	13 Å²	13	45.2 Å²	45.2	6%	0.057	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.1	-169.1	-61.1	-87.4	0	0	0	113.1	G216 L239 V243 S244 F248 K267 E268 A278	G216-F246 PolarHBondContact N-O 2.93Å; L239-F246 HydrophobicContact CB-CE2 4.43Å; L239-F246 HydrophobicContact CD1-CE2 3.82Å; L239-F246 HydrophobicContact CD1-CZ 3.86Å; V243-F246 PolarHBondContact O-N 2.86Å; S244-F246 PolarHBondContact O-N 3.15Å; F246-F248 HydrophobicContact CB-CD2 4.24Å; F246-F248 HydrophobicContact CB-CE2 3.57Å; F246-F248 HydrophobicContact CB-CZ 3.94Å; F246-K267 CarbonylContact C-O 3.47Å; F246-K267 VanDerWaalsContact CA-O 3.31Å; F246-K267 WeakPolarHBondContact CA-O 3.4Å; F246-E268 HydrophobicContact CD1-CG 3.96Å; F246-E268 HydrophobicContact CE1-CG 3.48Å; F246-E268 VanDerWaalsContact CE1-CG 3.48Å; F246-E268 HydrophobicContact CZ-CG 4.25Å; F246-A278 HydrophobicContact CD1-CB 4.41Å; F246-A278 HydrophobicContact CE1-CB 4.01Å
247	I	97.6	Very high	92.9	Very high	27 Å²	27	46.6 Å²	46.6	14%	0.138	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.8	158.5	-57.2	-58	0	0	0	107.9	E213 L214 D215 Y249 S266 K267 K269	E213-I247 HydrophobicContact CG-CG2 3.6Å; L214-I247 CarbonylContact O-C 3.42Å; L214-I247 WeakPolarHBondContact O-CA 3.25Å; D215-I247 HydrophobicContact CB-CD1 4.08Å; I247-Y249 HydrophobicContact CB-CE2 4.27Å; I247-Y249 HydrophobicContact CG2-CD2 4.3Å; I247-Y249 HydrophobicContact CG2-CE1 4.32Å; I247-Y249 HydrophobicContact CG2-CE2 3.68Å; I247-S266 CarbonylContact O-C 3.58Å; I247-S266 VanDerWaalsContact O-CA 3.28Å; I247-S266 WeakPolarHBondContact O-CA 3.4Å; I247-K267 PolarHBondContact N-O 2.74Å; I247-K267 PolarHBondContact O-N 3.01Å; I247-K269 HydrophobicContact CD1-CD 4.28Å; I247-K269 HydrophobicContact CD1-CG 3.92Å; I247-K269 HydrophobicContact CG1-CG 3.77Å
248	F	98.5	Very high	93.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.3	178.4	-63.3	-104.3	0	0	0	109.5	E213 L214 C223 L226 V243 F246 V250 Y264	E213-F248 WeakPolarHBondContact CA-O 3.13Å; L214-F248 HydrophobicContact CB-CB 4.24Å; L214-F248 PolarHBondContact N-O 3.46Å; L214-F248 PolarHBondContact O-N 3.29Å; C223-F248 HydrophobicContact CB-CD2 4.01Å; C223-F248 HydrophobicContact CB-CE2 3.71Å; C223-F248 HydrophobicContact CB-CZ 4.03Å; C223-F248 VanDerWaalsContact SG-CD2 3.56Å; L226-F248 HydrophobicContact CD2-CD1 3.95Å; V243-F248 HydrophobicContact CB-CE2 4.14Å; V243-F248 HydrophobicContact CB-CZ 4.16Å; V243-F248 HydrophobicContact CG1-CZ 4.07Å; F246-F248 HydrophobicContact CB-CD2 4.24Å; F246-F248 HydrophobicContact CB-CE2 3.57Å; F246-F248 HydrophobicContact CB-CZ 3.94Å; F248-V250 HydrophobicContact CB-CG2 4.48Å; F248-Y264 AromaticContact CD1-CD2 3.83Å; F248-Y264 HydrophobicContact CD1-CD2 3.83Å; F248-Y264 AromaticContact CD1-CE2 3.71Å; F248-Y264 HydrophobicContact CD1-CE2 3.71Å; F248-Y264 HydrophobicContact CE1-CE2 4.01Å
249	Y	98.7	Very high	94.4	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.9	175.6	-62.8	-86	0	0	0	108.7	I203 F212 E213 I247 Y264 F265 K267 L302	I203-Y249 HydrophobicContact CD1-CD1 3.57Å; I203-Y249 HydrophobicContact CD1-CE1 3.74Å; F212-Y249 CarbonylContact O-C 3.58Å; F212-Y249 WeakPolarHBondContact O-CA 3.36Å; E213-Y249 HydrophobicContact CB-CD1 4.34Å; E213-Y249 HydrophobicContact CB-CE1 4.23Å; E213-Y249 HydrophobicContact CG-CD1 4.45Å; E213-Y249 HydrophobicContact CG-CE1 3.98Å; E213-Y249 PolarHBondContact OE2-OH 2.71Å; I247-Y249 HydrophobicContact CB-CE2 4.27Å; I247-Y249 HydrophobicContact CG2-CD2 4.3Å; I247-Y249 HydrophobicContact CG2-CE1 4.32Å; I247-Y249 HydrophobicContact CG2-CE2 3.68Å; Y249-Y264 CarbonylContact O-C 3.51Å; Y249-Y264 WeakPolarHBondContact O-CA 3.38Å; Y249-Y264 VanDerWaalsContact O-CB 3.3Å; Y249-Y264 WeakPolarHBondContact O-CB 3.2Å; Y249-F265 HydrophobicContact CD1-CZ 4.4Å; Y249-F265 AromaticContact CD2-CD2 3.89Å; Y249-F265 HydrophobicContact CD2-CD2 3.89Å; Y249-F265 HydrophobicContact CD2-CE1 4.01Å; Y249-F265 AromaticContact CD2-CE2 3.2Å; Y249-F265 HydrophobicContact CD2-CE2 3.2Å; Y249-F265 AromaticContact CD2-CZ 3.25Å; Y249-F265 HydrophobicContact CD2-CZ 3.25Å; Y249-F265 AromaticContact CE2-CE2 3.74Å; Y249-F265 HydrophobicContact CE2-CE2 3.74Å; Y249-F265 AromaticContact CE2-CZ 3.91Å; Y249-F265 HydrophobicContact CE2-CZ 3.91Å; Y249-F265 AromaticContact CG-CE1 3.9Å; Y249-F265 HydrophobicContact CG-CE1 3.9Å; Y249-F265 AromaticContact CG-CE2 3.96Å; Y249-F265 HydrophobicContact CG-CE2 3.96Å; Y249-F265 AromaticContact CG-CZ 3.52Å; Y249-F265 HydrophobicContact CG-CZ 3.52Å; Y249-F265 PolarHBondContact N-O 3.46Å; Y249-F265 PolarHBondContact O-N 2.96Å; Y249-K267 HydrophobicContact CE2-CB 4.14Å; Y249-L302 HydrophobicContact CD1-CD1 4.06Å; Y249-L302 HydrophobicContact CD2-CD1 4.41Å; Y249-L302 HydrophobicContact CE1-CD1 3.53Å; Y249-L302 HydrophobicContact CE2-CD1 3.93Å; Y249-L302 HydrophobicContact CG-CD1 4.45Å; Y249-L302 VanDerWaalsContact CZ-CD1 3.44Å
250	V	98.8	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.2	-169.8	175.5	0	0	0	0	109.7	P198 V211 F212 L214 Y222 L226 F248 L261	P198-V250 HydrophobicContact CB-CG1 4.22Å; P198-V250 HydrophobicContact CG-CG1 3.84Å; V211-V250 CarbonylContact C-O 3.55Å; V211-V250 VanDerWaalsContact CA-O 3.29Å; V211-V250 WeakPolarHBondContact CA-O 3.11Å; F212-V250 HydrophobicContact CB-CB 4.42Å; F212-V250 PolarHBondContact N-O 2.83Å; F212-V250 PolarHBondContact O-N 3.32Å; L214-V250 HydrophobicContact CD1-CB 4.21Å; L214-V250 HydrophobicContact CD1-CG2 3.84Å; L214-V250 HydrophobicContact CD2-CG2 4.28Å; Y222-V250 HydrophobicContact CE1-CG2 4.47Å; L226-V250 HydrophobicContact CD2-CG2 3.94Å; F248-V250 HydrophobicContact CB-CG2 4.48Å; V250-L261 HydrophobicContact CG1-CD1 3.49Å; V250-L261 VanDerWaalsContact CG1-CD1 3.49Å
251	L	98.7	Very high	95.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	132	176.2	173.7	66.3	0	0	0	110.5	L209 V211 V262 G263 Y291 F294 L295	L209-L251 HydrophobicContact CB-CD1 4.45Å; L209-L251 HydrophobicContact CD2-CD1 4.36Å; V211-L251 HydrophobicContact CG2-CD1 3.9Å; L251-V262 HydrophobicContact CD2-CG1 4.39Å; L251-V262 PolarHBondContact O-N 2.82Å; L251-G263 PolarHBondContact N-O 3.46Å; L251-G263 PolarHBondContact O-N 3.33Å; L251-G263 VanDerWaalsContact O-O 3.13Å; L251-Y291 HydrophobicContact CD2-CD1 3.73Å; L251-Y291 HydrophobicContact CD2-CG 4.04Å; L251-F294 HydrophobicContact CD1-CD1 4.06Å; L251-F294 HydrophobicContact CD1-CE1 3.77Å; L251-F294 HydrophobicContact CD1-CZ 4.35Å; L251-F294 HydrophobicContact CD2-CD1 3.95Å; L251-F294 HydrophobicContact CD2-CE1 4.48Å; L251-L295 HydrophobicContact CB-CD2 3.71Å; L251-L295 HydrophobicContact CD2-CD2 4.09Å; L251-L295 HydrophobicContact CD2-CG 4.11Å
252	C	98.5	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.5	-179.8	-57.1	0	0	0	0	112.8	P198 L209 C210 V259 H260	P198-C252 WeakPolarHBondContact CG-SG 3.5Å; L209-C252 WeakPolarHBondContact CA-O 3.41Å; C210-C252 PolarHBondContact N-O 3.42Å; C210-C252 VanDerWaalsContact N-O 3.12Å; C210-C252 PolarHBondContact O-N 2.96Å; C252-V259 HydrophobicContact CB-CG1 3.28Å; C252-H260 CarbonylContact C-O 3.52Å; C252-H260 WeakPolarHBondContact CA-O 3.33Å; C252-H260 WeakPolarHBondContact CB-O 3.45Å
253	E	97.3	Very high	96.7	Very high	39 Å²	39	30 Å²	30	18%	0.182	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142	161.6	-85.7	170.8	-150.9	0	0	109.2	N208 L209 V259 H260 V262 Y291	N208-E253 CarbonylContact O-C 3.57Å; N208-E253 VanDerWaalsContact O-CA 3.32Å; N208-E253 WeakPolarHBondContact O-CA 3.38Å; L209-E253 HydrophobicContact CD2-CG 3.91Å; E253-V259 WeakPolarHBondContact O-CA 3.45Å; E253-H260 PolarHBondContact N-O 3.09Å; E253-H260 PolarHBondContact O-N 2.8Å; E253-V262 HydrophobicContact CB-CG2 3.94Å; E253-V262 HydrophobicContact CG-CG2 3.77Å; E253-Y291 VanDerWaalsContact CD-OH 3.32Å; E253-Y291 WeakPolarHBondContact OE1-CE2 3.37Å; E253-Y291 VanDerWaalsContact OE1-CZ 3.24Å; E253-Y291 PolarHBondContact OE1-OH 3.26Å
254	I	96.4	Very high	96.9	Very high	56 Å²	56	30 Å²	30	29%	0.287	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.8	175.2	-52.6	172.6	0	0	0	108.7	N208 C210 G258 V259	N208-I254 PolarHBondContact O-N 3.01Å; C210-I254 HydrophobicContact CB-CD1 3.95Å; C210-I254 HydrophobicContact CB-CG1 4.42Å; C210-I254 VanDerWaalsContact SG-CG1 3.58Å; I254-G258 WeakPolarHBondContact CA-O 3.32Å; I254-V259 HydrophobicContact CG1-CG1 4.47Å; I254-V259 HydrophobicContact CG1-CG2 4.24Å
255	D	94.8	Very high	97	Very high	66 Å²	66	28.6 Å²	28.6	35%	0.353	16%	0.156	S	C	.	.			trans	-134.2	-163.9	166.8	71.4	27.1	0	0	0	111.4	D257 G258 H260	D255-D257 VanDerWaalsContact C-N 3.3Å; D255-D257 WeakPolarHBondContact OD1-CA 3.49Å; D255-D257 WeakPolarHBondContact OD1-CB 3.35Å; D255-D257 PolarHBondContact OD1-N 3.4Å; D255-G258 PolarHBondContact N-O 3.12Å; D255-G258 PolarHBondContact OD1-N 2.82Å; D255-H260 IonicContact OD1-CD2 3.89Å; D255-H260 IonicContact OD1-NE2 2.7Å; D255-H260 PolarHBondContact OD1-NE2 3.25Å; D255-H260 IonicContact OD2-CD2 2.85Å; D255-H260 IonicContact OD2-NE2 3.53Å; D255-H260 PolarHBondContact OD2-NE2 2.79Å
256	N	93.7	Very high	97.1	Very high	169 Å²	169	26 Å²	26	90%	0.904	14%	0.139	S	C	*	.	S	Bend	trans	-72.6	-22.6	-178.2	-64.2	-32.4	0	0	0	113.4
257	D	91.2	Very high	97.1	Very high	116 Å²	116	26.6 Å²	26.6	62%	0.62	14%	0.142	S	C	*	.	S	Bend	trans	-89.3	-27.6	-176.7	-65.1	-39.1	0	0	0	111.6	D255	D255-D257 VanDerWaalsContact C-N 3.3Å; D255-D257 WeakPolarHBondContact OD1-CA 3.49Å; D255-D257 WeakPolarHBondContact OD1-CB 3.35Å; D255-D257 PolarHBondContact OD1-N 3.4Å
258	G	95	Very high	96.9	Very high	12 Å²	12	27.9 Å²	27.9	12%	0.124	15%	0.147	C	C	.	.			trans	161	-144.3	170.6	0	0	0	0	0	114.4	I254 D255 H260	I254-G258 WeakPolarHBondContact CA-O 3.32Å; D255-G258 PolarHBondContact N-O 3.12Å; D255-G258 PolarHBondContact OD1-N 2.82Å; G258-H260 PolarHBondContact N-NE2 2.84Å; G258-H260 PolarHBondContact O-CD2 2.84Å; G258-H260 PolarHBondContact O-NE2 3.16Å
259	V	98	Very high	96.6	Very high	19 Å²	19	32 Å²	32	12%	0.115	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.2	-176.9	-177.2	0	0	0	0	109.1	K196 R197 C210 F212 C252 E253 I254	K196-V259 PolarHBondContact O-N 3.03Å; R197-V259 HydrophobicContact CB-CB 3.59Å; R197-V259 HydrophobicContact CB-CG1 4.24Å; R197-V259 HydrophobicContact CB-CG2 3.78Å; C210-V259 WeakPolarHBondContact SG-CG1 3.43Å; F212-V259 HydrophobicContact CE2-CG1 3.91Å; C252-V259 HydrophobicContact CB-CG1 3.28Å; E253-V259 WeakPolarHBondContact O-CA 3.45Å; I254-V259 HydrophobicContact CG1-CG1 4.47Å; I254-V259 HydrophobicContact CG1-CG2 4.24Å
260	H	97.7	Very high	96.2	Very high	20 Å²	20	38.1 Å²	38.1	9%	0.093	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.3	-164.3	-54.3	-91.9	0	0	0	111.3	E173 Y174 C252 E253 D255 G258 V262	E173-H260 IonicContact OE2-CE1 2.82Å; E173-H260 IonicContact OE2-CG 2.8Å; E173-H260 IonicContact OE2-ND1 3.06Å; E173-H260 PolarHBondContact OE2-ND1 3.24Å; Y174-H260 AromaticContact CE1-CE1 3.96Å; Y174-H260 AromaticContact CZ-CE1 3.93Å; Y174-H260 PolarHBondContact OH-CE1 2.7Å; C252-H260 CarbonylContact C-O 3.52Å; C252-H260 WeakPolarHBondContact CA-O 3.33Å; C252-H260 WeakPolarHBondContact CB-O 3.45Å; E253-H260 PolarHBondContact N-O 3.09Å; E253-H260 PolarHBondContact O-N 2.8Å; D255-H260 IonicContact OD1-CD2 3.89Å; D255-H260 IonicContact OD1-NE2 2.7Å; D255-H260 PolarHBondContact OD1-NE2 3.25Å; D255-H260 IonicContact OD2-CD2 2.85Å; D255-H260 IonicContact OD2-NE2 3.53Å; D255-H260 PolarHBondContact OD2-NE2 2.79Å; G258-H260 PolarHBondContact N-NE2 2.84Å; G258-H260 PolarHBondContact O-CD2 2.84Å; G258-H260 PolarHBondContact O-NE2 3.16Å; H260-V262 PolarHBondContact O-N 3.12Å
261	L	98.4	Very high	95.6	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	125	176.1	173.6	67.7	0	0	0	111.1	F146 L176 L226 L229 V250 L283 F286	F146-L261 HydrophobicContact CE1-CB 4.42Å; F146-L261 HydrophobicContact CZ-CB 4.11Å; F146-L261 HydrophobicContact CZ-CD2 4.05Å; L176-L261 HydrophobicContact CD1-CD2 4.36Å; L176-L261 HydrophobicContact CD2-CD2 3.9Å; L226-L261 HydrophobicContact CD1-CD1 4.44Å; L226-L261 HydrophobicContact CD1-CD2 3.75Å; L229-L261 HydrophobicContact CD2-CD2 3.9Å; V250-L261 HydrophobicContact CG1-CD1 3.49Å; V250-L261 VanDerWaalsContact CG1-CD1 3.49Å; L261-L283 HydrophobicContact CD2-CD1 4.08Å; L261-L283 HydrophobicContact CG-CD1 4.03Å; L261-F286 WeakPolarHBondContact O-CE2 3.47Å
262	V	97.7	Very high	95	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-38.9	176.9	163.3	0	0	0	0	111.3	L251 E253 H260 L283 F286 Y291	L251-V262 HydrophobicContact CD2-CG1 4.39Å; L251-V262 PolarHBondContact O-N 2.82Å; E253-V262 HydrophobicContact CB-CG2 3.94Å; E253-V262 HydrophobicContact CG-CG2 3.77Å; H260-V262 PolarHBondContact O-N 3.12Å; V262-L283 PolarHBondContact O-N 2.87Å; V262-F286 HydrophobicContact CB-CD2 4.24Å; V262-F286 HydrophobicContact CB-CG 4.33Å; V262-F286 HydrophobicContact CG1-CB 3.75Å; V262-F286 HydrophobicContact CG1-CD2 4.21Å; V262-F286 HydrophobicContact CG1-CG 3.96Å; V262-F286 HydrophobicContact CG2-CD1 4.07Å; V262-F286 HydrophobicContact CG2-CD2 4.21Å; V262-F286 HydrophobicContact CG2-CE1 4.15Å; V262-F286 HydrophobicContact CG2-CE2 4.31Å; V262-F286 HydrophobicContact CG2-CG 4.1Å; V262-F286 HydrophobicContact CG2-CZ 4.27Å; V262-Y291 HydrophobicContact CG1-CD1 4.19Å; V262-Y291 HydrophobicContact CG1-CD2 3.17Å; V262-Y291 HydrophobicContact CG1-CE1 4.43Å; V262-Y291 HydrophobicContact CG1-CE2 3.43Å; V262-Y291 VanDerWaalsContact CG1-CE2 3.43Å; V262-Y291 HydrophobicContact CG1-CG 3.59Å
263	G	98.2	Very high	94.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	175.5	-179.2	0	0	0	0	0	111.1	L251 L281	L251-G263 PolarHBondContact N-O 3.46Å; L251-G263 PolarHBondContact O-N 3.33Å; L251-G263 VanDerWaalsContact O-O 3.13Å; G263-L281 CarbonylContact C-O 3.51Å; G263-L281 WeakPolarHBondContact CA-O 3.35Å
264	Y	98.6	Very high	94.1	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	167.4	175.8	81.2	-75.7	0	0	0	110.5	L226 A230 F248 Y249 I280 L281	L226-Y264 HydrophobicContact CD1-CD1 3.76Å; L226-Y264 HydrophobicContact CD1-CE1 3.97Å; L226-Y264 HydrophobicContact CD1-CG 4.24Å; L226-Y264 HydrophobicContact CD2-CD1 4.14Å; L226-Y264 HydrophobicContact CD2-CD2 3.81Å; L226-Y264 HydrophobicContact CD2-CE1 4.47Å; L226-Y264 HydrophobicContact CD2-CE2 4.17Å; L226-Y264 HydrophobicContact CD2-CG 3.79Å; L226-Y264 HydrophobicContact CG-CD1 4.05Å; L226-Y264 HydrophobicContact CG-CD2 4.35Å; L226-Y264 HydrophobicContact CG-CE1 4.03Å; L226-Y264 HydrophobicContact CG-CE2 4.34Å; L226-Y264 HydrophobicContact CG-CG 4.22Å; A230-Y264 HydrophobicContact CB-CE1 3.56Å; A230-Y264 WeakPolarHBondContact CB-OH 3.49Å; F248-Y264 AromaticContact CD1-CD2 3.83Å; F248-Y264 HydrophobicContact CD1-CD2 3.83Å; F248-Y264 AromaticContact CD1-CE2 3.71Å; F248-Y264 HydrophobicContact CD1-CE2 3.71Å; F248-Y264 HydrophobicContact CE1-CE2 4.01Å; Y249-Y264 CarbonylContact O-C 3.51Å; Y249-Y264 WeakPolarHBondContact O-CA 3.38Å; Y249-Y264 VanDerWaalsContact O-CB 3.3Å; Y249-Y264 WeakPolarHBondContact O-CB 3.2Å; Y264-I280 WeakPolarHBondContact O-CA 3.03Å; Y264-L281 HydrophobicContact CD1-CB 4.2Å; Y264-L281 HydrophobicContact CE1-CB 3.89Å; Y264-L281 HydrophobicContact CE1-CD2 4.29Å; Y264-L281 PolarHBondContact N-O 3.45Å; Y264-L281 PolarHBondContact O-N 3.23Å
265	F	98.2	Very high	94	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156	154.3	73.5	-91.6	0	0	0	111.5	Y249 K267 L277 C279 I280 L295 L298 L302	Y249-F265 HydrophobicContact CD1-CZ 4.4Å; Y249-F265 AromaticContact CD2-CD2 3.89Å; Y249-F265 HydrophobicContact CD2-CD2 3.89Å; Y249-F265 HydrophobicContact CD2-CE1 4.01Å; Y249-F265 AromaticContact CD2-CE2 3.2Å; Y249-F265 HydrophobicContact CD2-CE2 3.2Å; Y249-F265 AromaticContact CD2-CZ 3.25Å; Y249-F265 HydrophobicContact CD2-CZ 3.25Å; Y249-F265 AromaticContact CE2-CE2 3.74Å; Y249-F265 HydrophobicContact CE2-CE2 3.74Å; Y249-F265 AromaticContact CE2-CZ 3.91Å; Y249-F265 HydrophobicContact CE2-CZ 3.91Å; Y249-F265 AromaticContact CG-CE1 3.9Å; Y249-F265 HydrophobicContact CG-CE1 3.9Å; Y249-F265 AromaticContact CG-CE2 3.96Å; Y249-F265 HydrophobicContact CG-CE2 3.96Å; Y249-F265 AromaticContact CG-CZ 3.52Å; Y249-F265 HydrophobicContact CG-CZ 3.52Å; Y249-F265 PolarHBondContact N-O 3.46Å; Y249-F265 PolarHBondContact O-N 2.96Å; F265-K267 HydrophobicContact CE2-CB 4.4Å; F265-L277 HydrophobicContact CB-CD1 3.48Å; F265-L277 VanDerWaalsContact CB-CD1 3.48Å; F265-L277 HydrophobicContact CB-CG 3.88Å; F265-L277 HydrophobicContact CD1-CD1 4.24Å; F265-L277 HydrophobicContact CD2-CB 4.46Å; F265-L277 HydrophobicContact CD2-CD1 3.77Å; F265-L277 HydrophobicContact CD2-CG 3.94Å; F265-L277 HydrophobicContact CG-CD1 3.58Å; F265-L277 HydrophobicContact CG-CG 4.14Å; F265-C279 CarbonylContact C-O 3.58Å; F265-C279 WeakPolarHBondContact CA-O 3.46Å; F265-C279 WeakPolarHBondContact CB-O 3.39Å; F265-I280 HydrophobicContact CB-CB 4.17Å; F265-I280 HydrophobicContact CB-CG1 4.35Å; F265-L295 HydrophobicContact CD1-CB 4.2Å; F265-L295 HydrophobicContact CD1-CD2 3.98Å; F265-L298 HydrophobicContact CE1-CB 4.39Å; F265-L298 HydrophobicContact CE1-CD2 4.06Å; F265-L298 HydrophobicContact CE1-CG 4.17Å; F265-L298 HydrophobicContact CZ-CG 4.5Å; F265-L302 HydrophobicContact CZ-CD1 3.99Å
266	S	97.3	Very high	94	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.2	170.3	58.4	0	0	0	0	110.7	I247 A278 C279	I247-S266 CarbonylContact O-C 3.58Å; I247-S266 VanDerWaalsContact O-CA 3.28Å; I247-S266 WeakPolarHBondContact O-CA 3.4Å; S266-A278 PolarHBondContact O-N 3.19Å; S266-C279 PolarHBondContact N-O 2.81Å; S266-C279 WeakPolarHBondContact OG-CB 3.4Å; S266-C279 PolarHBondContact OG-N 2.8Å
267	K	95.6	Very high	94.1	Very high	26 Å²	26	39.6 Å²	39.6	11%	0.113	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.6	175	-175.8	-169.2	173.3	-171.6	0	108.8	F246 I247 Y249 F265 E306	F246-K267 CarbonylContact C-O 3.47Å; F246-K267 VanDerWaalsContact CA-O 3.31Å; F246-K267 WeakPolarHBondContact CA-O 3.4Å; I247-K267 PolarHBondContact N-O 2.74Å; I247-K267 PolarHBondContact O-N 3.01Å; Y249-K267 HydrophobicContact CE2-CB 4.14Å; F265-K267 HydrophobicContact CE2-CB 4.4Å; K267-E306 IonicContact NZ-OE1 3.38Å; K267-E306 PolarHBondContact NZ-OE1 3.34Å; K267-E306 IonicContact NZ-OE2 3.1Å; K267-E306 PolarHBondContact NZ-OE2 3.37Å
268	E	93.6	Very high	94.3	Very high	54 Å²	54	34.7 Å²	34.7	25%	0.252	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	138.9	171.2	-64.4	-175.1	136.6	0	0	110.5	F246 V270 S271	F246-E268 HydrophobicContact CD1-CG 3.96Å; F246-E268 HydrophobicContact CE1-CG 3.48Å; F246-E268 VanDerWaalsContact CE1-CG 3.48Å; F246-E268 HydrophobicContact CZ-CG 4.25Å; E268-V270 VanDerWaalsContact C-N 3.25Å; E268-V270 PolarHBondContact O-N 3.49Å; E268-S271 WeakPolarHBondContact OE2-CB 3.24Å; E268-S271 PolarHBondContact OE2-OG 3.33Å
269	K	92.5	Very high	94.3	Very high	86 Å²	86	35.1 Å²	35.1	37%	0.374	20%	0.2	S	C	.	.	S	Bend	trans	-65	-34.1	174.3	-71.8	171	177.9	177.2	0	112	D215 S244 P245 I247	D215-K269 WeakPolarHBondContact OD1-CE 3.28Å; D215-K269 IonicContact OD1-NZ 3.74Å; D215-K269 PolarHBondContact OD1-NZ 2.79Å; D215-K269 WeakPolarHBondContact OD2-CE 3.48Å; D215-K269 IonicContact OD2-NZ 3.94Å; D215-K269 PolarHBondContact OD2-NZ 3.36Å; S244-K269 WeakPolarHBondContact O-CE 3.31Å; S244-K269 PolarHBondContact O-NZ 3.04Å; P245-K269 WeakPolarHBondContact O-CB 3.28Å; P245-K269 VanDerWaalsContact O-CG 3.31Å; P245-K269 WeakPolarHBondContact O-CG 3.37Å; P245-K269 PolarHBondContact O-N 3.47Å; I247-K269 HydrophobicContact CD1-CD 4.28Å; I247-K269 HydrophobicContact CD1-CG 3.92Å; I247-K269 HydrophobicContact CG1-CG 3.77Å
270	V	89.4	Confident	94.2	Very high	133 Å²	133	35.5 Å²	35.5	81%	0.806	20%	0.201	S	C	*	.	S	Bend	trans	-135.9	115.7	176.5	-177.5	0	0	0	0	106.5	E268	E268-V270 VanDerWaalsContact C-N 3.25Å; E268-V270 PolarHBondContact O-N 3.49Å
271	S	87.9	Confident	94.1	Very high	21 Å²	21	35 Å²	35	15%	0.147	20%	0.199	C	C	.	.			trans	-121	124	178.8	-166.8	0	0	0	0	109	E268 D273 N274 Y275	E268-S271 WeakPolarHBondContact OE2-CB 3.24Å; E268-S271 PolarHBondContact OE2-OG 3.33Å; S271-D273 VanDerWaalsContact C-N 3.29Å; S271-N274 PolarHBondContact O-N 3.43Å; S271-Y275 WeakPolarHBondContact OG-CD2 3.41Å; S271-Y275 PolarHBondContact OG-N 3.12Å
272	A	84.6	Confident	94.1	Very high	96 Å²	96	35.7 Å²	35.7	79%	0.793	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-36.1	178.1	0	0	0	0	0	111.4	N274	A272-N274 VanDerWaalsContact C-N 3.34Å
273	D	87.2	Confident	94.1	Very high	101 Å²	101	35.9 Å²	35.9	54%	0.54	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	7.9	-177.6	-56.8	-46.8	0	0	0	112.9	S271 Y275	S271-D273 VanDerWaalsContact C-N 3.29Å; D273-Y275 VanDerWaalsContact C-N 3.33Å; D273-Y275 HydrophobicContact CB-CD1 4.49Å; D273-Y275 HydrophobicContact CB-CD2 4.14Å; D273-Y275 HydrophobicContact CB-CE1 4.05Å; D273-Y275 HydrophobicContact CB-CE2 3.64Å; D273-Y275 PolarHBondContact O-N 2.05Å; D273-Y275 WeakPolarHBondContact OD2-CE2 3.44Å; D273-Y275 PolarHBondContact OD2-OH 2.9Å
274	N	91.2	Very high	94	Very high	80 Å²	80	37.2 Å²	37.2	43%	0.428	21%	0.213	S	C	.	.			trans	56.1	42.3	-175.9	-60.8	-52.5	0	0	0	113.5	S271 A272 N276 I308 G310	S271-N274 PolarHBondContact O-N 3.43Å; A272-N274 VanDerWaalsContact C-N 3.34Å; N274-N276 PolarHBondContact O-N 2.83Å; N274-N276 VanDerWaalsContact O-N 3.08Å; N274-I308 HydrophobicContact CB-CG2 3.74Å; N274-G310 WeakPolarHBondContact O-CA 3.42Å
275	Y	93.7	Very high	93.9	Very high	54 Å²	54	38.6 Å²	38.6	21%	0.212	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	115.1	172.9	-63.5	-52.6	0	0	0	110.3	S271 D273 L277 T311 E313	S271-Y275 WeakPolarHBondContact OG-CD2 3.41Å; S271-Y275 PolarHBondContact OG-N 3.12Å; D273-Y275 VanDerWaalsContact C-N 3.33Å; D273-Y275 HydrophobicContact CB-CD1 4.49Å; D273-Y275 HydrophobicContact CB-CD2 4.14Å; D273-Y275 HydrophobicContact CB-CE1 4.05Å; D273-Y275 HydrophobicContact CB-CE2 3.64Å; D273-Y275 PolarHBondContact O-N 2.05Å; D273-Y275 WeakPolarHBondContact OD2-CE2 3.44Å; D273-Y275 PolarHBondContact OD2-OH 2.9Å; Y275-L277 VanDerWaalsContact C-N 3.28Å; Y275-T311 WeakPolarHBondContact CA-O 3.32Å; Y275-T311 HydrophobicContact CD1-CG2 3.73Å; Y275-T311 HydrophobicContact CE1-CG2 3.83Å; Y275-E313 HydrophobicContact CD1-CB 4.31Å; Y275-E313 HydrophobicContact CG-CB 4.3Å
276	N	94.7	Very high	93.7	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-12.4	175.6	70.9	-28.8	0	0	0	112.2	N274 S299 A303 T311	N274-N276 PolarHBondContact O-N 2.83Å; N274-N276 VanDerWaalsContact O-N 3.08Å; N276-S299 PolarHBondContact ND2-O 3.03Å; N276-A303 HydrophobicContact CB-CB 4.27Å; N276-T311 PolarHBondContact N-O 3.14Å; N276-T311 PolarHBondContact OD1-O 3.35Å
277	L	96.2	Very high	93.5	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	126.3	177.8	-171	143.5	0	0	0	110.1	F265 Y275 I280 P312 E313 Y324	F265-L277 HydrophobicContact CB-CD1 3.48Å; F265-L277 VanDerWaalsContact CB-CD1 3.48Å; F265-L277 HydrophobicContact CB-CG 3.88Å; F265-L277 HydrophobicContact CD1-CD1 4.24Å; F265-L277 HydrophobicContact CD2-CB 4.46Å; F265-L277 HydrophobicContact CD2-CD1 3.77Å; F265-L277 HydrophobicContact CD2-CG 3.94Å; F265-L277 HydrophobicContact CG-CD1 3.58Å; F265-L277 HydrophobicContact CG-CG 4.14Å; Y275-L277 VanDerWaalsContact C-N 3.28Å; L277-I280 HydrophobicContact CD1-CB 4.03Å; L277-I280 HydrophobicContact CD1-CD1 4.13Å; L277-I280 HydrophobicContact CD1-CG1 4.47Å; L277-I280 HydrophobicContact CD2-CB 3.74Å; L277-I280 HydrophobicContact CD2-CG2 3.82Å; L277-I280 HydrophobicContact CG-CB 4.39Å; L277-P312 WeakPolarHBondContact O-CA 3.27Å; L277-E313 PolarHBondContact O-N 3.06Å; L277-Y324 WeakPolarHBondContact CD1-OH 3.41Å
278	A	94.1	Very high	93.1	Very high	13 Å²	13	48.5 Å²	48.5	11%	0.107	26%	0.261	C	S	.	.	S	Bend	trans	-94.9	-66.5	177.1	0	0	0	0	0	111.3	F246 S266 E313	F246-A278 HydrophobicContact CD1-CB 4.41Å; F246-A278 HydrophobicContact CE1-CB 4.01Å; S266-A278 PolarHBondContact O-N 3.19Å; A278-E313 VanDerWaalsContact CA-OE2 3.25Å; A278-E313 WeakPolarHBondContact CA-OE2 3.33Å; A278-E313 VanDerWaalsContact CB-OE2 3.24Å; A278-E313 WeakPolarHBondContact CB-OE2 3.03Å
279	C	95	Very high	93	Very high	20 Å²	20	49.3 Å²	49.3	14%	0.135	26%	0.262	C	S	.	.			trans	-116.7	143.4	174.4	-62.2	0	0	0	0	109.9	L234 K237 F265 S266	L234-C279 HydrophobicContact CD1-CB 4.25Å; K237-C279 PolarHBondContact NZ-SG 3.46Å; F265-C279 CarbonylContact C-O 3.58Å; F265-C279 WeakPolarHBondContact CA-O 3.46Å; F265-C279 WeakPolarHBondContact CB-O 3.39Å; S266-C279 PolarHBondContact N-O 2.81Å; S266-C279 WeakPolarHBondContact OG-CB 3.4Å; S266-C279 PolarHBondContact OG-N 2.8Å
280	I	96.5	Very high	92.9	Very high	28 Å²	28	46.6 Å²	46.6	14%	0.144	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.7	171.6	-178	170.1	0	0	0	109.9	Y264 F265 L277 L295 I296	Y264-I280 WeakPolarHBondContact O-CA 3.03Å; F265-I280 HydrophobicContact CB-CB 4.17Å; F265-I280 HydrophobicContact CB-CG1 4.35Å; L277-I280 HydrophobicContact CD1-CB 4.03Å; L277-I280 HydrophobicContact CD1-CD1 4.13Å; L277-I280 HydrophobicContact CD1-CG1 4.47Å; L277-I280 HydrophobicContact CD2-CB 3.74Å; L277-I280 HydrophobicContact CD2-CG2 3.82Å; L277-I280 HydrophobicContact CG-CB 4.39Å; I280-L295 HydrophobicContact CD1-CB 3.75Å; I280-L295 HydrophobicContact CD1-CD1 4.24Å; I280-L295 HydrophobicContact CG1-CB 4.39Å; I280-L295 HydrophobicContact CG1-CD1 4.08Å; I280-I296 HydrophobicContact CD1-CD1 4.47Å; I280-I296 HydrophobicContact CD1-CG1 3.81Å
281	L	96.7	Very high	93.1	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	133.6	174.3	179.4	64.2	0	0	0	110.6	A230 F233 L234 G263 Y264 L283	A230-L281 HydrophobicContact CB-CD2 3.79Å; F233-L281 HydrophobicContact CB-CD1 3.71Å; F233-L281 HydrophobicContact CB-CD2 4.16Å; F233-L281 HydrophobicContact CD2-CD2 4.07Å; L234-L281 HydrophobicContact CD1-CB 4.37Å; L234-L281 HydrophobicContact CD2-CB 4.48Å; L234-L281 HydrophobicContact CD2-CD1 4.14Å; L234-L281 HydrophobicContact CG-CD1 4.42Å; G263-L281 CarbonylContact C-O 3.51Å; G263-L281 WeakPolarHBondContact CA-O 3.35Å; Y264-L281 HydrophobicContact CD1-CB 4.2Å; Y264-L281 HydrophobicContact CE1-CB 3.89Å; Y264-L281 HydrophobicContact CE1-CD2 4.29Å; Y264-L281 PolarHBondContact N-O 3.45Å; Y264-L281 PolarHBondContact O-N 3.23Å; L281-L283 HydrophobicContact CD2-CD2 3.97Å
282	T	97.2	Very high	93.4	Very high	16 Å²	16	40 Å²	40	10%	0.098	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.6	156.2	-58.9	0	0	0	0	107	F286 Q287 Y291 G292	T282-F286 HydrophobicContact CG2-CB 4Å; T282-Q287 HydrophobicContact CG2-CG 4.03Å; T282-Q287 WeakPolarHBondContact O-CG 3.11Å; T282-Q287 PolarHBondContact O-NE2 2.71Å; T282-Y291 HydrophobicContact CG2-CD2 4.21Å; T282-G292 PolarHBondContact OG1-N 2.92Å
283	L	97.6	Very high	93.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.189	C	C	.	.			trans	-60.8	145	-178.1	-64.3	171.8	0	0	0	110	F146 L229 F233 L261 V262 L281 P285 F286 Q287	F146-L283 HydrophobicContact CD1-CD1 4.31Å; F146-L283 HydrophobicContact CE1-CD1 3.91Å; F146-L283 HydrophobicContact CZ-CD1 4.3Å; L229-L283 HydrophobicContact CD2-CD2 4.31Å; L229-L283 HydrophobicContact CG-CD2 4.3Å; F233-L283 HydrophobicContact CD2-CD2 4.07Å; F233-L283 HydrophobicContact CE2-CD2 3.94Å; L261-L283 HydrophobicContact CD2-CD1 4.08Å; L261-L283 HydrophobicContact CG-CD1 4.03Å; V262-L283 PolarHBondContact O-N 2.87Å; L281-L283 HydrophobicContact CD2-CD2 3.97Å; L283-P285 VanDerWaalsContact C-CD 3.41Å; L283-P285 VanDerWaalsContact O-N 3.13Å; L283-F286 HydrophobicContact CB-CD2 3.89Å; L283-F286 HydrophobicContact CB-CE2 4.23Å; L283-F286 HydrophobicContact CD1-CE2 4.27Å; L283-F286 PolarHBondContact O-N 3.03Å; L283-Q287 PolarHBondContact O-N 2.93Å
284	P	96.2	Very high	94.1	Very high	29 Å²	29	32.3 Å²	32.3	19%	0.188	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-49.4	-42.9	-170.9	-27.2	33.4	0	0	0	115.7	I151 W154 F233 F286 Q287	I151-P284 HydrophobicContact CG2-CB 4.01Å; I151-P284 HydrophobicContact CG2-CG 3.81Å; W154-P284 HydrophobicContact CH2-CG 4.29Å; W154-P284 HydrophobicContact CZ2-CB 4.09Å; W154-P284 HydrophobicContact CZ2-CG 3.82Å; F233-P284 HydrophobicContact CD1-CG 3.57Å; F233-P284 HydrophobicContact CE1-CG 3.55Å; F233-P284 HydrophobicContact CG-CG 4.21Å; F233-P284 HydrophobicContact CZ-CG 4.16Å; P284-F286 PolarHBondContact O-N 3.04Å; P284-F286 VanDerWaalsContact O-N 3.08Å; P284-Q287 PolarHBondContact O-N 3.1Å
285	P	95.9	Very high	94.5	Very high	30 Å²	30	28.5 Å²	28.5	20%	0.195	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-60.3	-22.9	179.8	-25.3	36.1	0	0	0	114.7	Y149 I151 L283 R289	Y149-P285 HydrophobicContact CD1-CB 3.85Å; Y149-P285 HydrophobicContact CD1-CG 4.09Å; Y149-P285 HydrophobicContact CD2-CB 4.32Å; Y149-P285 HydrophobicContact CD2-CG 4.32Å; Y149-P285 HydrophobicContact CE1-CB 3.96Å; Y149-P285 HydrophobicContact CE2-CB 4.41Å; Y149-P285 HydrophobicContact CG-CB 4.03Å; Y149-P285 HydrophobicContact CG-CG 3.89Å; I151-P285 HydrophobicContact CD1-CG 3.58Å; I151-P285 HydrophobicContact CG1-CG 3.78Å; L283-P285 VanDerWaalsContact C-CD 3.41Å; L283-P285 VanDerWaalsContact O-N 3.13Å; P285-R289 PolarHBondContact O-NH2 3.44Å
286	F	95.2	Very high	94.6	Very high	6 Å²	6	26 Å²	26	3%	0.026	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-107	1.2	-174.3	-47.7	-73.7	0	0	0	113.7	Y149 L261 V262 T282 L283 P284 R289 Y291	Y149-F286 HydrophobicContact CD2-CZ 4.27Å; Y149-F286 AromaticContact CE2-CE1 3.89Å; Y149-F286 HydrophobicContact CE2-CE1 3.89Å; Y149-F286 HydrophobicContact CE2-CE2 4.49Å; Y149-F286 AromaticContact CE2-CZ 3.56Å; Y149-F286 HydrophobicContact CE2-CZ 3.56Å; L261-F286 WeakPolarHBondContact O-CE2 3.47Å; V262-F286 HydrophobicContact CB-CD2 4.24Å; V262-F286 HydrophobicContact CB-CG 4.33Å; V262-F286 HydrophobicContact CG1-CB 3.75Å; V262-F286 HydrophobicContact CG1-CD2 4.21Å; V262-F286 HydrophobicContact CG1-CG 3.96Å; V262-F286 HydrophobicContact CG2-CD1 4.07Å; V262-F286 HydrophobicContact CG2-CD2 4.21Å; V262-F286 HydrophobicContact CG2-CE1 4.15Å; V262-F286 HydrophobicContact CG2-CE2 4.31Å; V262-F286 HydrophobicContact CG2-CG 4.1Å; V262-F286 HydrophobicContact CG2-CZ 4.27Å; T282-F286 HydrophobicContact CG2-CB 4Å; L283-F286 HydrophobicContact CB-CD2 3.89Å; L283-F286 HydrophobicContact CB-CE2 4.23Å; L283-F286 HydrophobicContact CD1-CE2 4.27Å; L283-F286 PolarHBondContact O-N 3.03Å; P284-F286 PolarHBondContact O-N 3.04Å; P284-F286 VanDerWaalsContact O-N 3.08Å; F286-R289 WeakPolarHBondContact O-CG 3.35Å; F286-Y291 HydrophobicContact CB-CD2 3.83Å; F286-Y291 HydrophobicContact CB-CE2 3.89Å; F286-Y291 WeakPolarHBondContact O-CD2 3.46Å
287	Q	92.7	Very high	94.7	Very high	54 Å²	54	26.5 Å²	26.5	25%	0.252	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	159.1	179.7	-69.6	-178.9	-4.6	0	0	112.2	T282 L283 P284 R289	T282-Q287 HydrophobicContact CG2-CG 4.03Å; T282-Q287 WeakPolarHBondContact O-CG 3.11Å; T282-Q287 PolarHBondContact O-NE2 2.71Å; L283-Q287 PolarHBondContact O-N 2.93Å; P284-Q287 PolarHBondContact O-N 3.1Å; Q287-R289 PolarHBondContact O-N 3.03Å
288	R	88	Confident	94.8	Very high	174 Å²	174	26.3 Å²	26.3	66%	0.657	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	22.6	-179.8	-49.2	-179.9	64.9	130.1	4.8	114.7	F400	R288-F400 VanDerWaalsContact NH2-CZ 3.34Å
289	R	90.1	Very high	94.9	Very high	72 Å²	72	25.8 Å²	25.8	27%	0.272	13%	0.132	S	C	.	.	S	Bend	trans	-106.6	0.5	174.9	-57.6	-179.1	-169.1	-163.7	4.5	114	P285 F286 Q287 Y291	P285-R289 PolarHBondContact O-NH2 3.44Å; F286-R289 WeakPolarHBondContact O-CG 3.35Å; Q287-R289 PolarHBondContact O-N 3.03Å; R289-Y291 HydrophobicContact CB-CD2 4.01Å; R289-Y291 HydrophobicContact CB-CE2 3.84Å; R289-Y291 HydrophobicContact CG-CE2 4.49Å
290	G	90.2	Very high	95	Very high	28 Å²	28	24.9 Å²	24.9	29%	0.289	13%	0.126	S	C	.	.	S	Bend	trans	101	-9.5	-178.8	0	0	0	0	0	114.8	G292 H293 F294	G290-G292 PolarHBondContact O-N 3.3Å; G290-H293 WeakPolarHBondContact O-CA 3.36Å; G290-H293 WeakPolarHBondContact O-CB 3.27Å; G290-H293 PolarHBondContact O-N 2.98Å; G290-F294 PolarHBondContact O-N 3.44Å
291	Y	94.4	Very high	95	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-38.1	-177.1	-61	-43.9	0	0	0	115.1	L209 L251 E253 V262 T282 F286 R289 H293 F294 L295 F419	L209-Y291 HydrophobicContact CD1-CE1 4.12Å; L209-Y291 HydrophobicContact CD2-CE1 3.82Å; L251-Y291 HydrophobicContact CD2-CD1 3.73Å; L251-Y291 HydrophobicContact CD2-CG 4.04Å; E253-Y291 VanDerWaalsContact CD-OH 3.32Å; E253-Y291 WeakPolarHBondContact OE1-CE2 3.37Å; E253-Y291 VanDerWaalsContact OE1-CZ 3.24Å; E253-Y291 PolarHBondContact OE1-OH 3.26Å; V262-Y291 HydrophobicContact CG1-CD1 4.19Å; V262-Y291 HydrophobicContact CG1-CD2 3.17Å; V262-Y291 HydrophobicContact CG1-CE1 4.43Å; V262-Y291 HydrophobicContact CG1-CE2 3.43Å; V262-Y291 VanDerWaalsContact CG1-CE2 3.43Å; V262-Y291 HydrophobicContact CG1-CG 3.59Å; T282-Y291 HydrophobicContact CG2-CD2 4.21Å; F286-Y291 HydrophobicContact CB-CD2 3.83Å; F286-Y291 HydrophobicContact CB-CE2 3.89Å; F286-Y291 WeakPolarHBondContact O-CD2 3.46Å; R289-Y291 HydrophobicContact CB-CD2 4.01Å; R289-Y291 HydrophobicContact CB-CE2 3.84Å; R289-Y291 HydrophobicContact CG-CE2 4.49Å; Y291-H293 VanDerWaalsContact C-N 3.32Å; Y291-H293 PolarHBondContact O-N 3.37Å; Y291-F294 WeakPolarHBondContact O-CB 3.45Å; Y291-F294 PolarHBondContact O-N 2.87Å; Y291-L295 VanDerWaalsContact O-CG 3.32Å; Y291-L295 WeakPolarHBondContact O-CG 3.4Å; Y291-L295 PolarHBondContact O-N 2.92Å; Y291-F419 HydrophobicContact CD1-CD2 4.17Å; Y291-F419 AromaticContact CE1-CD2 3.46Å; Y291-F419 HydrophobicContact CE1-CD2 3.46Å; Y291-F419 VanDerWaalsContact CE1-CD2 3.46Å; Y291-F419 AromaticContact CE1-CE2 3.63Å; Y291-F419 HydrophobicContact CE1-CE2 3.63Å; Y291-F419 HydrophobicContact CE1-CG 4.03Å; Y291-F419 HydrophobicContact CE1-CZ 4.31Å; Y291-F419 AromaticContact CZ-CD2 3.99Å; Y291-F419 AromaticContact CZ-CE2 3.68Å; Y291-F419 VanDerWaalsContact OH-CE2 3.28Å; Y291-F419 WeakPolarHBondContact OH-CE2 3.47Å
292	G	93.7	Very high	95	Very high	14 Å²	14	25.1 Å²	25.1	14%	0.144	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-42.7	173	0	0	0	0	0	112.3	T282 G290 L295 I296	T282-G292 PolarHBondContact OG1-N 2.92Å; G290-G292 PolarHBondContact O-N 3.3Å; G292-L295 PolarHBondContact O-N 3.5Å; G292-I296 VanDerWaalsContact O-CG1 3.27Å; G292-I296 WeakPolarHBondContact O-CG1 3.48Å; G292-I296 PolarHBondContact O-N 3.23Å
293	H	92.4	Very high	94.8	Very high	34 Å²	34	24.4 Å²	24.4	16%	0.157	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-39.4	176.3	-166.8	100.4	0	0	0	111.5	G290 Y291 S297 Y327	G290-H293 WeakPolarHBondContact O-CA 3.36Å; G290-H293 WeakPolarHBondContact O-CB 3.27Å; G290-H293 PolarHBondContact O-N 2.98Å; Y291-H293 VanDerWaalsContact C-N 3.32Å; Y291-H293 PolarHBondContact O-N 3.37Å; H293-S297 WeakPolarHBondContact O-CB 3.41Å; H293-S297 PolarHBondContact O-N 3.2Å; H293-S297 PolarHBondContact O-OG 3.3Å; H293-Y327 AromaticContact CE1-CD2 3.89Å; H293-Y327 AromaticContact NE2-CD2 3.88Å
294	F	95.8	Very high	94.7	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-49	174.6	-179.3	-79.7	0	0	0	111.6	Y204 L209 V211 L251 G290 Y291 I296 S297 L298 F419 L421	Y204-F294 AromaticContact CD1-CZ 3.96Å; Y204-F294 HydrophobicContact CD1-CZ 3.96Å; Y204-F294 HydrophobicContact CE1-CE2 4.05Å; Y204-F294 AromaticContact CE1-CZ 3.69Å; Y204-F294 HydrophobicContact CE1-CZ 3.69Å; Y204-F294 HydrophobicContact CG-CZ 4.49Å; L209-F294 HydrophobicContact CD1-CE2 4.35Å; V211-F294 HydrophobicContact CG2-CE1 3.8Å; V211-F294 HydrophobicContact CG2-CZ 4.25Å; L251-F294 HydrophobicContact CD1-CD1 4.06Å; L251-F294 HydrophobicContact CD1-CE1 3.77Å; L251-F294 HydrophobicContact CD1-CZ 4.35Å; L251-F294 HydrophobicContact CD2-CD1 3.95Å; L251-F294 HydrophobicContact CD2-CE1 4.48Å; G290-F294 PolarHBondContact O-N 3.44Å; Y291-F294 WeakPolarHBondContact O-CB 3.45Å; Y291-F294 PolarHBondContact O-N 2.87Å; F294-I296 PolarHBondContact O-N 3.23Å; F294-S297 WeakPolarHBondContact O-CB 3.22Å; F294-S297 PolarHBondContact O-N 3.28Å; F294-L298 PolarHBondContact O-N 3.18Å; F294-F419 HydrophobicContact CD2-CB 4.48Å; F294-L421 HydrophobicContact CD2-CB 4.16Å; F294-L421 HydrophobicContact CD2-CD1 4.47Å; F294-L421 HydrophobicContact CE1-CD1 4.14Å; F294-L421 HydrophobicContact CE2-CB 4Å; F294-L421 HydrophobicContact CE2-CD1 3.65Å; F294-L421 HydrophobicContact CE2-CG 4.46Å; F294-L421 HydrophobicContact CZ-CD1 3.45Å; F294-L421 VanDerWaalsContact CZ-CD1 3.45Å
295	L	97.6	Very high	94.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-41.9	179.8	-70	170.3	0	0	0	112	L251 F265 I280 Y291 G292 L298 S299	L251-L295 HydrophobicContact CB-CD2 3.71Å; L251-L295 HydrophobicContact CD2-CD2 4.09Å; L251-L295 HydrophobicContact CD2-CG 4.11Å; F265-L295 HydrophobicContact CD1-CB 4.2Å; F265-L295 HydrophobicContact CD1-CD2 3.98Å; I280-L295 HydrophobicContact CD1-CB 3.75Å; I280-L295 HydrophobicContact CD1-CD1 4.24Å; I280-L295 HydrophobicContact CG1-CB 4.39Å; I280-L295 HydrophobicContact CG1-CD1 4.08Å; Y291-L295 VanDerWaalsContact O-CG 3.32Å; Y291-L295 WeakPolarHBondContact O-CG 3.4Å; Y291-L295 PolarHBondContact O-N 2.92Å; G292-L295 PolarHBondContact O-N 3.5Å; L295-L298 PolarHBondContact O-N 3.28Å; L295-S299 PolarHBondContact O-N 3.39Å
296	I	97.1	Very high	94.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-42.3	174.2	-66.5	168.2	0	0	0	110.8	I280 G292 F294 L298 S299 Y300 Y324 Y327	I280-I296 HydrophobicContact CD1-CD1 4.47Å; I280-I296 HydrophobicContact CD1-CG1 3.81Å; G292-I296 VanDerWaalsContact O-CG1 3.27Å; G292-I296 WeakPolarHBondContact O-CG1 3.48Å; G292-I296 PolarHBondContact O-N 3.23Å; F294-I296 PolarHBondContact O-N 3.23Å; I296-L298 VanDerWaalsContact C-N 3.31Å; I296-L298 PolarHBondContact O-N 3.18Å; I296-S299 PolarHBondContact O-N 2.87Å; I296-S299 PolarHBondContact O-OG 3.48Å; I296-Y300 HydrophobicContact CG2-CD2 4Å; I296-Y300 HydrophobicContact CG2-CE2 4.07Å; I296-Y300 WeakPolarHBondContact O-CD2 3.38Å; I296-Y300 PolarHBondContact O-N 3.05Å; I296-Y324 HydrophobicContact CD1-CD1 4.27Å; I296-Y324 HydrophobicContact CD1-CD2 3.76Å; I296-Y324 HydrophobicContact CD1-CE1 4.37Å; I296-Y324 HydrophobicContact CD1-CE2 3.83Å; I296-Y324 HydrophobicContact CD1-CG 3.97Å; I296-Y324 HydrophobicContact CG1-CD2 4.37Å; I296-Y324 HydrophobicContact CG1-CE1 4.18Å; I296-Y324 HydrophobicContact CG1-CE2 3.95Å; I296-Y324 HydrophobicContact CG2-CD1 3.99Å; I296-Y324 HydrophobicContact CG2-CE1 3.75Å; I296-Y327 HydrophobicContact CB-CG 4.47Å; I296-Y327 HydrophobicContact CG2-CD1 3.49Å; I296-Y327 VanDerWaalsContact CG2-CD1 3.49Å; I296-Y327 HydrophobicContact CG2-CD2 3.98Å; I296-Y327 HydrophobicContact CG2-CE1 3.97Å; I296-Y327 HydrophobicContact CG2-CE2 4.41Å; I296-Y327 HydrophobicContact CG2-CG 3.5Å; I296-Y327 VanDerWaalsContact CG2-CG 3.5Å
297	S	96.2	Very high	94.3	Very high	16 Å²	16	36.7 Å²	36.7	11%	0.112	17%	0.174	C	C	.	.	H	α-helix	trans	-59.6	-46.5	176.3	-56.4	0	0	0	0	110.3	H293 F294 S299 Y300 E301 Y327	H293-S297 WeakPolarHBondContact O-CB 3.41Å; H293-S297 PolarHBondContact O-N 3.2Å; H293-S297 PolarHBondContact O-OG 3.3Å; F294-S297 WeakPolarHBondContact O-CB 3.22Å; F294-S297 PolarHBondContact O-N 3.28Å; S297-S299 PolarHBondContact O-N 3.41Å; S297-Y300 PolarHBondContact O-N 2.95Å; S297-E301 WeakPolarHBondContact O-CG 3.29Å; S297-E301 PolarHBondContact O-N 3.07Å; S297-Y327 WeakPolarHBondContact OG-CE2 3.49Å
298	L	97.7	Very high	94.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-45.5	177.5	179.5	60.3	0	0	0	111.8	V211 F265 F294 L295 I296 Y300 E301 L302 L421 L426	V211-L298 HydrophobicContact CB-CD2 4.39Å; V211-L298 HydrophobicContact CG1-CD2 3.86Å; V211-L298 HydrophobicContact CG2-CD2 4.06Å; F265-L298 HydrophobicContact CE1-CB 4.39Å; F265-L298 HydrophobicContact CE1-CD2 4.06Å; F265-L298 HydrophobicContact CE1-CG 4.17Å; F265-L298 HydrophobicContact CZ-CG 4.5Å; F294-L298 PolarHBondContact O-N 3.18Å; L295-L298 PolarHBondContact O-N 3.28Å; I296-L298 VanDerWaalsContact C-N 3.31Å; I296-L298 PolarHBondContact O-N 3.18Å; L298-Y300 VanDerWaalsContact C-N 3.26Å; L298-Y300 PolarHBondContact O-N 3.41Å; L298-E301 PolarHBondContact O-N 3.21Å; L298-L302 HydrophobicContact CD1-CD1 4.5Å; L298-L302 HydrophobicContact CD1-CD2 4.37Å; L298-L302 HydrophobicContact CD1-CG 4.17Å; L298-L302 HydrophobicContact CG-CD1 4.35Å; L298-L302 HydrophobicContact CG-CG 4.44Å; L298-L302 VanDerWaalsContact O-CG 3.29Å; L298-L302 WeakPolarHBondContact O-CG 3.44Å; L298-L302 PolarHBondContact O-N 2.75Å; L298-L421 HydrophobicContact CB-CD2 4.1Å; L298-L421 HydrophobicContact CD1-CD1 4.37Å; L298-L421 HydrophobicContact CD1-CD2 4.24Å; L298-L426 HydrophobicContact CD1-CD1 3.8Å; L298-L426 HydrophobicContact CD1-CD2 4.18Å
299	S	97.6	Very high	94.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-34.2	-179.7	73.3	0	0	0	0	113	N276 L295 I296 S297 A303	N276-S299 PolarHBondContact ND2-O 3.03Å; L295-S299 PolarHBondContact O-N 3.39Å; I296-S299 PolarHBondContact O-N 2.87Å; I296-S299 PolarHBondContact O-OG 3.48Å; S297-S299 PolarHBondContact O-N 3.41Å; S299-A303 PolarHBondContact O-N 3.49Å
300	Y	97.1	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-78.2	-34.3	174.1	-82.9	-72	0	0	0	113.6	I296 S297 L298 L302 A303 K304 Y324 Y327 W328 C352 I353	I296-Y300 HydrophobicContact CG2-CD2 4Å; I296-Y300 HydrophobicContact CG2-CE2 4.07Å; I296-Y300 WeakPolarHBondContact O-CD2 3.38Å; I296-Y300 PolarHBondContact O-N 3.05Å; S297-Y300 PolarHBondContact O-N 2.95Å; L298-Y300 VanDerWaalsContact C-N 3.26Å; L298-Y300 PolarHBondContact O-N 3.41Å; Y300-L302 VanDerWaalsContact C-N 3.32Å; Y300-A303 PolarHBondContact O-N 3.07Å; Y300-K304 WeakPolarHBondContact O-CG 3.4Å; Y300-K304 PolarHBondContact O-N 3.42Å; Y300-Y324 HydrophobicContact CE2-CD1 4.47Å; Y300-Y324 AromaticContact CE2-CE1 3.99Å; Y300-Y324 HydrophobicContact CE2-CE1 3.99Å; Y300-Y327 WeakPolarHBondContact CB-OH 3.34Å; Y300-Y327 HydrophobicContact CD2-CD1 4.01Å; Y300-Y327 AromaticContact CD2-CE1 3.17Å; Y300-Y327 HydrophobicContact CD2-CE1 3.17Å; Y300-Y327 AromaticContact CD2-CZ 3.66Å; Y300-Y327 HydrophobicContact CE2-CD1 4.04Å; Y300-Y327 AromaticContact CE2-CE1 3.56Å; Y300-Y327 HydrophobicContact CE2-CE1 3.56Å; Y300-Y327 AromaticContact CG-CE1 3.86Å; Y300-Y327 HydrophobicContact CG-CE1 3.86Å; Y300-W328 AromaticContact CE2-NE1 3.48Å; Y300-W328 AromaticContact CZ-NE1 3.37Å; Y300-W328 PolarHBondContact OH-NE1 2.99Å; Y300-C352 WeakPolarHBondContact CE1-O 3.35Å; Y300-I353 HydrophobicContact CD1-CG1 4.13Å; Y300-I353 HydrophobicContact CE1-CB 4.32Å; Y300-I353 HydrophobicContact CE1-CG1 3.68Å
301	E	96	Very high	95.2	Very high	41 Å²	41	26.6 Å²	26.6	19%	0.192	14%	0.137	C	C	.	.	H	α-helix	trans	-63.9	-39.1	172.6	-68.4	-48.5	135.5	0	0	111.7	S297 L298 K304 I305 L421 I423	S297-E301 WeakPolarHBondContact O-CG 3.29Å; S297-E301 PolarHBondContact O-N 3.07Å; L298-E301 PolarHBondContact O-N 3.21Å; E301-K304 WeakPolarHBondContact O-CB 3.5Å; E301-K304 PolarHBondContact O-N 3.38Å; E301-K304 IonicContact OE1-NZ 3.66Å; E301-K304 PolarHBondContact OE1-NZ 2.98Å; E301-K304 WeakPolarHBondContact OE2-CD 3.45Å; E301-K304 IonicContact OE2-NZ 3.21Å; E301-I305 WeakPolarHBondContact O-CG1 3.37Å; E301-I305 PolarHBondContact O-N 2.62Å; E301-I305 VanDerWaalsContact O-N 3.07Å; E301-L421 HydrophobicContact CB-CD2 4.17Å; E301-L421 HydrophobicContact CG-CD2 3.62Å; E301-I423 HydrophobicContact CB-CD1 3.93Å; E301-I423 HydrophobicContact CG-CD1 4.03Å
302	L	95.9	Very high	95.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-61.8	-44.4	171.8	-63.2	177.5	0	0	0	111.5	Y249 F265 L298 Y300 K304 I305 E306 L426 W428	Y249-L302 HydrophobicContact CD1-CD1 4.06Å; Y249-L302 HydrophobicContact CD2-CD1 4.41Å; Y249-L302 HydrophobicContact CE1-CD1 3.53Å; Y249-L302 HydrophobicContact CE2-CD1 3.93Å; Y249-L302 HydrophobicContact CG-CD1 4.45Å; Y249-L302 VanDerWaalsContact CZ-CD1 3.44Å; F265-L302 HydrophobicContact CZ-CD1 3.99Å; L298-L302 HydrophobicContact CD1-CD1 4.5Å; L298-L302 HydrophobicContact CD1-CD2 4.37Å; L298-L302 HydrophobicContact CD1-CG 4.17Å; L298-L302 HydrophobicContact CG-CD1 4.35Å; L298-L302 HydrophobicContact CG-CG 4.44Å; L298-L302 VanDerWaalsContact O-CG 3.29Å; L298-L302 WeakPolarHBondContact O-CG 3.44Å; L298-L302 PolarHBondContact O-N 2.75Å; Y300-L302 VanDerWaalsContact C-N 3.32Å; L302-K304 VanDerWaalsContact C-N 3.3Å; L302-K304 PolarHBondContact O-N 3.45Å; L302-I305 PolarHBondContact O-N 2.92Å; L302-E306 WeakPolarHBondContact O-CG 3.25Å; L302-E306 PolarHBondContact O-N 3.03Å; L302-L426 HydrophobicContact CD2-CD2 4.16Å; L302-W428 HydrophobicContact CD2-CB 4.31Å; L302-W428 HydrophobicContact CD2-CD2 3.41Å; L302-W428 VanDerWaalsContact CD2-CD2 3.41Å; L302-W428 HydrophobicContact CD2-CE3 3.63Å; L302-W428 HydrophobicContact CD2-CG 3.72Å; L302-W428 HydrophobicContact CD2-CH2 4.31Å; L302-W428 HydrophobicContact CD2-CZ2 4.18Å; L302-W428 HydrophobicContact CD2-CZ3 4.08Å
303	A	94.8	Very high	95	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-36.7	176.7	0	0	0	0	0	112.6	N276 S299 Y300 E306 Q307 I308 C352	N276-A303 HydrophobicContact CB-CB 4.27Å; S299-A303 PolarHBondContact O-N 3.49Å; Y300-A303 PolarHBondContact O-N 3.07Å; A303-E306 CarbonylContact O-C 3.41Å; A303-E306 PolarHBondContact O-N 2.88Å; A303-Q307 PolarHBondContact O-N 2.8Å; A303-I308 PolarHBondContact O-N 3.32Å; A303-C352 HydrophobicContact CB-CB 4.31Å
304	K	94.7	Very high	94.8	Very high	68 Å²	68	33.1 Å²	33.1	30%	0.296	16%	0.162	S	C	.	.	H	α-helix	trans	-64.2	-43.6	173.9	-72.5	169.4	-172.5	171.9	0	112.3	Y300 E301 L302 E306 Q307 C352	Y300-K304 WeakPolarHBondContact O-CG 3.4Å; Y300-K304 PolarHBondContact O-N 3.42Å; E301-K304 WeakPolarHBondContact O-CB 3.5Å; E301-K304 PolarHBondContact O-N 3.38Å; E301-K304 IonicContact OE1-NZ 3.66Å; E301-K304 PolarHBondContact OE1-NZ 2.98Å; E301-K304 WeakPolarHBondContact OE2-CD 3.45Å; E301-K304 IonicContact OE2-NZ 3.21Å; L302-K304 VanDerWaalsContact C-N 3.3Å; L302-K304 PolarHBondContact O-N 3.45Å; K304-E306 VanDerWaalsContact C-N 3.3Å; K304-E306 PolarHBondContact O-N 3.05Å; K304-Q307 PolarHBondContact O-N 3.13Å; K304-Q307 VanDerWaalsContact O-N 3.14Å; K304-C352 HydrophobicContact CG-CB 4.05Å
305	I	94	Very high	94.4	Very high	64 Å²	64	37.8 Å²	37.8	33%	0.328	19%	0.192	S	C	.	.	H	α-helix	trans	-63.5	-39.1	176.7	-64.1	165.9	0	0	0	110.5	E301 L302 Q307 L426 W428 P430	E301-I305 WeakPolarHBondContact O-CG1 3.37Å; E301-I305 PolarHBondContact O-N 2.62Å; E301-I305 VanDerWaalsContact O-N 3.07Å; L302-I305 PolarHBondContact O-N 2.92Å; I305-Q307 VanDerWaalsContact C-N 3.26Å; I305-Q307 PolarHBondContact O-N 2.79Å; I305-L426 HydrophobicContact CD1-CD2 3.8Å; I305-W428 HydrophobicContact CB-CE3 4.24Å; I305-W428 HydrophobicContact CB-CZ3 3.92Å; I305-W428 HydrophobicContact CD1-CE3 4Å; I305-W428 HydrophobicContact CD1-CZ3 4.5Å; I305-W428 HydrophobicContact CG2-CE3 3.89Å; I305-W428 HydrophobicContact CG2-CZ3 3.66Å; I305-P430 HydrophobicContact CG2-CB 4.48Å; I305-P430 HydrophobicContact CG2-CG 4.21Å
306	E	92.7	Very high	93.7	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-75	-13.4	175.7	-68.6	178.8	161.6	0	0	114.2	K267 L302 A303 K304 I308 W428 P430	K267-E306 IonicContact NZ-OE1 3.38Å; K267-E306 PolarHBondContact NZ-OE1 3.34Å; K267-E306 IonicContact NZ-OE2 3.1Å; K267-E306 PolarHBondContact NZ-OE2 3.37Å; L302-E306 WeakPolarHBondContact O-CG 3.25Å; L302-E306 PolarHBondContact O-N 3.03Å; A303-E306 CarbonylContact O-C 3.41Å; A303-E306 PolarHBondContact O-N 2.88Å; K304-E306 VanDerWaalsContact C-N 3.3Å; K304-E306 PolarHBondContact O-N 3.05Å; E306-I308 HydrophobicContact CB-CD1 3.95Å; E306-I308 HydrophobicContact CB-CG1 4.04Å; E306-W428 HydrophobicContact CG-CH2 3.65Å; E306-W428 HydrophobicContact CG-CZ3 4.06Å; E306-W428 WeakPolarHBondContact OE1-CH2 3.2Å; E306-P430 HydrophobicContact CG-CB 4.08Å
307	Q	92.5	Very high	93.3	Very high	173 Å²	173	41.8 Å²	41.8	81%	0.808	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	44.3	-173.1	-56.4	178.6	-5.7	0	0	112.8	A303 K304 I305	A303-Q307 PolarHBondContact O-N 2.8Å; K304-Q307 PolarHBondContact O-N 3.13Å; K304-Q307 VanDerWaalsContact O-N 3.14Å; I305-Q307 VanDerWaalsContact C-N 3.26Å; I305-Q307 PolarHBondContact O-N 2.79Å
308	I	92.7	Very high	92.7	Very high	45 Å²	45	42.1 Å²	42.1	23%	0.231	22%	0.218	C	C	.	.			trans	-114.7	133.6	179.3	-63.2	174.7	0	0	0	108.9	N274 A303 E306 G310 C352	N274-I308 HydrophobicContact CB-CG2 3.74Å; A303-I308 PolarHBondContact O-N 3.32Å; E306-I308 HydrophobicContact CB-CD1 3.95Å; E306-I308 HydrophobicContact CB-CG1 4.04Å; I308-G310 PolarHBondContact O-N 3.37Å; I308-C352 VanDerWaalsContact O-CB 3.29Å; I308-C352 WeakPolarHBondContact O-CB 3.49Å; I308-C352 PolarHBondContact O-SG 2.69Å
309	V	95.9	Very high	92.1	Very high	53 Å²	53	44.9 Å²	44.9	32%	0.321	23%	0.233	S	C	.	.			trans	-76.3	115.2	166.3	176.1	0	0	0	0	107.4	S348 A354	V309-S348 WeakPolarHBondContact CG1-OG 3.49Å; V309-A354 HydrophobicContact CG1-CB 4.28Å
310	G	94.2	Very high	91.7	Very high	1 Å²	1	45 Å²	45	1%	0.01	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-113.6	155.3	-172.9	0	0	0	0	0	113.5	N274 I308 C352 A354	N274-G310 WeakPolarHBondContact O-CA 3.42Å; I308-G310 PolarHBondContact O-N 3.37Å; G310-C352 PolarHBondContact N-O 3.49Å; G310-A354 PolarHBondContact O-N 3.34Å
311	T	95.8	Very high	91.3	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.11	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.1	173.1	-172.2	0	0	0	0	108.9	Y275 N276 D357	Y275-T311 WeakPolarHBondContact CA-O 3.32Å; Y275-T311 HydrophobicContact CD1-CG2 3.73Å; Y275-T311 HydrophobicContact CE1-CG2 3.83Å; N276-T311 PolarHBondContact N-O 3.14Å; N276-T311 PolarHBondContact OD1-O 3.35Å; T311-D357 VanDerWaalsContact CB-OD2 3.24Å; T311-D357 WeakPolarHBondContact CB-OD2 3.35Å; T311-D357 PolarHBondContact OG1-OD1 3.03Å; T311-D357 PolarHBondContact OG1-OD2 3.45Å
312	P	95.4	Very high	90.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	154	168.7	28.6	-34.5	0	0	0	112.2	L277 L316 Y324 W328	L277-P312 WeakPolarHBondContact O-CA 3.27Å; P312-L316 HydrophobicContact CB-CD2 3.88Å; P312-L316 HydrophobicContact CG-CD1 4.36Å; P312-L316 HydrophobicContact CG-CD2 3.91Å; P312-L316 HydrophobicContact CG-CG 4.45Å; P312-Y324 HydrophobicContact CB-CE1 3.97Å; P312-Y324 HydrophobicContact CB-CE2 4.01Å; P312-Y324 WeakPolarHBondContact CB-OH 3.37Å; P312-Y324 HydrophobicContact CG-CD1 4.09Å; P312-Y324 HydrophobicContact CG-CE1 3.69Å; P312-Y324 HydrophobicContact CG-CE2 4.19Å; P312-Y324 HydrophobicContact CG-CG 4.48Å; P312-W328 HydrophobicContact CG-CH2 4.16Å; P312-W328 HydrophobicContact CG-CZ2 4Å
313	E	90.1	Very high	90.5	Very high	79 Å²	79	50.4 Å²	50.4	37%	0.369	27%	0.265	S	S	.	.			trans	-58.7	142.6	166.1	-169.8	-179.4	164.2	0	0	110.5	Y275 L277 A278	Y275-E313 HydrophobicContact CD1-CB 4.31Å; Y275-E313 HydrophobicContact CG-CB 4.3Å; L277-E313 PolarHBondContact O-N 3.06Å; A278-E313 VanDerWaalsContact CA-OE2 3.25Å; A278-E313 WeakPolarHBondContact CA-OE2 3.33Å; A278-E313 VanDerWaalsContact CB-OE2 3.24Å; A278-E313 WeakPolarHBondContact CB-OE2 3.03Å
314	K	86.9	Confident	90.4	Very high	109 Å²	109	50.3 Å²	50.3	47%	0.474	27%	0.265	S	S	.	.	S	Bend	trans	-117.1	148.8	-175.4	-66.2	173.9	-176.5	175.5	0	109.5	D357	K314-D357 IonicContact NZ-OD1 3.56Å; K314-D357 PolarHBondContact NZ-OD1 3.37Å
315	P	86.8	Confident	90.2	Very high	98 Å²	98	48 Å²	48	64%	0.636	25%	0.254	S	S	*	.	S	Bend	cis	-80.2	144.2	4.1	32.1	-35	0	0	0	113.5
316	L	84.6	Confident	89.9	Confident	28 Å²	28	46.5 Å²	46.5	15%	0.147	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-71.5	137.5	171.7	-69.8	175.3	0	0	0	110.8	P312 R321 Y324 W328	P312-L316 HydrophobicContact CB-CD2 3.88Å; P312-L316 HydrophobicContact CG-CD1 4.36Å; P312-L316 HydrophobicContact CG-CD2 3.91Å; P312-L316 HydrophobicContact CG-CG 4.45Å; L316-R321 HydrophobicContact CB-CG 3.54Å; L316-R321 HydrophobicContact CD1-CG 4.19Å; L316-R321 PolarHBondContact O-NH1 3.22Å; L316-Y324 HydrophobicContact CD1-CD2 4.06Å; L316-Y324 HydrophobicContact CD1-CG 4.23Å; L316-Y324 HydrophobicContact CD2-CD2 3.77Å; L316-Y324 HydrophobicContact CD2-CE2 3.84Å; L316-W328 HydrophobicContact CD1-CH2 4.45Å
317	S	87.1	Confident	89.8	Confident	57 Å²	57	45.7 Å²	45.7	40%	0.399	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-60.5	162.1	167.4	67.3	0	0	0	0	111.4	L319 G320 R321	S317-L319 VanDerWaalsContact C-N 3.31Å; S317-L319 PolarHBondContact O-N 3.4Å; S317-G320 CarbonylContact O-C 3.4Å; S317-G320 WeakPolarHBondContact O-CA 3.41Å; S317-G320 PolarHBondContact O-N 3.06Å; S317-G320 VanDerWaalsContact O-N 3.1Å; S317-G320 PolarHBondContact OG-N 3.41Å; S317-R321 WeakPolarHBondContact O-CG 3.32Å; S317-R321 PolarHBondContact O-N 3.12Å
318	D	83.3	Confident	89.9	Confident	24 Å²	24	37.6 Å²	37.6	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-52.7	-47	174.3	65.6	-36.1	0	0	0	112.5	R63 R321 L322	R63-D318 IonicContact CZ-OD1 3.42Å; R63-D318 IonicContact CZ-OD2 2.93Å; R63-D318 IonicContact NH1-OD1 3.08Å; R63-D318 IonicContact NH1-OD2 2.69Å; R63-D318 PolarHBondContact NH1-OD2 2.85Å; R63-D318 IonicContact NH2-OD1 2.92Å; R63-D318 PolarHBondContact NH2-OD1 2.82Å; R63-D318 IonicContact NH2-OD2 2.8Å; R63-D318 PolarHBondContact NH2-OD2 3.11Å; D318-R321 PolarHBondContact O-N 2.98Å; D318-L322 WeakPolarHBondContact O-CG 3.48Å; D318-L322 PolarHBondContact O-N 2.87Å
319	L	86.5	Confident	89.8	Confident	57 Å²	57	35.7 Å²	35.7	30%	0.298	20%	0.197	S	C	.	.	H	α-helix	trans	-67.2	-37.7	176.6	-63.5	179.8	0	0	0	111.8	W154 S317 S323	W154-L319 HydrophobicContact CH2-CD1 4.19Å; W154-L319 HydrophobicContact CZ3-CD1 4.19Å; S317-L319 VanDerWaalsContact C-N 3.31Å; S317-L319 PolarHBondContact O-N 3.4Å; L319-S323 WeakPolarHBondContact O-CB 3.38Å; L319-S323 PolarHBondContact O-N 3.16Å; L319-S323 VanDerWaalsContact O-N 3.14Å; L319-S323 PolarHBondContact O-OG 3.44Å
320	G	89	Confident	89.5	Confident	6 Å²	6	35.3 Å²	35.3	6%	0.062	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-52.6	174.1	0	0	0	0	0	111.3	S317 L322 S323 Y324	S317-G320 CarbonylContact O-C 3.4Å; S317-G320 WeakPolarHBondContact O-CA 3.41Å; S317-G320 PolarHBondContact O-N 3.06Å; S317-G320 VanDerWaalsContact O-N 3.1Å; S317-G320 PolarHBondContact OG-N 3.41Å; G320-L322 VanDerWaalsContact C-N 3.35Å; G320-L322 PolarHBondContact O-N 2.83Å; G320-S323 PolarHBondContact O-N 3.2Å; G320-Y324 WeakPolarHBondContact O-CD2 3.46Å; G320-Y324 PolarHBondContact O-N 3.43Å
321	R	88.3	Confident	89.4	Confident	32 Å²	32	36.7 Å²	36.7	12%	0.121	20%	0.199	C	C	.	.	H	α-helix	trans	-54.2	-47.5	178.2	-75.2	-171	-73.8	-110.2	4.4	112.5	T111 L316 S317 D318 S323 R325	T111-R321 HydrophobicContact CG2-CB 4.29Å; L316-R321 HydrophobicContact CB-CG 3.54Å; L316-R321 HydrophobicContact CD1-CG 4.19Å; L316-R321 PolarHBondContact O-NH1 3.22Å; S317-R321 WeakPolarHBondContact O-CG 3.32Å; S317-R321 PolarHBondContact O-N 3.12Å; D318-R321 PolarHBondContact O-N 2.98Å; R321-S323 VanDerWaalsContact C-N 3.3Å; R321-S323 PolarHBondContact O-N 3.4Å; R321-R325 WeakPolarHBondContact O-CB 3.44Å; R321-R325 PolarHBondContact O-N 3.2Å
322	L	86	Confident	89.2	Confident	81 Å²	81	35.8 Å²	35.8	42%	0.424	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-40.3	178.4	-70.5	174.1	0	0	0	112	D318 G320 S326	D318-L322 WeakPolarHBondContact O-CG 3.48Å; D318-L322 PolarHBondContact O-N 2.87Å; G320-L322 VanDerWaalsContact C-N 3.35Å; G320-L322 PolarHBondContact O-N 2.83Å; L322-S326 WeakPolarHBondContact O-CB 3.46Å; L322-S326 PolarHBondContact O-N 2.62Å
323	S	89.6	Confident	88.9	Confident	42 Å²	42	36.1 Å²	36.1	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-71.4	-46.6	-178.9	-56	0	0	0	0	111.9	L319 G320 R321 S326 Y327	L319-S323 WeakPolarHBondContact O-CB 3.38Å; L319-S323 PolarHBondContact O-N 3.16Å; L319-S323 VanDerWaalsContact O-N 3.14Å; L319-S323 PolarHBondContact O-OG 3.44Å; G320-S323 PolarHBondContact O-N 3.2Å; R321-S323 VanDerWaalsContact C-N 3.3Å; R321-S323 PolarHBondContact O-N 3.4Å; S323-S326 PolarHBondContact O-N 3.15Å; S323-Y327 WeakPolarHBondContact O-CB 3.33Å; S323-Y327 PolarHBondContact O-N 2.8Å
324	Y	92.8	Very high	88.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-45.3	177	-89.1	-79.5	0	0	0	112.1	L277 I296 Y300 P312 L316 G320 S326 Y327 W328	L277-Y324 WeakPolarHBondContact CD1-OH 3.41Å; I296-Y324 HydrophobicContact CD1-CD1 4.27Å; I296-Y324 HydrophobicContact CD1-CD2 3.76Å; I296-Y324 HydrophobicContact CD1-CE1 4.37Å; I296-Y324 HydrophobicContact CD1-CE2 3.83Å; I296-Y324 HydrophobicContact CD1-CG 3.97Å; I296-Y324 HydrophobicContact CG1-CD2 4.37Å; I296-Y324 HydrophobicContact CG1-CE1 4.18Å; I296-Y324 HydrophobicContact CG1-CE2 3.95Å; I296-Y324 HydrophobicContact CG2-CD1 3.99Å; I296-Y324 HydrophobicContact CG2-CE1 3.75Å; Y300-Y324 HydrophobicContact CE2-CD1 4.47Å; Y300-Y324 AromaticContact CE2-CE1 3.99Å; Y300-Y324 HydrophobicContact CE2-CE1 3.99Å; P312-Y324 HydrophobicContact CB-CE1 3.97Å; P312-Y324 HydrophobicContact CB-CE2 4.01Å; P312-Y324 WeakPolarHBondContact CB-OH 3.37Å; P312-Y324 HydrophobicContact CG-CD1 4.09Å; P312-Y324 HydrophobicContact CG-CE1 3.69Å; P312-Y324 HydrophobicContact CG-CE2 4.19Å; P312-Y324 HydrophobicContact CG-CG 4.48Å; L316-Y324 HydrophobicContact CD1-CD2 4.06Å; L316-Y324 HydrophobicContact CD1-CG 4.23Å; L316-Y324 HydrophobicContact CD2-CD2 3.77Å; L316-Y324 HydrophobicContact CD2-CE2 3.84Å; G320-Y324 WeakPolarHBondContact O-CD2 3.46Å; G320-Y324 PolarHBondContact O-N 3.43Å; Y324-S326 PolarHBondContact O-N 3.03Å; Y324-Y327 PolarHBondContact O-N 2.84Å; Y324-Y327 VanDerWaalsContact O-N 3.15Å; Y324-W328 HydrophobicContact CD1-CD2 4.29Å; Y324-W328 AromaticContact CD1-CE2 3.57Å; Y324-W328 HydrophobicContact CD1-CH2 4.06Å; Y324-W328 AromaticContact CD1-CZ2 3.45Å; Y324-W328 HydrophobicContact CD1-CZ2 3.45Å; Y324-W328 VanDerWaalsContact CD1-CZ2 3.45Å; Y324-W328 AromaticContact CD1-NE1 3.86Å; Y324-W328 HydrophobicContact CE1-CZ2 4.1Å; Y324-W328 HydrophobicContact CG-CH2 4.34Å; Y324-W328 HydrophobicContact CG-CZ2 4.17Å; Y324-W328 WeakPolarHBondContact O-CB 3.46Å; Y324-W328 PolarHBondContact O-N 3.07Å
325	R	89.3	Confident	89.1	Confident	20 Å²	20	31.8 Å²	31.8	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-54.8	-51.6	175.1	-178.3	176.6	176.5	163.3	11.8	111.4	R321 Y327 W328 E329 W360 Y364	R321-R325 WeakPolarHBondContact O-CB 3.44Å; R321-R325 PolarHBondContact O-N 3.2Å; R325-Y327 VanDerWaalsContact C-N 3.28Å; R325-Y327 PolarHBondContact O-N 3.34Å; R325-W328 PolarHBondContact O-N 3.48Å; R325-E329 HydrophobicContact CG-CG 4.22Å; R325-E329 VanDerWaalsContact CG-OE1 3.31Å; R325-E329 WeakPolarHBondContact CG-OE1 3.17Å; R325-E329 IonicContact CZ-OE1 3.82Å; R325-E329 IonicContact NE-OE1 2.89Å; R325-E329 PolarHBondContact NE-OE1 2.98Å; R325-E329 IonicContact NH2-OE1 3.52Å; R325-E329 VanDerWaalsContact O-CB 3.29Å; R325-E329 WeakPolarHBondContact O-CB 3.3Å; R325-E329 WeakPolarHBondContact O-CG 3.35Å; R325-E329 PolarHBondContact O-N 2.94Å; R325-W360 HydrophobicContact CB-CH2 4Å; R325-W360 HydrophobicContact CB-CZ3 3.93Å; R325-W360 HydrophobicContact CG-CH2 4.33Å; R325-W360 HydrophobicContact CG-CZ3 4.2Å; R325-Y364 PolarHBondContact NH2-O 3.42Å
326	S	87.3	Confident	89.2	Confident	31 Å²	31	28.4 Å²	28.4	22%	0.217	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-37	179.6	178.4	0	0	0	0	112.7	L322 S323 Y324 K330	L322-S326 WeakPolarHBondContact O-CB 3.46Å; L322-S326 PolarHBondContact O-N 2.62Å; S323-S326 PolarHBondContact O-N 3.15Å; Y324-S326 PolarHBondContact O-N 3.03Å; S326-K330 WeakPolarHBondContact O-CB 3.4Å; S326-K330 PolarHBondContact O-N 2.91Å
327	Y	92	Very high	89.3	Confident	6 Å²	6	29.7 Å²	29.7	2%	0.024	16%	0.16	C	C	.	.	H	α-helix	trans	-70	-53.2	177.5	173.2	-93.7	0	0	0	111.8	H293 I296 S297 Y300 S323 Y324 R325 E329 K330 V331	H293-Y327 AromaticContact CE1-CD2 3.89Å; H293-Y327 AromaticContact NE2-CD2 3.88Å; I296-Y327 HydrophobicContact CB-CG 4.47Å; I296-Y327 HydrophobicContact CG2-CD1 3.49Å; I296-Y327 VanDerWaalsContact CG2-CD1 3.49Å; I296-Y327 HydrophobicContact CG2-CD2 3.98Å; I296-Y327 HydrophobicContact CG2-CE1 3.97Å; I296-Y327 HydrophobicContact CG2-CE2 4.41Å; I296-Y327 HydrophobicContact CG2-CG 3.5Å; I296-Y327 VanDerWaalsContact CG2-CG 3.5Å; S297-Y327 WeakPolarHBondContact OG-CE2 3.49Å; Y300-Y327 WeakPolarHBondContact CB-OH 3.34Å; Y300-Y327 HydrophobicContact CD2-CD1 4.01Å; Y300-Y327 AromaticContact CD2-CE1 3.17Å; Y300-Y327 HydrophobicContact CD2-CE1 3.17Å; Y300-Y327 AromaticContact CD2-CZ 3.66Å; Y300-Y327 HydrophobicContact CE2-CD1 4.04Å; Y300-Y327 AromaticContact CE2-CE1 3.56Å; Y300-Y327 HydrophobicContact CE2-CE1 3.56Å; Y300-Y327 AromaticContact CG-CE1 3.86Å; Y300-Y327 HydrophobicContact CG-CE1 3.86Å; S323-Y327 WeakPolarHBondContact O-CB 3.33Å; S323-Y327 PolarHBondContact O-N 2.8Å; Y324-Y327 PolarHBondContact O-N 2.84Å; Y324-Y327 VanDerWaalsContact O-N 3.15Å; R325-Y327 VanDerWaalsContact C-N 3.28Å; R325-Y327 PolarHBondContact O-N 3.34Å; Y327-E329 PolarHBondContact O-N 3.03Å; Y327-K330 WeakPolarHBondContact O-CB 3.45Å; Y327-K330 PolarHBondContact O-N 2.67Å; Y327-V331 HydrophobicContact CD1-CG2 4.42Å; Y327-V331 HydrophobicContact CD2-CG2 4.32Å; Y327-V331 HydrophobicContact CE1-CG2 3.93Å; Y327-V331 HydrophobicContact CE2-CG2 3.82Å; Y327-V331 WeakPolarHBondContact O-CG2 3.46Å; Y327-V331 PolarHBondContact O-N 2.91Å
328	W	94.1	Very high	89.5	Confident	3 Å²	3	34 Å²	34	1%	0.011	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-45.5	-179.3	-69.1	-30.2	0	0	0	112.2	Y300 P312 L316 Y324 R325 K330 V331 I332 D357 W360 T361	Y300-W328 AromaticContact CE2-NE1 3.48Å; Y300-W328 AromaticContact CZ-NE1 3.37Å; Y300-W328 PolarHBondContact OH-NE1 2.99Å; P312-W328 HydrophobicContact CG-CH2 4.16Å; P312-W328 HydrophobicContact CG-CZ2 4Å; L316-W328 HydrophobicContact CD1-CH2 4.45Å; Y324-W328 HydrophobicContact CD1-CD2 4.29Å; Y324-W328 AromaticContact CD1-CE2 3.57Å; Y324-W328 HydrophobicContact CD1-CH2 4.06Å; Y324-W328 AromaticContact CD1-CZ2 3.45Å; Y324-W328 HydrophobicContact CD1-CZ2 3.45Å; Y324-W328 VanDerWaalsContact CD1-CZ2 3.45Å; Y324-W328 AromaticContact CD1-NE1 3.86Å; Y324-W328 HydrophobicContact CE1-CZ2 4.1Å; Y324-W328 HydrophobicContact CG-CH2 4.34Å; Y324-W328 HydrophobicContact CG-CZ2 4.17Å; Y324-W328 WeakPolarHBondContact O-CB 3.46Å; Y324-W328 PolarHBondContact O-N 3.07Å; R325-W328 PolarHBondContact O-N 3.48Å; W328-K330 VanDerWaalsContact C-N 3.26Å; W328-K330 PolarHBondContact O-N 2.85Å; W328-V331 PolarHBondContact O-N 3.02Å; W328-I332 HydrophobicContact CB-CD1 4.02Å; W328-I332 VanDerWaalsContact O-CB 3.23Å; W328-I332 WeakPolarHBondContact O-CB 3.21Å; W328-I332 VanDerWaalsContact O-CG1 3.25Å; W328-I332 WeakPolarHBondContact O-CG1 3.35Å; W328-I332 PolarHBondContact O-N 2.8Å; W328-D357 HydrophobicContact CD2-CB 4.38Å; W328-D357 HydrophobicContact CE3-CB 4.35Å; W328-D357 HydrophobicContact CH2-CB 3.66Å; W328-D357 VanDerWaalsContact CH2-CG 3.45Å; W328-D357 HydrophobicContact CZ2-CB 3.67Å; W328-D357 WeakPolarHBondContact CZ2-OD2 3.43Å; W328-D357 HydrophobicContact CZ3-CB 4.02Å; W328-W360 AromaticContact CE3-CE3 3.85Å; W328-W360 HydrophobicContact CE3-CE3 3.85Å; W328-W360 AromaticContact CE3-CZ3 3.89Å; W328-W360 HydrophobicContact CE3-CZ3 3.89Å; W328-W360 AromaticContact CZ3-CE3 3.69Å; W328-W360 HydrophobicContact CZ3-CE3 3.69Å; W328-W360 AromaticContact CZ3-CZ3 3.86Å; W328-W360 HydrophobicContact CZ3-CZ3 3.86Å; W328-T361 HydrophobicContact CB-CG2 4Å; W328-T361 WeakPolarHBondContact CB-OG1 3.46Å
329	E	90.4	Very high	89.8	Confident	5 Å²	5	36 Å²	36	2%	0.023	18%	0.184	C	C	.	.	H	α-helix	trans	-54.5	-45.8	176.3	-75.4	176.3	175.8	0	0	110.6	R325 Y327 L333 T361 H365 Y387 L391	R325-E329 HydrophobicContact CG-CG 4.22Å; R325-E329 VanDerWaalsContact CG-OE1 3.31Å; R325-E329 WeakPolarHBondContact CG-OE1 3.17Å; R325-E329 IonicContact CZ-OE1 3.82Å; R325-E329 IonicContact NE-OE1 2.89Å; R325-E329 PolarHBondContact NE-OE1 2.98Å; R325-E329 IonicContact NH2-OE1 3.52Å; R325-E329 VanDerWaalsContact O-CB 3.29Å; R325-E329 WeakPolarHBondContact O-CB 3.3Å; R325-E329 WeakPolarHBondContact O-CG 3.35Å; R325-E329 PolarHBondContact O-N 2.94Å; Y327-E329 PolarHBondContact O-N 3.03Å; E329-L333 WeakPolarHBondContact O-CB 3.44Å; E329-L333 WeakPolarHBondContact O-CD1 3.49Å; E329-L333 WeakPolarHBondContact O-CG 3.43Å; E329-L333 PolarHBondContact O-N 3.08Å; E329-T361 HydrophobicContact CB-CG2 4.34Å; E329-T361 HydrophobicContact CG-CG2 3.64Å; E329-H365 IonicContact OE1-CD2 2.97Å; E329-Y387 HydrophobicContact CB-CE1 4.33Å; E329-Y387 PolarHBondContact OE2-OH 2.99Å; E329-L391 HydrophobicContact CB-CD1 4.48Å
330	K	88.9	Confident	89.8	Confident	44 Å²	44	37.9 Å²	37.9	19%	0.191	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-49.1	179.2	-173.5	177	-178.5	179.5	0	112.1	S326 Y327 W328 N334 L391	S326-K330 WeakPolarHBondContact O-CB 3.4Å; S326-K330 PolarHBondContact O-N 2.91Å; Y327-K330 WeakPolarHBondContact O-CB 3.45Å; Y327-K330 PolarHBondContact O-N 2.67Å; W328-K330 VanDerWaalsContact C-N 3.26Å; W328-K330 PolarHBondContact O-N 2.85Å; K330-N334 VanDerWaalsContact O-CB 3.26Å; K330-N334 WeakPolarHBondContact O-CB 3.2Å; K330-N334 PolarHBondContact O-N 3.25Å; K330-N334 VanDerWaalsContact O-N 3.12Å; K330-N334 PolarHBondContact O-ND2 3.37Å; K330-L391 HydrophobicContact CB-CD1 4.22Å
331	V	92.4	Very high	89.6	Confident	30 Å²	30	45.1 Å²	45.1	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-48.6	-177.3	173.2	0	0	0	0	111.2	Y327 W328 F335 T351 I353	Y327-V331 HydrophobicContact CD1-CG2 4.42Å; Y327-V331 HydrophobicContact CD2-CG2 4.32Å; Y327-V331 HydrophobicContact CE1-CG2 3.93Å; Y327-V331 HydrophobicContact CE2-CG2 3.82Å; Y327-V331 WeakPolarHBondContact O-CG2 3.46Å; Y327-V331 PolarHBondContact O-N 2.91Å; W328-V331 PolarHBondContact O-N 3.02Å; V331-F335 WeakPolarHBondContact O-CB 2.91Å; V331-F335 PolarHBondContact O-N 3.21Å; V331-T351 HydrophobicContact CG1-CG2 3.84Å; V331-I353 HydrophobicContact CB-CD1 4.32Å; V331-I353 HydrophobicContact CG1-CD1 3.93Å
332	I	92	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-47.7	-177	-67.2	166.2	0	0	0	110.4	W328 N334 F335 L336 L347 I353 I358 T361 L362	W328-I332 HydrophobicContact CB-CD1 4.02Å; W328-I332 VanDerWaalsContact O-CB 3.23Å; W328-I332 WeakPolarHBondContact O-CB 3.21Å; W328-I332 VanDerWaalsContact O-CG1 3.25Å; W328-I332 WeakPolarHBondContact O-CG1 3.35Å; W328-I332 PolarHBondContact O-N 2.8Å; I332-N334 PolarHBondContact O-N 3.17Å; I332-F335 PolarHBondContact O-N 3.14Å; I332-L336 HydrophobicContact CG2-CD1 3.76Å; I332-L336 HydrophobicContact CG2-CG 4.24Å; I332-L336 WeakPolarHBondContact O-CB 3.37Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.43Å; I332-L336 PolarHBondContact O-N 2.93Å; I332-L347 HydrophobicContact CG2-CD1 4.42Å; I332-L347 HydrophobicContact CG2-CD2 3.98Å; I332-I353 HydrophobicContact CD1-CD1 4.37Å; I332-I353 HydrophobicContact CG1-CD1 4.01Å; I332-I358 HydrophobicContact CD1-CB 4.23Å; I332-I358 HydrophobicContact CD1-CG1 3.92Å; I332-I358 HydrophobicContact CD1-CG2 4.24Å; I332-I358 HydrophobicContact CG1-CG1 4.4Å; I332-T361 HydrophobicContact CD1-CG2 3.91Å; I332-L362 HydrophobicContact CG2-CD1 4.3Å; I332-L362 HydrophobicContact CG2-CD2 3.82Å; I332-L362 HydrophobicContact CG2-CG 4.29Å
333	L	89.4	Confident	89.9	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-36.6	-177.9	-66	176.2	0	0	0	112.5	E329 F337 L379 I384 Y387 L388	E329-L333 WeakPolarHBondContact O-CB 3.44Å; E329-L333 WeakPolarHBondContact O-CD1 3.49Å; E329-L333 WeakPolarHBondContact O-CG 3.43Å; E329-L333 PolarHBondContact O-N 3.08Å; L333-F337 VanDerWaalsContact O-CB 3.27Å; L333-F337 WeakPolarHBondContact O-CB 3.44Å; L333-F337 PolarHBondContact O-N 3.06Å; L333-L379 HydrophobicContact CD2-CD1 4.36Å; L333-I384 HydrophobicContact CB-CG2 4.14Å; L333-Y387 HydrophobicContact CD1-CD1 3.49Å; L333-Y387 VanDerWaalsContact CD1-CD1 3.49Å; L333-Y387 HydrophobicContact CD1-CE1 3.93Å; L333-Y387 HydrophobicContact CD1-CG 4.49Å; L333-L388 HydrophobicContact CB-CD2 4.07Å
334	N	90.3	Very high	89.9	Confident	65 Å²	65	45 Å²	45	35%	0.348	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-46	171.3	-80.1	-23	0	0	0	111	K330 I332 L336 F337 E338 L388	K330-N334 VanDerWaalsContact O-CB 3.26Å; K330-N334 WeakPolarHBondContact O-CB 3.2Å; K330-N334 PolarHBondContact O-N 3.25Å; K330-N334 VanDerWaalsContact O-N 3.12Å; K330-N334 PolarHBondContact O-ND2 3.37Å; I332-N334 PolarHBondContact O-N 3.17Å; N334-L336 PolarHBondContact O-N 3.31Å; N334-F337 WeakPolarHBondContact O-CB 3.18Å; N334-F337 PolarHBondContact O-N 3.1Å; N334-E338 PolarHBondContact O-N 3.47Å; N334-L388 WeakPolarHBondContact OD1-CD1 3.49Å; N334-L388 WeakPolarHBondContact OD1-CD2 3.49Å
335	F	91.5	Very high	89.9	Confident	33 Å²	33	49.9 Å²	49.9	15%	0.145	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-46.1	179.4	-172.4	-86.1	0	0	0	112	V331 I332 F337 E338 N339 C342 L347 K350 T351	V331-F335 WeakPolarHBondContact O-CB 2.91Å; V331-F335 PolarHBondContact O-N 3.21Å; I332-F335 PolarHBondContact O-N 3.14Å; F335-F337 VanDerWaalsContact C-N 3.3Å; F335-F337 PolarHBondContact O-N 3.48Å; F335-E338 PolarHBondContact O-N 3.37Å; F335-N339 HydrophobicContact CD1-CB 4.23Å; F335-N339 HydrophobicContact CE1-CB 3.89Å; F335-N339 HydrophobicContact CZ-CB 4.27Å; F335-N339 WeakPolarHBondContact O-CB 3.29Å; F335-N339 PolarHBondContact O-N 3.43Å; F335-N339 PolarHBondContact O-ND2 2.96Å; F335-C342 HydrophobicContact CE1-CB 3.98Å; F335-L347 HydrophobicContact CB-CD1 3.88Å; F335-L347 HydrophobicContact CD1-CB 4.32Å; F335-L347 HydrophobicContact CD1-CD1 3.3Å; F335-L347 HydrophobicContact CD1-CG 4.37Å; F335-L347 HydrophobicContact CE1-CB 4.2Å; F335-L347 HydrophobicContact CE1-CD1 3.98Å; F335-L347 HydrophobicContact CG-CD1 3.7Å; F335-K350 HydrophobicContact CD2-CB 4.37Å; F335-K350 HydrophobicContact CE2-CB 3.41Å; F335-K350 VanDerWaalsContact CE2-CB 3.41Å; F335-K350 HydrophobicContact CE2-CG 3.98Å; F335-K350 HydrophobicContact CZ-CB 3.61Å; F335-K350 HydrophobicContact CZ-CG 3.85Å; F335-T351 HydrophobicContact CB-CG2 4.14Å; F335-T351 HydrophobicContact CD2-CG2 4.02Å; F335-T351 HydrophobicContact CG-CG2 4.05Å
336	L	88.6	Confident	90.1	Very high	27 Å²	27	53.5 Å²	53.5	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-33	177.6	-70.4	175.6	0	0	0	112.4	I332 N334 E338 N339 P340 C342 L347 L362 L379	I332-L336 HydrophobicContact CG2-CD1 3.76Å; I332-L336 HydrophobicContact CG2-CG 4.24Å; I332-L336 WeakPolarHBondContact O-CB 3.37Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.43Å; I332-L336 PolarHBondContact O-N 2.93Å; N334-L336 PolarHBondContact O-N 3.31Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-N339 CarbonylContact O-C 3.48Å; L336-P340 WeakPolarHBondContact O-CA 3.21Å; L336-C342 VanDerWaalsContact CD2-SG 3.59Å; L336-L347 HydrophobicContact CD2-CD2 4.22Å; L336-L347 HydrophobicContact CG-CD2 4.48Å; L336-L362 HydrophobicContact CD1-CD2 4.18Å; L336-L379 HydrophobicContact CD1-CD1 3.88Å
337	F	87.2	Confident	90.4	Very high	55 Å²	55	52 Å²	52	24%	0.241	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-38.3	175.8	-176.7	-91	0	0	0	112.2	L333 N334 F335 R381 I384 Q385	L333-F337 VanDerWaalsContact O-CB 3.27Å; L333-F337 WeakPolarHBondContact O-CB 3.44Å; L333-F337 PolarHBondContact O-N 3.06Å; N334-F337 WeakPolarHBondContact O-CB 3.18Å; N334-F337 PolarHBondContact O-N 3.1Å; F335-F337 VanDerWaalsContact C-N 3.3Å; F335-F337 PolarHBondContact O-N 3.48Å; F337-R381 HydrophobicContact CD2-CG 3.9Å; F337-R381 HydrophobicContact CE2-CG 3.37Å; F337-R381 HydrophobicContact CZ-CG 4.18Å; F337-R381 VanDerWaalsContact CZ-NE 3.31Å; F337-I384 HydrophobicContact CB-CG2 4.18Å; F337-I384 HydrophobicContact CD2-CB 4.41Å; F337-I384 HydrophobicContact CD2-CG2 4.02Å; F337-Q385 HydrophobicContact CE2-CB 4.25Å
338	E	89.8	Confident	90.6	Very high	147 Å²	147	52.1 Å²	52.1	69%	0.687	28%	0.275	S	S	*	.	H	α-helix	trans	-81.4	-31	177.5	-67.8	179.3	177.2	0	0	112.6	N334 F335 L336 P340	N334-E338 PolarHBondContact O-N 3.47Å; F335-E338 PolarHBondContact O-N 3.37Å; L336-E338 VanDerWaalsContact C-N 3.34Å; E338-P340 VanDerWaalsContact C-CD 3.48Å; E338-P340 WeakPolarHBondContact O-CD 3.31Å
339	N	90.5	Very high	90.7	Very high	66 Å²	66	56.4 Å²	56.4	35%	0.353	30%	0.301	S	S	.	.			trans	-125.8	66.2	-173.2	-53.9	-86.5	0	0	0	111	F335 L336 N341 C342	F335-N339 HydrophobicContact CD1-CB 4.23Å; F335-N339 HydrophobicContact CE1-CB 3.89Å; F335-N339 HydrophobicContact CZ-CB 4.27Å; F335-N339 WeakPolarHBondContact O-CB 3.29Å; F335-N339 PolarHBondContact O-N 3.43Å; F335-N339 PolarHBondContact O-ND2 2.96Å; L336-N339 CarbonylContact O-C 3.48Å; N339-N341 PolarHBondContact O-N 3.47Å; N339-N341 VanDerWaalsContact O-N 3.11Å; N339-C342 HydrophobicContact CB-CB 4.07Å; N339-C342 WeakPolarHBondContact O-CB 3.17Å; N339-C342 PolarHBondContact O-N 3.41Å; N339-C342 VanDerWaalsContact O-N 3.15Å; N339-C342 PolarHBondContact O-SG 3.43Å
340	P	85.8	Confident	90.9	Very high	97 Å²	97	63.1 Å²	63.1	63%	0.63	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.5	-170.1	24.9	-35.7	0	0	0	114.9	L336 E338	L336-P340 WeakPolarHBondContact O-CA 3.21Å; E338-P340 VanDerWaalsContact C-CD 3.48Å; E338-P340 WeakPolarHBondContact O-CD 3.31Å
341	N	86.3	Confident	91.2	Very high	157 Å²	157	61.2 Å²	61.2	84%	0.84	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	15.2	-178.7	-61	-36.8	0	0	0	112.8	N339	N339-N341 PolarHBondContact O-N 3.47Å; N339-N341 VanDerWaalsContact O-N 3.11Å
342	C	89.3	Confident	91.5	Very high	30 Å²	30	60.1 Å²	60.1	20%	0.203	32%	0.316	C	S	.	.			trans	-70.9	149.6	-178.4	72.1	0	0	0	0	112.2	F335 L336 N339 E346	F335-C342 HydrophobicContact CE1-CB 3.98Å; L336-C342 VanDerWaalsContact CD2-SG 3.59Å; N339-C342 HydrophobicContact CB-CB 4.07Å; N339-C342 WeakPolarHBondContact O-CB 3.17Å; N339-C342 PolarHBondContact O-N 3.41Å; N339-C342 VanDerWaalsContact O-N 3.15Å; N339-C342 PolarHBondContact O-SG 3.43Å; C342-E346 WeakPolarHBondContact CA-OE2 3.48Å; C342-E346 HydrophobicContact CB-CB 4.28Å
343	T	90.5	Very high	91.7	Very high	73 Å²	73	60.1 Å²	60.1	45%	0.448	32%	0.316	S	S	.	.			trans	-79.5	161	169.7	69.3	0	0	0	0	111.5	N345 E346 L347	T343-N345 PolarHBondContact O-N 3.3Å; T343-E346 PolarHBondContact N-OE2 2.81Å; T343-E346 PolarHBondContact O-N 2.71Å; T343-E346 VanDerWaalsContact O-N 3.16Å; T343-E346 VanDerWaalsContact OG1-CG 3.28Å; T343-E346 WeakPolarHBondContact OG1-CG 3.31Å; T343-E346 PolarHBondContact OG1-N 3.45Å; T343-L347 PolarHBondContact O-N 2.77Å
344	M	88.7	Confident	92	Very high	49 Å²	49	60.6 Å²	60.6	24%	0.241	32%	0.321	C	S	.	.	H	α-helix	trans	-57.7	-37.1	173.7	-72.3	-66.5	-67.1	0	0	112.5	L347 S348 I355 I358 I359 W371	M344-L347 PolarHBondContact O-N 2.72Å; M344-S348 WeakPolarHBondContact O-CB 3.25Å; M344-S348 PolarHBondContact O-N 2.96Å; M344-I355 HydrophobicContact CE-CG2 4.11Å; M344-I358 HydrophobicContact CE-CB 4.03Å; M344-I358 HydrophobicContact CE-CG2 3.47Å; M344-I358 VanDerWaalsContact CE-CG2 3.47Å; M344-I358 HydrophobicContact SD-CG2 4.13Å; M344-I359 HydrophobicContact CE-CG1 3.87Å; M344-W371 HydrophobicContact CE-CH2 4.27Å; M344-W371 HydrophobicContact SD-CH2 4.48Å
345	N	92.8	Very high	92.1	Very high	103 Å²	103	60.4 Å²	60.4	55%	0.551	32%	0.319	S	S	*	.	H	α-helix	trans	-67.6	-39.3	177.2	-71.2	-24.5	0	0	0	111.9	T343 T349 I355	T343-N345 PolarHBondContact O-N 3.3Å; N345-T349 WeakPolarHBondContact O-CB 3.29Å; N345-T349 PolarHBondContact O-N 3.35Å; N345-T349 PolarHBondContact O-OG1 3.06Å; N345-I355 WeakPolarHBondContact OD1-CD1 3.26Å
346	E	94.3	Very high	92.2	Very high	96 Å²	96	64.3 Å²	64.3	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-46.1	174.8	-74.3	166.7	171.6	0	0	111.3	C342 T343 S348 T349 K350	C342-E346 WeakPolarHBondContact CA-OE2 3.48Å; C342-E346 HydrophobicContact CB-CB 4.28Å; T343-E346 PolarHBondContact N-OE2 2.81Å; T343-E346 PolarHBondContact O-N 2.71Å; T343-E346 VanDerWaalsContact O-N 3.16Å; T343-E346 VanDerWaalsContact OG1-CG 3.28Å; T343-E346 WeakPolarHBondContact OG1-CG 3.31Å; T343-E346 PolarHBondContact OG1-N 3.45Å; E346-S348 PolarHBondContact O-N 3.23Å; E346-T349 PolarHBondContact O-N 2.83Å; E346-K350 VanDerWaalsContact O-CB 3.25Å; E346-K350 WeakPolarHBondContact O-CB 3.21Å; E346-K350 WeakPolarHBondContact O-CG 3.33Å; E346-K350 PolarHBondContact O-N 3.36Å
347	L	93.6	Very high	92.4	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-49.4	175.3	172.4	62.2	0	0	0	110.9	I332 F335 L336 T343 M344 K350 T351 I358	I332-L347 HydrophobicContact CG2-CD1 4.42Å; I332-L347 HydrophobicContact CG2-CD2 3.98Å; F335-L347 HydrophobicContact CB-CD1 3.88Å; F335-L347 HydrophobicContact CD1-CB 4.32Å; F335-L347 HydrophobicContact CD1-CD1 3.3Å; F335-L347 HydrophobicContact CD1-CG 4.37Å; F335-L347 HydrophobicContact CE1-CB 4.2Å; F335-L347 HydrophobicContact CE1-CD1 3.98Å; F335-L347 HydrophobicContact CG-CD1 3.7Å; L336-L347 HydrophobicContact CD2-CD2 4.22Å; L336-L347 HydrophobicContact CG-CD2 4.48Å; T343-L347 PolarHBondContact O-N 2.77Å; M344-L347 PolarHBondContact O-N 2.72Å; L347-K350 PolarHBondContact O-N 3.11Å; L347-T351 HydrophobicContact CD1-CG2 3.66Å; L347-T351 WeakPolarHBondContact O-CB 3.24Å; L347-T351 WeakPolarHBondContact O-CG2 3.5Å; L347-T351 PolarHBondContact O-N 3.05Å; L347-T351 PolarHBondContact O-OG1 2.98Å; L347-I358 HydrophobicContact CD2-CD1 4.08Å; L347-I358 HydrophobicContact CD2-CG1 4.42Å; L347-I358 HydrophobicContact CD2-CG2 3.55Å; L347-I358 HydrophobicContact CG-CD1 3.85Å; L347-I358 HydrophobicContact CG-CG2 4.48Å
348	S	96.3	Very high	92.6	Very high	7 Å²	7	60.5 Å²	60.5	5%	0.049	32%	0.324	C	S	.	.	H	α-helix	trans	-61.5	-47.9	178.5	-179.2	0	0	0	0	111.9	V309 M344 E346 K350 C352 I353	V309-S348 WeakPolarHBondContact CG1-OG 3.49Å; M344-S348 WeakPolarHBondContact O-CB 3.25Å; M344-S348 PolarHBondContact O-N 2.96Å; E346-S348 PolarHBondContact O-N 3.23Å; S348-K350 PolarHBondContact O-N 3.5Å; S348-C352 WeakPolarHBondContact O-CA 3.37Å; S348-C352 PolarHBondContact O-N 3.28Å; S348-I353 WeakPolarHBondContact CA-O 3.23Å; S348-I353 VanDerWaalsContact CB-O 3.3Å; S348-I353 WeakPolarHBondContact CB-O 3.38Å; S348-I353 PolarHBondContact O-N 3.26Å; S348-I353 PolarHBondContact OG-O 2.81Å
349	T	96	Very high	92.6	Very high	93 Å²	93	55.9 Å²	55.9	57%	0.571	30%	0.304	S	S	*	.	H	α-helix	trans	-65.4	-38.6	-177.9	-58.9	0	0	0	0	111.8	N345 E346	N345-T349 WeakPolarHBondContact O-CB 3.29Å; N345-T349 PolarHBondContact O-N 3.35Å; N345-T349 PolarHBondContact O-OG1 3.06Å; E346-T349 PolarHBondContact O-N 2.83Å
350	K	95.1	Very high	92.4	Very high	146 Å²	146	55.2 Å²	55.2	64%	0.635	30%	0.296	S	S	*	.	H	α-helix	trans	-81.1	-31.7	-177.7	-68.8	-64.3	-173.5	-177.9	0	113.6	F335 E346 L347 S348	F335-K350 HydrophobicContact CD2-CB 4.37Å; F335-K350 HydrophobicContact CE2-CB 3.41Å; F335-K350 VanDerWaalsContact CE2-CB 3.41Å; F335-K350 HydrophobicContact CE2-CG 3.98Å; F335-K350 HydrophobicContact CZ-CB 3.61Å; F335-K350 HydrophobicContact CZ-CG 3.85Å; E346-K350 VanDerWaalsContact O-CB 3.25Å; E346-K350 WeakPolarHBondContact O-CB 3.21Å; E346-K350 WeakPolarHBondContact O-CG 3.33Å; E346-K350 PolarHBondContact O-N 3.36Å; L347-K350 PolarHBondContact O-N 3.11Å; S348-K350 PolarHBondContact O-N 3.5Å
351	T	95.6	Very high	92.5	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-91.2	-13.4	177.5	62.2	0	0	0	0	113	V331 F335 L347 I353	V331-T351 HydrophobicContact CG1-CG2 3.84Å; F335-T351 HydrophobicContact CB-CG2 4.14Å; F335-T351 HydrophobicContact CD2-CG2 4.02Å; F335-T351 HydrophobicContact CG-CG2 4.05Å; L347-T351 HydrophobicContact CD1-CG2 3.66Å; L347-T351 WeakPolarHBondContact O-CB 3.24Å; L347-T351 WeakPolarHBondContact O-CG2 3.5Å; L347-T351 PolarHBondContact O-N 3.05Å; L347-T351 PolarHBondContact O-OG1 2.98Å; T351-I353 PolarHBondContact O-N 3.45Å; T351-I353 PolarHBondContact OG1-N 3Å
352	C	97.1	Very high	92.4	Very high	7 Å²	7	43.5 Å²	43.5	5%	0.047	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	24.5	-171	-66.7	0	0	0	0	113.6	Y300 A303 K304 I308 G310 S348	Y300-C352 WeakPolarHBondContact CE1-O 3.35Å; A303-C352 HydrophobicContact CB-CB 4.31Å; K304-C352 HydrophobicContact CG-CB 4.05Å; I308-C352 VanDerWaalsContact O-CB 3.29Å; I308-C352 WeakPolarHBondContact O-CB 3.49Å; I308-C352 PolarHBondContact O-SG 2.69Å; G310-C352 PolarHBondContact N-O 3.49Å; S348-C352 WeakPolarHBondContact O-CA 3.37Å; S348-C352 PolarHBondContact O-N 3.28Å
353	I	97.1	Very high	91.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-98.9	131.4	177.6	-58.7	169.5	0	0	0	108.7	Y300 V331 I332 S348 T351 D357 I358	Y300-I353 HydrophobicContact CD1-CG1 4.13Å; Y300-I353 HydrophobicContact CE1-CB 4.32Å; Y300-I353 HydrophobicContact CE1-CG1 3.68Å; V331-I353 HydrophobicContact CB-CD1 4.32Å; V331-I353 HydrophobicContact CG1-CD1 3.93Å; I332-I353 HydrophobicContact CD1-CD1 4.37Å; I332-I353 HydrophobicContact CG1-CD1 4.01Å; S348-I353 WeakPolarHBondContact CA-O 3.23Å; S348-I353 VanDerWaalsContact CB-O 3.3Å; S348-I353 WeakPolarHBondContact CB-O 3.38Å; S348-I353 PolarHBondContact O-N 3.26Å; S348-I353 PolarHBondContact OG-O 2.81Å; T351-I353 PolarHBondContact O-N 3.45Å; T351-I353 PolarHBondContact OG1-N 3Å; I353-D357 HydrophobicContact CG2-CB 3.8Å; I353-I358 HydrophobicContact CB-CD1 4.33Å; I353-I358 HydrophobicContact CB-CG1 4.12Å; I353-I358 HydrophobicContact CG2-CD1 4.46Å; I353-I358 HydrophobicContact CG2-CG1 3.78Å; I353-I358 WeakPolarHBondContact O-CD1 3.42Å
354	A	95.9	Very high	91.1	Very high	17 Å²	17	46.9 Å²	46.9	14%	0.14	23%	0.234	C	C	.	.			trans	-57	145	176.1	0	0	0	0	0	112.2	V309 G310 D356 D357 I358	V309-A354 HydrophobicContact CG1-CB 4.28Å; G310-A354 PolarHBondContact O-N 3.34Å; A354-D356 VanDerWaalsContact C-N 3.26Å; A354-D356 PolarHBondContact O-N 2.88Å; A354-D357 PolarHBondContact O-N 3.48Å; A354-D357 VanDerWaalsContact O-N 3.09Å; A354-I358 WeakPolarHBondContact O-CG1 3.35Å; A354-I358 PolarHBondContact O-N 2.99Å; A354-I358 VanDerWaalsContact O-N 3.08Å
355	I	93.3	Very high	90.4	Very high	60 Å²	60	44.9 Å²	44.9	31%	0.308	22%	0.224	S	C	.	.	H	α-helix	trans	-57.8	-40.9	-177.7	-66.3	173.9	0	0	0	111.1	M344 N345 D357 I358 I359	M344-I355 HydrophobicContact CE-CG2 4.11Å; N345-I355 WeakPolarHBondContact OD1-CD1 3.26Å; I355-D357 VanDerWaalsContact C-N 3.3Å; I355-D357 PolarHBondContact O-N 3.03Å; I355-I358 WeakPolarHBondContact O-CB 3.42Å; I355-I358 PolarHBondContact O-N 2.58Å; I355-I358 VanDerWaalsContact O-N 3.14Å; I355-I359 HydrophobicContact CG2-CD1 3.72Å; I355-I359 HydrophobicContact CG2-CG1 4.19Å; I355-I359 WeakPolarHBondContact O-CG1 3.25Å; I355-I359 PolarHBondContact O-N 3.42Å
356	D	91.8	Very high	89.2	Confident	115 Å²	115	42.4 Å²	42.4	62%	0.615	21%	0.213	S	C	*	.	H	α-helix	trans	-62.1	-37.5	179	-62.3	-27.7	0	0	0	112.3	A354 I359 W360	A354-D356 VanDerWaalsContact C-N 3.26Å; A354-D356 PolarHBondContact O-N 2.88Å; D356-I359 PolarHBondContact O-N 2.96Å; D356-W360 VanDerWaalsContact O-CB 3.22Å; D356-W360 WeakPolarHBondContact O-CB 3.4Å; D356-W360 PolarHBondContact O-N 3.06Å
357	D	93.7	Very high	87.8	Confident	3 Å²	3	40 Å²	40	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-72.4	-32.1	177.6	-62.1	-25.4	0	0	0	111.3	T311 K314 W328 I353 A354 I355 T361	T311-D357 VanDerWaalsContact CB-OD2 3.24Å; T311-D357 WeakPolarHBondContact CB-OD2 3.35Å; T311-D357 PolarHBondContact OG1-OD1 3.03Å; T311-D357 PolarHBondContact OG1-OD2 3.45Å; K314-D357 IonicContact NZ-OD1 3.56Å; K314-D357 PolarHBondContact NZ-OD1 3.37Å; W328-D357 HydrophobicContact CD2-CB 4.38Å; W328-D357 HydrophobicContact CE3-CB 4.35Å; W328-D357 HydrophobicContact CH2-CB 3.66Å; W328-D357 VanDerWaalsContact CH2-CG 3.45Å; W328-D357 HydrophobicContact CZ2-CB 3.67Å; W328-D357 WeakPolarHBondContact CZ2-OD2 3.43Å; W328-D357 HydrophobicContact CZ3-CB 4.02Å; I353-D357 HydrophobicContact CG2-CB 3.8Å; A354-D357 PolarHBondContact O-N 3.48Å; A354-D357 VanDerWaalsContact O-N 3.09Å; I355-D357 VanDerWaalsContact C-N 3.3Å; I355-D357 PolarHBondContact O-N 3.03Å; D357-T361 VanDerWaalsContact O-CB 3.31Å; D357-T361 WeakPolarHBondContact O-CB 3.47Å; D357-T361 PolarHBondContact O-N 3.41Å; D357-T361 PolarHBondContact O-OG1 3.43Å
358	I	92	Very high	86.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-49.8	171.4	-64.6	163.7	0	0	0	110.1	I332 M344 L347 I353 A354 I355 W360 T361 L362	I332-I358 HydrophobicContact CD1-CB 4.23Å; I332-I358 HydrophobicContact CD1-CG1 3.92Å; I332-I358 HydrophobicContact CD1-CG2 4.24Å; I332-I358 HydrophobicContact CG1-CG1 4.4Å; M344-I358 HydrophobicContact CE-CB 4.03Å; M344-I358 HydrophobicContact CE-CG2 3.47Å; M344-I358 VanDerWaalsContact CE-CG2 3.47Å; M344-I358 HydrophobicContact SD-CG2 4.13Å; L347-I358 HydrophobicContact CD2-CD1 4.08Å; L347-I358 HydrophobicContact CD2-CG1 4.42Å; L347-I358 HydrophobicContact CD2-CG2 3.55Å; L347-I358 HydrophobicContact CG-CD1 3.85Å; L347-I358 HydrophobicContact CG-CG2 4.48Å; I353-I358 HydrophobicContact CB-CD1 4.33Å; I353-I358 HydrophobicContact CB-CG1 4.12Å; I353-I358 HydrophobicContact CG2-CD1 4.46Å; I353-I358 HydrophobicContact CG2-CG1 3.78Å; I353-I358 WeakPolarHBondContact O-CD1 3.42Å; A354-I358 WeakPolarHBondContact O-CG1 3.35Å; A354-I358 PolarHBondContact O-N 2.99Å; A354-I358 VanDerWaalsContact O-N 3.08Å; I355-I358 WeakPolarHBondContact O-CB 3.42Å; I355-I358 PolarHBondContact O-N 2.58Å; I355-I358 VanDerWaalsContact O-N 3.14Å; I358-W360 VanDerWaalsContact C-N 3.32Å; I358-W360 PolarHBondContact O-N 3.43Å; I358-T361 PolarHBondContact O-N 2.62Å; I358-L362 HydrophobicContact CG2-CD1 3.55Å; I358-L362 HydrophobicContact CG2-CG 4.27Å; I358-L362 WeakPolarHBondContact O-CB 3.14Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.14Å; I358-L362 PolarHBondContact O-N 2.92Å
359	I	88.7	Confident	84.7	Confident	49 Å²	49	46.8 Å²	46.8	25%	0.251	24%	0.241	S	C	.	.	H	α-helix	trans	-57.6	-49.5	177.6	-68.2	169.3	0	0	0	109.1	M344 I355 D356 T361 L362 Q363 W371	M344-I359 HydrophobicContact CE-CG1 3.87Å; I355-I359 HydrophobicContact CG2-CD1 3.72Å; I355-I359 HydrophobicContact CG2-CG1 4.19Å; I355-I359 WeakPolarHBondContact O-CG1 3.25Å; I355-I359 PolarHBondContact O-N 3.42Å; D356-I359 PolarHBondContact O-N 2.96Å; I359-T361 VanDerWaalsContact C-N 3.32Å; I359-T361 PolarHBondContact O-N 3.12Å; I359-L362 PolarHBondContact O-N 3.46Å; I359-Q363 WeakPolarHBondContact O-CB 3.49Å; I359-Q363 PolarHBondContact O-N 3.43Å; I359-W371 HydrophobicContact CB-CH2 4.42Å; I359-W371 HydrophobicContact CG1-CH2 3.87Å; I359-W371 HydrophobicContact CG1-CZ2 4.15Å; I359-W371 HydrophobicContact CG2-CH2 4.41Å; I359-W371 HydrophobicContact CG2-CZ2 4.33Å
360	W	87	Confident	82.9	Confident	53 Å²	53	46.2 Å²	46.2	20%	0.201	23%	0.234	C	C	.	.	H	α-helix	trans	-55.1	-48.3	176.3	-176.8	89.1	0	0	0	111.4	R325 W328 D356 I358 L362 Y364	R325-W360 HydrophobicContact CB-CH2 4Å; R325-W360 HydrophobicContact CB-CZ3 3.93Å; R325-W360 HydrophobicContact CG-CH2 4.33Å; R325-W360 HydrophobicContact CG-CZ3 4.2Å; W328-W360 AromaticContact CE3-CE3 3.85Å; W328-W360 HydrophobicContact CE3-CE3 3.85Å; W328-W360 AromaticContact CE3-CZ3 3.89Å; W328-W360 HydrophobicContact CE3-CZ3 3.89Å; W328-W360 AromaticContact CZ3-CE3 3.69Å; W328-W360 HydrophobicContact CZ3-CE3 3.69Å; W328-W360 AromaticContact CZ3-CZ3 3.86Å; W328-W360 HydrophobicContact CZ3-CZ3 3.86Å; D356-W360 VanDerWaalsContact O-CB 3.22Å; D356-W360 WeakPolarHBondContact O-CB 3.4Å; D356-W360 PolarHBondContact O-N 3.06Å; I358-W360 VanDerWaalsContact C-N 3.32Å; I358-W360 PolarHBondContact O-N 3.43Å; W360-L362 VanDerWaalsContact C-N 3.33Å; W360-L362 PolarHBondContact O-N 3.35Å; W360-Y364 AromaticContact CD1-CD2 3.76Å; W360-Y364 AromaticContact CD1-CE2 3.52Å; W360-Y364 HydrophobicContact CD2-CD2 4.35Å; W360-Y364 HydrophobicContact CG-CD2 4.1Å; W360-Y364 HydrophobicContact CG-CE2 4.22Å; W360-Y364 AromaticContact NE1-CD2 3.79Å; W360-Y364 AromaticContact NE1-CE2 3.7Å; W360-Y364 WeakPolarHBondContact O-CD2 3.12Å; W360-Y364 PolarHBondContact O-N 3.49Å
361	T	87.5	Confident	81.1	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-42.1	-179.8	-59.2	0	0	0	0	112	W328 E329 I332 D357 I358 I359 H365	W328-T361 HydrophobicContact CB-CG2 4Å; W328-T361 WeakPolarHBondContact CB-OG1 3.46Å; E329-T361 HydrophobicContact CB-CG2 4.34Å; E329-T361 HydrophobicContact CG-CG2 3.64Å; I332-T361 HydrophobicContact CD1-CG2 3.91Å; D357-T361 VanDerWaalsContact O-CB 3.31Å; D357-T361 WeakPolarHBondContact O-CB 3.47Å; D357-T361 PolarHBondContact O-N 3.41Å; D357-T361 PolarHBondContact O-OG1 3.43Å; I358-T361 PolarHBondContact O-N 2.62Å; I359-T361 VanDerWaalsContact C-N 3.32Å; I359-T361 PolarHBondContact O-N 3.12Å; T361-H365 WeakPolarHBondContact O-CB 3.34Å
362	L	84.1	Confident	79	Confident	3 Å²	3	48 Å²	48	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-81	-39.5	-174.5	-64.1	172.4	0	0	0	112.7	I332 L336 I358 I359 W360 Y364 H365 I368 W371 I377	I332-L362 HydrophobicContact CG2-CD1 4.3Å; I332-L362 HydrophobicContact CG2-CD2 3.82Å; I332-L362 HydrophobicContact CG2-CG 4.29Å; L336-L362 HydrophobicContact CD1-CD2 4.18Å; I358-L362 HydrophobicContact CG2-CD1 3.55Å; I358-L362 HydrophobicContact CG2-CG 4.27Å; I358-L362 WeakPolarHBondContact O-CB 3.14Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.14Å; I358-L362 PolarHBondContact O-N 2.92Å; I359-L362 PolarHBondContact O-N 3.46Å; W360-L362 VanDerWaalsContact C-N 3.33Å; W360-L362 PolarHBondContact O-N 3.35Å; L362-Y364 VanDerWaalsContact C-N 3.34Å; L362-Y364 PolarHBondContact O-N 2.8Å; L362-H365 WeakPolarHBondContact O-CB 3.49Å; L362-H365 PolarHBondContact O-N 3.3Å; L362-I368 HydrophobicContact CB-CD1 3.91Å; L362-I368 HydrophobicContact CD2-CD1 3.32Å; L362-I368 HydrophobicContact CG-CD1 4.21Å; L362-I368 WeakPolarHBondContact O-CB 3.31Å; L362-W371 HydrophobicContact CB-CE3 4.19Å; L362-W371 HydrophobicContact CB-CZ3 3.78Å; L362-W371 HydrophobicContact CD1-CZ3 4.01Å; L362-I377 HydrophobicContact CB-CD1 4.26Å; L362-I377 HydrophobicContact CD1-CD1 3.5Å; L362-I377 VanDerWaalsContact CD1-CD1 3.5Å; L362-I377 HydrophobicContact CG-CD1 4.35Å
363	Q	79.8	Confident	77	Confident	106 Å²	106	56 Å²	56	50%	0.495	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-38.4	-179.3	-179.5	176	-21.9	0	0	112.3	I359 H365	I359-Q363 WeakPolarHBondContact O-CB 3.49Å; I359-Q363 PolarHBondContact O-N 3.43Å; Q363-H365 VanDerWaalsContact C-N 3.34Å
364	Y	73.1	Confident	75.3	Confident	68 Å²	68	57.6 Å²	57.6	27%	0.267	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	8.7	179.8	-61.9	-69.7	0	0	0	113.4	V114 R325 W360 L362	V114-Y364 HydrophobicContact CG1-CE2 4.49Å; V114-Y364 HydrophobicContact CG2-CD1 3.97Å; V114-Y364 HydrophobicContact CG2-CD2 4.36Å; V114-Y364 HydrophobicContact CG2-CE1 3.54Å; V114-Y364 HydrophobicContact CG2-CE2 4.01Å; V114-Y364 HydrophobicContact CG2-CG 4.37Å; R325-Y364 PolarHBondContact NH2-O 3.42Å; W360-Y364 AromaticContact CD1-CD2 3.76Å; W360-Y364 AromaticContact CD1-CE2 3.52Å; W360-Y364 HydrophobicContact CD2-CD2 4.35Å; W360-Y364 HydrophobicContact CG-CD2 4.1Å; W360-Y364 HydrophobicContact CG-CE2 4.22Å; W360-Y364 AromaticContact NE1-CD2 3.79Å; W360-Y364 AromaticContact NE1-CE2 3.7Å; W360-Y364 WeakPolarHBondContact O-CD2 3.12Å; W360-Y364 PolarHBondContact O-N 3.49Å; L362-Y364 VanDerWaalsContact C-N 3.34Å; L362-Y364 PolarHBondContact O-N 2.8Å
365	H	74.7	Confident	73.7	Confident	7 Å²	7	64.6 Å²	64.6	3%	0.032	32%	0.324	C	S	.	.			trans	-84.8	122.4	179.2	-167.1	-87.7	0	0	0	111	E329 T361 L362 Q363 V367 I368 Y387	E329-H365 IonicContact OE1-CD2 2.97Å; T361-H365 WeakPolarHBondContact O-CB 3.34Å; L362-H365 WeakPolarHBondContact O-CB 3.49Å; L362-H365 PolarHBondContact O-N 3.3Å; Q363-H365 VanDerWaalsContact C-N 3.34Å; H365-V367 WeakPolarHBondContact ND1-CB 3.27Å; H365-V367 PolarHBondContact ND1-N 3.18Å; H365-V367 PolarHBondContact O-N 3.12Å; H365-I368 HydrophobicContact CB-CB 4.37Å; H365-I368 HydrophobicContact CB-CD1 3.77Å; H365-I368 HydrophobicContact CB-CG1 3.78Å; H365-I368 PolarHBondContact O-N 3.12Å; H365-Y387 AromaticContact NE2-CD1 3.56Å; H365-Y387 AromaticContact NE2-CE1 3.14Å; H365-Y387 WeakPolarHBondContact NE2-CE1 3.41Å; H365-Y387 AromaticContact NE2-CE2 3.72Å; H365-Y387 AromaticContact NE2-CG 3.99Å; H365-Y387 AromaticContact NE2-CZ 3.25Å
366	P	67.6	Low	72.4	Confident	51 Å²	51	68.5 Å²	68.5	33%	0.331	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.7	-169.2	26.6	-36.1	0	0	0	115
367	V	64.3	Low	71.3	Confident	46 Å²	46	65.3 Å²	65.3	28%	0.279	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-17.7	177.5	173.2	0	0	0	0	111.9	H365 N369 T383	H365-V367 WeakPolarHBondContact ND1-CB 3.27Å; H365-V367 PolarHBondContact ND1-N 3.18Å; H365-V367 PolarHBondContact O-N 3.12Å; V367-N369 PolarHBondContact O-N 3.24Å; V367-N369 VanDerWaalsContact O-N 3.11Å; V367-T383 HydrophobicContact CB-CG2 4.27Å; V367-T383 HydrophobicContact CG1-CG2 3.24Å; V367-T383 HydrophobicContact CG2-CG2 4.01Å
368	I	66	Low	70.1	Confident	15 Å²	15	69.6 Å²	69.6	8%	0.077	35%	0.352	C	S	.	.			trans	-91.7	80.7	-171.2	-54.3	-167.1	0	0	0	108.3	L362 H365 I377 L379	L362-I368 HydrophobicContact CB-CD1 3.91Å; L362-I368 HydrophobicContact CD2-CD1 3.32Å; L362-I368 HydrophobicContact CG-CD1 4.21Å; L362-I368 WeakPolarHBondContact O-CB 3.31Å; H365-I368 HydrophobicContact CB-CB 4.37Å; H365-I368 HydrophobicContact CB-CD1 3.77Å; H365-I368 HydrophobicContact CB-CG1 3.78Å; H365-I368 PolarHBondContact O-N 3.12Å; I368-I377 HydrophobicContact CG2-CG2 3.5Å; I368-I377 VanDerWaalsContact CG2-CG2 3.5Å; I368-L379 HydrophobicContact CB-CD2 4.24Å; I368-L379 HydrophobicContact CD1-CD2 3.9Å; I368-L379 HydrophobicContact CG1-CD2 3.59Å; I368-L379 HydrophobicContact CG2-CD2 4.09Å
369	N	59.2	Low	69.2	Low	135 Å²	135	71.8 Å²	71.8	72%	0.722	36%	0.364	S	S	*	.			trans	-82.4	-17.2	-174.3	-67.4	-21.6	0	0	0	113.7	V367	V367-N369 PolarHBondContact O-N 3.24Å; V367-N369 VanDerWaalsContact O-N 3.11Å
370	N	57.4	Low	68.6	Low	81 Å²	81	76.3 Å²	76.3	43%	0.433	38%	0.384	S	S	.	.			trans	-125.3	52.5	-167.4	-68.1	-18.1	0	0	0	112.5	Q372	N370-Q372 PolarHBondContact O-N 3.29Å
371	W	56.3	Low	68.2	Low	63 Å²	63	81.4 Å²	81.4	24%	0.239	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	78.5	162.7	-172.5	-82	0	0	0	108.4	M344 I359 L362 H373 G374 I377	M344-W371 HydrophobicContact CE-CH2 4.27Å; M344-W371 HydrophobicContact SD-CH2 4.48Å; I359-W371 HydrophobicContact CB-CH2 4.42Å; I359-W371 HydrophobicContact CG1-CH2 3.87Å; I359-W371 HydrophobicContact CG1-CZ2 4.15Å; I359-W371 HydrophobicContact CG2-CH2 4.41Å; I359-W371 HydrophobicContact CG2-CZ2 4.33Å; L362-W371 HydrophobicContact CB-CE3 4.19Å; L362-W371 HydrophobicContact CB-CZ3 3.78Å; L362-W371 HydrophobicContact CD1-CZ3 4.01Å; W371-H373 PolarHBondContact O-N 3Å; W371-G374 WeakPolarHBondContact CZ2-O 3.46Å; W371-I377 HydrophobicContact CD2-CD1 4.5Å; W371-I377 HydrophobicContact CD2-CG1 4.23Å; W371-I377 HydrophobicContact CE3-CD1 3.36Å; W371-I377 HydrophobicContact CE3-CG1 3.47Å; W371-I377 VanDerWaalsContact CE3-CG1 3.47Å; W371-I377 HydrophobicContact CH2-CD1 4.16Å; W371-I377 HydrophobicContact CZ3-CD1 3.16Å; W371-I377 HydrophobicContact CZ3-CG1 3.72Å
372	Q	53.2	Low	68	Low	123 Å²	123	86.4 Å²	86.4	58%	0.575	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	122.4	179.1	-70.9	-172.2	-11.2	0	0	109.2	N370 G374 H375 Q376	N370-Q372 PolarHBondContact O-N 3.29Å; Q372-G374 VanDerWaalsContact C-N 3.31Å; Q372-G374 PolarHBondContact O-N 3.2Å; Q372-G374 VanDerWaalsContact O-N 3.12Å; Q372-H375 PolarHBondContact O-N 3.31Å; Q372-Q376 PolarHBondContact N-O 2.92Å
373	H	55.1	Low	67.6	Low	176 Å²	176	88.5 Å²	88.5	82%	0.815	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	21.2	170.9	-56.6	-67.8	0	0	0	117.9	W371 H375	W371-H373 PolarHBondContact O-N 3Å; H373-H375 PolarHBondContact O-CE1 2.81Å; H373-H375 PolarHBondContact O-N 3.36Å; H373-H375 PolarHBondContact O-ND1 3.48Å
374	G	59.6	Low	67.5	Low	33 Å²	33	84 Å²	84	34%	0.34	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-15.5	176.2	0	0	0	0	0	115.8	W371 Q372	W371-G374 WeakPolarHBondContact CZ2-O 3.46Å; Q372-G374 VanDerWaalsContact C-N 3.31Å; Q372-G374 PolarHBondContact O-N 3.2Å; Q372-G374 VanDerWaalsContact O-N 3.12Å
375	H	62.5	Low	67.9	Low	164 Å²	164	85.2 Å²	85.2	76%	0.759	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	-21.8	-157.7	-61.8	93.8	0	0	0	115.2	Q372 H373	Q372-H375 PolarHBondContact O-N 3.31Å; H373-H375 PolarHBondContact O-CE1 2.81Å; H373-H375 PolarHBondContact O-N 3.36Å; H373-H375 PolarHBondContact O-ND1 3.48Å
376	Q	65.9	Low	68.1	Low	143 Å²	143	90.5 Å²	90.5	67%	0.668	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.6	-178.9	-74.4	-176.8	-20.4	0	0	110.9	Q372	Q372-Q376 PolarHBondContact N-O 2.92Å
377	I	69.4	Low	68.6	Low	47 Å²	47	88.9 Å²	88.9	24%	0.241	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.4	176.9	-47.7	172.7	0	0	0	107.6	L362 I368 W371 L379	L362-I377 HydrophobicContact CB-CD1 4.26Å; L362-I377 HydrophobicContact CD1-CD1 3.5Å; L362-I377 VanDerWaalsContact CD1-CD1 3.5Å; L362-I377 HydrophobicContact CG-CD1 4.35Å; I368-I377 HydrophobicContact CG2-CG2 3.5Å; I368-I377 VanDerWaalsContact CG2-CG2 3.5Å; W371-I377 HydrophobicContact CD2-CD1 4.5Å; W371-I377 HydrophobicContact CD2-CG1 4.23Å; W371-I377 HydrophobicContact CE3-CD1 3.36Å; W371-I377 HydrophobicContact CE3-CG1 3.47Å; W371-I377 VanDerWaalsContact CE3-CG1 3.47Å; W371-I377 HydrophobicContact CH2-CD1 4.16Å; W371-I377 HydrophobicContact CZ3-CD1 3.16Å; W371-I377 HydrophobicContact CZ3-CG1 3.72Å; I377-L379 HydrophobicContact CG2-CD1 4.32Å; I377-L379 HydrophobicContact CG2-CD2 3.6Å; I377-L379 HydrophobicContact CG2-CG 3.71Å
378	C	69	Low	69.2	Low	93 Å²	93	87.3 Å²	87.3	63%	0.628	43%	0.432	S	S	*	.			trans	-98.4	114.8	168.3	-66.5	0	0	0	0	109.2
379	L	73.8	Confident	69.9	Low	47 Å²	47	90.5 Å²	90.5	25%	0.246	45%	0.449	C	S	.	.			trans	-113.5	129.9	176.2	-58.4	177	0	0	0	110	L333 L336 I368 I377 I384	L333-L379 HydrophobicContact CD2-CD1 4.36Å; L336-L379 HydrophobicContact CD1-CD1 3.88Å; I368-L379 HydrophobicContact CB-CD2 4.24Å; I368-L379 HydrophobicContact CD1-CD2 3.9Å; I368-L379 HydrophobicContact CG1-CD2 3.59Å; I368-L379 HydrophobicContact CG2-CD2 4.09Å; I377-L379 HydrophobicContact CG2-CD1 4.32Å; I377-L379 HydrophobicContact CG2-CD2 3.6Å; I377-L379 HydrophobicContact CG2-CG 3.71Å; L379-I384 HydrophobicContact CB-CD1 3.61Å; L379-I384 HydrophobicContact CB-CG1 4.13Å; L379-I384 HydrophobicContact CD1-CD1 3.89Å; L379-I384 HydrophobicContact CD1-CG1 4.37Å; L379-I384 HydrophobicContact CG-CD1 4.38Å
380	H	75.6	Confident	70.7	Confident	143 Å²	143	89 Å²	89	66%	0.662	44%	0.438	S	S	*	.			trans	-75.9	126.8	171.4	-74.7	-78.3	0	0	0	110.1	D382 T383 I384	H380-D382 VanDerWaalsContact C-N 3.26Å; H380-D382 PolarHBondContact O-N 3.46Å; H380-T383 WeakPolarHBondContact CB-OG1 3.41Å; H380-T383 PolarHBondContact O-N 3.35Å; H380-I384 PolarHBondContact O-N 3.38Å; H380-I384 VanDerWaalsContact O-N 3.15Å
381	R	79	Confident	71.3	Confident	160 Å²	160	85.6 Å²	85.6	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-54.6	-41.8	-177.5	-168.6	173.8	-169.4	173.7	4.2	112.7	F337 T383 I384 Q385	F337-R381 HydrophobicContact CD2-CG 3.9Å; F337-R381 HydrophobicContact CE2-CG 3.37Å; F337-R381 HydrophobicContact CZ-CG 4.18Å; F337-R381 VanDerWaalsContact CZ-NE 3.31Å; R381-T383 VanDerWaalsContact C-N 3.31Å; R381-T383 PolarHBondContact O-N 3.42Å; R381-I384 PolarHBondContact O-N 3.1Å; R381-Q385 WeakPolarHBondContact O-CB 3.19Å; R381-Q385 PolarHBondContact O-N 2.95Å
382	D	81.8	Confident	71.9	Confident	110 Å²	110	86.1 Å²	86.1	59%	0.588	43%	0.427	S	S	*	.	H	α-helix	trans	-62.8	-38.9	178.9	-61.3	-27.6	0	0	0	111.9	H380 Q385 Q386	H380-D382 VanDerWaalsContact C-N 3.26Å; H380-D382 PolarHBondContact O-N 3.46Å; D382-Q385 PolarHBondContact O-N 2.85Å; D382-Q386 WeakPolarHBondContact O-CB 3.36Å; D382-Q386 VanDerWaalsContact O-CG 3.23Å; D382-Q386 WeakPolarHBondContact O-CG 3.36Å; D382-Q386 PolarHBondContact O-N 2.81Å
383	T	77.3	Confident	72.3	Confident	48 Å²	48	85 Å²	85	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-71.4	-37.8	-179.7	-34.2	0	0	0	0	111.7	V367 H380 R381 Y387	V367-T383 HydrophobicContact CB-CG2 4.27Å; V367-T383 HydrophobicContact CG1-CG2 3.24Å; V367-T383 HydrophobicContact CG2-CG2 4.01Å; H380-T383 WeakPolarHBondContact CB-OG1 3.41Å; H380-T383 PolarHBondContact O-N 3.35Å; R381-T383 VanDerWaalsContact C-N 3.31Å; R381-T383 PolarHBondContact O-N 3.42Å; T383-Y387 WeakPolarHBondContact O-CB 3.5Å; T383-Y387 PolarHBondContact O-N 3.23Å
384	I	77.2	Confident	72.3	Confident	11 Å²	11	80 Å²	80	6%	0.056	40%	0.402	C	S	.	.	H	α-helix	trans	-60.7	-50.3	171.4	-64.8	168.2	0	0	0	109.8	L333 F337 L379 H380 R381 Q386 Y387 L388	L333-I384 HydrophobicContact CB-CG2 4.14Å; F337-I384 HydrophobicContact CB-CG2 4.18Å; F337-I384 HydrophobicContact CD2-CB 4.41Å; F337-I384 HydrophobicContact CD2-CG2 4.02Å; L379-I384 HydrophobicContact CB-CD1 3.61Å; L379-I384 HydrophobicContact CB-CG1 4.13Å; L379-I384 HydrophobicContact CD1-CD1 3.89Å; L379-I384 HydrophobicContact CD1-CG1 4.37Å; L379-I384 HydrophobicContact CG-CD1 4.38Å; H380-I384 PolarHBondContact O-N 3.38Å; H380-I384 VanDerWaalsContact O-N 3.15Å; R381-I384 PolarHBondContact O-N 3.1Å; I384-Q386 PolarHBondContact O-N 2.64Å; I384-Y387 PolarHBondContact O-N 2.59Å; I384-Y387 VanDerWaalsContact O-N 3.13Å; I384-L388 HydrophobicContact CG2-CD1 3.66Å; I384-L388 HydrophobicContact CG2-CG 4.08Å; I384-L388 WeakPolarHBondContact O-CG 3.31Å; I384-L388 PolarHBondContact O-N 2.89Å
385	Q	81.1	Confident	71.8	Confident	94 Å²	94	80.6 Å²	80.6	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-41.8	-177.4	-172.1	173.9	-4.8	0	0	112.1	F337 R381 D382 Y387 L388 N389	F337-Q385 HydrophobicContact CE2-CB 4.25Å; R381-Q385 WeakPolarHBondContact O-CB 3.19Å; R381-Q385 PolarHBondContact O-N 2.95Å; D382-Q385 PolarHBondContact O-N 2.85Å; Q385-Y387 VanDerWaalsContact C-N 3.33Å; Q385-Y387 PolarHBondContact O-N 2.87Å; Q385-L388 PolarHBondContact O-N 2.93Å; Q385-N389 WeakPolarHBondContact O-CB 3.22Å; Q385-N389 PolarHBondContact O-N 3.21Å; Q385-N389 PolarHBondContact O-ND2 3.47Å
386	Q	79.8	Confident	70.8	Confident	118 Å²	118	75.5 Å²	75.5	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-60.9	-42.1	174.1	-74.5	174.9	16.5	0	0	111.8	D382 I384 N389 Q390	D382-Q386 WeakPolarHBondContact O-CB 3.36Å; D382-Q386 VanDerWaalsContact O-CG 3.23Å; D382-Q386 WeakPolarHBondContact O-CG 3.36Å; D382-Q386 PolarHBondContact O-N 2.81Å; I384-Q386 PolarHBondContact O-N 2.64Å; Q386-N389 PolarHBondContact O-N 3.1Å; Q386-Q390 WeakPolarHBondContact O-CG 3.48Å; Q386-Q390 PolarHBondContact O-N 2.86Å
387	Y	77.5	Confident	69.2	Low	16 Å²	16	73.2 Å²	73.2	6%	0.063	38%	0.375	C	S	.	.	H	α-helix	trans	-68.2	-43.8	178.8	-167.9	-104.2	0	0	0	112.5	E329 L333 H365 T383 I384 Q385 N389 Q390 L391	E329-Y387 HydrophobicContact CB-CE1 4.33Å; E329-Y387 PolarHBondContact OE2-OH 2.99Å; L333-Y387 HydrophobicContact CD1-CD1 3.49Å; L333-Y387 VanDerWaalsContact CD1-CD1 3.49Å; L333-Y387 HydrophobicContact CD1-CE1 3.93Å; L333-Y387 HydrophobicContact CD1-CG 4.49Å; H365-Y387 AromaticContact NE2-CD1 3.56Å; H365-Y387 AromaticContact NE2-CE1 3.14Å; H365-Y387 WeakPolarHBondContact NE2-CE1 3.41Å; H365-Y387 AromaticContact NE2-CE2 3.72Å; H365-Y387 AromaticContact NE2-CG 3.99Å; H365-Y387 AromaticContact NE2-CZ 3.25Å; T383-Y387 WeakPolarHBondContact O-CB 3.5Å; T383-Y387 PolarHBondContact O-N 3.23Å; I384-Y387 PolarHBondContact O-N 2.59Å; I384-Y387 VanDerWaalsContact O-N 3.13Å; Q385-Y387 VanDerWaalsContact C-N 3.33Å; Q385-Y387 PolarHBondContact O-N 2.87Å; Y387-N389 VanDerWaalsContact C-N 3.28Å; Y387-N389 PolarHBondContact O-N 3.28Å; Y387-Q390 WeakPolarHBondContact O-CA 3.22Å; Y387-Q390 WeakPolarHBondContact O-CB 3.25Å; Y387-Q390 PolarHBondContact O-N 3.47Å; Y387-L391 HydrophobicContact CD1-CD1 3.78Å; Y387-L391 HydrophobicContact CD1-CG 4.04Å; Y387-L391 HydrophobicContact CE1-CD1 3.52Å; Y387-L391 HydrophobicContact CE1-CD2 4.04Å; Y387-L391 HydrophobicContact CE1-CG 3.74Å; Y387-L391 PolarHBondContact O-N 3.04Å
388	L	77.6	Confident	67.7	Low	13 Å²	13	75.6 Å²	75.6	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-59.5	-40.5	175.1	-70.8	172.9	0	0	0	111.7	L333 N334 I384 Q385 Q390 L391 N392	L333-L388 HydrophobicContact CB-CD2 4.07Å; N334-L388 WeakPolarHBondContact OD1-CD1 3.49Å; N334-L388 WeakPolarHBondContact OD1-CD2 3.49Å; I384-L388 HydrophobicContact CG2-CD1 3.66Å; I384-L388 HydrophobicContact CG2-CG 4.08Å; I384-L388 WeakPolarHBondContact O-CG 3.31Å; I384-L388 PolarHBondContact O-N 2.89Å; Q385-L388 PolarHBondContact O-N 2.93Å; L388-Q390 VanDerWaalsContact C-N 3.33Å; L388-Q390 PolarHBondContact O-N 3.13Å; L388-L391 PolarHBondContact O-N 3.41Å; L388-N392 VanDerWaalsContact O-CG 3.29Å; L388-N392 PolarHBondContact O-N 2.97Å; L388-N392 PolarHBondContact O-ND2 3.25Å
389	N	79.6	Confident	65.9	Low	82 Å²	82	74.3 Å²	74.3	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-39.7	173.2	-71.1	-20	0	0	0	111.8	Q385 Q386 Y387 N393	Q385-N389 WeakPolarHBondContact O-CB 3.22Å; Q385-N389 PolarHBondContact O-N 3.21Å; Q385-N389 PolarHBondContact O-ND2 3.47Å; Q386-N389 PolarHBondContact O-N 3.1Å; Y387-N389 VanDerWaalsContact C-N 3.28Å; Y387-N389 PolarHBondContact O-N 3.28Å; N389-N393 WeakPolarHBondContact O-CB 3.37Å; N389-N393 PolarHBondContact O-N 3.48Å; N389-N393 PolarHBondContact O-ND2 3.32Å
390	Q	76.3	Confident	64.3	Low	105 Å²	105	75 Å²	75	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-45.6	174.6	-71.8	173.5	14.1	0	0	111.8	Q386 Y387 L388 N392 N393 E394	Q386-Q390 WeakPolarHBondContact O-CG 3.48Å; Q386-Q390 PolarHBondContact O-N 2.86Å; Y387-Q390 WeakPolarHBondContact O-CA 3.22Å; Y387-Q390 WeakPolarHBondContact O-CB 3.25Å; Y387-Q390 PolarHBondContact O-N 3.47Å; L388-Q390 VanDerWaalsContact C-N 3.33Å; L388-Q390 PolarHBondContact O-N 3.13Å; Q390-N392 PolarHBondContact O-N 2.97Å; Q390-N393 CarbonylContact O-C 3.58Å; Q390-N393 PolarHBondContact O-N 3.17Å; Q390-N393 VanDerWaalsContact O-N 3.16Å; Q390-E394 WeakPolarHBondContact O-CG 3.37Å; Q390-E394 PolarHBondContact O-N 3.17Å
391	L	70.4	Confident	62.8	Low	8 Å²	8	72.6 Å²	72.6	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-59.6	-45.1	177.7	-73.1	177	0	0	0	111.8	E329 K330 Y387 L388 N393 E394 H395	E329-L391 HydrophobicContact CB-CD1 4.48Å; K330-L391 HydrophobicContact CB-CD1 4.22Å; Y387-L391 HydrophobicContact CD1-CD1 3.78Å; Y387-L391 HydrophobicContact CD1-CG 4.04Å; Y387-L391 HydrophobicContact CE1-CD1 3.52Å; Y387-L391 HydrophobicContact CE1-CD2 4.04Å; Y387-L391 HydrophobicContact CE1-CG 3.74Å; Y387-L391 PolarHBondContact O-N 3.04Å; L388-L391 PolarHBondContact O-N 3.41Å; L391-N393 VanDerWaalsContact C-N 3.29Å; L391-N393 PolarHBondContact O-N 3.45Å; L391-E394 PolarHBondContact O-N 3.27Å; L391-H395 PolarHBondContact O-CD2 3.49Å; L391-H395 PolarHBondContact O-N 2.89Å
392	N	68.5	Low	61	Low	75 Å²	75	70.2 Å²	70.2	40%	0.401	38%	0.381	S	S	.	.	H	α-helix	trans	-63.4	-36	177.1	-69.5	-26.1	0	0	0	112.1	L388 Q390	L388-N392 VanDerWaalsContact O-CG 3.29Å; L388-N392 PolarHBondContact O-N 2.97Å; L388-N392 PolarHBondContact O-ND2 3.25Å; Q390-N392 PolarHBondContact O-N 2.97Å
393	N	61.2	Low	59	Low	99 Å²	99	65.5 Å²	65.5	53%	0.529	36%	0.356	S	S	.	.	H	α-helix	trans	-76.2	-33.5	176.6	-71.2	-28.1	0	0	0	113.1	N389 Q390 L391 H395 S396 T397	N389-N393 WeakPolarHBondContact O-CB 3.37Å; N389-N393 PolarHBondContact O-N 3.48Å; N389-N393 PolarHBondContact O-ND2 3.32Å; Q390-N393 CarbonylContact O-C 3.58Å; Q390-N393 PolarHBondContact O-N 3.17Å; Q390-N393 VanDerWaalsContact O-N 3.16Å; L391-N393 VanDerWaalsContact C-N 3.29Å; L391-N393 PolarHBondContact O-N 3.45Å; N393-H395 VanDerWaalsContact C-N 3.27Å; N393-H395 PolarHBondContact O-N 3.27Å; N393-S396 WeakPolarHBondContact O-CA 3.3Å; N393-S396 VanDerWaalsContact O-CB 3.27Å; N393-S396 WeakPolarHBondContact O-CB 3.35Å; N393-S396 PolarHBondContact O-N 2.89Å; N393-T397 PolarHBondContact O-N 3Å; N393-T397 VanDerWaalsContact O-N 3.16Å; N393-T397 PolarHBondContact O-OG1 3.5Å; N393-T397 VanDerWaalsContact O-OG1 3.13Å
394	E	55.5	Low	57.6	Low	70 Å²	70	66.1 Å²	66.1	33%	0.327	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-33.1	179.3	-80.8	-163.2	177.8	0	0	112.3	Q390 L391 S396 K398	Q390-E394 WeakPolarHBondContact O-CG 3.37Å; Q390-E394 PolarHBondContact O-N 3.17Å; L391-E394 PolarHBondContact O-N 3.27Å; E394-S396 PolarHBondContact O-N 3.24Å; E394-K398 IonicContact OE1-NZ 3.96Å; E394-K398 VanDerWaalsContact OE2-CE 3.32Å; E394-K398 WeakPolarHBondContact OE2-CE 3.19Å; E394-K398 IonicContact OE2-NZ 3.33Å; E394-K398 PolarHBondContact OE2-NZ 2.93Å
395	H	49.2	Very low	56.2	Low	47 Å²	47	74.2 Å²	74.2	22%	0.218	40%	0.397	C	S	.	.	H	α-helix	trans	-63.6	-14.3	169.4	-69.2	-64.8	0	0	0	112.9	L391 N393 H415	L391-H395 PolarHBondContact O-CD2 3.49Å; L391-H395 PolarHBondContact O-N 2.89Å; N393-H395 VanDerWaalsContact C-N 3.27Å; N393-H395 PolarHBondContact O-N 3.27Å; H395-H415 WeakPolarHBondContact O-CB 3.29Å; H395-H415 PolarHBondContact O-CD2 3.15Å; H395-H415 VanDerWaalsContact O-CG 3.23Å
396	S	40.4	Very low	54.6	Low	56 Å²	56	76.7 Å²	76.7	39%	0.392	41%	0.408	S	S	.	.	H	α-helix	trans	-105.6	-24.6	-176.1	-58.5	0	0	0	0	114.9	N393 E394	N393-S396 WeakPolarHBondContact O-CA 3.3Å; N393-S396 VanDerWaalsContact O-CB 3.27Å; N393-S396 WeakPolarHBondContact O-CB 3.35Å; N393-S396 PolarHBondContact O-N 2.89Å; E394-S396 PolarHBondContact O-N 3.24Å
397	T	33.7	Very low	52.9	Low	96 Å²	96	75.7 Å²	75.7	59%	0.589	40%	0.404	S	S	*	.	H	α-helix	trans	-134.2	10	-158.5	61	0	0	0	0	119.9	N393 A399	N393-T397 PolarHBondContact O-N 3Å; N393-T397 VanDerWaalsContact O-N 3.16Å; N393-T397 PolarHBondContact O-OG1 3.5Å; N393-T397 VanDerWaalsContact O-OG1 3.13Å; T397-A399 VanDerWaalsContact C-N 3.34Å; T397-A399 PolarHBondContact O-N 2.99Å
398	K	38	Very low	51.2	Low	96 Å²	96	79.3 Å²	79.3	42%	0.417	42%	0.417	S	S	.	.			trans	-75.8	83.2	178.1	-70.5	-176.3	-175.9	167.1	0	112.5	E394	E394-K398 IonicContact OE1-NZ 3.96Å; E394-K398 VanDerWaalsContact OE2-CE 3.32Å; E394-K398 WeakPolarHBondContact OE2-CE 3.19Å; E394-K398 IonicContact OE2-NZ 3.33Å; E394-K398 PolarHBondContact OE2-NZ 2.93Å
399	A	30.6	Very low	49.6	Very low	67 Å²	67	86.6 Å²	86.6	55%	0.554	45%	0.448	S	S	*	.			trans	-82.9	137.5	171.2	0	0	0	0	0	111.4	T397	T397-A399 VanDerWaalsContact C-N 3.34Å; T397-A399 PolarHBondContact O-N 2.99Å
400	F	39.2	Very low	47.9	Very low	61 Å²	61	87.2 Å²	87.2	27%	0.268	45%	0.452	S	S	.	.			trans	-91.2	146.5	171.7	-73	-90.2	0	0	0	111.2	R288 T402 D403 R408	R288-F400 VanDerWaalsContact NH2-CZ 3.34Å; F400-T402 PolarHBondContact O-N 2.91Å; F400-D403 PolarHBondContact O-N 3.2Å; F400-R408 PolarHBondContact O-NH2 3.14Å
401	P	45.5	Very low	46.3	Very low	93 Å²	93	87.1 Å²	87.1	60%	0.604	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.2	178.1	-23.2	33.4	0	0	0	113.3	V98 R408	V98-P401 HydrophobicContact CG1-CG 4.49Å; P401-R408 PolarHBondContact O-NH2 3.08Å
402	T	41.5	Very low	44.7	Very low	110 Å²	110	94.1 Å²	94.1	68%	0.675	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.9	-176.3	49.8	0	0	0	0	114.9	F400 S404	F400-T402 PolarHBondContact O-N 2.91Å; T402-S404 PolarHBondContact O-N 3.19Å
403	D	38.3	Very low	43.4	Very low	11 Å²	11	95.7 Å²	95.7	6%	0.059	49%	0.485	C	S	.	.			trans	-73	127.6	177.1	-79.8	-44.5	0	0	0	111.6	F400 Q407 R408 R411	F400-D403 PolarHBondContact O-N 3.2Å; D403-Q407 HydrophobicContact CB-CB 4.06Å; D403-Q407 PolarHBondContact OD1-OE1 3.43Å; D403-R408 HydrophobicContact CB-CG 3.7Å; D403-R408 PolarHBondContact O-NE 3.46Å; D403-R408 PolarHBondContact O-NH2 3.38Å; D403-R411 VanDerWaalsContact CG-NH2 3.31Å; D403-R411 IonicContact OD1-CZ 3.89Å; D403-R411 VanDerWaalsContact OD1-CZ 3.31Å; D403-R411 IonicContact OD1-NE 2.67Å; D403-R411 PolarHBondContact OD1-NE 3.49Å; D403-R411 IonicContact OD1-NH2 2.76Å; D403-R411 PolarHBondContact OD1-NH2 2.9Å; D403-R411 IonicContact OD2-CZ 3.83Å; D403-R411 IonicContact OD2-NE 3.2Å; D403-R411 PolarHBondContact OD2-NE 2.63Å; D403-R411 VanDerWaalsContact OD2-NE 3.08Å; D403-R411 IonicContact OD2-NH1 3.62Å; D403-R411 PolarHBondContact OD2-NH1 2.7Å; D403-R411 IonicContact OD2-NH2 3.44Å; D403-R411 PolarHBondContact OD2-NH2 3.29Å; D403-R411 VanDerWaalsContact OD2-NH2 3.15Å
404	S	47.8	Very low	42.3	Very low	60 Å²	60	95.2 Å²	95.2	42%	0.42	48%	0.48	S	S	.	.			trans	-57.4	154.8	167.4	61.6	0	0	0	0	111.1	T402 E406 Q407 R408	T402-S404 PolarHBondContact O-N 3.19Å; S404-E406 PolarHBondContact O-N 3.47Å; S404-Q407 PolarHBondContact O-N 2.84Å; S404-Q407 VanDerWaalsContact O-N 3.11Å; S404-Q407 VanDerWaalsContact OG-CG 3.28Å; S404-Q407 WeakPolarHBondContact OG-CG 3.23Å; S404-Q407 PolarHBondContact OG-N 2.84Å; S404-Q407 PolarHBondContact OG-OE1 3.37Å; S404-R408 PolarHBondContact O-N 2.9Å
405	K	48.7	Very low	41.7	Very low	182 Å²	182	94.1 Å²	94.1	79%	0.791	48%	0.475	S	S	*	.	H	α-helix	trans	-53.5	-32.4	-179.6	-83.4	-179.5	176.8	174.8	0	112.8	K409	K405-K409 PolarHBondContact O-N 3.36Å; K405-K409 VanDerWaalsContact O-N 3.11Å
406	E	48.3	Very low	41.3	Very low	145 Å²	145	100.2 Å²	100.2	68%	0.678	50%	0.501	S	S	*	.	H	α-helix	trans	-75.3	-44.4	179.4	-162.2	161.5	-160.2	0	0	112	S404 R408 K409 N410	S404-E406 PolarHBondContact O-N 3.47Å; E406-R408 VanDerWaalsContact C-N 3.26Å; E406-R408 PolarHBondContact O-N 3Å; E406-K409 PolarHBondContact O-N 2.83Å; E406-K409 VanDerWaalsContact O-N 3.16Å; E406-N410 PolarHBondContact O-N 2.88Å
407	Q	43.8	Very low	41.5	Very low	97 Å²	97	102.3 Å²	102.3	45%	0.453	50%	0.504	S	S	.	.	H	α-helix	trans	-58.6	-37.7	170.6	-74.1	164.4	-21.9	0	0	111.9	D403 S404 R411	D403-Q407 HydrophobicContact CB-CB 4.06Å; D403-Q407 PolarHBondContact OD1-OE1 3.43Å; S404-Q407 PolarHBondContact O-N 2.84Å; S404-Q407 VanDerWaalsContact O-N 3.11Å; S404-Q407 VanDerWaalsContact OG-CG 3.28Å; S404-Q407 WeakPolarHBondContact OG-CG 3.23Å; S404-Q407 PolarHBondContact OG-N 2.84Å; S404-Q407 PolarHBondContact OG-OE1 3.37Å; Q407-R411 WeakPolarHBondContact O-CB 3.4Å; Q407-R411 VanDerWaalsContact O-CG 3.32Å; Q407-R411 WeakPolarHBondContact O-CG 3.49Å; Q407-R411 PolarHBondContact O-N 3.48Å
408	R	42.2	Very low	42.7	Very low	93 Å²	93	100.3 Å²	100.3	35%	0.351	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-40.9	174.7	-71.2	-176.5	178.2	138.4	6.7	113.2	F400 P401 D403 S404 E406 K412	F400-R408 PolarHBondContact O-NH2 3.14Å; P401-R408 PolarHBondContact O-NH2 3.08Å; D403-R408 HydrophobicContact CB-CG 3.7Å; D403-R408 PolarHBondContact O-NE 3.46Å; D403-R408 PolarHBondContact O-NH2 3.38Å; S404-R408 PolarHBondContact O-N 2.9Å; E406-R408 VanDerWaalsContact C-N 3.26Å; E406-R408 PolarHBondContact O-N 3Å; R408-K412 WeakPolarHBondContact O-CB 3.49Å; R408-K412 WeakPolarHBondContact O-CG 3.49Å; R408-K412 PolarHBondContact O-N 2.72Å
409	K	42.2	Very low	44.2	Very low	165 Å²	165	97.2 Å²	97.2	72%	0.717	48%	0.481	S	S	*	.	H	α-helix	trans	-64.2	-48	175.2	-88.2	-173.3	175.9	-178.4	0	110.9	K405 E406 R411 K412 L413	K405-K409 PolarHBondContact O-N 3.36Å; K405-K409 VanDerWaalsContact O-N 3.11Å; E406-K409 PolarHBondContact O-N 2.83Å; E406-K409 VanDerWaalsContact O-N 3.16Å; K409-R411 PolarHBondContact O-N 3.39Å; K409-K412 PolarHBondContact O-N 3.37Å; K409-L413 WeakPolarHBondContact O-CB 3.48Å; K409-L413 PolarHBondContact O-N 3.09Å
410	N	43.7	Very low	46.6	Very low	95 Å²	95	98.7 Å²	98.7	51%	0.508	48%	0.483	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177.8	-73.8	-11.4	0	0	0	111.2	E406 L413 M414	E406-N410 PolarHBondContact O-N 2.88Å; N410-L413 PolarHBondContact O-N 3.41Å; N410-M414 VanDerWaalsContact O-CB 3.32Å; N410-M414 WeakPolarHBondContact O-CB 3.42Å; N410-M414 WeakPolarHBondContact O-CG 3.34Å; N410-M414 PolarHBondContact O-N 3.34Å
411	R	42.9	Very low	48.9	Very low	104 Å²	104	96.8 Å²	96.8	39%	0.392	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-42.2	175	-75.1	-176	-160.3	-148.3	11.8	113.5	D403 Q407 K409 L413 M414 H415	D403-R411 VanDerWaalsContact CG-NH2 3.31Å; D403-R411 IonicContact OD1-CZ 3.89Å; D403-R411 VanDerWaalsContact OD1-CZ 3.31Å; D403-R411 IonicContact OD1-NE 2.67Å; D403-R411 PolarHBondContact OD1-NE 3.49Å; D403-R411 IonicContact OD1-NH2 2.76Å; D403-R411 PolarHBondContact OD1-NH2 2.9Å; D403-R411 IonicContact OD2-CZ 3.83Å; D403-R411 IonicContact OD2-NE 3.2Å; D403-R411 PolarHBondContact OD2-NE 2.63Å; D403-R411 VanDerWaalsContact OD2-NE 3.08Å; D403-R411 IonicContact OD2-NH1 3.62Å; D403-R411 PolarHBondContact OD2-NH1 2.7Å; D403-R411 IonicContact OD2-NH2 3.44Å; D403-R411 PolarHBondContact OD2-NH2 3.29Å; D403-R411 VanDerWaalsContact OD2-NH2 3.15Å; Q407-R411 WeakPolarHBondContact O-CB 3.4Å; Q407-R411 VanDerWaalsContact O-CG 3.32Å; Q407-R411 WeakPolarHBondContact O-CG 3.49Å; Q407-R411 PolarHBondContact O-N 3.48Å; K409-R411 PolarHBondContact O-N 3.39Å; R411-L413 VanDerWaalsContact C-N 3.3Å; R411-L413 PolarHBondContact O-N 2.88Å; R411-M414 PolarHBondContact O-N 3.42Å; R411-H415 WeakPolarHBondContact O-CB 3.46Å; R411-H415 PolarHBondContact O-N 3.38Å
412	K	37.8	Very low	51	Low	154 Å²	154	94.4 Å²	94.4	67%	0.67	46%	0.458	S	S	*	.	H	α-helix	trans	-62.7	-38.9	175	-79.7	-173.9	177.4	-172.6	0	111.7	R408 K409 K416	R408-K412 WeakPolarHBondContact O-CB 3.49Å; R408-K412 WeakPolarHBondContact O-CG 3.49Å; R408-K412 PolarHBondContact O-N 2.72Å; K409-K412 PolarHBondContact O-N 3.37Å; K412-K416 WeakPolarHBondContact O-CB 3.14Å; K412-K416 PolarHBondContact O-N 3.03Å
413	L	41.2	Very low	53.2	Low	108 Å²	108	92.6 Å²	92.6	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-65.7	-47	175.3	-161	71.4	0	0	0	110.4	K409 N410 R411 H415 K416 H417	K409-L413 WeakPolarHBondContact O-CB 3.48Å; K409-L413 PolarHBondContact O-N 3.09Å; N410-L413 PolarHBondContact O-N 3.41Å; R411-L413 VanDerWaalsContact C-N 3.3Å; R411-L413 PolarHBondContact O-N 2.88Å; L413-H415 PolarHBondContact O-N 2.95Å; L413-K416 WeakPolarHBondContact O-CB 3.38Å; L413-K416 PolarHBondContact O-N 3.32Å; L413-H417 PolarHBondContact O-CD2 2.97Å
414	M	38.9	Very low	55.7	Low	89 Å²	89	98.6 Å²	98.6	44%	0.438	48%	0.475	S	S	.	.	H	α-helix	trans	-63.8	-39.1	178.4	-65.7	-86.1	-76.4	0	0	112.8	N410 R411 H417	N410-M414 VanDerWaalsContact O-CB 3.32Å; N410-M414 WeakPolarHBondContact O-CB 3.42Å; N410-M414 WeakPolarHBondContact O-CG 3.34Å; N410-M414 PolarHBondContact O-N 3.34Å; R411-M414 PolarHBondContact O-N 3.42Å; M414-H417 CarbonylContact O-C 3.58Å; M414-H417 PolarHBondContact O-N 3.39Å
415	H	41.4	Very low	57.9	Low	47 Å²	47	101.7 Å²	101.7	22%	0.218	48%	0.478	C	S	.	.	H	α-helix	trans	-77.4	-22.4	177.1	-85.8	10.3	0	0	0	113.8	H395 R411 L413 H417 S418	H395-H415 WeakPolarHBondContact O-CB 3.29Å; H395-H415 PolarHBondContact O-CD2 3.15Å; H395-H415 VanDerWaalsContact O-CG 3.23Å; R411-H415 WeakPolarHBondContact O-CB 3.46Å; R411-H415 PolarHBondContact O-N 3.38Å; L413-H415 PolarHBondContact O-N 2.95Å; H415-H417 PolarHBondContact O-N 2.98Å; H415-S418 PolarHBondContact O-N 3.23Å; H415-S418 VanDerWaalsContact O-N 3.14Å
416	K	41.1	Very low	60.1	Low	176 Å²	176	94.1 Å²	94.1	77%	0.765	45%	0.446	S	S	*	.	H	α-helix	trans	-61.1	-23.3	167.8	-159.5	178.7	179.9	-172.7	0	111.1	K412 L413	K412-K416 WeakPolarHBondContact O-CB 3.14Å; K412-K416 PolarHBondContact O-N 3.03Å; L413-K416 WeakPolarHBondContact O-CB 3.38Å; L413-K416 PolarHBondContact O-N 3.32Å
417	H	45.2	Very low	62.2	Low	99 Å²	99	94.9 Å²	94.9	46%	0.458	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	53.5	170	-59.9	-76.9	0	0	0	111.3	L413 M414 H415 F419	L413-H417 PolarHBondContact O-CD2 2.97Å; M414-H417 CarbonylContact O-C 3.58Å; M414-H417 PolarHBondContact O-N 3.39Å; H415-H417 PolarHBondContact O-N 2.98Å; H417-F419 PolarHBondContact O-N 2.96Å
418	S	57.5	Low	64.6	Low	55 Å²	55	91.1 Å²	91.1	39%	0.385	43%	0.428	S	S	.	.			trans	-53.1	107.3	163.9	163.2	0	0	0	0	107.8	H415 V420	H415-S418 PolarHBondContact O-N 3.23Å; H415-S418 VanDerWaalsContact O-N 3.14Å; S418-V420 VanDerWaalsContact C-N 3.28Å; S418-V420 PolarHBondContact O-N 3.28Å
419	F	70.2	Confident	66.8	Low	30 Å²	30	92.5 Å²	92.5	13%	0.132	44%	0.443	C	S	.	.			trans	-67.2	86.7	179.8	-59	-72.6	0	0	0	109.7	L209 Y291 F294 H417	L209-F419 HydrophobicContact CD1-CB 3.73Å; L209-F419 HydrophobicContact CD1-CD1 3.38Å; L209-F419 HydrophobicContact CD1-CE1 4.08Å; L209-F419 HydrophobicContact CD1-CG 3.64Å; L209-F419 HydrophobicContact CG-CD1 4Å; L209-F419 HydrophobicContact CG-CE1 4.23Å; Y291-F419 HydrophobicContact CD1-CD2 4.17Å; Y291-F419 AromaticContact CE1-CD2 3.46Å; Y291-F419 HydrophobicContact CE1-CD2 3.46Å; Y291-F419 VanDerWaalsContact CE1-CD2 3.46Å; Y291-F419 AromaticContact CE1-CE2 3.63Å; Y291-F419 HydrophobicContact CE1-CE2 3.63Å; Y291-F419 HydrophobicContact CE1-CG 4.03Å; Y291-F419 HydrophobicContact CE1-CZ 4.31Å; Y291-F419 AromaticContact CZ-CD2 3.99Å; Y291-F419 AromaticContact CZ-CE2 3.68Å; Y291-F419 VanDerWaalsContact OH-CE2 3.28Å; Y291-F419 WeakPolarHBondContact OH-CE2 3.47Å; F294-F419 HydrophobicContact CD2-CB 4.48Å; H417-F419 PolarHBondContact O-N 2.96Å
420	V	80.8	Confident	68.8	Low	99 Å²	99	87.5 Å²	87.5	60%	0.6	43%	0.427	S	S	*	.			trans	-86.9	130.8	174.4	-178.5	0	0	0	0	107.9	S418 D422	S418-V420 VanDerWaalsContact C-N 3.28Å; S418-V420 PolarHBondContact O-N 3.28Å; V420-D422 PolarHBondContact O-N 2.79Å; V420-D422 VanDerWaalsContact O-N 3.17Å
421	L	87.2	Confident	70.5	Confident	21 Å²	21	87 Å²	87	11%	0.11	43%	0.43	C	S	.	.			trans	-63.3	114.6	175.7	180	72.4	0	0	0	110.3	Y204 F294 L298 E301 I423	Y204-L421 HydrophobicContact CD2-CD1 3.8Å; Y204-L421 HydrophobicContact CE2-CD1 3.47Å; Y204-L421 VanDerWaalsContact CE2-CD1 3.47Å; Y204-L421 HydrophobicContact CE2-CG 4.49Å; F294-L421 HydrophobicContact CD2-CB 4.16Å; F294-L421 HydrophobicContact CD2-CD1 4.47Å; F294-L421 HydrophobicContact CE1-CD1 4.14Å; F294-L421 HydrophobicContact CE2-CB 4Å; F294-L421 HydrophobicContact CE2-CD1 3.65Å; F294-L421 HydrophobicContact CE2-CG 4.46Å; F294-L421 HydrophobicContact CZ-CD1 3.45Å; F294-L421 VanDerWaalsContact CZ-CD1 3.45Å; L298-L421 HydrophobicContact CB-CD2 4.1Å; L298-L421 HydrophobicContact CD1-CD1 4.37Å; L298-L421 HydrophobicContact CD1-CD2 4.24Å; E301-L421 HydrophobicContact CB-CD2 4.17Å; E301-L421 HydrophobicContact CG-CD2 3.62Å; L421-I423 PolarHBondContact O-N 3.44Å
422	D	89.5	Confident	71.8	Confident	43 Å²	43	89 Å²	89	23%	0.23	45%	0.452	C	S	.	.			trans	-83.9	102.6	168	-178.4	1.9	0	0	0	110.3	Y204 V420 N424 R425	Y204-D422 WeakPolarHBondContact CE2-O 3.33Å; Y204-D422 PolarHBondContact OH-N 3.44Å; V420-D422 PolarHBondContact O-N 2.79Å; V420-D422 VanDerWaalsContact O-N 3.17Å; D422-N424 PolarHBondContact O-N 3.31Å; D422-N424 VanDerWaalsContact O-N 3.09Å; D422-N424 WeakPolarHBondContact OD1-CB 3.22Å; D422-N424 PolarHBondContact OD1-N 3.15Å; D422-N424 PolarHBondContact OD1-ND2 3.11Å; D422-R425 HydrophobicContact CB-CG 3.9Å; D422-R425 WeakPolarHBondContact O-CB 3.28Å; D422-R425 PolarHBondContact O-N 3.47Å; D422-R425 WeakPolarHBondContact OD2-CG 3.38Å; D422-R425 IonicContact OD2-NE 2.71Å
423	I	89.2	Confident	72.8	Confident	71 Å²	71	89.1 Å²	89.1	36%	0.364	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-56	-28.2	-179.5	-170	58.4	0	0	0	113.2	E301 L421 R425 L426	E301-I423 HydrophobicContact CB-CD1 3.93Å; E301-I423 HydrophobicContact CG-CD1 4.03Å; L421-I423 PolarHBondContact O-N 3.44Å; I423-R425 PolarHBondContact O-N 2.95Å; I423-L426 HydrophobicContact CD1-CB 4.2Å; I423-L426 HydrophobicContact CD1-CD2 3.73Å; I423-L426 WeakPolarHBondContact O-CB 3.49Å; I423-L426 PolarHBondContact O-N 3.18Å; I423-L426 VanDerWaalsContact O-N 3.12Å
424	N	91.1	Very high	72.8	Confident	137 Å²	137	88.7 Å²	88.7	73%	0.733	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-71.3	-11.6	179.8	-54.1	-67.2	0	0	0	112.9	D422	D422-N424 PolarHBondContact O-N 3.31Å; D422-N424 VanDerWaalsContact O-N 3.09Å; D422-N424 WeakPolarHBondContact OD1-CB 3.22Å; D422-N424 PolarHBondContact OD1-N 3.15Å; D422-N424 PolarHBondContact OD1-ND2 3.11Å
425	R	92.7	Very high	72.8	Confident	126 Å²	126	90.3 Å²	90.3	48%	0.475	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-97.6	-7.2	176.3	-54.5	-63.7	178.8	174.2	1.5	112.6	Y204 H206 D422 I423 K427	Y204-R425 HydrophobicContact CD2-CB 4.06Å; Y204-R425 HydrophobicContact CE2-CB 3.66Å; H206-R425 HydrophobicContact CB-CB 4.26Å; H206-R425 HydrophobicContact CB-CG 4.03Å; D422-R425 HydrophobicContact CB-CG 3.9Å; D422-R425 WeakPolarHBondContact O-CB 3.28Å; D422-R425 PolarHBondContact O-N 3.47Å; D422-R425 WeakPolarHBondContact OD2-CG 3.38Å; D422-R425 IonicContact OD2-NE 2.71Å; I423-R425 PolarHBondContact O-N 2.95Å; R425-K427 PolarHBondContact O-N 2.82Å
426	L	94.9	Very high	72.7	Confident	23 Å²	23	96.3 Å²	96.3	12%	0.12	50%	0.504	C	S	.	.	B	Isolated β-bridge	trans	-78.3	116.5	175	-174.3	65.2	0	0	0	109.7	I203 Y204 L298 L302 I305 I423 W428	I203-L426 HydrophobicContact CD1-CD1 4.11Å; I203-L426 HydrophobicContact CG1-CD1 4.38Å; Y204-L426 HydrophobicContact CD2-CB 4.46Å; L298-L426 HydrophobicContact CD1-CD1 3.8Å; L298-L426 HydrophobicContact CD1-CD2 4.18Å; L302-L426 HydrophobicContact CD2-CD2 4.16Å; I305-L426 HydrophobicContact CD1-CD2 3.8Å; I423-L426 HydrophobicContact CD1-CB 4.2Å; I423-L426 HydrophobicContact CD1-CD2 3.73Å; I423-L426 WeakPolarHBondContact O-CB 3.49Å; I423-L426 PolarHBondContact O-N 3.18Å; I423-L426 VanDerWaalsContact O-N 3.12Å; L426-W428 HydrophobicContact CD1-CB 3.98Å; L426-W428 HydrophobicContact CD2-CB 4.4Å; L426-W428 HydrophobicContact CG-CB 3.9Å
427	K	93.8	Very high	72.3	Confident	160 Å²	160	94.9 Å²	94.9	70%	0.696	51%	0.505	S	S	*	.			trans	-108.4	77.7	175.5	-63.6	178.9	-175.2	172.9	0	108.6	I203 R425	I203-K427 PolarHBondContact O-N 2.96Å; R425-K427 PolarHBondContact O-N 2.82Å
428	W	93.8	Very high	71.7	Confident	18 Å²	18	97.2 Å²	97.2	7%	0.068	52%	0.521	C	S	.	.			trans	-138	136.2	-174.3	-172.3	86.8	0	0	0	110.8	E213 L302 I305 E306 L426 P430	E213-W428 PolarHBondContact OE2-NE1 3.45Å; L302-W428 HydrophobicContact CD2-CB 4.31Å; L302-W428 HydrophobicContact CD2-CD2 3.41Å; L302-W428 VanDerWaalsContact CD2-CD2 3.41Å; L302-W428 HydrophobicContact CD2-CE3 3.63Å; L302-W428 HydrophobicContact CD2-CG 3.72Å; L302-W428 HydrophobicContact CD2-CH2 4.31Å; L302-W428 HydrophobicContact CD2-CZ2 4.18Å; L302-W428 HydrophobicContact CD2-CZ3 4.08Å; I305-W428 HydrophobicContact CB-CE3 4.24Å; I305-W428 HydrophobicContact CB-CZ3 3.92Å; I305-W428 HydrophobicContact CD1-CE3 4Å; I305-W428 HydrophobicContact CD1-CZ3 4.5Å; I305-W428 HydrophobicContact CG2-CE3 3.89Å; I305-W428 HydrophobicContact CG2-CZ3 3.66Å; E306-W428 HydrophobicContact CG-CH2 3.65Å; E306-W428 HydrophobicContact CG-CZ3 4.06Å; E306-W428 WeakPolarHBondContact OE1-CH2 3.2Å; L426-W428 HydrophobicContact CD1-CB 3.98Å; L426-W428 HydrophobicContact CD2-CB 4.4Å; L426-W428 HydrophobicContact CG-CB 3.9Å; W428-P430 VanDerWaalsContact CH2-CA 3.46Å; W428-P430 HydrophobicContact CH2-CB 4Å; W428-P430 HydrophobicContact CZ3-CB 3.88Å
429	D	87.6	Confident	70.6	Confident	122 Å²	122	102.9 Å²	102.9	65%	0.652	54%	0.539	S	S	*	.			trans	-117.4	138.8	177.4	-61	-64.4	0	0	0	108.3
430	P	84.7	Confident	69.1	Low	60 Å²	60	109.4 Å²	109.4	39%	0.39	57%	0.569	S	S	.	*			trans	-64.4	145.5	179.5	27.1	-32.9	0	0	0	111.1	I305 E306 W428 V432	I305-P430 HydrophobicContact CG2-CB 4.48Å; I305-P430 HydrophobicContact CG2-CG 4.21Å; E306-P430 HydrophobicContact CG-CB 4.08Å; W428-P430 VanDerWaalsContact CH2-CA 3.46Å; W428-P430 HydrophobicContact CH2-CB 4Å; W428-P430 HydrophobicContact CZ3-CB 3.88Å; P430-V432 PolarHBondContact O-N 3.16Å
431	P	78.7	Confident	67.2	Low	86 Å²	86	110.8 Å²	110.8	56%	0.558	58%	0.578	S	S	*	*			trans	-57.8	137.5	175.8	22.5	-31.2	0	0	0	110	K433	P431-K433 PolarHBondContact O-N 3.26Å
432	V	70.7	Confident	64.8	Low	144 Å²	144	118.4 Å²	118.4	87%	0.873	61%	0.61	S	S	*	*			trans	-60	111.6	179.1	-177.7	0	0	0	0	108.1	P430 S434	P430-V432 PolarHBondContact O-N 3.16Å; V432-S434 PolarHBondContact O-N 3.31Å
433	K	59.7	Low	62.4	Low	158 Å²	158	122 Å²	122	69%	0.687	64%	0.637	S	S	*	*			trans	-60.3	112.6	172.3	-66.4	-176.6	-177.8	178.3	0	106.9	P431	P431-K433 PolarHBondContact O-N 3.26Å
434	S	40.6	Very low	60.4	Low	98 Å²	98	129.7 Å²	129.7	69%	0.685	68%	0.679	S	S	*	*			trans	-57.4	133.4	167.1	32.2	0	0	0	0	107.4	V432 Q436	V432-S434 PolarHBondContact O-N 3.31Å; S434-Q436 PolarHBondContact O-N 3.11Å
435	P	37.6	Very low	58.8	Low	123 Å²	123	129.3 Å²	129.3	80%	0.799	68%	0.676	S	S	*	*			trans	-56.6	112.2	-178.3	19.9	-29.4	0	0	0	107.9	N437	P435-N437 PolarHBondContact O-N 3.49Å
436	Q	39.9	Very low	57.1	Low	174 Å²	174	129.5 Å²	129.5	81%	0.813	69%	0.687	S	S	*	*			trans	-55.2	118.7	172.2	-76.5	178.3	-20.1	0	0	106.1	S434 N438	S434-Q436 PolarHBondContact O-N 3.11Å; Q436-N438 VanDerWaalsContact C-N 3.26Å; Q436-N438 PolarHBondContact O-N 3.49Å
437	N	32.7	Very low	55	Low	145 Å²	145	135.4 Å²	135.4	78%	0.775	72%	0.718	S	S	*	*			trans	-56.6	97.1	171.3	-95.1	-29.1	0	0	0	107	P435 K439	P435-N437 PolarHBondContact O-N 3.49Å; N437-K439 PolarHBondContact O-N 3.3Å
438	N	32.8	Very low	52.7	Low	148 Å²	148	133.9 Å²	133.9	79%	0.791	72%	0.72	S	S	*	*			trans	-62.3	76.3	161.1	-79.3	-14.6	0	0	0	106.9	Q436 E440	Q436-N438 VanDerWaalsContact C-N 3.26Å; Q436-N438 PolarHBondContact O-N 3.49Å; N438-E440 PolarHBondContact O-N 2.97Å
439	K	35.7	Very low	50.1	Low	174 Å²	174	141.2 Å²	141.2	76%	0.757	76%	0.76	S	S	*	*			trans	-72.5	87.6	156.7	-76.3	-171.3	177.3	-177.8	0	104.8	N437 V441	N437-K439 PolarHBondContact O-N 3.3Å; K439-V441 VanDerWaalsContact C-N 3.32Å; K439-V441 PolarHBondContact O-N 3.12Å
440	E	37.3	Very low	47.6	Very low	167 Å²	167	142.5 Å²	142.5	78%	0.78	77%	0.767	S	S	*	*			trans	-47.9	104.9	159.5	-73.7	-179.5	162.2	0	0	107.1	N438 K442	N438-E440 PolarHBondContact O-N 2.97Å; E440-K442 PolarHBondContact O-N 3.47Å
441	V	40.6	Very low	45	Very low	128 Å²	128	148.4 Å²	148.4	78%	0.776	79%	0.794	S	S	*	*			trans	-66.2	95.3	165.9	177.9	0	0	0	0	104.8	K439 C443	K439-V441 VanDerWaalsContact C-N 3.32Å; K439-V441 PolarHBondContact O-N 3.12Å; V441-C443 VanDerWaalsContact C-N 3.32Å; V441-C443 PolarHBondContact O-N 2.74Å
442	K	36.7	Very low	42.4	Very low	182 Å²	182	153.2 Å²	153.2	79%	0.791	81%	0.813	S	S	*	*			trans	-62.9	99.9	165.9	-77.8	-174.7	175.2	-178.5	0	107.1	E440 N444	E440-K442 PolarHBondContact O-N 3.47Å; K442-N444 PolarHBondContact O-N 3.43Å
443	C	39.7	Very low	40	Very low	117 Å²	117	153.9 Å²	153.9	79%	0.791	81%	0.808	S	S	*	*			trans	-60.2	120.5	160.7	-67.6	0	0	0	0	107.5	V441	V441-C443 VanDerWaalsContact C-N 3.32Å; V441-C443 PolarHBondContact O-N 2.74Å
444	N	46.9	Very low	38.2	Very low	233 Å²	233	153.5 Å²	153.5	100%	1.246	82%	0.819	S	S	*	*			trans	-69.7	0	166.5	-79.7	-23.6	0	0	0	110.5	K442	K442-N444 PolarHBondContact O-N 3.43Å

Retrieved 444 of 444 residues in 1005 ms (Link to these results)

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