A0A077ZA38_TRITR Loading...

E2 NEDD8-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A077ZA38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 182 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.7	Very low	70.7	Confident	179 Å²	179	82.5 Å²	82.5	88%	0.882	39%	0.393	S	S	*	.				0	128.4	0	-77.1	-150.4	-82.9	0	0	109.3	E53	M1-E53 WeakPolarHBondContact CE-OE1 3.33Å; M1-E53 WeakPolarHBondContact CE-OE2 3.27Å; M1-E53 HydrophobicContact SD-CB 4.49Å; M1-E53 HydrophobicContact SD-CG 4.44Å
2	L	55.5	Low	70.8	Confident	57 Å²	57	90.3 Å²	90.3	30%	0.298	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-83.3	129.2	174.8	-117.4	96.5	0	0	0	109.2	K6 K7 E10	L2-K6 HydrophobicContact CD2-CB 4.49Å; L2-K6 HydrophobicContact CD2-CG 4.3Å; L2-K6 HydrophobicContact CG-CD 4.31Å; L2-K6 HydrophobicContact CG-CG 4.46Å; L2-K7 HydrophobicContact CD2-CB 3.89Å; L2-K7 HydrophobicContact CD2-CG 4.38Å; L2-E10 WeakPolarHBondContact CD2-OE2 3.36Å
3	N	73.8	Confident	70.8	Confident	90 Å²	90	90.8 Å²	90.8	48%	0.481	42%	0.418	S	S	.	.			trans	-78.1	156.2	169.6	97.2	5.7	0	0	0	110	Q5 K6 K7	N3-Q5 VanDerWaalsContact C-N 3.34Å; N3-Q5 PolarHBondContact O-N 3.1Å; N3-Q5 WeakPolarHBondContact OD1-CA 3.36Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.46Å; N3-Q5 PolarHBondContact OD1-N 2.66Å; N3-K6 PolarHBondContact O-N 3.19Å; N3-K6 PolarHBondContact OD1-N 2.97Å; N3-K7 PolarHBondContact O-N 3.13Å
4	L	72.2	Confident	70.6	Confident	16 Å²	16	93.3 Å²	93.3	8%	0.084	43%	0.427	C	S	.	.	H	α-helix	trans	-57.6	-41.4	-176.8	174.6	49.8	0	0	0	113.2	K6 K7 L8 V39 L42 P43 F54	L4-K6 PolarHBondContact O-N 3.24Å; L4-K7 PolarHBondContact O-N 3.01Å; L4-L8 HydrophobicContact CD1-CD1 4.14Å; L4-L8 HydrophobicContact CD1-CG 4.04Å; L4-L8 HydrophobicContact CG-CD1 4.39Å; L4-L8 WeakPolarHBondContact O-CG 3.33Å; L4-L8 PolarHBondContact O-N 3.29Å; L4-V39 HydrophobicContact CD1-CG1 3.31Å; L4-V39 HydrophobicContact CD2-CG1 4.49Å; L4-L42 HydrophobicContact CD2-CB 4.38Å; L4-P43 HydrophobicContact CD2-CG 3.54Å; L4-P43 HydrophobicContact CG-CG 4.18Å; L4-F54 HydrophobicContact CD1-CD2 4.37Å; L4-F54 HydrophobicContact CD1-CE2 3.8Å
5	Q	74.1	Confident	69.9	Low	144 Å²	144	93.1 Å²	93.1	67%	0.673	43%	0.427	S	S	*	.	H	α-helix	trans	-63.5	-41	178.1	-67.5	178.8	-26.3	0	0	112.6	N3 K7 L8 K9	N3-Q5 VanDerWaalsContact C-N 3.34Å; N3-Q5 PolarHBondContact O-N 3.1Å; N3-Q5 WeakPolarHBondContact OD1-CA 3.36Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.46Å; N3-Q5 PolarHBondContact OD1-N 2.66Å; Q5-K7 VanDerWaalsContact C-N 3.33Å; Q5-L8 PolarHBondContact O-N 2.6Å; Q5-K9 PolarHBondContact O-N 3.25Å
6	K	74.7	Confident	69.2	Low	118 Å²	118	94 Å²	94	51%	0.513	44%	0.436	S	S	.	.	H	α-helix	trans	-64.4	-39.9	175.8	-171.8	173.9	176.2	-179	0	110.8	L2 N3 L4 K9 E10	L2-K6 HydrophobicContact CD2-CB 4.49Å; L2-K6 HydrophobicContact CD2-CG 4.3Å; L2-K6 HydrophobicContact CG-CD 4.31Å; L2-K6 HydrophobicContact CG-CG 4.46Å; N3-K6 PolarHBondContact O-N 3.19Å; N3-K6 PolarHBondContact OD1-N 2.97Å; L4-K6 PolarHBondContact O-N 3.24Å; K6-K9 PolarHBondContact O-N 3.49Å; K6-E10 WeakPolarHBondContact CE-OE1 3.22Å; K6-E10 WeakPolarHBondContact O-CG 3.46Å; K6-E10 PolarHBondContact O-N 3.39Å
7	K	75.8	Confident	68.4	Low	7 Å²	7	96.9 Å²	96.9	3%	0.03	45%	0.45	C	S	.	.	H	α-helix	trans	-64.4	-43.2	176.7	-168.9	169.3	180	177	0	112.5	L2 N3 L4 Q5 K9 E10 Q11 F54 G56 S57 A58 F59	L2-K7 HydrophobicContact CD2-CB 3.89Å; L2-K7 HydrophobicContact CD2-CG 4.38Å; N3-K7 PolarHBondContact O-N 3.13Å; L4-K7 PolarHBondContact O-N 3.01Å; Q5-K7 VanDerWaalsContact C-N 3.33Å; K7-K9 VanDerWaalsContact C-N 3.28Å; K7-K9 PolarHBondContact O-N 3.03Å; K7-E10 PolarHBondContact O-N 3.29Å; K7-Q11 PolarHBondContact O-N 3.44Å; K7-Q11 VanDerWaalsContact O-N 3.11Å; K7-F54 HydrophobicContact CD-CB 3.68Å; K7-F54 HydrophobicContact CD-CD1 4.3Å; K7-F54 HydrophobicContact CD-CD2 4.1Å; K7-F54 HydrophobicContact CD-CG 3.75Å; K7-F54 VanDerWaalsContact NZ-CB 3.34Å; K7-G56 WeakPolarHBondContact CE-O 3.36Å; K7-G56 PolarHBondContact NZ-O 2.85Å; K7-S57 WeakPolarHBondContact CE-O 3.35Å; K7-S57 PolarHBondContact NZ-O 2.96Å; K7-A58 PolarHBondContact NZ-O 2.85Å; K7-F59 HydrophobicContact CD-CD1 4.26Å; K7-F59 HydrophobicContact CD-CE1 3.72Å; K7-F59 HydrophobicContact CG-CE1 4.04Å
8	L	77.5	Confident	67.5	Low	34 Å²	34	99.6 Å²	99.6	18%	0.178	46%	0.463	C	S	.	.	H	α-helix	trans	-62.9	-36.6	175.8	-69.7	174.9	0	0	0	112	L4 Q5 R12 Q40	L4-L8 HydrophobicContact CD1-CD1 4.14Å; L4-L8 HydrophobicContact CD1-CG 4.04Å; L4-L8 HydrophobicContact CG-CD1 4.39Å; L4-L8 WeakPolarHBondContact O-CG 3.33Å; L4-L8 PolarHBondContact O-N 3.29Å; Q5-L8 PolarHBondContact O-N 2.6Å; L8-R12 PolarHBondContact O-N 3.15Å; L8-R12 VanDerWaalsContact O-N 3.13Å; L8-Q40 HydrophobicContact CD1-CG 4.12Å; L8-Q40 HydrophobicContact CD2-CG 3.38Å; L8-Q40 HydrophobicContact CG-CG 4.38Å
9	K	76.6	Confident	66.7	Low	135 Å²	135	105.5 Å²	105.5	59%	0.587	48%	0.48	S	S	*	.	H	α-helix	trans	-68.1	-49.5	176.1	-169.6	179.3	176.2	-172.7	0	112.2	Q5 K6 K7 Q11 R12 E13	Q5-K9 PolarHBondContact O-N 3.25Å; K6-K9 PolarHBondContact O-N 3.49Å; K7-K9 VanDerWaalsContact C-N 3.28Å; K7-K9 PolarHBondContact O-N 3.03Å; K9-Q11 PolarHBondContact O-N 3.47Å; K9-R12 PolarHBondContact O-N 3.35Å; K9-R12 VanDerWaalsContact O-N 3.11Å; K9-E13 WeakPolarHBondContact CE-OE1 3.49Å; K9-E13 WeakPolarHBondContact O-CG 3.38Å; K9-E13 PolarHBondContact O-N 3.37Å
10	E	78.2	Confident	65.9	Low	65 Å²	65	107 Å²	107	30%	0.304	50%	0.497	S	S	.	.	H	α-helix	trans	-59.4	-34.6	178.7	-74.7	176.3	-168.6	0	0	112.4	L2 K6 K7 K14	L2-E10 WeakPolarHBondContact CD2-OE2 3.36Å; K6-E10 WeakPolarHBondContact CE-OE1 3.22Å; K6-E10 WeakPolarHBondContact O-CG 3.46Å; K6-E10 PolarHBondContact O-N 3.39Å; K7-E10 PolarHBondContact O-N 3.29Å; E10-K14 WeakPolarHBondContact O-CG 3.44Å; E10-K14 PolarHBondContact O-N 3.05Å; E10-K14 VanDerWaalsContact O-N 3.07Å
11	Q	70.2	Confident	64.5	Low	62 Å²	62	104.3 Å²	104.3	29%	0.29	50%	0.499	S	S	.	.	H	α-helix	trans	-75.1	-36.4	174.5	-87.2	-153.7	-14.6	0	0	114.1	K7 K9 E13 K14 Q15 F59	K7-Q11 PolarHBondContact O-N 3.44Å; K7-Q11 VanDerWaalsContact O-N 3.11Å; K9-Q11 PolarHBondContact O-N 3.47Å; Q11-E13 VanDerWaalsContact C-N 3.26Å; Q11-E13 PolarHBondContact O-N 3.37Å; Q11-K14 PolarHBondContact O-N 3.03Å; Q11-Q15 WeakPolarHBondContact O-CB 3.29Å; Q11-Q15 PolarHBondContact O-N 3.28Å; Q11-F59 VanDerWaalsContact CD-CE2 3.41Å; Q11-F59 VanDerWaalsContact CD-CZ 3.47Å; Q11-F59 HydrophobicContact CG-CZ 4.4Å
12	R	71.1	Confident	63.8	Low	177 Å²	177	98.9 Å²	98.9	67%	0.668	49%	0.489	S	S	*	.	H	α-helix	trans	-61.5	-38.6	172.3	-85.8	-176.6	169.6	-172.4	-1.6	111.3	L8 K9 Q15 N16	L8-R12 PolarHBondContact O-N 3.15Å; L8-R12 VanDerWaalsContact O-N 3.13Å; K9-R12 PolarHBondContact O-N 3.35Å; K9-R12 VanDerWaalsContact O-N 3.11Å; R12-Q15 PolarHBondContact O-N 2.81Å; R12-N16 PolarHBondContact O-N 3.31Å
13	E	71.6	Confident	62.8	Low	96 Å²	96	104.6 Å²	104.6	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-47	175	-71.7	168.9	176.3	0	0	110.8	K9 Q11 Q15 N16 E17	K9-E13 WeakPolarHBondContact CE-OE1 3.49Å; K9-E13 WeakPolarHBondContact O-CG 3.38Å; K9-E13 PolarHBondContact O-N 3.37Å; Q11-E13 VanDerWaalsContact C-N 3.26Å; Q11-E13 PolarHBondContact O-N 3.37Å; E13-Q15 PolarHBondContact O-N 3.24Å; E13-N16 PolarHBondContact O-N 3.14Å; E13-E17 PolarHBondContact O-N 3.47Å
14	K	67.9	Low	61.1	Low	126 Å²	126	105.4 Å²	105.4	55%	0.548	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-37.7	175.3	-74.2	178.1	178.6	-176.7	0	114.2	E10 Q11 E17 Q18	E10-K14 WeakPolarHBondContact O-CG 3.44Å; E10-K14 PolarHBondContact O-N 3.05Å; E10-K14 VanDerWaalsContact O-N 3.07Å; Q11-K14 PolarHBondContact O-N 3.03Å; K14-E17 PolarHBondContact O-N 3.5Å; K14-Q18 PolarHBondContact O-N 2.93Å
15	Q	60.5	Low	59.9	Low	91 Å²	91	116.3 Å²	116.3	43%	0.425	57%	0.573	S	S	.	*	H	α-helix	trans	-67.4	-35.3	174.8	-89.6	-175.5	-2.9	0	0	112.3	Q11 R12 E13 R19	Q11-Q15 WeakPolarHBondContact O-CB 3.29Å; Q11-Q15 PolarHBondContact O-N 3.28Å; R12-Q15 PolarHBondContact O-N 2.81Å; E13-Q15 PolarHBondContact O-N 3.24Å; Q15-R19 PolarHBondContact O-N 3.2Å
16	N	57.8	Low	58.7	Low	107 Å²	107	115.6 Å²	115.6	57%	0.572	57%	0.573	S	S	*	*	H	α-helix	trans	-70.5	-35.4	175	-90.5	-3	0	0	0	112.2	R12 E13 R19	R12-N16 PolarHBondContact O-N 3.31Å; E13-N16 PolarHBondContact O-N 3.14Å; N16-R19 PolarHBondContact O-N 2.99Å
17	E	56.2	Low	57.7	Low	144 Å²	144	113.7 Å²	113.7	67%	0.673	59%	0.587	S	S	*	*	H	α-helix	trans	-67	-39.2	173.8	-72.9	176	164.4	0	0	112.2	E13 K14 R19 V20	E13-E17 PolarHBondContact O-N 3.47Å; K14-E17 PolarHBondContact O-N 3.5Å; E17-R19 VanDerWaalsContact C-N 3.29Å; E17-R19 PolarHBondContact O-N 3.44Å; E17-V20 PolarHBondContact O-N 3.16Å
18	Q	52.7	Low	57.4	Low	145 Å²	145	114.9 Å²	114.9	68%	0.678	60%	0.596	S	S	*	*	H	α-helix	trans	-68.4	-23.5	176.8	-78.1	179.6	-16.3	0	0	113.8	K14 V20 G21	K14-Q18 PolarHBondContact O-N 2.93Å; Q18-V20 PolarHBondContact O-N 3.08Å; Q18-G21 PolarHBondContact O-N 2.84Å
19	R	50.7	Low	58	Low	211 Å²	211	115.4 Å²	115.4	80%	0.796	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-14.6	177.5	-83.1	179.9	171	-164.8	-3	114.3	Q15 N16 E17	Q15-R19 PolarHBondContact O-N 3.2Å; N16-R19 PolarHBondContact O-N 2.99Å; E17-R19 VanDerWaalsContact C-N 3.29Å; E17-R19 PolarHBondContact O-N 3.44Å
20	V	51.5	Low	58.7	Low	135 Å²	135	113.9 Å²	113.9	82%	0.818	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-11.6	178.7	-173.3	0	0	0	0	112.1	E17 Q18	E17-V20 PolarHBondContact O-N 3.16Å; Q18-V20 PolarHBondContact O-N 3.08Å
21	G	36.8	Very low	59.5	Low	51 Å²	51	112.4 Å²	112.4	53%	0.526	59%	0.592	S	S	.	*	S	Bend	trans	-127.8	104.7	-178.1	0	0	0	0	0	113.2	Q18	Q18-G21 PolarHBondContact O-N 2.84Å
22	G	34.9	Very low	60.6	Low	66 Å²	66	111.7 Å²	111.7	68%	0.68	59%	0.59	S	S	*	*			trans	47.1	105.5	149.6	0	0	0	0	0	118.6	S24	G22-S24 VanDerWaalsContact C-N 3.29Å; G22-S24 PolarHBondContact O-N 3.4Å; G22-S24 PolarHBondContact O-OG 2.82Å
23	N	34.4	Very low	61.6	Low	177 Å²	177	109.4 Å²	109.4	95%	0.947	58%	0.582	S	S	*	*			trans	-4.2	66.4	155.3	-126.1	15.1	0	0	0	117.4	R25	N23-R25 PolarHBondContact O-N 3.2Å
24	S	38.2	Very low	62.8	Low	107 Å²	107	107.4 Å²	107.4	75%	0.748	57%	0.573	S	S	*	*			trans	-85.4	108.1	163.3	-62.1	0	0	0	0	105.3	G22 D26	G22-S24 VanDerWaalsContact C-N 3.29Å; G22-S24 PolarHBondContact O-N 3.4Å; G22-S24 PolarHBondContact O-OG 2.82Å; S24-D26 PolarHBondContact O-N 2.88Å
25	R	45.9	Very low	64.1	Low	244 Å²	244	101.4 Å²	101.4	92%	0.921	55%	0.547	S	S	*	.			trans	-44.1	118.5	169.7	-72.6	176.1	173.8	171.7	-2.1	107.1	N23 G27	N23-R25 PolarHBondContact O-N 3.2Å; R25-G27 PolarHBondContact O-N 3.41Å
26	D	50.5	Low	65.5	Low	129 Å²	129	99.5 Å²	99.5	69%	0.69	54%	0.539	S	S	*	.			trans	-56.6	89.5	-179	-178.1	20.6	0	0	0	108.9	S24 S28	S24-D26 PolarHBondContact O-N 2.88Å; D26-S28 PolarHBondContact O-N 3.12Å; D26-S28 VanDerWaalsContact O-N 3.09Å; D26-S28 WeakPolarHBondContact OD1-CB 3.42Å
27	G	52.4	Low	67.2	Low	78 Å²	78	98 Å²	98	80%	0.804	53%	0.534	S	S	*	.			trans	-76.2	15.4	-177.5	0	0	0	0	0	112.4	R25 S29	R25-G27 PolarHBondContact O-N 3.41Å; G27-S29 PolarHBondContact O-N 3.32Å
28	S	70.9	Confident	69	Low	32 Å²	32	92.8 Å²	92.8	22%	0.224	51%	0.51	C	S	.	.			trans	-60.7	116	176.4	-177.8	0	0	0	0	109.6	D26 R33	D26-S28 PolarHBondContact O-N 3.12Å; D26-S28 VanDerWaalsContact O-N 3.09Å; D26-S28 WeakPolarHBondContact OD1-CB 3.42Å; S28-R33 PolarHBondContact O-NE 3.03Å; S28-R33 PolarHBondContact O-NH2 3.29Å; S28-R33 WeakPolarHBondContact OG-CG 3.44Å
29	S	88.8	Confident	70.9	Confident	45 Å²	45	85.9 Å²	85.9	32%	0.315	48%	0.478	S	S	.	.			trans	-54.4	154.4	178.1	72.7	0	0	0	0	110.2	G27 R31 D32 R33	G27-S29 PolarHBondContact O-N 3.32Å; S29-R31 PolarHBondContact O-N 3.28Å; S29-D32 PolarHBondContact O-N 3.43Å; S29-D32 PolarHBondContact OG-N 2.92Å; S29-D32 VanDerWaalsContact OG-N 3.14Å; S29-D32 PolarHBondContact OG-OD2 3.33Å; S29-R33 PolarHBondContact O-N 2.96Å
30	I	92	Very high	72.7	Confident	104 Å²	104	79.8 Å²	79.8	53%	0.533	46%	0.458	S	S	.	.	H	α-helix	trans	-53.5	-43.6	177.7	-66	172.1	0	0	0	109.8	D32 R33 L34	I30-D32 PolarHBondContact O-N 3.27Å; I30-R33 PolarHBondContact O-N 3.39Å; I30-L34 HydrophobicContact CG2-CD1 3.96Å; I30-L34 HydrophobicContact CG2-CG 4.39Å; I30-L34 WeakPolarHBondContact O-CG 3.31Å; I30-L34 PolarHBondContact O-N 2.92Å
31	R	95	Very high	74.5	Confident	33 Å²	33	78.7 Å²	78.7	13%	0.125	44%	0.444	C	S	.	.	H	α-helix	trans	-51.4	-53.4	172.1	176.2	-173.5	76.8	-178.7	-9.6	112.4	S29 R33 L34 L35 H60 V84 P85 Y88	S29-R31 PolarHBondContact O-N 3.28Å; R31-R33 VanDerWaalsContact C-N 3.3Å; R31-R33 PolarHBondContact O-N 2.92Å; R31-L34 PolarHBondContact O-N 3.46Å; R31-L35 HydrophobicContact CG-CD1 3.66Å; R31-L35 HydrophobicContact CG-CG 4.14Å; R31-L35 WeakPolarHBondContact O-CB 3.45Å; R31-L35 VanDerWaalsContact O-CG 3.27Å; R31-L35 WeakPolarHBondContact O-CG 3.35Å; R31-L35 PolarHBondContact O-N 3.18Å; R31-H60 PolarHBondContact NH2-ND1 3.48Å; R31-V84 HydrophobicContact CG-CG1 4Å; R31-V84 PolarHBondContact NH1-O 2.86Å; R31-P85 WeakPolarHBondContact CD-O 3.33Å; R31-Y88 HydrophobicContact CG-CD1 4.24Å; R31-Y88 HydrophobicContact CG-CG 4.49Å
32	D	92.7	Very high	77	Confident	48 Å²	48	76.3 Å²	76.3	26%	0.257	42%	0.419	S	S	.	.	H	α-helix	trans	-66.6	-34.4	-173.9	-62.4	-39.4	0	0	0	111.8	S29 I30 M36	S29-D32 PolarHBondContact O-N 3.43Å; S29-D32 PolarHBondContact OG-N 2.92Å; S29-D32 VanDerWaalsContact OG-N 3.14Å; S29-D32 PolarHBondContact OG-OD2 3.33Å; I30-D32 PolarHBondContact O-N 3.27Å; D32-M36 VanDerWaalsContact O-CB 3.28Å; D32-M36 WeakPolarHBondContact O-CB 3.31Å; D32-M36 PolarHBondContact O-N 3.12Å
33	R	93.2	Very high	79.5	Confident	129 Å²	129	76.4 Å²	76.4	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-45	173.3	-72.8	-174.7	-89.1	153.3	-4.9	112.5	S28 S29 I30 R31 T37	S28-R33 PolarHBondContact O-NE 3.03Å; S28-R33 PolarHBondContact O-NH2 3.29Å; S28-R33 WeakPolarHBondContact OG-CG 3.44Å; S29-R33 PolarHBondContact O-N 2.96Å; I30-R33 PolarHBondContact O-N 3.39Å; R31-R33 VanDerWaalsContact C-N 3.3Å; R31-R33 PolarHBondContact O-N 2.92Å; R33-T37 PolarHBondContact O-N 2.84Å; R33-T37 PolarHBondContact O-OG1 3.26Å; R33-T37 VanDerWaalsContact O-OG1 3.09Å
34	L	95.2	Very high	82	Confident	53 Å²	53	73.3 Å²	73.3	28%	0.277	40%	0.4	S	S	.	.	H	α-helix	trans	-62.2	-51	175.7	-69	172.2	0	0	0	110.6	I30 R31 M36 T37 E38 Y88 N89	I30-L34 HydrophobicContact CG2-CD1 3.96Å; I30-L34 HydrophobicContact CG2-CG 4.39Å; I30-L34 WeakPolarHBondContact O-CG 3.31Å; I30-L34 PolarHBondContact O-N 2.92Å; R31-L34 PolarHBondContact O-N 3.46Å; L34-M36 VanDerWaalsContact C-N 3.34Å; L34-M36 PolarHBondContact O-N 2.92Å; L34-T37 WeakPolarHBondContact O-CB 3.32Å; L34-T37 PolarHBondContact O-N 3.21Å; L34-E38 WeakPolarHBondContact O-CG 3.43Å; L34-E38 PolarHBondContact O-N 3.41Å; L34-Y88 HydrophobicContact CB-CD1 4.24Å; L34-Y88 HydrophobicContact CB-CE1 3.8Å; L34-Y88 HydrophobicContact CD1-CD1 4.01Å; L34-Y88 HydrophobicContact CD1-CE1 3.96Å; L34-N89 HydrophobicContact CD1-CB 4.04Å
35	L	95.4	Very high	84.5	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-60.5	-40.6	-179.9	-70.8	178.9	0	0	0	112.8	R31 T37 E38 V39 F59 H60 V84 Y88 I133	R31-L35 HydrophobicContact CG-CD1 3.66Å; R31-L35 HydrophobicContact CG-CG 4.14Å; R31-L35 WeakPolarHBondContact O-CB 3.45Å; R31-L35 VanDerWaalsContact O-CG 3.27Å; R31-L35 WeakPolarHBondContact O-CG 3.35Å; R31-L35 PolarHBondContact O-N 3.18Å; L35-T37 PolarHBondContact O-N 3.45Å; L35-E38 PolarHBondContact O-N 3.1Å; L35-V39 WeakPolarHBondContact O-CB 3.18Å; L35-V39 WeakPolarHBondContact O-CG2 3.34Å; L35-V39 PolarHBondContact O-N 3.39Å; L35-F59 HydrophobicContact CB-CB 4.07Å; L35-F59 HydrophobicContact CD1-CB 4.3Å; L35-H60 HydrophobicContact CD1-CB 3.83Å; L35-V84 HydrophobicContact CD1-CB 4.01Å; L35-V84 HydrophobicContact CD1-CG1 4Å; L35-V84 HydrophobicContact CD1-CG2 4.17Å; L35-V84 HydrophobicContact CD2-CB 4.42Å; L35-V84 HydrophobicContact CD2-CG1 4.1Å; L35-V84 HydrophobicContact CD2-CG2 3.93Å; L35-V84 HydrophobicContact CG-CG1 4.38Å; L35-Y88 HydrophobicContact CD2-CE1 4.21Å; L35-I133 HydrophobicContact CD2-CD1 3.95Å; L35-I133 HydrophobicContact CD2-CG1 3.73Å
36	M	91.3	Very high	86.7	Confident	51 Å²	51	60.7 Å²	60.7	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-37.8	177.3	-172.6	175.8	128.9	0	0	111.6	D32 L34 Q40 F59	D32-M36 VanDerWaalsContact O-CB 3.28Å; D32-M36 WeakPolarHBondContact O-CB 3.31Å; D32-M36 PolarHBondContact O-N 3.12Å; L34-M36 VanDerWaalsContact C-N 3.34Å; L34-M36 PolarHBondContact O-N 2.92Å; M36-Q40 VanDerWaalsContact O-CG 3.26Å; M36-Q40 WeakPolarHBondContact O-CG 3.39Å; M36-Q40 PolarHBondContact O-N 2.89Å; M36-F59 HydrophobicContact CB-CE2 4.33Å; M36-F59 HydrophobicContact CG-CE2 4.23Å
37	T	92.5	Very high	88.7	Confident	76 Å²	76	55.2 Å²	55.2	47%	0.466	32%	0.32	S	S	.	.	H	α-helix	trans	-71.9	-48.1	177.5	-54.7	0	0	0	0	111.1	R33 L34 L35 Q40 Q41	R33-T37 PolarHBondContact O-N 2.84Å; R33-T37 PolarHBondContact O-OG1 3.26Å; R33-T37 VanDerWaalsContact O-OG1 3.09Å; L34-T37 WeakPolarHBondContact O-CB 3.32Å; L34-T37 PolarHBondContact O-N 3.21Å; L35-T37 PolarHBondContact O-N 3.45Å; T37-Q40 PolarHBondContact O-N 2.99Å; T37-Q41 PolarHBondContact O-N 2.92Å
38	E	94.6	Very high	90.4	Very high	35 Å²	35	56.2 Å²	56.2	16%	0.164	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-41.3	-177.8	-69.6	-179.8	-129.5	0	0	112.5	L34 L35 Q40 Q41 L42 Y88 G132 I133	L34-E38 WeakPolarHBondContact O-CG 3.43Å; L34-E38 PolarHBondContact O-N 3.41Å; L35-E38 PolarHBondContact O-N 3.1Å; E38-Q40 VanDerWaalsContact C-N 3.26Å; E38-Q40 PolarHBondContact O-N 3.34Å; E38-Q41 PolarHBondContact O-N 3.32Å; E38-L42 PolarHBondContact O-N 2.81Å; E38-Y88 WeakPolarHBondContact OE1-CE1 3.36Å; E38-Y88 PolarHBondContact OE1-OH 2.88Å; E38-Y88 PolarHBondContact OE2-OH 3.31Å; E38-G132 WeakPolarHBondContact OE2-CA 3.43Å; E38-I133 WeakPolarHBondContact OE2-CG1 3.36Å; E38-I133 PolarHBondContact OE2-N 3.11Å
39	V	91.3	Very high	91.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-30.5	179.5	168.9	0	0	0	0	111.8	L4 L35 Q41 L42 F54 F59	L4-V39 HydrophobicContact CD1-CG1 3.31Å; L4-V39 HydrophobicContact CD2-CG1 4.49Å; L35-V39 WeakPolarHBondContact O-CB 3.18Å; L35-V39 WeakPolarHBondContact O-CG2 3.34Å; L35-V39 PolarHBondContact O-N 3.39Å; V39-Q41 VanDerWaalsContact C-N 3.28Å; V39-Q41 PolarHBondContact O-N 3.41Å; V39-L42 HydrophobicContact CB-CD1 4.44Å; V39-L42 HydrophobicContact CG2-CD1 4.12Å; V39-F54 HydrophobicContact CB-CZ 4.34Å; V39-F54 HydrophobicContact CG1-CE1 4.42Å; V39-F54 HydrophobicContact CG1-CE2 3.86Å; V39-F54 HydrophobicContact CG1-CZ 3.51Å; V39-F54 HydrophobicContact CG2-CE1 4.33Å; V39-F54 HydrophobicContact CG2-CZ 3.79Å; V39-F59 HydrophobicContact CG1-CD1 4.1Å; V39-F59 HydrophobicContact CG1-CE1 4.08Å; V39-F59 HydrophobicContact CG2-CD1 4.44Å
40	Q	88.7	Confident	91.6	Very high	83 Å²	83	54.9 Å²	54.9	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-66.4	-30.8	172.3	-77.9	175.2	10.6	0	0	112.8	L8 M36 T37 E38 P43	L8-Q40 HydrophobicContact CD1-CG 4.12Å; L8-Q40 HydrophobicContact CD2-CG 3.38Å; L8-Q40 HydrophobicContact CG-CG 4.38Å; M36-Q40 VanDerWaalsContact O-CG 3.26Å; M36-Q40 WeakPolarHBondContact O-CG 3.39Å; M36-Q40 PolarHBondContact O-N 2.89Å; T37-Q40 PolarHBondContact O-N 2.99Å; E38-Q40 VanDerWaalsContact C-N 3.26Å; E38-Q40 PolarHBondContact O-N 3.34Å; Q40-P43 WeakPolarHBondContact O-CD 3.17Å
41	Q	89.4	Confident	91.8	Very high	112 Å²	112	54.7 Å²	54.7	52%	0.523	30%	0.301	S	S	.	.	H	α-helix	trans	-89.7	-17.3	-178.4	-63.1	177.8	4.2	0	0	113.1	T37 E38 V39 P43 S44 A45	T37-Q41 PolarHBondContact O-N 2.92Å; E38-Q41 PolarHBondContact O-N 3.32Å; V39-Q41 VanDerWaalsContact C-N 3.28Å; V39-Q41 PolarHBondContact O-N 3.41Å; Q41-P43 VanDerWaalsContact C-CD 3.44Å; Q41-S44 PolarHBondContact O-N 2.87Å; Q41-S44 PolarHBondContact O-OG 3.39Å; Q41-A45 PolarHBondContact O-N 2.93Å
42	L	89.7	Confident	91.8	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-51.8	-50.1	-179.6	-81.7	173.9	0	0	0	113.8	L4 E38 V39 S44 A45 L46 V52 I133 K134 V137	L4-L42 HydrophobicContact CD2-CB 4.38Å; E38-L42 PolarHBondContact O-N 2.81Å; V39-L42 HydrophobicContact CB-CD1 4.44Å; V39-L42 HydrophobicContact CG2-CD1 4.12Å; L42-S44 PolarHBondContact O-N 3.44Å; L42-A45 PolarHBondContact O-N 3.29Å; L42-L46 HydrophobicContact CD2-CD2 4.13Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 2.8Å; L42-L46 VanDerWaalsContact O-N 3.12Å; L42-V52 HydrophobicContact CD1-CG1 4.46Å; L42-V52 HydrophobicContact CD1-CG2 4.38Å; L42-I133 HydrophobicContact CD1-CG2 3.93Å; L42-I133 HydrophobicContact CD2-CG2 4.07Å; L42-K134 HydrophobicContact CD2-CB 4.3Å; L42-V137 HydrophobicContact CD2-CG2 4.47Å
43	P	87.2	Confident	91.9	Very high	67 Å²	67	52.4 Å²	52.4	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-53.3	-36.9	-172.6	-24.2	31.6	0	0	0	114.2	L4 Q40 Q41	L4-P43 HydrophobicContact CD2-CG 3.54Å; L4-P43 HydrophobicContact CG-CG 4.18Å; Q40-P43 WeakPolarHBondContact O-CD 3.17Å; Q41-P43 VanDerWaalsContact C-CD 3.44Å
44	S	87.3	Confident	92	Very high	112 Å²	112	46.4 Å²	46.4	78%	0.783	27%	0.269	S	S	*	.	H	α-helix	trans	-83.8	-14	179.5	43.6	0	0	0	0	114.1	Q41 L42	Q41-S44 PolarHBondContact O-N 2.87Å; Q41-S44 PolarHBondContact O-OG 3.39Å; L42-S44 PolarHBondContact O-N 3.44Å
45	A	89.9	Confident	91.9	Very high	50 Å²	50	47.5 Å²	47.5	41%	0.413	28%	0.279	S	S	.	.	H	α-helix	trans	-106.8	-5.7	-174.7	0	0	0	0	0	113.7	Q41 L42 K134	Q41-A45 PolarHBondContact O-N 2.93Å; L42-A45 PolarHBondContact O-N 3.29Å; A45-K134 HydrophobicContact CB-CB 4.31Å
46	L	92.6	Very high	91.7	Very high	37 Å²	37	49.5 Å²	49.5	19%	0.194	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-74	139.2	-177.1	-71	-177.7	0	0	0	112.3	L42 C50 V52 V137	L42-L46 HydrophobicContact CD2-CD2 4.13Å; L42-L46 WeakPolarHBondContact O-CG 3.48Å; L42-L46 PolarHBondContact O-N 2.8Å; L42-L46 VanDerWaalsContact O-N 3.12Å; L46-C50 HydrophobicContact CB-CB 4.2Å; L46-C50 HydrophobicContact CD2-CB 4.41Å; L46-V52 HydrophobicContact CD1-CG2 3.94Å; L46-V52 HydrophobicContact CD2-CG2 4.06Å; L46-V137 HydrophobicContact CD2-CB 4.03Å; L46-V137 HydrophobicContact CD2-CG1 3.4Å; L46-V137 HydrophobicContact CD2-CG2 4.32Å
47	P	92	Very high	91.5	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.084	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-56.9	151.8	168.6	-24.6	33.7	0	0	0	112.5	G49 C50 F138 Y141	P47-G49 PolarHBondContact O-N 3.02Å; P47-C50 HydrophobicContact CB-CB 4.45Å; P47-C50 WeakPolarHBondContact O-CB 3.39Å; P47-C50 PolarHBondContact O-N 3.44Å; P47-F138 HydrophobicContact CG-CD2 3.94Å; P47-Y141 HydrophobicContact CB-CD1 3.89Å; P47-Y141 HydrophobicContact CB-CD2 3.84Å; P47-Y141 HydrophobicContact CB-CE1 4.23Å; P47-Y141 HydrophobicContact CB-CE2 4.17Å; P47-Y141 HydrophobicContact CB-CG 3.7Å; P47-Y141 HydrophobicContact CG-CD1 4.19Å; P47-Y141 HydrophobicContact CG-CD2 4.43Å; P47-Y141 HydrophobicContact CG-CG 3.91Å
48	P	89.3	Confident	91.4	Very high	100 Å²	100	49.8 Å²	49.8	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	128.7	169.1	-23.3	33.5	0	0	0	110.8	Y141	P48-Y141 VanDerWaalsContact O-CE2 3.25Å; P48-Y141 WeakPolarHBondContact O-CE2 3.25Å
49	G	90.2	Very high	91.4	Very high	33 Å²	33	48.6 Å²	48.6	34%	0.34	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-3.8	-177.5	0	0	0	0	0	115.1	P47 K67	P47-G49 PolarHBondContact O-N 3.02Å; G49-K67 PolarHBondContact O-N 3.49Å
50	C	95.1	Very high	91.6	Very high	16 Å²	16	51.3 Å²	51.3	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141	169.5	-76.9	0	0	0	0	112	L46 P47 I65 V137 Y141	L46-C50 HydrophobicContact CB-CB 4.2Å; L46-C50 HydrophobicContact CD2-CB 4.41Å; P47-C50 HydrophobicContact CB-CB 4.45Å; P47-C50 WeakPolarHBondContact O-CB 3.39Å; P47-C50 PolarHBondContact O-N 3.44Å; C50-I65 CarbonylContact C-O 3.49Å; C50-I65 WeakPolarHBondContact CA-O 3.35Å; C50-V137 HydrophobicContact CB-CG1 4.3Å; C50-Y141 WeakPolarHBondContact SG-CD2 3.37Å
51	R	94.2	Very high	91.9	Very high	99 Å²	99	51 Å²	51	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.2	168	62.8	-178.4	-168.6	124.2	23	110.2	E53 I65	R51-E53 VanDerWaalsContact CZ-CD 3.5Å; R51-E53 IonicContact CZ-OE1 3.1Å; R51-E53 IonicContact CZ-OE2 3.67Å; R51-E53 IonicContact NH1-OE1 2.61Å; R51-E53 PolarHBondContact NH1-OE1 3.22Å; R51-E53 IonicContact NH1-OE2 3.93Å; R51-E53 IonicContact NH2-OE1 3.06Å; R51-E53 PolarHBondContact NH2-OE1 2.78Å; R51-E53 IonicContact NH2-OE2 3.68Å; R51-E53 PolarHBondContact NH2-OE2 2.95Å; R51-I65 HydrophobicContact CG-CB 3.65Å; R51-I65 HydrophobicContact CG-CD1 3.92Å; R51-I65 HydrophobicContact CG-CG1 4.33Å; R51-I65 HydrophobicContact CG-CG2 4.36Å; R51-I65 PolarHBondContact N-O 3.44Å; R51-I65 PolarHBondContact O-N 2.99Å
52	V	95.6	Very high	92.3	Very high	12 Å²	12	45.7 Å²	45.7	7%	0.073	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.5	178	178.4	0	0	0	0	109.6	L42 L46 F54 F62 L63 V64 V137	L42-V52 HydrophobicContact CD1-CG1 4.46Å; L42-V52 HydrophobicContact CD1-CG2 4.38Å; L46-V52 HydrophobicContact CD1-CG2 3.94Å; L46-V52 HydrophobicContact CD2-CG2 4.06Å; V52-F54 HydrophobicContact CG1-CD2 4.4Å; V52-F54 HydrophobicContact CG1-CE2 3.67Å; V52-F54 HydrophobicContact CG1-CZ 3.96Å; V52-F62 HydrophobicContact CG1-CB 4.18Å; V52-F62 HydrophobicContact CG1-CD2 3.71Å; V52-F62 HydrophobicContact CG1-CE2 4.46Å; V52-F62 HydrophobicContact CG1-CG 4.19Å; V52-L63 CarbonylContact C-O 3.53Å; V52-L63 VanDerWaalsContact CA-O 3.32Å; V52-L63 WeakPolarHBondContact CA-O 3.41Å; V52-V64 HydrophobicContact CG2-CG2 4.38Å; V52-V137 HydrophobicContact CG2-CG2 4.45Å
53	E	95.1	Very high	92.7	Very high	22 Å²	22	46.8 Å²	46.8	10%	0.103	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141.6	179.2	-67.3	-177.5	143.8	0	0	110.5	M1 R51 F62 L63 I65	M1-E53 WeakPolarHBondContact CE-OE1 3.33Å; M1-E53 WeakPolarHBondContact CE-OE2 3.27Å; M1-E53 HydrophobicContact SD-CB 4.49Å; M1-E53 HydrophobicContact SD-CG 4.44Å; R51-E53 VanDerWaalsContact CZ-CD 3.5Å; R51-E53 IonicContact CZ-OE1 3.1Å; R51-E53 IonicContact CZ-OE2 3.67Å; R51-E53 IonicContact NH1-OE1 2.61Å; R51-E53 PolarHBondContact NH1-OE1 3.22Å; R51-E53 IonicContact NH1-OE2 3.93Å; R51-E53 IonicContact NH2-OE1 3.06Å; R51-E53 PolarHBondContact NH2-OE1 2.78Å; R51-E53 IonicContact NH2-OE2 3.68Å; R51-E53 PolarHBondContact NH2-OE2 2.95Å; E53-F62 WeakPolarHBondContact O-CA 3.42Å; E53-F62 WeakPolarHBondContact O-CB 3.45Å; E53-L63 HydrophobicContact CB-CB 4.34Å; E53-L63 PolarHBondContact N-O 2.88Å; E53-L63 PolarHBondContact O-N 2.8Å; E53-I65 HydrophobicContact CB-CD1 4.03Å; E53-I65 HydrophobicContact CG-CD1 3.6Å; E53-I65 WeakPolarHBondContact OE2-CD1 3.41Å
54	F	95	Very high	93.2	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-112	109.8	177.2	-69.2	-90.8	0	0	0	109.4	L4 K7 V39 V52 G56 F59 F62	L4-F54 HydrophobicContact CD1-CD2 4.37Å; L4-F54 HydrophobicContact CD1-CE2 3.8Å; K7-F54 HydrophobicContact CD-CB 3.68Å; K7-F54 HydrophobicContact CD-CD1 4.3Å; K7-F54 HydrophobicContact CD-CD2 4.1Å; K7-F54 HydrophobicContact CD-CG 3.75Å; K7-F54 VanDerWaalsContact NZ-CB 3.34Å; V39-F54 HydrophobicContact CB-CZ 4.34Å; V39-F54 HydrophobicContact CG1-CE1 4.42Å; V39-F54 HydrophobicContact CG1-CE2 3.86Å; V39-F54 HydrophobicContact CG1-CZ 3.51Å; V39-F54 HydrophobicContact CG2-CE1 4.33Å; V39-F54 HydrophobicContact CG2-CZ 3.79Å; V52-F54 HydrophobicContact CG1-CD2 4.4Å; V52-F54 HydrophobicContact CG1-CE2 3.67Å; V52-F54 HydrophobicContact CG1-CZ 3.96Å; F54-G56 PolarHBondContact O-N 3.47Å; F54-F59 HydrophobicContact CD1-CD1 4.18Å; F54-F59 HydrophobicContact CE1-CB 4.47Å; F54-F59 AromaticContact CE1-CD1 3.81Å; F54-F59 HydrophobicContact CE1-CD1 3.81Å; F54-F59 HydrophobicContact CZ-CD1 4.27Å; F54-F62 HydrophobicContact CD1-CB 3.64Å; F54-F62 HydrophobicContact CE1-CB 3.53Å; F54-F62 HydrophobicContact CE1-CD1 4Å; F54-F62 HydrophobicContact CE1-CG 4.01Å; F54-F62 HydrophobicContact CG-CB 4.26Å; F54-F62 HydrophobicContact CZ-CB 4.02Å; F54-F62 HydrophobicContact CZ-CD1 4.5Å; F54-F62 HydrophobicContact CZ-CG 4.31Å
55	P	93.9	Very high	93.7	Very high	75 Å²	75	38.3 Å²	38.3	49%	0.487	24%	0.238	S	C	.	.	S	Bend	trans	-64.6	-26.2	179.7	-27.9	39.5	0	0	0	113.6	Y61 L63	P55-Y61 HydrophobicContact CB-CE1 4.04Å; P55-Y61 HydrophobicContact CG-CD1 4.25Å; P55-Y61 HydrophobicContact CG-CE1 3.7Å; P55-L63 HydrophobicContact CG-CD1 3.97Å; P55-L63 HydrophobicContact CG-CG 3.87Å
56	G	91.2	Very high	94	Very high	43 Å²	43	36 Å²	36	44%	0.443	22%	0.218	S	C	.	.	S	Bend	trans	-142.7	-164.8	179.2	0	0	0	0	0	113.4	K7 F54	K7-G56 WeakPolarHBondContact CE-O 3.36Å; K7-G56 PolarHBondContact NZ-O 2.85Å; F54-G56 PolarHBondContact O-N 3.47Å
57	S	87.4	Confident	94.2	Very high	100 Å²	100	39.2 Å²	39.2	70%	0.699	23%	0.231	S	C	*	.	S	Bend	trans	-73.3	-30.5	-178.2	54.3	0	0	0	0	113.4	K7	K7-S57 WeakPolarHBondContact CE-O 3.35Å; K7-S57 PolarHBondContact NZ-O 2.96Å
58	A	90.3	Very high	94.5	Very high	32 Å²	32	38.8 Å²	38.8	26%	0.264	23%	0.228	S	C	.	.			trans	-59.7	135.7	178.3	0	0	0	0	0	112.4	K7 H60	K7-A58 PolarHBondContact NZ-O 2.85Å; A58-H60 VanDerWaalsContact CB-CE1 3.4Å; A58-H60 WeakPolarHBondContact CB-CE1 3.35Å
59	F	93.1	Very high	94.7	Very high	11 Å²	11	38.7 Å²	38.7	5%	0.048	23%	0.225	C	C	.	.	S	Bend	trans	-88.5	-21	171.7	-69	-56	0	0	0	113.3	K7 Q11 L35 M36 V39 F54 Y61 F62	K7-F59 HydrophobicContact CD-CD1 4.26Å; K7-F59 HydrophobicContact CD-CE1 3.72Å; K7-F59 HydrophobicContact CG-CE1 4.04Å; Q11-F59 VanDerWaalsContact CD-CE2 3.41Å; Q11-F59 VanDerWaalsContact CD-CZ 3.47Å; Q11-F59 HydrophobicContact CG-CZ 4.4Å; L35-F59 HydrophobicContact CB-CB 4.07Å; L35-F59 HydrophobicContact CD1-CB 4.3Å; M36-F59 HydrophobicContact CB-CE2 4.33Å; M36-F59 HydrophobicContact CG-CE2 4.23Å; V39-F59 HydrophobicContact CG1-CD1 4.1Å; V39-F59 HydrophobicContact CG1-CE1 4.08Å; V39-F59 HydrophobicContact CG2-CD1 4.44Å; F54-F59 HydrophobicContact CD1-CD1 4.18Å; F54-F59 HydrophobicContact CE1-CB 4.47Å; F54-F59 AromaticContact CE1-CD1 3.81Å; F54-F59 HydrophobicContact CE1-CD1 3.81Å; F54-F59 HydrophobicContact CZ-CD1 4.27Å; F59-Y61 PolarHBondContact O-N 2.76Å; F59-F62 WeakPolarHBondContact O-CD1 3.29Å
60	H	95.4	Very high	94.8	Very high	57 Å²	57	41.8 Å²	41.8	26%	0.264	23%	0.234	S	C	.	.	S	Bend	trans	-74.1	-1.6	178.2	62.9	-101.7	0	0	0	113.5	R31 L35 A58 T83 V84	R31-H60 PolarHBondContact NH2-ND1 3.48Å; L35-H60 HydrophobicContact CD1-CB 3.83Å; A58-H60 VanDerWaalsContact CB-CE1 3.4Å; A58-H60 WeakPolarHBondContact CB-CE1 3.35Å; H60-T83 CarbonylContact O-C 3.32Å; H60-T83 WeakPolarHBondContact O-CA 2.96Å; H60-V84 HydrophobicContact CB-CB 3.99Å; H60-V84 PolarHBondContact O-N 2.78Å
61	Y	96.7	Very high	94.8	Very high	76 Å²	76	43.8 Å²	43.8	30%	0.298	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	119.8	177.5	177	-95.6	0	0	0	109.5	P55 F59 E81 V82	P55-Y61 HydrophobicContact CB-CE1 4.04Å; P55-Y61 HydrophobicContact CG-CD1 4.25Å; P55-Y61 HydrophobicContact CG-CE1 3.7Å; F59-Y61 PolarHBondContact O-N 2.76Å; Y61-E81 HydrophobicContact CD2-CG 4.33Å; Y61-E81 HydrophobicContact CE2-CG 3.51Å; Y61-E81 WeakPolarHBondContact CE2-OE2 3.44Å; Y61-E81 PolarHBondContact OH-OE2 2.98Å; Y61-V82 WeakPolarHBondContact CA-O 3.46Å
62	F	97.1	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	164.2	-178.7	56.9	-88.3	0	0	0	112	V52 E53 F54 F59 V64 V82 V84 I133	V52-F62 HydrophobicContact CG1-CB 4.18Å; V52-F62 HydrophobicContact CG1-CD2 3.71Å; V52-F62 HydrophobicContact CG1-CE2 4.46Å; V52-F62 HydrophobicContact CG1-CG 4.19Å; E53-F62 WeakPolarHBondContact O-CA 3.42Å; E53-F62 WeakPolarHBondContact O-CB 3.45Å; F54-F62 HydrophobicContact CD1-CB 3.64Å; F54-F62 HydrophobicContact CE1-CB 3.53Å; F54-F62 HydrophobicContact CE1-CD1 4Å; F54-F62 HydrophobicContact CE1-CG 4.01Å; F54-F62 HydrophobicContact CG-CB 4.26Å; F54-F62 HydrophobicContact CZ-CB 4.02Å; F54-F62 HydrophobicContact CZ-CD1 4.5Å; F54-F62 HydrophobicContact CZ-CG 4.31Å; F59-F62 WeakPolarHBondContact O-CD1 3.29Å; F62-V64 HydrophobicContact CD2-CG2 3.95Å; F62-V64 HydrophobicContact CE2-CG2 3.75Å; F62-V82 HydrophobicContact CD2-CB 3.94Å; F62-V82 HydrophobicContact CD2-CG2 4.26Å; F62-V82 HydrophobicContact CE1-CB 4.14Å; F62-V82 HydrophobicContact CE1-CG1 3.93Å; F62-V82 HydrophobicContact CE2-CB 3.5Å; F62-V82 HydrophobicContact CE2-CG1 3.79Å; F62-V82 HydrophobicContact CE2-CG2 3.75Å; F62-V82 HydrophobicContact CG-CB 4.43Å; F62-V82 HydrophobicContact CZ-CB 3.6Å; F62-V82 HydrophobicContact CZ-CG1 3.37Å; F62-V82 HydrophobicContact CZ-CG2 4.25Å; F62-V82 PolarHBondContact N-O 2.91Å; F62-V82 VanDerWaalsContact N-O 3.11Å; F62-V82 PolarHBondContact O-N 2.89Å; F62-V84 HydrophobicContact CE1-CG2 3.89Å; F62-I133 HydrophobicContact CE1-CD1 4.46Å; F62-I133 HydrophobicContact CE1-CG2 4.29Å; F62-I133 HydrophobicContact CE2-CG2 3.92Å; F62-I133 HydrophobicContact CZ-CD1 4.19Å; F62-I133 HydrophobicContact CZ-CG1 4.43Å; F62-I133 HydrophobicContact CZ-CG2 3.42Å; F62-I133 VanDerWaalsContact CZ-CG2 3.42Å
63	L	97.8	Very high	95.1	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.131	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	135	175.1	-58.1	178.7	0	0	0	109.8	V52 E53 P55 I65 F80 E81 L98	V52-L63 CarbonylContact C-O 3.53Å; V52-L63 VanDerWaalsContact CA-O 3.32Å; V52-L63 WeakPolarHBondContact CA-O 3.41Å; E53-L63 HydrophobicContact CB-CB 4.34Å; E53-L63 PolarHBondContact N-O 2.88Å; E53-L63 PolarHBondContact O-N 2.8Å; P55-L63 HydrophobicContact CG-CD1 3.97Å; P55-L63 HydrophobicContact CG-CG 3.87Å; L63-I65 HydrophobicContact CB-CD1 4.23Å; L63-F80 CarbonylContact C-O 3.56Å; L63-F80 WeakPolarHBondContact CA-O 3.45Å; L63-E81 HydrophobicContact CD2-CB 4.27Å; L63-L98 HydrophobicContact CD2-CD1 3.91Å
64	V	97.4	Very high	95.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.4	167.9	-179.4	0	0	0	0	107.3	V52 F62 V66 F80 V82 V137	V52-V64 HydrophobicContact CG2-CG2 4.38Å; F62-V64 HydrophobicContact CD2-CG2 3.95Å; F62-V64 HydrophobicContact CE2-CG2 3.75Å; V64-V66 HydrophobicContact CG1-CG2 4Å; V64-F80 HydrophobicContact CB-CB 4.26Å; V64-F80 PolarHBondContact N-O 3.2Å; V64-F80 PolarHBondContact O-N 3.16Å; V64-V82 HydrophobicContact CG2-CG2 3.66Å; V64-V137 HydrophobicContact CG1-CG1 3.82Å; V64-V137 HydrophobicContact CG1-CG2 4.37Å; V64-V137 HydrophobicContact CG2-CG2 3.86Å
65	I	97.6	Very high	95.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.2	176.8	-54.3	94.1	0	0	0	107.8	C50 R51 E53 L63 F78 R79	C50-I65 CarbonylContact C-O 3.49Å; C50-I65 WeakPolarHBondContact CA-O 3.35Å; R51-I65 HydrophobicContact CG-CB 3.65Å; R51-I65 HydrophobicContact CG-CD1 3.92Å; R51-I65 HydrophobicContact CG-CG1 4.33Å; R51-I65 HydrophobicContact CG-CG2 4.36Å; R51-I65 PolarHBondContact N-O 3.44Å; R51-I65 PolarHBondContact O-N 2.99Å; E53-I65 HydrophobicContact CB-CD1 4.03Å; E53-I65 HydrophobicContact CG-CD1 3.6Å; E53-I65 WeakPolarHBondContact OE2-CD1 3.41Å; L63-I65 HydrophobicContact CB-CD1 4.23Å; I65-F78 WeakPolarHBondContact CA-O 3.44Å; I65-R79 HydrophobicContact CG1-CG 4.05Å; I65-R79 HydrophobicContact CG2-CG 4.45Å
66	V	97.5	Very high	95.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.5	-177.5	-179	0	0	0	0	109.4	V64 P68 F78 F80 I140 Y141 F144	V64-V66 HydrophobicContact CG1-CG2 4Å; V66-P68 HydrophobicContact CG1-CG 4.14Å; V66-F78 PolarHBondContact N-O 3.01Å; V66-F78 PolarHBondContact O-N 3.13Å; V66-F80 HydrophobicContact CB-CE2 4.36Å; V66-F80 HydrophobicContact CG2-CD2 4.18Å; V66-F80 HydrophobicContact CG2-CE2 4.04Å; V66-I140 HydrophobicContact CG2-CG2 3.9Å; V66-Y141 HydrophobicContact CG1-CD2 3.82Å; V66-Y141 HydrophobicContact CG1-CE2 4.48Å; V66-F144 HydrophobicContact CB-CE2 4.22Å; V66-F144 HydrophobicContact CG1-CD2 3.79Å; V66-F144 HydrophobicContact CG1-CE2 3.94Å
67	K	97.1	Very high	95.6	Very high	105 Å²	105	40 Å²	40	46%	0.457	25%	0.254	S	S	.	.			trans	-121.1	92	170.8	-66.7	-172.8	173.3	-170.8	0	108.8	G49 V69 G76 C77	G49-K67 PolarHBondContact O-N 3.49Å; K67-V69 PolarHBondContact O-N 2.9Å; K67-G76 WeakPolarHBondContact CA-O 3.47Å; K67-C77 VanDerWaalsContact CE-SG 3.58Å; K67-C77 HydrophobicContact CG-CB 4.4Å
68	P	96.6	Very high	96.1	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.032	22%	0.221	C	C	.	.			trans	-58.6	136.4	176.5	-21.5	34.5	0	0	0	110	V66 A74 G75 F78 F144	V66-P68 HydrophobicContact CG1-CG 4.14Å; P68-A74 WeakPolarHBondContact O-CA 3.13Å; P68-G75 PolarHBondContact O-N 3.45Å; P68-G75 VanDerWaalsContact O-N 3.16Å; P68-F78 HydrophobicContact CG-CD2 4.17Å; P68-F78 HydrophobicContact CG-CE2 3.96Å; P68-F144 HydrophobicContact CB-CB 4.14Å; P68-F144 HydrophobicContact CG-CB 3.6Å; P68-F144 HydrophobicContact CG-CD1 4.07Å; P68-F144 HydrophobicContact CG-CD2 4.22Å; P68-F144 HydrophobicContact CG-CG 3.7Å
69	V	93.4	Very high	96.5	Very high	98 Å²	98	37.5 Å²	37.5	59%	0.594	22%	0.223	S	C	*	.	S	Bend	trans	-94.5	-18.6	-178.6	-64.1	0	0	0	0	112.4	K67	K67-V69 PolarHBondContact O-N 2.9Å
70	D	94.1	Very high	96.7	Very high	98 Å²	98	37 Å²	37	52%	0.524	22%	0.22	S	C	.	.	S	Bend	trans	-139.8	-178.8	-177.7	62.1	-7.4	0	0	0	111.3	A74	D70-A74 PolarHBondContact O-N 3.4Å
71	G	95.3	Very high	96.9	Very high	57 Å²	57	36.8 Å²	36.8	59%	0.588	22%	0.22	S	C	*	.	S	Bend	trans	70.8	-170	-177.8	0	0	0	0	0	114.3	Y73 A74	G71-Y73 PolarHBondContact O-N 3.03Å; G71-A74 WeakPolarHBondContact O-CB 3.26Å; G71-A74 PolarHBondContact O-N 3.16Å
72	M	96.5	Very high	97	Very high	45 Å²	45	33.1 Å²	33.1	22%	0.222	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.8	-174.6	28.1	-179.5	-110.4	0	0	113.8	I148 F150 F169 V173	M72-I148 HydrophobicContact CE-CD1 4.06Å; M72-F150 HydrophobicContact CE-CZ 4.18Å; M72-F169 HydrophobicContact CE-CD1 4.39Å; M72-F169 HydrophobicContact CE-CE1 3.23Å; M72-F169 HydrophobicContact CE-CZ 3.63Å; M72-F169 HydrophobicContact SD-CD1 4.36Å; M72-F169 HydrophobicContact SD-CE1 3.67Å; M72-V173 WeakPolarHBondContact O-CG1 3.43Å
73	Y	97.8	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	8.2	177.3	-56.2	-75.9	0	0	0	113.4	G71 G75 G76 F78 V101 W102 H103 F144 I148 V173	G71-Y73 PolarHBondContact O-N 3.03Å; Y73-G75 PolarHBondContact O-N 3.29Å; Y73-G76 PolarHBondContact O-N 2.99Å; Y73-F78 HydrophobicContact CD1-CZ 4.11Å; Y73-F78 HydrophobicContact CG-CZ 4.5Å; Y73-V101 HydrophobicContact CD1-CG2 4.35Å; Y73-V101 HydrophobicContact CE1-CG2 4.01Å; Y73-W102 WeakPolarHBondContact CE1-O 3.37Å; Y73-W102 PolarHBondContact OH-O 3Å; Y73-W102 VanDerWaalsContact OH-O 3.1Å; Y73-H103 AromaticContact CE1-CD2 3.99Å; Y73-H103 AromaticContact CE2-CD2 3.45Å; Y73-H103 VanDerWaalsContact CE2-CD2 3.45Å; Y73-H103 WeakPolarHBondContact CE2-CD2 3.4Å; Y73-H103 AromaticContact CE2-NE2 3.68Å; Y73-H103 AromaticContact CZ-CD2 3.23Å; Y73-H103 AromaticContact CZ-NE2 3.92Å; Y73-H103 WeakPolarHBondContact OH-CA 3.35Å; Y73-H103 PolarHBondContact OH-CD2 3.19Å; Y73-F144 HydrophobicContact CD1-CD1 4.26Å; Y73-F144 HydrophobicContact CD2-CB 4.16Å; Y73-F144 AromaticContact CD2-CD1 3.71Å; Y73-F144 HydrophobicContact CD2-CD1 3.71Å; Y73-F144 HydrophobicContact CD2-CG 4.44Å; Y73-F144 HydrophobicContact CE2-CD1 4.29Å; Y73-F144 AromaticContact CG-CD1 3.68Å; Y73-F144 HydrophobicContact CG-CD1 3.68Å; Y73-F144 HydrophobicContact CG-CE1 4.42Å; Y73-I148 HydrophobicContact CD2-CD1 4.24Å; Y73-I148 HydrophobicContact CE2-CD1 3.81Å; Y73-I148 HydrophobicContact CE2-CG1 4.45Å; Y73-V173 HydrophobicContact CD1-CG1 3.51Å; Y73-V173 HydrophobicContact CE1-CB 4.4Å; Y73-V173 HydrophobicContact CE1-CG1 3.55Å; Y73-V173 HydrophobicContact CE1-CG2 3.89Å; Y73-V173 HydrophobicContact CG-CG1 4.42Å
74	A	96.2	Very high	97	Very high	42 Å²	42	34.1 Å²	34.1	35%	0.347	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	134.1	177.9	0	0	0	0	0	111.5	P68 D70 G71 G76	P68-A74 WeakPolarHBondContact O-CA 3.13Å; D70-A74 PolarHBondContact O-N 3.4Å; G71-A74 WeakPolarHBondContact O-CB 3.26Å; G71-A74 PolarHBondContact O-N 3.16Å; A74-G76 PolarHBondContact O-N 2.8Å
75	G	94.9	Very high	97	Very high	76 Å²	76	35.5 Å²	35.5	78%	0.784	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	-4	-178.2	0	0	0	0	0	114.9	P68 Y73	P68-G75 PolarHBondContact O-N 3.45Å; P68-G75 VanDerWaalsContact O-N 3.16Å; Y73-G75 PolarHBondContact O-N 3.29Å
76	G	97.1	Very high	96.9	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.021	25%	0.249	C	C	.	.			trans	-69	164.9	169.3	0	0	0	0	0	113.3	K67 Y73 A74	K67-G76 WeakPolarHBondContact CA-O 3.47Å; Y73-G76 PolarHBondContact O-N 2.99Å; A74-G76 PolarHBondContact O-N 2.8Å
77	C	97.8	Very high	96.8	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.061	27%	0.273	C	S	.	.			trans	-137.7	99.6	175.9	-174.4	0	0	0	0	109.2	K67 T99 C181	K67-C77 VanDerWaalsContact CE-SG 3.58Å; K67-C77 HydrophobicContact CG-CB 4.4Å; C77-T99 PolarHBondContact O-OG1 3.21Å; C77-C181 HydrophobicContact CB-CB 4.25Å; C77-C181 PolarHBondContact N-SG 3.37Å; C77-C181 VanDerWaalsContact N-SG 3.39Å
78	F	98.4	Very high	96.7	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.5	-172.7	-52.4	-78.5	0	0	0	110.1	I65 V66 P68 Y73 F80 T99 V101 F144 M177	I65-F78 WeakPolarHBondContact CA-O 3.44Å; V66-F78 PolarHBondContact N-O 3.01Å; V66-F78 PolarHBondContact O-N 3.13Å; P68-F78 HydrophobicContact CG-CD2 4.17Å; P68-F78 HydrophobicContact CG-CE2 3.96Å; Y73-F78 HydrophobicContact CD1-CZ 4.11Å; Y73-F78 HydrophobicContact CG-CZ 4.5Å; F78-F80 HydrophobicContact CB-CD2 4.47Å; F78-F80 HydrophobicContact CB-CE2 3.69Å; F78-F80 HydrophobicContact CB-CZ 4.35Å; F78-T99 HydrophobicContact CD1-CG2 3.96Å; F78-V101 HydrophobicContact CD1-CB 4.25Å; F78-V101 HydrophobicContact CD1-CG2 4.16Å; F78-V101 HydrophobicContact CE1-CB 4.03Å; F78-V101 HydrophobicContact CE1-CG2 3.56Å; F78-V101 HydrophobicContact CZ-CG2 4.26Å; F78-F144 HydrophobicContact CB-CE1 4.37Å; F78-F144 HydrophobicContact CB-CE2 4.33Å; F78-F144 HydrophobicContact CB-CZ 3.67Å; F78-F144 AromaticContact CD1-CE1 3.97Å; F78-F144 HydrophobicContact CD1-CE1 3.97Å; F78-F144 HydrophobicContact CD1-CZ 4.07Å; F78-F144 HydrophobicContact CD2-CD1 4.02Å; F78-F144 AromaticContact CD2-CE1 3.39Å; F78-F144 HydrophobicContact CD2-CE1 3.39Å; F78-F144 HydrophobicContact CD2-CE2 4.17Å; F78-F144 AromaticContact CD2-CZ 3.47Å; F78-F144 HydrophobicContact CD2-CZ 3.47Å; F78-F144 VanDerWaalsContact CD2-CZ 3.47Å; F78-F144 HydrophobicContact CE1-CE1 4.09Å; F78-F144 AromaticContact CE2-CD1 3.88Å; F78-F144 HydrophobicContact CE2-CD1 3.88Å; F78-F144 AromaticContact CE2-CE1 3.53Å; F78-F144 HydrophobicContact CE2-CE1 3.53Å; F78-F144 HydrophobicContact CE2-CZ 4.11Å; F78-F144 AromaticContact CG-CE1 3.63Å; F78-F144 HydrophobicContact CG-CE1 3.63Å; F78-F144 HydrophobicContact CG-CE2 4.36Å; F78-F144 AromaticContact CG-CZ 3.44Å; F78-F144 HydrophobicContact CG-CZ 3.44Å; F78-F144 VanDerWaalsContact CG-CZ 3.44Å; F78-F144 HydrophobicContact CZ-CD1 4.39Å; F78-F144 AromaticContact CZ-CE1 3.87Å; F78-F144 HydrophobicContact CZ-CE1 3.87Å; F78-M177 HydrophobicContact CE1-CG 4.5Å; F78-M177 HydrophobicContact CZ-CG 4.04Å; F78-M177 HydrophobicContact CZ-SD 4.05Å
79	R	98.3	Very high	96.6	Very high	79 Å²	79	41.4 Å²	41.4	30%	0.298	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.3	179.4	-64.7	177.5	176.9	82.9	-1.1	108.8	I65 L98 T99 N182	I65-R79 HydrophobicContact CG1-CG 4.05Å; I65-R79 HydrophobicContact CG2-CG 4.45Å; R79-L98 HydrophobicContact CB-CB 4.25Å; R79-L98 WeakPolarHBondContact O-CB 3.48Å; R79-L98 PolarHBondContact O-N 3.22Å; R79-T99 PolarHBondContact N-OG1 3.38Å; R79-T99 PolarHBondContact O-N 3.25Å; R79-N182 PolarHBondContact NH1-O 3.42Å; R79-N182 PolarHBondContact NH2-O 2.71Å
80	F	98.6	Very high	96.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.8	175.9	-63.5	-98.6	0	0	0	109.2	L63 V64 V66 F78 V95 K96 C97 I106 V112 I140 F144	L63-F80 CarbonylContact C-O 3.56Å; L63-F80 WeakPolarHBondContact CA-O 3.45Å; V64-F80 HydrophobicContact CB-CB 4.26Å; V64-F80 PolarHBondContact N-O 3.2Å; V64-F80 PolarHBondContact O-N 3.16Å; V66-F80 HydrophobicContact CB-CE2 4.36Å; V66-F80 HydrophobicContact CG2-CD2 4.18Å; V66-F80 HydrophobicContact CG2-CE2 4.04Å; F78-F80 HydrophobicContact CB-CD2 4.47Å; F78-F80 HydrophobicContact CB-CE2 3.69Å; F78-F80 HydrophobicContact CB-CZ 4.35Å; F80-V95 HydrophobicContact CB-CG1 4.27Å; F80-V95 HydrophobicContact CD1-CG1 3.9Å; F80-K96 CarbonylContact C-O 3.51Å; F80-K96 VanDerWaalsContact CA-O 3.26Å; F80-K96 WeakPolarHBondContact CA-O 3.47Å; F80-C97 HydrophobicContact CD1-CB 3.81Å; F80-C97 HydrophobicContact CE1-CB 3.61Å; F80-C97 HydrophobicContact CZ-CB 4.38Å; F80-I106 HydrophobicContact CE1-CD1 4.13Å; F80-I106 HydrophobicContact CZ-CD1 4.01Å; F80-V112 HydrophobicContact CD1-CG2 4.22Å; F80-V112 HydrophobicContact CE1-CG2 4Å; F80-I140 HydrophobicContact CD1-CG2 3.95Å; F80-I140 HydrophobicContact CD2-CG2 3.57Å; F80-I140 HydrophobicContact CE1-CG2 3.85Å; F80-I140 HydrophobicContact CE2-CG2 3.48Å; F80-I140 VanDerWaalsContact CE2-CG2 3.48Å; F80-I140 HydrophobicContact CG-CG2 3.81Å; F80-I140 HydrophobicContact CZ-CG2 3.62Å; F80-F144 AromaticContact CE2-CE2 3.75Å; F80-F144 HydrophobicContact CE2-CE2 3.75Å; F80-F144 AromaticContact CE2-CZ 3.91Å; F80-F144 HydrophobicContact CE2-CZ 3.91Å; F80-F144 AromaticContact CZ-CE2 3.64Å; F80-F144 HydrophobicContact CZ-CE2 3.64Å; F80-F144 AromaticContact CZ-CZ 3.63Å; F80-F144 HydrophobicContact CZ-CZ 3.63Å
81	E	98.2	Very high	96.7	Very high	53 Å²	53	43.3 Å²	43.3	25%	0.248	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.7	167	-179.6	-178.7	82.3	0	0	108.7	Y61 L63 V95 K96 L98	Y61-E81 HydrophobicContact CD2-CG 4.33Å; Y61-E81 HydrophobicContact CE2-CG 3.51Å; Y61-E81 WeakPolarHBondContact CE2-OE2 3.44Å; Y61-E81 PolarHBondContact OH-OE2 2.98Å; L63-E81 HydrophobicContact CD2-CB 4.27Å; E81-V95 WeakPolarHBondContact O-CA 3.45Å; E81-K96 HydrophobicContact CB-CB 4.46Å; E81-K96 PolarHBondContact N-O 3.46Å; E81-K96 PolarHBondContact O-N 3.02Å; E81-L98 HydrophobicContact CB-CD1 4.18Å; E81-L98 HydrophobicContact CB-CD2 4.03Å; E81-L98 HydrophobicContact CB-CG 4.15Å
82	V	98.4	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.9	175.3	-174.4	0	0	0	0	109.1	Y61 F62 V64 P93 S94 V95 I140	Y61-V82 WeakPolarHBondContact CA-O 3.46Å; F62-V82 HydrophobicContact CD2-CB 3.94Å; F62-V82 HydrophobicContact CD2-CG2 4.26Å; F62-V82 HydrophobicContact CE1-CB 4.14Å; F62-V82 HydrophobicContact CE1-CG1 3.93Å; F62-V82 HydrophobicContact CE2-CB 3.5Å; F62-V82 HydrophobicContact CE2-CG1 3.79Å; F62-V82 HydrophobicContact CE2-CG2 3.75Å; F62-V82 HydrophobicContact CG-CB 4.43Å; F62-V82 HydrophobicContact CZ-CB 3.6Å; F62-V82 HydrophobicContact CZ-CG1 3.37Å; F62-V82 HydrophobicContact CZ-CG2 4.25Å; F62-V82 PolarHBondContact N-O 2.91Å; F62-V82 VanDerWaalsContact N-O 3.11Å; F62-V82 PolarHBondContact O-N 2.89Å; V64-V82 HydrophobicContact CG2-CG2 3.66Å; V82-P93 HydrophobicContact CG1-CB 3.74Å; V82-S94 WeakPolarHBondContact CA-O 3.34Å; V82-V95 HydrophobicContact CG1-CG2 4.36Å; V82-V95 HydrophobicContact CG2-CG2 4.19Å; V82-I140 HydrophobicContact CG2-CD1 4.33Å
83	T	98	Very high	96.8	Very high	45 Å²	45	39.2 Å²	39.2	28%	0.276	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.9	176.6	-58.6	0	0	0	0	110.2	H60 P93 S94	H60-T83 CarbonylContact O-C 3.32Å; H60-T83 WeakPolarHBondContact O-CA 2.96Å; T83-P93 CarbonylContact O-C 3.54Å; T83-P93 WeakPolarHBondContact O-CA 3.49Å; T83-S94 PolarHBondContact N-O 2.83Å; T83-S94 PolarHBondContact O-N 3.09Å; T83-S94 PolarHBondContact O-OG 3.28Å
84	V	97.6	Very high	96.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.247	C	C	.	.			trans	-96.5	117.7	-178.1	-174	0	0	0	0	109.6	R31 L35 H60 F62 Y88 P93 I133	R31-V84 HydrophobicContact CG-CG1 4Å; R31-V84 PolarHBondContact NH1-O 2.86Å; L35-V84 HydrophobicContact CD1-CB 4.01Å; L35-V84 HydrophobicContact CD1-CG1 4Å; L35-V84 HydrophobicContact CD1-CG2 4.17Å; L35-V84 HydrophobicContact CD2-CB 4.42Å; L35-V84 HydrophobicContact CD2-CG1 4.1Å; L35-V84 HydrophobicContact CD2-CG2 3.93Å; L35-V84 HydrophobicContact CG-CG1 4.38Å; H60-V84 HydrophobicContact CB-CB 3.99Å; H60-V84 PolarHBondContact O-N 2.78Å; F62-V84 HydrophobicContact CE1-CG2 3.89Å; V84-Y88 VanDerWaalsContact CG1-CB 3.44Å; V84-Y88 HydrophobicContact CG1-CD1 3.98Å; V84-Y88 HydrophobicContact CG1-CD2 3.65Å; V84-Y88 HydrophobicContact CG1-CE2 4.41Å; V84-Y88 HydrophobicContact CG1-CG 3.4Å; V84-P93 HydrophobicContact CG2-CB 4.27Å; V84-P93 HydrophobicContact CG2-CG 4.25Å; V84-I133 HydrophobicContact CG2-CD1 3.9Å
85	P	96.8	Very high	96.9	Very high	29 Å²	29	41.7 Å²	41.7	19%	0.188	24%	0.236	C	C	.	.			trans	-69.4	155.5	-176	31.4	-37.5	0	0	0	111.5	R31 E87 Y88 E91 P92	R31-P85 WeakPolarHBondContact CD-O 3.33Å; P85-E87 WeakPolarHBondContact CB-OE2 3.13Å; P85-E87 PolarHBondContact O-N 2.93Å; P85-E87 VanDerWaalsContact O-N 3.16Å; P85-Y88 VanDerWaalsContact O-CB 3.25Å; P85-Y88 WeakPolarHBondContact O-CB 3.36Å; P85-Y88 PolarHBondContact O-N 2.84Å; P85-Y88 VanDerWaalsContact O-N 3.1Å; P85-E91 HydrophobicContact CG-CB 3.93Å; P85-P92 WeakPolarHBondContact CD-O 3.42Å; P85-P92 WeakPolarHBondContact CG-O 3.21Å
86	P	95.7	Very high	97.1	Very high	91 Å²	91	43 Å²	43	59%	0.591	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.8	173.8	-26.6	35.3	0	0	0	114.6	Y88	P86-Y88 PolarHBondContact O-N 2.85Å
87	E	95.4	Very high	97.2	Very high	108 Å²	108	43 Å²	43	51%	0.505	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-2	-178.4	-61.3	70.2	-151.9	0	0	113.3	P85 N89 F90 E91	P85-E87 WeakPolarHBondContact CB-OE2 3.13Å; P85-E87 PolarHBondContact O-N 2.93Å; P85-E87 VanDerWaalsContact O-N 3.16Å; E87-N89 PolarHBondContact O-N 3.42Å; E87-F90 WeakPolarHBondContact O-CB 3.46Å; E87-F90 PolarHBondContact O-N 3.43Å; E87-E91 HydrophobicContact CB-CB 4.07Å; E87-E91 HydrophobicContact CB-CG 3.89Å; E87-E91 PolarHBondContact O-N 2.9Å
88	Y	96.1	Very high	97.2	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.016	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	133.9	175.8	-177.4	-97.4	0	0	0	111.7	R31 L34 L35 E38 V84 P85 P86 P93 W127 I133	R31-Y88 HydrophobicContact CG-CD1 4.24Å; R31-Y88 HydrophobicContact CG-CG 4.49Å; L34-Y88 HydrophobicContact CB-CD1 4.24Å; L34-Y88 HydrophobicContact CB-CE1 3.8Å; L34-Y88 HydrophobicContact CD1-CD1 4.01Å; L34-Y88 HydrophobicContact CD1-CE1 3.96Å; L35-Y88 HydrophobicContact CD2-CE1 4.21Å; E38-Y88 WeakPolarHBondContact OE1-CE1 3.36Å; E38-Y88 PolarHBondContact OE1-OH 2.88Å; E38-Y88 PolarHBondContact OE2-OH 3.31Å; V84-Y88 VanDerWaalsContact CG1-CB 3.44Å; V84-Y88 HydrophobicContact CG1-CD1 3.98Å; V84-Y88 HydrophobicContact CG1-CD2 3.65Å; V84-Y88 HydrophobicContact CG1-CE2 4.41Å; V84-Y88 HydrophobicContact CG1-CG 3.4Å; P85-Y88 VanDerWaalsContact O-CB 3.25Å; P85-Y88 WeakPolarHBondContact O-CB 3.36Å; P85-Y88 PolarHBondContact O-N 2.84Å; P85-Y88 VanDerWaalsContact O-N 3.1Å; P86-Y88 PolarHBondContact O-N 2.85Å; Y88-P93 HydrophobicContact CE2-CG 4.43Å; Y88-W127 HydrophobicContact CD2-CZ2 4.02Å; Y88-W127 AromaticContact CE2-CH2 3.7Å; Y88-W127 HydrophobicContact CE2-CH2 3.7Å; Y88-W127 AromaticContact CE2-CZ2 3.46Å; Y88-W127 HydrophobicContact CE2-CZ2 3.46Å; Y88-W127 VanDerWaalsContact CE2-CZ2 3.46Å; Y88-I133 HydrophobicContact CE2-CD1 4.42Å
89	N	94.1	Very high	97.2	Very high	32 Å²	32	47 Å²	47	17%	0.171	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.7	18.1	12.2	63.7	-22.1	0	0	0	115.7	L34 E87 W127 P129	L34-N89 HydrophobicContact CD1-CB 4.04Å; E87-N89 PolarHBondContact O-N 3.42Å; N89-W127 PolarHBondContact O-NE1 2.83Å; N89-P129 PolarHBondContact ND2-O 3.45Å
90	F	93.8	Very high	97.2	Very high	150 Å²	150	50.1 Å²	50.1	66%	0.658	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-37.1	175.8	-61	-77.2	0	0	0	112.2	E87 P129	E87-F90 WeakPolarHBondContact O-CB 3.46Å; E87-F90 PolarHBondContact O-N 3.43Å; F90-P129 HydrophobicContact CD1-CG 4.42Å
91	E	94.9	Very high	97.1	Very high	86 Å²	86	50.2 Å²	50.2	40%	0.402	25%	0.254	S	S	.	.	S	Bend	trans	-105.2	144.7	172.8	-68.9	-65.8	163.7	0	0	111.6	P85 E87 S119	P85-E91 HydrophobicContact CG-CB 3.93Å; E87-E91 HydrophobicContact CB-CB 4.07Å; E87-E91 HydrophobicContact CB-CG 3.89Å; E87-E91 PolarHBondContact O-N 2.9Å; E91-S119 WeakPolarHBondContact OE2-CB 3.35Å; E91-S119 PolarHBondContact OE2-OG 3.46Å
92	P	97	Very high	97.2	Very high	14 Å²	14	47.9 Å²	47.9	9%	0.091	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-68.9	156.3	178.1	25.4	-29	0	0	0	112	P85 L117 S119 W127	P85-P92 WeakPolarHBondContact CD-O 3.42Å; P85-P92 WeakPolarHBondContact CG-O 3.21Å; P92-L117 VanDerWaalsContact CG-O 3.3Å; P92-L117 WeakPolarHBondContact CG-O 3.28Å; P92-S119 WeakPolarHBondContact CD-OG 3.25Å; P92-S119 WeakPolarHBondContact CG-OG 3.48Å; P92-W127 HydrophobicContact CB-CB 3.83Å; P92-W127 HydrophobicContact CB-CD2 3.57Å; P92-W127 HydrophobicContact CB-CE3 3.86Å; P92-W127 HydrophobicContact CB-CG 3.53Å; P92-W127 HydrophobicContact CG-CB 3.99Å; P92-W127 HydrophobicContact CG-CG 4Å
93	P	97.8	Very high	97.2	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.019	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-58.9	148.3	162.7	-21.2	34.1	0	0	0	111.8	V82 T83 V84 Y88 I133 V136	V82-P93 HydrophobicContact CG1-CB 3.74Å; T83-P93 CarbonylContact O-C 3.54Å; T83-P93 WeakPolarHBondContact O-CA 3.49Å; V84-P93 HydrophobicContact CG2-CB 4.27Å; V84-P93 HydrophobicContact CG2-CG 4.25Å; Y88-P93 HydrophobicContact CE2-CG 4.43Å; P93-I133 HydrophobicContact CG-CD1 3.72Å; P93-V136 HydrophobicContact CG-CG2 4.19Å
94	S	97.9	Very high	97.2	Very high	73 Å²	73	45.8 Å²	45.8	51%	0.51	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	142.1	165.8	64.3	0	0	0	0	110.3	V82 T83	V82-S94 WeakPolarHBondContact CA-O 3.34Å; T83-S94 PolarHBondContact N-O 2.83Å; T83-S94 PolarHBondContact O-N 3.09Å; T83-S94 PolarHBondContact O-OG 3.28Å
95	V	98.6	Very high	97.2	Very high	20 Å²	20	46 Å²	46	12%	0.121	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132	-178.4	-178.8	0	0	0	0	109.8	F80 E81 V82 V112 L117 V136 I140	F80-V95 HydrophobicContact CB-CG1 4.27Å; F80-V95 HydrophobicContact CD1-CG1 3.9Å; E81-V95 WeakPolarHBondContact O-CA 3.45Å; V82-V95 HydrophobicContact CG1-CG2 4.36Å; V82-V95 HydrophobicContact CG2-CG2 4.19Å; V95-V112 HydrophobicContact CG1-CG2 4.24Å; V95-L117 HydrophobicContact CB-CD1 3.71Å; V95-L117 HydrophobicContact CG2-CD1 3.51Å; V95-L117 HydrophobicContact CG2-CD2 4.04Å; V95-L117 HydrophobicContact CG2-CG 4.43Å; V95-V136 HydrophobicContact CG2-CG1 3.91Å; V95-I140 HydrophobicContact CG1-CD1 3.74Å; V95-I140 HydrophobicContact CG1-CG1 4.2Å; V95-I140 HydrophobicContact CG2-CD1 4.16Å
96	K	98.6	Very high	97.3	Very high	103 Å²	103	44.7 Å²	44.7	45%	0.448	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.9	174.3	-174.3	178.9	-178.3	178.3	0	110.6	F80 E81 L98 G110	F80-K96 CarbonylContact C-O 3.51Å; F80-K96 VanDerWaalsContact CA-O 3.26Å; F80-K96 WeakPolarHBondContact CA-O 3.47Å; E81-K96 HydrophobicContact CB-CB 4.46Å; E81-K96 PolarHBondContact N-O 3.46Å; E81-K96 PolarHBondContact O-N 3.02Å; K96-L98 PolarHBondContact O-N 2.85Å; K96-G110 CarbonylContact C-O 3.53Å; K96-G110 WeakPolarHBondContact CA-O 3.34Å
97	C	98.6	Very high	97.4	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.6	169.9	-166.6	0	0	0	0	109.8	F80 T99 I106 G110 V112	F80-C97 HydrophobicContact CD1-CB 3.81Å; F80-C97 HydrophobicContact CE1-CB 3.61Å; F80-C97 HydrophobicContact CZ-CB 4.38Å; C97-T99 PolarHBondContact SG-O 2.89Å; C97-I106 HydrophobicContact CB-CG2 3.64Å; C97-G110 PolarHBondContact N-O 3.28Å; C97-G110 WeakPolarHBondContact O-CA 3.4Å; C97-V112 HydrophobicContact CB-CG2 4.17Å
98	L	98.2	Very high	97.5	Very high	82 Å²	82	39.6 Å²	39.6	43%	0.429	19%	0.193	S	C	.	.			trans	-90.1	-25	177.1	-56.5	-178.4	0	0	0	112	L63 R79 E81 K96	L63-L98 HydrophobicContact CD2-CD1 3.91Å; R79-L98 HydrophobicContact CB-CB 4.25Å; R79-L98 WeakPolarHBondContact O-CB 3.48Å; R79-L98 PolarHBondContact O-N 3.22Å; E81-L98 HydrophobicContact CB-CD1 4.18Å; E81-L98 HydrophobicContact CB-CD2 4.03Å; E81-L98 HydrophobicContact CB-CG 4.15Å; K96-L98 PolarHBondContact O-N 2.85Å
99	T	98.2	Very high	97.5	Very high	12 Å²	12	43.2 Å²	43.2	7%	0.074	22%	0.224	C	C	.	.	S	Bend	trans	-87.3	120.5	176.4	-56.8	0	0	0	0	109.6	C77 F78 R79 C97 V101 H180	C77-T99 PolarHBondContact O-OG1 3.21Å; F78-T99 HydrophobicContact CD1-CG2 3.96Å; R79-T99 PolarHBondContact N-OG1 3.38Å; R79-T99 PolarHBondContact O-N 3.25Å; C97-T99 PolarHBondContact SG-O 2.89Å; T99-V101 PolarHBondContact O-N 3.02Å; T99-H180 HydrophobicContact CG2-CB 4.13Å
100	R	98.1	Very high	97.7	Very high	143 Å²	143	41.8 Å²	41.8	54%	0.54	22%	0.217	S	C	.	.			trans	-58.8	130.4	170.7	-72.9	-168.4	-177.1	-157.5	2.8	110.2	H180	R100-H180 HydrophobicContact CB-CB 4.4Å; R100-H180 WeakPolarHBondContact O-CB 3.32Å
101	V	98.3	Very high	97.9	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	21%	0.208	C	C	.	.			trans	-142.5	142.9	-175.7	63.5	0	0	0	0	110.2	Y73 F78 T99 H103 I106	Y73-V101 HydrophobicContact CD1-CG2 4.35Å; Y73-V101 HydrophobicContact CE1-CG2 4.01Å; F78-V101 HydrophobicContact CD1-CB 4.25Å; F78-V101 HydrophobicContact CD1-CG2 4.16Å; F78-V101 HydrophobicContact CE1-CB 4.03Å; F78-V101 HydrophobicContact CE1-CG2 3.56Å; F78-V101 HydrophobicContact CZ-CG2 4.26Å; T99-V101 PolarHBondContact O-N 3.02Å; V101-H103 HydrophobicContact CG1-CB 3.95Å; V101-H103 HydrophobicContact CG2-CB 4.09Å; V101-H103 PolarHBondContact O-N 3.05Å; V101-I106 HydrophobicContact CG1-CB 3.89Å; V101-I106 HydrophobicContact CG1-CD1 4.18Å; V101-I106 HydrophobicContact CG1-CG2 3.69Å
102	W	98.4	Very high	98.1	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.015	20%	0.196	C	C	.	.			trans	-88.3	97.7	169.8	-167	-109.3	0	0	0	108.6	Y73 E108 D157 A158 M161 F169 K172 V173 Y176	Y73-W102 WeakPolarHBondContact CE1-O 3.37Å; Y73-W102 PolarHBondContact OH-O 3Å; Y73-W102 VanDerWaalsContact OH-O 3.1Å; W102-E108 WeakPolarHBondContact CZ3-OE1 3.37Å; W102-D157 HydrophobicContact CH2-CB 3.62Å; W102-D157 HydrophobicContact CZ2-CB 4.1Å; W102-A158 HydrophobicContact CD2-CB 4.33Å; W102-A158 HydrophobicContact CZ2-CB 4.03Å; W102-M161 HydrophobicContact CZ2-CE 4.19Å; W102-M161 HydrophobicContact CZ2-SD 4.22Å; W102-F169 AromaticContact CD1-CD2 3.8Å; W102-F169 AromaticContact CD1-CE2 3.55Å; W102-F169 AromaticContact NE1-CD2 3.59Å; W102-F169 AromaticContact NE1-CE2 3.65Å; W102-K172 HydrophobicContact CD2-CD 3.81Å; W102-K172 HydrophobicContact CD2-CG 4.17Å; W102-K172 HydrophobicContact CE3-CD 4.38Å; W102-K172 HydrophobicContact CG-CD 4.1Å; W102-K172 HydrophobicContact CG-CG 3.96Å; W102-K172 HydrophobicContact CZ2-CD 4Å; W102-V173 HydrophobicContact CB-CG2 4.42Å; W102-Y176 HydrophobicContact CB-CD1 3.96Å; W102-Y176 HydrophobicContact CB-CD2 4.08Å; W102-Y176 HydrophobicContact CB-CE1 4.29Å; W102-Y176 HydrophobicContact CB-CE2 4.41Å; W102-Y176 HydrophobicContact CB-CG 3.84Å; W102-Y176 HydrophobicContact CE3-CE1 4.26Å; W102-Y176 HydrophobicContact CE3-CE2 4.38Å; W102-Y176 AromaticContact CE3-CZ 3.92Å
103	H	98.6	Very high	98	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-146.5	140.4	-170.1	-166.3	-76.3	0	0	0	111.1	Y73 V101 N105 I106 L143 N155	Y73-H103 AromaticContact CE1-CD2 3.99Å; Y73-H103 AromaticContact CE2-CD2 3.45Å; Y73-H103 VanDerWaalsContact CE2-CD2 3.45Å; Y73-H103 WeakPolarHBondContact CE2-CD2 3.4Å; Y73-H103 AromaticContact CE2-NE2 3.68Å; Y73-H103 AromaticContact CZ-CD2 3.23Å; Y73-H103 AromaticContact CZ-NE2 3.92Å; Y73-H103 WeakPolarHBondContact OH-CA 3.35Å; Y73-H103 PolarHBondContact OH-CD2 3.19Å; V101-H103 HydrophobicContact CG1-CB 3.95Å; V101-H103 HydrophobicContact CG2-CB 4.09Å; V101-H103 PolarHBondContact O-N 3.05Å; H103-N105 PolarHBondContact CE1-OD1 2.53Å; H103-N105 PolarHBondContact ND1-N 3.06Å; H103-I106 HydrophobicContact CB-CB 3.93Å; H103-I106 HydrophobicContact CB-CD1 4.47Å; H103-I106 HydrophobicContact CB-CG1 4.35Å; H103-I106 PolarHBondContact ND1-N 2.98Å; H103-L143 PolarHBondContact CE1-O 2.83Å; H103-L143 VanDerWaalsContact CE1-O 3.29Å; H103-L143 PolarHBondContact NE2-O 3.31Å; H103-N155 WeakPolarHBondContact O-CB 3.21Å
104	P	98.3	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-38.1	179.4	27.4	-36	0	0	0	113.3	I148 D149 F150 P153 L154 N155	P104-I148 HydrophobicContact CG-CG2 3.68Å; P104-D149 WeakPolarHBondContact CB-O 3.46Å; P104-F150 HydrophobicContact CB-CD1 3.75Å; P104-F150 HydrophobicContact CB-CE1 4.02Å; P104-F150 HydrophobicContact CB-CG 4.44Å; P104-F150 HydrophobicContact CG-CD1 3.75Å; P104-F150 HydrophobicContact CG-CE1 3.63Å; P104-F150 HydrophobicContact CG-CG 4.33Å; P104-F150 HydrophobicContact CG-CZ 4.08Å; P104-P153 HydrophobicContact CB-CB 4.09Å; P104-P153 CarbonylContact O-C 3.58Å; P104-L154 PolarHBondContact O-N 2.61Å; P104-N155 PolarHBondContact O-N 3.44Å
105	N	98.5	Very high	97.7	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.032	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	5.8	-179.3	-42.5	99.1	0	0	0	115.2	H103 C113 L143 D149	H103-N105 PolarHBondContact CE1-OD1 2.53Å; H103-N105 PolarHBondContact ND1-N 3.06Å; N105-C113 HydrophobicContact CB-CB 4.3Å; N105-C113 PolarHBondContact O-N 2.8Å; N105-L143 HydrophobicContact CB-CD2 4.05Å; N105-D149 PolarHBondContact ND2-O 2.96Å; N105-D149 PolarHBondContact OD1-N 2.86Å; N105-D149 PolarHBondContact OD1-O 2.66Å
106	I	98.5	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-131	124.7	176.9	-53.1	169.6	0	0	0	108.2	F80 C97 V101 H103 S111 V112 L143 F144	F80-I106 HydrophobicContact CE1-CD1 4.13Å; F80-I106 HydrophobicContact CZ-CD1 4.01Å; C97-I106 HydrophobicContact CB-CG2 3.64Å; V101-I106 HydrophobicContact CG1-CB 3.89Å; V101-I106 HydrophobicContact CG1-CD1 4.18Å; V101-I106 HydrophobicContact CG1-CG2 3.69Å; H103-I106 HydrophobicContact CB-CB 3.93Å; H103-I106 HydrophobicContact CB-CD1 4.47Å; H103-I106 HydrophobicContact CB-CG1 4.35Å; H103-I106 PolarHBondContact ND1-N 2.98Å; I106-S111 CarbonylContact C-O 3.59Å; I106-S111 WeakPolarHBondContact CA-O 3.46Å; I106-V112 HydrophobicContact CG1-CG2 4.49Å; I106-V112 HydrophobicContact CG2-CG2 4.35Å; I106-L143 HydrophobicContact CD1-CD1 4.39Å; I106-L143 HydrophobicContact CG1-CD1 4.38Å; I106-F144 HydrophobicContact CD1-CE1 4.44Å; I106-F144 HydrophobicContact CD1-CZ 4.07Å
107	S	97.8	Very high	97.3	Very high	23 Å²	23	30.2 Å²	30.2	16%	0.161	17%	0.174	C	C	.	.			trans	-77.3	156.1	177.8	79.9	0	0	0	0	111.3	A109 G110 S111	S107-A109 PolarHBondContact O-N 2.94Å; S107-A109 PolarHBondContact OG-N 3.11Å; S107-G110 PolarHBondContact O-N 3.22Å; S107-G110 PolarHBondContact OG-N 3Å; S107-S111 PolarHBondContact N-O 3Å; S107-S111 WeakPolarHBondContact OG-CB 3.2Å; S107-S111 PolarHBondContact OG-N 3.42Å
108	E	96.8	Very high	97.1	Very high	69 Å²	69	34.3 Å²	34.3	32%	0.322	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.7	173.8	-71.8	-166.8	-127.4	0	0	113.4	W102 G110 Y176	W102-E108 WeakPolarHBondContact CZ3-OE1 3.37Å; E108-G110 VanDerWaalsContact C-N 3.28Å; E108-Y176 HydrophobicContact CG-CE1 4.36Å; E108-Y176 PolarHBondContact OE1-OH 3.43Å; E108-Y176 PolarHBondContact OE2-OH 2.77Å
109	A	97.3	Very high	96.5	Very high	80 Å²	80	33.1 Å²	33.1	66%	0.661	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.9	173.4	0	0	0	0	0	113.3	S107	S107-A109 PolarHBondContact O-N 2.94Å; S107-A109 PolarHBondContact OG-N 3.11Å
110	G	97.9	Very high	95.7	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.031	23%	0.227	C	C	.	.			trans	98.6	4.8	175.8	0	0	0	0	0	115.5	K96 C97 S107 E108	K96-G110 CarbonylContact C-O 3.53Å; K96-G110 WeakPolarHBondContact CA-O 3.34Å; C97-G110 PolarHBondContact N-O 3.28Å; C97-G110 WeakPolarHBondContact O-CA 3.4Å; S107-G110 PolarHBondContact O-N 3.22Å; S107-G110 PolarHBondContact OG-N 3Å; E108-G110 VanDerWaalsContact C-N 3.28Å
111	S	98.1	Very high	94.8	Very high	67 Å²	67	35.5 Å²	35.5	47%	0.469	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-68.5	140.4	173.5	-54.8	0	0	0	0	110	I106 S107 L154	I106-S111 CarbonylContact C-O 3.59Å; I106-S111 WeakPolarHBondContact CA-O 3.46Å; S107-S111 PolarHBondContact N-O 3Å; S107-S111 WeakPolarHBondContact OG-CB 3.2Å; S107-S111 PolarHBondContact OG-N 3.42Å; S111-L154 VanDerWaalsContact O-CD2 3.29Å; S111-L154 WeakPolarHBondContact O-CD2 3.41Å
112	V	98.2	Very high	94.1	Very high	24 Å²	24	42.7 Å²	42.7	15%	0.145	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-120	125.2	-175.6	179.7	0	0	0	0	109.7	F80 V95 C97 I106 L114 L143	F80-V112 HydrophobicContact CD1-CG2 4.22Å; F80-V112 HydrophobicContact CE1-CG2 4Å; V95-V112 HydrophobicContact CG1-CG2 4.24Å; C97-V112 HydrophobicContact CB-CG2 4.17Å; I106-V112 HydrophobicContact CG1-CG2 4.49Å; I106-V112 HydrophobicContact CG2-CG2 4.35Å; V112-L114 HydrophobicContact CG1-CB 4.04Å; V112-L143 HydrophobicContact CG1-CD1 3.46Å; V112-L143 VanDerWaalsContact CG1-CD1 3.46Å
113	C	96.1	Very high	93.6	Very high	33 Å²	33	46.3 Å²	46.3	22%	0.223	28%	0.276	C	S	.	.			trans	-93.1	100.9	168.5	-173.2	0	0	0	0	108.7	N105 L154	N105-C113 HydrophobicContact CB-CB 4.3Å; N105-C113 PolarHBondContact O-N 2.8Å; C113-L154 HydrophobicContact CB-CB 4.09Å; C113-L154 HydrophobicContact CB-CD2 4.29Å
114	L	95.7	Very high	92.9	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	30%	0.302	C	S	.	.			trans	-132.9	121.1	176.6	-178.9	63.3	0	0	0	108.8	V112 V116 L117 I140 L143 L147	V112-L114 HydrophobicContact CG1-CB 4.04Å; L114-V116 HydrophobicContact CD2-CG1 3.53Å; L114-V116 HydrophobicContact CG-CB 4.39Å; L114-V116 HydrophobicContact CG-CG1 3.71Å; L114-V116 PolarHBondContact O-N 2.93Å; L114-L117 HydrophobicContact CB-CD1 4.01Å; L114-L117 HydrophobicContact CB-CG 4.14Å; L114-L117 HydrophobicContact CD2-CD1 4.16Å; L114-L117 HydrophobicContact CD2-CG 4.09Å; L114-L117 HydrophobicContact CG-CG 4.34Å; L114-L117 WeakPolarHBondContact O-CB 3.47Å; L114-L117 PolarHBondContact O-N 3.38Å; L114-I140 HydrophobicContact CD2-CG1 4.1Å; L114-L143 HydrophobicContact CB-CD1 4.4Å; L114-L143 HydrophobicContact CD1-CD1 4.38Å; L114-L143 HydrophobicContact CD1-CD2 4.07Å; L114-L143 HydrophobicContact CD1-CG 4.06Å; L114-L147 HydrophobicContact CD1-CD1 3.88Å
115	S	93.3	Very high	92.5	Very high	37 Å²	37	53.9 Å²	53.9	26%	0.259	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-55.7	-38.2	-174	52.5	0	0	0	0	112.9	L117 R118 M125 G126	S115-L117 PolarHBondContact O-N 2.76Å; S115-R118 WeakPolarHBondContact O-CB 3.35Å; S115-R118 WeakPolarHBondContact O-CG 3.49Å; S115-R118 PolarHBondContact O-N 3.31Å; S115-M125 CarbonylContact C-O 3.57Å; S115-G126 WeakPolarHBondContact O-CA 3.36Å
116	V	94.5	Very high	92.2	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.048	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-58.8	-22.1	179.1	89.5	0	0	0	0	113.7	L114 W127 V136	L114-V116 HydrophobicContact CD2-CG1 3.53Å; L114-V116 HydrophobicContact CG-CB 4.39Å; L114-V116 HydrophobicContact CG-CG1 3.71Å; L114-V116 PolarHBondContact O-N 2.93Å; V116-W127 WeakPolarHBondContact O-CA 3.33Å; V116-W127 WeakPolarHBondContact O-CB 3.36Å; V116-W127 PolarHBondContact O-N 3.31Å; V116-V136 HydrophobicContact CG1-CG2 4.4Å
117	L	94.8	Very high	92.1	Very high	29 Å²	29	54.7 Å²	54.7	15%	0.152	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-92.6	0.3	-178.6	-55.4	179	0	0	0	113.2	P92 V95 L114 S115 S119 V136	P92-L117 VanDerWaalsContact CG-O 3.3Å; P92-L117 WeakPolarHBondContact CG-O 3.28Å; V95-L117 HydrophobicContact CB-CD1 3.71Å; V95-L117 HydrophobicContact CG2-CD1 3.51Å; V95-L117 HydrophobicContact CG2-CD2 4.04Å; V95-L117 HydrophobicContact CG2-CG 4.43Å; L114-L117 HydrophobicContact CB-CD1 4.01Å; L114-L117 HydrophobicContact CB-CG 4.14Å; L114-L117 HydrophobicContact CD2-CD1 4.16Å; L114-L117 HydrophobicContact CD2-CG 4.09Å; L114-L117 HydrophobicContact CG-CG 4.34Å; L114-L117 WeakPolarHBondContact O-CB 3.47Å; L114-L117 PolarHBondContact O-N 3.38Å; S115-L117 PolarHBondContact O-N 2.76Å; L117-S119 PolarHBondContact O-N 2.88Å; L117-V136 HydrophobicContact CD2-CG1 4.05Å; L117-V136 HydrophobicContact CD2-CG2 4.04Å
118	R	92.8	Very high	91.9	Very high	89 Å²	89	56.3 Å²	56.3	34%	0.336	34%	0.337	S	S	.	.			trans	-78.8	112.3	-179.6	-62.4	174.8	-177.2	175	-3.6	109.6	S115 L120 D123 G126 W127	S115-R118 WeakPolarHBondContact O-CB 3.35Å; S115-R118 WeakPolarHBondContact O-CG 3.49Å; S115-R118 PolarHBondContact O-N 3.31Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 3.23Å; R118-D123 IonicContact NH1-OD2 3.47Å; R118-G126 WeakPolarHBondContact O-CA 3.32Å; R118-W127 PolarHBondContact O-N 3.35Å
119	S	86.9	Confident	91.7	Very high	58 Å²	58	56.1 Å²	56.1	41%	0.406	34%	0.342	S	S	.	.	S	Bend	trans	-62	-32.4	179.7	-57.9	0	0	0	0	113.6	E91 P92 L117	E91-S119 WeakPolarHBondContact OE2-CB 3.35Å; E91-S119 PolarHBondContact OE2-OG 3.46Å; P92-S119 WeakPolarHBondContact CD-OG 3.25Å; P92-S119 WeakPolarHBondContact CG-OG 3.48Å; L117-S119 PolarHBondContact O-N 2.88Å
120	L	80.3	Confident	91.5	Very high	172 Å²	172	56.9 Å²	56.9	90%	0.901	35%	0.348	S	S	*	.	S	Bend	trans	-128.9	92.6	-179.7	-64.7	172.9	0	0	0	109	R118	R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 3.23Å
121	S	80.9	Confident	91.4	Very high	33 Å²	33	59.8 Å²	59.8	23%	0.231	36%	0.359	C	S	.	.			trans	-114.6	124.7	179.2	-147.9	0	0	0	0	111.1	D123 G126	S121-D123 VanDerWaalsContact C-N 3.33Å; S121-D123 WeakPolarHBondContact CB-OD1 3.38Å; S121-D123 PolarHBondContact OG-OD1 3.44Å; S121-G126 VanDerWaalsContact CB-N 3.32Å
122	T	82.7	Confident	91.2	Very high	154 Å²	154	57 Å²	57	95%	0.945	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-19.4	179.3	50.9	0	0	0	0	113	G124	T122-G124 VanDerWaalsContact C-N 3.35Å
123	D	87	Confident	91.1	Very high	80 Å²	80	55.8 Å²	55.8	43%	0.428	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-1.9	-179.6	61	11	0	0	0	113.8	R118 S121 M125	R118-D123 IonicContact NH1-OD2 3.47Å; S121-D123 VanDerWaalsContact C-N 3.33Å; S121-D123 WeakPolarHBondContact CB-OD1 3.38Å; S121-D123 PolarHBondContact OG-OD1 3.44Å; D123-M125 HydrophobicContact CB-CG 4.4Å; D123-M125 PolarHBondContact O-N 2.86Å; D123-M125 WeakPolarHBondContact OD1-CB 3.37Å; D123-M125 PolarHBondContact OD1-N 2.89Å
124	G	85.3	Confident	91.1	Very high	54 Å²	54	59.6 Å²	59.6	56%	0.557	35%	0.345	S	S	*	.	S	Bend	trans	72.5	0.1	-175.3	0	0	0	0	0	115.1	T122 G126	T122-G124 VanDerWaalsContact C-N 3.35Å; G124-G126 VanDerWaalsContact C-N 3.3Å
125	M	88.2	Confident	91.1	Very high	105 Å²	105	61.5 Å²	61.5	52%	0.517	36%	0.356	S	S	.	.			trans	-83.2	-10.7	178.9	-60.7	-62.5	171	0	0	112.9	S115 D123	S115-M125 CarbonylContact C-O 3.57Å; D123-M125 HydrophobicContact CB-CG 4.4Å; D123-M125 PolarHBondContact O-N 2.86Å; D123-M125 WeakPolarHBondContact OD1-CB 3.37Å; D123-M125 PolarHBondContact OD1-N 2.89Å
126	G	93	Very high	91.2	Very high	4 Å²	4	59.7 Å²	59.7	4%	0.041	34%	0.343	C	S	.	.	S	Bend	trans	-64.3	-178.5	179.6	0	0	0	0	0	115.9	S115 R118 S121 G124 R131	S115-G126 WeakPolarHBondContact O-CA 3.36Å; R118-G126 WeakPolarHBondContact O-CA 3.32Å; S121-G126 VanDerWaalsContact CB-N 3.32Å; G124-G126 VanDerWaalsContact C-N 3.3Å; G126-R131 PolarHBondContact O-NE 2.82Å
127	W	96.4	Very high	91.3	Very high	19 Å²	19	59.3 Å²	59.3	7%	0.072	34%	0.341	C	S	.	.			trans	-62	140.9	170.6	-173.4	-107.4	0	0	0	110.5	Y88 N89 P92 V116 R118 R131 V136	Y88-W127 HydrophobicContact CD2-CZ2 4.02Å; Y88-W127 AromaticContact CE2-CH2 3.7Å; Y88-W127 HydrophobicContact CE2-CH2 3.7Å; Y88-W127 AromaticContact CE2-CZ2 3.46Å; Y88-W127 HydrophobicContact CE2-CZ2 3.46Å; Y88-W127 VanDerWaalsContact CE2-CZ2 3.46Å; N89-W127 PolarHBondContact O-NE1 2.83Å; P92-W127 HydrophobicContact CB-CB 3.83Å; P92-W127 HydrophobicContact CB-CD2 3.57Å; P92-W127 HydrophobicContact CB-CE3 3.86Å; P92-W127 HydrophobicContact CB-CG 3.53Å; P92-W127 HydrophobicContact CG-CB 3.99Å; P92-W127 HydrophobicContact CG-CG 4Å; V116-W127 WeakPolarHBondContact O-CA 3.33Å; V116-W127 WeakPolarHBondContact O-CB 3.36Å; V116-W127 PolarHBondContact O-N 3.31Å; R118-W127 PolarHBondContact O-N 3.35Å; W127-R131 HydrophobicContact CE3-CB 4.04Å; W127-R131 HydrophobicContact CH2-CB 4.01Å; W127-R131 VanDerWaalsContact CH2-O 3.27Å; W127-R131 WeakPolarHBondContact CH2-O 3.38Å; W127-R131 HydrophobicContact CZ3-CB 3.69Å; W127-V136 HydrophobicContact CZ3-CG2 3.86Å
128	N	93.8	Very high	91.4	Very high	56 Å²	56	63.8 Å²	63.8	30%	0.299	36%	0.359	S	S	.	.			trans	-150.6	157.3	166.3	65.1	74.5	0	0	0	108.9	A130 R131	N128-A130 PolarHBondContact O-N 3.38Å; N128-A130 WeakPolarHBondContact OD1-CA 3.42Å; N128-A130 VanDerWaalsContact OD1-CB 3.26Å; N128-A130 WeakPolarHBondContact OD1-CB 3.3Å; N128-A130 PolarHBondContact OD1-N 3.24Å; N128-R131 PolarHBondContact ND2-NE 2.99Å; N128-R131 WeakPolarHBondContact O-CB 3.18Å; N128-R131 PolarHBondContact O-N 2.97Å; N128-R131 PolarHBondContact OD1-N 2.82Å
129	P	93.5	Very high	91.6	Very high	66 Å²	66	59.8 Å²	59.8	43%	0.429	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-12.4	-176	-26.9	36.3	0	0	0	115.8	N89 F90 R131	N89-P129 PolarHBondContact ND2-O 3.45Å; F90-P129 HydrophobicContact CD1-CG 4.42Å; P129-R131 VanDerWaalsContact C-N 3.34Å
130	A	93	Very high	92.1	Very high	95 Å²	95	57 Å²	57	79%	0.785	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.8	174.9	0	0	0	0	0	113.1	N128	N128-A130 PolarHBondContact O-N 3.38Å; N128-A130 WeakPolarHBondContact OD1-CA 3.42Å; N128-A130 VanDerWaalsContact OD1-CB 3.26Å; N128-A130 WeakPolarHBondContact OD1-CB 3.3Å; N128-A130 PolarHBondContact OD1-N 3.24Å
131	R	94.4	Very high	92.9	Very high	65 Å²	65	50.8 Å²	50.8	25%	0.245	29%	0.291	C	S	.	.			trans	-84.6	147.1	172.4	-58.8	-172.1	179.3	-82	4.3	110.3	G126 W127 N128 P129 D135	G126-R131 PolarHBondContact O-NE 2.82Å; W127-R131 HydrophobicContact CE3-CB 4.04Å; W127-R131 HydrophobicContact CH2-CB 4.01Å; W127-R131 VanDerWaalsContact CH2-O 3.27Å; W127-R131 WeakPolarHBondContact CH2-O 3.38Å; W127-R131 HydrophobicContact CZ3-CB 3.69Å; N128-R131 PolarHBondContact ND2-NE 2.99Å; N128-R131 WeakPolarHBondContact O-CB 3.18Å; N128-R131 PolarHBondContact O-N 2.97Å; N128-R131 PolarHBondContact OD1-N 2.82Å; P129-R131 VanDerWaalsContact C-N 3.34Å; R131-D135 WeakPolarHBondContact CA-OD2 3.48Å; R131-D135 HydrophobicContact CB-CB 4.35Å
132	G	94.4	Very high	93.6	Very high	7 Å²	7	49.5 Å²	49.5	7%	0.072	28%	0.283	C	S	.	.			trans	-128.2	-174.5	176.6	0	0	0	0	0	113	E38 K134 D135 V136	E38-G132 WeakPolarHBondContact OE2-CA 3.43Å; G132-K134 PolarHBondContact O-N 3.1Å; G132-D135 PolarHBondContact N-OD2 3.2Å; G132-D135 WeakPolarHBondContact O-CB 3.38Å; G132-D135 PolarHBondContact O-N 3.38Å; G132-V136 PolarHBondContact O-N 3.34Å
133	I	96	Very high	94.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-33.7	179.9	-58.4	-51.3	0	0	0	111.7	L35 E38 L42 F62 V84 Y88 P93 D135 V136 V137	L35-I133 HydrophobicContact CD2-CD1 3.95Å; L35-I133 HydrophobicContact CD2-CG1 3.73Å; E38-I133 WeakPolarHBondContact OE2-CG1 3.36Å; E38-I133 PolarHBondContact OE2-N 3.11Å; L42-I133 HydrophobicContact CD1-CG2 3.93Å; L42-I133 HydrophobicContact CD2-CG2 4.07Å; F62-I133 HydrophobicContact CE1-CD1 4.46Å; F62-I133 HydrophobicContact CE1-CG2 4.29Å; F62-I133 HydrophobicContact CE2-CG2 3.92Å; F62-I133 HydrophobicContact CZ-CD1 4.19Å; F62-I133 HydrophobicContact CZ-CG1 4.43Å; F62-I133 HydrophobicContact CZ-CG2 3.42Å; F62-I133 VanDerWaalsContact CZ-CG2 3.42Å; V84-I133 HydrophobicContact CG2-CD1 3.9Å; Y88-I133 HydrophobicContact CE2-CD1 4.42Å; P93-I133 HydrophobicContact CG-CD1 3.72Å; I133-D135 VanDerWaalsContact C-N 3.27Å; I133-D135 PolarHBondContact O-N 3.16Å; I133-V136 PolarHBondContact O-N 3.36Å; I133-V137 HydrophobicContact CG2-CG2 4.22Å; I133-V137 WeakPolarHBondContact O-CG2 3.38Å; I133-V137 PolarHBondContact O-N 3.25Å
134	K	95.5	Very high	94.8	Very high	112 Å²	112	38.8 Å²	38.8	49%	0.487	22%	0.22	S	C	.	.	H	α-helix	trans	-58.3	-39.3	175.3	69.4	179.3	-176.3	176.5	0	112.2	L42 A45 G132 V137 F138	L42-K134 HydrophobicContact CD2-CB 4.3Å; A45-K134 HydrophobicContact CB-CB 4.31Å; G132-K134 PolarHBondContact O-N 3.1Å; K134-V137 PolarHBondContact O-N 3.12Å; K134-F138 WeakPolarHBondContact O-CB 3.41Å; K134-F138 PolarHBondContact O-N 2.94Å
135	D	95.5	Very high	95.3	Very high	48 Å²	48	37.8 Å²	37.8	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-73.2	-35.1	-177.6	-55.2	-65.4	0	0	0	110.2	R131 G132 I133 G139	R131-D135 WeakPolarHBondContact CA-OD2 3.48Å; R131-D135 HydrophobicContact CB-CB 4.35Å; G132-D135 PolarHBondContact N-OD2 3.2Å; G132-D135 WeakPolarHBondContact O-CB 3.38Å; G132-D135 PolarHBondContact O-N 3.38Å; I133-D135 VanDerWaalsContact C-N 3.27Å; I133-D135 PolarHBondContact O-N 3.16Å; D135-G139 PolarHBondContact O-N 2.8Å
136	V	96.8	Very high	95.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-49.5	171.2	176.7	0	0	0	0	110.6	P93 V95 V116 L117 W127 G132 I133 F138 G139 I140	P93-V136 HydrophobicContact CG-CG2 4.19Å; V95-V136 HydrophobicContact CG2-CG1 3.91Å; V116-V136 HydrophobicContact CG1-CG2 4.4Å; L117-V136 HydrophobicContact CD2-CG1 4.05Å; L117-V136 HydrophobicContact CD2-CG2 4.04Å; W127-V136 HydrophobicContact CZ3-CG2 3.86Å; G132-V136 PolarHBondContact O-N 3.34Å; I133-V136 PolarHBondContact O-N 3.36Å; V136-F138 VanDerWaalsContact C-N 3.33Å; V136-F138 PolarHBondContact O-N 3.45Å; V136-G139 PolarHBondContact O-N 2.99Å; V136-I140 HydrophobicContact CG1-CD1 3.91Å; V136-I140 HydrophobicContact CG1-CG1 4.45Å; V136-I140 VanDerWaalsContact O-CG1 3.28Å; V136-I140 WeakPolarHBondContact O-CG1 3.48Å; V136-I140 PolarHBondContact O-N 3.11Å
137	V	96.8	Very high	95.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-39.2	-179.6	-179.9	0	0	0	0	111.5	L42 L46 C50 V52 V64 I133 K134 I140 Y141	L42-V137 HydrophobicContact CD2-CG2 4.47Å; L46-V137 HydrophobicContact CD2-CB 4.03Å; L46-V137 HydrophobicContact CD2-CG1 3.4Å; L46-V137 HydrophobicContact CD2-CG2 4.32Å; C50-V137 HydrophobicContact CB-CG1 4.3Å; V52-V137 HydrophobicContact CG2-CG2 4.45Å; V64-V137 HydrophobicContact CG1-CG1 3.82Å; V64-V137 HydrophobicContact CG1-CG2 4.37Å; V64-V137 HydrophobicContact CG2-CG2 3.86Å; I133-V137 HydrophobicContact CG2-CG2 4.22Å; I133-V137 WeakPolarHBondContact O-CG2 3.38Å; I133-V137 PolarHBondContact O-N 3.25Å; K134-V137 PolarHBondContact O-N 3.12Å; V137-I140 PolarHBondContact O-N 3.47Å; V137-Y141 PolarHBondContact O-N 2.9Å
138	F	95.8	Very high	95.6	Very high	122 Å²	122	44.4 Å²	44.4	54%	0.535	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-45.7	173.8	-172.2	-89.3	0	0	0	111.4	P47 K134 V136 I140 Y141 A142	P47-F138 HydrophobicContact CG-CD2 3.94Å; K134-F138 WeakPolarHBondContact O-CB 3.41Å; K134-F138 PolarHBondContact O-N 2.94Å; V136-F138 VanDerWaalsContact C-N 3.33Å; V136-F138 PolarHBondContact O-N 3.45Å; F138-I140 PolarHBondContact O-N 3.45Å; F138-Y141 WeakPolarHBondContact O-CB 3.4Å; F138-Y141 PolarHBondContact O-N 3.05Å; F138-A142 HydrophobicContact CE1-CB 4.47Å; F138-A142 WeakPolarHBondContact O-CB 3.05Å; F138-A142 PolarHBondContact O-N 3.23Å
139	G	96.5	Very high	95.7	Very high	6 Å²	6	44.5 Å²	44.5	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-43.6	176.2	0	0	0	0	0	112.8	D135 V136 Y141 A142 L143	D135-G139 PolarHBondContact O-N 2.8Å; V136-G139 PolarHBondContact O-N 2.99Å; G139-Y141 VanDerWaalsContact C-N 3.34Å; G139-Y141 PolarHBondContact O-N 2.98Å; G139-A142 PolarHBondContact O-N 2.94Å; G139-L143 PolarHBondContact O-N 3.49Å; G139-L143 VanDerWaalsContact O-N 3.09Å
140	I	97.8	Very high	95.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-42.9	175.3	-64.7	166	0	0	0	110.9	V66 F80 V82 V95 L114 V136 V137 F138 L143 F144	V66-I140 HydrophobicContact CG2-CG2 3.9Å; F80-I140 HydrophobicContact CD1-CG2 3.95Å; F80-I140 HydrophobicContact CD2-CG2 3.57Å; F80-I140 HydrophobicContact CE1-CG2 3.85Å; F80-I140 HydrophobicContact CE2-CG2 3.48Å; F80-I140 VanDerWaalsContact CE2-CG2 3.48Å; F80-I140 HydrophobicContact CG-CG2 3.81Å; F80-I140 HydrophobicContact CZ-CG2 3.62Å; V82-I140 HydrophobicContact CG2-CD1 4.33Å; V95-I140 HydrophobicContact CG1-CD1 3.74Å; V95-I140 HydrophobicContact CG1-CG1 4.2Å; V95-I140 HydrophobicContact CG2-CD1 4.16Å; L114-I140 HydrophobicContact CD2-CG1 4.1Å; V136-I140 HydrophobicContact CG1-CD1 3.91Å; V136-I140 HydrophobicContact CG1-CG1 4.45Å; V136-I140 VanDerWaalsContact O-CG1 3.28Å; V136-I140 WeakPolarHBondContact O-CG1 3.48Å; V136-I140 PolarHBondContact O-N 3.11Å; V137-I140 PolarHBondContact O-N 3.47Å; F138-I140 PolarHBondContact O-N 3.45Å; I140-L143 WeakPolarHBondContact O-CB 3.34Å; I140-L143 PolarHBondContact O-N 3.43Å; I140-F144 WeakPolarHBondContact O-CD2 3.27Å
141	Y	96.9	Very high	96	Very high	40 Å²	40	45.1 Å²	45.1	16%	0.157	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-47	175.8	179.5	-92.9	0	0	0	111.4	P47 P48 C50 V66 V137 F138 G139 L143 F144	P47-Y141 HydrophobicContact CB-CD1 3.89Å; P47-Y141 HydrophobicContact CB-CD2 3.84Å; P47-Y141 HydrophobicContact CB-CE1 4.23Å; P47-Y141 HydrophobicContact CB-CE2 4.17Å; P47-Y141 HydrophobicContact CB-CG 3.7Å; P47-Y141 HydrophobicContact CG-CD1 4.19Å; P47-Y141 HydrophobicContact CG-CD2 4.43Å; P47-Y141 HydrophobicContact CG-CG 3.91Å; P48-Y141 VanDerWaalsContact O-CE2 3.25Å; P48-Y141 WeakPolarHBondContact O-CE2 3.25Å; C50-Y141 WeakPolarHBondContact SG-CD2 3.37Å; V66-Y141 HydrophobicContact CG1-CD2 3.82Å; V66-Y141 HydrophobicContact CG1-CE2 4.48Å; V137-Y141 PolarHBondContact O-N 2.9Å; F138-Y141 WeakPolarHBondContact O-CB 3.4Å; F138-Y141 PolarHBondContact O-N 3.05Å; G139-Y141 VanDerWaalsContact C-N 3.34Å; G139-Y141 PolarHBondContact O-N 2.98Å; Y141-L143 PolarHBondContact O-N 3.21Å; Y141-F144 PolarHBondContact O-N 3.45Å
142	A	96.4	Very high	95.9	Very high	7 Å²	7	46.6 Å²	46.6	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-20.7	-176.8	0	0	0	0	0	113.1	F138 G139 F144 G145 D146 L147	F138-A142 HydrophobicContact CE1-CB 4.47Å; F138-A142 WeakPolarHBondContact O-CB 3.05Å; F138-A142 PolarHBondContact O-N 3.23Å; G139-A142 PolarHBondContact O-N 2.94Å; A142-F144 PolarHBondContact O-N 2.79Å; A142-F144 VanDerWaalsContact O-N 3.13Å; A142-G145 CarbonylContact O-C 3.58Å; A142-G145 PolarHBondContact O-N 3.06Å; A142-D146 PolarHBondContact O-N 3.28Å; A142-L147 HydrophobicContact CB-CB 4.26Å; A142-L147 HydrophobicContact CB-CD1 3.71Å; A142-L147 HydrophobicContact CB-CG 3.71Å; A142-L147 WeakPolarHBondContact O-CB 3.41Å; A142-L147 PolarHBondContact O-N 2.94Å
143	L	97.1	Very high	96	Very high	3 Å²	3	47 Å²	47	2%	0.016	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23	169.4	-72.9	175.3	0	0	0	113	H103 N105 I106 V112 L114 G139 I140 Y141 L147 I148	H103-L143 PolarHBondContact CE1-O 2.83Å; H103-L143 VanDerWaalsContact CE1-O 3.29Å; H103-L143 PolarHBondContact NE2-O 3.31Å; N105-L143 HydrophobicContact CB-CD2 4.05Å; I106-L143 HydrophobicContact CD1-CD1 4.39Å; I106-L143 HydrophobicContact CG1-CD1 4.38Å; V112-L143 HydrophobicContact CG1-CD1 3.46Å; V112-L143 VanDerWaalsContact CG1-CD1 3.46Å; L114-L143 HydrophobicContact CB-CD1 4.4Å; L114-L143 HydrophobicContact CD1-CD1 4.38Å; L114-L143 HydrophobicContact CD1-CD2 4.07Å; L114-L143 HydrophobicContact CD1-CG 4.06Å; G139-L143 PolarHBondContact O-N 3.49Å; G139-L143 VanDerWaalsContact O-N 3.09Å; I140-L143 WeakPolarHBondContact O-CB 3.34Å; I140-L143 PolarHBondContact O-N 3.43Å; Y141-L143 PolarHBondContact O-N 3.21Å; L143-L147 HydrophobicContact CD2-CB 4.24Å; L143-I148 WeakPolarHBondContact O-CG1 3.38Å
144	F	97.3	Very high	96	Very high	5 Å²	5	50.5 Å²	50.5	2%	0.022	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6	177.4	-61.7	-82.3	0	0	0	113.8	V66 P68 Y73 F78 F80 I106 I140 Y141 A142	V66-F144 HydrophobicContact CB-CE2 4.22Å; V66-F144 HydrophobicContact CG1-CD2 3.79Å; V66-F144 HydrophobicContact CG1-CE2 3.94Å; P68-F144 HydrophobicContact CB-CB 4.14Å; P68-F144 HydrophobicContact CG-CB 3.6Å; P68-F144 HydrophobicContact CG-CD1 4.07Å; P68-F144 HydrophobicContact CG-CD2 4.22Å; P68-F144 HydrophobicContact CG-CG 3.7Å; Y73-F144 HydrophobicContact CD1-CD1 4.26Å; Y73-F144 HydrophobicContact CD2-CB 4.16Å; Y73-F144 AromaticContact CD2-CD1 3.71Å; Y73-F144 HydrophobicContact CD2-CD1 3.71Å; Y73-F144 HydrophobicContact CD2-CG 4.44Å; Y73-F144 HydrophobicContact CE2-CD1 4.29Å; Y73-F144 AromaticContact CG-CD1 3.68Å; Y73-F144 HydrophobicContact CG-CD1 3.68Å; Y73-F144 HydrophobicContact CG-CE1 4.42Å; F78-F144 HydrophobicContact CB-CE1 4.37Å; F78-F144 HydrophobicContact CB-CE2 4.33Å; F78-F144 HydrophobicContact CB-CZ 3.67Å; F78-F144 AromaticContact CD1-CE1 3.97Å; F78-F144 HydrophobicContact CD1-CE1 3.97Å; F78-F144 HydrophobicContact CD1-CZ 4.07Å; F78-F144 HydrophobicContact CD2-CD1 4.02Å; F78-F144 AromaticContact CD2-CE1 3.39Å; F78-F144 HydrophobicContact CD2-CE1 3.39Å; F78-F144 HydrophobicContact CD2-CE2 4.17Å; F78-F144 AromaticContact CD2-CZ 3.47Å; F78-F144 HydrophobicContact CD2-CZ 3.47Å; F78-F144 VanDerWaalsContact CD2-CZ 3.47Å; F78-F144 HydrophobicContact CE1-CE1 4.09Å; F78-F144 AromaticContact CE2-CD1 3.88Å; F78-F144 HydrophobicContact CE2-CD1 3.88Å; F78-F144 AromaticContact CE2-CE1 3.53Å; F78-F144 HydrophobicContact CE2-CE1 3.53Å; F78-F144 HydrophobicContact CE2-CZ 4.11Å; F78-F144 AromaticContact CG-CE1 3.63Å; F78-F144 HydrophobicContact CG-CE1 3.63Å; F78-F144 HydrophobicContact CG-CE2 4.36Å; F78-F144 AromaticContact CG-CZ 3.44Å; F78-F144 HydrophobicContact CG-CZ 3.44Å; F78-F144 VanDerWaalsContact CG-CZ 3.44Å; F78-F144 HydrophobicContact CZ-CD1 4.39Å; F78-F144 AromaticContact CZ-CE1 3.87Å; F78-F144 HydrophobicContact CZ-CE1 3.87Å; F80-F144 AromaticContact CE2-CE2 3.75Å; F80-F144 HydrophobicContact CE2-CE2 3.75Å; F80-F144 AromaticContact CE2-CZ 3.91Å; F80-F144 HydrophobicContact CE2-CZ 3.91Å; F80-F144 AromaticContact CZ-CE2 3.64Å; F80-F144 HydrophobicContact CZ-CE2 3.64Å; F80-F144 AromaticContact CZ-CZ 3.63Å; F80-F144 HydrophobicContact CZ-CZ 3.63Å; I106-F144 HydrophobicContact CD1-CE1 4.44Å; I106-F144 HydrophobicContact CD1-CZ 4.07Å; I140-F144 WeakPolarHBondContact O-CD2 3.27Å; Y141-F144 PolarHBondContact O-N 3.45Å; A142-F144 PolarHBondContact O-N 2.79Å; A142-F144 VanDerWaalsContact O-N 3.13Å
145	G	95.3	Very high	96.1	Very high	34 Å²	34	46 Å²	46	35%	0.351	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-147.3	-103.9	179.1	0	0	0	0	0	111.1	A142 L147 I148	A142-G145 CarbonylContact O-C 3.58Å; A142-G145 PolarHBondContact O-N 3.06Å; G145-L147 VanDerWaalsContact C-N 3.27Å; G145-L147 PolarHBondContact O-N 3.41Å; G145-I148 WeakPolarHBondContact O-CG1 3.44Å; G145-I148 PolarHBondContact O-N 3.35Å; G145-I148 VanDerWaalsContact O-N 3.16Å
146	D	93.8	Very high	96.2	Very high	156 Å²	156	49.7 Å²	49.7	83%	0.834	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.2	-169.6	-61.8	-25.2	0	0	0	115.4	A142	A142-D146 PolarHBondContact O-N 3.28Å
147	L	95.6	Very high	96.2	Very high	75 Å²	75	55.1 Å²	55.1	39%	0.393	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	12.7	-179.8	-61.5	-176.9	0	0	0	113.5	L114 A142 L143 G145 D149	L114-L147 HydrophobicContact CD1-CD1 3.88Å; A142-L147 HydrophobicContact CB-CB 4.26Å; A142-L147 HydrophobicContact CB-CD1 3.71Å; A142-L147 HydrophobicContact CB-CG 3.71Å; A142-L147 WeakPolarHBondContact O-CB 3.41Å; A142-L147 PolarHBondContact O-N 2.94Å; L143-L147 HydrophobicContact CD2-CB 4.24Å; G145-L147 VanDerWaalsContact C-N 3.27Å; G145-L147 PolarHBondContact O-N 3.41Å; L147-D149 PolarHBondContact O-N 2.99Å
148	I	96.4	Very high	96.3	Very high	36 Å²	36	55.1 Å²	55.1	19%	0.185	29%	0.291	C	S	.	.			trans	-66.8	117.3	168.4	-62	166.6	0	0	0	108.2	M72 Y73 P104 L143 G145 F150	M72-I148 HydrophobicContact CE-CD1 4.06Å; Y73-I148 HydrophobicContact CD2-CD1 4.24Å; Y73-I148 HydrophobicContact CE2-CD1 3.81Å; Y73-I148 HydrophobicContact CE2-CG1 4.45Å; P104-I148 HydrophobicContact CG-CG2 3.68Å; L143-I148 WeakPolarHBondContact O-CG1 3.38Å; G145-I148 WeakPolarHBondContact O-CG1 3.44Å; G145-I148 PolarHBondContact O-N 3.35Å; G145-I148 VanDerWaalsContact O-N 3.16Å; I148-F150 HydrophobicContact CG2-CD2 3.94Å; I148-F150 HydrophobicContact CG2-CE2 3.37Å; I148-F150 HydrophobicContact CG2-CZ 3.73Å
149	D	95.7	Very high	96.4	Very high	58 Å²	58	49.5 Å²	49.5	31%	0.31	27%	0.266	S	S	.	.			trans	-123.1	118.8	177.4	-171.4	2.4	0	0	0	111.5	P104 N105 L147 N151	P104-D149 WeakPolarHBondContact CB-O 3.46Å; N105-D149 PolarHBondContact ND2-O 2.96Å; N105-D149 PolarHBondContact OD1-N 2.86Å; N105-D149 PolarHBondContact OD1-O 2.66Å; L147-D149 PolarHBondContact O-N 2.99Å; D149-N151 WeakPolarHBondContact OD1-CB 3.44Å; D149-N151 PolarHBondContact OD1-N 3Å; D149-N151 PolarHBondContact OD1-ND2 3.14Å
150	F	96.4	Very high	96.5	Very high	29 Å²	29	52.5 Å²	52.5	13%	0.127	29%	0.287	C	S	.	.	S	Bend	trans	-95.8	-6.9	176.8	-65.1	-80.9	0	0	0	113.4	M72 P104 I148 A159 Y162 F169	M72-F150 HydrophobicContact CE-CZ 4.18Å; P104-F150 HydrophobicContact CB-CD1 3.75Å; P104-F150 HydrophobicContact CB-CE1 4.02Å; P104-F150 HydrophobicContact CB-CG 4.44Å; P104-F150 HydrophobicContact CG-CD1 3.75Å; P104-F150 HydrophobicContact CG-CE1 3.63Å; P104-F150 HydrophobicContact CG-CG 4.33Å; P104-F150 HydrophobicContact CG-CZ 4.08Å; I148-F150 HydrophobicContact CG2-CD2 3.94Å; I148-F150 HydrophobicContact CG2-CE2 3.37Å; I148-F150 HydrophobicContact CG2-CZ 3.73Å; F150-A159 HydrophobicContact CD1-CB 4.33Å; F150-Y162 AromaticContact CD1-CD1 3.82Å; F150-Y162 HydrophobicContact CD1-CD1 3.82Å; F150-Y162 AromaticContact CD1-CG 3.81Å; F150-Y162 HydrophobicContact CD1-CG 3.81Å; F150-Y162 AromaticContact CD2-CD1 3.87Å; F150-Y162 HydrophobicContact CD2-CD1 3.87Å; F150-Y162 AromaticContact CD2-CE1 3.92Å; F150-Y162 HydrophobicContact CD2-CE1 3.92Å; F150-Y162 HydrophobicContact CD2-CG 4.42Å; F150-Y162 VanDerWaalsContact CE1-CB 3.47Å; F150-Y162 AromaticContact CE1-CD1 3.85Å; F150-Y162 HydrophobicContact CE1-CD1 3.85Å; F150-Y162 AromaticContact CE1-CD2 3.87Å; F150-Y162 HydrophobicContact CE1-CD2 3.87Å; F150-Y162 AromaticContact CE1-CG 3.44Å; F150-Y162 HydrophobicContact CE1-CG 3.44Å; F150-Y162 VanDerWaalsContact CE1-CG 3.44Å; F150-Y162 AromaticContact CE2-CD1 3.9Å; F150-Y162 HydrophobicContact CE2-CD1 3.9Å; F150-Y162 HydrophobicContact CE2-CD2 4.26Å; F150-Y162 AromaticContact CE2-CE1 3.84Å; F150-Y162 HydrophobicContact CE2-CE1 3.84Å; F150-Y162 HydrophobicContact CE2-CE2 4.19Å; F150-Y162 HydrophobicContact CE2-CG 4.11Å; F150-Y162 AromaticContact CE2-CZ 3.99Å; F150-Y162 AromaticContact CG-CD1 3.82Å; F150-Y162 HydrophobicContact CG-CD1 3.82Å; F150-Y162 HydrophobicContact CG-CE1 4.33Å; F150-Y162 HydrophobicContact CG-CG 4.27Å; F150-Y162 AromaticContact CZ-CD1 3.89Å; F150-Y162 HydrophobicContact CZ-CD1 3.89Å; F150-Y162 AromaticContact CZ-CD2 3.64Å; F150-Y162 HydrophobicContact CZ-CD2 3.64Å; F150-Y162 HydrophobicContact CZ-CE1 4.18Å; F150-Y162 AromaticContact CZ-CE2 3.95Å; F150-Y162 HydrophobicContact CZ-CE2 3.95Å; F150-Y162 AromaticContact CZ-CG 3.61Å; F150-Y162 HydrophobicContact CZ-CG 3.61Å; F150-F169 HydrophobicContact CE1-CE2 4.04Å; F150-F169 HydrophobicContact CE1-CZ 4.02Å; F150-F169 HydrophobicContact CZ-CE1 4.38Å; F150-F169 HydrophobicContact CZ-CZ 4.19Å
151	N	94.8	Very high	96.5	Very high	145 Å²	145	53.6 Å²	53.6	78%	0.775	29%	0.292	S	S	*	.	S	Bend	trans	-89.2	-35.7	-178.7	-57.8	-53.7	0	0	0	112.2	D149 P153	D149-N151 WeakPolarHBondContact OD1-CB 3.44Å; D149-N151 PolarHBondContact OD1-N 3Å; D149-N151 PolarHBondContact OD1-ND2 3.14Å; N151-P153 WeakPolarHBondContact O-CD 3.34Å
152	D	92.4	Very high	96.6	Very high	96 Å²	96	55.3 Å²	55.3	51%	0.513	30%	0.299	S	S	.	.	S	Bend	trans	-119.9	66.2	172.6	-171.4	29.9	0	0	0	111.5
153	P	96.2	Very high	96.6	Very high	15 Å²	15	61.4 Å²	61.4	10%	0.097	33%	0.326	C	S	.	.			trans	-82.1	146.1	-172.6	35.4	-37.4	0	0	0	112.2	P104 N151 A159	P104-P153 HydrophobicContact CB-CB 4.09Å; P104-P153 CarbonylContact O-C 3.58Å; N151-P153 WeakPolarHBondContact O-CD 3.34Å; P153-A159 HydrophobicContact CB-CB 3.65Å; P153-A159 HydrophobicContact CG-CB 3.55Å
154	L	96.3	Very high	96.7	Very high	73 Å²	73	69.5 Å²	69.5	38%	0.382	36%	0.357	S	S	.	.	S	Bend	trans	-78.1	-31.7	164.1	-173.1	65.1	0	0	0	111.6	P104 S111 C113	P104-L154 PolarHBondContact O-N 2.61Å; S111-L154 VanDerWaalsContact O-CD2 3.29Å; S111-L154 WeakPolarHBondContact O-CD2 3.41Å; C113-L154 HydrophobicContact CB-CB 4.09Å; C113-L154 HydrophobicContact CB-CD2 4.29Å
155	N	97.7	Very high	96.7	Very high	17 Å²	17	72.5 Å²	72.5	9%	0.091	37%	0.373	C	S	.	.			trans	-108.8	92.1	176.7	-176.2	-17.1	0	0	0	109.2	H103 P104 D157 A158 A159	H103-N155 WeakPolarHBondContact O-CB 3.21Å; P104-N155 PolarHBondContact O-N 3.44Å; N155-D157 VanDerWaalsContact C-N 3.28Å; N155-D157 PolarHBondContact O-N 3.34Å; N155-D157 PolarHBondContact OD1-N 2.83Å; N155-A158 HydrophobicContact CB-CB 3.97Å; N155-A158 VanDerWaalsContact CG-CB 3.47Å; N155-A158 PolarHBondContact O-N 3.34Å; N155-A158 PolarHBondContact OD1-N 3.34Å; N155-A159 PolarHBondContact O-N 3.37Å
156	H	97.8	Very high	96.8	Very high	127 Å²	127	73.1 Å²	73.1	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-60.7	-36.3	-179.6	-65.9	-72.1	0	0	0	112.5	A158 A159 S160	H156-A158 PolarHBondContact O-N 3.44Å; H156-A159 PolarHBondContact O-N 2.91Å; H156-S160 WeakPolarHBondContact O-CB 3.48Å; H156-S160 PolarHBondContact O-N 3.47Å; H156-S160 PolarHBondContact O-OG 3.01Å; H156-S160 VanDerWaalsContact O-OG 3.14Å
157	D	98	Very high	97	Very high	114 Å²	114	67.8 Å²	67.8	61%	0.61	35%	0.348	S	S	*	.	H	α-helix	trans	-64.4	-40.6	179.2	-64.9	-28.2	0	0	0	111.9	W102 N155 A159 M161	W102-D157 HydrophobicContact CH2-CB 3.62Å; W102-D157 HydrophobicContact CZ2-CB 4.1Å; N155-D157 VanDerWaalsContact C-N 3.28Å; N155-D157 PolarHBondContact O-N 3.34Å; N155-D157 PolarHBondContact OD1-N 2.83Å; D157-A159 VanDerWaalsContact C-N 3.34Å; D157-M161 VanDerWaalsContact O-CB 3.22Å; D157-M161 WeakPolarHBondContact O-CB 3.44Å; D157-M161 PolarHBondContact O-N 3.31Å
158	A	98.2	Very high	97.1	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-42.9	174.7	0	0	0	0	0	111.3	W102 N155 H156 Y162 F169	W102-A158 HydrophobicContact CD2-CB 4.33Å; W102-A158 HydrophobicContact CZ2-CB 4.03Å; N155-A158 HydrophobicContact CB-CB 3.97Å; N155-A158 VanDerWaalsContact CG-CB 3.47Å; N155-A158 PolarHBondContact O-N 3.34Å; N155-A158 PolarHBondContact OD1-N 3.34Å; H156-A158 PolarHBondContact O-N 3.44Å; A158-Y162 PolarHBondContact O-N 2.91Å; A158-Y162 VanDerWaalsContact O-N 3.08Å; A158-F169 HydrophobicContact CB-CE2 4.12Å; A158-F169 WeakPolarHBondContact O-CD2 3.46Å
159	A	98.1	Very high	97.2	Very high	3 Å²	3	65.3 Å²	65.3	3%	0.025	33%	0.334	C	S	.	.	H	α-helix	trans	-69.8	-46.2	178.7	0	0	0	0	0	113.5	F150 P153 N155 H156 D157 M161 Y162 Q163	F150-A159 HydrophobicContact CD1-CB 4.33Å; P153-A159 HydrophobicContact CB-CB 3.65Å; P153-A159 HydrophobicContact CG-CB 3.55Å; N155-A159 PolarHBondContact O-N 3.37Å; H156-A159 PolarHBondContact O-N 2.91Å; D157-A159 VanDerWaalsContact C-N 3.34Å; A159-M161 VanDerWaalsContact C-N 3.3Å; A159-M161 PolarHBondContact O-N 2.58Å; A159-Y162 PolarHBondContact O-N 3.27Å; A159-Y162 VanDerWaalsContact O-N 3.16Å; A159-Q163 WeakPolarHBondContact O-CG 3.45Å; A159-Q163 PolarHBondContact O-N 2.76Å
160	S	98.2	Very high	97.3	Very high	70 Å²	70	68.1 Å²	68.1	49%	0.49	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-38.5	176.2	-63	0	0	0	0	111.8	H156 Q163 R164	H156-S160 WeakPolarHBondContact O-CB 3.48Å; H156-S160 PolarHBondContact O-N 3.47Å; H156-S160 PolarHBondContact O-OG 3.01Å; H156-S160 VanDerWaalsContact O-OG 3.14Å; S160-Q163 PolarHBondContact O-N 2.92Å; S160-R164 WeakPolarHBondContact O-CB 3.11Å; S160-R164 PolarHBondContact O-N 3.48Å
161	M	98.5	Very high	97.4	Very high	23 Å²	23	72.7 Å²	72.7	11%	0.113	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-44.9	173.7	-178	177.8	-75.9	0	0	111.5	W102 D157 A159 Q163 R164 D165 E168 F169 K172	W102-M161 HydrophobicContact CZ2-CE 4.19Å; W102-M161 HydrophobicContact CZ2-SD 4.22Å; D157-M161 VanDerWaalsContact O-CB 3.22Å; D157-M161 WeakPolarHBondContact O-CB 3.44Å; D157-M161 PolarHBondContact O-N 3.31Å; A159-M161 VanDerWaalsContact C-N 3.3Å; A159-M161 PolarHBondContact O-N 2.58Å; M161-Q163 PolarHBondContact O-N 3.02Å; M161-R164 PolarHBondContact O-N 2.95Å; M161-D165 CarbonylContact O-C 3.41Å; M161-D165 PolarHBondContact O-N 2.85Å; M161-E168 HydrophobicContact CG-CG 4.37Å; M161-E168 HydrophobicContact SD-CG 4.21Å; M161-F169 HydrophobicContact CG-CB 4.07Å; M161-F169 HydrophobicContact SD-CB 4.41Å; M161-K172 HydrophobicContact CE-CD 3.71Å; M161-K172 HydrophobicContact SD-CB 4.2Å; M161-K172 HydrophobicContact SD-CD 3.68Å
162	Y	98.1	Very high	97.6	Very high	76 Å²	76	68.2 Å²	68.2	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-42.2	177.8	-175.2	-98.1	0	0	0	112.3	F150 A158 A159 R164 P166 F169	F150-Y162 AromaticContact CD1-CD1 3.82Å; F150-Y162 HydrophobicContact CD1-CD1 3.82Å; F150-Y162 AromaticContact CD1-CG 3.81Å; F150-Y162 HydrophobicContact CD1-CG 3.81Å; F150-Y162 AromaticContact CD2-CD1 3.87Å; F150-Y162 HydrophobicContact CD2-CD1 3.87Å; F150-Y162 AromaticContact CD2-CE1 3.92Å; F150-Y162 HydrophobicContact CD2-CE1 3.92Å; F150-Y162 HydrophobicContact CD2-CG 4.42Å; F150-Y162 VanDerWaalsContact CE1-CB 3.47Å; F150-Y162 AromaticContact CE1-CD1 3.85Å; F150-Y162 HydrophobicContact CE1-CD1 3.85Å; F150-Y162 AromaticContact CE1-CD2 3.87Å; F150-Y162 HydrophobicContact CE1-CD2 3.87Å; F150-Y162 AromaticContact CE1-CG 3.44Å; F150-Y162 HydrophobicContact CE1-CG 3.44Å; F150-Y162 VanDerWaalsContact CE1-CG 3.44Å; F150-Y162 AromaticContact CE2-CD1 3.9Å; F150-Y162 HydrophobicContact CE2-CD1 3.9Å; F150-Y162 HydrophobicContact CE2-CD2 4.26Å; F150-Y162 AromaticContact CE2-CE1 3.84Å; F150-Y162 HydrophobicContact CE2-CE1 3.84Å; F150-Y162 HydrophobicContact CE2-CE2 4.19Å; F150-Y162 HydrophobicContact CE2-CG 4.11Å; F150-Y162 AromaticContact CE2-CZ 3.99Å; F150-Y162 AromaticContact CG-CD1 3.82Å; F150-Y162 HydrophobicContact CG-CD1 3.82Å; F150-Y162 HydrophobicContact CG-CE1 4.33Å; F150-Y162 HydrophobicContact CG-CG 4.27Å; F150-Y162 AromaticContact CZ-CD1 3.89Å; F150-Y162 HydrophobicContact CZ-CD1 3.89Å; F150-Y162 AromaticContact CZ-CD2 3.64Å; F150-Y162 HydrophobicContact CZ-CD2 3.64Å; F150-Y162 HydrophobicContact CZ-CE1 4.18Å; F150-Y162 AromaticContact CZ-CE2 3.95Å; F150-Y162 HydrophobicContact CZ-CE2 3.95Å; F150-Y162 AromaticContact CZ-CG 3.61Å; F150-Y162 HydrophobicContact CZ-CG 3.61Å; A158-Y162 PolarHBondContact O-N 2.91Å; A158-Y162 VanDerWaalsContact O-N 3.08Å; A159-Y162 PolarHBondContact O-N 3.27Å; A159-Y162 VanDerWaalsContact O-N 3.16Å; Y162-R164 VanDerWaalsContact C-N 3.33Å; Y162-R164 PolarHBondContact O-N 3.43Å; Y162-P166 HydrophobicContact CD2-CB 4.25Å; Y162-P166 HydrophobicContact CE2-CB 4Å; Y162-P166 VanDerWaalsContact O-CD 3.31Å; Y162-P166 WeakPolarHBondContact O-CD 3.28Å; Y162-P166 VanDerWaalsContact O-CG 3.31Å; Y162-P166 WeakPolarHBondContact O-CG 3.39Å; Y162-F169 HydrophobicContact CD2-CB 4.14Å; Y162-F169 AromaticContact CD2-CD1 3.71Å; Y162-F169 HydrophobicContact CD2-CD1 3.71Å; Y162-F169 HydrophobicContact CD2-CD2 4.41Å; Y162-F169 HydrophobicContact CD2-CE1 4.28Å; Y162-F169 AromaticContact CD2-CG 3.8Å; Y162-F169 HydrophobicContact CD2-CG 3.8Å; Y162-F169 HydrophobicContact CE2-CD1 4.44Å; Y162-F169 HydrophobicContact CG-CG 4.42Å
163	Q	97.3	Very high	97.9	Very high	135 Å²	135	63.7 Å²	63.7	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-63.7	-38	176.8	-71.7	177.3	3.6	0	0	112.3	A159 S160 M161	A159-Q163 WeakPolarHBondContact O-CG 3.45Å; A159-Q163 PolarHBondContact O-N 2.76Å; S160-Q163 PolarHBondContact O-N 2.92Å; M161-Q163 PolarHBondContact O-N 3.02Å
164	R	97.9	Very high	97.9	Very high	173 Å²	173	70 Å²	70	65%	0.653	34%	0.339	S	S	*	.	H	α-helix	trans	-75.9	-51	-179.9	-177.6	-178.4	66.6	157.2	-0.6	112.6	S160 M161 Y162 E168	S160-R164 WeakPolarHBondContact O-CB 3.11Å; S160-R164 PolarHBondContact O-N 3.48Å; M161-R164 PolarHBondContact O-N 2.95Å; Y162-R164 VanDerWaalsContact C-N 3.33Å; Y162-R164 PolarHBondContact O-N 3.43Å; R164-E168 IonicContact CZ-OE2 3.77Å; R164-E168 IonicContact NE-OE2 2.98Å; R164-E168 VanDerWaalsContact NH2-CD 3.28Å; R164-E168 IonicContact NH2-OE1 2.6Å; R164-E168 PolarHBondContact NH2-OE1 3.11Å; R164-E168 VanDerWaalsContact NH2-OE1 3.1Å; R164-E168 IonicContact NH2-OE2 3.1Å; R164-E168 PolarHBondContact NH2-OE2 3.01Å
165	D	98	Very high	98	Very high	67 Å²	67	70.4 Å²	70.4	36%	0.358	34%	0.339	S	S	.	.			trans	-149.6	96.6	-177.1	-173.3	-17.6	0	0	0	110.7	M161 A167 E168 F169	M161-D165 CarbonylContact O-C 3.41Å; M161-D165 PolarHBondContact O-N 2.85Å; D165-A167 PolarHBondContact O-N 3.49Å; D165-A167 WeakPolarHBondContact OD1-CA 3.14Å; D165-A167 VanDerWaalsContact OD1-CB 3.29Å; D165-A167 WeakPolarHBondContact OD1-CB 3.13Å; D165-A167 PolarHBondContact OD1-N 2.84Å; D165-E168 HydrophobicContact CB-CB 3.79Å; D165-E168 PolarHBondContact O-N 2.86Å; D165-E168 PolarHBondContact OD1-N 3.32Å; D165-F169 PolarHBondContact O-N 3.13Å
166	P	97.7	Very high	98	Very high	48 Å²	48	71 Å²	71	31%	0.312	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-26	176	-24.7	32.6	0	0	0	114.1	Y162 R170	Y162-P166 HydrophobicContact CD2-CB 4.25Å; Y162-P166 HydrophobicContact CE2-CB 4Å; Y162-P166 VanDerWaalsContact O-CD 3.31Å; Y162-P166 WeakPolarHBondContact O-CD 3.28Å; Y162-P166 VanDerWaalsContact O-CG 3.31Å; Y162-P166 WeakPolarHBondContact O-CG 3.39Å; P166-R170 WeakPolarHBondContact O-CG 3.38Å; P166-R170 VanDerWaalsContact O-CZ 3.31Å; P166-R170 PolarHBondContact O-N 3.04Å; P166-R170 VanDerWaalsContact O-N 3.15Å; P166-R170 PolarHBondContact O-NH1 2.81Å
167	A	98.1	Very high	98	Very high	44 Å²	44	66.1 Å²	66.1	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-75.3	-44.2	178.7	0	0	0	0	0	111	D165 F169 R170 M171	D165-A167 PolarHBondContact O-N 3.49Å; D165-A167 WeakPolarHBondContact OD1-CA 3.14Å; D165-A167 VanDerWaalsContact OD1-CB 3.29Å; D165-A167 WeakPolarHBondContact OD1-CB 3.13Å; D165-A167 PolarHBondContact OD1-N 2.84Å; A167-F169 VanDerWaalsContact C-N 3.32Å; A167-F169 PolarHBondContact O-N 3.27Å; A167-R170 PolarHBondContact O-N 3.03Å; A167-M171 WeakPolarHBondContact O-CG 3.27Å; A167-M171 PolarHBondContact O-N 3.07Å
168	E	98.2	Very high	98	Very high	58 Å²	58	69.2 Å²	69.2	27%	0.271	32%	0.321	S	S	.	.	H	α-helix	trans	-56.6	-47.6	171.7	-173.9	-170.4	-172.1	0	0	110.9	M161 R164 D165 R170 M171 K172	M161-E168 HydrophobicContact CG-CG 4.37Å; M161-E168 HydrophobicContact SD-CG 4.21Å; R164-E168 IonicContact CZ-OE2 3.77Å; R164-E168 IonicContact NE-OE2 2.98Å; R164-E168 VanDerWaalsContact NH2-CD 3.28Å; R164-E168 IonicContact NH2-OE1 2.6Å; R164-E168 PolarHBondContact NH2-OE1 3.11Å; R164-E168 VanDerWaalsContact NH2-OE1 3.1Å; R164-E168 IonicContact NH2-OE2 3.1Å; R164-E168 PolarHBondContact NH2-OE2 3.01Å; D165-E168 HydrophobicContact CB-CB 3.79Å; D165-E168 PolarHBondContact O-N 2.86Å; D165-E168 PolarHBondContact OD1-N 3.32Å; E168-R170 VanDerWaalsContact C-N 3.34Å; E168-R170 PolarHBondContact O-N 3.46Å; E168-M171 WeakPolarHBondContact O-CB 3.41Å; E168-M171 PolarHBondContact O-N 2.98Å; E168-M171 VanDerWaalsContact O-N 3.13Å; E168-K172 PolarHBondContact O-N 3.09Å
169	F	98.4	Very high	97.9	Very high	0 Å²	0	74 Å²	74	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-54.9	-48.6	176.4	176.3	-83.9	0	0	0	111.7	M72 W102 F150 A158 M161 Y162 D165 A167 M171 K172 V173	M72-F169 HydrophobicContact CE-CD1 4.39Å; M72-F169 HydrophobicContact CE-CE1 3.23Å; M72-F169 HydrophobicContact CE-CZ 3.63Å; M72-F169 HydrophobicContact SD-CD1 4.36Å; M72-F169 HydrophobicContact SD-CE1 3.67Å; W102-F169 AromaticContact CD1-CD2 3.8Å; W102-F169 AromaticContact CD1-CE2 3.55Å; W102-F169 AromaticContact NE1-CD2 3.59Å; W102-F169 AromaticContact NE1-CE2 3.65Å; F150-F169 HydrophobicContact CE1-CE2 4.04Å; F150-F169 HydrophobicContact CE1-CZ 4.02Å; F150-F169 HydrophobicContact CZ-CE1 4.38Å; F150-F169 HydrophobicContact CZ-CZ 4.19Å; A158-F169 HydrophobicContact CB-CE2 4.12Å; A158-F169 WeakPolarHBondContact O-CD2 3.46Å; M161-F169 HydrophobicContact CG-CB 4.07Å; M161-F169 HydrophobicContact SD-CB 4.41Å; Y162-F169 HydrophobicContact CD2-CB 4.14Å; Y162-F169 AromaticContact CD2-CD1 3.71Å; Y162-F169 HydrophobicContact CD2-CD1 3.71Å; Y162-F169 HydrophobicContact CD2-CD2 4.41Å; Y162-F169 HydrophobicContact CD2-CE1 4.28Å; Y162-F169 AromaticContact CD2-CG 3.8Å; Y162-F169 HydrophobicContact CD2-CG 3.8Å; Y162-F169 HydrophobicContact CE2-CD1 4.44Å; Y162-F169 HydrophobicContact CG-CG 4.42Å; D165-F169 PolarHBondContact O-N 3.13Å; A167-F169 VanDerWaalsContact C-N 3.32Å; A167-F169 PolarHBondContact O-N 3.27Å; F169-M171 VanDerWaalsContact C-N 3.32Å; F169-M171 PolarHBondContact O-N 3.18Å; F169-K172 PolarHBondContact O-N 3.07Å; F169-V173 HydrophobicContact CD1-CG2 3.99Å; F169-V173 HydrophobicContact CE1-CG2 3.36Å; F169-V173 HydrophobicContact CE2-CG2 4.41Å; F169-V173 HydrophobicContact CZ-CG2 3.62Å; F169-V173 WeakPolarHBondContact O-CG2 3.45Å; F169-V173 PolarHBondContact O-N 3.33Å
170	R	97.8	Very high	97.9	Very high	117 Å²	117	77 Å²	77	44%	0.442	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-35.7	178.5	-76.1	-174.2	-63.2	-91.7	1.6	112.8	P166 A167 E168 K174	P166-R170 WeakPolarHBondContact O-CG 3.38Å; P166-R170 VanDerWaalsContact O-CZ 3.31Å; P166-R170 PolarHBondContact O-N 3.04Å; P166-R170 VanDerWaalsContact O-N 3.15Å; P166-R170 PolarHBondContact O-NH1 2.81Å; A167-R170 PolarHBondContact O-N 3.03Å; E168-R170 VanDerWaalsContact C-N 3.34Å; E168-R170 PolarHBondContact O-N 3.46Å; R170-K174 WeakPolarHBondContact O-CG 3.36Å; R170-K174 PolarHBondContact O-N 3.39Å; R170-K174 VanDerWaalsContact O-N 3.12Å
171	M	98.1	Very high	97.6	Very high	126 Å²	126	74.8 Å²	74.8	62%	0.621	34%	0.339	S	S	*	.	H	α-helix	trans	-64.9	-44.5	174.4	-70.4	-166.3	-64.3	0	0	111.2	A167 E168 F169 V173 K174 E175	A167-M171 WeakPolarHBondContact O-CG 3.27Å; A167-M171 PolarHBondContact O-N 3.07Å; E168-M171 WeakPolarHBondContact O-CB 3.41Å; E168-M171 PolarHBondContact O-N 2.98Å; E168-M171 VanDerWaalsContact O-N 3.13Å; F169-M171 VanDerWaalsContact C-N 3.32Å; F169-M171 PolarHBondContact O-N 3.18Å; M171-V173 PolarHBondContact O-N 3.45Å; M171-K174 PolarHBondContact O-N 2.99Å; M171-E175 PolarHBondContact O-N 3.24Å
172	K	98.2	Very high	96.3	Very high	50 Å²	50	81.8 Å²	81.8	22%	0.217	38%	0.377	C	S	.	.	H	α-helix	trans	-64.7	-39	177.8	-167.8	166.7	180	-175.1	0	112.3	W102 M161 E168 F169 E175 Y176	W102-K172 HydrophobicContact CD2-CD 3.81Å; W102-K172 HydrophobicContact CD2-CG 4.17Å; W102-K172 HydrophobicContact CE3-CD 4.38Å; W102-K172 HydrophobicContact CG-CD 4.1Å; W102-K172 HydrophobicContact CG-CG 3.96Å; W102-K172 HydrophobicContact CZ2-CD 4Å; M161-K172 HydrophobicContact CE-CD 3.71Å; M161-K172 HydrophobicContact SD-CB 4.2Å; M161-K172 HydrophobicContact SD-CD 3.68Å; E168-K172 PolarHBondContact O-N 3.09Å; F169-K172 PolarHBondContact O-N 3.07Å; K172-E175 WeakPolarHBondContact O-CB 3.22Å; K172-E175 PolarHBondContact O-N 3.34Å; K172-Y176 HydrophobicContact CD-CE2 4.45Å; K172-Y176 HydrophobicContact CG-CD2 3.98Å; K172-Y176 HydrophobicContact CG-CE2 3.91Å; K172-Y176 VanDerWaalsContact O-CD2 3.32Å; K172-Y176 WeakPolarHBondContact O-CD2 3.26Å; K172-Y176 PolarHBondContact O-N 3Å
173	V	98.3	Very high	96.2	Very high	1 Å²	1	82.1 Å²	82.1	1%	0.006	38%	0.381	C	S	.	.	H	α-helix	trans	-57.4	-50	171.8	168.8	0	0	0	0	111.2	M72 Y73 W102 F169 M171 E175 Y176 M177	M72-V173 WeakPolarHBondContact O-CG1 3.43Å; Y73-V173 HydrophobicContact CD1-CG1 3.51Å; Y73-V173 HydrophobicContact CE1-CB 4.4Å; Y73-V173 HydrophobicContact CE1-CG1 3.55Å; Y73-V173 HydrophobicContact CE1-CG2 3.89Å; Y73-V173 HydrophobicContact CG-CG1 4.42Å; W102-V173 HydrophobicContact CB-CG2 4.42Å; F169-V173 HydrophobicContact CD1-CG2 3.99Å; F169-V173 HydrophobicContact CE1-CG2 3.36Å; F169-V173 HydrophobicContact CE2-CG2 4.41Å; F169-V173 HydrophobicContact CZ-CG2 3.62Å; F169-V173 WeakPolarHBondContact O-CG2 3.45Å; F169-V173 PolarHBondContact O-N 3.33Å; M171-V173 PolarHBondContact O-N 3.45Å; V173-E175 VanDerWaalsContact C-N 3.31Å; V173-E175 PolarHBondContact O-N 3.06Å; V173-Y176 PolarHBondContact O-N 3.43Å; V173-M177 HydrophobicContact CG1-CE 3.93Å; V173-M177 HydrophobicContact CG1-CG 4.49Å; V173-M177 HydrophobicContact CG1-SD 4.35Å; V173-M177 WeakPolarHBondContact O-CG 3.47Å; V173-M177 PolarHBondContact O-N 3.33Å
174	K	97.6	Very high	96.2	Very high	148 Å²	148	79.3 Å²	79.3	64%	0.643	37%	0.368	S	S	*	.	H	α-helix	trans	-60.7	-39.8	177.1	-72.2	179.7	179.5	-176.6	0	112.4	R170 M171 M177 R178	R170-K174 WeakPolarHBondContact O-CG 3.36Å; R170-K174 PolarHBondContact O-N 3.39Å; R170-K174 VanDerWaalsContact O-N 3.12Å; M171-K174 PolarHBondContact O-N 2.99Å; K174-M177 HydrophobicContact CG-CE 4.26Å; K174-M177 PolarHBondContact O-N 3.06Å; K174-R178 WeakPolarHBondContact O-CB 3.37Å; K174-R178 PolarHBondContact O-N 3.05Å
175	E	97.9	Very high	96.1	Very high	81 Å²	81	74.1 Å²	74.1	38%	0.379	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-47.5	176.1	-173.1	-167.9	164.4	0	0	111.8	M171 K172 V173 R178 K179	M171-E175 PolarHBondContact O-N 3.24Å; K172-E175 WeakPolarHBondContact O-CB 3.22Å; K172-E175 PolarHBondContact O-N 3.34Å; V173-E175 VanDerWaalsContact C-N 3.31Å; V173-E175 PolarHBondContact O-N 3.06Å; E175-R178 PolarHBondContact O-N 3.09Å; E175-K179 HydrophobicContact CG-CD 4.2Å; E175-K179 WeakPolarHBondContact O-CG 3.16Å; E175-K179 PolarHBondContact O-N 3.27Å; E175-K179 VanDerWaalsContact OE1-CE 3.27Å; E175-K179 WeakPolarHBondContact OE1-CE 3.49Å; E175-K179 IonicContact OE1-NZ 2.66Å; E175-K179 PolarHBondContact OE1-NZ 3.01Å
176	Y	98.1	Very high	96	Very high	31 Å²	31	74.5 Å²	74.5	12%	0.122	35%	0.352	C	S	.	.	H	α-helix	trans	-62.1	-45.5	177.4	-91.6	-117.8	0	0	0	111.3	W102 E108 K172 V173 R178 K179 H180	W102-Y176 HydrophobicContact CB-CD1 3.96Å; W102-Y176 HydrophobicContact CB-CD2 4.08Å; W102-Y176 HydrophobicContact CB-CE1 4.29Å; W102-Y176 HydrophobicContact CB-CE2 4.41Å; W102-Y176 HydrophobicContact CB-CG 3.84Å; W102-Y176 HydrophobicContact CE3-CE1 4.26Å; W102-Y176 HydrophobicContact CE3-CE2 4.38Å; W102-Y176 AromaticContact CE3-CZ 3.92Å; E108-Y176 HydrophobicContact CG-CE1 4.36Å; E108-Y176 PolarHBondContact OE1-OH 3.43Å; E108-Y176 PolarHBondContact OE2-OH 2.77Å; K172-Y176 HydrophobicContact CD-CE2 4.45Å; K172-Y176 HydrophobicContact CG-CD2 3.98Å; K172-Y176 HydrophobicContact CG-CE2 3.91Å; K172-Y176 VanDerWaalsContact O-CD2 3.32Å; K172-Y176 WeakPolarHBondContact O-CD2 3.26Å; K172-Y176 PolarHBondContact O-N 3Å; V173-Y176 PolarHBondContact O-N 3.43Å; Y176-R178 VanDerWaalsContact C-N 3.34Å; Y176-R178 PolarHBondContact O-N 3.18Å; Y176-K179 PolarHBondContact O-N 3.49Å; Y176-K179 VanDerWaalsContact O-N 3.12Å; Y176-H180 AromaticContact CD1-CD2 3.92Å; Y176-H180 WeakPolarHBondContact O-CB 3.26Å; Y176-H180 PolarHBondContact O-CD2 3.38Å; Y176-H180 VanDerWaalsContact O-CD2 3.32Å; Y176-H180 PolarHBondContact O-N 3.45Å
177	M	97.8	Very high	95.8	Very high	23 Å²	23	76.2 Å²	76.2	11%	0.113	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-45.6	176.8	-70.3	-168.2	-60.6	0	0	111.3	F78 V173 K174 K179 H180 C181	F78-M177 HydrophobicContact CE1-CG 4.5Å; F78-M177 HydrophobicContact CZ-CG 4.04Å; F78-M177 HydrophobicContact CZ-SD 4.05Å; V173-M177 HydrophobicContact CG1-CE 3.93Å; V173-M177 HydrophobicContact CG1-CG 4.49Å; V173-M177 HydrophobicContact CG1-SD 4.35Å; V173-M177 WeakPolarHBondContact O-CG 3.47Å; V173-M177 PolarHBondContact O-N 3.33Å; K174-M177 HydrophobicContact CG-CE 4.26Å; K174-M177 PolarHBondContact O-N 3.06Å; M177-K179 VanDerWaalsContact C-N 3.26Å; M177-K179 PolarHBondContact O-N 2.7Å; M177-H180 PolarHBondContact O-N 3.28Å; M177-C181 WeakPolarHBondContact O-CA 3.47Å; M177-C181 WeakPolarHBondContact O-CB 3.21Å; M177-C181 PolarHBondContact O-N 3.24Å
178	R	97.1	Very high	95.7	Very high	180 Å²	180	78.3 Å²	78.3	68%	0.679	35%	0.353	S	S	*	.	H	α-helix	trans	-61.3	-34.1	176.7	-169.9	-166.3	62.9	74.2	-3.5	112.8	K174 E175 Y176	K174-R178 WeakPolarHBondContact O-CB 3.37Å; K174-R178 PolarHBondContact O-N 3.05Å; E175-R178 PolarHBondContact O-N 3.09Å; Y176-R178 VanDerWaalsContact C-N 3.34Å; Y176-R178 PolarHBondContact O-N 3.18Å
179	K	97.3	Very high	95.5	Very high	100 Å²	100	79.8 Å²	79.8	44%	0.435	36%	0.359	S	S	.	.	H	α-helix	trans	-81.9	-31	-178	-75.1	177.4	172.7	179	0	113.5	E175 Y176 M177	E175-K179 HydrophobicContact CG-CD 4.2Å; E175-K179 WeakPolarHBondContact O-CG 3.16Å; E175-K179 PolarHBondContact O-N 3.27Å; E175-K179 VanDerWaalsContact OE1-CE 3.27Å; E175-K179 WeakPolarHBondContact OE1-CE 3.49Å; E175-K179 IonicContact OE1-NZ 2.66Å; E175-K179 PolarHBondContact OE1-NZ 3.01Å; Y176-K179 PolarHBondContact O-N 3.49Å; Y176-K179 VanDerWaalsContact O-N 3.12Å; M177-K179 VanDerWaalsContact C-N 3.26Å; M177-K179 PolarHBondContact O-N 2.7Å
180	H	97.3	Very high	95.3	Very high	67 Å²	67	85.9 Å²	85.9	31%	0.31	39%	0.387	S	S	.	.	H	α-helix	trans	-124.5	-16.7	-164.7	-57.9	-55.3	0	0	0	114.6	T99 R100 Y176 M177	T99-H180 HydrophobicContact CG2-CB 4.13Å; R100-H180 HydrophobicContact CB-CB 4.4Å; R100-H180 WeakPolarHBondContact O-CB 3.32Å; Y176-H180 AromaticContact CD1-CD2 3.92Å; Y176-H180 WeakPolarHBondContact O-CB 3.26Å; Y176-H180 PolarHBondContact O-CD2 3.38Å; Y176-H180 VanDerWaalsContact O-CD2 3.32Å; Y176-H180 PolarHBondContact O-N 3.45Å; M177-H180 PolarHBondContact O-N 3.28Å
181	C	92.1	Very high	95.1	Very high	23 Å²	23	83.3 Å²	83.3	16%	0.155	38%	0.382	C	S	.	.			trans	-94	101.8	176	-61.3	0	0	0	0	110.2	C77 M177	C77-C181 HydrophobicContact CB-CB 4.25Å; C77-C181 PolarHBondContact N-SG 3.37Å; C77-C181 VanDerWaalsContact N-SG 3.39Å; M177-C181 WeakPolarHBondContact O-CA 3.47Å; M177-C181 WeakPolarHBondContact O-CB 3.21Å; M177-C181 PolarHBondContact O-N 3.24Å
182	N	71.4	Confident	94.8	Very high	170 Å²	170	79.5 Å²	79.5	91%	0.909	36%	0.361	S	S	*	.			trans	-112	0	167.9	-61.9	-26	0	0	0	110.9	R79	R79-N182 PolarHBondContact NH1-O 3.42Å; R79-N182 PolarHBondContact NH2-O 2.71Å

Retrieved 182 of 182 residues in 1229.8 ms (Link to these results)

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