A0A2K6BE59_MACNE Loading...

Myosin light chain 7

AlphaFold DB , UniProt , Accession A0A2K6BE59, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene MYL7, Length 175 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	37.3	Very low	38.9	Very low	245 Å²	245	157.7 Å²	157.7	100%	1.207	87%	0.869	S	S	*	*				0	141.3	0	-76.3	-166.3	178.9	0	0	109.2
2	A	38.4	Very low	38.9	Very low	92 Å²	92	156.1 Å²	156.1	76%	0.76	87%	0.866	S	S	*	*			trans	67.1	110.3	164.9	0	0	0	0	0	118.1
3	S	40.6	Very low	39	Very low	105 Å²	105	151.3 Å²	151.3	73%	0.734	86%	0.859	S	S	*	*				77.9	136.5	89	-88.3	0	0	0	0	112.9
4	R	40.1	Very low	39.1	Very low	237 Å²	237	147.2 Å²	147.2	89%	0.894	85%	0.853	S	S	*	*			cis	-165.3	165.6	20.4	-101.3	155	-172.2	-166	0.4	110.7
5	K	42.4	Very low	39.4	Very low	207 Å²	207	146.1 Å²	146.1	90%	0.9	85%	0.85	S	S	*	*			trans	-66.2	171.9	178	-92.9	179.5	169.1	179.3	0	116.9
6	A	36.8	Very low	39.6	Very low	109 Å²	109	149.6 Å²	149.6	90%	0.901	85%	0.852	S	S	*	*			trans	98.7	137.7	151.3	0	0	0	0	0	115.2
7	G	33	Very low	39.7	Very low	69 Å²	69	151.5 Å²	151.5	71%	0.711	85%	0.851	S	S	*	*			cis	174.8	151.7	6.9	0	0	0	0	0	109.7
8	T	42	Very low	39.8	Very low	139 Å²	139	147.5 Å²	147.5	85%	0.853	84%	0.841	S	S	*	*			trans	-19.1	144.1	166.6	31.6	0	0	0	0	120.8
9	R	40.8	Very low	40.3	Very low	244 Å²	244	150.3 Å²	150.3	92%	0.921	85%	0.846	S	S	*	*				-176.5	112.8	117.3	-108.9	168.2	154.8	163	-6.9	113.8
10	G	35.6	Very low	40.3	Very low	71 Å²	71	153.9 Å²	153.9	73%	0.732	85%	0.845	S	S	*	*			trans	-72.8	139.4	159.9	0	0	0	0	0	110.7	V12	G10-V12 PolarHBondContact O-N 2.99Å
11	K	40.7	Very low	40.5	Very low	217 Å²	217	149.9 Å²	149.9	94%	0.943	84%	0.84	S	S	*	*			trans	-85.1	105.6	171.3	-73.7	-177.2	174.2	-179.2	0	108.3
12	V	39.3	Very low	40.9	Very low	138 Å²	138	142.5 Å²	142.5	84%	0.836	81%	0.812	S	S	*	*			trans	-95.7	123.4	165.9	-159.9	0	0	0	0	106.8	G10 A14	G10-V12 PolarHBondContact O-N 2.99Å; V12-A14 PolarHBondContact O-N 2.88Å
13	A	40	Very low	41.6	Very low	94 Å²	94	142.4 Å²	142.4	78%	0.777	81%	0.806	S	S	*	*			trans	-65.9	119.2	176.1	0	0	0	0	0	109.4	T15	A13-T15 PolarHBondContact O-N 3.43Å
14	A	40.4	Very low	43	Very low	94 Å²	94	142.3 Å²	142.3	78%	0.777	80%	0.797	S	S	*	*			trans	-81	101.8	173.8	0	0	0	0	0	108.9	V12 K16	V12-A14 PolarHBondContact O-N 2.88Å; A14-K16 PolarHBondContact O-N 3.27Å
15	T	44.1	Very low	44.7	Very low	131 Å²	131	131.6 Å²	131.6	80%	0.804	76%	0.758	S	S	*	*			trans	-64.6	102.3	160.9	-51.2	0	0	0	0	106.8	A13 Q17	A13-T15 PolarHBondContact O-N 3.43Å; T15-Q17 VanDerWaalsContact C-N 3.29Å; T15-Q17 PolarHBondContact O-N 3.16Å
16	K	41.5	Very low	46.4	Very low	201 Å²	201	125.2 Å²	125.2	87%	0.874	73%	0.731	S	S	*	*			trans	-63	96.7	166.3	-82.5	-173.1	173	-174	0	107.2	A14 A18	A14-K16 PolarHBondContact O-N 3.27Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 2.88Å
17	Q	41.8	Very low	48.5	Very low	182 Å²	182	124.5 Å²	124.5	85%	0.85	72%	0.719	S	S	*	*			trans	-55.1	104.9	157.1	-96.1	171.2	-22.4	0	0	106.5	T15 Q19	T15-Q17 VanDerWaalsContact C-N 3.29Å; T15-Q17 PolarHBondContact O-N 3.16Å; Q17-Q19 PolarHBondContact O-N 3.22Å; Q17-Q19 VanDerWaalsContact O-N 3.11Å
18	A	42.1	Very low	50.6	Low	80 Å²	80	125.6 Å²	125.6	66%	0.661	71%	0.707	S	S	*	*			trans	-56.2	115.3	156.9	0	0	0	0	0	105.9	K16 R20	K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 2.88Å; A18-R20 HydrophobicContact CB-CG 4.38Å; A18-R20 PolarHBondContact O-N 3.24Å
19	Q	49	Very low	52.4	Low	200 Å²	200	120 Å²	120	94%	0.935	67%	0.671	S	S	*	*			trans	-59.1	86.5	157.3	-83.6	-178.6	-70.1	0	0	106.6	Q17 G21	Q17-Q19 PolarHBondContact O-N 3.22Å; Q17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-G21 PolarHBondContact O-N 3.01Å; Q19-G21 VanDerWaalsContact O-N 3.11Å
20	R	41	Very low	54.5	Low	222 Å²	222	115 Å²	115	84%	0.838	66%	0.658	S	S	*	*			trans	-76.1	87.4	158.9	-69.2	-176.4	83.7	151.1	3.2	105	A18 S22	A18-R20 HydrophobicContact CB-CG 4.38Å; A18-R20 PolarHBondContact O-N 3.24Å; R20-S22 PolarHBondContact O-N 3.49Å
21	G	43.6	Very low	56.8	Low	71 Å²	71	119 Å²	119	73%	0.732	66%	0.657	S	S	*	*			trans	-66	71.2	153.7	0	0	0	0	0	108	Q19 S23	Q19-G21 PolarHBondContact O-N 3.01Å; Q19-G21 VanDerWaalsContact O-N 3.11Å; G21-S23 PolarHBondContact O-N 3.43Å
22	S	45.4	Very low	58.9	Low	89 Å²	89	111.4 Å²	111.4	62%	0.622	64%	0.635	S	S	*	*			trans	-83.9	82.1	152.2	60	0	0	0	0	104.6	R20 N24	R20-S22 PolarHBondContact O-N 3.49Å; S22-N24 VanDerWaalsContact C-N 3.29Å; S22-N24 PolarHBondContact O-N 3.29Å
23	S	54.4	Low	61	Low	91 Å²	91	108.6 Å²	108.6	64%	0.636	61%	0.613	S	S	*	*			trans	-52.6	108.1	157.6	-35	0	0	0	0	104	G21 V25	G21-S23 PolarHBondContact O-N 3.43Å; S23-V25 VanDerWaalsContact C-N 3.3Å; S23-V25 PolarHBondContact O-N 3.34Å
24	N	68.6	Low	63.3	Low	102 Å²	102	104.9 Å²	104.9	55%	0.545	58%	0.58	S	S	.	*			trans	-67.3	100.2	-177.6	-156.5	5.6	0	0	0	104.3	S22 F26 S27	S22-N24 VanDerWaalsContact C-N 3.29Å; S22-N24 PolarHBondContact O-N 3.29Å; N24-F26 PolarHBondContact O-N 2.76Å; N24-S27 WeakPolarHBondContact O-CB 3.42Å; N24-S27 PolarHBondContact O-N 2.84Å; N24-S27 PolarHBondContact O-OG 3.12Å
25	V	75.9	Confident	65.7	Low	13 Å²	13	104.7 Å²	104.7	8%	0.079	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-55.6	-29.9	-173.4	65.5	0	0	0	0	111.2	S23 S27 M28 F29 T88 L91	S23-V25 VanDerWaalsContact C-N 3.3Å; S23-V25 PolarHBondContact O-N 3.34Å; V25-S27 PolarHBondContact O-N 3.1Å; V25-M28 HydrophobicContact CG2-SD 4.33Å; V25-M28 WeakPolarHBondContact O-CB 3.42Å; V25-M28 PolarHBondContact O-N 3.48Å; V25-F29 HydrophobicContact CG2-CE2 4.31Å; V25-T88 HydrophobicContact CG1-CG2 4.19Å; V25-L91 HydrophobicContact CG1-CB 4.26Å; V25-L91 HydrophobicContact CG2-CB 4.1Å; V25-L91 WeakPolarHBondContact CG2-O 3.41Å
26	F	77.3	Confident	67.8	Low	73 Å²	73	104.6 Å²	104.6	32%	0.32	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-62	-18.7	171.8	-64.1	-82	0	0	0	115.2	N24 I34 F87 T88 L91	N24-F26 PolarHBondContact O-N 2.76Å; F26-I34 HydrophobicContact CB-CD1 4.43Å; F26-I34 HydrophobicContact CD1-CD1 4.25Å; F26-I34 HydrophobicContact CD1-CG2 4.31Å; F26-I34 HydrophobicContact CE1-CG2 4.49Å; F26-I34 WeakPolarHBondContact O-CD1 3.49Å; F26-F87 HydrophobicContact CE1-CE1 4.12Å; F26-T88 HydrophobicContact CE2-CG2 4.43Å; F26-L91 HydrophobicContact CD1-CD1 3.67Å; F26-L91 HydrophobicContact CE1-CD1 3.24Å; F26-L91 HydrophobicContact CG-CD1 4.5Å; F26-L91 HydrophobicContact CZ-CD1 3.77Å
27	S	81.8	Confident	70.2	Confident	93 Å²	93	96.5 Å²	96.5	65%	0.65	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-88.6	-5.6	174.3	70.4	0	0	0	0	113.2	N24 V25 F29	N24-S27 WeakPolarHBondContact O-CB 3.42Å; N24-S27 PolarHBondContact O-N 2.84Å; N24-S27 PolarHBondContact O-OG 3.12Å; V25-S27 PolarHBondContact O-N 3.1Å; S27-F29 VanDerWaalsContact C-N 3.29Å
28	M	76.4	Confident	72.6	Confident	92 Å²	92	93.1 Å²	93.1	45%	0.453	50%	0.5	S	S	.	.	S	Bend	trans	-80.8	-14.5	174.1	-63.2	177.1	170	0	0	112.3	V25	V25-M28 HydrophobicContact CG2-SD 4.33Å; V25-M28 WeakPolarHBondContact O-CB 3.42Å; V25-M28 PolarHBondContact O-N 3.48Å
29	F	81.4	Confident	75	Confident	23 Å²	23	94.4 Å²	94.4	10%	0.101	49%	0.493	C	S	.	.	S	Bend	trans	-126.3	150.5	-172.9	-60.8	-68.6	0	0	0	111.7	V25 S27 Q33 I34 F37 L91 F94 L98	V25-F29 HydrophobicContact CG2-CE2 4.31Å; S27-F29 VanDerWaalsContact C-N 3.29Å; F29-Q33 HydrophobicContact CB-CB 4.29Å; F29-I34 HydrophobicContact CB-CD1 4.24Å; F29-I34 HydrophobicContact CB-CG1 3.73Å; F29-F37 AromaticContact CD1-CE2 3.76Å; F29-F37 HydrophobicContact CD1-CE2 3.76Å; F29-F37 AromaticContact CE1-CE2 3.69Å; F29-F37 HydrophobicContact CE1-CE2 3.69Å; F29-F37 HydrophobicContact CE1-CZ 4.12Å; F29-F37 HydrophobicContact CE2-CE2 4.46Å; F29-F37 HydrophobicContact CG-CE2 4.14Å; F29-F37 HydrophobicContact CZ-CE2 4.01Å; F29-F37 HydrophobicContact CZ-CZ 4.47Å; F29-L91 HydrophobicContact CD2-CD2 4.45Å; F29-L91 HydrophobicContact CE2-CD2 4.4Å; F29-L91 WeakPolarHBondContact CE2-O 3.4Å; F29-F94 HydrophobicContact CZ-CB 4.24Å; F29-L98 HydrophobicContact CE1-CD1 4.08Å
30	E	84.6	Confident	77.1	Confident	139 Å²	139	86.9 Å²	86.9	65%	0.65	47%	0.465	S	S	*	.			trans	-71.2	156.4	169.1	-63	-170.8	174.5	0	0	111.1	A32 Q33 I34	E30-A32 PolarHBondContact O-N 2.94Å; E30-Q33 HydrophobicContact CB-CG 4.45Å; E30-Q33 PolarHBondContact O-N 3.41Å; E30-Q33 VanDerWaalsContact O-N 3.13Å; E30-I34 WeakPolarHBondContact O-CG1 3.36Å; E30-I34 PolarHBondContact O-N 3.24Å
31	Q	83.5	Confident	79.6	Confident	154 Å²	154	76.9 Å²	76.9	72%	0.72	43%	0.428	S	S	*	.	H	α-helix	trans	-58.9	-33.7	179	-72.7	-66.3	-32.5	0	0	112.7	Q35	Q31-Q35 PolarHBondContact O-N 3.18Å; Q31-Q35 VanDerWaalsContact O-N 3.09Å
32	A	85.3	Confident	81.9	Confident	57 Å²	57	76.9 Å²	76.9	47%	0.471	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-47.9	175.5	0	0	0	0	0	111.5	E30 I34 Q35 E36	E30-A32 PolarHBondContact O-N 2.94Å; A32-I34 PolarHBondContact O-N 2.91Å; A32-Q35 WeakPolarHBondContact O-CB 3.44Å; A32-Q35 PolarHBondContact O-N 3.01Å; A32-Q35 VanDerWaalsContact O-N 3.11Å; A32-E36 PolarHBondContact O-N 3.47Å
33	Q	83.8	Confident	84.1	Confident	79 Å²	79	76.7 Å²	76.7	37%	0.369	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-41.4	177.1	-66.5	174.6	-39.8	0	0	112	F29 E30 Q35 E36 F37	F29-Q33 HydrophobicContact CB-CB 4.29Å; E30-Q33 HydrophobicContact CB-CG 4.45Å; E30-Q33 PolarHBondContact O-N 3.41Å; E30-Q33 VanDerWaalsContact O-N 3.13Å; Q33-Q35 PolarHBondContact O-N 3.21Å; Q33-E36 PolarHBondContact O-N 3.46Å; Q33-F37 HydrophobicContact CB-CD2 4.48Å; Q33-F37 HydrophobicContact CB-CE2 4.17Å; Q33-F37 WeakPolarHBondContact O-CD2 3.48Å; Q33-F37 WeakPolarHBondContact O-CG 3.47Å; Q33-F37 PolarHBondContact O-N 3.39Å
34	I	88.5	Confident	86	Confident	17 Å²	17	73.9 Å²	73.9	9%	0.087	39%	0.391	C	S	.	.	H	α-helix	trans	-59.9	-38.7	175.8	-65	165.1	0	0	0	110.8	F26 F29 E30 A32 K38 F87	F26-I34 HydrophobicContact CB-CD1 4.43Å; F26-I34 HydrophobicContact CD1-CD1 4.25Å; F26-I34 HydrophobicContact CD1-CG2 4.31Å; F26-I34 HydrophobicContact CE1-CG2 4.49Å; F26-I34 WeakPolarHBondContact O-CD1 3.49Å; F29-I34 HydrophobicContact CB-CD1 4.24Å; F29-I34 HydrophobicContact CB-CG1 3.73Å; E30-I34 WeakPolarHBondContact O-CG1 3.36Å; E30-I34 PolarHBondContact O-N 3.24Å; A32-I34 PolarHBondContact O-N 2.91Å; I34-K38 WeakPolarHBondContact O-CB 3.46Å; I34-K38 PolarHBondContact O-N 2.92Å; I34-F87 HydrophobicContact CG2-CZ 4.49Å
35	Q	89.4	Confident	87.3	Confident	90 Å²	90	69.5 Å²	69.5	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-67.8	-43.4	177.5	-176.6	56.3	40.8	0	0	111.4	Q31 A32 Q33 K38 E39	Q31-Q35 PolarHBondContact O-N 3.18Å; Q31-Q35 VanDerWaalsContact O-N 3.09Å; A32-Q35 WeakPolarHBondContact O-CB 3.44Å; A32-Q35 PolarHBondContact O-N 3.01Å; A32-Q35 VanDerWaalsContact O-N 3.11Å; Q33-Q35 PolarHBondContact O-N 3.21Å; Q35-K38 WeakPolarHBondContact O-CB 3.17Å; Q35-K38 PolarHBondContact O-N 3.26Å; Q35-K38 VanDerWaalsContact O-N 3.17Å; Q35-E39 PolarHBondContact NE2-OE1 3.19Å; Q35-E39 WeakPolarHBondContact O-CG 3.32Å; Q35-E39 PolarHBondContact O-N 3.25Å
36	E	89.3	Confident	88	Confident	129 Å²	129	71.8 Å²	71.8	60%	0.603	38%	0.378	S	S	*	.	H	α-helix	trans	-59.9	-45.8	173.7	-70.4	175	-175.2	0	0	111.9	A32 Q33 K38 E39 A40	A32-E36 PolarHBondContact O-N 3.47Å; Q33-E36 PolarHBondContact O-N 3.46Å; E36-K38 VanDerWaalsContact C-N 3.26Å; E36-K38 PolarHBondContact O-N 3.4Å; E36-E39 PolarHBondContact O-N 3.15Å; E36-A40 WeakPolarHBondContact O-CB 3.39Å; E36-A40 PolarHBondContact O-N 3.24Å
37	F	91	Very high	88.7	Confident	30 Å²	30	72.4 Å²	72.4	13%	0.132	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-36.2	175.3	-70.8	-49.9	0	0	0	112.4	F29 Q33 F41 F87 F90 L91 F94 L98	F29-F37 AromaticContact CD1-CE2 3.76Å; F29-F37 HydrophobicContact CD1-CE2 3.76Å; F29-F37 AromaticContact CE1-CE2 3.69Å; F29-F37 HydrophobicContact CE1-CE2 3.69Å; F29-F37 HydrophobicContact CE1-CZ 4.12Å; F29-F37 HydrophobicContact CE2-CE2 4.46Å; F29-F37 HydrophobicContact CG-CE2 4.14Å; F29-F37 HydrophobicContact CZ-CE2 4.01Å; F29-F37 HydrophobicContact CZ-CZ 4.47Å; Q33-F37 HydrophobicContact CB-CD2 4.48Å; Q33-F37 HydrophobicContact CB-CE2 4.17Å; Q33-F37 WeakPolarHBondContact O-CD2 3.48Å; Q33-F37 WeakPolarHBondContact O-CG 3.47Å; Q33-F37 PolarHBondContact O-N 3.39Å; F37-F41 VanDerWaalsContact O-CB 3.26Å; F37-F41 WeakPolarHBondContact O-CB 3.16Å; F37-F41 PolarHBondContact O-N 2.88Å; F37-F87 HydrophobicContact CB-CE2 4.21Å; F37-F87 HydrophobicContact CB-CZ 4.43Å; F37-F90 HydrophobicContact CB-CE1 4.23Å; F37-F90 HydrophobicContact CD1-CE1 4.2Å; F37-L91 HydrophobicContact CB-CD2 3.64Å; F37-L91 HydrophobicContact CD2-CD2 3.47Å; F37-L91 VanDerWaalsContact CD2-CD2 3.47Å; F37-L91 HydrophobicContact CE2-CD2 4.35Å; F37-L91 HydrophobicContact CG-CD2 3.76Å; F37-F94 HydrophobicContact CD1-CG 4.36Å; F37-F94 HydrophobicContact CE1-CB 4.15Å; F37-F94 AromaticContact CE1-CD1 3.74Å; F37-F94 HydrophobicContact CE1-CD1 3.74Å; F37-F94 HydrophobicContact CE1-CD2 4.43Å; F37-F94 HydrophobicContact CE1-CE1 4.27Å; F37-F94 AromaticContact CE1-CG 3.83Å; F37-F94 HydrophobicContact CE1-CG 3.83Å; F37-F94 HydrophobicContact CZ-CB 4.13Å; F37-F94 HydrophobicContact CZ-CD1 4.28Å; F37-F94 HydrophobicContact CZ-CG 4.29Å; F37-L98 HydrophobicContact CZ-CD1 3.97Å
38	K	92.4	Very high	89.2	Confident	111 Å²	111	78.2 Å²	78.2	48%	0.483	39%	0.392	S	S	.	.	H	α-helix	trans	-67.7	-38.8	177.3	-172.1	178.6	177.5	-175.8	0	112	I34 Q35 E36 S42 F87	I34-K38 WeakPolarHBondContact O-CB 3.46Å; I34-K38 PolarHBondContact O-N 2.92Å; Q35-K38 WeakPolarHBondContact O-CB 3.17Å; Q35-K38 PolarHBondContact O-N 3.26Å; Q35-K38 VanDerWaalsContact O-N 3.17Å; E36-K38 VanDerWaalsContact C-N 3.26Å; E36-K38 PolarHBondContact O-N 3.4Å; K38-S42 WeakPolarHBondContact O-CB 3.45Å; K38-S42 PolarHBondContact O-N 3.07Å; K38-S42 PolarHBondContact O-OG 3.37Å; K38-F87 VanDerWaalsContact CA-CE2 3.49Å; K38-F87 HydrophobicContact CB-CE1 4.48Å; K38-F87 HydrophobicContact CB-CE2 4.01Å; K38-F87 HydrophobicContact CB-CZ 3.71Å; K38-F87 HydrophobicContact CG-CZ 4.27Å
39	E	92.9	Very high	90	Very high	107 Å²	107	78.2 Å²	78.2	50%	0.5	39%	0.394	S	S	.	.	H	α-helix	trans	-66	-48.1	174.6	-72.8	171.3	-161.3	0	0	110.8	Q35 E36 F41 S42 C43	Q35-E39 PolarHBondContact NE2-OE1 3.19Å; Q35-E39 WeakPolarHBondContact O-CG 3.32Å; Q35-E39 PolarHBondContact O-N 3.25Å; E36-E39 PolarHBondContact O-N 3.15Å; E39-F41 PolarHBondContact O-N 2.7Å; E39-S42 PolarHBondContact O-N 2.87Å; E39-S42 VanDerWaalsContact O-N 3.14Å; E39-C43 PolarHBondContact O-N 2.78Å; E39-C43 PolarHBondContact O-SG 2.91Å
40	A	92.1	Very high	90.6	Very high	43 Å²	43	78.5 Å²	78.5	36%	0.355	40%	0.403	S	S	.	.	H	α-helix	trans	-57.8	-46.3	174.8	0	0	0	0	0	111.9	E36 S42 C43 I44	E36-A40 WeakPolarHBondContact O-CB 3.39Å; E36-A40 PolarHBondContact O-N 3.24Å; A40-S42 VanDerWaalsContact C-N 3.31Å; A40-S42 PolarHBondContact O-N 3.03Å; A40-C43 WeakPolarHBondContact O-CB 3.34Å; A40-C43 PolarHBondContact O-N 2.86Å; A40-C43 VanDerWaalsContact O-N 3.13Å; A40-I44 WeakPolarHBondContact O-CG1 3.5Å; A40-I44 PolarHBondContact O-N 3.4Å
41	F	94.1	Very high	91.1	Very high	12 Å²	12	75.1 Å²	75.1	5%	0.053	39%	0.389	C	S	.	.	H	α-helix	trans	-59	-42.7	176.1	-173.4	-84.3	0	0	0	111.8	F37 E39 C43 I44 D45 I52 F87 F90	F37-F41 VanDerWaalsContact O-CB 3.26Å; F37-F41 WeakPolarHBondContact O-CB 3.16Å; F37-F41 PolarHBondContact O-N 2.88Å; E39-F41 PolarHBondContact O-N 2.7Å; F41-C43 VanDerWaalsContact C-N 3.27Å; F41-C43 PolarHBondContact O-N 3.42Å; F41-I44 PolarHBondContact O-N 3.32Å; F41-I44 VanDerWaalsContact O-N 3.16Å; F41-D45 HydrophobicContact CD1-CB 4.22Å; F41-D45 HydrophobicContact CE1-CB 3.92Å; F41-D45 WeakPolarHBondContact O-CB 3.33Å; F41-D45 PolarHBondContact O-N 2.94Å; F41-I52 HydrophobicContact CD2-CD1 3.59Å; F41-I52 HydrophobicContact CD2-CG1 4.15Å; F41-I52 HydrophobicContact CE2-CD1 3.46Å; F41-I52 VanDerWaalsContact CE2-CD1 3.46Å; F41-I52 HydrophobicContact CE2-CG1 3.62Å; F41-I52 HydrophobicContact CZ-CD1 4.29Å; F41-I52 HydrophobicContact CZ-CG1 3.97Å; F41-F87 HydrophobicContact CB-CD2 3.77Å; F41-F87 HydrophobicContact CB-CE2 4.08Å; F41-F87 HydrophobicContact CD1-CD2 4.28Å; F41-F87 HydrophobicContact CD2-CB 4.4Å; F41-F87 AromaticContact CD2-CD2 3.9Å; F41-F87 HydrophobicContact CD2-CD2 3.9Å; F41-F87 HydrophobicContact CE1-CB 4.45Å; F41-F87 HydrophobicContact CE2-CB 4.32Å; F41-F87 AromaticContact CG-CD2 3.71Å; F41-F87 HydrophobicContact CG-CD2 3.71Å; F41-F87 HydrophobicContact CG-CE2 4.5Å; F41-F87 HydrophobicContact CZ-CB 4.36Å; F41-F90 HydrophobicContact CB-CD1 4.47Å; F41-F90 HydrophobicContact CB-CE1 4.38Å; F41-F90 HydrophobicContact CD2-CB 3.88Å; F41-F90 HydrophobicContact CD2-CD1 4.06Å; F41-F90 HydrophobicContact CD2-CD2 4Å; F41-F90 AromaticContact CD2-CG 3.74Å; F41-F90 HydrophobicContact CD2-CG 3.74Å; F41-F90 HydrophobicContact CE2-CB 4.08Å; F41-F90 HydrophobicContact CE2-CG 4.36Å
42	S	92.5	Very high	91.6	Very high	70 Å²	70	68.3 Å²	68.3	49%	0.49	36%	0.358	S	S	.	.	H	α-helix	trans	-68.3	-26.8	178.4	-55.6	0	0	0	0	113	K38 E39 A40	K38-S42 WeakPolarHBondContact O-CB 3.45Å; K38-S42 PolarHBondContact O-N 3.07Å; K38-S42 PolarHBondContact O-OG 3.37Å; E39-S42 PolarHBondContact O-N 2.87Å; E39-S42 VanDerWaalsContact O-N 3.14Å; A40-S42 VanDerWaalsContact C-N 3.31Å; A40-S42 PolarHBondContact O-N 3.03Å
43	C	91.9	Very high	92	Very high	86 Å²	86	67.7 Å²	67.7	58%	0.581	35%	0.35	S	S	*	.	H	α-helix	trans	-75.1	-30.6	172.4	-72.3	0	0	0	0	112.3	E39 A40 F41 Q46	E39-C43 PolarHBondContact O-N 2.78Å; E39-C43 PolarHBondContact O-SG 2.91Å; A40-C43 WeakPolarHBondContact O-CB 3.34Å; A40-C43 PolarHBondContact O-N 2.86Å; A40-C43 VanDerWaalsContact O-N 3.13Å; F41-C43 VanDerWaalsContact C-N 3.27Å; F41-C43 PolarHBondContact O-N 3.42Å; C43-Q46 PolarHBondContact O-NE2 2.89Å
44	I	94.1	Very high	92.4	Very high	31 Å²	31	65.9 Å²	65.9	16%	0.159	34%	0.34	C	S	.	.	H	α-helix	trans	-80.6	-47.2	178.2	-61.1	163.1	0	0	0	110.4	A40 F41 Q46 I52 D56 L57 T60 F90	A40-I44 WeakPolarHBondContact O-CG1 3.5Å; A40-I44 PolarHBondContact O-N 3.4Å; F41-I44 PolarHBondContact O-N 3.32Å; F41-I44 VanDerWaalsContact O-N 3.16Å; I44-Q46 VanDerWaalsContact C-N 3.3Å; I44-Q46 WeakPolarHBondContact O-CG 3.36Å; I44-Q46 PolarHBondContact O-N 3.16Å; I44-I52 HydrophobicContact CB-CD1 4.22Å; I44-I52 HydrophobicContact CB-CG1 4.47Å; I44-I52 HydrophobicContact CD1-CD1 4.37Å; I44-I52 HydrophobicContact CG2-CB 4.49Å; I44-I52 HydrophobicContact CG2-CD1 3.82Å; I44-I52 HydrophobicContact CG2-CG1 3.88Å; I44-I52 HydrophobicContact CG2-CG2 3.83Å; I44-D56 HydrophobicContact CG2-CB 4.47Å; I44-D56 WeakPolarHBondContact O-CB 3.42Å; I44-L57 HydrophobicContact CG2-CD2 4.06Å; I44-T60 HydrophobicContact CG1-CG2 4.18Å; I44-F90 HydrophobicContact CD1-CE2 4.07Å; I44-F90 HydrophobicContact CD1-CZ 4.28Å
45	D	94.9	Very high	92.6	Very high	11 Å²	11	67.7 Å²	67.7	6%	0.059	36%	0.358	C	S	.	.			trans	-70.9	77.7	-179.7	179.9	12.8	0	0	0	111.6	F41 N47 R48 D49 G50	F41-D45 HydrophobicContact CD1-CB 4.22Å; F41-D45 HydrophobicContact CE1-CB 3.92Å; F41-D45 WeakPolarHBondContact O-CB 3.33Å; F41-D45 PolarHBondContact O-N 2.94Å; D45-N47 VanDerWaalsContact C-N 3.32Å; D45-N47 PolarHBondContact O-N 3.38Å; D45-N47 PolarHBondContact OD1-OD1 2.93Å; D45-R48 PolarHBondContact O-N 3.16Å; D45-R48 VanDerWaalsContact OD1-CA 3.25Å; D45-R48 WeakPolarHBondContact OD1-CA 3.42Å; D45-R48 PolarHBondContact OD1-N 2.9Å; D45-R48 WeakPolarHBondContact OD2-CA 3.49Å; D45-D49 PolarHBondContact OD1-N 3.44Å; D45-G50 VanDerWaalsContact OD2-CA 3.23Å; D45-G50 WeakPolarHBondContact OD2-CA 3.48Å; D45-G50 PolarHBondContact OD2-N 3.27Å
46	Q	90.8	Very high	92.8	Very high	60 Å²	60	63.6 Å²	63.6	28%	0.28	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-39.5	-174.3	-62	-62.9	-29.1	0	0	111.7	C43 I44 R48 D56 E59	C43-Q46 PolarHBondContact O-NE2 2.89Å; I44-Q46 VanDerWaalsContact C-N 3.3Å; I44-Q46 WeakPolarHBondContact O-CG 3.36Å; I44-Q46 PolarHBondContact O-N 3.16Å; Q46-R48 VanDerWaalsContact C-N 3.32Å; Q46-D56 PolarHBondContact N-OD1 3.23Å; Q46-E59 HydrophobicContact CG-CB 4.15Å; Q46-E59 HydrophobicContact CG-CG 3.97Å; Q46-E59 WeakPolarHBondContact CG-OE2 3.34Å
47	N	91.6	Very high	92.9	Very high	86 Å²	86	58.2 Å²	58.2	46%	0.46	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.4	-177.9	77.5	6.3	0	0	0	113	D45 D49	D45-N47 VanDerWaalsContact C-N 3.32Å; D45-N47 PolarHBondContact O-N 3.38Å; D45-N47 PolarHBondContact OD1-OD1 2.93Å; N47-D49 VanDerWaalsContact C-N 3.28Å; N47-D49 PolarHBondContact ND2-OD2 3.45Å; N47-D49 PolarHBondContact O-N 3.27Å; N47-D49 WeakPolarHBondContact OD1-CB 3.45Å; N47-D49 PolarHBondContact OD1-N 3Å; N47-D49 PolarHBondContact OD1-OD1 3.33Å; N47-D49 PolarHBondContact OD1-OD2 3.36Å
48	R	91.9	Very high	92.9	Very high	215 Å²	215	61.9 Å²	61.9	81%	0.811	33%	0.327	S	S	*	.			trans	60	32.6	178.7	-56.4	-175.7	178.1	-168.9	-1.7	113.8	D45 Q46 G50	D45-R48 PolarHBondContact O-N 3.16Å; D45-R48 VanDerWaalsContact OD1-CA 3.25Å; D45-R48 WeakPolarHBondContact OD1-CA 3.42Å; D45-R48 PolarHBondContact OD1-N 2.9Å; D45-R48 WeakPolarHBondContact OD2-CA 3.49Å; Q46-R48 VanDerWaalsContact C-N 3.32Å; R48-G50 VanDerWaalsContact C-N 3.28Å
49	D	94	Very high	92.8	Very high	92 Å²	92	61.2 Å²	61.2	49%	0.492	33%	0.326	S	S	.	.	S	Bend	trans	-84.9	-5.5	176.4	76	14.4	0	0	0	112.9	D45 N47 I51	D45-D49 PolarHBondContact OD1-N 3.44Å; N47-D49 VanDerWaalsContact C-N 3.28Å; N47-D49 PolarHBondContact ND2-OD2 3.45Å; N47-D49 PolarHBondContact O-N 3.27Å; N47-D49 WeakPolarHBondContact OD1-CB 3.45Å; N47-D49 PolarHBondContact OD1-N 3Å; N47-D49 PolarHBondContact OD1-OD1 3.33Å; N47-D49 PolarHBondContact OD1-OD2 3.36Å; D49-I51 WeakPolarHBondContact OD1-CA 3.36Å; D49-I51 WeakPolarHBondContact OD1-CB 3.25Å; D49-I51 PolarHBondContact OD1-N 2.91Å
50	G	93.6	Very high	92.7	Very high	29 Å²	29	57.2 Å²	57.2	30%	0.299	31%	0.309	S	S	.	.	S	Bend	trans	82.5	10.7	179.2	0	0	0	0	0	113.9	D45 R48 N86	D45-G50 VanDerWaalsContact OD2-CA 3.23Å; D45-G50 WeakPolarHBondContact OD2-CA 3.48Å; D45-G50 PolarHBondContact OD2-N 3.27Å; R48-G50 VanDerWaalsContact C-N 3.28Å; G50-N86 WeakPolarHBondContact O-CA 3.41Å; G50-N86 WeakPolarHBondContact O-CB 3.45Å
51	I	94.8	Very high	92.6	Very high	69 Å²	69	57.4 Å²	57.4	35%	0.354	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	117.9	-178.8	-56.9	178.2	0	0	0	109.5	D49 C53 P84 I85	D49-I51 WeakPolarHBondContact OD1-CA 3.36Å; D49-I51 WeakPolarHBondContact OD1-CB 3.25Å; D49-I51 PolarHBondContact OD1-N 2.91Å; I51-C53 PolarHBondContact O-N 3.16Å; I51-P84 HydrophobicContact CD1-CB 4.29Å; I51-P84 HydrophobicContact CG2-CB 3.76Å; I51-I85 WeakPolarHBondContact CA-O 3.34Å
52	I	94.6	Very high	92.3	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.051	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.7	175.1	-63.5	169.6	0	0	0	109.6	F41 I44 D56 L57 L78 I85 F90	F41-I52 HydrophobicContact CD2-CD1 3.59Å; F41-I52 HydrophobicContact CD2-CG1 4.15Å; F41-I52 HydrophobicContact CE2-CD1 3.46Å; F41-I52 VanDerWaalsContact CE2-CD1 3.46Å; F41-I52 HydrophobicContact CE2-CG1 3.62Å; F41-I52 HydrophobicContact CZ-CD1 4.29Å; F41-I52 HydrophobicContact CZ-CG1 3.97Å; I44-I52 HydrophobicContact CB-CD1 4.22Å; I44-I52 HydrophobicContact CB-CG1 4.47Å; I44-I52 HydrophobicContact CD1-CD1 4.37Å; I44-I52 HydrophobicContact CG2-CB 4.49Å; I44-I52 HydrophobicContact CG2-CD1 3.82Å; I44-I52 HydrophobicContact CG2-CG1 3.88Å; I44-I52 HydrophobicContact CG2-CG2 3.83Å; I52-D56 HydrophobicContact CG2-CB 4.45Å; I52-L57 HydrophobicContact CG2-CD1 4.45Å; I52-L57 HydrophobicContact CG2-CD2 3.74Å; I52-L57 HydrophobicContact CG2-CG 3.81Å; I52-L78 HydrophobicContact CG2-CD2 4.47Å; I52-I85 HydrophobicContact CB-CB 4.24Å; I52-I85 HydrophobicContact CB-CG2 4.32Å; I52-I85 HydrophobicContact CD1-CG2 4.18Å; I52-I85 PolarHBondContact N-O 2.87Å; I52-F90 HydrophobicContact CD1-CD2 3.79Å; I52-F90 HydrophobicContact CD1-CE2 4.02Å
53	C	93.5	Very high	92	Very high	45 Å²	45	62.1 Å²	62.1	30%	0.304	32%	0.322	S	S	.	.			trans	-116.3	176.5	174.7	81.3	0	0	0	0	112.9	I51 A55 D56 L57	I51-C53 PolarHBondContact O-N 3.16Å; C53-A55 PolarHBondContact O-N 3.4Å; C53-D56 PolarHBondContact N-OD2 3.41Å; C53-D56 WeakPolarHBondContact O-CB 3.49Å; C53-D56 PolarHBondContact O-N 2.8Å; C53-D56 PolarHBondContact SG-OD2 3.43Å; C53-L57 PolarHBondContact O-N 3.13Å; C53-L57 VanDerWaalsContact O-N 3.15Å
54	K	92.8	Very high	91.7	Very high	40 Å²	40	64.2 Å²	64.2	17%	0.174	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-32.7	-178.5	-164.4	176.3	-168.7	168.8	0	112.6	R58 E71 L74 D75 L78	K54-R58 WeakPolarHBondContact O-CB 3.24Å; K54-R58 PolarHBondContact O-N 3.04Å; K54-R58 VanDerWaalsContact O-N 3.1Å; K54-E71 WeakPolarHBondContact CE-O 3.26Å; K54-E71 PolarHBondContact NZ-O 2.86Å; K54-E71 IonicContact NZ-OE2 2.94Å; K54-E71 PolarHBondContact NZ-OE2 3.12Å; K54-L74 HydrophobicContact CG-CB 4.09Å; K54-L74 HydrophobicContact CG-CD1 4.25Å; K54-D75 WeakPolarHBondContact CD-OD1 3.43Å; K54-D75 WeakPolarHBondContact CE-OD1 3.02Å; K54-D75 IonicContact NZ-OD1 3.66Å; K54-D75 PolarHBondContact NZ-OD1 3.04Å; K54-D75 IonicContact NZ-OD2 3.09Å; K54-D75 PolarHBondContact NZ-OD2 3.02Å; K54-L78 HydrophobicContact CB-CD1 3.76Å; K54-L78 HydrophobicContact CG-CD1 4.38Å
55	A	91.7	Very high	91.3	Very high	56 Å²	56	65.3 Å²	65.3	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-69.1	-43.2	178.2	0	0	0	0	0	111.4	C53 R58 E59	C53-A55 PolarHBondContact O-N 3.4Å; A55-R58 PolarHBondContact O-N 3.47Å; A55-E59 WeakPolarHBondContact O-CB 3.36Å; A55-E59 PolarHBondContact O-N 3.41Å
56	D	94.1	Very high	90.6	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-46.5	177.2	-61.8	-45.1	0	0	0	111.7	I44 Q46 I52 C53 E59 T60	I44-D56 HydrophobicContact CG2-CB 4.47Å; I44-D56 WeakPolarHBondContact O-CB 3.42Å; Q46-D56 PolarHBondContact N-OD1 3.23Å; I52-D56 HydrophobicContact CG2-CB 4.45Å; C53-D56 PolarHBondContact N-OD2 3.41Å; C53-D56 WeakPolarHBondContact O-CB 3.49Å; C53-D56 PolarHBondContact O-N 2.8Å; C53-D56 PolarHBondContact SG-OD2 3.43Å; D56-E59 PolarHBondContact O-N 3.22Å; D56-T60 WeakPolarHBondContact O-CB 3.4Å; D56-T60 PolarHBondContact O-N 2.87Å; D56-T60 PolarHBondContact O-OG1 2.91Å
57	L	91.9	Very high	89.7	Confident	15 Å²	15	72.5 Å²	72.5	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-61.8	-46.3	175.9	-66.1	178.2	0	0	0	111.3	I44 I52 C53 E59 T60 Y61 L74 M77 L78	I44-L57 HydrophobicContact CG2-CD2 4.06Å; I52-L57 HydrophobicContact CG2-CD1 4.45Å; I52-L57 HydrophobicContact CG2-CD2 3.74Å; I52-L57 HydrophobicContact CG2-CG 3.81Å; C53-L57 PolarHBondContact O-N 3.13Å; C53-L57 VanDerWaalsContact O-N 3.15Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 3.16Å; L57-T60 PolarHBondContact O-N 2.96Å; L57-Y61 WeakPolarHBondContact O-CD2 3.32Å; L57-Y61 PolarHBondContact O-N 3.49Å; L57-L74 HydrophobicContact CB-CD2 3.95Å; L57-M77 HydrophobicContact CD1-CB 4.15Å; L57-M77 HydrophobicContact CD1-SD 4.34Å; L57-M77 HydrophobicContact CD2-CE 4.3Å; L57-L78 HydrophobicContact CD1-CD2 3.75Å; L57-L78 HydrophobicContact CD1-CG 3.92Å
58	R	90.6	Very high	88.9	Confident	108 Å²	108	73.8 Å²	73.8	41%	0.408	40%	0.401	S	S	.	.	H	α-helix	trans	-58.5	-45.3	178.6	-176	-176.9	-72	113.5	-10.9	111.5	K54 A55 S62 E71 L74	K54-R58 WeakPolarHBondContact O-CB 3.24Å; K54-R58 PolarHBondContact O-N 3.04Å; K54-R58 VanDerWaalsContact O-N 3.1Å; A55-R58 PolarHBondContact O-N 3.47Å; R58-S62 WeakPolarHBondContact O-CB 3.23Å; R58-S62 PolarHBondContact O-N 2.95Å; R58-E71 IonicContact NH2-OE1 3.43Å; R58-E71 PolarHBondContact NH2-OE1 2.89Å; R58-L74 HydrophobicContact CB-CD1 4.16Å
59	E	90.3	Very high	88.5	Confident	97 Å²	97	64.9 Å²	64.9	45%	0.453	37%	0.371	S	S	.	.	H	α-helix	trans	-66.7	-42.6	178.5	-175.9	162.4	-163.5	0	0	111.4	Q46 A55 D56 L57 Y61 S62 Q63	Q46-E59 HydrophobicContact CG-CB 4.15Å; Q46-E59 HydrophobicContact CG-CG 3.97Å; Q46-E59 WeakPolarHBondContact CG-OE2 3.34Å; A55-E59 WeakPolarHBondContact O-CB 3.36Å; A55-E59 PolarHBondContact O-N 3.41Å; D56-E59 PolarHBondContact O-N 3.22Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 3.16Å; E59-Y61 PolarHBondContact O-N 3.32Å; E59-S62 WeakPolarHBondContact O-CB 3.39Å; E59-S62 PolarHBondContact O-N 3.29Å; E59-Q63 WeakPolarHBondContact O-CG 3.44Å; E59-Q63 PolarHBondContact O-N 3.38Å
60	T	91.4	Very high	88.3	Confident	23 Å²	23	64 Å²	64	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-57.6	-49.7	175.6	-56.6	0	0	0	0	111.4	I44 D56 L57 S62 Q63 L64	I44-T60 HydrophobicContact CG1-CG2 4.18Å; D56-T60 WeakPolarHBondContact O-CB 3.4Å; D56-T60 PolarHBondContact O-N 2.87Å; D56-T60 PolarHBondContact O-OG1 2.91Å; L57-T60 PolarHBondContact O-N 2.96Å; T60-S62 VanDerWaalsContact C-N 3.32Å; T60-S62 PolarHBondContact O-N 3.33Å; T60-Q63 WeakPolarHBondContact O-CB 3.25Å; T60-Q63 PolarHBondContact O-N 2.89Å; T60-Q63 VanDerWaalsContact O-N 3.16Å; T60-L64 HydrophobicContact CG2-CD1 4.39Å; T60-L64 WeakPolarHBondContact O-CG 3.42Å; T60-L64 PolarHBondContact O-N 3.14Å; T60-L64 VanDerWaalsContact O-N 3.07Å
61	Y	89.4	Confident	88	Confident	46 Å²	46	67.9 Å²	67.9	18%	0.18	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-37.7	176.9	-80.6	-70.1	0	0	0	112.6	L57 E59 Q63 L64 G65 K66 V69 L74 M77	L57-Y61 WeakPolarHBondContact O-CD2 3.32Å; L57-Y61 PolarHBondContact O-N 3.49Å; E59-Y61 PolarHBondContact O-N 3.32Å; Y61-Q63 VanDerWaalsContact C-N 3.32Å; Y61-Q63 PolarHBondContact O-N 3.42Å; Y61-L64 CarbonylContact O-C 3.5Å; Y61-L64 PolarHBondContact O-N 3.46Å; Y61-G65 PolarHBondContact O-N 2.86Å; Y61-K66 CarbonylContact C-O 3.36Å; Y61-K66 HydrophobicContact CD1-CB 4.15Å; Y61-K66 HydrophobicContact CD1-CD 4.32Å; Y61-K66 CarbonylContact O-C 3.58Å; Y61-K66 PolarHBondContact O-N 3Å; Y61-V69 HydrophobicContact CD1-CG2 3.72Å; Y61-V69 HydrophobicContact CD2-CG2 3.99Å; Y61-V69 HydrophobicContact CE1-CG2 4.24Å; Y61-V69 HydrophobicContact CG-CG2 3.57Å; Y61-L74 HydrophobicContact CD2-CD2 3.75Å; Y61-L74 HydrophobicContact CE2-CD2 3.73Å; Y61-M77 HydrophobicContact CE2-CE 4.12Å; Y61-M77 HydrophobicContact CE2-SD 3.85Å; Y61-M77 VanDerWaalsContact OH-CE 3.24Å; Y61-M77 WeakPolarHBondContact OH-CE 3.35Å; Y61-M77 PolarHBondContact OH-SD 3.17Å; Y61-M77 VanDerWaalsContact OH-SD 3.36Å
62	S	88.1	Confident	87.8	Confident	63 Å²	63	72.5 Å²	72.5	44%	0.441	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-38.6	173.8	-171.7	0	0	0	0	112.2	R58 E59 T60 L64 G65	R58-S62 WeakPolarHBondContact O-CB 3.23Å; R58-S62 PolarHBondContact O-N 2.95Å; E59-S62 WeakPolarHBondContact O-CB 3.39Å; E59-S62 PolarHBondContact O-N 3.29Å; T60-S62 VanDerWaalsContact C-N 3.32Å; T60-S62 PolarHBondContact O-N 3.33Å; S62-L64 VanDerWaalsContact C-N 3.3Å; S62-G65 PolarHBondContact O-N 2.91Å
63	Q	86.8	Confident	87.6	Confident	118 Å²	118	76 Å²	76	55%	0.551	42%	0.417	S	S	*	.	H	α-helix	trans	-67.6	-31.4	176	-70.4	176	17.6	0	0	112.1	E59 T60 Y61 G65	E59-Q63 WeakPolarHBondContact O-CG 3.44Å; E59-Q63 PolarHBondContact O-N 3.38Å; T60-Q63 WeakPolarHBondContact O-CB 3.25Å; T60-Q63 PolarHBondContact O-N 2.89Å; T60-Q63 VanDerWaalsContact O-N 3.16Å; Y61-Q63 VanDerWaalsContact C-N 3.32Å; Y61-Q63 PolarHBondContact O-N 3.42Å; Q63-G65 PolarHBondContact O-N 3.41Å
64	L	85.8	Confident	87.4	Confident	130 Å²	130	74 Å²	74	68%	0.681	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	0.9	174.5	-64.1	174.7	0	0	0	113.6	T60 Y61 S62 K66	T60-L64 HydrophobicContact CG2-CD1 4.39Å; T60-L64 WeakPolarHBondContact O-CG 3.42Å; T60-L64 PolarHBondContact O-N 3.14Å; T60-L64 VanDerWaalsContact O-N 3.07Å; Y61-L64 CarbonylContact O-C 3.5Å; Y61-L64 PolarHBondContact O-N 3.46Å; S62-L64 VanDerWaalsContact C-N 3.3Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 2.85Å
65	G	83.8	Confident	87.3	Confident	55 Å²	55	74.8 Å²	74.8	57%	0.567	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	1.1	179.9	0	0	0	0	0	114.9	Y61 S62 Q63 V67	Y61-G65 PolarHBondContact O-N 2.86Å; S62-G65 PolarHBondContact O-N 2.91Å; Q63-G65 PolarHBondContact O-N 3.41Å; G65-V67 PolarHBondContact O-N 2.75Å
66	K	80.4	Confident	87.3	Confident	103 Å²	103	74.7 Å²	74.7	45%	0.448	41%	0.408	S	S	.	.			trans	-88.2	83.2	171.6	-71	-165.4	176.1	-171.3	0	109.6	Y61 L64 S68 V69	Y61-K66 CarbonylContact C-O 3.36Å; Y61-K66 HydrophobicContact CD1-CB 4.15Å; Y61-K66 HydrophobicContact CD1-CD 4.32Å; Y61-K66 CarbonylContact O-C 3.58Å; Y61-K66 PolarHBondContact O-N 3Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 2.85Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 3.2Å; K66-V69 HydrophobicContact CB-CG2 4.24Å
67	V	72	Confident	87	Confident	118 Å²	118	77.5 Å²	77.5	72%	0.715	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.8	-171.4	-148.5	0	0	0	0	113.8	G65	G65-V67 PolarHBondContact O-N 2.75Å
68	S	75.1	Confident	87	Confident	113 Å²	113	78.7 Å²	78.7	79%	0.79	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	48	-172.4	68	0	0	0	0	113.9	K66 P70	K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 3.2Å; S68-P70 WeakPolarHBondContact O-CD 3.49Å
69	V	84.6	Confident	87	Confident	29 Å²	29	81 Å²	81	18%	0.176	44%	0.443	C	S	.	.			trans	-71.4	124.8	171.3	-175.4	0	0	0	0	109.4	Y61 K66 E73 L74	Y61-V69 HydrophobicContact CD1-CG2 3.72Å; Y61-V69 HydrophobicContact CD2-CG2 3.99Å; Y61-V69 HydrophobicContact CE1-CG2 4.24Å; Y61-V69 HydrophobicContact CG-CG2 3.57Å; K66-V69 HydrophobicContact CB-CG2 4.24Å; V69-E73 HydrophobicContact CG1-CB 4.12Å; V69-E73 HydrophobicContact CG1-CG 4.28Å; V69-L74 HydrophobicContact CB-CD2 4.27Å; V69-L74 HydrophobicContact CG1-CD2 3.66Å; V69-L74 HydrophobicContact CG1-CG 3.95Å
70	P	89.1	Confident	86.8	Confident	74 Å²	74	80.7 Å²	80.7	48%	0.481	44%	0.442	S	S	.	.			trans	-56.6	142.6	177.2	-24.7	34.3	0	0	0	112.4	S68 E72 E73 L74	S68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-E72 PolarHBondContact O-N 3.22Å; P70-E73 HydrophobicContact CB-CB 4.42Å; P70-E73 WeakPolarHBondContact CD-OE2 3.33Å; P70-E73 WeakPolarHBondContact O-CB 3.48Å; P70-E73 PolarHBondContact O-N 2.98Å; P70-E73 VanDerWaalsContact O-N 3.12Å; P70-L74 PolarHBondContact O-N 2.89Å
71	E	88.1	Confident	86.4	Confident	110 Å²	110	80 Å²	80	51%	0.514	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-33.4	179.6	-74.7	-142.1	171	0	0	113.5	K54 R58 E73 L74 D75	K54-E71 WeakPolarHBondContact CE-O 3.26Å; K54-E71 PolarHBondContact NZ-O 2.86Å; K54-E71 IonicContact NZ-OE2 2.94Å; K54-E71 PolarHBondContact NZ-OE2 3.12Å; R58-E71 IonicContact NH2-OE1 3.43Å; R58-E71 PolarHBondContact NH2-OE1 2.89Å; E71-E73 VanDerWaalsContact C-N 3.3Å; E71-E73 PolarHBondContact O-N 2.94Å; E71-L74 PolarHBondContact O-N 3.29Å; E71-D75 VanDerWaalsContact O-CG 3.26Å; E71-D75 PolarHBondContact O-N 2.73Å
72	E	90.9	Very high	85.9	Confident	165 Å²	165	86 Å²	86	77%	0.771	47%	0.466	S	S	*	.	H	α-helix	trans	-65	-34.5	178.4	-63.4	-179.7	172.8	0	0	111.9	P70 D75 A76	P70-E72 PolarHBondContact O-N 3.22Å; E72-D75 PolarHBondContact O-N 2.86Å; E72-A76 WeakPolarHBondContact O-CB 3.32Å; E72-A76 PolarHBondContact O-N 3.11Å
73	E	89.1	Confident	85.8	Confident	84 Å²	84	84.9 Å²	84.9	39%	0.393	47%	0.465	S	S	.	.	H	α-helix	trans	-69.9	-44.9	178	-169.7	-178.4	154.2	0	0	110.7	V69 P70 E71 D75 A76 M77	V69-E73 HydrophobicContact CG1-CB 4.12Å; V69-E73 HydrophobicContact CG1-CG 4.28Å; P70-E73 HydrophobicContact CB-CB 4.42Å; P70-E73 WeakPolarHBondContact CD-OE2 3.33Å; P70-E73 WeakPolarHBondContact O-CB 3.48Å; P70-E73 PolarHBondContact O-N 2.98Å; P70-E73 VanDerWaalsContact O-N 3.12Å; E71-E73 VanDerWaalsContact C-N 3.3Å; E71-E73 PolarHBondContact O-N 2.94Å; E73-D75 VanDerWaalsContact C-N 3.29Å; E73-D75 PolarHBondContact O-N 2.87Å; E73-A76 WeakPolarHBondContact O-CB 3.41Å; E73-A76 PolarHBondContact O-N 3.14Å; E73-A76 VanDerWaalsContact O-N 3.16Å; E73-M77 WeakPolarHBondContact O-CG 3.49Å; E73-M77 PolarHBondContact O-N 3.07Å
74	L	90.4	Very high	86	Confident	2 Å²	2	83.6 Å²	83.6	1%	0.01	47%	0.466	C	S	.	.	H	α-helix	trans	-61.3	-39.6	174.5	-59	-179.3	0	0	0	111.7	K54 L57 R58 Y61 V69 P70 E71 M77 L78	K54-L74 HydrophobicContact CG-CB 4.09Å; K54-L74 HydrophobicContact CG-CD1 4.25Å; L57-L74 HydrophobicContact CB-CD2 3.95Å; R58-L74 HydrophobicContact CB-CD1 4.16Å; Y61-L74 HydrophobicContact CD2-CD2 3.75Å; Y61-L74 HydrophobicContact CE2-CD2 3.73Å; V69-L74 HydrophobicContact CB-CD2 4.27Å; V69-L74 HydrophobicContact CG1-CD2 3.66Å; V69-L74 HydrophobicContact CG1-CG 3.95Å; P70-L74 PolarHBondContact O-N 2.89Å; E71-L74 PolarHBondContact O-N 3.29Å; L74-M77 HydrophobicContact CD2-SD 4.34Å; L74-M77 PolarHBondContact O-N 2.98Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.44Å; L74-L78 VanDerWaalsContact O-N 3.16Å
75	D	90.6	Very high	86.4	Confident	58 Å²	58	78 Å²	78	31%	0.31	44%	0.437	S	S	.	.	H	α-helix	trans	-67.2	-38.9	176.1	-69.9	-30.5	0	0	0	111.5	K54 E71 E72 E73 L78 Q79	K54-D75 WeakPolarHBondContact CD-OD1 3.43Å; K54-D75 WeakPolarHBondContact CE-OD1 3.02Å; K54-D75 IonicContact NZ-OD1 3.66Å; K54-D75 PolarHBondContact NZ-OD1 3.04Å; K54-D75 IonicContact NZ-OD2 3.09Å; K54-D75 PolarHBondContact NZ-OD2 3.02Å; E71-D75 VanDerWaalsContact O-CG 3.26Å; E71-D75 PolarHBondContact O-N 2.73Å; E72-D75 PolarHBondContact O-N 2.86Å; E73-D75 VanDerWaalsContact C-N 3.29Å; E73-D75 PolarHBondContact O-N 2.87Å; D75-L78 PolarHBondContact O-N 2.97Å; D75-Q79 VanDerWaalsContact O-CG 3.25Å; D75-Q79 WeakPolarHBondContact O-CG 3.47Å; D75-Q79 PolarHBondContact O-N 3.47Å
76	A	90.8	Very high	86.8	Confident	53 Å²	53	78.4 Å²	78.4	44%	0.438	43%	0.426	S	S	.	.	H	α-helix	trans	-62.5	-43.4	175.2	0	0	0	0	0	111.8	E72 E73 L78 Q79 E80	E72-A76 WeakPolarHBondContact O-CB 3.32Å; E72-A76 PolarHBondContact O-N 3.11Å; E73-A76 WeakPolarHBondContact O-CB 3.41Å; E73-A76 PolarHBondContact O-N 3.14Å; E73-A76 VanDerWaalsContact O-N 3.16Å; A76-L78 VanDerWaalsContact C-N 3.33Å; A76-L78 PolarHBondContact O-N 2.95Å; A76-Q79 PolarHBondContact O-N 2.87Å; A76-Q79 VanDerWaalsContact O-N 3.16Å; A76-E80 PolarHBondContact O-N 3.33Å
77	M	88.9	Confident	87.4	Confident	63 Å²	63	75.6 Å²	75.6	31%	0.31	41%	0.414	S	S	.	.	H	α-helix	trans	-58.9	-43.6	175.2	-67.6	175.3	80.3	0	0	112	L57 Y61 E73 L74 Q79 E80	L57-M77 HydrophobicContact CD1-CB 4.15Å; L57-M77 HydrophobicContact CD1-SD 4.34Å; L57-M77 HydrophobicContact CD2-CE 4.3Å; Y61-M77 HydrophobicContact CE2-CE 4.12Å; Y61-M77 HydrophobicContact CE2-SD 3.85Å; Y61-M77 VanDerWaalsContact OH-CE 3.24Å; Y61-M77 WeakPolarHBondContact OH-CE 3.35Å; Y61-M77 PolarHBondContact OH-SD 3.17Å; Y61-M77 VanDerWaalsContact OH-SD 3.36Å; E73-M77 WeakPolarHBondContact O-CG 3.49Å; E73-M77 PolarHBondContact O-N 3.07Å; L74-M77 HydrophobicContact CD2-SD 4.34Å; L74-M77 PolarHBondContact O-N 2.98Å; M77-Q79 VanDerWaalsContact C-N 3.3Å; M77-Q79 PolarHBondContact O-N 3.38Å; M77-E80 WeakPolarHBondContact O-CB 3.2Å; M77-E80 PolarHBondContact O-N 3.33Å
78	L	90.7	Very high	88.3	Confident	41 Å²	41	73.3 Å²	73.3	22%	0.215	40%	0.401	C	S	.	.	H	α-helix	trans	-67.9	-31.5	178.2	-66.9	174.7	0	0	0	112.5	I52 K54 L57 L74 D75 A76 E80 G81 I85	I52-L78 HydrophobicContact CG2-CD2 4.47Å; K54-L78 HydrophobicContact CB-CD1 3.76Å; K54-L78 HydrophobicContact CG-CD1 4.38Å; L57-L78 HydrophobicContact CD1-CD2 3.75Å; L57-L78 HydrophobicContact CD1-CG 3.92Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 3.44Å; L74-L78 VanDerWaalsContact O-N 3.16Å; D75-L78 PolarHBondContact O-N 2.97Å; A76-L78 VanDerWaalsContact C-N 3.33Å; A76-L78 PolarHBondContact O-N 2.95Å; L78-E80 VanDerWaalsContact C-N 3.29Å; L78-E80 PolarHBondContact O-N 3.21Å; L78-G81 PolarHBondContact O-N 2.98Å; L78-I85 HydrophobicContact CD2-CD1 4.09Å
79	Q	90.4	Very high	89.1	Confident	155 Å²	155	69.7 Å²	69.7	72%	0.724	37%	0.373	S	S	*	.	H	α-helix	trans	-72.8	-18.9	177.3	-74.9	174.9	22.6	0	0	113.7	D75 A76 M77 G81	D75-Q79 VanDerWaalsContact O-CG 3.25Å; D75-Q79 WeakPolarHBondContact O-CG 3.47Å; D75-Q79 PolarHBondContact O-N 3.47Å; A76-Q79 PolarHBondContact O-N 2.87Å; A76-Q79 VanDerWaalsContact O-N 3.16Å; M77-Q79 VanDerWaalsContact C-N 3.3Å; M77-Q79 PolarHBondContact O-N 3.38Å; Q79-G81 PolarHBondContact O-N 3.46Å
80	E	86.9	Confident	89.4	Confident	92 Å²	92	69 Å²	69	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-36.2	170.7	-62.2	-159.9	166.2	0	0	110.9	A76 M77 L78 K82 L93 K97	A76-E80 PolarHBondContact O-N 3.33Å; M77-E80 WeakPolarHBondContact O-CB 3.2Å; M77-E80 PolarHBondContact O-N 3.33Å; L78-E80 VanDerWaalsContact C-N 3.29Å; L78-E80 PolarHBondContact O-N 3.21Å; E80-K82 PolarHBondContact O-N 2.96Å; E80-L93 HydrophobicContact CB-CD2 4.16Å; E80-L93 VanDerWaalsContact O-CD2 3.32Å; E80-L93 WeakPolarHBondContact O-CD2 3.47Å; E80-K97 VanDerWaalsContact CD-NZ 3.3Å; E80-K97 IonicContact OE1-NZ 2.88Å; E80-K97 PolarHBondContact OE1-NZ 3.3Å; E80-K97 WeakPolarHBondContact OE2-CE 3.35Å; E80-K97 IonicContact OE2-NZ 2.99Å; E80-K97 PolarHBondContact OE2-NZ 3.24Å
81	G	81.6	Confident	89.4	Confident	7 Å²	7	65.5 Å²	65.5	7%	0.072	35%	0.345	C	S	.	.	S	Bend	trans	-64.3	119.4	169.4	0	0	0	0	0	110.7	L78 Q79 G83	L78-G81 PolarHBondContact O-N 2.98Å; Q79-G81 PolarHBondContact O-N 3.46Å; G81-G83 CarbonylContact C-O 3.58Å; G81-G83 PolarHBondContact O-N 3.37Å
82	K	80.9	Confident	89.4	Confident	174 Å²	174	62.5 Å²	62.5	76%	0.757	34%	0.335	S	S	*	.	S	Bend	trans	-69.3	44	172.1	-62.3	167.3	-174.2	148	0	111.8	E80 E96	E80-K82 PolarHBondContact O-N 2.96Å; K82-E96 IonicContact NZ-OE1 2.84Å; K82-E96 PolarHBondContact NZ-OE1 3.42Å; K82-E96 VanDerWaalsContact NZ-OE1 3.09Å; K82-E96 IonicContact NZ-OE2 2.76Å; K82-E96 PolarHBondContact NZ-OE2 3.42Å
83	G	85.6	Confident	89.2	Confident	39 Å²	39	55.9 Å²	55.9	40%	0.402	30%	0.304	S	S	.	.	S	Bend	trans	133.9	-171.7	-168.9	0	0	0	0	0	112.4	G81 I85	G81-G83 CarbonylContact C-O 3.58Å; G81-G83 PolarHBondContact O-N 3.37Å; G83-I85 PolarHBondContact O-N 3.12Å
84	P	90.3	Very high	89	Confident	91 Å²	91	55.7 Å²	55.7	59%	0.591	30%	0.302	S	S	*	.	S	Bend	trans	-54.7	129.4	176.6	-23.9	33.5	0	0	0	111.8	I51 N86	I51-P84 HydrophobicContact CD1-CB 4.29Å; I51-P84 HydrophobicContact CG2-CB 3.76Å; P84-N86 VanDerWaalsContact C-N 3.29Å; P84-N86 PolarHBondContact O-N 3.43Å
85	I	93.9	Very high	88.6	Confident	13 Å²	13	55.7 Å²	55.7	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	80.1	-176.8	-56	-177.9	0	0	0	109.4	I51 I52 L78 G83 V89 F90 L93	I51-I85 WeakPolarHBondContact CA-O 3.34Å; I52-I85 HydrophobicContact CB-CB 4.24Å; I52-I85 HydrophobicContact CB-CG2 4.32Å; I52-I85 HydrophobicContact CD1-CG2 4.18Å; I52-I85 PolarHBondContact N-O 2.87Å; L78-I85 HydrophobicContact CD2-CD1 4.09Å; G83-I85 PolarHBondContact O-N 3.12Å; I85-V89 HydrophobicContact CG1-CG1 4.48Å; I85-F90 HydrophobicContact CG2-CB 4.14Å; I85-F90 HydrophobicContact CG2-CD2 4.37Å; I85-L93 HydrophobicContact CD1-CD1 4.27Å
86	N	93.6	Very high	88.2	Confident	63 Å²	63	58 Å²	58	34%	0.337	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	171.5	164.8	64.8	46.8	0	0	0	111	G50 P84 T88 V89 F90	G50-N86 WeakPolarHBondContact O-CA 3.41Å; G50-N86 WeakPolarHBondContact O-CB 3.45Å; P84-N86 VanDerWaalsContact C-N 3.29Å; P84-N86 PolarHBondContact O-N 3.43Å; N86-T88 PolarHBondContact O-N 2.94Å; N86-T88 VanDerWaalsContact O-N 3.14Å; N86-T88 WeakPolarHBondContact OD1-CB 3.47Å; N86-T88 PolarHBondContact OD1-N 3.34Å; N86-T88 VanDerWaalsContact OD1-N 3.11Å; N86-V89 PolarHBondContact O-N 3.43Å; N86-V89 PolarHBondContact OD1-N 3.09Å; N86-F90 PolarHBondContact O-N 3.42Å
87	F	92.8	Very high	87.4	Confident	43 Å²	43	61.7 Å²	61.7	19%	0.189	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-35.9	-176.2	-173.9	-119.3	0	0	0	114.3	F26 I34 F37 K38 F41 F90 L91	F26-F87 HydrophobicContact CE1-CE1 4.12Å; I34-F87 HydrophobicContact CG2-CZ 4.49Å; F37-F87 HydrophobicContact CB-CE2 4.21Å; F37-F87 HydrophobicContact CB-CZ 4.43Å; K38-F87 VanDerWaalsContact CA-CE2 3.49Å; K38-F87 HydrophobicContact CB-CE1 4.48Å; K38-F87 HydrophobicContact CB-CE2 4.01Å; K38-F87 HydrophobicContact CB-CZ 3.71Å; K38-F87 HydrophobicContact CG-CZ 4.27Å; F41-F87 HydrophobicContact CB-CD2 3.77Å; F41-F87 HydrophobicContact CB-CE2 4.08Å; F41-F87 HydrophobicContact CD1-CD2 4.28Å; F41-F87 HydrophobicContact CD2-CB 4.4Å; F41-F87 AromaticContact CD2-CD2 3.9Å; F41-F87 HydrophobicContact CD2-CD2 3.9Å; F41-F87 HydrophobicContact CE1-CB 4.45Å; F41-F87 HydrophobicContact CE2-CB 4.32Å; F41-F87 AromaticContact CG-CD2 3.71Å; F41-F87 HydrophobicContact CG-CD2 3.71Å; F41-F87 HydrophobicContact CG-CE2 4.5Å; F41-F87 HydrophobicContact CZ-CB 4.36Å; F87-F90 HydrophobicContact CD2-CD1 4.39Å; F87-F90 HydrophobicContact CE2-CD1 4.42Å; F87-F90 WeakPolarHBondContact O-CB 3.37Å; F87-F90 PolarHBondContact O-N 2.75Å; F87-L91 HydrophobicContact CD1-CD1 4.2Å; F87-L91 HydrophobicContact CE1-CD1 3.64Å; F87-L91 HydrophobicContact CE1-CG 4.18Å; F87-L91 HydrophobicContact CE2-CD1 4.48Å; F87-L91 HydrophobicContact CE2-CD2 4.34Å; F87-L91 HydrophobicContact CE2-CG 4.15Å; F87-L91 HydrophobicContact CZ-CD1 3.8Å; F87-L91 HydrophobicContact CZ-CD2 4.11Å; F87-L91 HydrophobicContact CZ-CG 3.93Å; F87-L91 WeakPolarHBondContact O-CG 3.4Å; F87-L91 PolarHBondContact O-N 3.04Å
88	T	91.3	Very high	86.5	Confident	71 Å²	71	62 Å²	62	44%	0.436	32%	0.321	S	S	.	.	H	α-helix	trans	-68.7	-41	177.6	-52.4	0	0	0	0	111.7	V25 F26 N86 T92	V25-T88 HydrophobicContact CG1-CG2 4.19Å; F26-T88 HydrophobicContact CE2-CG2 4.43Å; N86-T88 PolarHBondContact O-N 2.94Å; N86-T88 VanDerWaalsContact O-N 3.14Å; N86-T88 WeakPolarHBondContact OD1-CB 3.47Å; N86-T88 PolarHBondContact OD1-N 3.34Å; N86-T88 VanDerWaalsContact OD1-N 3.11Å; T88-T92 PolarHBondContact O-N 3.45Å; T88-T92 PolarHBondContact O-OG1 3.02Å
89	V	90.9	Very high	85.6	Confident	36 Å²	36	65.9 Å²	65.9	22%	0.218	34%	0.341	C	S	.	.	H	α-helix	trans	-65.9	-43.5	174.8	175	0	0	0	0	110	I85 N86 L91 T92 L93	I85-V89 HydrophobicContact CG1-CG1 4.48Å; N86-V89 PolarHBondContact O-N 3.43Å; N86-V89 PolarHBondContact OD1-N 3.09Å; V89-L91 PolarHBondContact O-N 3.16Å; V89-T92 CarbonylContact O-C 3.59Å; V89-T92 WeakPolarHBondContact O-CA 3.46Å; V89-T92 WeakPolarHBondContact O-CB 3.5Å; V89-T92 PolarHBondContact O-N 2.85Å; V89-L93 HydrophobicContact CG1-CD1 4.35Å; V89-L93 HydrophobicContact CG1-CG 4.39Å; V89-L93 WeakPolarHBondContact O-CG 3.29Å; V89-L93 PolarHBondContact O-N 3.05Å
90	F	90.8	Very high	84.5	Confident	15 Å²	15	61.9 Å²	61.9	7%	0.066	34%	0.342	C	S	.	.	H	α-helix	trans	-53.8	-53.5	174.5	-175.8	-97.2	0	0	0	111.4	F37 F41 I44 I52 I85 N86 F87 T92 L93 F94	F37-F90 HydrophobicContact CB-CE1 4.23Å; F37-F90 HydrophobicContact CD1-CE1 4.2Å; F41-F90 HydrophobicContact CB-CD1 4.47Å; F41-F90 HydrophobicContact CB-CE1 4.38Å; F41-F90 HydrophobicContact CD2-CB 3.88Å; F41-F90 HydrophobicContact CD2-CD1 4.06Å; F41-F90 HydrophobicContact CD2-CD2 4Å; F41-F90 AromaticContact CD2-CG 3.74Å; F41-F90 HydrophobicContact CD2-CG 3.74Å; F41-F90 HydrophobicContact CE2-CB 4.08Å; F41-F90 HydrophobicContact CE2-CG 4.36Å; I44-F90 HydrophobicContact CD1-CE2 4.07Å; I44-F90 HydrophobicContact CD1-CZ 4.28Å; I52-F90 HydrophobicContact CD1-CD2 3.79Å; I52-F90 HydrophobicContact CD1-CE2 4.02Å; I85-F90 HydrophobicContact CG2-CB 4.14Å; I85-F90 HydrophobicContact CG2-CD2 4.37Å; N86-F90 PolarHBondContact O-N 3.42Å; F87-F90 HydrophobicContact CD2-CD1 4.39Å; F87-F90 HydrophobicContact CE2-CD1 4.42Å; F87-F90 WeakPolarHBondContact O-CB 3.37Å; F87-F90 PolarHBondContact O-N 2.75Å; F90-T92 PolarHBondContact O-N 3.32Å; F90-L93 PolarHBondContact O-N 3.38Å; F90-L93 VanDerWaalsContact O-N 3.12Å; F90-F94 HydrophobicContact CD1-CD2 4Å; F90-F94 HydrophobicContact CD1-CE2 4.15Å; F90-F94 HydrophobicContact CD2-CD2 4.35Å; F90-F94 AromaticContact CD2-CE2 3.94Å; F90-F94 HydrophobicContact CD2-CE2 3.94Å; F90-F94 AromaticContact CE1-CD2 3.8Å; F90-F94 HydrophobicContact CE1-CD2 3.8Å; F90-F94 AromaticContact CE1-CE2 3.64Å; F90-F94 HydrophobicContact CE1-CE2 3.64Å; F90-F94 HydrophobicContact CE2-CD2 4.2Å; F90-F94 AromaticContact CE2-CE2 3.43Å; F90-F94 HydrophobicContact CE2-CE2 3.43Å; F90-F94 VanDerWaalsContact CE2-CE2 3.43Å; F90-F94 HydrophobicContact CE2-CZ 4.31Å; F90-F94 HydrophobicContact CG-CD2 4.27Å; F90-F94 HydrophobicContact CG-CE2 4.29Å; F90-F94 AromaticContact CZ-CD2 3.92Å; F90-F94 HydrophobicContact CZ-CD2 3.92Å; F90-F94 AromaticContact CZ-CE2 3.25Å; F90-F94 HydrophobicContact CZ-CE2 3.25Å; F90-F94 AromaticContact CZ-CZ 3.99Å; F90-F94 HydrophobicContact CZ-CZ 3.99Å; F90-F94 WeakPolarHBondContact O-CD2 3.49Å; F90-F94 PolarHBondContact O-N 3.4Å; F90-F94 VanDerWaalsContact O-N 3.07Å
91	L	89.9	Confident	84.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-32.4	174.2	-74.2	-179.7	0	0	0	113	V25 F26 F29 F37 F87 V89 G95	V25-L91 HydrophobicContact CG1-CB 4.26Å; V25-L91 HydrophobicContact CG2-CB 4.1Å; V25-L91 WeakPolarHBondContact CG2-O 3.41Å; F26-L91 HydrophobicContact CD1-CD1 3.67Å; F26-L91 HydrophobicContact CE1-CD1 3.24Å; F26-L91 HydrophobicContact CG-CD1 4.5Å; F26-L91 HydrophobicContact CZ-CD1 3.77Å; F29-L91 HydrophobicContact CD2-CD2 4.45Å; F29-L91 HydrophobicContact CE2-CD2 4.4Å; F29-L91 WeakPolarHBondContact CE2-O 3.4Å; F37-L91 HydrophobicContact CB-CD2 3.64Å; F37-L91 HydrophobicContact CD2-CD2 3.47Å; F37-L91 VanDerWaalsContact CD2-CD2 3.47Å; F37-L91 HydrophobicContact CE2-CD2 4.35Å; F37-L91 HydrophobicContact CG-CD2 3.76Å; F87-L91 HydrophobicContact CD1-CD1 4.2Å; F87-L91 HydrophobicContact CE1-CD1 3.64Å; F87-L91 HydrophobicContact CE1-CG 4.18Å; F87-L91 HydrophobicContact CE2-CD1 4.48Å; F87-L91 HydrophobicContact CE2-CD2 4.34Å; F87-L91 HydrophobicContact CE2-CG 4.15Å; F87-L91 HydrophobicContact CZ-CD1 3.8Å; F87-L91 HydrophobicContact CZ-CD2 4.11Å; F87-L91 HydrophobicContact CZ-CG 3.93Å; F87-L91 WeakPolarHBondContact O-CG 3.4Å; F87-L91 PolarHBondContact O-N 3.04Å; V89-L91 PolarHBondContact O-N 3.16Å; L91-G95 WeakPolarHBondContact O-CA 3.34Å; L91-G95 PolarHBondContact O-N 3.36Å
92	T	87.8	Confident	84.1	Confident	48 Å²	48	65.2 Å²	65.2	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-71.2	-38.5	177.6	-53.8	0	0	0	0	111.5	T88 V89 F90 G95 E96	T88-T92 PolarHBondContact O-N 3.45Å; T88-T92 PolarHBondContact O-OG1 3.02Å; V89-T92 CarbonylContact O-C 3.59Å; V89-T92 WeakPolarHBondContact O-CA 3.46Å; V89-T92 WeakPolarHBondContact O-CB 3.5Å; V89-T92 PolarHBondContact O-N 2.85Å; F90-T92 PolarHBondContact O-N 3.32Å; T92-G95 PolarHBondContact O-N 3.32Å; T92-E96 HydrophobicContact CG2-CG 4.31Å; T92-E96 WeakPolarHBondContact O-CB 3.47Å; T92-E96 WeakPolarHBondContact O-CG 3.5Å; T92-E96 PolarHBondContact O-N 3.46Å
93	L	87.1	Confident	84.2	Confident	25 Å²	25	61.4 Å²	61.4	13%	0.131	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-47.9	175.3	-65.6	174.3	0	0	0	111	E80 I85 V89 F90 G95 E96 K97	E80-L93 HydrophobicContact CB-CD2 4.16Å; E80-L93 VanDerWaalsContact O-CD2 3.32Å; E80-L93 WeakPolarHBondContact O-CD2 3.47Å; I85-L93 HydrophobicContact CD1-CD1 4.27Å; V89-L93 HydrophobicContact CG1-CD1 4.35Å; V89-L93 HydrophobicContact CG1-CG 4.39Å; V89-L93 WeakPolarHBondContact O-CG 3.29Å; V89-L93 PolarHBondContact O-N 3.05Å; F90-L93 PolarHBondContact O-N 3.38Å; F90-L93 VanDerWaalsContact O-N 3.12Å; L93-G95 VanDerWaalsContact C-N 3.29Å; L93-G95 PolarHBondContact O-N 3.01Å; L93-E96 PolarHBondContact O-N 3.28Å; L93-K97 WeakPolarHBondContact O-CB 3.41Å; L93-K97 WeakPolarHBondContact O-CG 3.41Å; L93-K97 PolarHBondContact O-N 2.98Å
94	F	83.5	Confident	84.2	Confident	80 Å²	80	63 Å²	63	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-64.5	-36.9	173.6	-79.5	-83	0	0	0	111.7	F29 F37 F90 K97 L98	F29-F94 HydrophobicContact CZ-CB 4.24Å; F37-F94 HydrophobicContact CD1-CG 4.36Å; F37-F94 HydrophobicContact CE1-CB 4.15Å; F37-F94 AromaticContact CE1-CD1 3.74Å; F37-F94 HydrophobicContact CE1-CD1 3.74Å; F37-F94 HydrophobicContact CE1-CD2 4.43Å; F37-F94 HydrophobicContact CE1-CE1 4.27Å; F37-F94 AromaticContact CE1-CG 3.83Å; F37-F94 HydrophobicContact CE1-CG 3.83Å; F37-F94 HydrophobicContact CZ-CB 4.13Å; F37-F94 HydrophobicContact CZ-CD1 4.28Å; F37-F94 HydrophobicContact CZ-CG 4.29Å; F90-F94 HydrophobicContact CD1-CD2 4Å; F90-F94 HydrophobicContact CD1-CE2 4.15Å; F90-F94 HydrophobicContact CD2-CD2 4.35Å; F90-F94 AromaticContact CD2-CE2 3.94Å; F90-F94 HydrophobicContact CD2-CE2 3.94Å; F90-F94 AromaticContact CE1-CD2 3.8Å; F90-F94 HydrophobicContact CE1-CD2 3.8Å; F90-F94 AromaticContact CE1-CE2 3.64Å; F90-F94 HydrophobicContact CE1-CE2 3.64Å; F90-F94 HydrophobicContact CE2-CD2 4.2Å; F90-F94 AromaticContact CE2-CE2 3.43Å; F90-F94 HydrophobicContact CE2-CE2 3.43Å; F90-F94 VanDerWaalsContact CE2-CE2 3.43Å; F90-F94 HydrophobicContact CE2-CZ 4.31Å; F90-F94 HydrophobicContact CG-CD2 4.27Å; F90-F94 HydrophobicContact CG-CE2 4.29Å; F90-F94 AromaticContact CZ-CD2 3.92Å; F90-F94 HydrophobicContact CZ-CD2 3.92Å; F90-F94 AromaticContact CZ-CE2 3.25Å; F90-F94 HydrophobicContact CZ-CE2 3.25Å; F90-F94 AromaticContact CZ-CZ 3.99Å; F90-F94 HydrophobicContact CZ-CZ 3.99Å; F90-F94 WeakPolarHBondContact O-CD2 3.49Å; F90-F94 PolarHBondContact O-N 3.4Å; F90-F94 VanDerWaalsContact O-N 3.07Å; F94-K97 PolarHBondContact O-N 3.39Å; F94-L98 HydrophobicContact CB-CD1 4.36Å; F94-L98 HydrophobicContact CD1-CD1 4.3Å; F94-L98 WeakPolarHBondContact O-CB 3.38Å; F94-L98 VanDerWaalsContact O-CG 3.24Å; F94-L98 WeakPolarHBondContact O-CG 3.3Å; F94-L98 PolarHBondContact O-N 3.34Å
95	G	82.6	Confident	84.1	Confident	2 Å²	2	65.8 Å²	65.8	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-62.3	-52.3	177.6	0	0	0	0	0	110.7	L91 T92 L93 K97 L98 N99	L91-G95 WeakPolarHBondContact O-CA 3.34Å; L91-G95 PolarHBondContact O-N 3.36Å; T92-G95 PolarHBondContact O-N 3.32Å; L93-G95 VanDerWaalsContact C-N 3.29Å; L93-G95 PolarHBondContact O-N 3.01Å; G95-K97 VanDerWaalsContact C-N 3.32Å; G95-K97 PolarHBondContact O-N 2.96Å; G95-L98 PolarHBondContact O-N 3.24Å; G95-N99 WeakPolarHBondContact O-CA 3.4Å; G95-N99 WeakPolarHBondContact O-CB 3.29Å; G95-N99 PolarHBondContact O-N 2.8Å
96	E	81.6	Confident	83.9	Confident	107 Å²	107	67.3 Å²	67.3	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-37.7	178.1	-72.1	179.5	174.8	0	0	112.2	K82 T92 L93	K82-E96 IonicContact NZ-OE1 2.84Å; K82-E96 PolarHBondContact NZ-OE1 3.42Å; K82-E96 VanDerWaalsContact NZ-OE1 3.09Å; K82-E96 IonicContact NZ-OE2 2.76Å; K82-E96 PolarHBondContact NZ-OE2 3.42Å; T92-E96 HydrophobicContact CG2-CG 4.31Å; T92-E96 WeakPolarHBondContact O-CB 3.47Å; T92-E96 WeakPolarHBondContact O-CG 3.5Å; T92-E96 PolarHBondContact O-N 3.46Å; L93-E96 PolarHBondContact O-N 3.28Å
97	K	75.4	Confident	83.7	Confident	131 Å²	131	65.4 Å²	65.4	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-78	-33.5	179.4	-69.5	-172.8	-165.2	-123.5	0	114.1	E80 L93 F94 G95	E80-K97 VanDerWaalsContact CD-NZ 3.3Å; E80-K97 IonicContact OE1-NZ 2.88Å; E80-K97 PolarHBondContact OE1-NZ 3.3Å; E80-K97 WeakPolarHBondContact OE2-CE 3.35Å; E80-K97 IonicContact OE2-NZ 2.99Å; E80-K97 PolarHBondContact OE2-NZ 3.24Å; L93-K97 WeakPolarHBondContact O-CB 3.41Å; L93-K97 WeakPolarHBondContact O-CG 3.41Å; L93-K97 PolarHBondContact O-N 2.98Å; F94-K97 PolarHBondContact O-N 3.39Å; G95-K97 VanDerWaalsContact C-N 3.32Å; G95-K97 PolarHBondContact O-N 2.96Å
98	L	70	Confident	83.6	Confident	70 Å²	70	64.6 Å²	64.6	37%	0.366	36%	0.36	S	S	.	.	H	α-helix	trans	-92.8	-14.3	-179.9	-62.4	173.1	0	0	0	112.8	F29 F37 F94 G95 G100 T101	F29-L98 HydrophobicContact CE1-CD1 4.08Å; F37-L98 HydrophobicContact CZ-CD1 3.97Å; F94-L98 HydrophobicContact CB-CD1 4.36Å; F94-L98 HydrophobicContact CD1-CD1 4.3Å; F94-L98 WeakPolarHBondContact O-CB 3.38Å; F94-L98 VanDerWaalsContact O-CG 3.24Å; F94-L98 WeakPolarHBondContact O-CG 3.3Å; F94-L98 PolarHBondContact O-N 3.34Å; G95-L98 PolarHBondContact O-N 3.24Å; L98-G100 PolarHBondContact O-N 3.19Å; L98-T101 PolarHBondContact O-N 3.43Å
99	N	70.4	Confident	83.6	Confident	121 Å²	121	63.5 Å²	63.5	65%	0.647	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	125.9	-179.7	-178.8	31.5	0	0	0	110.9	G95	G95-N99 WeakPolarHBondContact O-CA 3.4Å; G95-N99 WeakPolarHBondContact O-CB 3.29Å; G95-N99 PolarHBondContact O-N 2.8Å
100	G	68.6	Low	83.5	Confident	72 Å²	72	64.2 Å²	64.2	74%	0.742	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	-2.1	-179.3	0	0	0	0	0	114.8	L98	L98-G100 PolarHBondContact O-N 3.19Å
101	T	77.1	Confident	83.5	Confident	61 Å²	61	64.3 Å²	64.3	37%	0.374	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-96.5	124.2	172.2	-50.9	0	0	0	0	109.9	L98 I107 I167 T168	L98-T101 PolarHBondContact O-N 3.43Å; T101-I107 HydrophobicContact CG2-CD1 4.18Å; T101-I167 HydrophobicContact CG2-CG2 4.13Å; T101-T168 HydrophobicContact CG2-CG2 4.2Å
102	D	83.1	Confident	83.5	Confident	108 Å²	108	71.2 Å²	71.2	58%	0.578	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-71.6	155.6	174.7	-75.4	-40.8	0	0	0	111.3	A106 I107	D102-A106 HydrophobicContact CB-CB 4.17Å; D102-I107 HydrophobicContact CB-CD1 4.39Å; D102-I107 HydrophobicContact CB-CG1 3.86Å; D102-I107 VanDerWaalsContact O-CD1 3.24Å; D102-I107 WeakPolarHBondContact O-CD1 3.42Å
103	P	82.4	Confident	83.4	Confident	93 Å²	93	76.4 Å²	76.4	60%	0.604	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-54.9	147.1	172.6	-24.1	33.4	0	0	0	111.8	E105 A106 I107	P103-E105 PolarHBondContact O-N 3.08Å; P103-E105 VanDerWaalsContact O-N 3.11Å; P103-A106 WeakPolarHBondContact O-CA 3.24Å; P103-A106 WeakPolarHBondContact O-CB 3.18Å; P103-A106 PolarHBondContact O-N 3.43Å; P103-I107 PolarHBondContact O-N 2.82Å; P103-I107 VanDerWaalsContact O-N 3.11Å
104	E	85.8	Confident	83.2	Confident	74 Å²	74	80.8 Å²	80.8	35%	0.346	43%	0.433	S	S	.	.	H	α-helix	trans	-51.6	-41.7	-178.4	-163.3	-173.4	143.6	0	0	112.1	A106 I107 L108 C164 T168 H169	E104-A106 VanDerWaalsContact C-N 3.32Å; E104-A106 PolarHBondContact O-N 3.49Å; E104-I107 PolarHBondContact O-N 2.79Å; E104-L108 HydrophobicContact CG-CD1 4.16Å; E104-L108 HydrophobicContact CG-CG 4.39Å; E104-L108 WeakPolarHBondContact O-CB 3.39Å; E104-L108 VanDerWaalsContact O-CG 3.25Å; E104-L108 WeakPolarHBondContact O-CG 3.43Å; E104-L108 PolarHBondContact O-N 3.46Å; E104-C164 HydrophobicContact CG-CB 4.45Å; E104-C164 WeakPolarHBondContact CG-SG 3.32Å; E104-T168 HydrophobicContact CB-CG2 4.28Å; E104-H169 IonicContact OE2-CE1 2.86Å
105	E	87.4	Confident	83.5	Confident	148 Å²	148	77.4 Å²	77.4	69%	0.692	42%	0.418	S	S	*	.	H	α-helix	trans	-61.2	-37.8	177.7	-174	178.2	-173.4	0	0	113.1	P103 S109	P103-E105 PolarHBondContact O-N 3.08Å; P103-E105 VanDerWaalsContact O-N 3.11Å; E105-S109 VanDerWaalsContact O-CB 3.24Å; E105-S109 WeakPolarHBondContact O-CB 3.47Å; E105-S109 PolarHBondContact O-N 3.02Å; E105-S109 PolarHBondContact O-OG 2.76Å
106	A	89.4	Confident	83.7	Confident	45 Å²	45	83.1 Å²	83.1	37%	0.372	46%	0.455	S	S	.	.	H	α-helix	trans	-70.3	-44.1	178.6	0	0	0	0	0	110.8	D102 P103 E104 S109 A110	D102-A106 HydrophobicContact CB-CB 4.17Å; P103-A106 WeakPolarHBondContact O-CA 3.24Å; P103-A106 WeakPolarHBondContact O-CB 3.18Å; P103-A106 PolarHBondContact O-N 3.43Å; E104-A106 VanDerWaalsContact C-N 3.32Å; E104-A106 PolarHBondContact O-N 3.49Å; A106-S109 PolarHBondContact O-N 3.27Å; A106-A110 PolarHBondContact O-N 2.83Å
107	I	89.8	Confident	84	Confident	23 Å²	23	81.7 Å²	81.7	12%	0.118	46%	0.457	C	S	.	.	H	α-helix	trans	-61.5	-48.7	175.8	-60.6	173.4	0	0	0	110.2	T101 D102 P103 E104 S109 A110 F111 C164 I167 T168	T101-I107 HydrophobicContact CG2-CD1 4.18Å; D102-I107 HydrophobicContact CB-CD1 4.39Å; D102-I107 HydrophobicContact CB-CG1 3.86Å; D102-I107 VanDerWaalsContact O-CD1 3.24Å; D102-I107 WeakPolarHBondContact O-CD1 3.42Å; P103-I107 PolarHBondContact O-N 2.82Å; P103-I107 VanDerWaalsContact O-N 3.11Å; E104-I107 PolarHBondContact O-N 2.79Å; I107-S109 VanDerWaalsContact C-N 3.28Å; I107-S109 PolarHBondContact O-N 2.75Å; I107-A110 WeakPolarHBondContact O-CB 3.44Å; I107-A110 PolarHBondContact O-N 3.2Å; I107-A110 VanDerWaalsContact O-N 3.15Å; I107-F111 HydrophobicContact CG2-CD2 3.98Å; I107-F111 HydrophobicContact CG2-CE2 3.78Å; I107-F111 WeakPolarHBondContact O-CD2 3.04Å; I107-F111 PolarHBondContact O-N 2.94Å; I107-F111 VanDerWaalsContact O-N 3.11Å; I107-C164 VanDerWaalsContact CB-SG 3.56Å; I107-C164 HydrophobicContact CG2-CB 4.24Å; I107-C164 WeakPolarHBondContact CG2-SG 3.38Å; I107-I167 HydrophobicContact CD1-CG2 4.13Å; I107-T168 HydrophobicContact CD1-CG2 3.94Å
108	L	91.3	Very high	84.6	Confident	26 Å²	26	78.3 Å²	78.3	14%	0.136	46%	0.459	C	S	.	.	H	α-helix	trans	-59.3	-39.3	176.1	-72.8	175.9	0	0	0	112.3	E104 A110 F111 R112 Y160 K161 C164	E104-L108 HydrophobicContact CG-CD1 4.16Å; E104-L108 HydrophobicContact CG-CG 4.39Å; E104-L108 WeakPolarHBondContact O-CB 3.39Å; E104-L108 VanDerWaalsContact O-CG 3.25Å; E104-L108 WeakPolarHBondContact O-CG 3.43Å; E104-L108 PolarHBondContact O-N 3.46Å; L108-A110 VanDerWaalsContact C-N 3.33Å; L108-F111 PolarHBondContact O-N 2.95Å; L108-R112 WeakPolarHBondContact O-CG 3.26Å; L108-R112 PolarHBondContact O-N 3.33Å; L108-Y160 HydrophobicContact CD2-CD2 3.98Å; L108-Y160 HydrophobicContact CD2-CE2 4.18Å; L108-K161 HydrophobicContact CD2-CB 4.29Å; L108-K161 HydrophobicContact CD2-CG 3.94Å; L108-C164 HydrophobicContact CD2-CB 3.72Å; L108-C164 HydrophobicContact CG-CB 4.18Å
109	S	89.9	Confident	85.5	Confident	49 Å²	49	82.3 Å²	82.3	34%	0.343	47%	0.474	S	S	.	.	H	α-helix	trans	-66.5	-35.6	177.9	-64.7	0	0	0	0	112.2	E105 A106 I107 R112	E105-S109 VanDerWaalsContact O-CB 3.24Å; E105-S109 WeakPolarHBondContact O-CB 3.47Å; E105-S109 PolarHBondContact O-N 3.02Å; E105-S109 PolarHBondContact O-OG 2.76Å; A106-S109 PolarHBondContact O-N 3.27Å; I107-S109 VanDerWaalsContact C-N 3.28Å; I107-S109 PolarHBondContact O-N 2.75Å; S109-R112 PolarHBondContact O-N 3.13Å
110	A	90.1	Very high	86.4	Confident	51 Å²	51	77 Å²	77	42%	0.421	45%	0.447	S	S	.	.	H	α-helix	trans	-63.8	-43.9	172.2	0	0	0	0	0	111.5	A106 I107 L108 R112 M113	A106-A110 PolarHBondContact O-N 2.83Å; I107-A110 WeakPolarHBondContact O-CB 3.44Å; I107-A110 PolarHBondContact O-N 3.2Å; I107-A110 VanDerWaalsContact O-N 3.15Å; L108-A110 VanDerWaalsContact C-N 3.33Å; A110-R112 VanDerWaalsContact C-N 3.33Å; A110-R112 PolarHBondContact O-N 3.22Å; A110-M113 WeakPolarHBondContact O-CB 3.39Å; A110-M113 PolarHBondContact O-N 3.11Å; A110-M113 VanDerWaalsContact O-N 3.16Å
111	F	90.1	Very high	87.5	Confident	17 Å²	17	75.5 Å²	75.5	8%	0.075	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-34.2	176.8	-81.8	-72	0	0	0	113.7	I107 L108 M113 F114 D115 V122 F127 Y160 L163	I107-F111 HydrophobicContact CG2-CD2 3.98Å; I107-F111 HydrophobicContact CG2-CE2 3.78Å; I107-F111 WeakPolarHBondContact O-CD2 3.04Å; I107-F111 PolarHBondContact O-N 2.94Å; I107-F111 VanDerWaalsContact O-N 3.11Å; L108-F111 PolarHBondContact O-N 2.95Å; F111-M113 PolarHBondContact O-N 2.99Å; F111-M113 VanDerWaalsContact O-N 3.11Å; F111-F114 PolarHBondContact O-N 3.44Å; F111-D115 PolarHBondContact O-N 3.24Å; F111-V122 HydrophobicContact CD1-CG1 4.48Å; F111-F127 HydrophobicContact CE1-CD2 4.42Å; F111-F127 HydrophobicContact CE1-CE1 4.07Å; F111-F127 AromaticContact CE1-CE2 3.66Å; F111-F127 HydrophobicContact CE1-CE2 3.66Å; F111-F127 AromaticContact CE1-CZ 3.47Å; F111-F127 HydrophobicContact CE1-CZ 3.47Å; F111-F127 VanDerWaalsContact CE1-CZ 3.47Å; F111-F127 HydrophobicContact CZ-CE1 4.34Å; F111-F127 HydrophobicContact CZ-CE2 4.29Å; F111-F127 AromaticContact CZ-CZ 3.72Å; F111-F127 HydrophobicContact CZ-CZ 3.72Å; F111-Y160 HydrophobicContact CB-CD1 4.27Å; F111-Y160 HydrophobicContact CB-CD2 3.46Å; F111-Y160 VanDerWaalsContact CB-CD2 3.46Å; F111-Y160 HydrophobicContact CB-CE2 3.91Å; F111-Y160 HydrophobicContact CB-CG 3.67Å; F111-Y160 HydrophobicContact CD1-CG 4.16Å; F111-Y160 HydrophobicContact CD2-CD2 4.38Å; F111-Y160 AromaticContact CG-CD2 3.98Å; F111-Y160 HydrophobicContact CG-CD2 3.98Å; F111-Y160 AromaticContact CG-CG 3.9Å; F111-Y160 HydrophobicContact CG-CG 3.9Å; F111-L163 HydrophobicContact CE1-CD2 4.46Å; F111-L163 HydrophobicContact CZ-CD2 3.87Å
112	R	89.5	Confident	88.2	Confident	145 Å²	145	73.1 Å²	73.1	55%	0.547	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-23.3	175.5	-74.1	173.4	-175.5	163	1.8	113.1	L108 S109 A110 F114 D115	L108-R112 WeakPolarHBondContact O-CG 3.26Å; L108-R112 PolarHBondContact O-N 3.33Å; S109-R112 PolarHBondContact O-N 3.13Å; A110-R112 VanDerWaalsContact C-N 3.33Å; A110-R112 PolarHBondContact O-N 3.22Å; R112-F114 PolarHBondContact O-N 3.09Å; R112-D115 CarbonylContact O-C 3.49Å; R112-D115 PolarHBondContact O-N 2.69Å
113	M	86.3	Confident	88.5	Confident	156 Å²	156	70.6 Å²	70.6	77%	0.768	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.7	174.2	-61.1	-179	60.7	0	0	112.8	A110 F111	A110-M113 WeakPolarHBondContact O-CB 3.39Å; A110-M113 PolarHBondContact O-N 3.11Å; A110-M113 VanDerWaalsContact O-N 3.16Å; F111-M113 PolarHBondContact O-N 2.99Å; F111-M113 VanDerWaalsContact O-N 3.11Å
114	F	83.8	Confident	88.9	Confident	117 Å²	117	68.5 Å²	68.5	51%	0.513	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-11.3	178.4	-60.5	-77.5	0	0	0	113.6	F111 R112 P116 V122 L130	F111-F114 PolarHBondContact O-N 3.44Å; R112-F114 PolarHBondContact O-N 3.09Å; F114-P116 VanDerWaalsContact C-CD 3.46Å; F114-P116 WeakPolarHBondContact O-CD 3.47Å; F114-V122 HydrophobicContact CB-CG1 4.05Å; F114-L130 HydrophobicContact CD1-CD1 3.83Å; F114-L130 HydrophobicContact CE1-CD1 3.43Å; F114-L130 VanDerWaalsContact CE1-CD1 3.43Å; F114-L130 HydrophobicContact CZ-CD1 4.12Å
115	D	89.4	Confident	89.1	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.048	38%	0.382	C	S	.	.			trans	-123.2	74.7	174.9	179.4	18.4	0	0	0	111.6	F111 R112 S117 G118 K119 G120 Y160	F111-D115 PolarHBondContact O-N 3.24Å; R112-D115 CarbonylContact O-C 3.49Å; R112-D115 PolarHBondContact O-N 2.69Å; D115-S117 PolarHBondContact O-N 3.27Å; D115-S117 VanDerWaalsContact O-N 3.08Å; D115-S117 PolarHBondContact OD1-N 3.39Å; D115-S117 PolarHBondContact OD1-OG 3.13Å; D115-G118 PolarHBondContact O-N 2.9Å; D115-G118 PolarHBondContact OD1-N 3.11Å; D115-G118 VanDerWaalsContact OD2-C 3.28Å; D115-G118 WeakPolarHBondContact OD2-CA 3.44Å; D115-K119 VanDerWaalsContact CG-N 3.34Å; D115-K119 PolarHBondContact OD1-N 3.48Å; D115-K119 WeakPolarHBondContact OD2-CA 3.31Å; D115-K119 PolarHBondContact OD2-N 2.96Å; D115-G120 PolarHBondContact OD2-N 3.14Å; D115-Y160 HydrophobicContact CB-CE1 4.1Å
116	P	86.3	Confident	89.1	Confident	123 Å²	123	69.2 Å²	69.2	80%	0.799	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.3	176.2	-21	32.3	0	0	0	113.3	F114	F114-P116 VanDerWaalsContact C-CD 3.46Å; F114-P116 WeakPolarHBondContact O-CD 3.47Å
117	S	88.3	Confident	89.1	Confident	76 Å²	76	68.1 Å²	68.1	53%	0.531	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-11	178.5	48.9	0	0	0	0	114.2	D115 K119	D115-S117 PolarHBondContact O-N 3.27Å; D115-S117 VanDerWaalsContact O-N 3.08Å; D115-S117 PolarHBondContact OD1-N 3.39Å; D115-S117 PolarHBondContact OD1-OG 3.13Å; S117-K119 VanDerWaalsContact C-N 3.26Å; S117-K119 PolarHBondContact O-N 2.8Å; S117-K119 WeakPolarHBondContact OG-CD 3.18Å; S117-K119 VanDerWaalsContact OG-CE 3.24Å; S117-K119 WeakPolarHBondContact OG-CE 3.44Å; S117-K119 WeakPolarHBondContact OG-CG 3.26Å
118	G	88.2	Confident	89.1	Confident	60 Å²	60	68.9 Å²	68.9	62%	0.619	37%	0.369	S	S	*	.			trans	62.1	30.2	179.9	0	0	0	0	0	114.1	D115 G120	D115-G118 PolarHBondContact O-N 2.9Å; D115-G118 PolarHBondContact OD1-N 3.11Å; D115-G118 VanDerWaalsContact OD2-C 3.28Å; D115-G118 WeakPolarHBondContact OD2-CA 3.44Å; G118-G120 PolarHBondContact O-N 3.15Å
119	K	88.5	Confident	89.1	Confident	155 Å²	155	72 Å²	72	67%	0.674	38%	0.383	S	S	*	.			trans	-68.7	-21.2	176.6	-67.2	172.2	-175.8	170.2	0	113	D115 S117 V121	D115-K119 VanDerWaalsContact CG-N 3.34Å; D115-K119 PolarHBondContact OD1-N 3.48Å; D115-K119 WeakPolarHBondContact OD2-CA 3.31Å; D115-K119 PolarHBondContact OD2-N 2.96Å; S117-K119 VanDerWaalsContact C-N 3.26Å; S117-K119 PolarHBondContact O-N 2.8Å; S117-K119 WeakPolarHBondContact OG-CD 3.18Å; S117-K119 VanDerWaalsContact OG-CE 3.24Å; S117-K119 WeakPolarHBondContact OG-CE 3.44Å; S117-K119 WeakPolarHBondContact OG-CG 3.26Å; K119-V121 VanDerWaalsContact C-N 3.33Å; K119-V121 HydrophobicContact CB-CG2 3.98Å
120	G	89.9	Confident	89.1	Confident	8 Å²	8	72.6 Å²	72.6	8%	0.082	38%	0.382	C	S	.	.	S	Bend	trans	82.6	10	-174.7	0	0	0	0	0	113.8	D115 G118 Y160	D115-G120 PolarHBondContact OD2-N 3.14Å; G118-G120 PolarHBondContact O-N 3.15Å; G120-Y160 VanDerWaalsContact C-CD1 3.48Å; G120-Y160 VanDerWaalsContact CA-CE1 3.42Å; G120-Y160 WeakPolarHBondContact O-CD1 3.24Å; G120-Y160 WeakPolarHBondContact O-CE1 3.26Å
121	V	91.6	Very high	89.1	Confident	42 Å²	42	71.5 Å²	71.5	26%	0.255	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	151.2	-177.9	-59.6	0	0	0	0	112.2	K119 N157 I158 Y160	K119-V121 VanDerWaalsContact C-N 3.33Å; K119-V121 HydrophobicContact CB-CG2 3.98Å; V121-N157 HydrophobicContact CB-CB 3.94Å; V121-N157 HydrophobicContact CG2-CB 4.07Å; V121-I158 CarbonylContact C-O 3.55Å; V121-I158 WeakPolarHBondContact CA-O 3.44Å; V121-I158 WeakPolarHBondContact CB-O 3.42Å; V121-Y160 VanDerWaalsContact N-CE1 3.35Å
122	V	91.3	Very high	89.1	Confident	11 Å²	11	72.6 Å²	72.6	7%	0.067	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.6	172.3	-67.1	0	0	0	0	110.8	F111 F114 K124 F127 N157 I158 Y160	F111-V122 HydrophobicContact CD1-CG1 4.48Å; F114-V122 HydrophobicContact CB-CG1 4.05Å; V122-K124 PolarHBondContact O-N 2.82Å; V122-F127 HydrophobicContact CG2-CB 4.47Å; V122-F127 HydrophobicContact CG2-CG 4.46Å; V122-N157 CarbonylContact O-C 3.53Å; V122-N157 WeakPolarHBondContact O-CA 3.39Å; V122-I158 HydrophobicContact CG2-CB 4Å; V122-I158 HydrophobicContact CG2-CG2 4.33Å; V122-I158 PolarHBondContact N-O 3.04Å; V122-I158 PolarHBondContact O-N 3.35Å; V122-Y160 HydrophobicContact CG1-CD1 3.94Å; V122-Y160 HydrophobicContact CG1-CE1 4.48Å
123	N	90.3	Very high	89.1	Confident	54 Å²	54	68.8 Å²	68.8	29%	0.289	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.9	177.7	-175.9	-88.6	0	0	0	110.5	E125 E126 F127	N123-E125 PolarHBondContact O-N 3.22Å; N123-E125 PolarHBondContact OD1-N 2.95Å; N123-E126 HydrophobicContact CB-CB 4.17Å; N123-E126 HydrophobicContact CB-CG 4.08Å; N123-E126 PolarHBondContact O-N 3.31Å; N123-E126 PolarHBondContact OD1-N 2.8Å; N123-F127 WeakPolarHBondContact O-CB 3.09Å; N123-F127 PolarHBondContact O-N 2.91Å
124	K	89.4	Confident	89.1	Confident	50 Å²	50	66.8 Å²	66.8	22%	0.217	36%	0.357	C	S	.	.	H	α-helix	trans	-57.4	-46.1	-178.7	177.6	-169.2	-174.3	171	0	112.8	V122 F127 K128 F147 M152 G156 I158	V122-K124 PolarHBondContact O-N 2.82Å; K124-F127 PolarHBondContact O-N 2.84Å; K124-K128 WeakPolarHBondContact O-CB 2.96Å; K124-K128 PolarHBondContact O-N 2.86Å; K124-F147 HydrophobicContact CD-CD2 4.38Å; K124-F147 HydrophobicContact CG-CD1 4.46Å; K124-F147 HydrophobicContact CG-CD2 4.1Å; K124-F147 HydrophobicContact CG-CE1 4.35Å; K124-F147 HydrophobicContact CG-CE2 3.93Å; K124-F147 HydrophobicContact CG-CG 4.35Å; K124-F147 HydrophobicContact CG-CZ 4.07Å; K124-M152 HydrophobicContact CD-SD 3.68Å; K124-M152 HydrophobicContact CG-SD 4.41Å; K124-G156 WeakPolarHBondContact CB-O 3.32Å; K124-G156 PolarHBondContact N-O 2.99Å; K124-G156 VanDerWaalsContact N-O 3.15Å; K124-I158 HydrophobicContact CB-CD1 3.91Å; K124-I158 HydrophobicContact CB-CG1 4.23Å; K124-I158 HydrophobicContact CG-CD1 4.14Å
125	E	89.5	Confident	89.2	Confident	96 Å²	96	65.8 Å²	65.8	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-70.2	-40.8	-173.1	-168.4	58.1	-143.4	0	0	110.5	N123 K128 Q129	N123-E125 PolarHBondContact O-N 3.22Å; N123-E125 PolarHBondContact OD1-N 2.95Å; E125-K128 WeakPolarHBondContact O-CB 3.42Å; E125-K128 PolarHBondContact O-N 2.93Å; E125-Q129 VanDerWaalsContact O-CG 3.3Å; E125-Q129 WeakPolarHBondContact O-CG 3.35Å; E125-Q129 PolarHBondContact O-N 3.25Å; E125-Q129 PolarHBondContact OE1-NE2 3.19Å; E125-Q129 VanDerWaalsContact OE1-NE2 3.13Å
126	E	88.4	Confident	89.1	Confident	140 Å²	140	72.6 Å²	72.6	65%	0.654	41%	0.407	S	S	*	.	H	α-helix	trans	-61.4	-46.1	173.8	-65.4	179.9	178.5	0	0	111.5	N123 Q129 L130	N123-E126 HydrophobicContact CB-CB 4.17Å; N123-E126 HydrophobicContact CB-CG 4.08Å; N123-E126 PolarHBondContact O-N 3.31Å; N123-E126 PolarHBondContact OD1-N 2.8Å; E126-Q129 PolarHBondContact O-N 2.88Å; E126-L130 WeakPolarHBondContact O-CG 3.18Å; E126-L130 PolarHBondContact O-N 3.03Å; E126-L130 VanDerWaalsContact O-N 3.1Å
127	F	88.8	Confident	89.2	Confident	23 Å²	23	73.5 Å²	73.5	10%	0.101	40%	0.398	C	S	.	.	H	α-helix	trans	-66.2	-39.3	178.6	-170.6	-127.4	0	0	0	112.3	F111 V122 N123 K124 Q129 L130 L131 M146 F147 I158 L163	F111-F127 HydrophobicContact CE1-CD2 4.42Å; F111-F127 HydrophobicContact CE1-CE1 4.07Å; F111-F127 AromaticContact CE1-CE2 3.66Å; F111-F127 HydrophobicContact CE1-CE2 3.66Å; F111-F127 AromaticContact CE1-CZ 3.47Å; F111-F127 HydrophobicContact CE1-CZ 3.47Å; F111-F127 VanDerWaalsContact CE1-CZ 3.47Å; F111-F127 HydrophobicContact CZ-CE1 4.34Å; F111-F127 HydrophobicContact CZ-CE2 4.29Å; F111-F127 AromaticContact CZ-CZ 3.72Å; F111-F127 HydrophobicContact CZ-CZ 3.72Å; V122-F127 HydrophobicContact CG2-CB 4.47Å; V122-F127 HydrophobicContact CG2-CG 4.46Å; N123-F127 WeakPolarHBondContact O-CB 3.09Å; N123-F127 PolarHBondContact O-N 2.91Å; K124-F127 PolarHBondContact O-N 2.84Å; F127-Q129 PolarHBondContact O-N 3.11Å; F127-L130 WeakPolarHBondContact O-CB 3.45Å; F127-L130 PolarHBondContact O-N 2.81Å; F127-L131 HydrophobicContact CD1-CD1 4.05Å; F127-L131 HydrophobicContact CE1-CD1 3.74Å; F127-L131 HydrophobicContact CE1-CG 4.48Å; F127-L131 HydrophobicContact CE2-CD1 4.46Å; F127-L131 HydrophobicContact CE2-CD2 4.39Å; F127-L131 HydrophobicContact CE2-CG 4.36Å; F127-L131 HydrophobicContact CZ-CD1 3.94Å; F127-L131 HydrophobicContact CZ-CD2 4.22Å; F127-L131 HydrophobicContact CZ-CG 4.26Å; F127-L131 WeakPolarHBondContact O-CG 3.15Å; F127-L131 PolarHBondContact O-N 3.14Å; F127-M146 HydrophobicContact CD1-CE 4.23Å; F127-M146 HydrophobicContact CE1-CE 3.69Å; F127-M146 HydrophobicContact CE1-SD 4.48Å; F127-F147 AromaticContact CD1-CE1 3.8Å; F127-F147 HydrophobicContact CD1-CE1 3.8Å; F127-F147 AromaticContact CD1-CZ 3.97Å; F127-F147 HydrophobicContact CD1-CZ 3.97Å; F127-F147 HydrophobicContact CE1-CE1 4.3Å; F127-I158 HydrophobicContact CD1-CD1 4.1Å; F127-L163 HydrophobicContact CE1-CD2 4.1Å
128	K	90.6	Very high	89.3	Confident	39 Å²	39	74.5 Å²	74.5	17%	0.17	39%	0.393	C	S	.	.	H	α-helix	trans	-57.2	-48.2	172.4	179.7	169.6	-179.9	173.4	0	111.6	K124 E125 L130 L131 L132 V143 E144 F147	K124-K128 WeakPolarHBondContact O-CB 2.96Å; K124-K128 PolarHBondContact O-N 2.86Å; E125-K128 WeakPolarHBondContact O-CB 3.42Å; E125-K128 PolarHBondContact O-N 2.93Å; K128-L130 VanDerWaalsContact C-N 3.28Å; K128-L130 PolarHBondContact O-N 3.31Å; K128-L131 PolarHBondContact O-N 3.36Å; K128-L132 HydrophobicContact CG-CD1 3.9Å; K128-L132 VanDerWaalsContact O-CG 3.31Å; K128-L132 WeakPolarHBondContact O-CG 3.32Å; K128-L132 PolarHBondContact O-N 3.11Å; K128-L132 VanDerWaalsContact O-N 3.1Å; K128-V143 HydrophobicContact CB-CG1 4.38Å; K128-V143 HydrophobicContact CG-CG1 3.92Å; K128-E144 IonicContact NZ-OE1 2.69Å; K128-E144 PolarHBondContact NZ-OE1 2.79Å; K128-F147 HydrophobicContact CB-CE2 3.78Å; K128-F147 HydrophobicContact CB-CZ 4.13Å; K128-F147 HydrophobicContact CD-CE2 4.32Å; K128-F147 HydrophobicContact CG-CE2 4.18Å
129	Q	90.9	Very high	89.6	Confident	92 Å²	92	73.8 Å²	73.8	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-61.2	-39.6	178.5	-69.4	-59.5	-42	0	0	111.3	E125 E126 F127 L132 T133	E125-Q129 VanDerWaalsContact O-CG 3.3Å; E125-Q129 WeakPolarHBondContact O-CG 3.35Å; E125-Q129 PolarHBondContact O-N 3.25Å; E125-Q129 PolarHBondContact OE1-NE2 3.19Å; E125-Q129 VanDerWaalsContact OE1-NE2 3.13Å; E126-Q129 PolarHBondContact O-N 2.88Å; F127-Q129 PolarHBondContact O-N 3.11Å; Q129-L132 PolarHBondContact O-N 3.05Å; Q129-T133 WeakPolarHBondContact O-CB 3.39Å; Q129-T133 VanDerWaalsContact O-CG2 3.29Å; Q129-T133 WeakPolarHBondContact O-CG2 3.36Å; Q129-T133 PolarHBondContact O-N 3.21Å; Q129-T133 VanDerWaalsContact O-N 3.09Å; Q129-T133 PolarHBondContact O-OG1 2.76Å
130	L	89.6	Confident	89.7	Confident	60 Å²	60	70.7 Å²	70.7	31%	0.314	38%	0.375	S	S	.	.	H	α-helix	trans	-61.4	-49.4	176.4	-69.1	170.7	0	0	0	111.7	F114 E126 F127 K128 L132 T133 Q134	F114-L130 HydrophobicContact CD1-CD1 3.83Å; F114-L130 HydrophobicContact CE1-CD1 3.43Å; F114-L130 VanDerWaalsContact CE1-CD1 3.43Å; F114-L130 HydrophobicContact CZ-CD1 4.12Å; E126-L130 WeakPolarHBondContact O-CG 3.18Å; E126-L130 PolarHBondContact O-N 3.03Å; E126-L130 VanDerWaalsContact O-N 3.1Å; F127-L130 WeakPolarHBondContact O-CB 3.45Å; F127-L130 PolarHBondContact O-N 2.81Å; K128-L130 VanDerWaalsContact C-N 3.28Å; K128-L130 PolarHBondContact O-N 3.31Å; L130-L132 VanDerWaalsContact C-N 3.27Å; L130-L132 PolarHBondContact O-N 2.73Å; L130-T133 PolarHBondContact O-N 3.13Å; L130-Q134 HydrophobicContact CD2-CG 3.79Å; L130-Q134 WeakPolarHBondContact O-CB 3.42Å; L130-Q134 PolarHBondContact O-N 3.44Å
131	L	89.7	Confident	89.8	Confident	28 Å²	28	73.2 Å²	73.2	15%	0.147	40%	0.395	C	S	.	.	H	α-helix	trans	-64.1	-29.3	-179.2	-66.5	172.9	0	0	0	113.7	F127 K128 F138 V143 M146	F127-L131 HydrophobicContact CD1-CD1 4.05Å; F127-L131 HydrophobicContact CE1-CD1 3.74Å; F127-L131 HydrophobicContact CE1-CG 4.48Å; F127-L131 HydrophobicContact CE2-CD1 4.46Å; F127-L131 HydrophobicContact CE2-CD2 4.39Å; F127-L131 HydrophobicContact CE2-CG 4.36Å; F127-L131 HydrophobicContact CZ-CD1 3.94Å; F127-L131 HydrophobicContact CZ-CD2 4.22Å; F127-L131 HydrophobicContact CZ-CG 4.26Å; F127-L131 WeakPolarHBondContact O-CG 3.15Å; F127-L131 PolarHBondContact O-N 3.14Å; K128-L131 PolarHBondContact O-N 3.36Å; L131-F138 HydrophobicContact CB-CD2 4.11Å; L131-F138 HydrophobicContact CD2-CD2 3.82Å; L131-F138 HydrophobicContact CD2-CE2 3.8Å; L131-F138 PolarHBondContact O-N 2.68Å; L131-V143 HydrophobicContact CB-CG2 3.94Å; L131-V143 HydrophobicContact CD1-CG1 4.36Å; L131-V143 HydrophobicContact CD1-CG2 4.4Å; L131-M146 HydrophobicContact CD1-CE 3.4Å; L131-M146 HydrophobicContact CD1-SD 4.15Å
132	L	91.8	Very high	89.7	Confident	41 Å²	41	75.7 Å²	75.7	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-85.8	-20.9	178.8	-66.3	176.3	0	0	0	113.6	K128 Q129 L130 K137 F138 P140 V143	K128-L132 HydrophobicContact CG-CD1 3.9Å; K128-L132 VanDerWaalsContact O-CG 3.31Å; K128-L132 WeakPolarHBondContact O-CG 3.32Å; K128-L132 PolarHBondContact O-N 3.11Å; K128-L132 VanDerWaalsContact O-N 3.1Å; Q129-L132 PolarHBondContact O-N 3.05Å; L130-L132 VanDerWaalsContact C-N 3.27Å; L130-L132 PolarHBondContact O-N 2.73Å; L132-K137 WeakPolarHBondContact O-CD 3.47Å; L132-F138 WeakPolarHBondContact CD2-O 3.24Å; L132-P140 HydrophobicContact CD2-CG 4.23Å; L132-V143 HydrophobicContact CD2-CG2 3.82Å; L132-V143 HydrophobicContact CG-CG2 4.3Å
133	T	89.2	Confident	89.6	Confident	64 Å²	64	75.2 Å²	75.2	39%	0.393	40%	0.401	S	S	.	.	H	α-helix	trans	-120.1	-28.2	-168	66.2	0	0	0	0	114.9	Q129 L130 K137	Q129-T133 WeakPolarHBondContact O-CB 3.39Å; Q129-T133 VanDerWaalsContact O-CG2 3.29Å; Q129-T133 WeakPolarHBondContact O-CG2 3.36Å; Q129-T133 PolarHBondContact O-N 3.21Å; Q129-T133 VanDerWaalsContact O-N 3.09Å; Q129-T133 PolarHBondContact O-OG1 2.76Å; L130-T133 PolarHBondContact O-N 3.13Å; T133-K137 VanDerWaalsContact O-CE 3.32Å; T133-K137 WeakPolarHBondContact O-CE 3.25Å
134	Q	85.8	Confident	89.5	Confident	114 Å²	114	76.8 Å²	76.8	53%	0.533	41%	0.406	S	S	.	.	S	Bend	trans	-104	148.6	-173.1	-55.8	-57.9	-39.6	0	0	111.7	L130	L130-Q134 HydrophobicContact CD2-CG 3.79Å; L130-Q134 WeakPolarHBondContact O-CB 3.42Å; L130-Q134 PolarHBondContact O-N 3.44Å
135	A	86.3	Confident	89.4	Confident	97 Å²	97	80.7 Å²	80.7	80%	0.802	43%	0.425	S	S	*	.	S	Bend	trans	49.7	-136.4	176.7	0	0	0	0	0	113.2	K137	A135-K137 PolarHBondContact O-N 2.96Å
136	D	86.4	Confident	89.3	Confident	152 Å²	152	78.3 Å²	78.3	81%	0.813	42%	0.415	S	S	*	.	S	Bend	trans	-75.1	112	171.7	-67	-34.8	0	0	0	108.9
137	K	89.4	Confident	89.1	Confident	141 Å²	141	71.8 Å²	71.8	61%	0.613	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-81.7	131.8	-169.7	-59.8	173.1	-176.3	-175.8	0	110.3	L132 T133 A135	L132-K137 WeakPolarHBondContact O-CD 3.47Å; T133-K137 VanDerWaalsContact O-CE 3.32Å; T133-K137 WeakPolarHBondContact O-CE 3.25Å; A135-K137 PolarHBondContact O-N 2.96Å
138	F	90.4	Very high	89	Confident	97 Å²	97	74.4 Å²	74.4	43%	0.425	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-75.7	149.7	166.3	-68.7	-98.1	0	0	0	109.9	L131 L132 E142 V143	L131-F138 HydrophobicContact CB-CD2 4.11Å; L131-F138 HydrophobicContact CD2-CD2 3.82Å; L131-F138 HydrophobicContact CD2-CE2 3.8Å; L131-F138 PolarHBondContact O-N 2.68Å; L132-F138 WeakPolarHBondContact CD2-O 3.24Å; F138-E142 HydrophobicContact CB-CB 4.38Å; F138-E142 HydrophobicContact CD1-CB 4.12Å; F138-V143 HydrophobicContact CB-CG2 3.49Å; F138-V143 VanDerWaalsContact CB-CG2 3.49Å; F138-V143 HydrophobicContact CG-CG2 4.38Å
139	S	93.5	Very high	88.5	Confident	46 Å²	46	76.5 Å²	76.5	32%	0.322	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-71.1	153.8	167.5	69.4	0	0	0	0	110.4	A141 E142 V143	S139-A141 PolarHBondContact O-N 3.4Å; S139-A141 VanDerWaalsContact O-N 3.14Å; S139-E142 WeakPolarHBondContact CA-OE2 3.48Å; S139-E142 VanDerWaalsContact CB-OE2 3.25Å; S139-E142 WeakPolarHBondContact CB-OE2 3.36Å; S139-E142 PolarHBondContact N-OE2 3.01Å; S139-E142 PolarHBondContact O-N 3.22Å; S139-E142 VanDerWaalsContact O-N 3.13Å; S139-E142 VanDerWaalsContact OG-CG 3.26Å; S139-E142 WeakPolarHBondContact OG-CG 3.39Å; S139-E142 PolarHBondContact OG-N 3.46Å; S139-E142 PolarHBondContact OG-OE2 3.39Å; S139-V143 PolarHBondContact O-N 3.38Å; S139-V143 VanDerWaalsContact O-N 3.14Å
140	P	90.8	Very high	88.1	Confident	90 Å²	90	72.5 Å²	72.5	58%	0.584	40%	0.404	S	S	*	.	H	α-helix	trans	-54.7	-33.7	175	-27.1	35.3	0	0	0	113.4	L132 E144	L132-P140 HydrophobicContact CD2-CG 4.23Å; P140-E144 VanDerWaalsContact O-CG 3.31Å; P140-E144 WeakPolarHBondContact O-CG 3.48Å; P140-E144 PolarHBondContact O-N 3.44Å; P140-E144 VanDerWaalsContact O-N 3.11Å
141	A	91.4	Very high	87.6	Confident	61 Å²	61	73 Å²	73	50%	0.504	41%	0.411	S	S	.	.	H	α-helix	trans	-67.7	-44.5	178.3	0	0	0	0	0	112.1	S139 V143 E144 Q145	S139-A141 PolarHBondContact O-N 3.4Å; S139-A141 VanDerWaalsContact O-N 3.14Å; A141-V143 VanDerWaalsContact C-N 3.34Å; A141-V143 PolarHBondContact O-N 3.1Å; A141-E144 PolarHBondContact O-N 2.99Å; A141-Q145 WeakPolarHBondContact O-CB 3.37Å; A141-Q145 VanDerWaalsContact O-CG 3.29Å; A141-Q145 WeakPolarHBondContact O-CG 3.34Å; A141-Q145 PolarHBondContact O-N 3.32Å
142	E	89.5	Confident	87.4	Confident	93 Å²	93	75.7 Å²	75.7	44%	0.435	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-40.8	177.8	-71.9	159.8	145.1	0	0	111.5	F138 S139 Q145 M146	F138-E142 HydrophobicContact CB-CB 4.38Å; F138-E142 HydrophobicContact CD1-CB 4.12Å; S139-E142 WeakPolarHBondContact CA-OE2 3.48Å; S139-E142 VanDerWaalsContact CB-OE2 3.25Å; S139-E142 WeakPolarHBondContact CB-OE2 3.36Å; S139-E142 PolarHBondContact N-OE2 3.01Å; S139-E142 PolarHBondContact O-N 3.22Å; S139-E142 VanDerWaalsContact O-N 3.13Å; S139-E142 VanDerWaalsContact OG-CG 3.26Å; S139-E142 WeakPolarHBondContact OG-CG 3.39Å; S139-E142 PolarHBondContact OG-N 3.46Å; S139-E142 PolarHBondContact OG-OE2 3.39Å; E142-Q145 PolarHBondContact O-N 3.4Å; E142-M146 PolarHBondContact O-N 3.32Å
143	V	89.8	Confident	87.1	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.006	43%	0.432	C	S	.	.	H	α-helix	trans	-66.5	-41.9	178.7	179.2	0	0	0	0	111.7	K128 L131 L132 F138 S139 A141 M146 F147	K128-V143 HydrophobicContact CB-CG1 4.38Å; K128-V143 HydrophobicContact CG-CG1 3.92Å; L131-V143 HydrophobicContact CB-CG2 3.94Å; L131-V143 HydrophobicContact CD1-CG1 4.36Å; L131-V143 HydrophobicContact CD1-CG2 4.4Å; L132-V143 HydrophobicContact CD2-CG2 3.82Å; L132-V143 HydrophobicContact CG-CG2 4.3Å; F138-V143 HydrophobicContact CB-CG2 3.49Å; F138-V143 VanDerWaalsContact CB-CG2 3.49Å; F138-V143 HydrophobicContact CG-CG2 4.38Å; S139-V143 PolarHBondContact O-N 3.38Å; S139-V143 VanDerWaalsContact O-N 3.14Å; A141-V143 VanDerWaalsContact C-N 3.34Å; A141-V143 PolarHBondContact O-N 3.1Å; V143-M146 PolarHBondContact O-N 3.11Å; V143-F147 HydrophobicContact CG1-CD2 3.76Å; V143-F147 HydrophobicContact CG1-CE2 3.21Å; V143-F147 HydrophobicContact CG1-CZ 3.86Å; V143-F147 WeakPolarHBondContact O-CD2 3.25Å; V143-F147 WeakPolarHBondContact O-CG 3.31Å; V143-F147 PolarHBondContact O-N 2.76Å; V143-F147 VanDerWaalsContact O-N 3.12Å
144	E	88.8	Confident	86.8	Confident	88 Å²	88	83.3 Å²	83.3	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-65.6	-38.8	175.1	-69.8	-65.1	156.7	0	0	111.8	K128 P140 A141 F147 A148	K128-E144 IonicContact NZ-OE1 2.69Å; K128-E144 PolarHBondContact NZ-OE1 2.79Å; P140-E144 VanDerWaalsContact O-CG 3.31Å; P140-E144 WeakPolarHBondContact O-CG 3.48Å; P140-E144 PolarHBondContact O-N 3.44Å; P140-E144 VanDerWaalsContact O-N 3.11Å; A141-E144 PolarHBondContact O-N 2.99Å; E144-F147 PolarHBondContact O-N 2.91Å; E144-A148 WeakPolarHBondContact O-CB 3.5Å; E144-A148 PolarHBondContact O-N 2.75Å
145	Q	87.4	Confident	86.8	Confident	131 Å²	131	81.4 Å²	81.4	61%	0.612	47%	0.465	S	S	*	.	H	α-helix	trans	-61.8	-45.4	174.9	-76.7	174.5	-14.3	0	0	111.8	A141 E142 F147 A148	A141-Q145 WeakPolarHBondContact O-CB 3.37Å; A141-Q145 VanDerWaalsContact O-CG 3.29Å; A141-Q145 WeakPolarHBondContact O-CG 3.34Å; A141-Q145 PolarHBondContact O-N 3.32Å; E142-Q145 PolarHBondContact O-N 3.4Å; Q145-F147 VanDerWaalsContact C-N 3.33Å; Q145-F147 PolarHBondContact O-N 2.85Å; Q145-A148 WeakPolarHBondContact O-CB 3.3Å; Q145-A148 PolarHBondContact O-N 3.3Å
146	M	86.5	Confident	86.8	Confident	47 Å²	47	78 Å²	78	23%	0.232	44%	0.44	C	S	.	.	H	α-helix	trans	-58.4	-46	176.8	-173	-169.7	68.9	0	0	111.1	F127 L131 E142 V143 A148 L149 T150 L163	F127-M146 HydrophobicContact CD1-CE 4.23Å; F127-M146 HydrophobicContact CE1-CE 3.69Å; F127-M146 HydrophobicContact CE1-SD 4.48Å; L131-M146 HydrophobicContact CD1-CE 3.4Å; L131-M146 HydrophobicContact CD1-SD 4.15Å; E142-M146 PolarHBondContact O-N 3.32Å; V143-M146 PolarHBondContact O-N 3.11Å; M146-A148 VanDerWaalsContact C-N 3.33Å; M146-A148 PolarHBondContact O-N 3.22Å; M146-L149 PolarHBondContact O-N 3.01Å; M146-T150 PolarHBondContact O-N 3.42Å; M146-T150 PolarHBondContact O-OG1 2.91Å; M146-L163 HydrophobicContact CG-CD1 4.29Å
147	F	85.4	Confident	87	Confident	3 Å²	3	72.5 Å²	72.5	1%	0.013	41%	0.411	C	S	.	.	H	α-helix	trans	-71.8	-22.5	179.1	-64.2	-38.4	0	0	0	114.6	K124 F127 K128 V143 E144 Q145 L149 T150 I158	K124-F147 HydrophobicContact CD-CD2 4.38Å; K124-F147 HydrophobicContact CG-CD1 4.46Å; K124-F147 HydrophobicContact CG-CD2 4.1Å; K124-F147 HydrophobicContact CG-CE1 4.35Å; K124-F147 HydrophobicContact CG-CE2 3.93Å; K124-F147 HydrophobicContact CG-CG 4.35Å; K124-F147 HydrophobicContact CG-CZ 4.07Å; F127-F147 AromaticContact CD1-CE1 3.8Å; F127-F147 HydrophobicContact CD1-CE1 3.8Å; F127-F147 AromaticContact CD1-CZ 3.97Å; F127-F147 HydrophobicContact CD1-CZ 3.97Å; F127-F147 HydrophobicContact CE1-CE1 4.3Å; K128-F147 HydrophobicContact CB-CE2 3.78Å; K128-F147 HydrophobicContact CB-CZ 4.13Å; K128-F147 HydrophobicContact CD-CE2 4.32Å; K128-F147 HydrophobicContact CG-CE2 4.18Å; V143-F147 HydrophobicContact CG1-CD2 3.76Å; V143-F147 HydrophobicContact CG1-CE2 3.21Å; V143-F147 HydrophobicContact CG1-CZ 3.86Å; V143-F147 WeakPolarHBondContact O-CD2 3.25Å; V143-F147 WeakPolarHBondContact O-CG 3.31Å; V143-F147 PolarHBondContact O-N 2.76Å; V143-F147 VanDerWaalsContact O-N 3.12Å; E144-F147 PolarHBondContact O-N 2.91Å; Q145-F147 VanDerWaalsContact C-N 3.33Å; Q145-F147 PolarHBondContact O-N 2.85Å; F147-L149 VanDerWaalsContact C-N 3.25Å; F147-L149 PolarHBondContact O-N 2.67Å; F147-T150 PolarHBondContact O-N 2.7Å; F147-I158 HydrophobicContact CD1-CD1 3.61Å; F147-I158 HydrophobicContact CD1-CG1 4.48Å; F147-I158 HydrophobicContact CE1-CD1 3.2Å; F147-I158 HydrophobicContact CE1-CG1 4.46Å; F147-I158 HydrophobicContact CZ-CD1 4.04Å
148	A	85.3	Confident	87.1	Confident	77 Å²	77	65.8 Å²	65.8	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-66.8	-29.9	174.8	0	0	0	0	0	112.4	E144 Q145 M146	E144-A148 WeakPolarHBondContact O-CB 3.5Å; E144-A148 PolarHBondContact O-N 2.75Å; Q145-A148 WeakPolarHBondContact O-CB 3.3Å; Q145-A148 PolarHBondContact O-N 3.3Å; M146-A148 VanDerWaalsContact C-N 3.33Å; M146-A148 PolarHBondContact O-N 3.22Å
149	L	80.4	Confident	87.1	Confident	84 Å²	84	64 Å²	64	44%	0.44	38%	0.376	S	S	.	.	H	α-helix	trans	-89.1	-17.8	178.3	-56.9	176.9	0	0	0	112.5	M146 F147 I166	M146-L149 PolarHBondContact O-N 3.01Å; F147-L149 VanDerWaalsContact C-N 3.25Å; F147-L149 PolarHBondContact O-N 2.67Å; L149-I166 WeakPolarHBondContact O-CD1 3.48Å
150	T	82.9	Confident	87	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.043	36%	0.362	C	S	.	.	S	Bend	trans	-89.7	125.6	-172.9	-50.8	0	0	0	0	111.7	M146 F147 M152 I158 L163	M146-T150 PolarHBondContact O-N 3.42Å; M146-T150 PolarHBondContact O-OG1 2.91Å; F147-T150 PolarHBondContact O-N 2.7Å; T150-M152 PolarHBondContact O-N 3.11Å; T150-I158 HydrophobicContact CG2-CB 4.46Å; T150-I158 HydrophobicContact CG2-CG1 4.47Å; T150-I158 HydrophobicContact CG2-CG2 3.47Å; T150-I158 VanDerWaalsContact CG2-CG2 3.47Å; T150-L163 HydrophobicContact CG2-CB 3.97Å; T150-L163 HydrophobicContact CG2-CD1 4.27Å; T150-L163 HydrophobicContact CG2-CG 4.49Å; T150-L163 WeakPolarHBondContact OG1-CD1 3.18Å
151	P	79.4	Confident	86.9	Confident	70 Å²	70	63.6 Å²	63.6	46%	0.455	36%	0.359	S	S	.	.			trans	-59.9	133.6	171.7	-21.3	32.5	0	0	0	111.3
152	M	84.6	Confident	86.8	Confident	85 Å²	85	62.7 Å²	62.7	42%	0.419	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-126.7	145.9	178.5	-68.6	176.5	-69.3	0	0	110.8	K124 T150 N157 I158	K124-M152 HydrophobicContact CD-SD 3.68Å; K124-M152 HydrophobicContact CG-SD 4.41Å; T150-M152 PolarHBondContact O-N 3.11Å; M152-N157 WeakPolarHBondContact CA-O 3.37Å; M152-I158 HydrophobicContact CG-CG1 4.04Å
153	D	85.6	Confident	86.7	Confident	72 Å²	72	58.4 Å²	58.4	39%	0.385	33%	0.329	S	S	.	.			trans	-78.6	172.3	172.5	75.6	13.2	0	0	0	112.1	A155 G156 N157	D153-A155 PolarHBondContact O-N 3.31Å; D153-A155 VanDerWaalsContact O-N 3.16Å; D153-A155 VanDerWaalsContact OD1-C 3.25Å; D153-A155 VanDerWaalsContact OD1-CA 3.26Å; D153-A155 WeakPolarHBondContact OD1-CA 3.24Å; D153-A155 WeakPolarHBondContact OD1-CB 3.47Å; D153-A155 PolarHBondContact OD1-N 3.11Å; D153-G156 PolarHBondContact O-N 3.39Å; D153-G156 PolarHBondContact OD1-N 3.15Å; D153-N157 PolarHBondContact N-O 3.05Å; D153-N157 PolarHBondContact OD1-N 3.34Å; D153-N157 PolarHBondContact OD1-ND2 3.42Å; D153-N157 WeakPolarHBondContact OD2-CB 3.43Å; D153-N157 PolarHBondContact OD2-ND2 3.25Å
154	L	84	Confident	86.7	Confident	194 Å²	194	58.4 Å²	58.4	100%	1.016	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.7	178.2	-65.8	173.6	0	0	0	113.6
155	A	85.1	Confident	86.6	Confident	73 Å²	73	58.4 Å²	58.4	60%	0.603	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.4	177.4	0	0	0	0	0	112.4	D153	D153-A155 PolarHBondContact O-N 3.31Å; D153-A155 VanDerWaalsContact O-N 3.16Å; D153-A155 VanDerWaalsContact OD1-C 3.25Å; D153-A155 VanDerWaalsContact OD1-CA 3.26Å; D153-A155 WeakPolarHBondContact OD1-CA 3.24Å; D153-A155 WeakPolarHBondContact OD1-CB 3.47Å; D153-A155 PolarHBondContact OD1-N 3.11Å
156	G	86.4	Confident	86.6	Confident	27 Å²	27	53.5 Å²	53.5	28%	0.278	30%	0.304	S	S	.	.	S	Bend	trans	76.3	23.8	-178.4	0	0	0	0	0	113.6	K124 D153	K124-G156 WeakPolarHBondContact CB-O 3.32Å; K124-G156 PolarHBondContact N-O 2.99Å; K124-G156 VanDerWaalsContact N-O 3.15Å; D153-G156 PolarHBondContact O-N 3.39Å; D153-G156 PolarHBondContact OD1-N 3.15Å
157	N	90.6	Very high	86.5	Confident	36 Å²	36	55 Å²	55	19%	0.193	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	147.5	170.5	-47.9	-60.8	0	0	0	110.7	V121 V122 M152 D153	V121-N157 HydrophobicContact CB-CB 3.94Å; V121-N157 HydrophobicContact CG2-CB 4.07Å; V122-N157 CarbonylContact O-C 3.53Å; V122-N157 WeakPolarHBondContact O-CA 3.39Å; M152-N157 WeakPolarHBondContact CA-O 3.37Å; D153-N157 PolarHBondContact N-O 3.05Å; D153-N157 PolarHBondContact OD1-N 3.34Å; D153-N157 PolarHBondContact OD1-ND2 3.42Å; D153-N157 WeakPolarHBondContact OD2-CB 3.43Å; D153-N157 PolarHBondContact OD2-ND2 3.25Å
158	I	90.4	Very high	86.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128	179.7	-67.6	160.4	0	0	0	108.5	V121 V122 K124 F127 F147 T150 M152 Y160 L163	V121-I158 CarbonylContact C-O 3.55Å; V121-I158 WeakPolarHBondContact CA-O 3.44Å; V121-I158 WeakPolarHBondContact CB-O 3.42Å; V122-I158 HydrophobicContact CG2-CB 4Å; V122-I158 HydrophobicContact CG2-CG2 4.33Å; V122-I158 PolarHBondContact N-O 3.04Å; V122-I158 PolarHBondContact O-N 3.35Å; K124-I158 HydrophobicContact CB-CD1 3.91Å; K124-I158 HydrophobicContact CB-CG1 4.23Å; K124-I158 HydrophobicContact CG-CD1 4.14Å; F127-I158 HydrophobicContact CD1-CD1 4.1Å; F147-I158 HydrophobicContact CD1-CD1 3.61Å; F147-I158 HydrophobicContact CD1-CG1 4.48Å; F147-I158 HydrophobicContact CE1-CD1 3.2Å; F147-I158 HydrophobicContact CE1-CG1 4.46Å; F147-I158 HydrophobicContact CZ-CD1 4.04Å; T150-I158 HydrophobicContact CG2-CB 4.46Å; T150-I158 HydrophobicContact CG2-CG1 4.47Å; T150-I158 HydrophobicContact CG2-CG2 3.47Å; T150-I158 VanDerWaalsContact CG2-CG2 3.47Å; M152-I158 HydrophobicContact CG-CG1 4.04Å; I158-Y160 PolarHBondContact O-N 2.72Å; I158-L163 HydrophobicContact CG2-CB 4.39Å; I158-L163 HydrophobicContact CG2-CD2 4.22Å
159	D	91.3	Very high	86	Confident	58 Å²	58	58.3 Å²	58.3	31%	0.31	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	104.2	164.1	-172.9	-27.6	0	0	0	108.7	K161 S162 L163	D159-K161 PolarHBondContact O-N 2.94Å; D159-K161 WeakPolarHBondContact OD1-CA 3.33Å; D159-K161 VanDerWaalsContact OD1-CB 3.26Å; D159-K161 WeakPolarHBondContact OD1-CB 3.39Å; D159-K161 PolarHBondContact OD1-N 2.65Å; D159-S162 PolarHBondContact O-N 3.1Å; D159-S162 PolarHBondContact OD1-N 3.09Å; D159-L163 PolarHBondContact O-N 3.21Å
160	Y	90.4	Very high	85.7	Confident	8 Å²	8	55.9 Å²	55.9	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-74.3	-13.9	-177.4	63.7	-104.2	0	0	0	112.8	L108 F111 D115 G120 V121 V122 I158 C164	L108-Y160 HydrophobicContact CD2-CD2 3.98Å; L108-Y160 HydrophobicContact CD2-CE2 4.18Å; F111-Y160 HydrophobicContact CB-CD1 4.27Å; F111-Y160 HydrophobicContact CB-CD2 3.46Å; F111-Y160 VanDerWaalsContact CB-CD2 3.46Å; F111-Y160 HydrophobicContact CB-CE2 3.91Å; F111-Y160 HydrophobicContact CB-CG 3.67Å; F111-Y160 HydrophobicContact CD1-CG 4.16Å; F111-Y160 HydrophobicContact CD2-CD2 4.38Å; F111-Y160 AromaticContact CG-CD2 3.98Å; F111-Y160 HydrophobicContact CG-CD2 3.98Å; F111-Y160 AromaticContact CG-CG 3.9Å; F111-Y160 HydrophobicContact CG-CG 3.9Å; D115-Y160 HydrophobicContact CB-CE1 4.1Å; G120-Y160 VanDerWaalsContact C-CD1 3.48Å; G120-Y160 VanDerWaalsContact CA-CE1 3.42Å; G120-Y160 WeakPolarHBondContact O-CD1 3.24Å; G120-Y160 WeakPolarHBondContact O-CE1 3.26Å; V121-Y160 VanDerWaalsContact N-CE1 3.35Å; V122-Y160 HydrophobicContact CG1-CD1 3.94Å; V122-Y160 HydrophobicContact CG1-CE1 4.48Å; I158-Y160 PolarHBondContact O-N 2.72Å; Y160-C164 WeakPolarHBondContact O-CB 3.42Å; Y160-C164 PolarHBondContact O-N 2.95Å
161	K	89.9	Confident	85.1	Confident	120 Å²	120	58.4 Å²	58.4	52%	0.522	33%	0.325	S	S	.	.	H	α-helix	trans	-73.3	-45	170.5	-60.1	177.3	-179.1	174.3	0	110.2	L108 D159 L163 C164 Y165	L108-K161 HydrophobicContact CD2-CB 4.29Å; L108-K161 HydrophobicContact CD2-CG 3.94Å; D159-K161 PolarHBondContact O-N 2.94Å; D159-K161 WeakPolarHBondContact OD1-CA 3.33Å; D159-K161 VanDerWaalsContact OD1-CB 3.26Å; D159-K161 WeakPolarHBondContact OD1-CB 3.39Å; D159-K161 PolarHBondContact OD1-N 2.65Å; K161-L163 VanDerWaalsContact C-N 3.34Å; K161-C164 WeakPolarHBondContact O-CB 3.42Å; K161-C164 PolarHBondContact O-N 3.05Å; K161-Y165 PolarHBondContact O-N 3.43Å
162	S	88.5	Confident	84	Confident	42 Å²	42	62.3 Å²	62.3	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-44.3	173	-59.7	0	0	0	0	111.4	D159 C164 Y165 I166	D159-S162 PolarHBondContact O-N 3.1Å; D159-S162 PolarHBondContact OD1-N 3.09Å; S162-C164 VanDerWaalsContact C-N 3.34Å; S162-C164 PolarHBondContact O-N 3.32Å; S162-Y165 PolarHBondContact O-N 3.48Å; S162-I166 VanDerWaalsContact O-CG1 3.3Å; S162-I166 WeakPolarHBondContact O-CG1 3.33Å; S162-I166 PolarHBondContact O-N 3.24Å
163	L	88.6	Confident	82.3	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-44.4	174.3	178.4	54.4	0	0	0	111.9	F111 F127 M146 T150 I158 D159 K161 Y165 I166 I167	F111-L163 HydrophobicContact CE1-CD2 4.46Å; F111-L163 HydrophobicContact CZ-CD2 3.87Å; F127-L163 HydrophobicContact CE1-CD2 4.1Å; M146-L163 HydrophobicContact CG-CD1 4.29Å; T150-L163 HydrophobicContact CG2-CB 3.97Å; T150-L163 HydrophobicContact CG2-CD1 4.27Å; T150-L163 HydrophobicContact CG2-CG 4.49Å; T150-L163 WeakPolarHBondContact OG1-CD1 3.18Å; I158-L163 HydrophobicContact CG2-CB 4.39Å; I158-L163 HydrophobicContact CG2-CD2 4.22Å; D159-L163 PolarHBondContact O-N 3.21Å; K161-L163 VanDerWaalsContact C-N 3.34Å; L163-Y165 VanDerWaalsContact C-N 3.31Å; L163-Y165 PolarHBondContact O-N 3.3Å; L163-I166 PolarHBondContact O-N 3.35Å; L163-I167 HydrophobicContact CD1-CD1 3.92Å; L163-I167 HydrophobicContact CD1-CG1 4.15Å; L163-I167 HydrophobicContact CG-CD1 3.86Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 3.36Å
164	C	89.3	Confident	80.1	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-59.8	-43.2	177.6	-168.8	0	0	0	0	111.8	E104 I107 L108 Y160 K161 S162 I167 T168	E104-C164 HydrophobicContact CG-CB 4.45Å; E104-C164 WeakPolarHBondContact CG-SG 3.32Å; I107-C164 VanDerWaalsContact CB-SG 3.56Å; I107-C164 HydrophobicContact CG2-CB 4.24Å; I107-C164 WeakPolarHBondContact CG2-SG 3.38Å; L108-C164 HydrophobicContact CD2-CB 3.72Å; L108-C164 HydrophobicContact CG-CB 4.18Å; Y160-C164 WeakPolarHBondContact O-CB 3.42Å; Y160-C164 PolarHBondContact O-N 2.95Å; K161-C164 WeakPolarHBondContact O-CB 3.42Å; K161-C164 PolarHBondContact O-N 3.05Å; S162-C164 VanDerWaalsContact C-N 3.34Å; S162-C164 PolarHBondContact O-N 3.32Å; C164-I167 PolarHBondContact O-N 3.16Å; C164-T168 PolarHBondContact O-N 2.89Å; C164-T168 VanDerWaalsContact O-N 3.08Å; C164-T168 PolarHBondContact O-OG1 3.04Å
165	Y	86.6	Confident	77.7	Confident	89 Å²	89	73.1 Å²	73.1	35%	0.349	38%	0.377	S	S	.	.	H	α-helix	trans	-61	-45.3	175.6	-175.4	-93.3	0	0	0	111.9	K161 S162 L163 I167 T168 H169 E172	K161-Y165 PolarHBondContact O-N 3.43Å; S162-Y165 PolarHBondContact O-N 3.48Å; L163-Y165 VanDerWaalsContact C-N 3.31Å; L163-Y165 PolarHBondContact O-N 3.3Å; Y165-I167 VanDerWaalsContact C-N 3.3Å; Y165-I167 PolarHBondContact O-N 3.08Å; Y165-T168 PolarHBondContact O-N 2.89Å; Y165-T168 PolarHBondContact O-OG1 3.35Å; Y165-H169 HydrophobicContact CD1-CB 4.38Å; Y165-H169 AromaticContact CD2-CE1 3.88Å; Y165-H169 AromaticContact CD2-ND1 3.47Å; Y165-H169 WeakPolarHBondContact CD2-ND1 3.43Å; Y165-H169 HydrophobicContact CE1-CB 3.99Å; Y165-H169 HydrophobicContact CE2-CB 4.17Å; Y165-H169 AromaticContact CE2-CE1 3.85Å; Y165-H169 AromaticContact CE2-CG 3.69Å; Y165-H169 AromaticContact CE2-ND1 3.53Å; Y165-H169 AromaticContact CZ-CG 3.88Å; Y165-H169 WeakPolarHBondContact O-CB 3.4Å; Y165-H169 PolarHBondContact O-N 3.11Å; Y165-H169 PolarHBondContact O-ND1 2.97Å; Y165-E172 HydrophobicContact CE1-CG 4.47Å
166	I	86.6	Confident	77.3	Confident	28 Å²	28	73.2 Å²	73.2	14%	0.144	37%	0.366	C	S	.	.	H	α-helix	trans	-61.8	-38.8	177.7	-66.8	162.6	0	0	0	111.2	L149 S162 L163 T168 G170	L149-I166 WeakPolarHBondContact O-CD1 3.48Å; S162-I166 VanDerWaalsContact O-CG1 3.3Å; S162-I166 WeakPolarHBondContact O-CG1 3.33Å; S162-I166 PolarHBondContact O-N 3.24Å; L163-I166 PolarHBondContact O-N 3.35Å; I166-T168 VanDerWaalsContact C-N 3.35Å; I166-G170 WeakPolarHBondContact O-CA 3.32Å; I166-G170 PolarHBondContact O-N 3.31Å
167	I	84.3	Confident	76.8	Confident	79 Å²	79	75.6 Å²	75.6	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-65.8	-38.1	177.4	-69	164.9	0	0	0	111.3	T101 I107 L163 C164 Y165	T101-I167 HydrophobicContact CG2-CG2 4.13Å; I107-I167 HydrophobicContact CD1-CG2 4.13Å; L163-I167 HydrophobicContact CD1-CD1 3.92Å; L163-I167 HydrophobicContact CD1-CG1 4.15Å; L163-I167 HydrophobicContact CG-CD1 3.86Å; L163-I167 VanDerWaalsContact O-CG1 3.29Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 3.36Å; C164-I167 PolarHBondContact O-N 3.16Å; Y165-I167 VanDerWaalsContact C-N 3.3Å; Y165-I167 PolarHBondContact O-N 3.08Å
168	T	81.6	Confident	76.1	Confident	34 Å²	34	77.8 Å²	77.8	21%	0.209	38%	0.38	C	S	.	.	H	α-helix	trans	-90.6	-24.9	-174.9	51.7	0	0	0	0	114.3	T101 E104 I107 C164 Y165 I166	T101-T168 HydrophobicContact CG2-CG2 4.2Å; E104-T168 HydrophobicContact CB-CG2 4.28Å; I107-T168 HydrophobicContact CD1-CG2 3.94Å; C164-T168 PolarHBondContact O-N 2.89Å; C164-T168 VanDerWaalsContact O-N 3.08Å; C164-T168 PolarHBondContact O-OG1 3.04Å; Y165-T168 PolarHBondContact O-N 2.89Å; Y165-T168 PolarHBondContact O-OG1 3.35Å; I166-T168 VanDerWaalsContact C-N 3.35Å
169	H	80.1	Confident	75.2	Confident	114 Å²	114	82.4 Å²	82.4	53%	0.528	40%	0.403	S	S	.	.	H	α-helix	trans	-124.9	-13.5	-173.4	-57.5	82.8	0	0	0	114.3	E104 Y165	E104-H169 IonicContact OE2-CE1 2.86Å; Y165-H169 HydrophobicContact CD1-CB 4.38Å; Y165-H169 AromaticContact CD2-CE1 3.88Å; Y165-H169 AromaticContact CD2-ND1 3.47Å; Y165-H169 WeakPolarHBondContact CD2-ND1 3.43Å; Y165-H169 HydrophobicContact CE1-CB 3.99Å; Y165-H169 HydrophobicContact CE2-CB 4.17Å; Y165-H169 AromaticContact CE2-CE1 3.85Å; Y165-H169 AromaticContact CE2-CG 3.69Å; Y165-H169 AromaticContact CE2-ND1 3.53Å; Y165-H169 AromaticContact CZ-CG 3.88Å; Y165-H169 WeakPolarHBondContact O-CB 3.4Å; Y165-H169 PolarHBondContact O-N 3.11Å; Y165-H169 PolarHBondContact O-ND1 2.97Å
170	G	74	Confident	74.2	Confident	34 Å²	34	83.9 Å²	83.9	35%	0.351	41%	0.408	S	S	.	.			trans	92.9	172.7	-174.4	0	0	0	0	0	113.9	I166	I166-G170 WeakPolarHBondContact O-CA 3.32Å; I166-G170 PolarHBondContact O-N 3.31Å
171	D	69.8	Low	73.1	Confident	59 Å²	59	88.9 Å²	88.9	32%	0.316	43%	0.433	S	S	.	.			trans	-83.7	120.8	173.3	-172	16.6	0	0	0	108.9	K173	D171-K173 PolarHBondContact O-N 3.32Å
172	E	57.4	Low	72	Confident	153 Å²	153	86.7 Å²	86.7	72%	0.715	43%	0.427	S	S	*	.			trans	-68.5	8.9	-179.1	-71.6	-170.5	148.3	0	0	113.9	Y165 E174	Y165-E172 HydrophobicContact CE1-CG 4.47Å; E172-E174 PolarHBondContact O-N 3.49Å
173	K	47.7	Very low	70.7	Confident	158 Å²	158	90.2 Å²	90.2	69%	0.687	44%	0.437	S	S	*	.			trans	-78.2	57.2	175.3	-66.1	-177.6	-169.7	158.4	0	112.3	D171	D171-K173 PolarHBondContact O-N 3.32Å
174	E	38.9	Very low	69.2	Low	153 Å²	153	97.3 Å²	97.3	72%	0.715	47%	0.472	S	S	*	.			trans	-116.3	71.1	152.8	-75.6	-168.2	174.3	0	0	108.6	E172	E172-E174 PolarHBondContact O-N 3.49Å
175	E	34.2	Very low	67.4	Low	267 Å²	267	106.2 Å²	106.2	100%	1.248	52%	0.515	S	S	*	.			trans	-103.8	0	155.9	-77	-162.9	156.8	0	0	110.3

Retrieved 175 of 175 residues in 282.8 ms (Link to these results)

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