A0A076N230_HUMAN Loading...

DNA-directed RNA polymerase

AlphaFold DB , UniProt , Accession A0A076N230, Species HUMAN (Homo sapiens, Human), Gene INMAP, Length 343 aa.

Structure Viewer

Loading PAE data...

(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	64.6	Low	81.8	Confident	156 Å²	156	101.8 Å²	101.8	77%	0.768	56%	0.562	S	S	*	*				0	-6.5	0	-63.5	-161	-145.9	0	0	113	G23 N39	M1-G23 WeakPolarHBondContact O-CA 3.36Å; M1-N39 PolarHBondContact O-ND2 2.94Å
2	G	72.5	Confident	82.3	Confident	26 Å²	26	98.2 Å²	98.2	27%	0.268	55%	0.546	S	S	.	.			trans	-62.6	178.8	170.6	0	0	0	0	0	114	M4 A21	G2-M4 PolarHBondContact O-N 3.34Å; G2-A21 VanDerWaalsContact CA-O 3.27Å; G2-A21 WeakPolarHBondContact CA-O 3.33Å
3	P	83.5	Confident	83	Confident	34 Å²	34	95.8 Å²	95.8	22%	0.221	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-60.1	131	-174.1	24.3	-34.2	0	0	0	111.2	L5 P12 H16 L19 D20	P3-L5 PolarHBondContact O-N 2.96Å; P3-P12 HydrophobicContact CB-CB 4.16Å; P3-P12 HydrophobicContact CB-CG 4.48Å; P3-H16 HydrophobicContact CB-CB 3.85Å; P3-L19 HydrophobicContact CB-CB 4.43Å; P3-D20 WeakPolarHBondContact CD-O 3.03Å
4	M	84.6	Confident	83.5	Confident	107 Å²	107	96.6 Å²	96.6	53%	0.527	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-62.7	127.1	167.3	-67.6	178.6	70.8	0	0	109.6	G2 I13 H16	G2-M4 PolarHBondContact O-N 3.34Å; M4-I13 HydrophobicContact CB-CD1 3.69Å; M4-I13 HydrophobicContact CB-CG1 4.4Å; M4-I13 HydrophobicContact CE-CD1 4.39Å; M4-I13 WeakPolarHBondContact O-CG1 3.44Å; M4-I13 PolarHBondContact O-N 3.46Å; M4-H16 WeakPolarHBondContact CB-ND1 3.49Å; M4-H16 PolarHBondContact N-ND1 2.98Å; M4-H16 VanDerWaalsContact N-ND1 3.15Å
5	L	86.4	Confident	84	Confident	102 Å²	102	100.2 Å²	100.2	53%	0.534	53%	0.525	S	S	.	.	B	Isolated β-bridge	trans	-93.4	142.7	176	-56.6	177.2	0	0	0	109.8	P3 K11 P12	P3-L5 PolarHBondContact O-N 2.96Å; L5-K11 CarbonylContact C-O 3.57Å; L5-K11 WeakPolarHBondContact CA-O 3.39Å; L5-P12 HydrophobicContact CD2-CB 4.46Å; L5-P12 HydrophobicContact CD2-CG 4.02Å
6	D	86	Confident	84.5	Confident	66 Å²	66	95 Å²	95	35%	0.353	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-67.5	136	169.6	172.7	31.9	0	0	0	110.4	A8 T9 R10 K11	D6-A8 VanDerWaalsContact C-N 3.27Å; D6-A8 PolarHBondContact O-N 3.03Å; D6-A8 PolarHBondContact OD1-N 2.69Å; D6-T9 WeakPolarHBondContact CB-OG1 3.4Å; D6-T9 PolarHBondContact OD2-N 3.48Å; D6-T9 PolarHBondContact OD2-OG1 2.99Å; D6-R10 VanDerWaalsContact O-CA 3.3Å; D6-R10 WeakPolarHBondContact O-CA 3.39Å; D6-R10 PolarHBondContact O-N 2.8Å; D6-K11 PolarHBondContact N-O 2.68Å
7	A	83.5	Confident	84.8	Confident	103 Å²	103	96.5 Å²	96.5	85%	0.851	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-30	-174.8	0	0	0	0	0	112.6
8	A	84.8	Confident	85.2	Confident	88 Å²	88	91.6 Å²	91.6	73%	0.727	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-46	-178.7	0	0	0	0	0	112.6	D6	D6-A8 VanDerWaalsContact C-N 3.27Å; D6-A8 PolarHBondContact O-N 3.03Å; D6-A8 PolarHBondContact OD1-N 2.69Å
9	T	84.6	Confident	85.5	Confident	82 Å²	82	87.4 Å²	87.4	50%	0.503	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-12	-170.7	59.2	0	0	0	0	114.3	D6 K11	D6-T9 WeakPolarHBondContact CB-OG1 3.4Å; D6-T9 PolarHBondContact OD2-N 3.48Å; D6-T9 PolarHBondContact OD2-OG1 2.99Å; T9-K11 PolarHBondContact O-N 2.94Å
10	R	83.4	Confident	85.8	Confident	211 Å²	211	87.3 Å²	87.3	80%	0.796	45%	0.454	S	S	*	.			trans	54.5	15.9	-171.4	-59.8	-177.5	178.7	175.9	-0.5	114.1	D6	D6-R10 VanDerWaalsContact O-CA 3.3Å; D6-R10 WeakPolarHBondContact O-CA 3.39Å; D6-R10 PolarHBondContact O-N 2.8Å
11	K	86.1	Confident	86	Confident	145 Å²	145	87 Å²	87	63%	0.63	46%	0.464	S	S	*	.	S	Bend	trans	-93.1	153.9	174.1	-68.3	-174.5	179.4	-175.6	0	110.2	L5 D6 T9 I13	L5-K11 CarbonylContact C-O 3.57Å; L5-K11 WeakPolarHBondContact CA-O 3.39Å; D6-K11 PolarHBondContact N-O 2.68Å; T9-K11 PolarHBondContact O-N 2.94Å; K11-I13 PolarHBondContact O-N 3.06Å
12	P	87.6	Confident	87.2	Confident	58 Å²	58	83.6 Å²	83.6	38%	0.377	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-53.4	138.7	171.8	-25.1	34.6	0	0	0	111.1	P3 L5	P3-P12 HydrophobicContact CB-CB 4.16Å; P3-P12 HydrophobicContact CB-CG 4.48Å; L5-P12 HydrophobicContact CD2-CB 4.46Å; L5-P12 HydrophobicContact CD2-CG 4.02Å
13	I	91.1	Very high	88	Confident	67 Å²	67	82.4 Å²	82.4	34%	0.344	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.4	168.9	-60.1	171.1	0	0	0	107.8	M4 K11 R15 H16 E17	M4-I13 HydrophobicContact CB-CD1 3.69Å; M4-I13 HydrophobicContact CB-CG1 4.4Å; M4-I13 HydrophobicContact CE-CD1 4.39Å; M4-I13 WeakPolarHBondContact O-CG1 3.44Å; M4-I13 PolarHBondContact O-N 3.46Å; K11-I13 PolarHBondContact O-N 3.06Å; I13-R15 PolarHBondContact O-N 3.41Å; I13-H16 CarbonylContact O-C 3.47Å; I13-H16 WeakPolarHBondContact O-CA 3.41Å; I13-H16 PolarHBondContact O-N 2.91Å; I13-E17 PolarHBondContact O-N 2.98Å; I13-E17 VanDerWaalsContact O-N 3.08Å
14	W	90.8	Very high	88.5	Confident	108 Å²	108	81.7 Å²	81.7	41%	0.409	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-46.7	-35.6	179.6	172.7	77.9	0	0	0	114.6	H16 E17 E32 N33 K34 Q35	W14-H16 VanDerWaalsContact C-N 3.25Å; W14-H16 PolarHBondContact O-N 3.17Å; W14-E17 WeakPolarHBondContact O-CB 3.42Å; W14-E17 PolarHBondContact O-N 3.39Å; W14-E32 HydrophobicContact CZ2-CB 4.38Å; W14-N33 WeakPolarHBondContact CH2-O 3.11Å; W14-K34 HydrophobicContact CH2-CB 4.32Å; W14-K34 HydrophobicContact CZ3-CB 4.44Å; W14-Q35 HydrophobicContact CD2-CG 4.48Å; W14-Q35 HydrophobicContact CH2-CG 4.22Å; W14-Q35 HydrophobicContact CZ2-CG 3.98Å; W14-Q35 PolarHBondContact O-NE2 3.11Å
15	R	90.3	Very high	88.9	Confident	150 Å²	150	76.8 Å²	76.8	57%	0.566	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-64.7	-28.1	176.7	-70.7	-170.8	-179.2	-173.8	2.5	114	I13 V36	I13-R15 PolarHBondContact O-N 3.41Å; R15-V36 HydrophobicContact CB-CG2 4.41Å; R15-V36 WeakPolarHBondContact O-CB 3.49Å; R15-V36 PolarHBondContact O-N 3.43Å
16	H	91.8	Very high	89.1	Confident	17 Å²	17	73.5 Å²	73.5	8%	0.079	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-111.3	8.3	-175.2	-66.7	171.6	0	0	0	112.3	P3 M4 I13 W14 I18 L19	P3-H16 HydrophobicContact CB-CB 3.85Å; M4-H16 WeakPolarHBondContact CB-ND1 3.49Å; M4-H16 PolarHBondContact N-ND1 2.98Å; M4-H16 VanDerWaalsContact N-ND1 3.15Å; I13-H16 CarbonylContact O-C 3.47Å; I13-H16 WeakPolarHBondContact O-CA 3.41Å; I13-H16 PolarHBondContact O-N 2.91Å; W14-H16 VanDerWaalsContact C-N 3.25Å; W14-H16 PolarHBondContact O-N 3.17Å; H16-I18 VanDerWaalsContact C-N 3.25Å; H16-I18 PolarHBondContact O-N 3.3Å; H16-L19 HydrophobicContact CB-CD1 3.85Å; H16-L19 HydrophobicContact CB-CG 4.43Å; H16-L19 WeakPolarHBondContact O-CB 3.39Å; H16-L19 PolarHBondContact O-N 2.83Å; H16-L19 VanDerWaalsContact O-N 3.13Å
17	E	90.2	Very high	89.5	Confident	121 Å²	121	74.2 Å²	74.2	57%	0.565	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.8	-177	-174.9	171.1	-171.2	0	0	112.6	I13 W14 L19	I13-E17 PolarHBondContact O-N 2.98Å; I13-E17 VanDerWaalsContact O-N 3.08Å; W14-E17 WeakPolarHBondContact O-CB 3.42Å; W14-E17 PolarHBondContact O-N 3.39Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 3.44Å
18	I	91	Very high	89.9	Confident	8 Å²	8	72 Å²	72	4%	0.041	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.8	-179.6	63.7	171.8	0	0	0	114.1	H16 C25 S26 K30 V31 Q35 V36 L37	H16-I18 VanDerWaalsContact C-N 3.25Å; H16-I18 PolarHBondContact O-N 3.3Å; I18-C25 HydrophobicContact CB-CB 4.42Å; I18-C25 HydrophobicContact CD1-CB 4.16Å; I18-C25 HydrophobicContact CG1-CB 4.17Å; I18-C25 WeakPolarHBondContact O-CA 3.46Å; I18-C25 VanDerWaalsContact O-CB 3.29Å; I18-C25 WeakPolarHBondContact O-CB 3.37Å; I18-S26 PolarHBondContact O-N 2.93Å; I18-K30 WeakPolarHBondContact CG2-O 3.42Å; I18-V31 HydrophobicContact CD1-CB 3.92Å; I18-V31 HydrophobicContact CD1-CG2 3.59Å; I18-Q35 HydrophobicContact CD1-CB 3.94Å; I18-Q35 HydrophobicContact CG1-CB 4.46Å; I18-V36 WeakPolarHBondContact CD1-O 3.39Å; I18-V36 WeakPolarHBondContact CG1-O 3.5Å; I18-L37 HydrophobicContact CD1-CD2 4.28Å
19	L	92.5	Very high	90.3	Very high	12 Å²	12	72.4 Å²	72.4	6%	0.063	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-85.1	136.5	-175.4	-64.6	179.5	0	0	0	110.9	P3 H16 E17 C25 V36 N39	P3-L19 HydrophobicContact CB-CB 4.43Å; H16-L19 HydrophobicContact CB-CD1 3.85Å; H16-L19 HydrophobicContact CB-CG 4.43Å; H16-L19 WeakPolarHBondContact O-CB 3.39Å; H16-L19 PolarHBondContact O-N 2.83Å; H16-L19 VanDerWaalsContact O-N 3.13Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 3.44Å; L19-C25 HydrophobicContact CD2-CB 4.37Å; L19-V36 HydrophobicContact CD1-CB 4.32Å; L19-V36 HydrophobicContact CD1-CG1 4.14Å; L19-V36 HydrophobicContact CD2-CG1 4.4Å; L19-V36 VanDerWaalsContact CD2-O 3.25Å; L19-V36 WeakPolarHBondContact CD2-O 3.39Å; L19-N39 HydrophobicContact CD1-CB 3.8Å
20	D	91	Very high	90.8	Very high	84 Å²	84	72 Å²	72	45%	0.449	37%	0.366	S	S	.	.			trans	-81.3	175.6	168.9	-162	5.8	0	0	0	110.9	P3 D22 G23 I24	P3-D20 WeakPolarHBondContact CD-O 3.03Å; D20-D22 PolarHBondContact O-N 3.22Å; D20-D22 VanDerWaalsContact O-N 3.13Å; D20-G23 PolarHBondContact O-N 3.43Å; D20-I24 WeakPolarHBondContact CB-O 3.5Å; D20-I24 PolarHBondContact N-O 3.42Å
21	A	89.3	Confident	91.3	Very high	81 Å²	81	62 Å²	62	67%	0.669	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.9	-177.6	0	0	0	0	0	113.7	G2 G23	G2-A21 VanDerWaalsContact CA-O 3.27Å; G2-A21 WeakPolarHBondContact CA-O 3.33Å; A21-G23 VanDerWaalsContact C-N 3.29Å
22	D	90	Very high	91.7	Very high	86 Å²	86	58.1 Å²	58.1	46%	0.46	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.4	176.4	67.4	-6.6	0	0	0	113.5	D20 I24	D20-D22 PolarHBondContact O-N 3.22Å; D20-D22 VanDerWaalsContact O-N 3.13Å; D22-I24 PolarHBondContact OD1-N 3.16Å
23	G	90.3	Very high	91.9	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.01	31%	0.313	C	S	.	.	S	Bend	trans	84.5	13.3	-176.6	0	0	0	0	0	114.1	M1 D20 A21 N39	M1-G23 WeakPolarHBondContact O-CA 3.36Å; D20-G23 PolarHBondContact O-N 3.43Å; A21-G23 VanDerWaalsContact C-N 3.29Å; G23-N39 PolarHBondContact O-N 3.12Å
24	I	92.9	Very high	91.9	Very high	18 Å²	18	62 Å²	62	9%	0.092	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-110.8	146.3	172.7	-52.7	173	0	0	0	107.8	D20 D22 V79 I81 I91	D20-I24 WeakPolarHBondContact CB-O 3.5Å; D20-I24 PolarHBondContact N-O 3.42Å; D22-I24 PolarHBondContact OD1-N 3.16Å; I24-V79 HydrophobicContact CG2-CG1 3.75Å; I24-I81 HydrophobicContact CD1-CD1 3.66Å; I24-I81 HydrophobicContact CD1-CG1 4.3Å; I24-I91 HydrophobicContact CD1-CD1 3.69Å; I24-I91 HydrophobicContact CD1-CG1 4.3Å; I24-I91 HydrophobicContact CG1-CD1 4.18Å; I24-I91 HydrophobicContact CG2-CG2 4.38Å
25	C	92.7	Very high	92	Very high	4 Å²	4	57 Å²	57	3%	0.027	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-73.7	150.5	179	71.2	0	0	0	0	113.2	I18 L19 L37 I76 V79 M93	I18-C25 HydrophobicContact CB-CB 4.42Å; I18-C25 HydrophobicContact CD1-CB 4.16Å; I18-C25 HydrophobicContact CG1-CB 4.17Å; I18-C25 WeakPolarHBondContact O-CA 3.46Å; I18-C25 VanDerWaalsContact O-CB 3.29Å; I18-C25 WeakPolarHBondContact O-CB 3.37Å; L19-C25 HydrophobicContact CD2-CB 4.37Å; C25-L37 PolarHBondContact N-O 3.39Å; C25-L37 VanDerWaalsContact N-O 3.15Å; C25-I76 HydrophobicContact CB-CD1 3.59Å; C25-I76 WeakPolarHBondContact SG-CD1 3.41Å; C25-I76 VanDerWaalsContact SG-CG1 3.53Å; C25-V79 WeakPolarHBondContact O-CG2 3.18Å; C25-M93 WeakPolarHBondContact SG-CE 3.44Å
26	S	91.3	Very high	92.1	Very high	34 Å²	34	50.1 Å²	50.1	24%	0.238	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-81	141.6	179.9	-73.6	0	0	0	0	113.3	I18 E29	I18-S26 PolarHBondContact O-N 2.93Å; S26-E29 PolarHBondContact O-N 2.95Å
27	P	94.3	Very high	92.2	Very high	80 Å²	80	50 Å²	50	52%	0.519	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	137.6	168.4	-19.3	31.2	0	0	0	111.7	V79	P27-V79 HydrophobicContact CG-CB 4.37Å; P27-V79 HydrophobicContact CG-CG2 4.13Å
28	G	92.7	Very high	92.4	Very high	56 Å²	56	45 Å²	45	58%	0.577	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.1	-20.1	-177.9	0	0	0	0	0	114	I76	G28-I76 PolarHBondContact N-O 3.25Å
29	E	92.7	Very high	92.5	Very high	98 Å²	98	45.7 Å²	45.7	46%	0.458	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-72.1	145.3	-179.2	-68.3	-60	153.5	0	0	112.5	S26 Y75 I76	S26-E29 PolarHBondContact O-N 2.95Å; E29-Y75 WeakPolarHBondContact O-CA 2.96Å; E29-I76 HydrophobicContact CB-CD1 4.01Å; E29-I76 PolarHBondContact O-N 2.95Å
30	K	94.6	Very high	92.5	Very high	74 Å²	74	49.8 Å²	49.8	32%	0.322	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.5	174.6	-174	-166.8	175	-143.9	0	108.7	I18 E32 D73 Y75	I18-K30 WeakPolarHBondContact CG2-O 3.42Å; K30-E32 IonicContact NZ-OE1 2.87Å; K30-E32 PolarHBondContact NZ-OE1 3.15Å; K30-D73 VanDerWaalsContact CE-CB 3.41Å; K30-D73 VanDerWaalsContact CE-CG 3.45Å; K30-D73 WeakPolarHBondContact CE-OD2 3.43Å; K30-D73 HydrophobicContact CG-CB 4.28Å; K30-D73 IonicContact NZ-OD2 2.72Å; K30-D73 PolarHBondContact NZ-OD2 3.47Å; K30-Y75 HydrophobicContact CB-CD1 4.06Å; K30-Y75 HydrophobicContact CB-CE1 3.67Å; K30-Y75 HydrophobicContact CG-CE1 4.03Å
31	V	95	Very high	92.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129	173.7	62.9	0	0	0	0	111.7	I18 Q35 L37 Y68 D73 S74 I76 L95	I18-V31 HydrophobicContact CD1-CB 3.92Å; I18-V31 HydrophobicContact CD1-CG2 3.59Å; V31-Q35 HydrophobicContact CG2-CB 4.05Å; V31-L37 HydrophobicContact CB-CD2 4.3Å; V31-L37 HydrophobicContact CG1-CD2 4.32Å; V31-L37 HydrophobicContact CG2-CD2 3.83Å; V31-Y68 HydrophobicContact CG1-CD1 4.23Å; V31-Y68 HydrophobicContact CG1-CD2 4.31Å; V31-Y68 HydrophobicContact CG1-CE1 4.43Å; V31-Y68 HydrophobicContact CG1-CG 4.16Å; V31-Y68 HydrophobicContact CG2-CD1 3.86Å; V31-Y68 HydrophobicContact CG2-CG 3.76Å; V31-D73 WeakPolarHBondContact O-CA 3.5Å; V31-S74 VanDerWaalsContact CG1-O 3.28Å; V31-S74 WeakPolarHBondContact CG1-O 3.29Å; V31-S74 WeakPolarHBondContact CG1-OG 3.17Å; V31-S74 PolarHBondContact N-O 3.43Å; V31-S74 PolarHBondContact O-N 3.2Å; V31-I76 HydrophobicContact CB-CD1 4.47Å; V31-L95 HydrophobicContact CG1-CD2 4Å
32	E	93.8	Very high	92.4	Very high	64 Å²	64	47.5 Å²	47.5	30%	0.299	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-103.6	161.4	176.2	-56.1	-169.3	156	0	0	111.4	W14 K30 K34 Q35 Y68	W14-E32 HydrophobicContact CZ2-CB 4.38Å; K30-E32 IonicContact NZ-OE1 2.87Å; K30-E32 PolarHBondContact NZ-OE1 3.15Å; E32-K34 PolarHBondContact O-N 3.44Å; E32-Q35 HydrophobicContact CB-CG 4.41Å; E32-Q35 WeakPolarHBondContact O-CB 3.42Å; E32-Q35 PolarHBondContact O-N 3.42Å; E32-Y68 WeakPolarHBondContact O-CD1 3.42Å
33	N	91.2	Very high	92.3	Very high	70 Å²	70	45.9 Å²	45.9	37%	0.374	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	132.4	-177	-171.7	15.5	0	0	0	111.7	W14 Q35 Y68 G70	W14-N33 WeakPolarHBondContact CH2-O 3.11Å; N33-Q35 VanDerWaalsContact C-N 3.32Å; N33-Y68 PolarHBondContact OD1-O 2.99Å; N33-G70 WeakPolarHBondContact CB-O 3.43Å; N33-G70 PolarHBondContact OD1-O 3.48Å
34	K	90.8	Very high	91.9	Very high	135 Å²	135	49.2 Å²	49.2	59%	0.587	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	0.5	-177.8	-50.7	175.8	179	171.7	0	116.7	W14 E32 Y68	W14-K34 HydrophobicContact CH2-CB 4.32Å; W14-K34 HydrophobicContact CZ3-CB 4.44Å; E32-K34 PolarHBondContact O-N 3.44Å; K34-Y68 WeakPolarHBondContact CA-O 3.27Å; K34-Y68 PolarHBondContact N-O 3.15Å
35	Q	93.5	Very high	90.9	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.023	30%	0.295	C	S	.	.			trans	-68.6	153.3	167.8	-71.7	-178.7	-31.3	0	0	111.1	W14 I18 V31 E32 N33 T67 Y68	W14-Q35 HydrophobicContact CD2-CG 4.48Å; W14-Q35 HydrophobicContact CH2-CG 4.22Å; W14-Q35 HydrophobicContact CZ2-CG 3.98Å; W14-Q35 PolarHBondContact O-NE2 3.11Å; I18-Q35 HydrophobicContact CD1-CB 3.94Å; I18-Q35 HydrophobicContact CG1-CB 4.46Å; V31-Q35 HydrophobicContact CG2-CB 4.05Å; E32-Q35 HydrophobicContact CB-CG 4.41Å; E32-Q35 WeakPolarHBondContact O-CB 3.42Å; E32-Q35 PolarHBondContact O-N 3.42Å; N33-Q35 VanDerWaalsContact C-N 3.32Å; Q35-T67 WeakPolarHBondContact O-CA 3.47Å; Q35-Y68 PolarHBondContact O-N 3.02Å
36	V	93.6	Very high	89.4	Confident	4 Å²	4	59 Å²	59	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.3	-178.1	177	0	0	0	0	109.1	R15 I18 L19 V38 N39 P65 T67	R15-V36 HydrophobicContact CB-CG2 4.41Å; R15-V36 WeakPolarHBondContact O-CB 3.49Å; R15-V36 PolarHBondContact O-N 3.43Å; I18-V36 WeakPolarHBondContact CD1-O 3.39Å; I18-V36 WeakPolarHBondContact CG1-O 3.5Å; L19-V36 HydrophobicContact CD1-CB 4.32Å; L19-V36 HydrophobicContact CD1-CG1 4.14Å; L19-V36 HydrophobicContact CD2-CG1 4.4Å; L19-V36 VanDerWaalsContact CD2-O 3.25Å; L19-V36 WeakPolarHBondContact CD2-O 3.39Å; V36-V38 WeakPolarHBondContact CG1-O 3.46Å; V36-N39 HydrophobicContact CG1-CB 4.28Å; V36-P65 HydrophobicContact CG1-CB 3.69Å; V36-P65 HydrophobicContact CG2-CB 4.1Å; V36-T67 HydrophobicContact CG2-CG2 4.03Å
37	L	93.3	Very high	87.9	Confident	15 Å²	15	65.2 Å²	65.2	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-42.2	175.8	-69.5	175	0	0	0	111.7	I18 C25 V31 I66 Y68 M93 L95	I18-L37 HydrophobicContact CD1-CD2 4.28Å; C25-L37 PolarHBondContact N-O 3.39Å; C25-L37 VanDerWaalsContact N-O 3.15Å; V31-L37 HydrophobicContact CB-CD2 4.3Å; V31-L37 HydrophobicContact CG1-CD2 4.32Å; V31-L37 HydrophobicContact CG2-CD2 3.83Å; L37-I66 PolarHBondContact N-O 3.08Å; L37-Y68 HydrophobicContact CD1-CD2 4.43Å; L37-M93 HydrophobicContact CB-CE 3.89Å; L37-M93 HydrophobicContact CB-SD 4.34Å; L37-M93 HydrophobicContact CD2-CE 4.14Å; L37-M93 HydrophobicContact CG-CE 4.49Å; L37-L95 HydrophobicContact CD1-CD1 4.27Å; L37-L95 HydrophobicContact CD2-CD2 4.27Å
38	V	94.1	Very high	86.1	Confident	16 Å²	16	69 Å²	69	10%	0.097	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	119.7	178.2	-177.3	0	0	0	0	108.4	V36 K40 P65 I66 I91 M93	V36-V38 WeakPolarHBondContact CG1-O 3.46Å; V38-K40 PolarHBondContact O-N 2.99Å; V38-K40 VanDerWaalsContact O-N 3.11Å; V38-P65 WeakPolarHBondContact O-CA 3.47Å; V38-I66 HydrophobicContact CB-CB 4.39Å; V38-I66 PolarHBondContact N-O 2.94Å; V38-I66 PolarHBondContact O-N 3.4Å; V38-I91 HydrophobicContact CG1-CD1 4.15Å; V38-I91 HydrophobicContact CG2-CG2 4.43Å; V38-M93 HydrophobicContact CG2-CE 4.39Å; V38-M93 HydrophobicContact CG2-SD 3.4Å; V38-M93 WeakPolarHBondContact CG2-SD 3.39Å
39	N	93.3	Very high	84.3	Confident	23 Å²	23	71 Å²	71	12%	0.123	37%	0.373	C	S	.	.			trans	-81.8	86.8	175.4	-169.9	17.2	0	0	0	110.2	M1 L19 G23 V36	M1-N39 PolarHBondContact O-ND2 2.94Å; L19-N39 HydrophobicContact CD1-CB 3.8Å; G23-N39 PolarHBondContact O-N 3.12Å; V36-N39 HydrophobicContact CG1-CB 4.28Å
40	K	91.5	Very high	82.5	Confident	97 Å²	97	74.2 Å²	74.2	42%	0.422	39%	0.392	S	S	.	.			trans	-97.2	133.8	-179.3	177	176.9	-179	176.2	0	110.6	V38 V64	V38-K40 PolarHBondContact O-N 2.99Å; V38-K40 VanDerWaalsContact O-N 3.11Å; K40-V64 WeakPolarHBondContact CB-O 3.18Å; K40-V64 CarbonylContact O-C 3.59Å; K40-V64 WeakPolarHBondContact O-CA 3.46Å; K40-V64 PolarHBondContact O-N 2.9Å
41	S	90.3	Very high	80.5	Confident	29 Å²	29	80.6 Å²	80.6	20%	0.203	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.2	168.9	57.9	0	0	0	0	110.1	K62	S41-K62 WeakPolarHBondContact CA-O 3.2Å
42	M	88.9	Confident	78.6	Confident	88 Å²	88	84.4 Å²	84.4	43%	0.433	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.5	178.8	-68	-172.7	65.6	0	0	109.9	T44 K62 V64	M42-T44 PolarHBondContact O-N 3.19Å; M42-K62 PolarHBondContact N-O 3.38Å; M42-K62 PolarHBondContact O-N 3.45Å; M42-V64 HydrophobicContact CB-CG2 4.22Å; M42-V64 HydrophobicContact CG-CB 4.42Å; M42-V64 HydrophobicContact CG-CG2 4.17Å; M42-V64 HydrophobicContact SD-CB 4.43Å; M42-V64 HydrophobicContact SD-CG2 4.25Å
43	P	88.5	Confident	76.7	Confident	53 Å²	53	85.1 Å²	85.1	34%	0.344	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.5	175.9	27	-33.4	0	0	0	110.5	T46 Q60 Y61	P43-T46 HydrophobicContact CG-CG2 4.15Å; P43-Q60 CarbonylContact C-O 3.44Å; P43-Q60 WeakPolarHBondContact CA-O 3.49Å; P43-Y61 HydrophobicContact CB-CD1 4.37Å; P43-Y61 HydrophobicContact CB-CE1 4.27Å
44	T	80.2	Confident	74.8	Confident	71 Å²	71	90 Å²	90	44%	0.436	50%	0.501	S	S	.	.	S	Bend	trans	-73.7	-27.7	179.3	21.7	0	0	0	0	113.2	M42 Q60 K62	M42-T44 PolarHBondContact O-N 3.19Å; T44-Q60 PolarHBondContact N-O 3.29Å; T44-Q60 WeakPolarHBondContact OG1-CB 3.38Å; T44-Q60 PolarHBondContact OG1-O 3.29Å; T44-K62 HydrophobicContact CG2-CB 3.76Å; T44-K62 HydrophobicContact CG2-CD 4.31Å
45	V	71.8	Confident	73.3	Confident	102 Å²	102	88.4 Å²	88.4	62%	0.618	50%	0.502	S	S	*	.			trans	-119.7	111.8	177.5	-175	0	0	0	0	108	Q47	V45-Q47 WeakPolarHBondContact CG1-O 3.35Å
46	T	62.1	Low	71.4	Confident	125 Å²	125	94.1 Å²	94.1	77%	0.767	54%	0.54	S	S	*	.			trans	-99.7	-3	173.1	45.9	0	0	0	0	112.4	P43	P43-T46 HydrophobicContact CG-CG2 4.15Å
47	Q	58.9	Low	70	Confident	165 Å²	165	102 Å²	102	77%	0.771	58%	0.577	S	S	*	*	S	Bend	trans	-90	133.7	177.8	-71.1	-174.1	-20.4	0	0	110.6	V45	V45-Q47 WeakPolarHBondContact CG1-O 3.35Å
48	I	57.8	Low	68.6	Low	159 Å²	159	109.8 Å²	109.8	82%	0.815	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-48.8	135.2	175.3	-56.3	161.7	0	0	0	108.7	L50	I48-L50 PolarHBondContact O-N 3.42Å
49	P	54.3	Low	67.6	Low	99 Å²	99	112.5 Å²	112.5	64%	0.643	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-58.3	137.5	173.7	-11.7	24.5	0	0	0	108.8	E51	P49-E51 PolarHBondContact O-N 3.17Å
50	L	55.4	Low	67.1	Low	164 Å²	164	118.2 Å²	118.2	86%	0.859	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-48.8	129.7	166.7	-85.4	112.1	0	0	0	109.1	I48 G52	I48-L50 PolarHBondContact O-N 3.42Å; L50-G52 PolarHBondContact O-N 3.01Å
51	E	51.5	Low	66.8	Low	208 Å²	208	120 Å²	120	97%	0.972	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	108.6	174.8	-68.6	-179.3	156.5	0	0	109.5	P49	P49-E51 PolarHBondContact O-N 3.17Å
52	G	55.8	Low	66.8	Low	80 Å²	80	125 Å²	125	83%	0.825	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.4	-21.1	175.4	0	0	0	0	0	117.4	L50	L50-G52 PolarHBondContact O-N 3.01Å
53	S	53.5	Low	66.8	Low	79 Å²	79	125.9 Å²	125.9	55%	0.552	69%	0.686	S	S	*	*			trans	-99.4	97.6	178.2	49.8	0	0	0	0	112.3	V55	S53-V55 PolarHBondContact O-N 3.41Å
54	N	52.3	Low	67	Low	172 Å²	172	126.5 Å²	126.5	92%	0.92	69%	0.689	S	S	*	*			trans	-68.7	23.6	175.9	-102.5	-7.7	0	0	0	115.1
55	V	58.8	Low	67.6	Low	102 Å²	102	125.5 Å²	125.5	62%	0.618	68%	0.683	S	S	*	*	S	Bend	trans	-107.2	118.6	174.2	-174.7	0	0	0	0	107.6	S53 Q57	S53-V55 PolarHBondContact O-N 3.41Å; V55-Q57 PolarHBondContact O-N 3.14Å
56	P	54.6	Low	68.6	Low	126 Å²	126	125.1 Å²	125.1	82%	0.818	68%	0.677	S	S	*	*			trans	-67.1	87.7	172	26.5	-30.9	0	0	0	108.7	Q58	P56-Q58 PolarHBondContact O-N 2.92Å
57	Q	62.7	Low	70	Confident	170 Å²	170	121.7 Å²	121.7	79%	0.794	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-70.7	120	169.6	-82.9	-175.2	-14.4	0	0	107.9	V55	V55-Q57 PolarHBondContact O-N 3.14Å
58	Q	64.9	Low	71.7	Confident	178 Å²	178	115 Å²	115	83%	0.832	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-55	132.1	169.5	-72.6	-179.6	-10.4	0	0	108.6	P56 Q60	P56-Q58 PolarHBondContact O-N 2.92Å; Q58-Q60 PolarHBondContact O-N 3.32Å; Q58-Q60 VanDerWaalsContact O-N 3.15Å
59	P	72.8	Confident	73.1	Confident	72 Å²	72	115.6 Å²	115.6	47%	0.468	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-58.6	124.5	177.2	21.8	-29.7	0	0	0	108.6	Y61	P59-Y61 HydrophobicContact CB-CE2 4.25Å; P59-Y61 HydrophobicContact CG-CE2 3.83Å; P59-Y61 WeakPolarHBondContact O-CD2 3.44Å; P59-Y61 WeakPolarHBondContact O-CE2 3.45Å; P59-Y61 PolarHBondContact O-N 3.46Å
60	Q	82.7	Confident	74.6	Confident	144 Å²	144	111.6 Å²	111.6	67%	0.673	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-70.8	131.6	175	-172.9	-179.9	32	0	0	108.5	P43 T44 Q58	P43-Q60 CarbonylContact C-O 3.44Å; P43-Q60 WeakPolarHBondContact CA-O 3.49Å; T44-Q60 PolarHBondContact N-O 3.29Å; T44-Q60 WeakPolarHBondContact OG1-CB 3.38Å; T44-Q60 PolarHBondContact OG1-O 3.29Å; Q58-Q60 PolarHBondContact O-N 3.32Å; Q58-Q60 VanDerWaalsContact O-N 3.15Å
61	Y	85.1	Confident	76.1	Confident	134 Å²	134	107.7 Å²	107.7	53%	0.525	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.1	144.4	177.4	-68.3	-90.6	0	0	0	110.6	P43 P59	P43-Y61 HydrophobicContact CB-CD1 4.37Å; P43-Y61 HydrophobicContact CB-CE1 4.27Å; P59-Y61 HydrophobicContact CB-CE2 4.25Å; P59-Y61 HydrophobicContact CG-CE2 3.83Å; P59-Y61 WeakPolarHBondContact O-CD2 3.44Å; P59-Y61 WeakPolarHBondContact O-CE2 3.45Å; P59-Y61 PolarHBondContact O-N 3.46Å
62	K	89.6	Confident	77.9	Confident	134 Å²	134	99.7 Å²	99.7	58%	0.583	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.5	132.4	170.4	178	-179.1	-174.4	-179.2	0	109.3	S41 M42 T44 V64	S41-K62 WeakPolarHBondContact CA-O 3.2Å; M42-K62 PolarHBondContact N-O 3.38Å; M42-K62 PolarHBondContact O-N 3.45Å; T44-K62 HydrophobicContact CG2-CB 3.76Å; T44-K62 HydrophobicContact CG2-CD 4.31Å; K62-V64 PolarHBondContact O-N 2.75Å
63	D	89.3	Confident	79.7	Confident	106 Å²	106	98.9 Å²	98.9	57%	0.567	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.7	178.7	-61.1	-33	0	0	0	111.2	P65	D63-P65 VanDerWaalsContact C-CD 3.46Å
64	V	92.1	Very high	81.7	Confident	67 Å²	67	95.3 Å²	95.3	41%	0.406	51%	0.505	S	S	.	.			trans	-133.5	61.4	176.6	-168.1	0	0	0	0	109	K40 M42 K62	K40-V64 WeakPolarHBondContact CB-O 3.18Å; K40-V64 CarbonylContact O-C 3.59Å; K40-V64 WeakPolarHBondContact O-CA 3.46Å; K40-V64 PolarHBondContact O-N 2.9Å; M42-V64 HydrophobicContact CB-CG2 4.22Å; M42-V64 HydrophobicContact CG-CB 4.42Å; M42-V64 HydrophobicContact CG-CG2 4.17Å; M42-V64 HydrophobicContact SD-CB 4.43Å; M42-V64 HydrophobicContact SD-CG2 4.25Å; K62-V64 PolarHBondContact O-N 2.75Å
65	P	92.8	Very high	83.8	Confident	50 Å²	50	92.1 Å²	92.1	33%	0.325	48%	0.481	S	S	.	.			trans	-68.8	148	-175.6	29.1	-35.6	0	0	0	111.9	V36 V38 D63	V36-P65 HydrophobicContact CG1-CB 3.69Å; V36-P65 HydrophobicContact CG2-CB 4.1Å; V38-P65 WeakPolarHBondContact O-CA 3.47Å; D63-P65 VanDerWaalsContact C-CD 3.46Å
66	I	92.7	Very high	85.6	Confident	93 Å²	93	87.3 Å²	87.3	48%	0.477	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.5	171.8	-59.1	177.4	0	0	0	107.7	L37 V38	L37-I66 PolarHBondContact N-O 3.08Å; V38-I66 HydrophobicContact CB-CB 4.39Å; V38-I66 PolarHBondContact N-O 2.94Å; V38-I66 PolarHBondContact O-N 3.4Å
67	T	93.1	Very high	87.5	Confident	53 Å²	53	86.1 Å²	86.1	33%	0.325	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	145.4	-177.3	47.3	0	0	0	0	111.9	Q35 V36	Q35-T67 WeakPolarHBondContact O-CA 3.47Å; V36-T67 HydrophobicContact CG2-CG2 4.03Å
68	Y	93.5	Very high	89.1	Confident	26 Å²	26	83.9 Å²	83.9	10%	0.102	42%	0.423	C	S	.	.			trans	-73.2	129.3	171.4	-179	-113.1	0	0	0	110.4	V31 E32 N33 K34 Q35 L37 T72 S74 L95	V31-Y68 HydrophobicContact CG1-CD1 4.23Å; V31-Y68 HydrophobicContact CG1-CD2 4.31Å; V31-Y68 HydrophobicContact CG1-CE1 4.43Å; V31-Y68 HydrophobicContact CG1-CG 4.16Å; V31-Y68 HydrophobicContact CG2-CD1 3.86Å; V31-Y68 HydrophobicContact CG2-CG 3.76Å; E32-Y68 WeakPolarHBondContact O-CD1 3.42Å; N33-Y68 PolarHBondContact OD1-O 2.99Å; K34-Y68 WeakPolarHBondContact CA-O 3.27Å; K34-Y68 PolarHBondContact N-O 3.15Å; Q35-Y68 PolarHBondContact O-N 3.02Å; L37-Y68 HydrophobicContact CD1-CD2 4.43Å; Y68-T72 WeakPolarHBondContact CE1-O 3.42Å; Y68-T72 PolarHBondContact OH-O 2.94Å; Y68-S74 WeakPolarHBondContact CE2-OG 3.21Å; Y68-S74 VanDerWaalsContact CZ-OG 3.25Å; Y68-S74 PolarHBondContact OH-OG 2.99Å; Y68-L95 HydrophobicContact CD2-CD1 3.96Å; Y68-L95 HydrophobicContact CE2-CD1 4Å
69	K	87.7	Confident	90.5	Very high	171 Å²	171	77.1 Å²	77.1	74%	0.743	39%	0.394	S	S	*	.			trans	-126	57.7	-178.8	-63.8	-178.2	-176.5	177	0	110.8
70	G	86.4	Confident	91.6	Very high	14 Å²	14	77.8 Å²	77.8	14%	0.144	39%	0.392	C	S	.	.			trans	-102.1	151.6	173	0	0	0	0	0	111.8	N33 T72	N33-G70 WeakPolarHBondContact CB-O 3.43Å; N33-G70 PolarHBondContact OD1-O 3.48Å; G70-T72 VanDerWaalsContact C-N 3.27Å
71	A	85.6	Confident	92.1	Very high	82 Å²	82	75.6 Å²	75.6	68%	0.678	38%	0.384	S	S	*	.	S	Bend	trans	-75.6	-21.1	169.9	0	0	0	0	0	112.4
72	T	90.7	Very high	92.6	Very high	40 Å²	40	72.1 Å²	72.1	25%	0.245	38%	0.379	C	S	.	.	S	Bend	trans	-129.6	154.9	-177.6	41.1	0	0	0	0	109.3	Y68 G70 Q97 L227	Y68-T72 WeakPolarHBondContact CE1-O 3.42Å; Y68-T72 PolarHBondContact OH-O 2.94Å; G70-T72 VanDerWaalsContact C-N 3.27Å; T72-Q97 VanDerWaalsContact CB-NE2 3.32Å; T72-Q97 PolarHBondContact OG1-NE2 3.12Å; T72-Q97 PolarHBondContact OG1-OE1 3.19Å; T72-L227 HydrophobicContact CG2-CD1 3.89Å; T72-L227 HydrophobicContact CG2-CD2 3.75Å; T72-L227 HydrophobicContact CG2-CG 4.34Å
73	D	93.9	Very high	92.8	Very high	64 Å²	64	68.6 Å²	68.6	34%	0.342	37%	0.371	S	S	.	.			trans	-69.9	148.9	-179	-50.2	-27.5	0	0	0	110.4	K30 V31	K30-D73 VanDerWaalsContact CE-CB 3.41Å; K30-D73 VanDerWaalsContact CE-CG 3.45Å; K30-D73 WeakPolarHBondContact CE-OD2 3.43Å; K30-D73 HydrophobicContact CG-CB 4.28Å; K30-D73 IonicContact NZ-OD2 2.72Å; K30-D73 PolarHBondContact NZ-OD2 3.47Å; V31-D73 WeakPolarHBondContact O-CA 3.5Å
74	S	95.3	Very high	93	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	164.3	176.7	65.1	0	0	0	0	110.1	V31 Y68	V31-S74 VanDerWaalsContact CG1-O 3.28Å; V31-S74 WeakPolarHBondContact CG1-O 3.29Å; V31-S74 WeakPolarHBondContact CG1-OG 3.17Å; V31-S74 PolarHBondContact N-O 3.43Å; V31-S74 PolarHBondContact O-N 3.2Å; Y68-S74 WeakPolarHBondContact CE2-OG 3.21Å; Y68-S74 VanDerWaalsContact CZ-OG 3.25Å; Y68-S74 PolarHBondContact OH-OG 2.99Å
75	Y	95.8	Very high	93.1	Very high	105 Å²	105	69.7 Å²	69.7	41%	0.412	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.8	176.5	-68.4	-92.6	0	0	0	109.3	E29 K30 E77 L95 R96	E29-Y75 WeakPolarHBondContact O-CA 2.96Å; K30-Y75 HydrophobicContact CB-CD1 4.06Å; K30-Y75 HydrophobicContact CB-CE1 3.67Å; K30-Y75 HydrophobicContact CG-CE1 4.03Å; Y75-E77 PolarHBondContact O-N 2.79Å; Y75-L95 CarbonylContact O-C 3.6Å; Y75-L95 WeakPolarHBondContact O-CA 3.45Å; Y75-R96 PolarHBondContact N-O 3.34Å; Y75-R96 PolarHBondContact O-N 3.15Å
76	I	95.8	Very high	93.1	Very high	1 Å²	1	75.6 Å²	75.6	1%	0.005	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.7	173.1	-60.5	135.3	0	0	0	107.5	C25 G28 E29 V31 V79 L95	C25-I76 HydrophobicContact CB-CD1 3.59Å; C25-I76 WeakPolarHBondContact SG-CD1 3.41Å; C25-I76 VanDerWaalsContact SG-CG1 3.53Å; G28-I76 PolarHBondContact N-O 3.25Å; E29-I76 HydrophobicContact CB-CD1 4.01Å; E29-I76 PolarHBondContact O-N 2.95Å; V31-I76 HydrophobicContact CB-CD1 4.47Å; I76-V79 HydrophobicContact CG2-CG2 3.61Å; I76-L95 HydrophobicContact CB-CD2 4.46Å; I76-L95 HydrophobicContact CG1-CD2 3.72Å
77	E	95.6	Very high	93	Very high	101 Å²	101	77.2 Å²	77.2	47%	0.472	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-46.4	-177.9	179.3	170.2	-160.4	0	0	111.5	Y75 L94 R96	Y75-E77 PolarHBondContact O-N 2.79Å; E77-L94 HydrophobicContact CB-CD2 4.48Å; E77-L94 HydrophobicContact CB-CG 4.4Å; E77-L94 HydrophobicContact CG-CD2 4.34Å; E77-L94 PolarHBondContact N-O 3.45Å; E77-L94 WeakPolarHBondContact OE2-CD2 3.4Å; E77-R96 HydrophobicContact CB-CB 4.07Å; E77-R96 WeakPolarHBondContact OE2-CB 3.42Å
78	K	95.8	Very high	92.9	Very high	123 Å²	123	77 Å²	77	54%	0.535	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	131.8	-177.2	-170.4	173.2	-177.6	173.3	0	110.9	M93 L94	K78-M93 CarbonylContact O-C 3.49Å; K78-M93 WeakPolarHBondContact O-CA 3.26Å; K78-L94 HydrophobicContact CB-CB 4.13Å; K78-L94 PolarHBondContact N-O 3.15Å; K78-L94 PolarHBondContact O-N 3.15Å
79	V	95.4	Very high	92.7	Very high	36 Å²	36	84 Å²	84	22%	0.218	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.1	169.3	-179.3	0	0	0	0	107.7	I24 C25 P27 I76 I91 M93	I24-V79 HydrophobicContact CG2-CG1 3.75Å; C25-V79 WeakPolarHBondContact O-CG2 3.18Å; P27-V79 HydrophobicContact CG-CB 4.37Å; P27-V79 HydrophobicContact CG-CG2 4.13Å; I76-V79 HydrophobicContact CG2-CG2 3.61Å; V79-I91 HydrophobicContact CG1-CG2 4.42Å; V79-M93 HydrophobicContact CG1-CG 4.42Å; V79-M93 HydrophobicContact CG2-CG 4.41Å
80	M	94.4	Very high	93	Very high	86 Å²	86	79 Å²	79	42%	0.424	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.1	178.9	174.8	-165.8	-71.5	0	0	108.4	I91 K92	M80-I91 CarbonylContact O-C 3.56Å; M80-I91 WeakPolarHBondContact O-CA 3.43Å; M80-K92 HydrophobicContact CB-CB 4.37Å; M80-K92 PolarHBondContact N-O 3.37Å; M80-K92 PolarHBondContact O-N 2.99Å; M80-K92 HydrophobicContact SD-CD 4.42Å
81	I	93.7	Very high	93.4	Very high	99 Å²	99	81.5 Å²	81.5	51%	0.508	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.6	171.9	-52.6	174.3	0	0	0	106.4	I24 I91	I24-I81 HydrophobicContact CD1-CD1 3.66Å; I24-I81 HydrophobicContact CD1-CG1 4.3Å; I81-I91 HydrophobicContact CG1-CG1 4.45Å
82	S	94.8	Very high	93.8	Very high	60 Å²	60	83.6 Å²	83.6	42%	0.42	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157.4	178.8	-171.3	0	0	0	0	109.2	L90	S82-L90 PolarHBondContact N-O 3.44Å; S82-L90 PolarHBondContact O-N 3.49Å
83	S	95.5	Very high	93.9	Very high	61 Å²	61	84.1 Å²	84.1	43%	0.427	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	153.4	164.5	51.7	0	0	0	0	110.3	A88	S83-A88 WeakPolarHBondContact CA-O 2.96Å
84	N	93.6	Very high	94	Very high	86 Å²	86	85.4 Å²	85.4	46%	0.46	45%	0.448	S	S	.	.			trans	-85.4	174.9	164.8	-74.8	-8.7	0	0	0	110.2	E86 D87 A88	N84-E86 PolarHBondContact O-N 2.86Å; N84-E86 VanDerWaalsContact O-N 3.15Å; N84-D87 PolarHBondContact O-N 3.47Å; N84-A88 PolarHBondContact N-O 2.91Å
85	A	92.9	Very high	94	Very high	110 Å²	110	88.2 Å²	88.2	91%	0.909	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	175.7	0	0	0	0	0	114.2	D87	A85-D87 VanDerWaalsContact C-N 3.3Å
86	E	92.9	Very high	94	Very high	173 Å²	173	89 Å²	89	81%	0.808	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	17.5	175.3	-60	176.3	172.9	0	0	112.4	N84 A88	N84-E86 PolarHBondContact O-N 2.86Å; N84-E86 VanDerWaalsContact O-N 3.15Å; E86-A88 PolarHBondContact O-N 3.13Å
87	D	90	Very high	94	Very high	128 Å²	128	91.6 Å²	91.6	68%	0.684	48%	0.477	S	S	*	.			trans	56.8	15.6	-175.8	-64.7	-39.3	0	0	0	115.4	N84 A85 F89	N84-D87 PolarHBondContact O-N 3.47Å; A85-D87 VanDerWaalsContact C-N 3.3Å; D87-F89 PolarHBondContact O-N 3.42Å
88	A	91.1	Very high	93.8	Very high	47 Å²	47	92 Å²	92	39%	0.388	49%	0.487	S	S	.	.			trans	-75.2	122.3	172.6	0	0	0	0	0	110.8	S83 N84 E86	S83-A88 WeakPolarHBondContact CA-O 2.96Å; N84-A88 PolarHBondContact N-O 2.91Å; E86-A88 PolarHBondContact O-N 3.13Å
89	F	90.9	Very high	93.7	Very high	175 Å²	175	89.8 Å²	89.8	77%	0.768	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	135	176	-67	-75.6	0	0	0	112.2	D87	D87-F89 PolarHBondContact O-N 3.42Å
90	L	93.4	Very high	93.6	Very high	65 Å²	65	97.9 Å²	97.9	34%	0.34	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.6	178.5	-176.3	74.2	0	0	0	109.5	S82 K92	S82-L90 PolarHBondContact N-O 3.44Å; S82-L90 PolarHBondContact O-N 3.49Å; L90-K92 HydrophobicContact CD2-CD 4.27Å; L90-K92 VanDerWaalsContact CD2-CE 3.4Å; L90-K92 HydrophobicContact CD2-CG 4.12Å; L90-K92 HydrophobicContact CG-CG 4.27Å
91	I	93.6	Very high	93.7	Very high	67 Å²	67	97.3 Å²	97.3	34%	0.344	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.6	175	-56.7	164.8	0	0	0	107.5	I24 V38 V79 M80 I81 M93	I24-I91 HydrophobicContact CD1-CD1 3.69Å; I24-I91 HydrophobicContact CD1-CG1 4.3Å; I24-I91 HydrophobicContact CG1-CD1 4.18Å; I24-I91 HydrophobicContact CG2-CG2 4.38Å; V38-I91 HydrophobicContact CG1-CD1 4.15Å; V38-I91 HydrophobicContact CG2-CG2 4.43Å; V79-I91 HydrophobicContact CG1-CG2 4.42Å; M80-I91 CarbonylContact O-C 3.56Å; M80-I91 WeakPolarHBondContact O-CA 3.43Å; I81-I91 HydrophobicContact CG1-CG1 4.45Å; I91-M93 HydrophobicContact CG2-CG 4.03Å; I91-M93 HydrophobicContact CG2-SD 4.25Å
92	K	94.7	Very high	93.7	Very high	125 Å²	125	97.2 Å²	97.2	54%	0.543	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.1	173.2	-70.5	-175.4	-177.7	174.8	0	109.2	M80 L90	M80-K92 HydrophobicContact CB-CB 4.37Å; M80-K92 PolarHBondContact N-O 3.37Å; M80-K92 PolarHBondContact O-N 2.99Å; M80-K92 HydrophobicContact SD-CD 4.42Å; L90-K92 HydrophobicContact CD2-CD 4.27Å; L90-K92 VanDerWaalsContact CD2-CE 3.4Å; L90-K92 HydrophobicContact CD2-CG 4.12Å; L90-K92 HydrophobicContact CG-CG 4.27Å
93	M	93.5	Very high	93.9	Very high	51 Å²	51	99.1 Å²	99.1	25%	0.251	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.9	-176.4	-58.2	166.1	67.5	0	0	109.1	C25 L37 V38 K78 V79 I91	C25-M93 WeakPolarHBondContact SG-CE 3.44Å; L37-M93 HydrophobicContact CB-CE 3.89Å; L37-M93 HydrophobicContact CB-SD 4.34Å; L37-M93 HydrophobicContact CD2-CE 4.14Å; L37-M93 HydrophobicContact CG-CE 4.49Å; V38-M93 HydrophobicContact CG2-CE 4.39Å; V38-M93 HydrophobicContact CG2-SD 3.4Å; V38-M93 WeakPolarHBondContact CG2-SD 3.39Å; K78-M93 CarbonylContact O-C 3.49Å; K78-M93 WeakPolarHBondContact O-CA 3.26Å; V79-M93 HydrophobicContact CG1-CG 4.42Å; V79-M93 HydrophobicContact CG2-CG 4.41Å; I91-M93 HydrophobicContact CG2-CG 4.03Å; I91-M93 HydrophobicContact CG2-SD 4.25Å
94	L	96.2	Very high	93.9	Very high	92 Å²	92	97.5 Å²	97.5	48%	0.482	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.5	173.7	-175.9	63.8	0	0	0	108.5	E77 K78	E77-L94 HydrophobicContact CB-CD2 4.48Å; E77-L94 HydrophobicContact CB-CG 4.4Å; E77-L94 HydrophobicContact CG-CD2 4.34Å; E77-L94 PolarHBondContact N-O 3.45Å; E77-L94 WeakPolarHBondContact OE2-CD2 3.4Å; K78-L94 HydrophobicContact CB-CB 4.13Å; K78-L94 PolarHBondContact N-O 3.15Å; K78-L94 PolarHBondContact O-N 3.15Å
95	L	95.3	Very high	94.1	Very high	61 Å²	61	93.6 Å²	93.6	32%	0.319	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.7	175.8	-62.7	165	0	0	0	108.5	V31 L37 Y68 Y75 I76	V31-L95 HydrophobicContact CG1-CD2 4Å; L37-L95 HydrophobicContact CD1-CD1 4.27Å; L37-L95 HydrophobicContact CD2-CD2 4.27Å; Y68-L95 HydrophobicContact CD2-CD1 3.96Å; Y68-L95 HydrophobicContact CE2-CD1 4Å; Y75-L95 CarbonylContact O-C 3.6Å; Y75-L95 WeakPolarHBondContact O-CA 3.45Å; I76-L95 HydrophobicContact CB-CD2 4.46Å; I76-L95 HydrophobicContact CG1-CD2 3.72Å
96	R	95.5	Very high	94.3	Very high	122 Å²	122	91 Å²	91	46%	0.46	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.2	178.4	-172.5	175.3	65.5	97.9	-0.4	110.5	Y75 E77 T98	Y75-R96 PolarHBondContact N-O 3.34Å; Y75-R96 PolarHBondContact O-N 3.15Å; E77-R96 HydrophobicContact CB-CB 4.07Å; E77-R96 WeakPolarHBondContact OE2-CB 3.42Å; R96-T98 PolarHBondContact NH1-OG1 3.22Å
97	Q	94.6	Very high	94.5	Very high	56 Å²	56	84.9 Å²	84.9	26%	0.262	42%	0.417	S	S	.	.			trans	-132.1	128.4	173	-170.8	-173.2	-1.8	0	0	109.6	T72 R99	T72-Q97 VanDerWaalsContact CB-NE2 3.32Å; T72-Q97 PolarHBondContact OG1-NE2 3.12Å; T72-Q97 PolarHBondContact OG1-OE1 3.19Å; Q97-R99 HydrophobicContact CG-CG 4.01Å; Q97-R99 VanDerWaalsContact OE1-CZ 3.28Å
98	T	93.2	Very high	94.8	Very high	109 Å²	109	79.2 Å²	79.2	67%	0.669	39%	0.387	S	S	*	.			trans	-90.5	123.1	172.4	-54.8	0	0	0	0	108.5	R96	R96-T98 PolarHBondContact NH1-OG1 3.22Å
99	R	92.8	Very high	95	Very high	76 Å²	76	77 Å²	77	29%	0.287	37%	0.369	S	S	.	.			trans	-122.6	123.8	-177.5	-63.7	-177.1	-178.5	-178.2	-1.6	110.7	Q97 M225 D228	Q97-R99 HydrophobicContact CG-CG 4.01Å; Q97-R99 VanDerWaalsContact OE1-CZ 3.28Å; R99-M225 HydrophobicContact CB-SD 4.46Å; R99-D228 IonicContact CZ-OD1 3.38Å; R99-D228 IonicContact CZ-OD2 3.86Å; R99-D228 IonicContact NH1-OD1 2.85Å; R99-D228 PolarHBondContact NH1-OD1 2.88Å; R99-D228 IonicContact NH1-OD2 2.76Å; R99-D228 PolarHBondContact NH1-OD2 3.05Å; R99-D228 IonicContact NH2-OD1 3.03Å; R99-D228 PolarHBondContact NH2-OD1 3.18Å
100	R	94.1	Very high	95.2	Very high	207 Å²	207	76.8 Å²	76.8	78%	0.781	36%	0.363	S	S	*	.			trans	-78.4	150.6	172.6	-65.6	-176.2	176.5	-172.9	-1.5	109.5	E102	R100-E102 PolarHBondContact O-N 2.77Å
101	P	95.3	Very high	95.3	Very high	73 Å²	73	76.6 Å²	76.6	47%	0.474	36%	0.361	S	S	.	.			trans	-56.3	127.5	166.9	-27.2	37.5	0	0	0	111.8	F107	P101-F107 HydrophobicContact CB-CZ 4.08Å; P101-F107 HydrophobicContact CG-CZ 4.48Å
102	E	95	Very high	95.3	Very high	98 Å²	98	75.8 Å²	75.8	46%	0.458	37%	0.368	S	S	.	.			trans	-126.3	166.1	179.3	-70.2	174.4	179.7	0	0	110.7	R100 G104 D105	R100-E102 PolarHBondContact O-N 2.77Å; E102-G104 PolarHBondContact O-N 2.82Å; E102-D105 VanDerWaalsContact O-CB 3.32Å; E102-D105 WeakPolarHBondContact O-CB 3.42Å; E102-D105 PolarHBondContact O-N 2.83Å
103	I	97.2	Very high	95.2	Very high	99 Å²	99	70.4 Å²	70.4	51%	0.508	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	129.6	177.4	-62.6	169.8	0	0	0	109.4	I120 V226	I103-I120 HydrophobicContact CG1-CD1 4.26Å; I103-I120 HydrophobicContact CG1-CG1 4.23Å; I103-V226 WeakPolarHBondContact O-CG1 3.22Å
104	G	96.4	Very high	95.3	Very high	27 Å²	27	74.6 Å²	74.6	28%	0.278	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	-11.3	-176.2	0	0	0	0	0	115.2	E102 C117	E102-G104 PolarHBondContact O-N 2.82Å; G104-C117 PolarHBondContact N-O 2.81Å
105	D	97.3	Very high	95.3	Very high	4 Å²	4	72 Å²	72	2%	0.021	36%	0.358	C	S	.	.			trans	-62.9	142.3	170.6	-85.8	-0.2	0	0	0	111	E102 F107 V116 C117 K221 M225 V226	E102-D105 VanDerWaalsContact O-CB 3.32Å; E102-D105 WeakPolarHBondContact O-CB 3.42Å; E102-D105 PolarHBondContact O-N 2.83Å; D105-F107 HydrophobicContact CB-CE2 4Å; D105-V116 CarbonylContact O-C 3.58Å; D105-V116 WeakPolarHBondContact O-CA 3.4Å; D105-C117 PolarHBondContact O-N 3.32Å; D105-K221 WeakPolarHBondContact OD2-CE 3.21Å; D105-K221 IonicContact OD2-NZ 2.94Å; D105-K221 PolarHBondContact OD2-NZ 3.49Å; D105-M225 WeakPolarHBondContact OD1-CA 3.48Å; D105-M225 WeakPolarHBondContact OD1-CB 3.25Å; D105-V226 PolarHBondContact OD1-N 2.85Å; D105-V226 VanDerWaalsContact OD1-N 3.1Å
106	K	97.5	Very high	95.4	Very high	57 Å²	57	73.6 Å²	73.6	25%	0.248	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.3	-174.6	-162.7	174	-72	-165.8	0	112.3	G115 L222 H224	K106-G115 WeakPolarHBondContact CA-O 3.4Å; K106-G115 WeakPolarHBondContact CG-O 3.45Å; K106-L222 HydrophobicContact CB-CB 4.38Å; K106-L222 HydrophobicContact CD-CD1 3.94Å; K106-L222 HydrophobicContact CG-CD1 3.96Å; K106-L222 WeakPolarHBondContact O-CB 3.43Å; K106-L222 PolarHBondContact O-N 2.95Å; K106-H224 HydrophobicContact CB-CB 4.01Å; K106-H224 HydrophobicContact CD-CB 4.33Å; K106-H224 PolarHBondContact N-O 3.05Å
107	F	97.4	Very high	95.5	Very high	43 Å²	43	69.1 Å²	69.1	19%	0.189	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	158.5	174.5	-63.5	-91.5	0	0	0	110.6	P101 D105 K114 G115 C117 Y219 Q220 K221	P101-F107 HydrophobicContact CB-CZ 4.08Å; P101-F107 HydrophobicContact CG-CZ 4.48Å; D105-F107 HydrophobicContact CB-CE2 4Å; F107-K114 WeakPolarHBondContact O-CA 3.21Å; F107-G115 PolarHBondContact N-O 3.31Å; F107-G115 PolarHBondContact O-N 3.44Å; F107-G115 VanDerWaalsContact O-O 3.12Å; F107-C117 HydrophobicContact CE2-CB 4.26Å; F107-Y219 HydrophobicContact CB-CD1 4.31Å; F107-Q220 CarbonylContact C-O 3.59Å; F107-Q220 WeakPolarHBondContact CA-O 3.43Å; F107-K221 HydrophobicContact CD1-CB 3.99Å; F107-K221 HydrophobicContact CD1-CG 4.22Å; F107-K221 HydrophobicContact CE1-CB 3.77Å; F107-K221 HydrophobicContact CE1-CD 4.09Å; F107-K221 HydrophobicContact CE1-CG 3.75Å; F107-K221 HydrophobicContact CZ-CD 4.25Å; F107-K221 HydrophobicContact CZ-CG 4.19Å
108	S	96.6	Very high	95.6	Very high	9 Å²	9	69.3 Å²	69.3	6%	0.063	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139.6	174.4	-168.4	0	0	0	0	110.8	Q113 Q220	S108-Q113 WeakPolarHBondContact CA-O 3.08Å; S108-Q220 PolarHBondContact N-O 3.3Å; S108-Q220 PolarHBondContact O-N 3.25Å
109	S	95.6	Very high	95.7	Very high	2 Å²	2	70.3 Å²	70.3	1%	0.014	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	168.5	157.3	66.7	0	0	0	0	110.2	H111 Q113	S109-H111 PolarHBondContact O-N 3.02Å; S109-H111 PolarHBondContact OG-N 3.06Å; S109-Q113 PolarHBondContact N-O 2.77Å; S109-Q113 WeakPolarHBondContact OG-CB 3.49Å
110	R	95.2	Very high	95.9	Very high	169 Å²	169	71.4 Å²	71.4	64%	0.638	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.1	172.9	-69.3	178.7	57.9	175.5	-4.7	114.2	G112 Y218	R110-G112 VanDerWaalsContact C-N 3.35Å; R110-G112 PolarHBondContact O-N 3.35Å; R110-Y218 HydrophobicContact CG-CD1 3.94Å
111	H	95.4	Very high	96	Very high	62 Å²	62	64.1 Å²	64.1	29%	0.287	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	25.8	-177.2	-59	-81.7	0	0	0	113.4	S109 Q113 T149 K152 E155	S109-H111 PolarHBondContact O-N 3.02Å; S109-H111 PolarHBondContact OG-N 3.06Å; H111-Q113 PolarHBondContact O-N 2.81Å; H111-Q113 VanDerWaalsContact O-N 3.09Å; H111-T149 HydrophobicContact CB-CG2 4.5Å; H111-K152 HydrophobicContact CB-CB 4.28Å; H111-K152 VanDerWaalsContact CD2-CB 3.44Å; H111-K152 WeakPolarHBondContact CD2-CB 3.19Å; H111-K152 PolarHBondContact CE1-N 2.81Å; H111-K152 WeakPolarHBondContact NE2-CA 3.4Å; H111-E155 IonicContact CD2-OE2 2.8Å; H111-E155 PolarHBondContact CD2-OE2 3.21Å; H111-E155 VanDerWaalsContact CD2-OE2 3.23Å; H111-E155 IonicContact CE1-OE2 3.23Å; H111-E155 IonicContact NE2-OE2 3.89Å; H111-E155 PolarHBondContact NE2-OE2 2.9Å
112	G	91.9	Very high	96.1	Very high	49 Å²	49	63.6 Å²	63.6	51%	0.505	36%	0.36	S	S	.	.	S	Bend	trans	69.8	6.6	177.3	0	0	0	0	0	115.2	R110 K114	R110-G112 VanDerWaalsContact C-N 3.35Å; R110-G112 PolarHBondContact O-N 3.35Å; G112-K114 PolarHBondContact O-N 2.61Å; G112-K114 VanDerWaalsContact O-N 3.11Å
113	Q	94.1	Very high	96.2	Very high	12 Å²	12	65.8 Å²	65.8	6%	0.056	37%	0.37	C	S	.	.			trans	-82	92.3	174.1	-57.8	176.6	-3.1	0	0	110.1	S108 S109 H111 M139 T149 K152	S108-Q113 WeakPolarHBondContact CA-O 3.08Å; S109-Q113 PolarHBondContact N-O 2.77Å; S109-Q113 WeakPolarHBondContact OG-CB 3.49Å; H111-Q113 PolarHBondContact O-N 2.81Å; H111-Q113 VanDerWaalsContact O-N 3.09Å; Q113-M139 PolarHBondContact OE1-SD 3.4Å; Q113-T149 HydrophobicContact CG-CG2 4.46Å; Q113-T149 PolarHBondContact NE2-OG1 3.26Å; Q113-K152 VanDerWaalsContact OE1-CD 3.24Å
114	K	95	Very high	96.1	Very high	140 Å²	140	67.6 Å²	67.6	61%	0.609	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.2	173.1	-59.1	171.9	-171.7	171	0	109.7	F107 G112 L222	F107-K114 WeakPolarHBondContact O-CA 3.21Å; G112-K114 PolarHBondContact O-N 2.61Å; G112-K114 VanDerWaalsContact O-N 3.11Å; K114-L222 HydrophobicContact CD-CD1 4.49Å; K114-L222 HydrophobicContact CG-CD1 4.38Å
115	G	95.7	Very high	96.1	Very high	38 Å²	38	69.5 Å²	69.5	39%	0.392	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	159.9	176.2	0	0	0	0	0	111.1	K106 F107	K106-G115 WeakPolarHBondContact CA-O 3.4Å; K106-G115 WeakPolarHBondContact CG-O 3.45Å; F107-G115 PolarHBondContact N-O 3.31Å; F107-G115 PolarHBondContact O-N 3.44Å; F107-G115 VanDerWaalsContact O-O 3.12Å
116	V	97.4	Very high	96.1	Very high	93 Å²	93	70.9 Å²	70.9	56%	0.564	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	149.4	170.7	-61.8	0	0	0	0	109	D105 G118	D105-V116 CarbonylContact O-C 3.58Å; D105-V116 WeakPolarHBondContact O-CA 3.4Å; V116-G118 PolarHBondContact O-N 2.91Å
117	C	97.1	Very high	96.1	Very high	28 Å²	28	69.5 Å²	69.5	19%	0.189	38%	0.384	C	S	.	.			trans	-64.7	113.5	169.2	-179.9	0	0	0	0	108.7	G104 D105 F107	G104-C117 PolarHBondContact N-O 2.81Å; D105-C117 PolarHBondContact O-N 3.32Å; F107-C117 HydrophobicContact CE2-CB 4.26Å
118	G	96.9	Very high	96	Very high	60 Å²	60	71 Å²	71	62%	0.619	39%	0.391	S	S	*	.			trans	-89.2	-40.7	-178.9	0	0	0	0	0	113.1	V116	V116-G118 PolarHBondContact O-N 2.91Å
119	L	96.7	Very high	95.9	Very high	130 Å²	130	71 Å²	71	68%	0.681	39%	0.39	S	S	*	.			trans	-147.2	143.1	-178.7	-176.8	64	0	0	0	109.1	V121	L119-V121 HydrophobicContact CB-CG2 4.48Å; L119-V121 HydrophobicContact CD2-CG2 3.47Å; L119-V121 VanDerWaalsContact CD2-CG2 3.47Å; L119-V121 HydrophobicContact CG-CG2 3.61Å
120	I	96.9	Very high	95.7	Very high	100 Å²	100	77.2 Å²	77.2	51%	0.513	42%	0.423	S	S	.	.			trans	-110.1	120	168.7	-59.9	174.8	0	0	0	105.8	I103	I103-I120 HydrophobicContact CG1-CD1 4.26Å; I103-I120 HydrophobicContact CG1-CG1 4.23Å
121	V	96.4	Very high	95.5	Very high	53 Å²	53	72.7 Å²	72.7	32%	0.321	42%	0.417	S	S	.	.			trans	-112.2	144.7	-174.2	-176.7	0	0	0	0	108.5	L119 D125 M126	L119-V121 HydrophobicContact CB-CG2 4.48Å; L119-V121 HydrophobicContact CD2-CG2 3.47Å; L119-V121 VanDerWaalsContact CD2-CG2 3.47Å; L119-V121 HydrophobicContact CG-CG2 3.61Å; V121-D125 HydrophobicContact CG1-CB 3.57Å; V121-M126 HydrophobicContact CB-CE 4.23Å
122	P	96.8	Very high	95.3	Very high	62 Å²	62	72.1 Å²	72.1	40%	0.403	43%	0.429	S	S	.	.			trans	-55.4	157.4	169	-23.3	34.3	0	0	0	112.4	E124	P122-E124 VanDerWaalsContact C-N 3.31Å; P122-E124 HydrophobicContact CB-CG 4.04Å; P122-E124 WeakPolarHBondContact CB-OE2 3.33Å; P122-E124 PolarHBondContact O-N 3.14Å
123	Q	96	Very high	95.4	Very high	145 Å²	145	73.5 Å²	73.5	68%	0.678	42%	0.424	S	S	*	.	S	Bend	trans	-69.5	-31.9	-178.2	-175.6	175.8	-12.1	0	0	111.7	D125 M126	Q123-D125 VanDerWaalsContact C-N 3.29Å; Q123-D125 PolarHBondContact O-N 2.88Å; Q123-M126 WeakPolarHBondContact O-CB 3.42Å; Q123-M126 PolarHBondContact O-N 2.9Å
124	E	95.5	Very high	95.5	Very high	137 Å²	137	74.6 Å²	74.6	64%	0.64	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.6	179.8	56.8	-96	-146.4	0	0	114.1	P122 M126 G202	P122-E124 VanDerWaalsContact C-N 3.31Å; P122-E124 HydrophobicContact CB-CG 4.04Å; P122-E124 WeakPolarHBondContact CB-OE2 3.33Å; P122-E124 PolarHBondContact O-N 3.14Å; E124-M126 VanDerWaalsContact C-N 3.32Å; E124-G202 CarbonylContact O-C 3.57Å; E124-G202 WeakPolarHBondContact O-CA 3.25Å
125	D	96.6	Very high	95.6	Very high	67 Å²	67	68.9 Å²	68.9	36%	0.358	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13	-179.6	-63.9	-29.4	0	0	0	112.3	V121 Q123 I203	V121-D125 HydrophobicContact CG1-CB 3.57Å; Q123-D125 VanDerWaalsContact C-N 3.29Å; Q123-D125 PolarHBondContact O-N 2.88Å; D125-I203 HydrophobicContact CB-CG1 4.04Å
126	M	97.1	Very high	95.6	Very high	32 Å²	32	74.7 Å²	74.7	16%	0.158	43%	0.432	C	S	.	.	S	Bend	trans	-70.7	141.2	179.8	-72.9	-67.7	-164.7	0	0	110.8	V121 Q123 E124 C134 I138	V121-M126 HydrophobicContact CB-CE 4.23Å; Q123-M126 WeakPolarHBondContact O-CB 3.42Å; Q123-M126 PolarHBondContact O-N 2.9Å; E124-M126 VanDerWaalsContact C-N 3.32Å; M126-C134 HydrophobicContact CB-CB 4.38Å; M126-I138 HydrophobicContact SD-CD1 3.7Å; M126-I138 HydrophobicContact SD-CG1 4.34Å
127	P	97.1	Very high	95.5	Very high	29 Å²	29	74.6 Å²	74.6	19%	0.188	43%	0.427	C	S	.	.			trans	-69.7	142.7	176	34.4	-37.7	0	0	0	109.7	P135 I138 V199 T200 L208	P127-P135 HydrophobicContact CG-CG 4.27Å; P127-P135 WeakPolarHBondContact O-CD 3.08Å; P127-I138 HydrophobicContact CG-CD1 4.22Å; P127-V199 HydrophobicContact CB-CG1 3.62Å; P127-V199 HydrophobicContact CG-CG1 4.42Å; P127-T200 CarbonylContact C-O 3.41Å; P127-T200 WeakPolarHBondContact CA-O 3.43Å; P127-T200 WeakPolarHBondContact CB-O 3.28Å; P127-L208 HydrophobicContact CB-CD1 4.43Å
128	F	96.4	Very high	95.5	Very high	75 Å²	75	78.6 Å²	78.6	33%	0.329	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.7	-174.5	62.6	-87.6	0	0	0	111.2	I133 V199 T200	F128-I133 WeakPolarHBondContact CA-O 3.46Å; F128-V199 VanDerWaalsContact O-CG1 3.26Å; F128-V199 WeakPolarHBondContact O-CG1 2.96Å; F128-T200 HydrophobicContact CE1-CG2 4.01Å; F128-T200 HydrophobicContact CE2-CG2 4.26Å; F128-T200 HydrophobicContact CZ-CG2 3.64Å; F128-T200 PolarHBondContact N-O 2.72Å; F128-T200 PolarHBondContact O-N 3.19Å
129	C	93.8	Very high	95.4	Very high	7 Å²	7	78.6 Å²	78.6	5%	0.047	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	171.7	175.1	70.2	0	0	0	0	111.8	S131 G132 I133	C129-S131 PolarHBondContact O-N 3.21Å; C129-S131 PolarHBondContact SG-OG 3.43Å; C129-G132 WeakPolarHBondContact O-CA 3.47Å; C129-G132 PolarHBondContact O-N 3.46Å; C129-I133 PolarHBondContact N-O 3.49Å; C129-I133 VanDerWaalsContact N-O 3.13Å; C129-I133 WeakPolarHBondContact SG-CB 3.46Å; C129-I133 PolarHBondContact SG-N 3.23Å
130	D	91.1	Very high	95.3	Very high	133 Å²	133	77 Å²	77	71%	0.711	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.3	-178.7	-58.6	-21.8	0	0	0	114	G132	D130-G132 VanDerWaalsContact C-N 3.26Å
131	S	90.8	Very high	95.2	Very high	74 Å²	74	76.4 Å²	76.4	52%	0.517	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	2.8	173.4	57.6	0	0	0	0	113.9	C129 I133	C129-S131 PolarHBondContact O-N 3.21Å; C129-S131 PolarHBondContact SG-OG 3.43Å; S131-I133 WeakPolarHBondContact OG-CD1 3.33Å; S131-I133 WeakPolarHBondContact OG-CG1 3.46Å
132	G	92.3	Very high	95.2	Very high	51 Å²	51	81 Å²	81	53%	0.526	44%	0.442	S	S	.	.			trans	79.5	11.5	179.8	0	0	0	0	0	114.7	C129 D130 C134	C129-G132 WeakPolarHBondContact O-CA 3.47Å; C129-G132 PolarHBondContact O-N 3.46Å; D130-G132 VanDerWaalsContact C-N 3.26Å; G132-C134 PolarHBondContact O-N 2.67Å
133	I	94.4	Very high	95	Very high	78 Å²	78	78.9 Å²	78.9	40%	0.4	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-79	122.8	-179.4	-49.9	170.7	0	0	0	109.5	F128 C129 S131 F214	F128-I133 WeakPolarHBondContact CA-O 3.46Å; C129-I133 PolarHBondContact N-O 3.49Å; C129-I133 VanDerWaalsContact N-O 3.13Å; C129-I133 WeakPolarHBondContact SG-CB 3.46Å; C129-I133 PolarHBondContact SG-N 3.23Å; S131-I133 WeakPolarHBondContact OG-CD1 3.33Å; S131-I133 WeakPolarHBondContact OG-CG1 3.46Å; I133-F214 HydrophobicContact CB-CE1 4.31Å; I133-F214 HydrophobicContact CB-CZ 4.37Å; I133-F214 HydrophobicContact CG2-CE1 3.88Å; I133-F214 HydrophobicContact CG2-CZ 3.53Å
134	C	96.1	Very high	94.9	Very high	34 Å²	34	74.2 Å²	74.2	23%	0.23	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-100	143.8	171.5	-55.8	0	0	0	0	110.2	M126 G132	M126-C134 HydrophobicContact CB-CB 4.38Å; G132-C134 PolarHBondContact O-N 2.67Å
135	P	96.1	Very high	94.8	Very high	21 Å²	21	72.8 Å²	72.8	14%	0.136	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-74.7	140.4	176.4	30.5	-34.4	0	0	0	112.4	P127 I138 F214	P127-P135 HydrophobicContact CG-CG 4.27Å; P127-P135 WeakPolarHBondContact O-CD 3.08Å; P135-I138 HydrophobicContact CB-CG1 4.44Å; P135-I138 HydrophobicContact CG-CD1 4.34Å; P135-I138 HydrophobicContact CG-CG1 4.03Å; P135-F214 HydrophobicContact CB-CD2 4.19Å; P135-F214 HydrophobicContact CB-CE2 3.84Å
136	D	96.2	Very high	94.5	Very high	160 Å²	160	74.1 Å²	74.1	86%	0.856	43%	0.427	S	S	*	.	S	Bend	trans	-74.8	-37	171.3	-61.6	-42.2	0	0	0	112.5
137	I	96.3	Very high	94.3	Very high	91 Å²	91	79.1 Å²	79.1	47%	0.467	44%	0.444	S	S	.	.			trans	-138.6	124	-176	-58.5	177	0	0	0	109.2	Y219	I137-Y219 HydrophobicContact CD1-CD1 4.21Å; I137-Y219 HydrophobicContact CD1-CG 4.15Å
138	I	96.3	Very high	94.1	Very high	111 Å²	111	85.2 Å²	85.2	57%	0.569	47%	0.472	S	S	*	.			trans	-93.8	125.9	170.3	-61.4	177.2	0	0	0	109.1	M126 P127 P135	M126-I138 HydrophobicContact SD-CD1 3.7Å; M126-I138 HydrophobicContact SD-CG1 4.34Å; P127-I138 HydrophobicContact CG-CD1 4.22Å; P135-I138 HydrophobicContact CB-CG1 4.44Å; P135-I138 HydrophobicContact CG-CD1 4.34Å; P135-I138 HydrophobicContact CG-CG1 4.03Å
139	M	95.1	Very high	94	Very high	60 Å²	60	82.9 Å²	82.9	30%	0.296	46%	0.464	S	S	.	.			trans	-107.5	135.5	177	-174.9	-167.4	163.9	0	0	111.1	Q113 F144 K152	Q113-M139 PolarHBondContact OE1-SD 3.4Å; M139-F144 HydrophobicContact CE-CD2 4.26Å; M139-F144 HydrophobicContact CE-CE2 3.81Å; M139-F144 HydrophobicContact CE-CZ 4.15Å; M139-F144 HydrophobicContact SD-CE2 3.76Å; M139-F144 HydrophobicContact SD-CZ 3.85Å; M139-K152 PolarHBondContact SD-NZ 2.8Å
140	N	95.1	Very high	94	Very high	97 Å²	97	86.7 Å²	86.7	52%	0.519	49%	0.487	S	S	.	.			trans	-63.7	125	173.6	-175.9	-11.1	0	0	0	112.1	H142 G143	N140-H142 VanDerWaalsContact C-N 3.26Å; N140-H142 PolarHBondContact O-N 3.17Å; N140-H142 WeakPolarHBondContact OD1-CB 3.36Å; N140-H142 PolarHBondContact OD1-CD2 2.95Å; N140-H142 PolarHBondContact OD1-N 2.66Å; N140-G143 PolarHBondContact O-N 3.41Å
141	P	95	Very high	94.2	Very high	88 Å²	88	81.9 Å²	81.9	57%	0.571	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.9	178.9	26.5	-36	0	0	0	114.3	G143 F144 P145	P141-G143 PolarHBondContact O-N 2.98Å; P141-F144 PolarHBondContact O-N 3.11Å; P141-F144 VanDerWaalsContact O-N 3.1Å; P141-P145 WeakPolarHBondContact O-CD 3.35Å
142	H	95.2	Very high	94.4	Very high	148 Å²	148	78.7 Å²	78.7	69%	0.685	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18	179.9	-68.5	-66.4	0	0	0	113.8	N140 F144	N140-H142 VanDerWaalsContact C-N 3.26Å; N140-H142 PolarHBondContact O-N 3.17Å; N140-H142 WeakPolarHBondContact OD1-CB 3.36Å; N140-H142 PolarHBondContact OD1-CD2 2.95Å; N140-H142 PolarHBondContact OD1-N 2.66Å; H142-F144 VanDerWaalsContact C-N 3.29Å; H142-F144 PolarHBondContact O-N 2.94Å
143	G	92.1	Very high	94.5	Very high	19 Å²	19	78.9 Å²	78.9	20%	0.196	43%	0.434	C	S	.	.	H	α-helix	trans	-72.6	-15.8	176.6	0	0	0	0	0	114.9	N140 P141 R147	N140-G143 PolarHBondContact O-N 3.41Å; P141-G143 PolarHBondContact O-N 2.98Å; G143-R147 WeakPolarHBondContact O-CB 3.4Å; G143-R147 WeakPolarHBondContact O-CG 3.45Å
144	F	93.6	Very high	94.6	Very high	47 Å²	47	78.7 Å²	78.7	21%	0.206	43%	0.433	C	S	.	.	H	α-helix	trans	-82.7	-50.9	-176.2	-70.1	-86.6	0	0	0	113.9	M139 P141 H142 S146 R147 M148 K152 L153	M139-F144 HydrophobicContact CE-CD2 4.26Å; M139-F144 HydrophobicContact CE-CE2 3.81Å; M139-F144 HydrophobicContact CE-CZ 4.15Å; M139-F144 HydrophobicContact SD-CE2 3.76Å; M139-F144 HydrophobicContact SD-CZ 3.85Å; P141-F144 PolarHBondContact O-N 3.11Å; P141-F144 VanDerWaalsContact O-N 3.1Å; H142-F144 VanDerWaalsContact C-N 3.29Å; H142-F144 PolarHBondContact O-N 2.94Å; F144-S146 PolarHBondContact O-N 3.13Å; F144-R147 PolarHBondContact O-N 2.84Å; F144-M148 PolarHBondContact O-N 2.87Å; F144-K152 HydrophobicContact CE1-CB 4.17Å; F144-K152 HydrophobicContact CE1-CD 4.04Å; F144-K152 HydrophobicContact CE1-CG 4.33Å; F144-K152 HydrophobicContact CZ-CD 4.13Å; F144-L153 HydrophobicContact CD1-CD1 4.35Å; F144-L153 HydrophobicContact CD1-CD2 3.81Å; F144-L153 HydrophobicContact CD1-CG 4.02Å; F144-L153 HydrophobicContact CE1-CD2 3.43Å; F144-L153 VanDerWaalsContact CE1-CD2 3.43Å; F144-L153 HydrophobicContact CE1-CG 3.87Å; F144-L153 HydrophobicContact CZ-CD2 3.84Å
145	P	93.9	Very high	94.6	Very high	106 Å²	106	79.2 Å²	79.2	69%	0.688	43%	0.432	S	S	*	.	H	α-helix	trans	-62	-42.3	-175.3	-24.3	35.3	0	0	0	112.8	P141	P141-P145 WeakPolarHBondContact O-CD 3.35Å
146	S	91.4	Very high	94.6	Very high	96 Å²	96	79 Å²	79	67%	0.671	43%	0.43	S	S	*	.	H	α-helix	trans	-75	-28.1	-175.1	83.4	0	0	0	0	113.6	F144	F144-S146 PolarHBondContact O-N 3.13Å
147	R	91.6	Very high	94.5	Very high	136 Å²	136	72.2 Å²	72.2	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-101.3	-10.9	-175	-59.1	-170.9	-179.2	-161.8	3.4	113.6	G143 F144 T149	G143-R147 WeakPolarHBondContact O-CB 3.4Å; G143-R147 WeakPolarHBondContact O-CG 3.45Å; F144-R147 PolarHBondContact O-N 2.84Å; R147-T149 HydrophobicContact CB-CG2 4.02Å; R147-T149 PolarHBondContact O-N 3.35Å; R147-T149 VanDerWaalsContact O-N 3.11Å
148	M	94.4	Very high	94.5	Very high	158 Å²	158	68.8 Å²	68.8	78%	0.778	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	30.9	177.4	-54.2	-179.7	73.6	0	0	113.8	F144 V150	F144-M148 PolarHBondContact O-N 2.87Å; M148-V150 VanDerWaalsContact C-N 3.28Å; M148-V150 PolarHBondContact O-N 3.43Å
149	T	93.9	Very high	94.5	Very high	25 Å²	25	64.8 Å²	64.8	15%	0.153	37%	0.365	C	S	.	.			trans	-83.8	66.3	-178.4	54	0	0	0	0	111.6	H111 Q113 R147 G151 K152	H111-T149 HydrophobicContact CB-CG2 4.5Å; Q113-T149 HydrophobicContact CG-CG2 4.46Å; Q113-T149 PolarHBondContact NE2-OG1 3.26Å; R147-T149 HydrophobicContact CB-CG2 4.02Å; R147-T149 PolarHBondContact O-N 3.35Å; R147-T149 VanDerWaalsContact O-N 3.11Å; T149-G151 VanDerWaalsContact C-N 3.27Å; T149-G151 PolarHBondContact O-N 3.15Å; T149-K152 PolarHBondContact O-N 2.87Å
150	V	93.7	Very high	94.5	Very high	87 Å²	87	62.6 Å²	62.6	53%	0.527	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-30.3	-178.5	-176.9	0	0	0	0	112	M148 K152 L153 I154	M148-V150 VanDerWaalsContact C-N 3.28Å; M148-V150 PolarHBondContact O-N 3.43Å; V150-K152 PolarHBondContact O-N 3.46Å; V150-K152 VanDerWaalsContact O-N 3.11Å; V150-L153 WeakPolarHBondContact O-CB 3.42Å; V150-L153 PolarHBondContact O-N 3.13Å; V150-I154 HydrophobicContact CG1-CD1 4.28Å; V150-I154 PolarHBondContact O-N 2.96Å
151	G	94.4	Very high	94.6	Very high	33 Å²	33	58 Å²	58	34%	0.34	33%	0.329	S	S	.	.	H	α-helix	trans	-56.9	-29.1	178.4	0	0	0	0	0	113.9	T149 I154 E155	T149-G151 VanDerWaalsContact C-N 3.27Å; T149-G151 PolarHBondContact O-N 3.15Å; G151-I154 PolarHBondContact O-N 2.86Å; G151-E155 WeakPolarHBondContact O-CB 3.14Å; G151-E155 PolarHBondContact O-N 3.05Å
152	K	95.7	Very high	94.6	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-69.5	-34.8	175.6	-169.8	178.1	-174.3	-170.2	0	112.8	H111 Q113 M139 F144 T149 V150 L156 V217 Y219	H111-K152 HydrophobicContact CB-CB 4.28Å; H111-K152 VanDerWaalsContact CD2-CB 3.44Å; H111-K152 WeakPolarHBondContact CD2-CB 3.19Å; H111-K152 PolarHBondContact CE1-N 2.81Å; H111-K152 WeakPolarHBondContact NE2-CA 3.4Å; Q113-K152 VanDerWaalsContact OE1-CD 3.24Å; M139-K152 PolarHBondContact SD-NZ 2.8Å; F144-K152 HydrophobicContact CE1-CB 4.17Å; F144-K152 HydrophobicContact CE1-CD 4.04Å; F144-K152 HydrophobicContact CE1-CG 4.33Å; F144-K152 HydrophobicContact CZ-CD 4.13Å; T149-K152 PolarHBondContact O-N 2.87Å; V150-K152 PolarHBondContact O-N 3.46Å; V150-K152 VanDerWaalsContact O-N 3.11Å; K152-L156 PolarHBondContact O-N 2.83Å; K152-L156 VanDerWaalsContact O-N 3.15Å; K152-V217 HydrophobicContact CG-CG1 4.4Å; K152-Y219 PolarHBondContact NZ-OH 3.48Å
153	L	94.6	Very high	94.6	Very high	55 Å²	55	52.3 Å²	52.3	29%	0.288	30%	0.304	S	S	.	.	H	α-helix	trans	-67.9	-45.8	174.6	-57.1	174.1	0	0	0	109.2	F144 V150 E155 L156 L157 Y213	F144-L153 HydrophobicContact CD1-CD1 4.35Å; F144-L153 HydrophobicContact CD1-CD2 3.81Å; F144-L153 HydrophobicContact CD1-CG 4.02Å; F144-L153 HydrophobicContact CE1-CD2 3.43Å; F144-L153 VanDerWaalsContact CE1-CD2 3.43Å; F144-L153 HydrophobicContact CE1-CG 3.87Å; F144-L153 HydrophobicContact CZ-CD2 3.84Å; V150-L153 WeakPolarHBondContact O-CB 3.42Å; V150-L153 PolarHBondContact O-N 3.13Å; L153-E155 VanDerWaalsContact C-N 3.3Å; L153-E155 PolarHBondContact O-N 2.9Å; L153-L156 PolarHBondContact O-N 2.96Å; L153-L156 VanDerWaalsContact O-N 3.15Å; L153-L157 PolarHBondContact O-N 2.94Å; L153-L157 VanDerWaalsContact O-N 3.15Å; L153-Y213 WeakPolarHBondContact CA-OH 3.32Å; L153-Y213 HydrophobicContact CB-CE1 4.35Å; L153-Y213 HydrophobicContact CD2-CD1 4.01Å; L153-Y213 HydrophobicContact CD2-CE1 3.49Å; L153-Y213 VanDerWaalsContact CD2-CE1 3.49Å; L153-Y213 PolarHBondContact O-OH 2.84Å
154	I	95.3	Very high	94.7	Very high	74 Å²	74	54.1 Å²	54.1	38%	0.379	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-40.5	177.1	-61	170.9	0	0	0	111.4	V150 G151 L156 L157 A158 V179	V150-I154 HydrophobicContact CG1-CD1 4.28Å; V150-I154 PolarHBondContact O-N 2.96Å; G151-I154 PolarHBondContact O-N 2.86Å; I154-L156 VanDerWaalsContact C-N 3.34Å; I154-L156 PolarHBondContact O-N 3.3Å; I154-L157 PolarHBondContact O-N 3.4Å; I154-A158 WeakPolarHBondContact O-CB 3.34Å; I154-A158 PolarHBondContact O-N 3.11Å; I154-V179 HydrophobicContact CD1-CG2 4.21Å; I154-V179 HydrophobicContact CG1-CG2 4.14Å; I154-V179 HydrophobicContact CG2-CG2 3.94Å
155	E	96.2	Very high	94.7	Very high	45 Å²	45	54.2 Å²	54.2	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-42.7	175.1	-177.4	-177.5	-165.7	0	0	112.1	H111 G151 L153 A158 G159	H111-E155 IonicContact CD2-OE2 2.8Å; H111-E155 PolarHBondContact CD2-OE2 3.21Å; H111-E155 VanDerWaalsContact CD2-OE2 3.23Å; H111-E155 IonicContact CE1-OE2 3.23Å; H111-E155 IonicContact NE2-OE2 3.89Å; H111-E155 PolarHBondContact NE2-OE2 2.9Å; G151-E155 WeakPolarHBondContact O-CB 3.14Å; G151-E155 PolarHBondContact O-N 3.05Å; L153-E155 VanDerWaalsContact C-N 3.3Å; L153-E155 PolarHBondContact O-N 2.9Å; E155-A158 PolarHBondContact O-N 2.86Å; E155-G159 PolarHBondContact O-N 3.22Å
156	L	96.1	Very high	94.7	Very high	16 Å²	16	52.7 Å²	52.7	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-43.1	179.3	-175.6	154.9	0	0	0	111.8	K152 L153 I154 K160 Y213 V217	K152-L156 PolarHBondContact O-N 2.83Å; K152-L156 VanDerWaalsContact O-N 3.15Å; L153-L156 PolarHBondContact O-N 2.96Å; L153-L156 VanDerWaalsContact O-N 3.15Å; I154-L156 VanDerWaalsContact C-N 3.34Å; I154-L156 PolarHBondContact O-N 3.3Å; L156-K160 WeakPolarHBondContact O-CB 3.25Å; L156-K160 PolarHBondContact O-N 3.42Å; L156-Y213 HydrophobicContact CB-CE1 4.02Å; L156-Y213 HydrophobicContact CD1-CD1 3.92Å; L156-Y213 HydrophobicContact CD1-CE1 3.62Å; L156-Y213 HydrophobicContact CD2-CD1 4.32Å; L156-Y213 HydrophobicContact CD2-CD2 4.48Å; L156-Y213 HydrophobicContact CD2-CE1 3.73Å; L156-Y213 HydrophobicContact CD2-CE2 3.9Å; L156-Y213 HydrophobicContact CG-CE1 3.98Å; L156-V217 HydrophobicContact CB-CG2 3.75Å; L156-V217 HydrophobicContact CD1-CG2 3.76Å; L156-V217 HydrophobicContact CG-CG2 3.96Å
157	L	95.6	Very high	94.8	Very high	18 Å²	18	54 Å²	54	9%	0.094	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-51	175.8	-75.9	169.4	0	0	0	111.7	L153 I154 G159 K160 A161 V179 V182 L186 Y213	L153-L157 PolarHBondContact O-N 2.94Å; L153-L157 VanDerWaalsContact O-N 3.15Å; I154-L157 PolarHBondContact O-N 3.4Å; L157-G159 VanDerWaalsContact C-N 3.31Å; L157-G159 PolarHBondContact O-N 2.75Å; L157-K160 PolarHBondContact O-N 3.39Å; L157-A161 PolarHBondContact O-N 2.78Å; L157-V179 HydrophobicContact CD1-CG1 4.4Å; L157-V182 HydrophobicContact CB-CG1 3.99Å; L157-L186 HydrophobicContact CD2-CD1 3.64Å; L157-Y213 HydrophobicContact CD2-CE2 4.23Å; L157-Y213 HydrophobicContact CG-CE2 4.35Å; L157-Y213 WeakPolarHBondContact CG-OH 3.39Å
158	A	95.7	Very high	94.9	Very high	19 Å²	19	56.6 Å²	56.6	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-37.4	-179.3	0	0	0	0	0	111.6	I154 E155 G162 H169 V182	I154-A158 WeakPolarHBondContact O-CB 3.34Å; I154-A158 PolarHBondContact O-N 3.11Å; E155-A158 PolarHBondContact O-N 2.86Å; A158-G162 PolarHBondContact O-N 3.09Å; A158-H169 HydrophobicContact CB-CB 4.03Å; A158-H169 PolarHBondContact O-CD2 3.4Å; A158-V182 HydrophobicContact CB-CG1 4.45Å; A158-V182 HydrophobicContact CB-CG2 4.36Å
159	G	95.9	Very high	94.9	Very high	26 Å²	26	50.8 Å²	50.8	27%	0.268	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-44.7	174.4	0	0	0	0	0	111.7	E155 L157 G162 V163 P216	E155-G159 PolarHBondContact O-N 3.22Å; L157-G159 VanDerWaalsContact C-N 3.31Å; L157-G159 PolarHBondContact O-N 2.75Å; G159-G162 PolarHBondContact O-N 3.11Å; G159-V163 WeakPolarHBondContact O-CG2 3.49Å; G159-V163 PolarHBondContact O-N 2.93Å; G159-V163 VanDerWaalsContact O-N 3.11Å; G159-P216 VanDerWaalsContact C-CG 3.49Å
160	K	95.6	Very high	95	Very high	15 Å²	15	57.8 Å²	57.8	7%	0.065	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-50.3	178.4	-167.1	175.6	-171.4	168	0	112	L156 L157 G162 V163 L164 L186 D197 F214	L156-K160 WeakPolarHBondContact O-CB 3.25Å; L156-K160 PolarHBondContact O-N 3.42Å; L157-K160 PolarHBondContact O-N 3.39Å; K160-G162 VanDerWaalsContact C-N 3.32Å; K160-G162 PolarHBondContact O-N 3.01Å; K160-V163 PolarHBondContact O-N 3.34Å; K160-L164 HydrophobicContact CG-CD1 4.47Å; K160-L164 WeakPolarHBondContact O-CG 3.12Å; K160-L164 PolarHBondContact O-N 3.13Å; K160-L186 HydrophobicContact CB-CD2 4.17Å; K160-L186 HydrophobicContact CD-CD2 4.05Å; K160-L186 HydrophobicContact CG-CD2 3.89Å; K160-D197 IonicContact NZ-OD1 2.67Å; K160-D197 PolarHBondContact NZ-OD1 2.78Å; K160-D197 IonicContact NZ-OD2 2.91Å; K160-D197 PolarHBondContact NZ-OD2 2.91Å; K160-F214 PolarHBondContact NZ-O 3.33Å; K160-F214 VanDerWaalsContact NZ-O 3.14Å
161	A	95.9	Very high	94.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-42.5	177.2	0	0	0	0	0	111.8	L157 V163 L164 D165 V182 D185 L186	L157-A161 PolarHBondContact O-N 2.78Å; A161-V163 PolarHBondContact O-N 3.02Å; A161-L164 PolarHBondContact O-N 3.31Å; A161-L164 VanDerWaalsContact O-N 3.17Å; A161-D165 PolarHBondContact O-N 3.49Å; A161-V182 HydrophobicContact CB-CG1 3.74Å; A161-D185 HydrophobicContact CB-CB 4.29Å; A161-L186 HydrophobicContact CB-CD2 4.14Å; A161-L186 HydrophobicContact CB-CG 4.05Å
162	G	95.4	Very high	95	Very high	7 Å²	7	60.5 Å²	60.5	7%	0.072	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-37.5	-178.6	0	0	0	0	0	113.9	A158 G159 K160 L164 G166 R167 H169	A158-G162 PolarHBondContact O-N 3.09Å; G159-G162 PolarHBondContact O-N 3.11Å; K160-G162 VanDerWaalsContact C-N 3.32Å; K160-G162 PolarHBondContact O-N 3.01Å; G162-L164 VanDerWaalsContact C-N 3.32Å; G162-G166 WeakPolarHBondContact O-CA 2.82Å; G162-G166 PolarHBondContact O-N 3.11Å; G162-R167 CarbonylContact C-O 3.29Å; G162-R167 VanDerWaalsContact C-O 3.29Å; G162-R167 WeakPolarHBondContact CA-O 3.33Å; G162-R167 PolarHBondContact O-N 2.77Å; G162-H169 WeakPolarHBondContact CA-CD2 3.41Å; G162-H169 PolarHBondContact N-CD2 2.83Å
163	V	95.6	Very high	94.9	Very high	110 Å²	110	63.9 Å²	63.9	67%	0.667	37%	0.373	S	S	*	.	H	α-helix	trans	-65.8	-37.2	175	171.7	0	0	0	0	111.2	G159 K160 A161 P216	G159-V163 WeakPolarHBondContact O-CG2 3.49Å; G159-V163 PolarHBondContact O-N 2.93Å; G159-V163 VanDerWaalsContact O-N 3.11Å; K160-V163 PolarHBondContact O-N 3.34Å; A161-V163 PolarHBondContact O-N 3.02Å; V163-P216 HydrophobicContact CG2-CG 4.34Å
164	L	94	Very high	94.8	Very high	56 Å²	56	72.1 Å²	72.1	29%	0.293	41%	0.406	S	S	.	.	H	α-helix	trans	-72.3	-45.1	179	-65.5	167.6	0	0	0	112.2	K160 A161 G162 G166 L186 H189 Y191	K160-L164 HydrophobicContact CG-CD1 4.47Å; K160-L164 WeakPolarHBondContact O-CG 3.12Å; K160-L164 PolarHBondContact O-N 3.13Å; A161-L164 PolarHBondContact O-N 3.31Å; A161-L164 VanDerWaalsContact O-N 3.17Å; G162-L164 VanDerWaalsContact C-N 3.32Å; L164-G166 PolarHBondContact O-N 2.82Å; L164-L186 HydrophobicContact CD1-CD2 3.93Å; L164-H189 HydrophobicContact CB-CB 4.45Å; L164-H189 HydrophobicContact CD1-CB 4.02Å; L164-Y191 HydrophobicContact CD1-CD2 3.41Å; L164-Y191 VanDerWaalsContact CD1-CD2 3.41Å; L164-Y191 HydrophobicContact CD1-CE2 3.49Å; L164-Y191 VanDerWaalsContact CD1-CE2 3.49Å; L164-Y191 HydrophobicContact CD1-CG 4.23Å; L164-Y191 HydrophobicContact CD2-CD2 4.37Å; L164-Y191 HydrophobicContact CD2-CE2 3.59Å; L164-Y191 HydrophobicContact CG-CE2 4.2Å
165	D	94	Very high	94.7	Very high	50 Å²	50	70.9 Å²	70.9	27%	0.267	41%	0.412	S	S	.	.	H	α-helix	trans	-69.7	-17.9	176	-82.3	-10.1	0	0	0	113	A161 R167 H189	A161-D165 PolarHBondContact O-N 3.49Å; D165-R167 VanDerWaalsContact C-N 3.33Å; D165-R167 HydrophobicContact CB-CG 3.76Å; D165-R167 IonicContact OD2-CZ 3.77Å; D165-R167 VanDerWaalsContact OD2-CZ 3.3Å; D165-R167 IonicContact OD2-NE 3.79Å; D165-R167 PolarHBondContact OD2-NE 2.97Å; D165-R167 IonicContact OD2-NH2 3.89Å; D165-R167 PolarHBondContact OD2-NH2 3.24Å; D165-H189 IonicContact OD1-CE1 3.27Å; D165-H189 PolarHBondContact OD1-CE1 3.49Å; D165-H189 IonicContact OD1-ND1 3.65Å; D165-H189 IonicContact OD1-NE2 2.8Å
166	G	94.5	Very high	94.5	Very high	73 Å²	73	70.6 Å²	70.6	75%	0.753	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	24.4	-171.6	0	0	0	0	0	113.9	G162 L164	G162-G166 WeakPolarHBondContact O-CA 2.82Å; G162-G166 PolarHBondContact O-N 3.11Å; L164-G166 PolarHBondContact O-N 2.82Å
167	R	93.2	Very high	94.3	Very high	123 Å²	123	71.9 Å²	71.9	46%	0.464	43%	0.432	S	S	.	.	S	Bend	trans	-130.2	149.5	-180	73	-172.3	173.2	144.9	-2.6	112.4	G162 D165 H169 D185	G162-R167 CarbonylContact C-O 3.29Å; G162-R167 VanDerWaalsContact C-O 3.29Å; G162-R167 WeakPolarHBondContact CA-O 3.33Å; G162-R167 PolarHBondContact O-N 2.77Å; D165-R167 VanDerWaalsContact C-N 3.33Å; D165-R167 HydrophobicContact CB-CG 3.76Å; D165-R167 IonicContact OD2-CZ 3.77Å; D165-R167 VanDerWaalsContact OD2-CZ 3.3Å; D165-R167 IonicContact OD2-NE 3.79Å; D165-R167 PolarHBondContact OD2-NE 2.97Å; D165-R167 IonicContact OD2-NH2 3.89Å; D165-R167 PolarHBondContact OD2-NH2 3.24Å; R167-H169 PolarHBondContact NH2-CE1 2.97Å; R167-D185 IonicContact CZ-OD2 3.46Å; R167-D185 IonicContact NH2-OD1 2.99Å; R167-D185 IonicContact NH2-OD2 3.7Å; R167-D185 PolarHBondContact NH2-OD2 3.03Å
168	F	94.1	Very high	94.3	Very high	192 Å²	192	78 Å²	78	84%	0.842	46%	0.458	S	S	*	.			trans	-81.9	124.9	173.1	-63.6	-70.7	0	0	0	111
169	H	93.6	Very high	94.2	Very high	35 Å²	35	80 Å²	80	16%	0.162	47%	0.468	C	S	.	.			trans	-80.8	152.4	167.1	-73.5	-81.2	0	0	0	111.5	A158 G162 R167 S177 D185	A158-H169 HydrophobicContact CB-CB 4.03Å; A158-H169 PolarHBondContact O-CD2 3.4Å; G162-H169 WeakPolarHBondContact CA-CD2 3.41Å; G162-H169 PolarHBondContact N-CD2 2.83Å; R167-H169 PolarHBondContact NH2-CE1 2.97Å; H169-S177 WeakPolarHBondContact ND1-CB 3.49Å; H169-S177 PolarHBondContact ND1-OG 2.79Å; H169-D185 IonicContact CE1-OD2 2.68Å
170	Y	95.1	Very high	94.1	Very high	172 Å²	172	86.6 Å²	86.6	68%	0.675	49%	0.489	S	S	*	.			trans	-107	127.2	-179.5	-67.3	-82.4	0	0	0	110.8	G176 S177	Y170-G176 CarbonylContact O-C 3.54Å; Y170-G176 WeakPolarHBondContact O-CA 3.37Å; Y170-S177 PolarHBondContact O-N 3.41Å
171	G	93.3	Very high	94	Very high	84 Å²	84	89.5 Å²	89.5	87%	0.866	51%	0.505	S	S	*	.			trans	-110.5	46.2	173.4	0	0	0	0	0	112.6
172	T	95.6	Very high	93.9	Very high	94 Å²	94	89.7 Å²	89.7	58%	0.577	51%	0.506	S	S	*	.			trans	-69.2	152.5	178.9	-170.3	0	0	0	0	111.5	F174 G175	T172-F174 PolarHBondContact O-N 3.28Å; T172-G175 CarbonylContact O-C 3.51Å; T172-G175 PolarHBondContact O-N 3.07Å; T172-G175 VanDerWaalsContact O-O 3.1Å
173	A	94	Very high	93.9	Very high	78 Å²	78	90.6 Å²	90.6	65%	0.645	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	137.5	176.5	0	0	0	0	0	110.9	G175	A173-G175 PolarHBondContact O-N 3.4Å
174	F	93.1	Very high	93.8	Very high	227 Å²	227	90.6 Å²	90.6	100%	0.996	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	15.2	179.8	-49.8	-73.8	0	0	0	115.7	T172	T172-F174 PolarHBondContact O-N 3.28Å
175	G	92	Very high	93.8	Very high	49 Å²	49	88.1 Å²	88.1	51%	0.505	49%	0.491	S	S	.	.			trans	-159.4	-149.9	179.7	0	0	0	0	0	111.9	T172 A173	T172-G175 CarbonylContact O-C 3.51Å; T172-G175 PolarHBondContact O-N 3.07Å; T172-G175 VanDerWaalsContact O-O 3.1Å; A173-G175 PolarHBondContact O-N 3.4Å
176	G	92.3	Very high	93.9	Very high	38 Å²	38	85.7 Å²	85.7	39%	0.392	48%	0.478	S	S	.	.	S	Bend	trans	90.7	-169.1	-179.9	0	0	0	0	0	113.7	Y170	Y170-G176 CarbonylContact O-C 3.54Å; Y170-G176 WeakPolarHBondContact O-CA 3.37Å
177	S	92.4	Very high	93.9	Very high	44 Å²	44	86.2 Å²	86.2	31%	0.308	47%	0.466	S	S	.	.	S	Bend	trans	-69.4	130	-179.5	-60.3	0	0	0	0	110.5	H169 Y170	H169-S177 WeakPolarHBondContact ND1-CB 3.49Å; H169-S177 PolarHBondContact ND1-OG 2.79Å; Y170-S177 PolarHBondContact O-N 3.41Å
178	K	94.4	Very high	94	Very high	147 Å²	147	88.3 Å²	88.3	64%	0.639	47%	0.474	S	S	*	.			trans	-75.3	144.8	179.2	-62.3	176.5	-178.2	172.9	0	109.8	K180 D181 V182	K178-K180 PolarHBondContact O-N 2.76Å; K178-D181 PolarHBondContact O-N 3.38Å; K178-V182 WeakPolarHBondContact O-CG2 3.41Å; K178-V182 PolarHBondContact O-N 3.47Å
179	V	93.9	Very high	94	Very high	60 Å²	60	83 Å²	83	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-35.6	-179.7	-177.2	0	0	0	0	111.8	I154 L157 V182 C183	I154-V179 HydrophobicContact CD1-CG2 4.21Å; I154-V179 HydrophobicContact CG1-CG2 4.14Å; I154-V179 HydrophobicContact CG2-CG2 3.94Å; L157-V179 HydrophobicContact CD1-CG1 4.4Å; V179-V182 PolarHBondContact O-N 3.36Å; V179-C183 PolarHBondContact O-N 2.76Å; V179-C183 PolarHBondContact O-SG 3.1Å
180	K	94.4	Very high	93.9	Very high	165 Å²	165	84.7 Å²	84.7	72%	0.717	48%	0.479	S	S	*	.	H	α-helix	trans	-60.2	-50.4	178.6	-66.4	-172.2	178.2	-173.4	0	111.6	K178 V182 C183 E184	K178-K180 PolarHBondContact O-N 2.76Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 3.21Å; K180-C183 WeakPolarHBondContact O-CB 3.41Å; K180-C183 PolarHBondContact O-N 3.03Å; K180-C183 VanDerWaalsContact O-N 3.14Å; K180-E184 PolarHBondContact O-N 2.84Å
181	D	93	Very high	93.9	Very high	76 Å²	76	79.6 Å²	79.6	41%	0.406	46%	0.459	S	S	.	.	H	α-helix	trans	-60	-44.4	179.5	-45.8	-9.5	0	0	0	110.4	K178 C183 E184 D185	K178-D181 PolarHBondContact O-N 3.38Å; D181-C183 VanDerWaalsContact C-N 3.34Å; D181-C183 PolarHBondContact O-N 2.85Å; D181-E184 WeakPolarHBondContact O-CB 3.35Å; D181-E184 PolarHBondContact O-N 2.97Å; D181-E184 VanDerWaalsContact O-N 3.17Å; D181-D185 PolarHBondContact O-N 3.04Å
182	V	94.4	Very high	93.9	Very high	4 Å²	4	78.1 Å²	78.1	2%	0.024	43%	0.431	C	S	.	.	H	α-helix	trans	-60.5	-40.8	175.9	171.8	0	0	0	0	112.1	L157 A158 A161 K178 V179 K180 D185 L186	L157-V182 HydrophobicContact CB-CG1 3.99Å; A158-V182 HydrophobicContact CB-CG1 4.45Å; A158-V182 HydrophobicContact CB-CG2 4.36Å; A161-V182 HydrophobicContact CB-CG1 3.74Å; K178-V182 WeakPolarHBondContact O-CG2 3.41Å; K178-V182 PolarHBondContact O-N 3.47Å; V179-V182 PolarHBondContact O-N 3.36Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 3.21Å; V182-D185 PolarHBondContact O-N 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.44Å; V182-L186 PolarHBondContact O-N 3.13Å; V182-L186 VanDerWaalsContact O-N 3.08Å
183	C	94.7	Very high	93.8	Very high	25 Å²	25	80 Å²	80	17%	0.169	43%	0.429	C	S	.	.	H	α-helix	trans	-65.2	-39.2	176	-70.7	0	0	0	0	112	V179 K180 D181 L186 V187 Y193	V179-C183 PolarHBondContact O-N 2.76Å; V179-C183 PolarHBondContact O-SG 3.1Å; K180-C183 WeakPolarHBondContact O-CB 3.41Å; K180-C183 PolarHBondContact O-N 3.03Å; K180-C183 VanDerWaalsContact O-N 3.14Å; D181-C183 VanDerWaalsContact C-N 3.34Å; D181-C183 PolarHBondContact O-N 2.85Å; C183-L186 PolarHBondContact O-N 3.04Å; C183-V187 WeakPolarHBondContact O-CG2 3.3Å; C183-V187 PolarHBondContact O-N 2.94Å; C183-V187 VanDerWaalsContact O-N 3.15Å; C183-Y193 PolarHBondContact SG-O 2.96Å
184	E	94.8	Very high	93.7	Very high	110 Å²	110	79.8 Å²	79.8	51%	0.514	42%	0.417	S	S	.	.	H	α-helix	trans	-65.2	-41.4	175.2	-69.6	174.9	-165.6	0	0	111.5	K180 D181 L186 V187 R188	K180-E184 PolarHBondContact O-N 2.84Å; D181-E184 WeakPolarHBondContact O-CB 3.35Å; D181-E184 PolarHBondContact O-N 2.97Å; D181-E184 VanDerWaalsContact O-N 3.17Å; E184-L186 VanDerWaalsContact C-N 3.32Å; E184-L186 PolarHBondContact O-N 3.42Å; E184-V187 PolarHBondContact O-N 3.1Å; E184-R188 WeakPolarHBondContact O-CG 3.44Å; E184-R188 PolarHBondContact O-N 3.48Å; E184-R188 IonicContact OE2-NH2 3.3Å
185	D	93.8	Very high	93.7	Very high	4 Å²	4	69 Å²	69	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-60.5	-41.1	176.3	-62.3	-30.9	0	0	0	111.3	A161 R167 H169 D181 V182 R188 H189	A161-D185 HydrophobicContact CB-CB 4.29Å; R167-D185 IonicContact CZ-OD2 3.46Å; R167-D185 IonicContact NH2-OD1 2.99Å; R167-D185 IonicContact NH2-OD2 3.7Å; R167-D185 PolarHBondContact NH2-OD2 3.03Å; H169-D185 IonicContact CE1-OD2 2.68Å; D181-D185 PolarHBondContact O-N 3.04Å; V182-D185 PolarHBondContact O-N 3.31Å; D185-R188 PolarHBondContact O-N 2.86Å; D185-R188 IonicContact OD1-CZ 3.96Å; D185-R188 VanDerWaalsContact OD1-CZ 3.27Å; D185-R188 IonicContact OD1-NH1 2.69Å; D185-R188 PolarHBondContact OD1-NH1 3.43Å; D185-R188 IonicContact OD1-NH2 2.61Å; D185-R188 PolarHBondContact OD1-NH2 2.9Å; D185-H189 PolarHBondContact O-N 3.05Å; D185-H189 PolarHBondContact O-ND1 3.46Å
186	L	94.7	Very high	93.8	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61.8	-43.2	173.9	-74.7	171	0	0	0	112.6	L157 K160 A161 L164 V182 C183 E184 R188 H189 G190 Y191	L157-L186 HydrophobicContact CD2-CD1 3.64Å; K160-L186 HydrophobicContact CB-CD2 4.17Å; K160-L186 HydrophobicContact CD-CD2 4.05Å; K160-L186 HydrophobicContact CG-CD2 3.89Å; A161-L186 HydrophobicContact CB-CD2 4.14Å; A161-L186 HydrophobicContact CB-CG 4.05Å; L164-L186 HydrophobicContact CD1-CD2 3.93Å; V182-L186 WeakPolarHBondContact O-CG 3.44Å; V182-L186 PolarHBondContact O-N 3.13Å; V182-L186 VanDerWaalsContact O-N 3.08Å; C183-L186 PolarHBondContact O-N 3.04Å; E184-L186 VanDerWaalsContact C-N 3.32Å; E184-L186 PolarHBondContact O-N 3.42Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 3.29Å; L186-H189 PolarHBondContact O-N 2.93Å; L186-H189 VanDerWaalsContact O-N 3.16Å; L186-G190 PolarHBondContact O-N 2.94Å; L186-Y191 PolarHBondContact O-N 3.33Å
187	V	95.9	Very high	93.9	Very high	83 Å²	83	70 Å²	70	50%	0.503	35%	0.35	S	S	.	.	H	α-helix	trans	-65.3	-37.8	179.4	172.4	0	0	0	0	111.4	C183 E184 H189 G190	C183-V187 WeakPolarHBondContact O-CG2 3.3Å; C183-V187 PolarHBondContact O-N 2.94Å; C183-V187 VanDerWaalsContact O-N 3.15Å; E184-V187 PolarHBondContact O-N 3.1Å; V187-H189 PolarHBondContact O-N 3.36Å; V187-G190 PolarHBondContact O-N 2.82Å
188	R	95	Very high	93.9	Very high	167 Å²	167	73 Å²	73	63%	0.63	36%	0.355	S	S	*	.	H	α-helix	trans	-59	-30.2	175.1	-70	179.2	-153.8	141.8	13.5	112.6	E184 D185 L186 G190	E184-R188 WeakPolarHBondContact O-CG 3.44Å; E184-R188 PolarHBondContact O-N 3.48Å; E184-R188 IonicContact OE2-NH2 3.3Å; D185-R188 PolarHBondContact O-N 2.86Å; D185-R188 IonicContact OD1-CZ 3.96Å; D185-R188 VanDerWaalsContact OD1-CZ 3.27Å; D185-R188 IonicContact OD1-NH1 2.69Å; D185-R188 PolarHBondContact OD1-NH1 3.43Å; D185-R188 IonicContact OD1-NH2 2.61Å; D185-R188 PolarHBondContact OD1-NH2 2.9Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 3.29Å; R188-G190 VanDerWaalsContact C-N 3.33Å
189	H	92.6	Very high	94	Very high	80 Å²	80	66.5 Å²	66.5	37%	0.37	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	7.9	177.5	-67.4	86.5	0	0	0	113.5	L164 D165 D185 L186 V187 Y191	L164-H189 HydrophobicContact CB-CB 4.45Å; L164-H189 HydrophobicContact CD1-CB 4.02Å; D165-H189 IonicContact OD1-CE1 3.27Å; D165-H189 PolarHBondContact OD1-CE1 3.49Å; D165-H189 IonicContact OD1-ND1 3.65Å; D165-H189 IonicContact OD1-NE2 2.8Å; D185-H189 PolarHBondContact O-N 3.05Å; D185-H189 PolarHBondContact O-ND1 3.46Å; L186-H189 PolarHBondContact O-N 2.93Å; L186-H189 VanDerWaalsContact O-N 3.16Å; V187-H189 PolarHBondContact O-N 3.36Å; H189-Y191 VanDerWaalsContact C-N 3.29Å; H189-Y191 HydrophobicContact CB-CD2 3.96Å; H189-Y191 HydrophobicContact CB-CE2 4.43Å; H189-Y191 PolarHBondContact O-N 3.15Å
190	G	92.8	Very high	94.1	Very high	72 Å²	72	64.5 Å²	64.5	74%	0.742	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	10.8	179.6	0	0	0	0	0	114.6	L186 V187 R188	L186-G190 PolarHBondContact O-N 2.94Å; V187-G190 PolarHBondContact O-N 2.82Å; R188-G190 VanDerWaalsContact C-N 3.33Å
191	Y	93.9	Very high	94.2	Very high	65 Å²	65	57.6 Å²	57.6	26%	0.255	29%	0.288	S	S	.	.			trans	-89.5	159.4	173.9	-72.8	-89	0	0	0	111.6	L164 L186 H189 Y193	L164-Y191 HydrophobicContact CD1-CD2 3.41Å; L164-Y191 VanDerWaalsContact CD1-CD2 3.41Å; L164-Y191 HydrophobicContact CD1-CE2 3.49Å; L164-Y191 VanDerWaalsContact CD1-CE2 3.49Å; L164-Y191 HydrophobicContact CD1-CG 4.23Å; L164-Y191 HydrophobicContact CD2-CD2 4.37Å; L164-Y191 HydrophobicContact CD2-CE2 3.59Å; L164-Y191 HydrophobicContact CG-CE2 4.2Å; L186-Y191 PolarHBondContact O-N 3.33Å; H189-Y191 VanDerWaalsContact C-N 3.29Å; H189-Y191 HydrophobicContact CB-CD2 3.96Å; H189-Y191 HydrophobicContact CB-CE2 4.43Å; H189-Y191 PolarHBondContact O-N 3.15Å; Y191-Y193 PolarHBondContact O-N 2.76Å
192	N	94.4	Very high	94.4	Very high	52 Å²	52	55.1 Å²	55.1	28%	0.278	28%	0.28	S	S	.	.			trans	-64.6	134.4	174.6	-171.9	-6.9	0	0	0	110.9	L194 G195 K196	N192-L194 PolarHBondContact O-N 3.46Å; N192-L194 VanDerWaalsContact O-N 3.13Å; N192-L194 PolarHBondContact OD1-N 3.35Å; N192-G195 PolarHBondContact O-N 3.08Å; N192-K196 WeakPolarHBondContact CB-O 3.37Å; N192-K196 PolarHBondContact ND2-O 2.9Å
193	Y	93.4	Very high	94.5	Very high	133 Å²	133	60.9 Å²	60.9	52%	0.522	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.8	176.5	68	-81.8	0	0	0	113.3	C183 Y191 G195	C183-Y193 PolarHBondContact SG-O 2.96Å; Y191-Y193 PolarHBondContact O-N 2.76Å; Y193-G195 VanDerWaalsContact C-N 3.33Å
194	L	92.8	Very high	94.5	Very high	75 Å²	75	64 Å²	64	39%	0.393	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-0.7	175.2	-65	178.1	0	0	0	114	N192 K196 Y213	N192-L194 PolarHBondContact O-N 3.46Å; N192-L194 VanDerWaalsContact O-N 3.13Å; N192-L194 PolarHBondContact OD1-N 3.35Å; L194-K196 HydrophobicContact CB-CD 4.47Å; L194-K196 HydrophobicContact CB-CG 4.17Å; L194-K196 PolarHBondContact O-N 2.9Å; L194-Y213 WeakPolarHBondContact O-CD2 3.4Å; L194-Y213 WeakPolarHBondContact O-CE2 3.45Å
195	G	91.4	Very high	94.5	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.328	C	S	.	.			trans	62.7	18.8	-174.9	0	0	0	0	0	114.1	N192 Y193 Y213	N192-G195 PolarHBondContact O-N 3.08Å; Y193-G195 VanDerWaalsContact C-N 3.33Å; G195-Y213 WeakPolarHBondContact O-CD2 3.41Å
196	K	95.1	Very high	94.7	Very high	90 Å²	90	67.1 Å²	67.1	39%	0.391	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.7	174.4	-60.7	-176.9	178	-177	0	109.2	N192 L194 I212 Y213	N192-K196 WeakPolarHBondContact CB-O 3.37Å; N192-K196 PolarHBondContact ND2-O 2.9Å; L194-K196 HydrophobicContact CB-CD 4.47Å; L194-K196 HydrophobicContact CB-CG 4.17Å; L194-K196 PolarHBondContact O-N 2.9Å; K196-I212 CarbonylContact C-O 3.56Å; K196-I212 WeakPolarHBondContact CA-O 3.48Å; K196-Y213 HydrophobicContact CG-CD2 3.94Å
197	D	93.4	Very high	94.7	Very high	19 Å²	19	70.2 Å²	70.2	10%	0.102	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	161.1	-177.9	-63	-7.1	0	0	0	110.8	K160 V199 I212	K160-D197 IonicContact NZ-OD1 2.67Å; K160-D197 PolarHBondContact NZ-OD1 2.78Å; K160-D197 IonicContact NZ-OD2 2.91Å; K160-D197 PolarHBondContact NZ-OD2 2.91Å; D197-V199 HydrophobicContact CB-CG2 4.49Å; D197-I212 PolarHBondContact N-O 3.15Å; D197-I212 PolarHBondContact O-N 2.92Å
198	Y	93.3	Very high	94.7	Very high	107 Å²	107	69.1 Å²	69.1	42%	0.42	37%	0.367	S	S	.	.			trans	-78.7	133.3	165.4	-167.6	-105.6	0	0	0	109.2	P207 Y211	Y198-P207 HydrophobicContact CE1-CB 3.57Å; Y198-P207 HydrophobicContact CE2-CB 3.85Å; Y198-P207 WeakPolarHBondContact OH-CB 3.5Å; Y198-P207 WeakPolarHBondContact OH-CG 3.48Å; Y198-Y211 HydrophobicContact CD2-CE1 4.39Å
199	V	96	Very high	94.7	Very high	9 Å²	9	71.2 Å²	71.2	6%	0.055	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	136.4	-175.4	-171.2	0	0	0	0	109	P127 F128 D197 L208 I212	P127-V199 HydrophobicContact CB-CG1 3.62Å; P127-V199 HydrophobicContact CG-CG1 4.42Å; F128-V199 VanDerWaalsContact O-CG1 3.26Å; F128-V199 WeakPolarHBondContact O-CG1 2.96Å; D197-V199 HydrophobicContact CB-CG2 4.49Å; V199-L208 HydrophobicContact CB-CD1 4.34Å; V199-L208 WeakPolarHBondContact O-CB 3.36Å; V199-L208 WeakPolarHBondContact O-CG 3.33Å; V199-L208 PolarHBondContact O-N 3.18Å; V199-I212 HydrophobicContact CB-CB 4.37Å; V199-I212 HydrophobicContact CB-CG1 4.07Å; V199-I212 HydrophobicContact CG2-CB 3.76Å; V199-I212 HydrophobicContact CG2-CG1 4.02Å; V199-I212 HydrophobicContact CG2-CG2 4.48Å
200	T	96.8	Very high	94.9	Very high	19 Å²	19	70.2 Å²	70.2	12%	0.117	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	139.7	179.6	-56.9	0	0	0	0	110.2	P127 F128 G202 G205	P127-T200 CarbonylContact C-O 3.41Å; P127-T200 WeakPolarHBondContact CA-O 3.43Å; P127-T200 WeakPolarHBondContact CB-O 3.28Å; F128-T200 HydrophobicContact CE1-CG2 4.01Å; F128-T200 HydrophobicContact CE2-CG2 4.26Å; F128-T200 HydrophobicContact CZ-CG2 3.64Å; F128-T200 PolarHBondContact N-O 2.72Å; F128-T200 PolarHBondContact O-N 3.19Å; T200-G202 PolarHBondContact O-N 2.87Å; T200-G205 VanDerWaalsContact CG2-O 3.25Å; T200-G205 WeakPolarHBondContact CG2-O 3.37Å
201	S	97.2	Very high	95	Very high	20 Å²	20	74.4 Å²	74.4	14%	0.14	38%	0.384	C	S	.	.			trans	-68.2	125.9	174.9	176.9	0	0	0	0	110.5	I203 T204 G205 E206	S201-I203 VanDerWaalsContact C-N 3.25Å; S201-I203 PolarHBondContact O-N 3.48Å; S201-T204 WeakPolarHBondContact CB-OG1 3.47Å; S201-T204 PolarHBondContact OG-N 2.89Å; S201-T204 PolarHBondContact OG-OG1 2.92Å; S201-T204 VanDerWaalsContact OG-OG1 3.06Å; S201-G205 VanDerWaalsContact O-CA 3.23Å; S201-G205 WeakPolarHBondContact O-CA 3.46Å; S201-G205 PolarHBondContact O-N 3.4Å; S201-E206 VanDerWaalsContact CB-O 3.25Å; S201-E206 WeakPolarHBondContact CB-O 3.4Å; S201-E206 PolarHBondContact N-O 3.49Å
202	G	95.5	Very high	95.2	Very high	23 Å²	23	74.4 Å²	74.4	24%	0.237	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.7	174.8	0	0	0	0	0	113.1	E124 T200	E124-G202 CarbonylContact O-C 3.57Å; E124-G202 WeakPolarHBondContact O-CA 3.25Å; T200-G202 PolarHBondContact O-N 2.87Å
203	I	96.4	Very high	95.2	Very high	126 Å²	126	75 Å²	75	65%	0.646	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-48.1	-175.6	-58.3	172.6	0	0	0	111.7	D125 S201	D125-I203 HydrophobicContact CB-CG1 4.04Å; S201-I203 VanDerWaalsContact C-N 3.25Å; S201-I203 PolarHBondContact O-N 3.48Å
204	T	96.5	Very high	95.2	Very high	90 Å²	90	70.7 Å²	70.7	55%	0.552	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-19.1	-174.8	56	0	0	0	0	112.8	S201 E206	S201-T204 WeakPolarHBondContact CB-OG1 3.47Å; S201-T204 PolarHBondContact OG-N 2.89Å; S201-T204 PolarHBondContact OG-OG1 2.92Å; S201-T204 VanDerWaalsContact OG-OG1 3.06Å; T204-E206 PolarHBondContact O-N 3.47Å; T204-E206 PolarHBondContact OG1-N 3.35Å
205	G	94.8	Very high	95.4	Very high	50 Å²	50	68 Å²	68	52%	0.515	36%	0.361	S	S	.	.			trans	71.8	-0.1	-170.8	0	0	0	0	0	113.8	T200 S201	T200-G205 VanDerWaalsContact CG2-O 3.25Å; T200-G205 WeakPolarHBondContact CG2-O 3.37Å; S201-G205 VanDerWaalsContact O-CA 3.23Å; S201-G205 WeakPolarHBondContact O-CA 3.46Å; S201-G205 PolarHBondContact O-N 3.4Å
206	E	96.4	Very high	95.6	Very high	129 Å²	129	71 Å²	71	60%	0.603	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-89.4	149.8	179	-67.6	-179.8	162.8	0	0	111.1	S201 T204	S201-E206 VanDerWaalsContact CB-O 3.25Å; S201-E206 WeakPolarHBondContact CB-O 3.4Å; S201-E206 PolarHBondContact N-O 3.49Å; T204-E206 PolarHBondContact O-N 3.47Å; T204-E206 PolarHBondContact OG1-N 3.35Å
207	P	95.6	Very high	95.6	Very high	65 Å²	65	68.4 Å²	68.4	42%	0.422	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-68.4	144.4	174.7	29.2	-35.5	0	0	0	112.6	Y198	Y198-P207 HydrophobicContact CE1-CB 3.57Å; Y198-P207 HydrophobicContact CE2-CB 3.85Å; Y198-P207 WeakPolarHBondContact OH-CB 3.5Å; Y198-P207 WeakPolarHBondContact OH-CG 3.48Å
208	L	95.8	Very high	95.8	Very high	61 Å²	61	74.2 Å²	74.2	32%	0.319	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-71	139.5	175.1	-61.3	176.7	0	0	0	110.7	P127 V199 A210 I212	P127-L208 HydrophobicContact CB-CD1 4.43Å; V199-L208 HydrophobicContact CB-CD1 4.34Å; V199-L208 WeakPolarHBondContact O-CB 3.36Å; V199-L208 WeakPolarHBondContact O-CG 3.33Å; V199-L208 PolarHBondContact O-N 3.18Å; L208-A210 PolarHBondContact O-N 2.68Å; L208-A210 VanDerWaalsContact O-N 3.13Å; L208-I212 HydrophobicContact CD1-CD1 3.93Å; L208-I212 HydrophobicContact CD1-CG1 3.73Å
209	E	96	Very high	96	Very high	210 Å²	210	72 Å²	72	98%	0.981	39%	0.385	S	S	*	.	S	Bend	trans	-64.2	-18.8	-178.9	-61.6	-179.2	167.8	0	0	113.6
210	A	95.6	Very high	96	Very high	60 Å²	60	75.4 Å²	75.4	50%	0.496	40%	0.4	S	S	.	.	S	Bend	trans	-120.7	143	-177.9	0	0	0	0	0	111.7	L208 I212	L208-A210 PolarHBondContact O-N 2.68Å; L208-A210 VanDerWaalsContact O-N 3.13Å; A210-I212 WeakPolarHBondContact O-CD1 3.23Å; A210-I212 PolarHBondContact O-N 3.24Å
211	Y	95.8	Very high	96	Very high	159 Å²	159	78.5 Å²	78.5	62%	0.624	41%	0.412	S	S	*	.			trans	-66.3	129.4	171.6	-58.3	-71.2	0	0	0	111.1	Y198	Y198-Y211 HydrophobicContact CD2-CE1 4.39Å
212	I	96.6	Very high	96	Very high	65 Å²	65	79.5 Å²	79.5	33%	0.333	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.5	-176.4	-54.7	-55	0	0	0	109.4	K196 D197 V199 L208 A210 F214	K196-I212 CarbonylContact C-O 3.56Å; K196-I212 WeakPolarHBondContact CA-O 3.48Å; D197-I212 PolarHBondContact N-O 3.15Å; D197-I212 PolarHBondContact O-N 2.92Å; V199-I212 HydrophobicContact CB-CB 4.37Å; V199-I212 HydrophobicContact CB-CG1 4.07Å; V199-I212 HydrophobicContact CG2-CB 3.76Å; V199-I212 HydrophobicContact CG2-CG1 4.02Å; V199-I212 HydrophobicContact CG2-CG2 4.48Å; L208-I212 HydrophobicContact CD1-CD1 3.93Å; L208-I212 HydrophobicContact CD1-CG1 3.73Å; A210-I212 WeakPolarHBondContact O-CD1 3.23Å; A210-I212 PolarHBondContact O-N 3.24Å; I212-F214 HydrophobicContact CG2-CB 4.47Å; I212-F214 PolarHBondContact O-N 3.16Å
213	Y	95.9	Very high	96	Very high	65 Å²	65	87 Å²	87	26%	0.255	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	104.9	174.7	-172.4	-111.9	0	0	0	109.7	L153 L156 L157 L194 G195 K196	L153-Y213 WeakPolarHBondContact CA-OH 3.32Å; L153-Y213 HydrophobicContact CB-CE1 4.35Å; L153-Y213 HydrophobicContact CD2-CD1 4.01Å; L153-Y213 HydrophobicContact CD2-CE1 3.49Å; L153-Y213 VanDerWaalsContact CD2-CE1 3.49Å; L153-Y213 PolarHBondContact O-OH 2.84Å; L156-Y213 HydrophobicContact CB-CE1 4.02Å; L156-Y213 HydrophobicContact CD1-CD1 3.92Å; L156-Y213 HydrophobicContact CD1-CE1 3.62Å; L156-Y213 HydrophobicContact CD2-CD1 4.32Å; L156-Y213 HydrophobicContact CD2-CD2 4.48Å; L156-Y213 HydrophobicContact CD2-CE1 3.73Å; L156-Y213 HydrophobicContact CD2-CE2 3.9Å; L156-Y213 HydrophobicContact CG-CE1 3.98Å; L157-Y213 HydrophobicContact CD2-CE2 4.23Å; L157-Y213 HydrophobicContact CG-CE2 4.35Å; L157-Y213 WeakPolarHBondContact CG-OH 3.39Å; L194-Y213 WeakPolarHBondContact O-CD2 3.4Å; L194-Y213 WeakPolarHBondContact O-CE2 3.45Å; G195-Y213 WeakPolarHBondContact O-CD2 3.41Å; K196-Y213 HydrophobicContact CG-CD2 3.94Å
214	F	93.4	Very high	96	Very high	43 Å²	43	84.6 Å²	84.6	19%	0.189	43%	0.428	C	S	.	.			trans	-135.3	136.3	-168	168.5	-100.3	0	0	0	111.7	I133 P135 K160 I212	I133-F214 HydrophobicContact CB-CE1 4.31Å; I133-F214 HydrophobicContact CB-CZ 4.37Å; I133-F214 HydrophobicContact CG2-CE1 3.88Å; I133-F214 HydrophobicContact CG2-CZ 3.53Å; P135-F214 HydrophobicContact CB-CD2 4.19Å; P135-F214 HydrophobicContact CB-CE2 3.84Å; K160-F214 PolarHBondContact NZ-O 3.33Å; K160-F214 VanDerWaalsContact NZ-O 3.14Å; I212-F214 HydrophobicContact CG2-CB 4.47Å; I212-F214 PolarHBondContact O-N 3.16Å
215	G	95.4	Very high	95.9	Very high	18 Å²	18	82.2 Å²	82.2	19%	0.186	41%	0.411	C	S	.	.			trans	170.4	175.6	177.1	0	0	0	0	0	112.9
216	P	96	Very high	95.9	Very high	62 Å²	62	82.2 Å²	82.2	40%	0.403	40%	0.401	S	S	.	.			trans	-72.4	132.9	-175.7	29.9	-34.5	0	0	0	111.4	G159 V163	G159-P216 VanDerWaalsContact C-CG 3.49Å; V163-P216 HydrophobicContact CG2-CG 4.34Å
217	V	96.1	Very high	95.7	Very high	37 Å²	37	78 Å²	78	22%	0.224	38%	0.382	C	S	.	.			trans	-135.5	137.7	173.9	178.5	0	0	0	0	109.1	K152 L156 Y219	K152-V217 HydrophobicContact CG-CG1 4.4Å; L156-V217 HydrophobicContact CB-CG2 3.75Å; L156-V217 HydrophobicContact CD1-CG2 3.76Å; L156-V217 HydrophobicContact CG-CG2 3.96Å; V217-Y219 HydrophobicContact CB-CD2 4.32Å; V217-Y219 HydrophobicContact CB-CE2 4.18Å; V217-Y219 HydrophobicContact CG1-CD2 4.11Å; V217-Y219 HydrophobicContact CG1-CE2 3.92Å; V217-Y219 PolarHBondContact O-N 2.93Å
218	Y	96.4	Very high	95.5	Very high	140 Å²	140	78.5 Å²	78.5	55%	0.549	38%	0.381	S	S	.	.			trans	-76.2	114	179.8	-169	-96	0	0	0	111.9	R110 Q220	R110-Y218 HydrophobicContact CG-CD1 3.94Å; Y218-Q220 HydrophobicContact CD1-CG 4.05Å; Y218-Q220 HydrophobicContact CE1-CG 3.55Å
219	Y	97.2	Very high	95.2	Very high	62 Å²	62	81.2 Å²	81.2	24%	0.243	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.8	174.5	-90	-102.3	0	0	0	111.9	F107 I137 K152 V217	F107-Y219 HydrophobicContact CB-CD1 4.31Å; I137-Y219 HydrophobicContact CD1-CD1 4.21Å; I137-Y219 HydrophobicContact CD1-CG 4.15Å; K152-Y219 PolarHBondContact NZ-OH 3.48Å; V217-Y219 HydrophobicContact CB-CD2 4.32Å; V217-Y219 HydrophobicContact CB-CE2 4.18Å; V217-Y219 HydrophobicContact CG1-CD2 4.11Å; V217-Y219 HydrophobicContact CG1-CE2 3.92Å; V217-Y219 PolarHBondContact O-N 2.93Å
220	Q	96.6	Very high	95	Very high	80 Å²	80	78 Å²	78	37%	0.374	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.9	177.8	-62.2	174.4	-0.6	0	0	109.4	F107 S108 Y218	F107-Q220 CarbonylContact C-O 3.59Å; F107-Q220 WeakPolarHBondContact CA-O 3.43Å; S108-Q220 PolarHBondContact N-O 3.3Å; S108-Q220 PolarHBondContact O-N 3.25Å; Y218-Q220 HydrophobicContact CD1-CG 4.05Å; Y218-Q220 HydrophobicContact CE1-CG 3.55Å
221	K	96.6	Very high	94.7	Very high	83 Å²	83	78 Å²	78	36%	0.361	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130	168.3	-172.2	174	-177.5	173.9	0	109.1	D105 F107	D105-K221 WeakPolarHBondContact OD2-CE 3.21Å; D105-K221 IonicContact OD2-NZ 2.94Å; D105-K221 PolarHBondContact OD2-NZ 3.49Å; F107-K221 HydrophobicContact CD1-CB 3.99Å; F107-K221 HydrophobicContact CD1-CG 4.22Å; F107-K221 HydrophobicContact CE1-CB 3.77Å; F107-K221 HydrophobicContact CE1-CD 4.09Å; F107-K221 HydrophobicContact CE1-CG 3.75Å; F107-K221 HydrophobicContact CZ-CD 4.25Å; F107-K221 HydrophobicContact CZ-CG 4.19Å
222	L	96.7	Very high	94.5	Very high	42 Å²	42	74.6 Å²	74.6	22%	0.22	37%	0.371	C	S	.	.			trans	-93.6	156.7	179	-58.6	-173.9	0	0	0	111.3	K106 K114 H224	K106-L222 HydrophobicContact CB-CB 4.38Å; K106-L222 HydrophobicContact CD-CD1 3.94Å; K106-L222 HydrophobicContact CG-CD1 3.96Å; K106-L222 WeakPolarHBondContact O-CB 3.43Å; K106-L222 PolarHBondContact O-N 2.95Å; K114-L222 HydrophobicContact CD-CD1 4.49Å; K114-L222 HydrophobicContact CG-CD1 4.38Å; L222-H224 PolarHBondContact O-N 2.86Å
223	K	95.9	Very high	94.2	Very high	179 Å²	179	74.3 Å²	74.3	78%	0.778	37%	0.366	S	S	*	.	S	Bend	trans	-60.2	-8.9	174.5	71.5	176.8	-176.9	179.4	0	115.4	M225	K223-M225 VanDerWaalsContact C-N 3.32Å; K223-M225 PolarHBondContact O-N 3.32Å
224	H	95.9	Very high	93.9	Very high	76 Å²	76	76 Å²	76	35%	0.352	39%	0.394	S	S	.	.			trans	-84.4	77.4	-176.7	-57.1	99	0	0	0	110	K106 L222	K106-H224 HydrophobicContact CB-CB 4.01Å; K106-H224 HydrophobicContact CD-CB 4.33Å; K106-H224 PolarHBondContact N-O 3.05Å; L222-H224 PolarHBondContact O-N 2.86Å
225	M	95.2	Very high	93.7	Very high	40 Å²	40	85.3 Å²	85.3	20%	0.197	43%	0.427	C	S	.	.			trans	-86.6	147.4	175.7	-66.5	179.9	-76.4	0	0	111.3	R99 D105 K223 L227 D228	R99-M225 HydrophobicContact CB-SD 4.46Å; D105-M225 WeakPolarHBondContact OD1-CA 3.48Å; D105-M225 WeakPolarHBondContact OD1-CB 3.25Å; K223-M225 VanDerWaalsContact C-N 3.32Å; K223-M225 PolarHBondContact O-N 3.32Å; M225-L227 VanDerWaalsContact C-N 3.34Å; M225-L227 PolarHBondContact O-N 3.36Å; M225-D228 PolarHBondContact O-N 3.3Å
226	V	95	Very high	93.5	Very high	50 Å²	50	85.9 Å²	85.9	30%	0.303	43%	0.434	S	S	.	.	S	Bend	trans	-65.8	-37.6	-177.4	63.9	0	0	0	0	112.3	I103 D105 D228 K229 M230	I103-V226 WeakPolarHBondContact O-CG1 3.22Å; D105-V226 PolarHBondContact OD1-N 2.85Å; D105-V226 VanDerWaalsContact OD1-N 3.1Å; V226-D228 VanDerWaalsContact C-N 3.25Å; V226-D228 PolarHBondContact O-N 2.7Å; V226-K229 WeakPolarHBondContact O-CA 3.41Å; V226-K229 WeakPolarHBondContact O-CB 3.45Å; V226-K229 PolarHBondContact O-N 3.06Å; V226-M230 PolarHBondContact O-N 3.43Å
227	L	92.3	Very high	93.3	Very high	40 Å²	40	86.3 Å²	86.3	21%	0.209	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.5	-178.9	-166.3	76.8	0	0	0	112.2	T72 M225 K229 R249	T72-L227 HydrophobicContact CG2-CD1 3.89Å; T72-L227 HydrophobicContact CG2-CD2 3.75Å; T72-L227 HydrophobicContact CG2-CG 4.34Å; M225-L227 VanDerWaalsContact C-N 3.34Å; M225-L227 PolarHBondContact O-N 3.36Å; L227-K229 PolarHBondContact O-N 3.41Å; L227-R249 PolarHBondContact O-NH2 3.14Å; L227-R249 VanDerWaalsContact O-NH2 3.16Å
228	D	90.7	Very high	93.1	Very high	76 Å²	76	91 Å²	91	41%	0.406	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.4	177.2	-59.4	-32.7	0	0	0	113.1	R99 M225 V226 R249	R99-D228 IonicContact CZ-OD1 3.38Å; R99-D228 IonicContact CZ-OD2 3.86Å; R99-D228 IonicContact NH1-OD1 2.85Å; R99-D228 PolarHBondContact NH1-OD1 2.88Å; R99-D228 IonicContact NH1-OD2 2.76Å; R99-D228 PolarHBondContact NH1-OD2 3.05Å; R99-D228 IonicContact NH2-OD1 3.03Å; R99-D228 PolarHBondContact NH2-OD1 3.18Å; M225-D228 PolarHBondContact O-N 3.3Å; V226-D228 VanDerWaalsContact C-N 3.25Å; V226-D228 PolarHBondContact O-N 2.7Å; D228-R249 PolarHBondContact O-NH1 3.44Å
229	K	90.9	Very high	93	Very high	118 Å²	118	85.9 Å²	85.9	51%	0.513	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-28.5	175.6	-67.5	-175.7	175.9	-171.9	0	114.2	V226 L227 H231 R249	V226-K229 WeakPolarHBondContact O-CA 3.41Å; V226-K229 WeakPolarHBondContact O-CB 3.45Å; V226-K229 PolarHBondContact O-N 3.06Å; L227-K229 PolarHBondContact O-N 3.41Å; K229-H231 PolarHBondContact O-N 3.45Å; K229-R249 VanDerWaalsContact C-NH1 3.35Å; K229-R249 VanDerWaalsContact N-NH1 3.17Å
230	M	90.2	Very high	92.8	Very high	144 Å²	144	89.9 Å²	89.9	71%	0.709	47%	0.467	S	S	*	.			trans	-60.4	119.3	177.3	-176.3	177	177	0	0	110.5	V226 R249	V226-M230 PolarHBondContact O-N 3.43Å; M230-R249 PolarHBondContact O-NH1 3.34Å; M230-R249 PolarHBondContact O-NH2 3.39Å
231	H	90.3	Very high	92.7	Very high	60 Å²	60	91.7 Å²	91.7	28%	0.278	48%	0.479	S	S	.	.			trans	-143.3	132.1	179.9	177.5	55.9	0	0	0	109.5	K229 R249 G253	K229-H231 PolarHBondContact O-N 3.45Å; H231-R249 HydrophobicContact CB-CG 4.36Å; H231-G253 PolarHBondContact CE1-O 3.35Å; H231-G253 PolarHBondContact NE2-O 2.73Å
232	A	90.5	Very high	92.6	Very high	86 Å²	86	89.6 Å²	89.6	71%	0.711	47%	0.473	S	S	*	.			trans	-142.5	143.1	177.7	0	0	0	0	0	109.3
233	R	90.1	Very high	92.5	Very high	59 Å²	59	93 Å²	93	22%	0.223	48%	0.483	C	S	.	.			trans	-140.6	125.8	179.1	179.2	-169.6	171.9	146.4	-0.1	109	G236 P237 T246 D252 G254	R233-G236 VanDerWaalsContact NH2-C 3.32Å; R233-G236 PolarHBondContact NH2-O 3.14Å; R233-P237 PolarHBondContact NH2-O 3.15Å; R233-T246 PolarHBondContact NH1-OG1 3.18Å; R233-T246 VanDerWaalsContact NH1-OG1 3.14Å; R233-D252 VanDerWaalsContact CD-O 3.28Å; R233-D252 WeakPolarHBondContact CD-O 3.19Å; R233-D252 VanDerWaalsContact CZ-O 3.29Å; R233-D252 PolarHBondContact NH1-O 2.67Å; R233-G254 VanDerWaalsContact NH1-N 3.12Å
234	A	90.6	Very high	92.4	Very high	102 Å²	102	87.9 Å²	87.9	84%	0.843	46%	0.462	S	S	*	.	S	Bend	trans	-93	-66.2	169.9	0	0	0	0	0	110.6
235	R	89.3	Confident	92.3	Very high	237 Å²	237	86.2 Å²	86.2	89%	0.894	46%	0.458	S	S	*	.	S	Bend	trans	-137.8	150.6	171.8	-66.4	-177.9	-175.3	170.3	1.8	107.9
236	G	90.1	Very high	92.2	Very high	31 Å²	31	85.1 Å²	85.1	32%	0.32	45%	0.454	S	S	.	.			trans	-164.8	-175.9	-173.6	0	0	0	0	0	111.5	R233 D252	R233-G236 VanDerWaalsContact NH2-C 3.32Å; R233-G236 PolarHBondContact NH2-O 3.14Å; G236-D252 WeakPolarHBondContact CA-OD2 3.28Å
237	P	92	Very high	91.9	Very high	70 Å²	70	90.4 Å²	90.4	46%	0.455	48%	0.475	S	S	.	.			trans	-59.3	150.8	179.5	26.8	-33.9	0	0	0	111.4	R233 T246 D252	R233-P237 PolarHBondContact NH2-O 3.15Å; P237-T246 HydrophobicContact CB-CG2 4.22Å; P237-T246 HydrophobicContact CG-CG2 4.15Å; P237-T246 PolarHBondContact O-N 2.74Å; P237-T246 PolarHBondContact O-OG1 2.95Å; P237-D252 WeakPolarHBondContact CD-OD2 3.25Å; P237-D252 HydrophobicContact CG-CB 4.43Å
238	R	92.9	Very high	91.7	Very high	135 Å²	135	90.6 Å²	90.6	51%	0.509	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-111.7	149.2	177	-72.9	173.6	168.7	-161.5	-0.9	109.8	R243 Q244 S282	R238-R243 WeakPolarHBondContact CD-O 3.37Å; R238-R243 WeakPolarHBondContact CG-O 3.46Å; R238-Q244 CarbonylContact C-O 3.51Å; R238-Q244 WeakPolarHBondContact CA-O 2.94Å; R238-S282 PolarHBondContact NH2-O 3.06Å
239	A	93.7	Very high	91.5	Very high	34 Å²	34	91.8 Å²	91.8	28%	0.281	49%	0.486	S	S	.	.			trans	-61.2	139.2	171.1	0	0	0	0	0	109.8	L241 R243 Q244	A239-L241 PolarHBondContact O-N 2.9Å; A239-R243 WeakPolarHBondContact O-CA 3.15Å; A239-R243 PolarHBondContact O-N 2.86Å; A239-Q244 PolarHBondContact N-O 3.33Å
240	V	93.8	Very high	91.2	Very high	145 Å²	145	91.6 Å²	91.6	88%	0.879	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-42.1	-176	178.2	0	0	0	0	111.3
241	L	95	Very high	90.9	Very high	118 Å²	118	92.9 Å²	92.9	62%	0.618	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-61.3	-177.4	-178.6	63.7	0	0	0	112.1	A239 Y318 L322	A239-L241 PolarHBondContact O-N 2.9Å; L241-Y318 VanDerWaalsContact O-CE1 3.26Å; L241-Y318 WeakPolarHBondContact O-CE1 3.45Å; L241-L322 HydrophobicContact CD1-CD2 4.48Å; L241-L322 HydrophobicContact CG-CD2 4.27Å
242	T	94.5	Very high	90.7	Very high	39 Å²	39	93 Å²	93	24%	0.239	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.8	-171	58.9	0	0	0	0	114.1	Q244 Y318 L322	T242-Q244 PolarHBondContact O-N 3.14Å; T242-Y318 WeakPolarHBondContact O-CD1 3.48Å; T242-L322 HydrophobicContact CG2-CD2 4.24Å
243	R	93.1	Very high	90.5	Very high	113 Å²	113	89 Å²	89	43%	0.426	47%	0.465	S	S	.	.			trans	54.4	16.5	-173.4	-57.7	-170.6	-179.6	-165.7	-4.2	114.9	R238 A239 Y318	R238-R243 WeakPolarHBondContact CD-O 3.37Å; R238-R243 WeakPolarHBondContact CG-O 3.46Å; A239-R243 WeakPolarHBondContact O-CA 3.15Å; A239-R243 PolarHBondContact O-N 2.86Å; R243-Y318 HydrophobicContact CB-CD1 4Å; R243-Y318 HydrophobicContact CB-CE1 4.23Å; R243-Y318 HydrophobicContact CB-CG 4.2Å; R243-Y318 VanDerWaalsContact CD-CE2 3.47Å; R243-Y318 HydrophobicContact CG-CD1 4.07Å; R243-Y318 HydrophobicContact CG-CD2 4.41Å; R243-Y318 HydrophobicContact CG-CE1 3.81Å; R243-Y318 HydrophobicContact CG-CE2 4.15Å; R243-Y318 HydrophobicContact CG-CG 4.35Å
244	Q	93.8	Very high	90.5	Very high	72 Å²	72	87.5 Å²	87.5	34%	0.336	47%	0.468	S	S	.	.	S	Bend	trans	-82.6	160.8	174.6	-72.8	177	-8.5	0	0	111	R238 A239 T242 T246 D283	R238-Q244 CarbonylContact C-O 3.51Å; R238-Q244 WeakPolarHBondContact CA-O 2.94Å; A239-Q244 PolarHBondContact N-O 3.33Å; T242-Q244 PolarHBondContact O-N 3.14Å; Q244-T246 PolarHBondContact O-N 3.5Å; Q244-D283 HydrophobicContact CG-CB 4.03Å
245	P	94.2	Very high	90.6	Very high	42 Å²	42	90.2 Å²	90.2	27%	0.273	47%	0.468	S	S	.	.	B	Isolated β-bridge	trans	-45	134.1	165.7	-31.6	39.2	0	0	0	112.5
246	T	92.9	Very high	90.8	Very high	17 Å²	17	89.3 Å²	89.3	10%	0.104	47%	0.465	C	S	.	.			trans	-55.4	156.8	173.8	43.6	0	0	0	0	113	R233 P237 Q244 R251 D252 G253 G254	R233-T246 PolarHBondContact NH1-OG1 3.18Å; R233-T246 VanDerWaalsContact NH1-OG1 3.14Å; P237-T246 HydrophobicContact CB-CG2 4.22Å; P237-T246 HydrophobicContact CG-CG2 4.15Å; P237-T246 PolarHBondContact O-N 2.74Å; P237-T246 PolarHBondContact O-OG1 2.95Å; Q244-T246 PolarHBondContact O-N 3.5Å; T246-R251 PolarHBondContact OG1-O 2.79Å; T246-D252 PolarHBondContact OG1-O 3.48Å; T246-G253 CarbonylContact O-C 3.1Å; T246-G253 WeakPolarHBondContact O-CA 3.04Å; T246-G254 PolarHBondContact O-N 2.98Å
247	E	89.9	Confident	91	Very high	160 Å²	160	91.2 Å²	91.2	75%	0.748	47%	0.467	S	S	*	.	S	Bend	trans	-91.8	148.8	173.8	-61.9	-177.2	169.7	0	0	111.9
248	G	87.3	Confident	91.1	Very high	44 Å²	44	88.6 Å²	88.6	45%	0.454	45%	0.453	S	S	.	.	S	Bend	trans	82.4	138.8	171.7	0	0	0	0	0	114.7	S250 R251 G253	G248-S250 VanDerWaalsContact C-N 3.32Å; G248-S250 PolarHBondContact O-N 3.4Å; G248-R251 PolarHBondContact O-N 2.8Å; G248-R251 VanDerWaalsContact O-N 3.14Å; G248-G253 VanDerWaalsContact O-CA 3.25Å; G248-G253 WeakPolarHBondContact O-CA 3.16Å; G248-G253 PolarHBondContact O-N 2.87Å
249	R	86.2	Confident	91.2	Very high	102 Å²	102	88.5 Å²	88.5	39%	0.385	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-56.8	-41.1	-178.3	175	176.5	174.6	171.2	-0.4	113.3	L227 D228 K229 M230 H231 R251 D252	L227-R249 PolarHBondContact O-NH2 3.14Å; L227-R249 VanDerWaalsContact O-NH2 3.16Å; D228-R249 PolarHBondContact O-NH1 3.44Å; K229-R249 VanDerWaalsContact C-NH1 3.35Å; K229-R249 VanDerWaalsContact N-NH1 3.17Å; M230-R249 PolarHBondContact O-NH1 3.34Å; M230-R249 PolarHBondContact O-NH2 3.39Å; H231-R249 HydrophobicContact CB-CG 4.36Å; R249-R251 PolarHBondContact O-N 3.44Å; R249-R251 VanDerWaalsContact O-N 3.15Å; R249-D252 PolarHBondContact O-N 2.94Å; R249-D252 VanDerWaalsContact O-N 3.14Å
250	S	84.3	Confident	91.4	Very high	113 Å²	113	94.1 Å²	94.1	79%	0.79	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.5	-177.9	55.3	0	0	0	0	113.8	G248	G248-S250 VanDerWaalsContact C-N 3.32Å; G248-S250 PolarHBondContact O-N 3.4Å
251	R	85.3	Confident	91.5	Very high	172 Å²	172	91.6 Å²	91.6	65%	0.649	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-108.9	24.9	179.3	-55.7	-178.8	73.2	176.1	3.6	112.2	T246 G248 R249 G253	T246-R251 PolarHBondContact OG1-O 2.79Å; G248-R251 PolarHBondContact O-N 2.8Å; G248-R251 VanDerWaalsContact O-N 3.14Å; R249-R251 PolarHBondContact O-N 3.44Å; R249-R251 VanDerWaalsContact O-N 3.15Å; R251-G253 PolarHBondContact O-N 3.28Å
252	D	84.8	Confident	91.5	Very high	62 Å²	62	90 Å²	90	33%	0.332	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	41.9	-175.2	-172.2	31.1	0	0	0	111.4	R233 G236 P237 T246 R249	R233-D252 VanDerWaalsContact CD-O 3.28Å; R233-D252 WeakPolarHBondContact CD-O 3.19Å; R233-D252 VanDerWaalsContact CZ-O 3.29Å; R233-D252 PolarHBondContact NH1-O 2.67Å; G236-D252 WeakPolarHBondContact CA-OD2 3.28Å; P237-D252 WeakPolarHBondContact CD-OD2 3.25Å; P237-D252 HydrophobicContact CG-CB 4.43Å; T246-D252 PolarHBondContact OG1-O 3.48Å; R249-D252 PolarHBondContact O-N 2.94Å; R249-D252 VanDerWaalsContact O-N 3.14Å
253	G	87.5	Confident	91.7	Very high	1 Å²	1	91.8 Å²	91.8	1%	0.01	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-71.8	151.6	-170.7	0	0	0	0	0	114.1	H231 T246 G248 R251	H231-G253 PolarHBondContact CE1-O 3.35Å; H231-G253 PolarHBondContact NE2-O 2.73Å; T246-G253 CarbonylContact O-C 3.1Å; T246-G253 WeakPolarHBondContact O-CA 3.04Å; G248-G253 VanDerWaalsContact O-CA 3.25Å; G248-G253 WeakPolarHBondContact O-CA 3.16Å; G248-G253 PolarHBondContact O-N 2.87Å; R251-G253 PolarHBondContact O-N 3.28Å
254	G	89.4	Confident	91.9	Very high	28 Å²	28	90.2 Å²	90.2	29%	0.289	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-77.8	161.7	174.4	0	0	0	0	0	112.1	R233 T246	R233-G254 VanDerWaalsContact NH1-N 3.12Å; T246-G254 PolarHBondContact O-N 2.98Å
255	L	92.7	Very high	92	Very high	160 Å²	160	88.4 Å²	88.4	84%	0.838	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-80.1	136.1	163.8	-66.6	176.4	0	0	0	108.8
256	R	92.8	Very high	92.1	Very high	218 Å²	218	90.8 Å²	90.8	82%	0.823	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-84	123.8	178.1	-177.9	174.6	177.9	174.3	-2.4	109.1
257	L	94.3	Very high	92.3	Very high	70 Å²	70	93.4 Å²	93.4	37%	0.366	49%	0.491	S	S	.	.			trans	-85.4	110.5	160.6	-166.3	73	0	0	0	106.9	E261 L265 R277 L278	L257-E261 HydrophobicContact CD1-CB 3.39Å; L257-E261 HydrophobicContact CD1-CG 4.1Å; L257-E261 HydrophobicContact CG-CB 4Å; L257-L265 HydrophobicContact CD2-CD1 4.15Å; L257-R277 HydrophobicContact CD2-CB 4.02Å; L257-L278 HydrophobicContact CD2-CD2 3.94Å; L257-L278 HydrophobicContact CD2-CG 4.41Å
258	G	94.2	Very high	92.7	Very high	16 Å²	16	95.3 Å²	95.3	17%	0.165	49%	0.493	C	S	.	.			trans	-86.6	-172.5	-175.8	0	0	0	0	0	112.9	E261 R262	G258-E261 VanDerWaalsContact C-OE2 3.29Å; G258-E261 WeakPolarHBondContact CA-OE2 3.26Å; G258-E261 PolarHBondContact N-OE2 3.05Å; G258-R262 PolarHBondContact O-N 3.33Å; G258-R262 VanDerWaalsContact O-N 3.16Å
259	E	96.1	Very high	93.1	Very high	132 Å²	132	96 Å²	96	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-64.8	-44.5	177.2	-175.3	171.1	-158.9	0	0	111.9	E261 R262 D263	E259-E261 VanDerWaalsContact C-N 3.35Å; E259-E261 PolarHBondContact O-N 3.4Å; E259-R262 VanDerWaalsContact CG-NH2 3.31Å; E259-R262 WeakPolarHBondContact O-CB 3.11Å; E259-R262 PolarHBondContact O-N 3.16Å; E259-R262 IonicContact OE1-NH2 3.3Å; E259-R262 PolarHBondContact OE1-NH2 3.05Å; E259-D263 PolarHBondContact O-N 2.61Å
260	M	97.3	Very high	93.6	Very high	152 Å²	152	92.6 Å²	92.6	75%	0.749	49%	0.493	S	S	*	.	H	α-helix	trans	-63.1	-42.3	-178.9	-65.6	-176.2	175.4	0	0	111.4	D263 C264	M260-D263 PolarHBondContact O-N 3.37Å; M260-C264 PolarHBondContact O-N 3.18Å; M260-C264 VanDerWaalsContact O-N 3.11Å; M260-C264 PolarHBondContact O-SG 3.46Å
261	E	96.1	Very high	94.2	Very high	93 Å²	93	91.7 Å²	91.7	44%	0.435	49%	0.487	S	S	.	.	H	α-helix	trans	-69.2	-33.9	178.4	-61.5	83.3	177.2	0	0	112.3	L257 G258 E259 D263 C264 L265	L257-E261 HydrophobicContact CD1-CB 3.39Å; L257-E261 HydrophobicContact CD1-CG 4.1Å; L257-E261 HydrophobicContact CG-CB 4Å; G258-E261 VanDerWaalsContact C-OE2 3.29Å; G258-E261 WeakPolarHBondContact CA-OE2 3.26Å; G258-E261 PolarHBondContact N-OE2 3.05Å; E259-E261 VanDerWaalsContact C-N 3.35Å; E259-E261 PolarHBondContact O-N 3.4Å; E261-D263 VanDerWaalsContact C-N 3.34Å; E261-C264 PolarHBondContact O-N 2.91Å; E261-L265 WeakPolarHBondContact O-CG 3.4Å; E261-L265 PolarHBondContact O-N 3.32Å
262	R	96.1	Very high	94.7	Very high	85 Å²	85	90.1 Å²	90.1	32%	0.321	49%	0.489	S	S	.	.	H	α-helix	trans	-59.2	-47.7	171.5	174.8	-160.5	71.4	-161.9	-1.8	110.3	G258 E259 C264 L265 I266 L274 L278	G258-R262 PolarHBondContact O-N 3.33Å; G258-R262 VanDerWaalsContact O-N 3.16Å; E259-R262 VanDerWaalsContact CG-NH2 3.31Å; E259-R262 WeakPolarHBondContact O-CB 3.11Å; E259-R262 PolarHBondContact O-N 3.16Å; E259-R262 IonicContact OE1-NH2 3.3Å; E259-R262 PolarHBondContact OE1-NH2 3.05Å; R262-C264 VanDerWaalsContact C-N 3.3Å; R262-C264 PolarHBondContact O-N 3.23Å; R262-L265 WeakPolarHBondContact O-CB 3.48Å; R262-L265 PolarHBondContact O-N 3.43Å; R262-I266 HydrophobicContact CG-CD1 3.96Å; R262-I266 HydrophobicContact CG-CG1 4.49Å; R262-I266 WeakPolarHBondContact O-CG1 3.41Å; R262-I266 PolarHBondContact O-N 3.44Å; R262-L274 HydrophobicContact CG-CD2 4.02Å; R262-L278 HydrophobicContact CG-CD1 4.12Å
263	D	97	Very high	95.3	Very high	75 Å²	75	90.5 Å²	90.5	40%	0.401	49%	0.49	S	S	.	.	H	α-helix	trans	-66.5	-35	-176.1	-65.1	-9.4	0	0	0	111.5	E259 M260 E261 L265 I266 G267	E259-D263 PolarHBondContact O-N 2.61Å; M260-D263 PolarHBondContact O-N 3.37Å; E261-D263 VanDerWaalsContact C-N 3.34Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-L265 PolarHBondContact O-N 3.11Å; D263-I266 PolarHBondContact O-N 3.28Å; D263-G267 PolarHBondContact O-N 3.43Å
264	C	97.3	Very high	95.7	Very high	81 Å²	81	91.8 Å²	91.8	55%	0.547	50%	0.497	S	S	.	.	H	α-helix	trans	-57.8	-45.3	169.2	-64.4	0	0	0	0	112.1	M260 E261 R262 I266 G267 Y268	M260-C264 PolarHBondContact O-N 3.18Å; M260-C264 VanDerWaalsContact O-N 3.11Å; M260-C264 PolarHBondContact O-SG 3.46Å; E261-C264 PolarHBondContact O-N 2.91Å; R262-C264 VanDerWaalsContact C-N 3.3Å; R262-C264 PolarHBondContact O-N 3.23Å; C264-I266 VanDerWaalsContact C-N 3.34Å; C264-I266 PolarHBondContact O-N 3.34Å; C264-G267 PolarHBondContact O-N 3.28Å; C264-Y268 WeakPolarHBondContact O-CD2 3.49Å; C264-Y268 PolarHBondContact O-N 3.19Å
265	L	96.6	Very high	95.9	Very high	34 Å²	34	94.2 Å²	94.2	18%	0.178	50%	0.503	C	S	.	.	H	α-helix	trans	-67.2	-33.9	178.8	-68.1	178.2	0	0	0	112.9	L257 E261 R262 D263 G267 Y268 G269 A270 L273 L274	L257-L265 HydrophobicContact CD2-CD1 4.15Å; E261-L265 WeakPolarHBondContact O-CG 3.4Å; E261-L265 PolarHBondContact O-N 3.32Å; R262-L265 WeakPolarHBondContact O-CB 3.48Å; R262-L265 PolarHBondContact O-N 3.43Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-L265 PolarHBondContact O-N 3.11Å; L265-G267 VanDerWaalsContact C-N 3.35Å; L265-Y268 PolarHBondContact O-N 3.29Å; L265-G269 PolarHBondContact O-N 3.11Å; L265-A270 PolarHBondContact O-N 3.05Å; L265-L273 HydrophobicContact CD2-CD2 3.82Å; L265-L274 HydrophobicContact CB-CD1 4.43Å; L265-L274 HydrophobicContact CB-CD2 3.61Å; L265-L274 HydrophobicContact CB-CG 3.92Å; L265-L274 HydrophobicContact CD1-CD2 3.85Å; L265-L274 HydrophobicContact CD1-CG 4.45Å; L265-L274 HydrophobicContact CG-CD2 4.39Å
266	I	96.7	Very high	96.1	Very high	92 Å²	92	89.8 Å²	89.8	47%	0.472	48%	0.478	S	S	.	.	H	α-helix	trans	-64.6	-42	172.3	-65.9	169.2	0	0	0	110.1	R262 D263 C264 Y268 G269 L274	R262-I266 HydrophobicContact CG-CD1 3.96Å; R262-I266 HydrophobicContact CG-CG1 4.49Å; R262-I266 WeakPolarHBondContact O-CG1 3.41Å; R262-I266 PolarHBondContact O-N 3.44Å; D263-I266 PolarHBondContact O-N 3.28Å; C264-I266 VanDerWaalsContact C-N 3.34Å; C264-I266 PolarHBondContact O-N 3.34Å; I266-Y268 PolarHBondContact O-N 3.03Å; I266-G269 WeakPolarHBondContact O-CA 3.38Å; I266-G269 PolarHBondContact O-N 3.3Å; I266-L274 HydrophobicContact CG1-CD1 3.58Å
267	G	97.4	Very high	96.2	Very high	72 Å²	72	85.3 Å²	85.3	74%	0.742	46%	0.461	S	S	*	.	H	α-helix	trans	-58.6	-32.5	176.4	0	0	0	0	0	113.7	D263 C264 L265 G269	D263-G267 PolarHBondContact O-N 3.43Å; C264-G267 PolarHBondContact O-N 3.28Å; L265-G267 VanDerWaalsContact C-N 3.35Å; G267-G269 VanDerWaalsContact C-N 3.32Å
268	Y	96.9	Very high	96.2	Very high	200 Å²	200	85.4 Å²	85.4	78%	0.784	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.5	172	-76.6	-71.6	0	0	0	114.2	C264 L265 I266 A270	C264-Y268 WeakPolarHBondContact O-CD2 3.49Å; C264-Y268 PolarHBondContact O-N 3.19Å; L265-Y268 PolarHBondContact O-N 3.29Å; I266-Y268 PolarHBondContact O-N 3.03Å; Y268-A270 VanDerWaalsContact C-N 3.3Å; Y268-A270 PolarHBondContact O-N 3.29Å
269	G	96.8	Very high	96.2	Very high	58 Å²	58	85.6 Å²	85.6	60%	0.598	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	18.1	-174.1	0	0	0	0	0	114.2	L265 I266 G267 S271	L265-G269 PolarHBondContact O-N 3.11Å; I266-G269 WeakPolarHBondContact O-CA 3.38Å; I266-G269 PolarHBondContact O-N 3.3Å; G267-G269 VanDerWaalsContact C-N 3.32Å; G269-S271 VanDerWaalsContact C-N 3.31Å; G269-S271 PolarHBondContact O-N 3.17Å
270	A	96.8	Very high	96.2	Very high	31 Å²	31	82.7 Å²	82.7	26%	0.256	45%	0.446	S	S	.	.			trans	-82.6	67.3	-173.9	0	0	0	0	0	112.6	L265 Y268 M272 L273 L274	L265-A270 PolarHBondContact O-N 3.05Å; Y268-A270 VanDerWaalsContact C-N 3.3Å; Y268-A270 PolarHBondContact O-N 3.29Å; A270-M272 PolarHBondContact O-N 3.05Å; A270-L273 HydrophobicContact CB-CB 4.03Å; A270-L273 HydrophobicContact CB-CD2 4.36Å; A270-L273 PolarHBondContact O-N 3.27Å; A270-L274 PolarHBondContact O-N 2.83Å; A270-L274 VanDerWaalsContact O-N 3.07Å
271	S	95.8	Very high	96	Very high	94 Å²	94	78.7 Å²	78.7	66%	0.657	43%	0.433	S	S	*	.	H	α-helix	trans	-60.3	-42.6	-174.3	60.5	0	0	0	0	114.1	G269 L274 L275	G269-S271 VanDerWaalsContact C-N 3.31Å; G269-S271 PolarHBondContact O-N 3.17Å; S271-L274 WeakPolarHBondContact O-CB 3.45Å; S271-L274 PolarHBondContact O-N 3.41Å; S271-L275 PolarHBondContact O-N 3.49Å; S271-L275 VanDerWaalsContact O-N 3.12Å
272	M	96.4	Very high	95.8	Very high	138 Å²	138	75.4 Å²	75.4	68%	0.68	42%	0.421	S	S	*	.	H	α-helix	trans	-67.6	-37.2	179.1	-173.7	61.7	81.7	0	0	112	A270 L275 E276	A270-M272 PolarHBondContact O-N 3.05Å; M272-L275 PolarHBondContact O-N 3.48Å; M272-L275 HydrophobicContact SD-CD2 4.32Å; M272-E276 PolarHBondContact O-N 2.86Å
273	L	96.8	Very high	95.8	Very high	71 Å²	71	71.6 Å²	71.6	37%	0.372	41%	0.407	S	S	.	.	H	α-helix	trans	-66.9	-39.5	176.7	-177.7	62.8	0	0	0	111.3	L265 A270 E276 R277	L265-L273 HydrophobicContact CD2-CD2 3.82Å; A270-L273 HydrophobicContact CB-CB 4.03Å; A270-L273 HydrophobicContact CB-CD2 4.36Å; A270-L273 PolarHBondContact O-N 3.27Å; L273-E276 PolarHBondContact O-N 3Å; L273-R277 HydrophobicContact CD1-CG 3.83Å; L273-R277 HydrophobicContact CG-CG 4.19Å; L273-R277 WeakPolarHBondContact O-CB 3.49Å; L273-R277 VanDerWaalsContact O-CG 3.25Å; L273-R277 WeakPolarHBondContact O-CG 3.35Å; L273-R277 PolarHBondContact O-N 3.36Å
274	L	95.8	Very high	95.7	Very high	28 Å²	28	69.8 Å²	69.8	15%	0.147	40%	0.402	C	S	.	.	H	α-helix	trans	-58.9	-46.4	173.3	-78.8	167	0	0	0	111.7	R262 L265 I266 A270 S271 E276 R277 L278	R262-L274 HydrophobicContact CG-CD2 4.02Å; L265-L274 HydrophobicContact CB-CD1 4.43Å; L265-L274 HydrophobicContact CB-CD2 3.61Å; L265-L274 HydrophobicContact CB-CG 3.92Å; L265-L274 HydrophobicContact CD1-CD2 3.85Å; L265-L274 HydrophobicContact CD1-CG 4.45Å; L265-L274 HydrophobicContact CG-CD2 4.39Å; I266-L274 HydrophobicContact CG1-CD1 3.58Å; A270-L274 PolarHBondContact O-N 2.83Å; A270-L274 VanDerWaalsContact O-N 3.07Å; S271-L274 WeakPolarHBondContact O-CB 3.45Å; S271-L274 PolarHBondContact O-N 3.41Å; L274-E276 PolarHBondContact O-N 3.46Å; L274-R277 PolarHBondContact O-N 3.44Å; L274-L278 HydrophobicContact CD2-CD1 4.09Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 PolarHBondContact O-N 3.41Å
275	L	95.3	Very high	95.6	Very high	78 Å²	78	68.1 Å²	68.1	41%	0.408	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.9	-173.1	69	0	0	0	111.4	S271 M272 M279 I280	S271-L275 PolarHBondContact O-N 3.49Å; S271-L275 VanDerWaalsContact O-N 3.12Å; M272-L275 PolarHBondContact O-N 3.48Å; M272-L275 HydrophobicContact SD-CD2 4.32Å; L275-M279 HydrophobicContact CD1-CB 4.34Å; L275-M279 HydrophobicContact CD1-SD 3.74Å; L275-M279 WeakPolarHBondContact O-CB 3.44Å; L275-M279 PolarHBondContact O-N 2.93Å; L275-M279 VanDerWaalsContact O-N 3.12Å; L275-I280 HydrophobicContact CG-CD1 4.46Å; L275-I280 PolarHBondContact O-N 3.19Å; L275-I280 VanDerWaalsContact O-N 3.15Å
276	E	95.9	Very high	95.6	Very high	67 Å²	67	73.5 Å²	73.5	31%	0.313	41%	0.41	S	S	.	.	I	π-helix	trans	-62	-48.5	178.7	-169.2	-146.4	-174.6	0	0	112	M272 L273 L274 I280 S281	M272-E276 PolarHBondContact O-N 2.86Å; L273-E276 PolarHBondContact O-N 3Å; L274-E276 PolarHBondContact O-N 3.46Å; E276-I280 PolarHBondContact O-N 2.89Å; E276-S281 VanDerWaalsContact O-CB 3.31Å; E276-S281 WeakPolarHBondContact O-CB 3.48Å; E276-S281 PolarHBondContact O-N 3.25Å; E276-S281 PolarHBondContact O-OG 3.25Å
277	R	94.8	Very high	95.5	Very high	125 Å²	125	69.5 Å²	69.5	47%	0.472	39%	0.389	S	S	.	.	I	π-helix	trans	-75.9	-42.4	-172.5	-66.1	-68.3	138.8	178.1	-3	112.7	L257 L273 L274	L257-R277 HydrophobicContact CD2-CB 4.02Å; L273-R277 HydrophobicContact CD1-CG 3.83Å; L273-R277 HydrophobicContact CG-CG 4.19Å; L273-R277 WeakPolarHBondContact O-CB 3.49Å; L273-R277 VanDerWaalsContact O-CG 3.25Å; L273-R277 WeakPolarHBondContact O-CG 3.35Å; L273-R277 PolarHBondContact O-N 3.36Å; L274-R277 PolarHBondContact O-N 3.44Å
278	L	94.5	Very high	95.4	Very high	71 Å²	71	67.4 Å²	67.4	37%	0.372	36%	0.361	S	S	.	.	I	π-helix	trans	-85	-33.2	-175.4	-67.4	175	0	0	0	113.4	L257 R262 L274 S282	L257-L278 HydrophobicContact CD2-CD2 3.94Å; L257-L278 HydrophobicContact CD2-CG 4.41Å; R262-L278 HydrophobicContact CG-CD1 4.12Å; L274-L278 HydrophobicContact CD2-CD1 4.09Å; L274-L278 WeakPolarHBondContact O-CB 3.43Å; L274-L278 PolarHBondContact O-N 3.41Å; L278-S282 WeakPolarHBondContact O-CB 3.37Å
279	M	94.7	Very high	95.3	Very high	21 Å²	21	57.9 Å²	57.9	10%	0.103	32%	0.324	C	S	.	.	I	π-helix	trans	-111.4	-58.2	-174.4	-179.7	-174.7	167.3	0	0	112.1	L275 S281 S282 D283 A284 R315 P317	L275-M279 HydrophobicContact CD1-CB 4.34Å; L275-M279 HydrophobicContact CD1-SD 3.74Å; L275-M279 WeakPolarHBondContact O-CB 3.44Å; L275-M279 PolarHBondContact O-N 2.93Å; L275-M279 VanDerWaalsContact O-N 3.12Å; M279-S281 PolarHBondContact O-N 3.14Å; M279-S282 PolarHBondContact O-N 3.29Å; M279-D283 PolarHBondContact O-N 3Å; M279-A284 WeakPolarHBondContact O-CB 3.31Å; M279-A284 PolarHBondContact O-N 3.34Å; M279-R315 HydrophobicContact CE-CB 3.81Å; M279-R315 HydrophobicContact CE-CG 3.61Å; M279-R315 WeakPolarHBondContact CE-O 3.25Å; M279-P317 HydrophobicContact CB-CG 4.38Å; M279-P317 HydrophobicContact CG-CG 4.01Å; M279-P317 HydrophobicContact SD-CG 4.41Å
280	I	95.1	Very high	95.1	Very high	71 Å²	71	55.2 Å²	55.2	36%	0.364	30%	0.296	S	S	.	.	I	π-helix	trans	-65.4	-46.1	-170.3	-55.3	-177	0	0	0	111.5	L275 E276	L275-I280 HydrophobicContact CG-CD1 4.46Å; L275-I280 PolarHBondContact O-N 3.19Å; L275-I280 VanDerWaalsContact O-N 3.15Å; E276-I280 PolarHBondContact O-N 2.89Å
281	S	93.1	Very high	94.8	Very high	67 Å²	67	55.8 Å²	55.8	47%	0.469	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.3	-174.8	-58.6	0	0	0	0	114	E276 M279	E276-S281 VanDerWaalsContact O-CB 3.31Å; E276-S281 WeakPolarHBondContact O-CB 3.48Å; E276-S281 PolarHBondContact O-N 3.25Å; E276-S281 PolarHBondContact O-OG 3.25Å; M279-S281 PolarHBondContact O-N 3.14Å
282	S	92.5	Very high	94.6	Very high	25 Å²	25	58.1 Å²	58.1	18%	0.175	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-83.7	-176	-174.8	0	0	0	0	111.4	R238 L278 M279	R238-S282 PolarHBondContact NH2-O 3.06Å; L278-S282 WeakPolarHBondContact O-CB 3.37Å; M279-S282 PolarHBondContact O-N 3.29Å
283	D	95.4	Very high	94.3	Very high	5 Å²	5	52 Å²	52	3%	0.027	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	35.5	-165	68.9	-25.4	0	0	0	113	Q244 M279 F285 Y318 A319	Q244-D283 HydrophobicContact CG-CB 4.03Å; M279-D283 PolarHBondContact O-N 3Å; D283-F285 PolarHBondContact O-N 3.33Å; D283-Y318 WeakPolarHBondContact O-CB 3.39Å; D283-Y318 PolarHBondContact O-N 2.93Å; D283-Y318 PolarHBondContact OD2-N 2.95Å; D283-A319 WeakPolarHBondContact OD2-CB 3.48Å; D283-A319 PolarHBondContact OD2-N 3.29Å
284	A	95.8	Very high	94	Very high	36 Å²	36	48.8 Å²	48.8	30%	0.298	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52	127.9	172.6	0	0	0	0	0	111.9	M279	M279-A284 WeakPolarHBondContact O-CB 3.31Å; M279-A284 PolarHBondContact O-N 3.34Å
285	F	95.5	Very high	93.9	Very high	46 Å²	46	48.7 Å²	48.7	20%	0.202	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.7	-179.5	-173.8	-99.6	0	0	0	110.5	D283 V287 R315 I316 Y318 K321	D283-F285 PolarHBondContact O-N 3.33Å; F285-V287 HydrophobicContact CD1-CB 4.16Å; F285-V287 HydrophobicContact CE1-CB 4.13Å; F285-V287 HydrophobicContact CE1-CG2 4.42Å; F285-R315 WeakPolarHBondContact O-CA 3.28Å; F285-I316 PolarHBondContact N-O 3.12Å; F285-I316 PolarHBondContact O-N 2.96Å; F285-Y318 HydrophobicContact CB-CD2 4.12Å; F285-Y318 HydrophobicContact CD1-CD2 4.29Å; F285-Y318 AromaticContact CD2-CD2 3.77Å; F285-Y318 HydrophobicContact CD2-CD2 3.77Å; F285-Y318 HydrophobicContact CD2-CE2 4.34Å; F285-Y318 HydrophobicContact CE2-CD2 4.29Å; F285-Y318 HydrophobicContact CE2-CE2 4.42Å; F285-Y318 AromaticContact CG-CD2 3.78Å; F285-Y318 HydrophobicContact CG-CD2 3.78Å; F285-K321 HydrophobicContact CD1-CD 3.86Å; F285-K321 HydrophobicContact CE1-CD 3.63Å; F285-K321 HydrophobicContact CZ-CD 4.35Å
286	E	95.4	Very high	93.8	Very high	148 Å²	148	46.8 Å²	46.8	69%	0.692	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.1	173.3	-70.3	178.2	179.4	0	0	109.3	L314 R315	E286-L314 WeakPolarHBondContact CA-O 3.34Å; E286-R315 HydrophobicContact CG-CG 4.36Å
287	V	94.4	Very high	93.6	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.4	-179.3	72.1	0	0	0	0	109.9	F285 V289 L296 S313 L314 I316	F285-V287 HydrophobicContact CD1-CB 4.16Å; F285-V287 HydrophobicContact CE1-CB 4.13Å; F285-V287 HydrophobicContact CE1-CG2 4.42Å; V287-V289 HydrophobicContact CG1-CG2 4Å; V287-L296 HydrophobicContact CG1-CD2 4.35Å; V287-L296 HydrophobicContact CG2-CB 4.24Å; V287-L296 HydrophobicContact CG2-CD1 4.21Å; V287-L296 HydrophobicContact CG2-CD2 3.84Å; V287-L296 HydrophobicContact CG2-CG 4.31Å; V287-S313 WeakPolarHBondContact O-CA 3.38Å; V287-L314 PolarHBondContact N-O 3.43Å; V287-L314 PolarHBondContact O-N 3.04Å; V287-I316 HydrophobicContact CB-CD1 4.47Å; V287-I316 HydrophobicContact CB-CG1 4.47Å; V287-I316 HydrophobicContact CG1-CD1 3.65Å; V287-I316 HydrophobicContact CG1-CG1 3.7Å
288	D	95.2	Very high	93.5	Very high	27 Å²	27	46.3 Å²	46.3	14%	0.144	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.4	173.1	-64	-31	0	0	0	109.6	L296 G297 S299 G300 V311 S313	D288-L296 CarbonylContact O-C 3.53Å; D288-L296 WeakPolarHBondContact O-CA 3.47Å; D288-G297 PolarHBondContact O-N 3.06Å; D288-S299 PolarHBondContact OD2-N 3.45Å; D288-G300 PolarHBondContact OD2-N 3.25Å; D288-V311 HydrophobicContact CB-CG1 3.66Å; D288-S313 PolarHBondContact OD1-OG 3.06Å
289	V	94.8	Very high	93.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.7	179.3	-175.2	0	0	0	0	109.5	V287 L296 S312 L314 L336 L338	V287-V289 HydrophobicContact CG1-CG2 4Å; V289-L296 HydrophobicContact CG2-CD2 3.74Å; V289-S312 PolarHBondContact N-O 2.91Å; V289-S312 PolarHBondContact O-N 3.28Å; V289-L314 HydrophobicContact CB-CD1 4.03Å; V289-L314 HydrophobicContact CG2-CD1 3.8Å; V289-L336 HydrophobicContact CG1-CB 4.07Å; V289-L336 HydrophobicContact CG1-CD1 3.84Å; V289-L336 HydrophobicContact CG2-CD1 3.92Å; V289-L338 HydrophobicContact CB-CD1 4.14Å; V289-L338 HydrophobicContact CG1-CD1 3.99Å; V289-L338 HydrophobicContact CG1-CD2 4.32Å; V289-L338 HydrophobicContact CG1-CG 4.41Å
290	C	94	Very high	93	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.8	175.5	-177.9	0	0	0	0	110.9	Q292 C293 G294 L295 C302 H310	C290-Q292 VanDerWaalsContact C-N 3.28Å; C290-Q292 PolarHBondContact O-N 2.96Å; C290-C293 WeakPolarHBondContact CB-SG 3.24Å; C290-C293 VanDerWaalsContact SG-SG 3.64Å; C290-G294 VanDerWaalsContact O-CA 3.23Å; C290-G294 WeakPolarHBondContact O-CA 3.33Å; C290-G294 PolarHBondContact O-N 2.97Å; C290-L295 PolarHBondContact N-O 3.33Å; C290-C302 HydrophobicContact CB-CB 3.95Å; C290-H310 CarbonylContact C-O 3.57Å; C290-H310 WeakPolarHBondContact CA-O 3.36Å
291	G	90.3	Very high	93	Very high	42 Å²	42	49.4 Å²	49.4	43%	0.433	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.5	178.8	0	0	0	0	0	114.6	H310	G291-H310 PolarHBondContact N-O 3.07Å
292	Q	90.1	Very high	92.9	Very high	144 Å²	144	46.2 Å²	46.2	67%	0.673	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-47	179.7	-171.4	179.9	-7	0	0	112.8	C290	C290-Q292 VanDerWaalsContact C-N 3.28Å; C290-Q292 PolarHBondContact O-N 2.96Å
293	C	90.8	Very high	92.8	Very high	10 Å²	10	51.2 Å²	51.2	7%	0.068	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-15.6	-176.1	72	0	0	0	0	114.1	C290 L295 C302 Y304 R335	C290-C293 WeakPolarHBondContact CB-SG 3.24Å; C290-C293 VanDerWaalsContact SG-SG 3.64Å; C293-L295 PolarHBondContact O-N 3.49Å; C293-C302 PolarHBondContact SG-SG 2.94Å; C293-Y304 HydrophobicContact CB-CD1 4.04Å; C293-R335 PolarHBondContact O-NH1 3.24Å
294	G	91.5	Very high	92.6	Very high	3 Å²	3	58.4 Å²	58.4	3%	0.031	30%	0.3	C	S	.	.			trans	71.8	11.5	179.8	0	0	0	0	0	114.9	C290 L336	C290-G294 VanDerWaalsContact O-CA 3.23Å; C290-G294 WeakPolarHBondContact O-CA 3.33Å; C290-G294 PolarHBondContact O-N 2.97Å; G294-L336 WeakPolarHBondContact CA-O 3.47Å; G294-L336 PolarHBondContact O-N 3.3Å
295	L	93.1	Very high	92.3	Very high	25 Å²	25	58.8 Å²	58.8	13%	0.131	30%	0.3	C	S	.	.			trans	-93.7	155.9	178.6	-63.4	174	0	0	0	111.3	C290 C293 Y304 I333	C290-L295 PolarHBondContact N-O 3.33Å; C293-L295 PolarHBondContact O-N 3.49Å; L295-Y304 HydrophobicContact CD1-CD2 4.06Å; L295-Y304 HydrophobicContact CD1-CG 3.91Å; L295-I333 HydrophobicContact CD2-CG2 3.7Å
296	L	93.8	Very high	92.1	Very high	38 Å²	38	64.3 Å²	64.3	20%	0.199	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	132	174	-51.9	-177.2	0	0	0	110	V287 D288 V289 K321 F324 L336	V287-L296 HydrophobicContact CG1-CD2 4.35Å; V287-L296 HydrophobicContact CG2-CB 4.24Å; V287-L296 HydrophobicContact CG2-CD1 4.21Å; V287-L296 HydrophobicContact CG2-CD2 3.84Å; V287-L296 HydrophobicContact CG2-CG 4.31Å; D288-L296 CarbonylContact O-C 3.53Å; D288-L296 WeakPolarHBondContact O-CA 3.47Å; V289-L296 HydrophobicContact CG2-CD2 3.74Å; L296-K321 HydrophobicContact CD1-CG 3.91Å; L296-F324 HydrophobicContact CD1-CB 4.47Å; L296-F324 HydrophobicContact CD1-CD2 4.33Å; L296-F324 HydrophobicContact CD2-CD2 4.46Å; L296-L336 HydrophobicContact CD2-CD1 4.14Å
297	G	91.6	Very high	91.9	Very high	15 Å²	15	59.1 Å²	59.1	16%	0.155	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-179.9	171.5	0	0	0	0	0	112.1	D288 W301	D288-G297 PolarHBondContact O-N 3.06Å; G297-W301 VanDerWaalsContact CA-O 3.25Å; G297-W301 WeakPolarHBondContact CA-O 3.44Å
298	Y	91.9	Very high	91.7	Very high	167 Å²	167	62.2 Å²	62.2	66%	0.655	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-136.1	131.1	174	178.2	-104.8	0	0	0	109.6	G300 W301	Y298-G300 VanDerWaalsContact C-N 3.3Å; Y298-G300 PolarHBondContact O-N 3.22Å; Y298-W301 PolarHBondContact N-O 2.99Å; Y298-W301 WeakPolarHBondContact O-CB 3.42Å; Y298-W301 PolarHBondContact O-N 3.22Å
299	S	89.4	Confident	91.3	Very high	90 Å²	90	65 Å²	65	63%	0.629	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	46.2	177.4	-64.5	0	0	0	0	113.4	D288 W301	D288-S299 PolarHBondContact OD2-N 3.45Å; S299-W301 PolarHBondContact O-N 3.41Å
300	G	90.4	Very high	90.9	Very high	29 Å²	29	70 Å²	70	30%	0.299	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	8.8	179.7	0	0	0	0	0	115.1	D288 Y298 S308	D288-G300 PolarHBondContact OD2-N 3.25Å; Y298-G300 VanDerWaalsContact C-N 3.3Å; Y298-G300 PolarHBondContact O-N 3.22Å; G300-S308 WeakPolarHBondContact O-CA 3.47Å; G300-S308 WeakPolarHBondContact O-CB 3.44Å
301	W	93.3	Very high	90.8	Very high	109 Å²	109	71.3 Å²	71.3	41%	0.413	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-116.1	130.3	-178.3	-176.5	-97.4	0	0	0	112.5	G297 Y298 S299 H303 K306	G297-W301 VanDerWaalsContact CA-O 3.25Å; G297-W301 WeakPolarHBondContact CA-O 3.44Å; Y298-W301 PolarHBondContact N-O 2.99Å; Y298-W301 WeakPolarHBondContact O-CB 3.42Å; Y298-W301 PolarHBondContact O-N 3.22Å; S299-W301 PolarHBondContact O-N 3.41Å; W301-H303 AromaticContact CD1-CE1 3.88Å; W301-H303 AromaticContact CD1-ND1 3.79Å; W301-H303 AromaticContact NE1-ND1 3.97Å; W301-K306 VanDerWaalsContact CH2-C 3.41Å; W301-K306 WeakPolarHBondContact CH2-O 3.43Å; W301-K306 HydrophobicContact CZ2-CB 3.95Å; W301-K306 WeakPolarHBondContact CZ2-O 3.19Å
302	C	92.6	Very high	90.8	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.007	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-92	113.6	170.7	-179.1	0	0	0	0	110.5	C290 C293 Y304 C305 K306 S307 V311	C290-C302 HydrophobicContact CB-CB 3.95Å; C293-C302 PolarHBondContact SG-SG 2.94Å; C302-Y304 VanDerWaalsContact C-N 3.3Å; C302-Y304 PolarHBondContact O-N 3.5Å; C302-C305 HydrophobicContact CB-CB 4.35Å; C302-C305 PolarHBondContact SG-N 3.15Å; C302-C305 VanDerWaalsContact SG-N 3.43Å; C302-K306 VanDerWaalsContact O-CA 3.23Å; C302-K306 WeakPolarHBondContact O-CA 3.06Å; C302-K306 PolarHBondContact O-N 2.86Å; C302-S307 WeakPolarHBondContact CB-O 3.3Å; C302-S307 PolarHBondContact N-O 2.95Å; C302-S307 VanDerWaalsContact N-O 3.14Å; C302-S307 PolarHBondContact O-N 2.92Å; C302-V311 HydrophobicContact CB-CG2 4.07Å
303	H	89.6	Confident	91	Very high	129 Å²	129	69.5 Å²	69.5	60%	0.597	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.7	178.8	-73.2	-74.3	0	0	0	113.8	W301	W301-H303 AromaticContact CD1-CE1 3.88Å; W301-H303 AromaticContact CD1-ND1 3.79Å; W301-H303 AromaticContact NE1-ND1 3.97Å
304	Y	90.3	Very high	91.1	Very high	157 Å²	157	72 Å²	72	62%	0.616	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-50.5	-179	-171.9	-93	0	0	0	112.1	C293 L295 C302 K306	C293-Y304 HydrophobicContact CB-CD1 4.04Å; L295-Y304 HydrophobicContact CD1-CD2 4.06Å; L295-Y304 HydrophobicContact CD1-CG 3.91Å; C302-Y304 VanDerWaalsContact C-N 3.3Å; C302-Y304 PolarHBondContact O-N 3.5Å; Y304-K306 VanDerWaalsContact C-N 3.31Å
305	C	89.6	Confident	91.2	Very high	44 Å²	44	77.7 Å²	77.7	30%	0.297	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10	178.9	-64	0	0	0	0	113.2	C302 S307	C302-C305 HydrophobicContact CB-CB 4.35Å; C302-C305 PolarHBondContact SG-N 3.15Å; C302-C305 VanDerWaalsContact SG-N 3.43Å; C305-S307 PolarHBondContact O-N 3.32Å
306	K	91.6	Very high	91.3	Very high	161 Å²	161	77.9 Å²	77.9	70%	0.7	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	43.5	-174.8	-58.8	-179.7	-179.3	178.6	0	112.4	W301 C302 Y304	W301-K306 VanDerWaalsContact CH2-C 3.41Å; W301-K306 WeakPolarHBondContact CH2-O 3.43Å; W301-K306 HydrophobicContact CZ2-CB 3.95Å; W301-K306 WeakPolarHBondContact CZ2-O 3.19Å; C302-K306 VanDerWaalsContact O-CA 3.23Å; C302-K306 WeakPolarHBondContact O-CA 3.06Å; C302-K306 PolarHBondContact O-N 2.86Å; Y304-K306 VanDerWaalsContact C-N 3.31Å
307	S	91.8	Very high	91.4	Very high	39 Å²	39	78 Å²	78	27%	0.273	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-149.6	150.4	-178.1	-176.8	0	0	0	0	111	C302 C305 C309	C302-S307 WeakPolarHBondContact CB-O 3.3Å; C302-S307 PolarHBondContact N-O 2.95Å; C302-S307 VanDerWaalsContact N-O 3.14Å; C302-S307 PolarHBondContact O-N 2.92Å; C305-S307 PolarHBondContact O-N 3.32Å; S307-C309 PolarHBondContact OG-N 3.12Å; S307-C309 PolarHBondContact OG-SG 3.37Å
308	S	90.3	Very high	91.7	Very high	74 Å²	74	78.4 Å²	78.4	52%	0.517	41%	0.409	S	S	.	.	S	Bend	trans	-98.6	-8.2	173.4	53.3	0	0	0	0	113.4	G300 H310 V311	G300-S308 WeakPolarHBondContact O-CA 3.47Å; G300-S308 WeakPolarHBondContact O-CB 3.44Å; S308-H310 VanDerWaalsContact C-N 3.34Å; S308-H310 PolarHBondContact O-N 2.97Å; S308-V311 PolarHBondContact O-N 3.35Å
309	C	86	Confident	91.9	Very high	86 Å²	86	72.4 Å²	72.4	58%	0.581	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-31	-167	59.8	0	0	0	0	115.3	S307	S307-C309 PolarHBondContact OG-N 3.12Å; S307-C309 PolarHBondContact OG-SG 3.37Å
310	H	86.8	Confident	92.2	Very high	105 Å²	105	70 Å²	70	49%	0.486	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	31.3	-177.7	-60.4	109.8	0	0	0	112.4	C290 G291 S308	C290-H310 CarbonylContact C-O 3.57Å; C290-H310 WeakPolarHBondContact CA-O 3.36Å; G291-H310 PolarHBondContact N-O 3.07Å; S308-H310 VanDerWaalsContact C-N 3.34Å; S308-H310 PolarHBondContact O-N 2.97Å
311	V	92	Very high	92.5	Very high	29 Å²	29	70.3 Å²	70.3	18%	0.176	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.5	179.4	-178.3	0	0	0	0	109.9	D288 C302 S308	D288-V311 HydrophobicContact CB-CG1 3.66Å; C302-V311 HydrophobicContact CB-CG2 4.07Å; S308-V311 PolarHBondContact O-N 3.35Å
312	S	91.4	Very high	92.7	Very high	62 Å²	62	66.2 Å²	66.2	43%	0.434	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.2	178.7	-58.4	0	0	0	0	110.3	V289	V289-S312 PolarHBondContact N-O 2.91Å; V289-S312 PolarHBondContact O-N 3.28Å
313	S	92.5	Very high	92.9	Very high	87 Å²	87	70.2 Å²	70.2	61%	0.608	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.9	176	-52.2	0	0	0	0	111	V287 D288	V287-S313 WeakPolarHBondContact O-CA 3.38Å; D288-S313 PolarHBondContact OD1-OG 3.06Å
314	L	92.8	Very high	93.2	Very high	62 Å²	62	65.5 Å²	65.5	33%	0.325	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148	-179.1	-65.1	168.2	0	0	0	109.7	E286 V287 V289 L338	E286-L314 WeakPolarHBondContact CA-O 3.34Å; V287-L314 PolarHBondContact N-O 3.43Å; V287-L314 PolarHBondContact O-N 3.04Å; V289-L314 HydrophobicContact CB-CD1 4.03Å; V289-L314 HydrophobicContact CG2-CD1 3.8Å; L314-L338 HydrophobicContact CD1-CD1 4.13Å; L314-L338 HydrophobicContact CD1-CD2 3.49Å; L314-L338 VanDerWaalsContact CD1-CD2 3.49Å; L314-L338 HydrophobicContact CD1-CG 4.47Å
315	R	94.6	Very high	93.4	Very high	123 Å²	123	62.2 Å²	62.2	46%	0.464	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.6	171.6	-156.3	175.9	70.8	-178	0	109	M279 F285 E286	M279-R315 HydrophobicContact CE-CB 3.81Å; M279-R315 HydrophobicContact CE-CG 3.61Å; M279-R315 WeakPolarHBondContact CE-O 3.25Å; F285-R315 WeakPolarHBondContact O-CA 3.28Å; E286-R315 HydrophobicContact CG-CG 4.36Å
316	I	95.1	Very high	93.8	Very high	28 Å²	28	64.7 Å²	64.7	14%	0.144	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	161.1	175.9	65	169.5	0	0	0	110.4	F285 V287 K321	F285-I316 PolarHBondContact N-O 3.12Å; F285-I316 PolarHBondContact O-N 2.96Å; V287-I316 HydrophobicContact CB-CD1 4.47Å; V287-I316 HydrophobicContact CB-CG1 4.47Å; V287-I316 HydrophobicContact CG1-CD1 3.65Å; V287-I316 HydrophobicContact CG1-CG1 3.7Å; I316-K321 HydrophobicContact CD1-CB 4.05Å
317	P	96.9	Very high	94	Very high	42 Å²	42	59 Å²	59	27%	0.273	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	136.5	167.9	-20.7	32.4	0	0	0	110.9	M279 A319 C320 K321	M279-P317 HydrophobicContact CB-CG 4.38Å; M279-P317 HydrophobicContact CG-CG 4.01Å; M279-P317 HydrophobicContact SD-CG 4.41Å; P317-A319 PolarHBondContact O-N 3.49Å; P317-C320 HydrophobicContact CB-CB 4.28Å; P317-C320 VanDerWaalsContact O-CB 3.28Å; P317-C320 WeakPolarHBondContact O-CB 3.11Å; P317-C320 PolarHBondContact O-N 3.37Å; P317-K321 PolarHBondContact O-N 2.86Å
318	Y	96.9	Very high	94.2	Very high	23 Å²	23	60.8 Å²	60.8	9%	0.09	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-35.2	177.6	-174.6	-90.4	0	0	0	112	L241 T242 R243 D283 F285 C320 K321 L322	L241-Y318 VanDerWaalsContact O-CE1 3.26Å; L241-Y318 WeakPolarHBondContact O-CE1 3.45Å; T242-Y318 WeakPolarHBondContact O-CD1 3.48Å; R243-Y318 HydrophobicContact CB-CD1 4Å; R243-Y318 HydrophobicContact CB-CE1 4.23Å; R243-Y318 HydrophobicContact CB-CG 4.2Å; R243-Y318 VanDerWaalsContact CD-CE2 3.47Å; R243-Y318 HydrophobicContact CG-CD1 4.07Å; R243-Y318 HydrophobicContact CG-CD2 4.41Å; R243-Y318 HydrophobicContact CG-CE1 3.81Å; R243-Y318 HydrophobicContact CG-CE2 4.15Å; R243-Y318 HydrophobicContact CG-CG 4.35Å; D283-Y318 WeakPolarHBondContact O-CB 3.39Å; D283-Y318 PolarHBondContact O-N 2.93Å; D283-Y318 PolarHBondContact OD2-N 2.95Å; F285-Y318 HydrophobicContact CB-CD2 4.12Å; F285-Y318 HydrophobicContact CD1-CD2 4.29Å; F285-Y318 AromaticContact CD2-CD2 3.77Å; F285-Y318 HydrophobicContact CD2-CD2 3.77Å; F285-Y318 HydrophobicContact CD2-CE2 4.34Å; F285-Y318 HydrophobicContact CE2-CD2 4.29Å; F285-Y318 HydrophobicContact CE2-CE2 4.42Å; F285-Y318 AromaticContact CG-CD2 3.78Å; F285-Y318 HydrophobicContact CG-CD2 3.78Å; Y318-C320 PolarHBondContact O-N 3.39Å; Y318-K321 HydrophobicContact CD2-CD 4.14Å; Y318-K321 HydrophobicContact CE2-CD 4.02Å; Y318-K321 WeakPolarHBondContact O-CB 3.25Å; Y318-K321 PolarHBondContact O-N 3.27Å; Y318-K321 VanDerWaalsContact O-N 3.14Å; Y318-L322 PolarHBondContact O-N 3.04Å
319	A	96.3	Very high	94.5	Very high	40 Å²	40	62 Å²	62	33%	0.331	34%	0.341	S	S	.	.	H	α-helix	trans	-56.5	-36.8	172.7	0	0	0	0	0	112.6	D283 P317 L322 L323	D283-A319 WeakPolarHBondContact OD2-CB 3.48Å; D283-A319 PolarHBondContact OD2-N 3.29Å; P317-A319 PolarHBondContact O-N 3.49Å; A319-L322 PolarHBondContact O-N 2.99Å; A319-L323 WeakPolarHBondContact O-CB 3.45Å; A319-L323 PolarHBondContact O-N 2.7Å
320	C	96.1	Very high	95	Very high	40 Å²	40	63.5 Å²	63.5	27%	0.27	34%	0.341	S	S	.	.	H	α-helix	trans	-69	-41.4	176.3	-173.3	0	0	0	0	111.7	P317 Y318 L322 L323 F324	P317-C320 HydrophobicContact CB-CB 4.28Å; P317-C320 VanDerWaalsContact O-CB 3.28Å; P317-C320 WeakPolarHBondContact O-CB 3.11Å; P317-C320 PolarHBondContact O-N 3.37Å; Y318-C320 PolarHBondContact O-N 3.39Å; C320-L322 VanDerWaalsContact C-N 3.33Å; C320-L322 PolarHBondContact O-N 3.28Å; C320-L323 WeakPolarHBondContact O-CB 3.23Å; C320-L323 PolarHBondContact O-N 2.82Å; C320-F324 WeakPolarHBondContact O-CG 3.44Å; C320-F324 PolarHBondContact O-N 3.43Å; C320-F324 WeakPolarHBondContact SG-CZ 3.45Å
321	K	95.8	Very high	95.4	Very high	35 Å²	35	65.3 Å²	65.3	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-57.3	-47.3	172.1	-176.8	-156.2	177	179.8	0	111.2	F285 L296 I316 P317 Y318 F324 Q325	F285-K321 HydrophobicContact CD1-CD 3.86Å; F285-K321 HydrophobicContact CE1-CD 3.63Å; F285-K321 HydrophobicContact CZ-CD 4.35Å; L296-K321 HydrophobicContact CD1-CG 3.91Å; I316-K321 HydrophobicContact CD1-CB 4.05Å; P317-K321 PolarHBondContact O-N 2.86Å; Y318-K321 HydrophobicContact CD2-CD 4.14Å; Y318-K321 HydrophobicContact CE2-CD 4.02Å; Y318-K321 WeakPolarHBondContact O-CB 3.25Å; Y318-K321 PolarHBondContact O-N 3.27Å; Y318-K321 VanDerWaalsContact O-N 3.14Å; K321-F324 PolarHBondContact O-N 3.27Å; K321-Q325 PolarHBondContact O-N 3.31Å
322	L	97	Very high	95.6	Very high	24 Å²	24	68.4 Å²	68.4	13%	0.126	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-44.3	-179.9	-175.5	62.7	0	0	0	111	L241 T242 Y318 A319 C320 F324 Q325 E326	L241-L322 HydrophobicContact CD1-CD2 4.48Å; L241-L322 HydrophobicContact CG-CD2 4.27Å; T242-L322 HydrophobicContact CG2-CD2 4.24Å; Y318-L322 PolarHBondContact O-N 3.04Å; A319-L322 PolarHBondContact O-N 2.99Å; C320-L322 VanDerWaalsContact C-N 3.33Å; C320-L322 PolarHBondContact O-N 3.28Å; L322-F324 VanDerWaalsContact C-N 3.3Å; L322-F324 PolarHBondContact O-N 2.85Å; L322-Q325 WeakPolarHBondContact O-CB 3.11Å; L322-Q325 PolarHBondContact O-N 3.21Å; L322-E326 WeakPolarHBondContact O-CG 3.23Å; L322-E326 PolarHBondContact O-N 3.14Å
323	L	97.3	Very high	95.8	Very high	85 Å²	85	69.8 Å²	69.8	45%	0.445	37%	0.37	S	S	.	.	H	α-helix	trans	-55.3	-43.6	174.3	176.6	65.2	0	0	0	112.2	A319 C320 Q325 E326 L327	A319-L323 WeakPolarHBondContact O-CB 3.45Å; A319-L323 PolarHBondContact O-N 2.7Å; C320-L323 WeakPolarHBondContact O-CB 3.23Å; C320-L323 PolarHBondContact O-N 2.82Å; L323-Q325 VanDerWaalsContact C-N 3.31Å; L323-Q325 PolarHBondContact O-N 3.49Å; L323-E326 PolarHBondContact O-N 2.77Å; L323-L327 HydrophobicContact CD1-CD1 4.41Å; L323-L327 HydrophobicContact CD1-CG 4.34Å; L323-L327 HydrophobicContact CG-CD1 4.21Å; L323-L327 WeakPolarHBondContact O-CG 3.33Å; L323-L327 PolarHBondContact O-N 3.38Å
324	F	96.1	Very high	95.9	Very high	30 Å²	30	66.9 Å²	66.9	13%	0.132	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-37.8	176.9	-64.4	-23.1	0	0	0	112.8	L296 C320 K321 L322 Q328 P334 L336	L296-F324 HydrophobicContact CD1-CB 4.47Å; L296-F324 HydrophobicContact CD1-CD2 4.33Å; L296-F324 HydrophobicContact CD2-CD2 4.46Å; C320-F324 WeakPolarHBondContact O-CG 3.44Å; C320-F324 PolarHBondContact O-N 3.43Å; C320-F324 WeakPolarHBondContact SG-CZ 3.45Å; K321-F324 PolarHBondContact O-N 3.27Å; L322-F324 VanDerWaalsContact C-N 3.3Å; L322-F324 PolarHBondContact O-N 2.85Å; F324-Q328 VanDerWaalsContact O-CG 3.24Å; F324-Q328 WeakPolarHBondContact O-CG 3.42Å; F324-Q328 PolarHBondContact O-N 3.47Å; F324-P334 HydrophobicContact CB-CG 3.93Å; F324-P334 HydrophobicContact CD1-CB 3.9Å; F324-P334 HydrophobicContact CD1-CG 3.8Å; F324-P334 HydrophobicContact CE1-CB 4.26Å; F324-P334 HydrophobicContact CG-CB 4.48Å; F324-P334 HydrophobicContact CG-CG 4.04Å; F324-L336 HydrophobicContact CE2-CD1 4.07Å; F324-L336 HydrophobicContact CE2-CD2 3.99Å; F324-L336 HydrophobicContact CE2-CG 4.35Å; F324-L336 HydrophobicContact CZ-CD2 3.87Å
325	Q	95.1	Very high	95.9	Very high	87 Å²	87	69.5 Å²	69.5	41%	0.407	36%	0.355	S	S	.	.	H	α-helix	trans	-69.2	-38.8	176.7	-66.3	-178.3	-45.8	0	0	111.8	K321 L322 L323 Q328 S329	K321-Q325 PolarHBondContact O-N 3.31Å; L322-Q325 WeakPolarHBondContact O-CB 3.11Å; L322-Q325 PolarHBondContact O-N 3.21Å; L323-Q325 VanDerWaalsContact C-N 3.31Å; L323-Q325 PolarHBondContact O-N 3.49Å; Q325-Q328 PolarHBondContact O-N 2.88Å; Q325-S329 PolarHBondContact O-N 3.42Å
326	E	97.3	Very high	95.9	Very high	96 Å²	96	66 Å²	66	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-44.6	174.3	-71.5	177.4	175.6	0	0	111.4	L322 L323 Q328 S329 M330	L322-E326 WeakPolarHBondContact O-CG 3.23Å; L322-E326 PolarHBondContact O-N 3.14Å; L323-E326 PolarHBondContact O-N 2.77Å; E326-Q328 VanDerWaalsContact C-N 3.35Å; E326-Q328 PolarHBondContact O-N 3Å; E326-S329 WeakPolarHBondContact O-CB 3.14Å; E326-S329 PolarHBondContact O-N 3.35Å; E326-S329 PolarHBondContact O-OG 2.91Å; E326-M330 PolarHBondContact O-N 2.81Å
327	L	97.3	Very high	95.8	Very high	42 Å²	42	74.5 Å²	74.5	22%	0.22	38%	0.381	C	S	.	.	H	α-helix	trans	-59.9	-43.6	174.8	-71.6	172.5	0	0	0	112.1	L323 S329 M330 N331 I332 P334	L323-L327 HydrophobicContact CD1-CD1 4.41Å; L323-L327 HydrophobicContact CD1-CG 4.34Å; L323-L327 HydrophobicContact CG-CD1 4.21Å; L323-L327 WeakPolarHBondContact O-CG 3.33Å; L323-L327 PolarHBondContact O-N 3.38Å; L327-S329 VanDerWaalsContact C-N 3.27Å; L327-S329 PolarHBondContact O-N 2.86Å; L327-M330 HydrophobicContact CD2-CE 3.97Å; L327-M330 CarbonylContact O-C 3.53Å; L327-M330 WeakPolarHBondContact O-CA 3.17Å; L327-M330 PolarHBondContact O-N 3.24Å; L327-N331 PolarHBondContact O-N 2.77Å; L327-I332 CarbonylContact C-O 3.17Å; L327-I332 HydrophobicContact CB-CB 4.3Å; L327-I332 HydrophobicContact CB-CG2 4.48Å; L327-I332 HydrophobicContact CD2-CB 4.46Å; L327-I332 HydrophobicContact CD2-CD1 4.26Å; L327-I332 HydrophobicContact CD2-CG2 4.4Å; L327-I332 PolarHBondContact O-N 2.84Å; L327-P334 HydrophobicContact CB-CG 4.38Å; L327-P334 HydrophobicContact CD1-CG 4.37Å
328	Q	94.6	Very high	95.6	Very high	76 Å²	76	75.7 Å²	75.7	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-36.2	176.9	-74.9	172.5	3	0	0	112.2	F324 Q325 E326 M330 N331 I332	F324-Q328 VanDerWaalsContact O-CG 3.24Å; F324-Q328 WeakPolarHBondContact O-CG 3.42Å; F324-Q328 PolarHBondContact O-N 3.47Å; Q325-Q328 PolarHBondContact O-N 2.88Å; E326-Q328 VanDerWaalsContact C-N 3.35Å; E326-Q328 PolarHBondContact O-N 3Å; Q328-M330 PolarHBondContact O-N 3.38Å; Q328-N331 PolarHBondContact O-N 2.89Å; Q328-N331 VanDerWaalsContact O-N 3.11Å; Q328-I332 VanDerWaalsContact CA-O 3.3Å; Q328-I332 WeakPolarHBondContact CA-O 3.38Å; Q328-I332 PolarHBondContact N-O 3.33Å
329	S	96.3	Very high	95.3	Very high	99 Å²	99	79.7 Å²	79.7	69%	0.692	42%	0.416	S	S	*	.	H	α-helix	trans	-65.4	-25.6	175.4	78	0	0	0	0	113.1	Q325 E326 L327 N331	Q325-S329 PolarHBondContact O-N 3.42Å; E326-S329 WeakPolarHBondContact O-CB 3.14Å; E326-S329 PolarHBondContact O-N 3.35Å; E326-S329 PolarHBondContact O-OG 2.91Å; L327-S329 VanDerWaalsContact C-N 3.27Å; L327-S329 PolarHBondContact O-N 2.86Å; S329-N331 VanDerWaalsContact C-N 3.31Å
330	M	97.3	Very high	94.9	Very high	118 Å²	118	84.3 Å²	84.3	58%	0.581	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	15.3	175.1	-63.9	-176	-72.7	0	0	113.2	E326 L327 Q328 I332	E326-M330 PolarHBondContact O-N 2.81Å; L327-M330 HydrophobicContact CD2-CE 3.97Å; L327-M330 CarbonylContact O-C 3.53Å; L327-M330 WeakPolarHBondContact O-CA 3.17Å; L327-M330 PolarHBondContact O-N 3.24Å; Q328-M330 PolarHBondContact O-N 3.38Å; M330-I332 PolarHBondContact O-N 3.27Å
331	N	95.5	Very high	94.3	Very high	144 Å²	144	93 Å²	93	77%	0.77	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	23	-177.7	-161.5	33.4	0	0	0	114.4	L327 Q328 S329	L327-N331 PolarHBondContact O-N 2.77Å; Q328-N331 PolarHBondContact O-N 2.89Å; Q328-N331 VanDerWaalsContact O-N 3.11Å; S329-N331 VanDerWaalsContact C-N 3.31Å
332	I	96.5	Very high	93.7	Very high	94 Å²	94	98.7 Å²	98.7	48%	0.482	49%	0.49	S	S	.	.			trans	-102.4	122.1	170.8	-59.7	174.1	0	0	0	107.5	L327 Q328 M330 P334	L327-I332 CarbonylContact C-O 3.17Å; L327-I332 HydrophobicContact CB-CB 4.3Å; L327-I332 HydrophobicContact CB-CG2 4.48Å; L327-I332 HydrophobicContact CD2-CB 4.46Å; L327-I332 HydrophobicContact CD2-CD1 4.26Å; L327-I332 HydrophobicContact CD2-CG2 4.4Å; L327-I332 PolarHBondContact O-N 2.84Å; Q328-I332 VanDerWaalsContact CA-O 3.3Å; Q328-I332 WeakPolarHBondContact CA-O 3.38Å; Q328-I332 PolarHBondContact N-O 3.33Å; M330-I332 PolarHBondContact O-N 3.27Å; I332-P334 WeakPolarHBondContact O-CD 3.38Å
333	I	94	Very high	91.8	Very high	90 Å²	90	106.2 Å²	106.2	46%	0.462	52%	0.524	S	S	.	.			trans	-103.8	96.7	-174.8	-55.5	175.9	0	0	0	110.1	L295 R335	L295-I333 HydrophobicContact CD2-CG2 3.7Å; I333-R335 HydrophobicContact CG2-CG 4Å; I333-R335 PolarHBondContact O-N 3Å
334	P	94.8	Very high	91.5	Very high	26 Å²	26	107.3 Å²	107.3	17%	0.169	53%	0.528	C	S	.	.			trans	-71.4	115	171.7	29.3	-33.3	0	0	0	109.6	F324 L327 I332	F324-P334 HydrophobicContact CB-CG 3.93Å; F324-P334 HydrophobicContact CD1-CB 3.9Å; F324-P334 HydrophobicContact CD1-CG 3.8Å; F324-P334 HydrophobicContact CE1-CB 4.26Å; F324-P334 HydrophobicContact CG-CB 4.48Å; F324-P334 HydrophobicContact CG-CG 4.04Å; L327-P334 HydrophobicContact CB-CG 4.38Å; L327-P334 HydrophobicContact CD1-CG 4.37Å; I332-P334 WeakPolarHBondContact O-CD 3.38Å
335	R	94.3	Very high	91.3	Very high	118 Å²	118	111.4 Å²	111.4	45%	0.445	55%	0.549	S	S	.	.			trans	-105.2	117.5	175.7	-64	-173.8	-178	-87.4	2	110.2	C293 I333	C293-R335 PolarHBondContact O-NH1 3.24Å; I333-R335 HydrophobicContact CG2-CG 4Å; I333-R335 PolarHBondContact O-N 3Å
336	L	94.2	Very high	91.1	Very high	49 Å²	49	112.7 Å²	112.7	26%	0.257	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-76.8	129.9	176.1	-63.1	174.6	0	0	0	110.4	V289 G294 L296 F324 L338	V289-L336 HydrophobicContact CG1-CB 4.07Å; V289-L336 HydrophobicContact CG1-CD1 3.84Å; V289-L336 HydrophobicContact CG2-CD1 3.92Å; G294-L336 WeakPolarHBondContact CA-O 3.47Å; G294-L336 PolarHBondContact O-N 3.3Å; L296-L336 HydrophobicContact CD2-CD1 4.14Å; F324-L336 HydrophobicContact CE2-CD1 4.07Å; F324-L336 HydrophobicContact CE2-CD2 3.99Å; F324-L336 HydrophobicContact CE2-CG 4.35Å; F324-L336 HydrophobicContact CZ-CD2 3.87Å; L336-L338 HydrophobicContact CB-CD2 4.26Å
337	K	93.1	Very high	90.7	Very high	207 Å²	207	113.7 Å²	113.7	90%	0.9	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-97.7	121.9	167.7	-67.8	-175.3	180	-179.2	0	108.1
338	L	91.6	Very high	90.3	Very high	66 Å²	66	118.2 Å²	118.2	35%	0.346	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-101.1	137.2	-178.6	-53.4	-175.6	0	0	0	109.6	V289 L314 L336	V289-L338 HydrophobicContact CB-CD1 4.14Å; V289-L338 HydrophobicContact CG1-CD1 3.99Å; V289-L338 HydrophobicContact CG1-CD2 4.32Å; V289-L338 HydrophobicContact CG1-CG 4.41Å; L314-L338 HydrophobicContact CD1-CD1 4.13Å; L314-L338 HydrophobicContact CD1-CD2 3.49Å; L314-L338 VanDerWaalsContact CD1-CD2 3.49Å; L314-L338 HydrophobicContact CD1-CG 4.47Å; L336-L338 HydrophobicContact CB-CD2 4.26Å
339	S	90.9	Very high	90	Very high	108 Å²	108	121 Å²	121	76%	0.755	60%	0.6	S	S	*	*			trans	-127.3	157.1	168.3	60.6	0	0	0	0	109
340	K	88	Confident	89.6	Confident	137 Å²	137	122.6 Å²	122.6	60%	0.596	59%	0.594	S	S	*	*			trans	-76.5	145.6	172.4	-61.4	-171	-157.7	133.6	0	109	N342 E343	K340-N342 VanDerWaalsContact C-N 3.27Å; K340-N342 PolarHBondContact O-N 3.45Å; K340-E343 HydrophobicContact CB-CB 4.36Å; K340-E343 HydrophobicContact CB-CG 4.13Å; K340-E343 WeakPolarHBondContact CD-OE1 3.41Å; K340-E343 IonicContact NZ-OE1 2.78Å; K340-E343 PolarHBondContact NZ-OE1 2.78Å
341	Y	84	Confident	89	Confident	222 Å²	222	122.9 Å²	122.9	87%	0.871	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-25.7	178.6	-178.5	-101.4	0	0	0	113
342	N	83.1	Confident	88.5	Confident	155 Å²	155	121.2 Å²	121.2	83%	0.829	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	5.4	-176.7	-62.9	-4.5	0	0	0	113.4	K340	K340-N342 VanDerWaalsContact C-N 3.27Å; K340-N342 PolarHBondContact O-N 3.45Å
343	E	56.9	Low	87.7	Confident	182 Å²	182	123.6 Å²	123.6	85%	0.85	59%	0.589	S	S	*	*			trans	-107.4	0	175.3	-73.8	172.5	-173.6	0	0	109.2	K340	K340-E343 HydrophobicContact CB-CB 4.36Å; K340-E343 HydrophobicContact CB-CG 4.13Å; K340-E343 WeakPolarHBondContact CD-OE1 3.41Å; K340-E343 IonicContact NZ-OE1 2.78Å; K340-E343 PolarHBondContact NZ-OE1 2.78Å

Retrieved 343 of 343 residues in 470.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).