A0A3Q0KF56_SCHMA Loading...

DOT1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KF56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 216 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	45.5	Very low	49.4	Very low	248 Å²	248	149.9 Å²	149.9	100%	1.222	84%	0.835	S	S	*	*				0	112.1	0	-76.3	155.9	119.9	0	0	106.6
2	N	51.5	Low	49.6	Very low	158 Å²	158	143 Å²	143	85%	0.845	82%	0.823	S	S	*	*			trans	-70.4	170.6	167.8	-109.4	-0.3	0	0	0	110.1
3	T	48.4	Very low	49.4	Very low	119 Å²	119	146.4 Å²	146.4	73%	0.73	83%	0.826	S	S	*	*			trans	105.5	125.6	171.1	70.6	0	0	0	0	113.5
4	D	50.1	Low	49.7	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	82%	0.821	S	S	*	*			cis	-160.4	153.6	-0.3	-85.7	-35.8	0	0	0	107.9
5	A	49.5	Very low	50	Low	97 Å²	97	140.7 Å²	140.7	80%	0.802	81%	0.813	S	S	*	*			trans	-84.8	154.6	165	0	0	0	0	0	111.2
6	P	58.9	Low	49.9	Very low	123 Å²	123	142.3 Å²	142.3	80%	0.799	82%	0.815	S	S	*	*			trans	-133.1	116.7	144.3	30.1	-13	0	0	0	113.6
7	L	47.5	Very low	49.8	Very low	161 Å²	161	143.8 Å²	143.8	84%	0.843	81%	0.813	S	S	*	*			trans	30.7	108.4	131.6	-65.5	165.1	0	0	0	121.5
8	E	40.3	Very low	49.8	Very low	171 Å²	171	141.8 Å²	141.8	80%	0.799	81%	0.81	S	S	*	*				49.9	126	111.4	-69.6	-99.5	126.9	0	0	122.2
9	S	51.7	Low	49.9	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	81%	0.805	S	S	*	*			trans	87.6	97.1	140	77.6	0	0	0	0	120
10	I	53.7	Low	50.2	Low	171 Å²	171	137.8 Å²	137.8	88%	0.877	80%	0.795	S	S	*	*			trans	-130.8	106	145.1	-60.6	-179.2	0	0	0	107.8	G12	I10-G12 PolarHBondContact O-N 3.41Å
11	I	46.9	Very low	50.2	Low	156 Å²	156	138.5 Å²	138.5	80%	0.8	80%	0.796	S	S	*	*			trans	-67.2	108.8	175.4	-67.7	163.7	0	0	0	108.4	H13	I11-H13 PolarHBondContact O-N 2.71Å
12	G	51.9	Low	50.4	Low	67 Å²	67	137 Å²	137	69%	0.691	78%	0.777	S	S	*	*			trans	-81.7	110.2	173.3	0	0	0	0	0	110.9	I10 S14	I10-G12 PolarHBondContact O-N 3.41Å; G12-S14 PolarHBondContact O-N 2.94Å; G12-S14 VanDerWaalsContact O-N 3.15Å
13	H	46.2	Very low	50.4	Low	187 Å²	187	137.9 Å²	137.9	87%	0.866	78%	0.775	S	S	*	*			trans	-67.4	103.1	175.1	-134.5	-89.9	0	0	0	109.8	I11 S15	I11-H13 PolarHBondContact O-N 2.71Å; H13-S15 PolarHBondContact O-N 3.31Å
14	S	54.4	Low	50.5	Low	108 Å²	108	136 Å²	136	76%	0.755	77%	0.766	S	S	*	*			trans	-80.6	103.7	175.7	42.5	0	0	0	0	110.4	G12 I16	G12-S14 PolarHBondContact O-N 2.94Å; G12-S14 VanDerWaalsContact O-N 3.15Å; S14-I16 PolarHBondContact O-N 3.04Å
15	S	53.4	Low	50.9	Low	100 Å²	100	136.1 Å²	136.1	70%	0.699	77%	0.765	S	S	*	*			trans	-74.3	116.8	171.7	54	0	0	0	0	110.6	H13 H17	H13-S15 PolarHBondContact O-N 3.31Å; S15-H17 PolarHBondContact O-N 2.95Å
16	I	48.4	Very low	51.2	Low	165 Å²	165	136.8 Å²	136.8	85%	0.846	76%	0.755	S	S	*	*			trans	-67.5	107.6	174.4	-63.1	169.1	0	0	0	109	S14 S18	S14-I16 PolarHBondContact O-N 3.04Å; I16-S18 PolarHBondContact O-N 3.38Å
17	H	48.1	Very low	51	Low	169 Å²	169	140.5 Å²	140.5	78%	0.782	75%	0.753	S	S	*	*			trans	-82.3	100.6	172.5	-117.8	-77.7	0	0	0	109.5	S15 T19	S15-H17 PolarHBondContact O-N 2.95Å; H17-T19 PolarHBondContact O-N 3.42Å
18	S	50.9	Low	52.1	Low	108 Å²	108	137.3 Å²	137.3	76%	0.755	74%	0.737	S	S	*	*			trans	-78.6	104.6	170.5	175.5	0	0	0	0	110	I16 S20	I16-S18 PolarHBondContact O-N 3.38Å; S18-S20 PolarHBondContact O-N 2.89Å
19	T	50.4	Low	53.7	Low	116 Å²	116	132.8 Å²	132.8	71%	0.712	72%	0.722	S	S	*	*			trans	-82.2	92.1	174.9	47	0	0	0	0	110.7	H17 N21	H17-T19 PolarHBondContact O-N 3.42Å; T19-N21 PolarHBondContact O-N 3.37Å; T19-N21 VanDerWaalsContact O-N 3.09Å
20	S	56.6	Low	55.1	Low	87 Å²	87	134 Å²	134	61%	0.608	72%	0.72	S	S	*	*			trans	-71.9	96.8	167.6	159.6	0	0	0	0	109.7	S18 R22	S18-S20 PolarHBondContact O-N 2.89Å; S20-R22 VanDerWaalsContact C-N 3.33Å; S20-R22 PolarHBondContact O-N 3.15Å
21	N	49.4	Very low	56.3	Low	152 Å²	152	131 Å²	131	81%	0.813	71%	0.705	S	S	*	*			trans	-61.9	85.2	169.6	-86.1	-19.3	0	0	0	111.3	T19	T19-N21 PolarHBondContact O-N 3.37Å; T19-N21 VanDerWaalsContact O-N 3.09Å
22	R	49.8	Very low	58	Low	218 Å²	218	128.7 Å²	128.7	82%	0.823	69%	0.693	S	S	*	*			trans	-89.9	101.5	162.7	-70.3	-171.4	-172.5	-158.7	2.4	108.1	S20	S20-R22 VanDerWaalsContact C-N 3.33Å; S20-R22 PolarHBondContact O-N 3.15Å
23	H	52.8	Low	59.4	Low	175 Å²	175	127 Å²	127	81%	0.81	68%	0.676	S	S	*	*			trans	-58.9	125.7	166.1	-96.6	-81.2	0	0	0	108.9
24	P	48.9	Very low	61.2	Low	81 Å²	81	121.6 Å²	121.6	53%	0.526	66%	0.658	S	S	.	*			trans	-73.3	145.5	-171.1	29	-33.6	0	0	0	111.2	L26	P24-L26 HydrophobicContact CB-CD1 4.25Å; P24-L26 HydrophobicContact CB-CG 4.35Å; P24-L26 HydrophobicContact CG-CD1 3.96Å; P24-L26 HydrophobicContact CG-CG 4.46Å; P24-L26 PolarHBondContact O-N 3.29Å
25	L	58.4	Low	62.7	Low	150 Å²	150	117.9 Å²	117.9	79%	0.785	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	16.4	176.2	-95	105.3	0	0	0	116.3	W27 N28	L25-W27 PolarHBondContact O-N 2.93Å; L25-N28 PolarHBondContact O-N 3.13Å
26	L	56.3	Low	64.3	Low	111 Å²	111	118.2 Å²	118.2	58%	0.581	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-10	-177.7	-74.8	167.8	0	0	0	114.2	P24 N28 P29	P24-L26 HydrophobicContact CB-CD1 4.25Å; P24-L26 HydrophobicContact CB-CG 4.35Å; P24-L26 HydrophobicContact CG-CD1 3.96Å; P24-L26 HydrophobicContact CG-CG 4.46Å; P24-L26 PolarHBondContact O-N 3.29Å; L26-N28 VanDerWaalsContact C-N 3.35Å; L26-P29 WeakPolarHBondContact O-CD 3.25Å; L26-P29 WeakPolarHBondContact O-CG 3.4Å
27	W	55.6	Low	66.2	Low	200 Å²	200	114.3 Å²	114.3	76%	0.758	61%	0.614	S	S	*	*	H	α-helix	trans	-69.6	-31.4	175.6	-83.5	41.4	0	0	0	112.8	L25 L31	L25-W27 PolarHBondContact O-N 2.93Å; W27-L31 HydrophobicContact CB-CD1 4.37Å; W27-L31 WeakPolarHBondContact O-CB 3.23Å; W27-L31 WeakPolarHBondContact O-CD1 3.31Å; W27-L31 WeakPolarHBondContact O-CG 3.46Å; W27-L31 PolarHBondContact O-N 2.83Å; W27-L31 VanDerWaalsContact O-N 3.11Å
28	N	70.4	Confident	68.1	Low	94 Å²	94	109.6 Å²	109.6	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-60.4	-51.9	-177.3	-76.5	1.1	0	0	0	114	L25 L26 I30 L31 I32	L25-N28 PolarHBondContact O-N 3.13Å; L26-N28 VanDerWaalsContact C-N 3.35Å; N28-I30 PolarHBondContact O-N 3.09Å; N28-L31 PolarHBondContact O-N 3.1Å; N28-I32 VanDerWaalsContact O-CD1 3.3Å; N28-I32 WeakPolarHBondContact O-CD1 3.26Å; N28-I32 WeakPolarHBondContact O-CG1 3.49Å; N28-I32 PolarHBondContact O-N 2.99Å
29	P	74.6	Confident	69.9	Low	77 Å²	77	108.1 Å²	108.1	50%	0.5	58%	0.583	S	S	.	*	H	α-helix	trans	-67.1	-35.3	-177.9	24.4	-34.4	0	0	0	113.4	L26 I32 G33	L26-P29 WeakPolarHBondContact O-CD 3.25Å; L26-P29 WeakPolarHBondContact O-CG 3.4Å; P29-I32 PolarHBondContact O-N 3.09Å; P29-G33 PolarHBondContact O-N 3.31Å
30	I	79.5	Confident	71.7	Confident	123 Å²	123	105.9 Å²	105.9	63%	0.631	57%	0.57	S	S	*	*	H	α-helix	trans	-66.7	-43.6	179.1	-62.8	171.7	0	0	0	110.3	N28 G33 C34	N28-I30 PolarHBondContact O-N 3.09Å; I30-G33 PolarHBondContact O-N 3.23Å; I30-C34 WeakPolarHBondContact O-CB 3.27Å; I30-C34 PolarHBondContact O-N 3.03Å
31	L	80.4	Confident	73.3	Confident	108 Å²	108	103.9 Å²	103.9	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-64.4	-41.6	176.4	-70.6	169.1	0	0	0	111.8	W27 N28 C34 G35	W27-L31 HydrophobicContact CB-CD1 4.37Å; W27-L31 WeakPolarHBondContact O-CB 3.23Å; W27-L31 WeakPolarHBondContact O-CD1 3.31Å; W27-L31 WeakPolarHBondContact O-CG 3.46Å; W27-L31 PolarHBondContact O-N 2.83Å; W27-L31 VanDerWaalsContact O-N 3.11Å; N28-L31 PolarHBondContact O-N 3.1Å; L31-C34 PolarHBondContact O-N 2.99Å; L31-G35 PolarHBondContact O-N 3.23Å
32	I	81.5	Confident	75.1	Confident	107 Å²	107	100.8 Å²	100.8	55%	0.549	55%	0.545	S	S	.	.	H	α-helix	trans	-63.2	-46.4	176	-65.7	161.6	0	0	0	110.6	N28 P29 C34 G35 I36	N28-I32 VanDerWaalsContact O-CD1 3.3Å; N28-I32 WeakPolarHBondContact O-CD1 3.26Å; N28-I32 WeakPolarHBondContact O-CG1 3.49Å; N28-I32 PolarHBondContact O-N 2.99Å; P29-I32 PolarHBondContact O-N 3.09Å; I32-C34 PolarHBondContact O-N 3.46Å; I32-G35 PolarHBondContact O-N 2.84Å; I32-I36 HydrophobicContact CG2-CD1 4Å; I32-I36 WeakPolarHBondContact O-CG1 3.48Å; I32-I36 PolarHBondContact O-N 3.41Å
33	G	81	Confident	76.8	Confident	32 Å²	32	98.2 Å²	98.2	33%	0.33	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-44.9	178.5	0	0	0	0	0	112.6	P29 I30 G35 I36 T37	P29-G33 PolarHBondContact O-N 3.31Å; I30-G33 PolarHBondContact O-N 3.23Å; G33-G35 VanDerWaalsContact C-N 3.32Å; G33-G35 PolarHBondContact O-N 3.29Å; G33-I36 PolarHBondContact O-N 3.37Å; G33-T37 WeakPolarHBondContact O-CG2 3.5Å; G33-T37 PolarHBondContact O-N 3.44Å; G33-T37 VanDerWaalsContact O-N 3.08Å; G33-T37 PolarHBondContact O-OG1 3.44Å
34	C	85.3	Confident	78.3	Confident	72 Å²	72	94.8 Å²	94.8	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-36.1	176	-162	0	0	0	0	112.1	I30 L31 I32 T37 T38	I30-C34 WeakPolarHBondContact O-CB 3.27Å; I30-C34 PolarHBondContact O-N 3.03Å; L31-C34 PolarHBondContact O-N 2.99Å; I32-C34 PolarHBondContact O-N 3.46Å; C34-T37 WeakPolarHBondContact CA-OG1 3.22Å; C34-T37 PolarHBondContact O-OG1 3.46Å; C34-T38 WeakPolarHBondContact O-CB 3.46Å; C34-T38 VanDerWaalsContact O-CG2 3.25Å; C34-T38 WeakPolarHBondContact O-CG2 3.39Å; C34-T38 PolarHBondContact O-N 3.36Å; C34-T38 PolarHBondContact O-OG1 2.82Å
35	G	85.2	Confident	80	Confident	31 Å²	31	96.5 Å²	96.5	32%	0.32	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-45	173.2	0	0	0	0	0	112.8	L31 I32 G33 T38 V39	L31-G35 PolarHBondContact O-N 3.23Å; I32-G35 PolarHBondContact O-N 2.84Å; G33-G35 VanDerWaalsContact C-N 3.32Å; G33-G35 PolarHBondContact O-N 3.29Å; G35-T38 WeakPolarHBondContact CA-OG1 3.43Å; G35-T38 PolarHBondContact O-OG1 2.9Å; G35-V39 WeakPolarHBondContact O-CB 3.49Å; G35-V39 WeakPolarHBondContact O-CG2 3.38Å; G35-V39 PolarHBondContact O-N 3.28Å
36	I	87.2	Confident	81	Confident	106 Å²	106	96.7 Å²	96.7	54%	0.544	51%	0.513	S	S	.	.	H	α-helix	trans	-67.1	-42.1	179.5	-63.7	165.2	0	0	0	111.1	I32 G33 T40	I32-I36 HydrophobicContact CG2-CD1 4Å; I32-I36 WeakPolarHBondContact O-CG1 3.48Å; I32-I36 PolarHBondContact O-N 3.41Å; G33-I36 PolarHBondContact O-N 3.37Å; I36-T40 HydrophobicContact CG2-CG2 4.45Å; I36-T40 WeakPolarHBondContact O-CB 3.48Å; I36-T40 WeakPolarHBondContact O-CG2 3.5Å; I36-T40 PolarHBondContact O-N 3.14Å; I36-T40 PolarHBondContact O-OG1 3.26Å
37	T	87.8	Confident	82	Confident	84 Å²	84	95.3 Å²	95.3	52%	0.515	51%	0.512	S	S	.	.	H	α-helix	trans	-68.9	-38.8	-179.3	57.1	0	0	0	0	112.1	G33 C34 T40 S41	G33-T37 WeakPolarHBondContact O-CG2 3.5Å; G33-T37 PolarHBondContact O-N 3.44Å; G33-T37 VanDerWaalsContact O-N 3.08Å; G33-T37 PolarHBondContact O-OG1 3.44Å; C34-T37 WeakPolarHBondContact CA-OG1 3.22Å; C34-T37 PolarHBondContact O-OG1 3.46Å; T37-T40 WeakPolarHBondContact CA-OG1 3.49Å; T37-T40 PolarHBondContact O-OG1 3.4Å; T37-S41 WeakPolarHBondContact O-CB 3.24Å; T37-S41 PolarHBondContact O-N 2.83Å
38	T	88.9	Confident	83	Confident	70 Å²	70	93.6 Å²	93.6	43%	0.429	51%	0.511	S	S	.	.	H	α-helix	trans	-65.9	-45.6	175.6	48.8	0	0	0	0	111.5	C34 G35 S41 C42	C34-T38 WeakPolarHBondContact O-CB 3.46Å; C34-T38 VanDerWaalsContact O-CG2 3.25Å; C34-T38 WeakPolarHBondContact O-CG2 3.39Å; C34-T38 PolarHBondContact O-N 3.36Å; C34-T38 PolarHBondContact O-OG1 2.82Å; G35-T38 WeakPolarHBondContact CA-OG1 3.43Å; G35-T38 PolarHBondContact O-OG1 2.9Å; T38-S41 PolarHBondContact O-N 3.49Å; T38-C42 WeakPolarHBondContact O-CB 3.15Å; T38-C42 PolarHBondContact O-N 2.76Å; T38-C42 PolarHBondContact O-SG 3.26Å
39	V	88.2	Confident	83.1	Confident	76 Å²	76	92.7 Å²	92.7	46%	0.461	51%	0.505	S	S	.	.	H	α-helix	trans	-61.3	-48	177.4	171.8	0	0	0	0	111.3	G35 S41 C42 Y43	G35-V39 WeakPolarHBondContact O-CB 3.49Å; G35-V39 WeakPolarHBondContact O-CG2 3.38Å; G35-V39 PolarHBondContact O-N 3.28Å; V39-S41 PolarHBondContact O-N 3Å; V39-C42 PolarHBondContact O-N 2.93Å; V39-Y43 HydrophobicContact CG1-CD2 3.62Å; V39-Y43 HydrophobicContact CG1-CE2 3.47Å; V39-Y43 VanDerWaalsContact CG1-CE2 3.47Å; V39-Y43 WeakPolarHBondContact O-CD2 3.35Å; V39-Y43 PolarHBondContact O-N 2.88Å
40	T	88.8	Confident	82.8	Confident	70 Å²	70	90.8 Å²	90.8	43%	0.429	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-43.5	178.6	48.6	0	0	0	0	112.1	I36 T37 Y43 I44	I36-T40 HydrophobicContact CG2-CG2 4.45Å; I36-T40 WeakPolarHBondContact O-CB 3.48Å; I36-T40 WeakPolarHBondContact O-CG2 3.5Å; I36-T40 PolarHBondContact O-N 3.14Å; I36-T40 PolarHBondContact O-OG1 3.26Å; T37-T40 WeakPolarHBondContact CA-OG1 3.49Å; T37-T40 PolarHBondContact O-OG1 3.4Å; T40-Y43 PolarHBondContact O-N 2.97Å; T40-I44 WeakPolarHBondContact O-CD1 3.47Å; T40-I44 VanDerWaalsContact O-CG1 3.27Å; T40-I44 WeakPolarHBondContact O-CG1 3.07Å; T40-I44 PolarHBondContact O-N 2.69Å
41	S	89.2	Confident	82	Confident	45 Å²	45	87.7 Å²	87.7	32%	0.315	48%	0.481	S	S	.	.	H	α-helix	trans	-58.4	-49.2	173.2	-178.2	0	0	0	0	111.7	T37 T38 V39 Y43 I44 F45	T37-S41 WeakPolarHBondContact O-CB 3.24Å; T37-S41 PolarHBondContact O-N 2.83Å; T38-S41 PolarHBondContact O-N 3.49Å; V39-S41 PolarHBondContact O-N 3Å; S41-Y43 VanDerWaalsContact C-N 3.33Å; S41-Y43 PolarHBondContact O-N 2.83Å; S41-I44 PolarHBondContact O-N 3.04Å; S41-I44 VanDerWaalsContact O-N 3.14Å; S41-F45 WeakPolarHBondContact O-CD2 3.29Å; S41-F45 PolarHBondContact O-N 2.93Å; S41-F45 WeakPolarHBondContact OG-CD2 3.49Å; S41-F45 VanDerWaalsContact OG-CE2 3.22Å; S41-F45 WeakPolarHBondContact OG-CE2 3.46Å
42	C	87.4	Confident	81.2	Confident	86 Å²	86	86.7 Å²	86.7	58%	0.581	49%	0.489	S	S	*	.	H	α-helix	trans	-58.5	-40.6	176.1	-72.7	0	0	0	0	112.5	T38 V39 F45 W46	T38-C42 WeakPolarHBondContact O-CB 3.15Å; T38-C42 PolarHBondContact O-N 2.76Å; T38-C42 PolarHBondContact O-SG 3.26Å; V39-C42 PolarHBondContact O-N 2.93Å; C42-F45 PolarHBondContact O-N 2.87Å; C42-W46 WeakPolarHBondContact O-CB 3.39Å; C42-W46 PolarHBondContact O-N 2.83Å
43	Y	85.3	Confident	80.4	Confident	165 Å²	165	88.9 Å²	88.9	65%	0.647	49%	0.494	S	S	*	.	H	α-helix	trans	-64.9	-40.3	175.1	-86.1	-70.3	0	0	0	112.8	V39 T40 S41 S47	V39-Y43 HydrophobicContact CG1-CD2 3.62Å; V39-Y43 HydrophobicContact CG1-CE2 3.47Å; V39-Y43 VanDerWaalsContact CG1-CE2 3.47Å; V39-Y43 WeakPolarHBondContact O-CD2 3.35Å; V39-Y43 PolarHBondContact O-N 2.88Å; T40-Y43 PolarHBondContact O-N 2.97Å; S41-Y43 VanDerWaalsContact C-N 3.33Å; S41-Y43 PolarHBondContact O-N 2.83Å; Y43-S47 PolarHBondContact O-N 3.19Å; Y43-S47 PolarHBondContact O-OG 3.39Å
44	I	85.2	Confident	79.5	Confident	102 Å²	102	91.5 Å²	91.5	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-63.4	-51.3	175.5	-66.3	162.3	0	0	0	109.4	T40 S41 W46 S47 F48	T40-I44 WeakPolarHBondContact O-CD1 3.47Å; T40-I44 VanDerWaalsContact O-CG1 3.27Å; T40-I44 WeakPolarHBondContact O-CG1 3.07Å; T40-I44 PolarHBondContact O-N 2.69Å; S41-I44 PolarHBondContact O-N 3.04Å; S41-I44 VanDerWaalsContact O-N 3.14Å; I44-W46 PolarHBondContact O-N 2.82Å; I44-S47 VanDerWaalsContact O-CB 3.3Å; I44-S47 WeakPolarHBondContact O-CB 3.42Å; I44-S47 PolarHBondContact O-N 3.23Å; I44-F48 HydrophobicContact CG2-CE2 4.19Å; I44-F48 VanDerWaalsContact O-CD2 3.23Å; I44-F48 WeakPolarHBondContact O-CD2 3.32Å
45	F	83.4	Confident	78	Confident	118 Å²	118	98.3 Å²	98.3	52%	0.518	52%	0.516	S	S	.	.	H	α-helix	trans	-67.5	-36.7	-179.4	-76.1	-66.9	0	0	0	113.3	S41 C42 S47 F48 I49	S41-F45 WeakPolarHBondContact O-CD2 3.29Å; S41-F45 PolarHBondContact O-N 2.93Å; S41-F45 WeakPolarHBondContact OG-CD2 3.49Å; S41-F45 VanDerWaalsContact OG-CE2 3.22Å; S41-F45 WeakPolarHBondContact OG-CE2 3.46Å; C42-F45 PolarHBondContact O-N 2.87Å; F45-S47 PolarHBondContact O-N 2.99Å; F45-F48 PolarHBondContact O-N 3.37Å; F45-I49 HydrophobicContact CB-CD1 4.14Å; F45-I49 WeakPolarHBondContact O-CB 3.39Å; F45-I49 WeakPolarHBondContact O-CG1 3.49Å; F45-I49 PolarHBondContact O-N 3.31Å
46	W	80.7	Confident	76.6	Confident	154 Å²	154	102.9 Å²	102.9	58%	0.583	53%	0.531	S	S	*	.	H	α-helix	trans	-59.5	-33.2	175.2	-171.3	-106.9	0	0	0	111.8	C42 I44 F48 I49 S50	C42-W46 WeakPolarHBondContact O-CB 3.39Å; C42-W46 PolarHBondContact O-N 2.83Å; I44-W46 PolarHBondContact O-N 2.82Å; W46-F48 PolarHBondContact O-N 2.8Å; W46-I49 PolarHBondContact O-N 3.32Å; W46-S50 WeakPolarHBondContact O-CB 3.23Å; W46-S50 PolarHBondContact O-N 2.83Å; W46-S50 PolarHBondContact O-OG 3.12Å; W46-S50 VanDerWaalsContact O-OG 3.06Å
47	S	76.3	Confident	75	Confident	82 Å²	82	102.2 Å²	102.2	57%	0.573	54%	0.535	S	S	*	.	H	α-helix	trans	-62.7	-31.8	174.5	-57.6	0	0	0	0	112.4	Y43 I44 F45	Y43-S47 PolarHBondContact O-N 3.19Å; Y43-S47 PolarHBondContact O-OG 3.39Å; I44-S47 VanDerWaalsContact O-CB 3.3Å; I44-S47 WeakPolarHBondContact O-CB 3.42Å; I44-S47 PolarHBondContact O-N 3.23Å; F45-S47 PolarHBondContact O-N 2.99Å
48	F	76.7	Confident	73.8	Confident	164 Å²	164	102.2 Å²	102.2	72%	0.719	53%	0.531	S	S	*	.	H	α-helix	trans	-85.9	-32	175.9	-69	-81.9	0	0	0	113.7	I44 F45 W46 P51	I44-F48 HydrophobicContact CG2-CE2 4.19Å; I44-F48 VanDerWaalsContact O-CD2 3.23Å; I44-F48 WeakPolarHBondContact O-CD2 3.32Å; F45-F48 PolarHBondContact O-N 3.37Å; W46-F48 PolarHBondContact O-N 2.8Å; F48-P51 VanDerWaalsContact O-CD 3.3Å; F48-P51 WeakPolarHBondContact O-CD 3.21Å
49	I	72.9	Confident	72.7	Confident	74 Å²	74	103.7 Å²	103.7	38%	0.379	54%	0.543	S	S	.	.	H	α-helix	trans	-87.4	-34.4	-173.6	-68.6	164.3	0	0	0	112.1	F45 W46 P51 A52 F53	F45-I49 HydrophobicContact CB-CD1 4.14Å; F45-I49 WeakPolarHBondContact O-CB 3.39Å; F45-I49 WeakPolarHBondContact O-CG1 3.49Å; F45-I49 PolarHBondContact O-N 3.31Å; W46-I49 PolarHBondContact O-N 3.32Å; I49-P51 VanDerWaalsContact C-N 3.32Å; I49-P51 WeakPolarHBondContact O-CD 3.25Å; I49-P51 VanDerWaalsContact O-N 3.15Å; I49-A52 PolarHBondContact O-N 3.37Å; I49-F53 HydrophobicContact CG2-CD2 3.68Å; I49-F53 HydrophobicContact CG2-CE2 3.3Å
50	S	68.3	Low	71.7	Confident	37 Å²	37	105.5 Å²	105.5	26%	0.259	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.5	-176.4	66.3	0	0	0	0	116.4	W46 A52	W46-S50 WeakPolarHBondContact O-CB 3.23Å; W46-S50 PolarHBondContact O-N 2.83Å; W46-S50 PolarHBondContact O-OG 3.12Å; W46-S50 VanDerWaalsContact O-OG 3.06Å; S50-A52 VanDerWaalsContact C-N 3.34Å
51	P	62.2	Low	71	Confident	59 Å²	59	106.8 Å²	106.8	38%	0.383	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-35.1	173.9	-20.7	34.3	0	0	0	113.3	F48 I49 F53 R54	F48-P51 VanDerWaalsContact O-CD 3.3Å; F48-P51 WeakPolarHBondContact O-CD 3.21Å; I49-P51 VanDerWaalsContact C-N 3.32Å; I49-P51 WeakPolarHBondContact O-CD 3.25Å; I49-P51 VanDerWaalsContact O-N 3.15Å; P51-F53 VanDerWaalsContact C-N 3.31Å; P51-F53 PolarHBondContact O-N 2.82Å; P51-R54 PolarHBondContact O-N 3.4Å
52	A	63.9	Low	70.7	Confident	87 Å²	87	107.2 Å²	107.2	72%	0.719	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.6	-175.9	0	0	0	0	0	113.2	I49 S50 R54	I49-A52 PolarHBondContact O-N 3.37Å; S50-A52 VanDerWaalsContact C-N 3.34Å; A52-R54 VanDerWaalsContact C-N 3.27Å; A52-R54 PolarHBondContact O-N 3.01Å
53	F	65	Low	70.7	Confident	152 Å²	152	103.3 Å²	103.3	67%	0.667	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	4.1	178.2	-75	-75.3	0	0	0	114.2	I49 P51 K55	I49-F53 HydrophobicContact CG2-CD2 3.68Å; I49-F53 HydrophobicContact CG2-CE2 3.3Å; P51-F53 VanDerWaalsContact C-N 3.31Å; P51-F53 PolarHBondContact O-N 2.82Å; F53-K55 PolarHBondContact O-N 2.81Å
54	R	61.7	Low	71	Confident	88 Å²	88	97.8 Å²	97.8	33%	0.332	51%	0.507	S	S	.	.			trans	-81.5	111.2	172.8	-57.6	-172.4	-156.9	-175.8	11	108.8	P51 A52 I56 L120	P51-R54 PolarHBondContact O-N 3.4Å; A52-R54 VanDerWaalsContact C-N 3.27Å; A52-R54 PolarHBondContact O-N 3.01Å; R54-I56 PolarHBondContact O-N 3.12Å; R54-L120 PolarHBondContact NH1-O 3.39Å
55	K	54	Low	71.4	Confident	215 Å²	215	97.1 Å²	97.1	94%	0.935	51%	0.512	S	S	*	.	S	Bend	trans	-53.7	-18.3	-176.9	-77.7	-174.6	175.6	-176.4	0	115.6	F53	F53-K55 PolarHBondContact O-N 2.81Å
56	I	55.2	Low	71.9	Confident	126 Å²	126	94 Å²	94	65%	0.646	50%	0.503	S	S	*	.			trans	-138.5	97.6	179.9	-57.4	169.2	0	0	0	107.7	R54 L58	R54-I56 PolarHBondContact O-N 3.12Å; I56-L58 HydrophobicContact CG2-CG 4.39Å
57	C	53	Low	72.6	Confident	92 Å²	92	87.1 Å²	87.1	62%	0.622	48%	0.478	S	S	*	.			trans	-104.2	99.7	165.5	-75	0	0	0	0	107.3
58	L	62.7	Low	73.6	Confident	84 Å²	84	84 Å²	84	44%	0.44	45%	0.454	S	S	.	.			trans	-66.2	134.7	167.9	-71.3	169	0	0	0	108.3	I56 F60 V167 M170	I56-L58 HydrophobicContact CG2-CG 4.39Å; L58-F60 PolarHBondContact O-N 3.33Å; L58-V167 HydrophobicContact CD2-CG1 4.34Å; L58-V167 HydrophobicContact CD2-CG2 3.65Å; L58-M170 HydrophobicContact CD1-SD 4.18Å
59	P	65.8	Low	74.5	Confident	102 Å²	102	79.3 Å²	79.3	66%	0.662	44%	0.437	S	S	*	.			trans	-61.5	133.2	173.5	25.8	-32.3	0	0	0	109.3	L61	P59-L61 PolarHBondContact O-N 2.81Å; P59-L61 VanDerWaalsContact O-N 3.08Å
60	F	68.1	Low	75.7	Confident	113 Å²	113	78.2 Å²	78.2	50%	0.496	43%	0.428	S	S	.	.			trans	-65.6	111.2	175.9	175.1	-105.3	0	0	0	109.3	L58 P62 D97 L124	L58-F60 PolarHBondContact O-N 3.33Å; F60-P62 HydrophobicContact CE1-CB 3.8Å; F60-P62 HydrophobicContact CE1-CG 4.14Å; F60-P62 HydrophobicContact CZ-CB 3.95Å; F60-D97 HydrophobicContact CE2-CB 4.32Å; F60-D97 HydrophobicContact CZ-CB 3.97Å; F60-L124 HydrophobicContact CD2-CD1 4.45Å
61	L	74.3	Confident	77.1	Confident	97 Å²	97	76.4 Å²	76.4	51%	0.508	42%	0.416	S	S	.	.			trans	-110	102.7	175.4	-173.7	72.8	0	0	0	108.6	P59	P59-L61 PolarHBondContact O-N 2.81Å; P59-L61 VanDerWaalsContact O-N 3.08Å
62	P	82.3	Confident	78.8	Confident	55 Å²	55	76 Å²	76	36%	0.357	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-67.7	140	-177.9	26.4	-32.7	0	0	0	111	F60 T64	F60-P62 HydrophobicContact CE1-CB 3.8Å; F60-P62 HydrophobicContact CE1-CG 4.14Å; F60-P62 HydrophobicContact CZ-CB 3.95Å; P62-T64 PolarHBondContact O-N 2.98Å
63	A	87.5	Confident	80.4	Confident	4 Å²	4	77.4 Å²	77.4	3%	0.033	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-60.3	134.6	167.2	0	0	0	0	0	110.4	L68 R99 V100 F165	A63-L68 HydrophobicContact CB-CD2 3.88Å; A63-L68 HydrophobicContact CB-CG 4.33Å; A63-R99 HydrophobicContact CB-CG 4.35Å; A63-R99 WeakPolarHBondContact O-CD 3.18Å; A63-R99 PolarHBondContact O-NH1 2.9Å; A63-V100 HydrophobicContact CB-CG2 3.57Å; A63-F165 HydrophobicContact CB-CD1 3.84Å; A63-F165 HydrophobicContact CB-CE1 3.6Å
64	T	91.5	Very high	82	Confident	48 Å²	48	70.4 Å²	70.4	29%	0.294	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-85.7	155.5	178.4	65.9	0	0	0	0	110.7	P62 Q67 L68 H209	P62-T64 PolarHBondContact O-N 2.98Å; T64-Q67 WeakPolarHBondContact O-CB 3.37Å; T64-Q67 PolarHBondContact O-N 2.83Å; T64-Q67 VanDerWaalsContact O-N 3.09Å; T64-Q67 VanDerWaalsContact OG1-CB 3.32Å; T64-Q67 WeakPolarHBondContact OG1-CB 3.38Å; T64-L68 WeakPolarHBondContact O-CG 3.42Å; T64-L68 PolarHBondContact O-N 2.8Å; T64-H209 PolarHBondContact OG1-CE1 2.77Å; T64-H209 PolarHBondContact OG1-ND1 2.82Å
65	S	93.6	Very high	83.7	Confident	89 Å²	89	66.2 Å²	66.2	62%	0.622	35%	0.351	S	S	*	.	H	α-helix	trans	-57.3	-44.1	-179.6	-45.8	0	0	0	0	113.7	Q67 L68 D69	S65-Q67 VanDerWaalsContact C-N 3.28Å; S65-Q67 PolarHBondContact O-N 3.32Å; S65-L68 WeakPolarHBondContact O-CB 3.46Å; S65-L68 PolarHBondContact O-N 2.9Å; S65-D69 PolarHBondContact O-N 3Å; S65-D69 VanDerWaalsContact O-N 3.09Å
66	P	95.3	Very high	85.7	Confident	51 Å²	51	59.6 Å²	59.6	33%	0.331	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-38.9	174.6	-24.4	35	0	0	0	112.9	L68 D69 Y70 H209	P66-L68 PolarHBondContact O-N 3.38Å; P66-D69 WeakPolarHBondContact O-CB 3Å; P66-D69 PolarHBondContact O-N 2.95Å; P66-Y70 HydrophobicContact CB-CE2 4.2Å; P66-Y70 VanDerWaalsContact O-CD2 3.29Å; P66-Y70 WeakPolarHBondContact O-CD2 3.27Å; P66-Y70 VanDerWaalsContact O-CG 3.22Å; P66-Y70 PolarHBondContact O-N 2.97Å; P66-H209 HydrophobicContact CB-CB 4.37Å
67	Q	95.2	Very high	87.8	Confident	11 Å²	11	58.1 Å²	58.1	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-36.6	178.8	-171.7	172.9	61.8	0	0	112.2	T64 S65 Y70 T71 F165 A191 P208 H209 V211	T64-Q67 WeakPolarHBondContact O-CB 3.37Å; T64-Q67 PolarHBondContact O-N 2.83Å; T64-Q67 VanDerWaalsContact O-N 3.09Å; T64-Q67 VanDerWaalsContact OG1-CB 3.32Å; T64-Q67 WeakPolarHBondContact OG1-CB 3.38Å; S65-Q67 VanDerWaalsContact C-N 3.28Å; S65-Q67 PolarHBondContact O-N 3.32Å; Q67-Y70 PolarHBondContact O-N 2.84Å; Q67-T71 VanDerWaalsContact O-CB 3.31Å; Q67-T71 WeakPolarHBondContact O-CB 3.49Å; Q67-T71 PolarHBondContact O-N 2.96Å; Q67-T71 PolarHBondContact O-OG1 3.25Å; Q67-F165 HydrophobicContact CG-CE1 4Å; Q67-A191 HydrophobicContact CG-CB 4.3Å; Q67-P208 PolarHBondContact NE2-O 2.96Å; Q67-H209 HydrophobicContact CB-CB 4.37Å; Q67-V211 HydrophobicContact CG-CG2 3.71Å
68	L	96	Very high	89.9	Confident	15 Å²	15	54.1 Å²	54.1	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-42.3	172	-64.7	177.9	0	0	0	111.3	A63 T64 S65 P66 T71 Y72 V100 D103	A63-L68 HydrophobicContact CB-CD2 3.88Å; A63-L68 HydrophobicContact CB-CG 4.33Å; T64-L68 WeakPolarHBondContact O-CG 3.42Å; T64-L68 PolarHBondContact O-N 2.8Å; S65-L68 WeakPolarHBondContact O-CB 3.46Å; S65-L68 PolarHBondContact O-N 2.9Å; P66-L68 PolarHBondContact O-N 3.38Å; L68-T71 PolarHBondContact O-N 3.22Å; L68-Y72 WeakPolarHBondContact O-CB 3.29Å; L68-Y72 PolarHBondContact O-N 3.24Å; L68-V100 HydrophobicContact CD2-CB 4.06Å; L68-V100 HydrophobicContact CD2-CG1 4.14Å; L68-V100 HydrophobicContact CD2-CG2 3.79Å; L68-D103 HydrophobicContact CD1-CB 4.08Å
69	D	97.2	Very high	91.5	Very high	67 Å²	67	50.5 Å²	50.5	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-65.5	-40.4	176.5	-77.9	-30.7	0	0	0	113	S65 P66 Y72 K73 R107	S65-D69 PolarHBondContact O-N 3Å; S65-D69 VanDerWaalsContact O-N 3.09Å; P66-D69 WeakPolarHBondContact O-CB 3Å; P66-D69 PolarHBondContact O-N 2.95Å; D69-Y72 PolarHBondContact O-N 2.83Å; D69-K73 WeakPolarHBondContact O-CB 3.26Å; D69-K73 VanDerWaalsContact O-CG 3.29Å; D69-K73 WeakPolarHBondContact O-CG 3.44Å; D69-K73 PolarHBondContact O-N 3.09Å; D69-R107 IonicContact OD1-CZ 2.82Å; D69-R107 VanDerWaalsContact OD1-CZ 3.24Å; D69-R107 IonicContact OD1-NH1 3.74Å; D69-R107 PolarHBondContact OD1-NH1 2.81Å; D69-R107 IonicContact OD1-NH2 3.46Å; D69-R107 PolarHBondContact OD1-NH2 3.46Å
70	Y	97.7	Very high	92.9	Very high	50 Å²	50	49 Å²	49	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-41.6	175.3	-62.7	-26.6	0	0	0	111.9	P66 Q67 Y72 K73 L74 I204 D206 H209	P66-Y70 HydrophobicContact CB-CE2 4.2Å; P66-Y70 VanDerWaalsContact O-CD2 3.29Å; P66-Y70 WeakPolarHBondContact O-CD2 3.27Å; P66-Y70 VanDerWaalsContact O-CG 3.22Å; P66-Y70 PolarHBondContact O-N 2.97Å; Q67-Y70 PolarHBondContact O-N 2.84Å; Y70-Y72 VanDerWaalsContact C-N 3.34Å; Y70-Y72 PolarHBondContact O-N 3.17Å; Y70-K73 HydrophobicContact CD1-CD 4.39Å; Y70-K73 PolarHBondContact O-N 2.92Å; Y70-L74 WeakPolarHBondContact O-CG 3.46Å; Y70-L74 PolarHBondContact O-N 3.34Å; Y70-I204 HydrophobicContact CD1-CD1 3.88Å; Y70-I204 HydrophobicContact CD1-CG2 3.79Å; Y70-I204 HydrophobicContact CD2-CG2 3.86Å; Y70-I204 HydrophobicContact CE1-CG2 3.95Å; Y70-I204 HydrophobicContact CE2-CG2 4.03Å; Y70-I204 HydrophobicContact CG-CB 4.24Å; Y70-I204 HydrophobicContact CG-CD1 4.07Å; Y70-I204 HydrophobicContact CG-CG2 3.74Å; Y70-D206 HydrophobicContact CE2-CB 3.73Å; Y70-D206 WeakPolarHBondContact CE2-OD2 3.27Å; Y70-D206 PolarHBondContact OH-OD2 3.45Å; Y70-H209 HydrophobicContact CD2-CB 4.38Å; Y70-H209 WeakPolarHBondContact CD2-O 3.33Å; Y70-H209 HydrophobicContact CE2-CB 4.13Å
71	T	97.5	Very high	94.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.5	-48.6	172.7	-60.2	0	0	0	0	110.6	Q67 L68 K73 L74 L75 L104 L163 I189	Q67-T71 VanDerWaalsContact O-CB 3.31Å; Q67-T71 WeakPolarHBondContact O-CB 3.49Å; Q67-T71 PolarHBondContact O-N 2.96Å; Q67-T71 PolarHBondContact O-OG1 3.25Å; L68-T71 PolarHBondContact O-N 3.22Å; T71-K73 PolarHBondContact O-N 3.16Å; T71-L74 PolarHBondContact O-N 2.9Å; T71-L75 HydrophobicContact CG2-CD1 3.92Å; T71-L75 HydrophobicContact CG2-CG 4.45Å; T71-L75 WeakPolarHBondContact O-CB 3.32Å; T71-L75 WeakPolarHBondContact O-CG 3.25Å; T71-L75 PolarHBondContact O-N 2.9Å; T71-L104 HydrophobicContact CG2-CD1 4.11Å; T71-L104 HydrophobicContact CG2-CD2 4.25Å; T71-L163 HydrophobicContact CG2-CD2 4.46Å; T71-I189 HydrophobicContact CG2-CG2 4.12Å
72	Y	97.4	Very high	95.1	Very high	49 Å²	49	46.9 Å²	46.9	19%	0.192	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-46.3	175.4	166.4	-104.1	0	0	0	112.6	L68 D69 Y70 L74 L75 K76 R107 T109 L110	L68-Y72 WeakPolarHBondContact O-CB 3.29Å; L68-Y72 PolarHBondContact O-N 3.24Å; D69-Y72 PolarHBondContact O-N 2.83Å; Y70-Y72 VanDerWaalsContact C-N 3.34Å; Y70-Y72 PolarHBondContact O-N 3.17Å; Y72-L74 PolarHBondContact O-N 2.79Å; Y72-L75 PolarHBondContact O-N 2.93Å; Y72-K76 VanDerWaalsContact O-CB 3.28Å; Y72-K76 WeakPolarHBondContact O-CB 3.34Å; Y72-K76 PolarHBondContact O-N 3.36Å; Y72-R107 HydrophobicContact CD2-CB 4.19Å; Y72-R107 HydrophobicContact CD2-CG 4.28Å; Y72-R107 HydrophobicContact CE2-CB 3.97Å; Y72-R107 HydrophobicContact CE2-CG 4.38Å; Y72-R107 VanDerWaalsContact CG-CD 3.44Å; Y72-R107 VanDerWaalsContact CG-NH1 3.26Å; Y72-T109 VanDerWaalsContact CE2-OG1 3.25Å; Y72-T109 WeakPolarHBondContact CE2-OG1 3.29Å; Y72-T109 PolarHBondContact OH-OG1 3.48Å; Y72-L110 HydrophobicContact CD2-CD1 3.95Å; Y72-L110 HydrophobicContact CD2-CD2 4.08Å; Y72-L110 HydrophobicContact CD2-CG 3.99Å; Y72-L110 HydrophobicContact CE2-CD1 4.37Å; Y72-L110 HydrophobicContact CE2-CD2 3.92Å; Y72-L110 HydrophobicContact CE2-CG 3.9Å
73	K	97.8	Very high	95.6	Very high	118 Å²	118	52.4 Å²	52.4	51%	0.513	27%	0.27	S	S	.	.	H	α-helix	trans	-60	-44.4	178.9	-76.2	171.4	-176.8	174.5	0	111.7	D69 Y70 T71 K76 Y77 I204	D69-K73 WeakPolarHBondContact O-CB 3.26Å; D69-K73 VanDerWaalsContact O-CG 3.29Å; D69-K73 WeakPolarHBondContact O-CG 3.44Å; D69-K73 PolarHBondContact O-N 3.09Å; Y70-K73 HydrophobicContact CD1-CD 4.39Å; Y70-K73 PolarHBondContact O-N 2.92Å; T71-K73 PolarHBondContact O-N 3.16Å; K73-K76 PolarHBondContact O-N 2.77Å; K73-Y77 WeakPolarHBondContact O-CB 3.46Å; K73-Y77 PolarHBondContact O-N 3.02Å; K73-I204 HydrophobicContact CB-CD1 4.3Å
74	L	98	Very high	95.8	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-69	-40.8	178.9	-71.2	179.6	0	0	0	112.4	Y70 T71 Y72 K76 Y77 A78 I189 K202 I204 V211 L213	Y70-L74 WeakPolarHBondContact O-CG 3.46Å; Y70-L74 PolarHBondContact O-N 3.34Å; T71-L74 PolarHBondContact O-N 2.9Å; Y72-L74 PolarHBondContact O-N 2.79Å; L74-K76 VanDerWaalsContact C-N 3.35Å; L74-Y77 WeakPolarHBondContact O-CB 3.41Å; L74-Y77 PolarHBondContact O-N 2.92Å; L74-A78 WeakPolarHBondContact O-CB 3.25Å; L74-A78 PolarHBondContact O-N 2.87Å; L74-I189 HydrophobicContact CB-CD1 3.8Å; L74-I189 HydrophobicContact CD1-CD1 4.42Å; L74-K202 HydrophobicContact CD2-CB 3.9Å; L74-K202 HydrophobicContact CD2-CG 3.62Å; L74-I204 HydrophobicContact CD2-CD1 4.25Å; L74-I204 HydrophobicContact CD2-CG1 4.24Å; L74-I204 HydrophobicContact CG-CD1 4.06Å; L74-I204 HydrophobicContact CG-CG1 4.35Å; L74-V211 HydrophobicContact CD1-CB 3.84Å; L74-V211 HydrophobicContact CD1-CG1 3.68Å; L74-V211 WeakPolarHBondContact CD1-O 3.46Å; L74-L213 HydrophobicContact CB-CB 4.31Å; L74-L213 HydrophobicContact CD1-CB 4.21Å; L74-L213 HydrophobicContact CD2-CB 4.33Å
75	L	97.7	Very high	95.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-40.7	173.2	-74.6	173.1	0	0	0	111.8	T71 Y72 Y77 A78 Q79 L87 L104 L110 T161 L163 I187 I189	T71-L75 HydrophobicContact CG2-CD1 3.92Å; T71-L75 HydrophobicContact CG2-CG 4.45Å; T71-L75 WeakPolarHBondContact O-CB 3.32Å; T71-L75 WeakPolarHBondContact O-CG 3.25Å; T71-L75 PolarHBondContact O-N 2.9Å; Y72-L75 PolarHBondContact O-N 2.93Å; L75-Y77 VanDerWaalsContact C-N 3.3Å; L75-Y77 PolarHBondContact O-N 3.27Å; L75-A78 PolarHBondContact O-N 3.45Å; L75-Q79 VanDerWaalsContact O-CB 3.27Å; L75-Q79 WeakPolarHBondContact O-CB 3.46Å; L75-Q79 PolarHBondContact O-N 2.81Å; L75-L87 HydrophobicContact CB-CD1 4.08Å; L75-L87 HydrophobicContact CD2-CD1 4.24Å; L75-L87 HydrophobicContact CD2-CD2 4.15Å; L75-L104 HydrophobicContact CD1-CD1 3.61Å; L75-L104 HydrophobicContact CD1-CD2 3.84Å; L75-L104 HydrophobicContact CD1-CG 4.34Å; L75-L110 HydrophobicContact CB-CD2 4.45Å; L75-L110 HydrophobicContact CD1-CD1 4.43Å; L75-T161 HydrophobicContact CD2-CG2 3.79Å; L75-L163 HydrophobicContact CD1-CD2 4.07Å; L75-L163 HydrophobicContact CD2-CD2 4.2Å; L75-I187 HydrophobicContact CD2-CG2 4.36Å; L75-I189 HydrophobicContact CD2-CD1 4.33Å; L75-I189 HydrophobicContact CD2-CG1 3.69Å; L75-I189 HydrophobicContact CG-CD1 4.45Å; L75-I189 HydrophobicContact CG-CG1 4.03Å
76	K	97.1	Very high	96	Very high	75 Å²	75	57.4 Å²	57.4	33%	0.326	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-38.2	176.9	-171.9	60.7	175.1	172.8	0	111.6	Y72 K73 L74 S80 T109 L110	Y72-K76 VanDerWaalsContact O-CB 3.28Å; Y72-K76 WeakPolarHBondContact O-CB 3.34Å; Y72-K76 PolarHBondContact O-N 3.36Å; K73-K76 PolarHBondContact O-N 2.77Å; L74-K76 VanDerWaalsContact C-N 3.35Å; K76-S80 PolarHBondContact O-N 3.39Å; K76-S80 VanDerWaalsContact O-N 3.12Å; K76-T109 PolarHBondContact NZ-O 2.92Å; K76-L110 HydrophobicContact CB-CD2 4.28Å; K76-L110 HydrophobicContact CD-CD2 4.1Å
77	Y	97.4	Very high	96	Very high	95 Å²	95	55 Å²	55	37%	0.373	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-50.5	171.1	172.1	-99.4	0	0	0	111.2	K73 L74 L75 Q79 S80 Q81 K202 L213	K73-Y77 WeakPolarHBondContact O-CB 3.46Å; K73-Y77 PolarHBondContact O-N 3.02Å; L74-Y77 WeakPolarHBondContact O-CB 3.41Å; L74-Y77 PolarHBondContact O-N 2.92Å; L75-Y77 VanDerWaalsContact C-N 3.3Å; L75-Y77 PolarHBondContact O-N 3.27Å; Y77-Q79 VanDerWaalsContact C-N 3.29Å; Y77-Q79 PolarHBondContact O-N 2.87Å; Y77-S80 PolarHBondContact O-N 3.36Å; Y77-S80 PolarHBondContact O-OG 3.32Å; Y77-Q81 HydrophobicContact CE1-CG 4.23Å; Y77-Q81 HydrophobicContact CE2-CG 4.42Å; Y77-Q81 WeakPolarHBondContact O-CG 3.27Å; Y77-Q81 PolarHBondContact O-N 3.46Å; Y77-K202 HydrophobicContact CE1-CB 4.32Å; Y77-L213 HydrophobicContact CD1-CD2 3.65Å; Y77-L213 HydrophobicContact CE1-CD2 4.04Å
78	A	97.1	Very high	96	Very high	8 Å²	8	54.8 Å²	54.8	7%	0.066	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-40.8	179.1	0	0	0	0	0	112.1	L74 L75 S80 Q81 K82 I187 L213	L74-A78 WeakPolarHBondContact O-CB 3.25Å; L74-A78 PolarHBondContact O-N 2.87Å; L75-A78 PolarHBondContact O-N 3.45Å; A78-S80 VanDerWaalsContact C-N 3.3Å; A78-S80 PolarHBondContact O-N 2.94Å; A78-Q81 WeakPolarHBondContact O-CB 3.31Å; A78-Q81 PolarHBondContact O-N 3.47Å; A78-Q81 VanDerWaalsContact O-N 3.14Å; A78-K82 PolarHBondContact O-N 2.9Å; A78-I187 HydrophobicContact CB-CD1 3.71Å; A78-I187 HydrophobicContact CB-CG1 4.14Å; A78-I187 HydrophobicContact CB-CG2 4.07Å; A78-L213 HydrophobicContact CB-CD1 3.86Å; A78-L213 HydrophobicContact CB-CD2 4.04Å
79	Q	96.1	Very high	96	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-38.6	173.9	-172.4	-175.9	-61.7	0	0	111.8	L75 Y77 Q81 K82 K85 L87 T109 L110	L75-Q79 VanDerWaalsContact O-CB 3.27Å; L75-Q79 WeakPolarHBondContact O-CB 3.46Å; L75-Q79 PolarHBondContact O-N 2.81Å; Y77-Q79 VanDerWaalsContact C-N 3.29Å; Y77-Q79 PolarHBondContact O-N 2.87Å; Q79-Q81 PolarHBondContact O-N 3.24Å; Q79-K82 PolarHBondContact O-N 3.47Å; Q79-K85 VanDerWaalsContact CD-O 3.23Å; Q79-K85 VanDerWaalsContact CG-C 3.42Å; Q79-K85 WeakPolarHBondContact CG-O 3.36Å; Q79-K85 PolarHBondContact NE2-O 2.9Å; Q79-K85 WeakPolarHBondContact O-CA 3.3Å; Q79-L87 HydrophobicContact CB-CD2 3.95Å; Q79-L87 HydrophobicContact CB-CG 4.11Å; Q79-L87 HydrophobicContact CG-CG 4.35Å; Q79-T109 PolarHBondContact NE2-O 2.9Å; Q79-L110 VanDerWaalsContact OE1-CA 3.3Å
80	S	95.9	Very high	95.9	Very high	70 Å²	70	52 Å²	52	49%	0.49	25%	0.254	S	S	.	.	H	α-helix	trans	-69.6	-22.7	178.9	80.6	0	0	0	0	113.1	K76 Y77 A78	K76-S80 PolarHBondContact O-N 3.39Å; K76-S80 VanDerWaalsContact O-N 3.12Å; Y77-S80 PolarHBondContact O-N 3.36Å; Y77-S80 PolarHBondContact O-OG 3.32Å; A78-S80 VanDerWaalsContact C-N 3.3Å; A78-S80 PolarHBondContact O-N 2.94Å
81	Q	94.9	Very high	95.9	Very high	117 Å²	117	49.6 Å²	49.6	55%	0.547	25%	0.245	S	C	.	.	H	α-helix	trans	-82.3	-12.9	176.1	-57.7	-53.2	-68.1	0	0	113.5	Y77 A78 Q79	Y77-Q81 HydrophobicContact CE1-CG 4.23Å; Y77-Q81 HydrophobicContact CE2-CG 4.42Å; Y77-Q81 WeakPolarHBondContact O-CG 3.27Å; Y77-Q81 PolarHBondContact O-N 3.46Å; A78-Q81 WeakPolarHBondContact O-CB 3.31Å; A78-Q81 PolarHBondContact O-N 3.47Å; A78-Q81 VanDerWaalsContact O-N 3.14Å; Q79-Q81 PolarHBondContact O-N 3.24Å
82	K	94.1	Very high	95.9	Very high	49 Å²	49	49.7 Å²	49.7	21%	0.213	25%	0.246	C	C	.	.	S	Bend	trans	-87.3	141.3	177.3	-76.5	-161.6	150	-179.7	0	111.6	A78 Q79 D84 K85 S86 G185 I187	A78-K82 PolarHBondContact O-N 2.9Å; Q79-K82 PolarHBondContact O-N 3.47Å; K82-D84 WeakPolarHBondContact CB-OD1 3.41Å; K82-D84 PolarHBondContact O-N 2.78Å; K82-K85 WeakPolarHBondContact O-CA 3.28Å; K82-K85 WeakPolarHBondContact O-CG 3.32Å; K82-K85 PolarHBondContact O-N 3.42Å; K82-S86 WeakPolarHBondContact CD-O 3.39Å; K82-G185 WeakPolarHBondContact CE-O 3.2Å; K82-G185 PolarHBondContact NZ-O 3.06Å; K82-I187 HydrophobicContact CD-CD1 4.05Å
83	N	92.3	Very high	95.8	Very high	171 Å²	171	47.5 Å²	47.5	91%	0.914	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-43.8	-179	-68.7	-29.9	0	0	0	112.6	K85	N83-K85 PolarHBondContact O-N 2.82Å
84	D	93.2	Very high	95.6	Very high	104 Å²	104	43.2 Å²	43.2	56%	0.556	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6	177.2	67.1	-15.2	0	0	0	113.1	K82 S86	K82-D84 WeakPolarHBondContact CB-OD1 3.41Å; K82-D84 PolarHBondContact O-N 2.78Å; D84-S86 PolarHBondContact O-N 2.94Å; D84-S86 PolarHBondContact OD1-N 2.73Å; D84-S86 VanDerWaalsContact OD1-N 3.12Å; D84-S86 VanDerWaalsContact OD2-CB 3.25Å; D84-S86 WeakPolarHBondContact OD2-CB 3.4Å
85	K	93.6	Very high	95.3	Very high	126 Å²	126	43.2 Å²	43.2	55%	0.548	23%	0.227	S	C	.	.			trans	51	34.7	-174.4	-58.7	178.8	-179.7	175.6	0	112.5	Q79 K82 N83	Q79-K85 VanDerWaalsContact CD-O 3.23Å; Q79-K85 VanDerWaalsContact CG-C 3.42Å; Q79-K85 WeakPolarHBondContact CG-O 3.36Å; Q79-K85 PolarHBondContact NE2-O 2.9Å; Q79-K85 WeakPolarHBondContact O-CA 3.3Å; K82-K85 WeakPolarHBondContact O-CA 3.28Å; K82-K85 WeakPolarHBondContact O-CG 3.32Å; K82-K85 PolarHBondContact O-N 3.42Å; N83-K85 PolarHBondContact O-N 2.82Å
86	S	94.5	Very high	95.1	Very high	16 Å²	16	43.4 Å²	43.4	11%	0.112	23%	0.229	C	C	.	.			trans	-114.7	148.4	178.8	-165.8	0	0	0	0	111.2	K82 D84 G88 K111	K82-S86 WeakPolarHBondContact CD-O 3.39Å; D84-S86 PolarHBondContact O-N 2.94Å; D84-S86 PolarHBondContact OD1-N 2.73Å; D84-S86 VanDerWaalsContact OD1-N 3.12Å; D84-S86 VanDerWaalsContact OD2-CB 3.25Å; D84-S86 WeakPolarHBondContact OD2-CB 3.4Å; S86-G88 VanDerWaalsContact C-N 3.33Å; S86-G88 PolarHBondContact OG-N 2.95Å; S86-G88 VanDerWaalsContact OG-N 3.16Å; S86-K111 PolarHBondContact OG-O 3.49Å
87	L	95.2	Very high	94.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.			trans	-87.7	-8.2	167.5	-67.4	173.8	0	0	0	112.2	L75 Q79 I90 L110 K111 I112 D160 T161 I187	L75-L87 HydrophobicContact CB-CD1 4.08Å; L75-L87 HydrophobicContact CD2-CD1 4.24Å; L75-L87 HydrophobicContact CD2-CD2 4.15Å; Q79-L87 HydrophobicContact CB-CD2 3.95Å; Q79-L87 HydrophobicContact CB-CG 4.11Å; Q79-L87 HydrophobicContact CG-CG 4.35Å; L87-I90 HydrophobicContact CB-CD1 4.04Å; L87-I90 HydrophobicContact CB-CG1 4.3Å; L87-I90 HydrophobicContact CD1-CD1 4.02Å; L87-L110 HydrophobicContact CD1-CB 4.28Å; L87-L110 HydrophobicContact CD1-CD1 4.19Å; L87-L110 HydrophobicContact CD1-CD2 4.03Å; L87-L110 HydrophobicContact CD1-CG 4.39Å; L87-K111 PolarHBondContact N-O 2.99Å; L87-I112 HydrophobicContact CD1-CG1 4.35Å; L87-D160 WeakPolarHBondContact O-CB 3.3Å; L87-T161 PolarHBondContact O-OG1 3.35Å; L87-I187 HydrophobicContact CD2-CD1 3.86Å
88	G	94.7	Very high	94.7	Very high	7 Å²	7	36 Å²	36	7%	0.072	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.3	-137.8	179.6	0	0	0	0	0	112.3	S86 T113 D160	S86-G88 VanDerWaalsContact C-N 3.33Å; S86-G88 PolarHBondContact OG-N 2.95Å; S86-G88 VanDerWaalsContact OG-N 3.16Å; G88-T113 PolarHBondContact O-N 2.75Å; G88-D160 WeakPolarHBondContact CA-OD2 3.14Å
89	S	96.1	Very high	94.5	Very high	23 Å²	23	39.6 Å²	39.6	16%	0.161	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.6	176.6	-62.6	0	0	0	0	111.1	S114 D160 T161	S89-S114 WeakPolarHBondContact CA-O 3.48Å; S89-S114 VanDerWaalsContact CB-OG 3.25Å; S89-S114 WeakPolarHBondContact CB-OG 3.31Å; S89-S114 PolarHBondContact OG-OG 3.16Å; S89-D160 PolarHBondContact N-OD2 3.35Å; S89-D160 PolarHBondContact O-N 3.04Å; S89-T161 PolarHBondContact O-N 3.4Å; S89-T161 VanDerWaalsContact O-N 3.09Å
90	I	96.8	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.9	-179.5	-59	-177.1	0	0	0	110.3	L87 L101 I112 S114 A115 H116 T161 L163	L87-I90 HydrophobicContact CB-CD1 4.04Å; L87-I90 HydrophobicContact CB-CG1 4.3Å; L87-I90 HydrophobicContact CD1-CD1 4.02Å; I90-L101 HydrophobicContact CG2-CD1 4.04Å; I90-I112 HydrophobicContact CB-CG2 4.45Å; I90-I112 HydrophobicContact CD1-CB 4.27Å; I90-I112 HydrophobicContact CD1-CD1 3.56Å; I90-I112 HydrophobicContact CD1-CG1 3.54Å; I90-I112 HydrophobicContact CD1-CG2 3.79Å; I90-I112 HydrophobicContact CG1-CG1 4.5Å; I90-I112 HydrophobicContact CG1-CG2 3.95Å; I90-S114 PolarHBondContact N-O 2.84Å; I90-A115 CarbonylContact O-C 3.57Å; I90-A115 WeakPolarHBondContact O-CA 3.47Å; I90-H116 PolarHBondContact O-N 2.85Å; I90-T161 CarbonylContact C-O 3.53Å; I90-T161 VanDerWaalsContact CA-O 3.31Å; I90-T161 WeakPolarHBondContact CA-O 3.1Å; I90-T161 HydrophobicContact CD1-CG2 4.45Å; I90-T161 HydrophobicContact CG1-CG2 4.07Å; I90-T161 HydrophobicContact CG2-CG2 4.35Å; I90-L163 HydrophobicContact CG2-CD1 3.9Å; I90-L163 HydrophobicContact CG2-CG 3.99Å
91	I	97.6	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.6	166.4	-175.8	164.3	0	0	0	111.6	L93 H116 V118 T154 L156 Y159 T161 V162 L163	I91-L93 HydrophobicContact CD1-CD2 3.66Å; I91-L93 HydrophobicContact CG1-CD2 3.84Å; I91-L93 HydrophobicContact CG1-CG 4.5Å; I91-H116 CarbonylContact C-O 3.59Å; I91-H116 VanDerWaalsContact CA-O 3.25Å; I91-H116 WeakPolarHBondContact CA-O 3.44Å; I91-H116 WeakPolarHBondContact CG1-O 3.44Å; I91-V118 HydrophobicContact CD1-CG1 4.02Å; I91-V118 HydrophobicContact CD1-CG2 4.23Å; I91-V118 HydrophobicContact CG1-CG2 4.42Å; I91-T154 HydrophobicContact CD1-CG2 3.67Å; I91-L156 HydrophobicContact CD1-CD2 4.21Å; I91-L156 HydrophobicContact CG2-CD2 4.39Å; I91-Y159 HydrophobicContact CB-CD1 3.7Å; I91-Y159 HydrophobicContact CB-CD2 3.91Å; I91-Y159 HydrophobicContact CB-CE1 3.94Å; I91-Y159 HydrophobicContact CB-CE2 4.14Å; I91-Y159 HydrophobicContact CB-CG 3.7Å; I91-Y159 HydrophobicContact CD1-CD2 3.97Å; I91-Y159 HydrophobicContact CD1-CE1 4.42Å; I91-Y159 HydrophobicContact CD1-CE2 3.52Å; I91-Y159 HydrophobicContact CG1-CE2 4.38Å; I91-Y159 HydrophobicContact CG2-CD1 4.12Å; I91-Y159 HydrophobicContact CG2-CD2 3.74Å; I91-Y159 HydrophobicContact CG2-CE2 4.38Å; I91-Y159 HydrophobicContact CG2-CG 3.6Å; I91-T161 PolarHBondContact N-O 2.93Å; I91-V162 HydrophobicContact CG2-CB 4.18Å; I91-V162 HydrophobicContact CG2-CG1 4.16Å; I91-V162 HydrophobicContact CG2-CG2 3.74Å; I91-L163 PolarHBondContact O-N 3.06Å
92	D	96.9	Very high	94.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	105.9	172.4	-173.8	13.8	0	0	0	109.5	G94 S95 L101 H116 V118	D92-G94 PolarHBondContact O-N 3.41Å; D92-S95 WeakPolarHBondContact OD2-CA 3.28Å; D92-S95 WeakPolarHBondContact OD2-CB 3.48Å; D92-L101 HydrophobicContact CB-CB 4.44Å; D92-L101 HydrophobicContact CB-CD1 4.39Å; D92-L101 HydrophobicContact CB-CD2 4.46Å; D92-H116 PolarHBondContact N-O 3.4Å; D92-V118 WeakPolarHBondContact O-CG2 3.4Å; D92-V118 PolarHBondContact O-N 2.96Å
93	L	95.5	Very high	94.2	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	106.8	-177.1	-62.2	-179	0	0	0	110.3	I91 V118 M151 L156 V162 L163 L164	I91-L93 HydrophobicContact CD1-CD2 3.66Å; I91-L93 HydrophobicContact CG1-CD2 3.84Å; I91-L93 HydrophobicContact CG1-CG 4.5Å; L93-V118 HydrophobicContact CD2-CG2 3.68Å; L93-M151 HydrophobicContact CB-CB 4.48Å; L93-M151 HydrophobicContact CD2-CB 4.14Å; L93-L156 HydrophobicContact CD1-CD1 4.33Å; L93-L156 HydrophobicContact CD1-CD2 4.21Å; L93-L156 HydrophobicContact CD2-CD2 3.84Å; L93-V162 HydrophobicContact CD1-CG1 3.51Å; L93-V162 HydrophobicContact CG-CG1 3.89Å; L93-L163 PolarHBondContact N-O 2.9Å; L93-L164 HydrophobicContact CB-CD1 3.81Å; L93-L164 HydrophobicContact CD1-CD1 4.2Å
94	G	92.4	Very high	94.3	Very high	29 Å²	29	23.1 Å²	23.1	30%	0.299	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	52.5	-172.7	0	0	0	0	0	111.1	D92 G96 V118	D92-G94 PolarHBondContact O-N 3.41Å; G94-G96 PolarHBondContact O-N 2.86Å; G94-V118 CarbonylContact C-O 3.6Å; G94-V118 VanDerWaalsContact CA-O 3.26Å; G94-V118 WeakPolarHBondContact CA-O 3.29Å; G94-V118 PolarHBondContact N-O 3.12Å
95	S	93.1	Very high	94.2	Very high	5 Å²	5	19 Å²	19	4%	0.035	10%	0.102	C	C	.	.			trans	-63.2	-16.9	-170.9	64	0	0	0	0	114.3	D92 D97 G98 V118	D92-S95 WeakPolarHBondContact OD2-CA 3.28Å; D92-S95 WeakPolarHBondContact OD2-CB 3.48Å; S95-D97 PolarHBondContact O-N 2.96Å; S95-G98 WeakPolarHBondContact O-CA 3.2Å; S95-G98 PolarHBondContact O-N 3.38Å; S95-V118 PolarHBondContact N-O 2.9Å
96	G	92.1	Very high	94.1	Very high	4 Å²	4	14.6 Å²	14.6	4%	0.041	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-121.6	177.4	0	0	0	0	0	112.2	G94 G98 E119 L124 S128	G94-G96 PolarHBondContact O-N 2.86Å; G96-G98 PolarHBondContact O-N 2.92Å; G96-E119 WeakPolarHBondContact CA-OE2 3.5Å; G96-E119 PolarHBondContact N-OE2 3.28Å; G96-E119 VanDerWaalsContact N-OE2 3.1Å; G96-L124 WeakPolarHBondContact O-CB 3.31Å; G96-S128 PolarHBondContact O-OG 3.32Å
97	D	92.2	Very high	93.9	Very high	14 Å²	14	16 Å²	16	8%	0.075	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	4	177.7	78.1	-24.3	0	0	0	113.8	F60 S95 R99 Y127 S128 K131	F60-D97 HydrophobicContact CE2-CB 4.32Å; F60-D97 HydrophobicContact CZ-CB 3.97Å; S95-D97 PolarHBondContact O-N 2.96Å; D97-R99 PolarHBondContact O-N 2.85Å; D97-R99 VanDerWaalsContact OD1-CB 3.24Å; D97-R99 WeakPolarHBondContact OD1-CB 3.46Å; D97-R99 WeakPolarHBondContact OD1-CG 3.45Å; D97-R99 PolarHBondContact OD1-N 2.86Å; D97-R99 VanDerWaalsContact OD1-N 3.1Å; D97-R99 IonicContact OD1-NE 3.27Å; D97-R99 PolarHBondContact OD1-NE 2.9Å; D97-R99 IonicContact OD2-CZ 3.41Å; D97-R99 IonicContact OD2-NE 2.86Å; D97-R99 PolarHBondContact OD2-NE 3.1Å; D97-R99 IonicContact OD2-NH2 3.08Å; D97-R99 PolarHBondContact OD2-NH2 2.93Å; D97-R99 VanDerWaalsContact OD2-NH2 3.08Å; D97-Y127 HydrophobicContact CB-CD1 4Å; D97-Y127 HydrophobicContact CB-CE1 3.79Å; D97-S128 PolarHBondContact O-OG 3.39Å; D97-K131 IonicContact OD2-NZ 3.86Å
98	G	93.6	Very high	93.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	73.1	8.1	179.9	0	0	0	0	0	114.4	S95 G96 V100 I102 S128	S95-G98 WeakPolarHBondContact O-CA 3.2Å; S95-G98 PolarHBondContact O-N 3.38Å; G96-G98 PolarHBondContact O-N 2.92Å; G98-V100 VanDerWaalsContact C-N 3.33Å; G98-V100 PolarHBondContact O-N 2.93Å; G98-I102 WeakPolarHBondContact O-CB 3.43Å; G98-I102 WeakPolarHBondContact O-CD1 3.41Å; G98-I102 WeakPolarHBondContact O-CG1 3.49Å; G98-I102 PolarHBondContact O-N 2.74Å; G98-S128 PolarHBondContact N-OG 3.04Å
99	R	93.6	Very high	93.2	Very high	84 Å²	84	24.4 Å²	24.4	32%	0.317	14%	0.142	S	C	.	.	H	α-helix	trans	-61.2	-37.9	-173.5	69.2	178.1	41.3	-152.6	-12.5	113.9	A63 D97 D103	A63-R99 HydrophobicContact CB-CG 4.35Å; A63-R99 WeakPolarHBondContact O-CD 3.18Å; A63-R99 PolarHBondContact O-NH1 2.9Å; D97-R99 PolarHBondContact O-N 2.85Å; D97-R99 VanDerWaalsContact OD1-CB 3.24Å; D97-R99 WeakPolarHBondContact OD1-CB 3.46Å; D97-R99 WeakPolarHBondContact OD1-CG 3.45Å; D97-R99 PolarHBondContact OD1-N 2.86Å; D97-R99 VanDerWaalsContact OD1-N 3.1Å; D97-R99 IonicContact OD1-NE 3.27Å; D97-R99 PolarHBondContact OD1-NE 2.9Å; D97-R99 IonicContact OD2-CZ 3.41Å; D97-R99 IonicContact OD2-NE 2.86Å; D97-R99 PolarHBondContact OD2-NE 3.1Å; D97-R99 IonicContact OD2-NH2 3.08Å; D97-R99 PolarHBondContact OD2-NH2 2.93Å; D97-R99 VanDerWaalsContact OD2-NH2 3.08Å; R99-D103 VanDerWaalsContact O-CB 3.25Å; R99-D103 WeakPolarHBondContact O-CB 3.39Å; R99-D103 PolarHBondContact O-N 3.45Å
100	V	94.6	Very high	93	Very high	7 Å²	7	24 Å²	24	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-55.5	-175.7	178.2	0	0	0	0	108.7	A63 L68 G98 I102 D103 L104 L163 F165	A63-V100 HydrophobicContact CB-CG2 3.57Å; L68-V100 HydrophobicContact CD2-CB 4.06Å; L68-V100 HydrophobicContact CD2-CG1 4.14Å; L68-V100 HydrophobicContact CD2-CG2 3.79Å; G98-V100 VanDerWaalsContact C-N 3.33Å; G98-V100 PolarHBondContact O-N 2.93Å; V100-I102 PolarHBondContact O-N 3.46Å; V100-D103 PolarHBondContact O-N 3.28Å; V100-L104 HydrophobicContact CG1-CD1 4.03Å; V100-L104 VanDerWaalsContact O-CG 3.29Å; V100-L104 WeakPolarHBondContact O-CG 3.38Å; V100-L104 PolarHBondContact O-N 2.99Å; V100-L163 HydrophobicContact CG1-CD1 4.08Å; V100-F165 HydrophobicContact CB-CE2 4.34Å; V100-F165 HydrophobicContact CB-CZ 4.39Å; V100-F165 HydrophobicContact CG1-CD2 4.4Å; V100-F165 HydrophobicContact CG1-CE2 3.57Å; V100-F165 HydrophobicContact CG1-CZ 3.67Å; V100-F165 HydrophobicContact CG2-CD1 4.18Å; V100-F165 HydrophobicContact CG2-CD2 4.2Å; V100-F165 HydrophobicContact CG2-CE1 3.88Å; V100-F165 HydrophobicContact CG2-CE2 3.95Å; V100-F165 HydrophobicContact CG2-CG 4.35Å; V100-F165 HydrophobicContact CG2-CZ 3.77Å
101	L	94.4	Very high	92.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-42.4	-179.2	-161.7	62.8	0	0	0	112.1	I90 D92 L104 L105 A115 F146	I90-L101 HydrophobicContact CG2-CD1 4.04Å; D92-L101 HydrophobicContact CB-CB 4.44Å; D92-L101 HydrophobicContact CB-CD1 4.39Å; D92-L101 HydrophobicContact CB-CD2 4.46Å; L101-L104 PolarHBondContact O-N 2.71Å; L101-L105 HydrophobicContact CG-CD1 3.94Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 WeakPolarHBondContact O-CD1 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.22Å; L101-L105 PolarHBondContact O-N 3.09Å; L101-A115 HydrophobicContact CD1-CB 3.95Å; L101-A115 HydrophobicContact CD2-CB 4.1Å; L101-A115 HydrophobicContact CG-CB 4.16Å; L101-F146 HydrophobicContact CB-CE1 4.47Å; L101-F146 HydrophobicContact CB-CZ 4.33Å; L101-F146 HydrophobicContact CD2-CE1 3.98Å; L101-F146 HydrophobicContact CD2-CZ 4Å
102	I	93.3	Very high	92.6	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-41.5	179	-68.1	168.3	0	0	0	111.6	G98 V100 S106 K131 F146	G98-I102 WeakPolarHBondContact O-CB 3.43Å; G98-I102 WeakPolarHBondContact O-CD1 3.41Å; G98-I102 WeakPolarHBondContact O-CG1 3.49Å; G98-I102 PolarHBondContact O-N 2.74Å; V100-I102 PolarHBondContact O-N 3.46Å; I102-S106 WeakPolarHBondContact O-CB 3.45Å; I102-S106 PolarHBondContact O-N 2.89Å; I102-S106 PolarHBondContact O-OG 2.88Å; I102-K131 HydrophobicContact CD1-CB 4.18Å; I102-K131 HydrophobicContact CD1-CD 3.91Å; I102-K131 HydrophobicContact CD1-CG 3.88Å; I102-F146 HydrophobicContact CD1-CE2 4.5Å; I102-F146 HydrophobicContact CD1-CZ 4.35Å; I102-F146 HydrophobicContact CG1-CE2 4.46Å; I102-F146 HydrophobicContact CG1-CZ 4.16Å
103	D	92.9	Very high	92.5	Very high	48 Å²	48	35 Å²	35	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-62.3	-48.9	176.5	-177.9	78.2	0	0	0	111	L68 R99 V100 L105 S106 R107	L68-D103 HydrophobicContact CD1-CB 4.08Å; R99-D103 VanDerWaalsContact O-CB 3.25Å; R99-D103 WeakPolarHBondContact O-CB 3.39Å; R99-D103 PolarHBondContact O-N 3.45Å; V100-D103 PolarHBondContact O-N 3.28Å; D103-L105 VanDerWaalsContact C-N 3.35Å; D103-L105 PolarHBondContact O-N 3.2Å; D103-S106 WeakPolarHBondContact O-CB 3.31Å; D103-S106 PolarHBondContact O-N 3.42Å; D103-S106 VanDerWaalsContact O-N 3.08Å; D103-R107 WeakPolarHBondContact O-CG 3.32Å; D103-R107 PolarHBondContact O-N 3.43Å; D103-R107 IonicContact OD1-NH2 3.97Å; D103-R107 IonicContact OD2-CZ 3.24Å; D103-R107 VanDerWaalsContact OD2-CZ 3.27Å; D103-R107 IonicContact OD2-NE 2.85Å; D103-R107 PolarHBondContact OD2-NE 3.39Å; D103-R107 IonicContact OD2-NH2 2.69Å; D103-R107 PolarHBondContact OD2-NH2 3.26Å
104	L	93.4	Very high	92.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-43	180	-68.7	175	0	0	0	112.4	T71 L75 V100 L101 S106 R107 L110 L163	T71-L104 HydrophobicContact CG2-CD1 4.11Å; T71-L104 HydrophobicContact CG2-CD2 4.25Å; L75-L104 HydrophobicContact CD1-CD1 3.61Å; L75-L104 HydrophobicContact CD1-CD2 3.84Å; L75-L104 HydrophobicContact CD1-CG 4.34Å; V100-L104 HydrophobicContact CG1-CD1 4.03Å; V100-L104 VanDerWaalsContact O-CG 3.29Å; V100-L104 WeakPolarHBondContact O-CG 3.38Å; V100-L104 PolarHBondContact O-N 2.99Å; L101-L104 PolarHBondContact O-N 2.71Å; L104-S106 VanDerWaalsContact C-N 3.27Å; L104-S106 PolarHBondContact O-N 3.35Å; L104-R107 WeakPolarHBondContact O-CB 3.41Å; L104-R107 PolarHBondContact O-N 2.91Å; L104-L110 HydrophobicContact CB-CD1 4.25Å; L104-L110 HydrophobicContact CD2-CD1 4.07Å; L104-L163 HydrophobicContact CD1-CD1 3.44Å; L104-L163 VanDerWaalsContact CD1-CD1 3.44Å
105	L	92.3	Very high	92.5	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.089	19%	0.189	C	C	.	.	H	α-helix	trans	-69.3	-26.3	177	-71.1	166.2	0	0	0	112.6	L101 D103 R107 I112 A115 L138 V144	L101-L105 HydrophobicContact CG-CD1 3.94Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 WeakPolarHBondContact O-CD1 3.26Å; L101-L105 WeakPolarHBondContact O-CG 3.22Å; L101-L105 PolarHBondContact O-N 3.09Å; D103-L105 VanDerWaalsContact C-N 3.35Å; D103-L105 PolarHBondContact O-N 3.2Å; L105-R107 PolarHBondContact O-N 3.3Å; L105-I112 HydrophobicContact CD2-CB 4.35Å; L105-I112 HydrophobicContact CD2-CD1 3.77Å; L105-I112 HydrophobicContact CD2-CG2 4.18Å; L105-I112 HydrophobicContact CG-CD1 4.46Å; L105-A115 HydrophobicContact CD1-CB 3.8Å; L105-A115 HydrophobicContact CD2-CB 3.93Å; L105-A115 HydrophobicContact CG-CB 4.3Å; L105-L138 VanDerWaalsContact C-CD1 3.41Å; L105-L138 HydrophobicContact CB-CD1 3.4Å; L105-L138 HydrophobicContact CB-CD2 3.74Å; L105-L138 HydrophobicContact CB-CG 3.81Å; L105-L138 HydrophobicContact CD1-CD2 3.63Å; L105-L138 HydrophobicContact CD1-CG 4.35Å; L105-L138 HydrophobicContact CG-CD2 4.35Å; L105-L138 WeakPolarHBondContact O-CD1 3.18Å; L105-V144 HydrophobicContact CD1-CB 4.29Å; L105-V144 HydrophobicContact CD1-CG1 3.75Å; L105-V144 HydrophobicContact CD1-CG2 3.5Å; L105-V144 VanDerWaalsContact CD1-CG2 3.5Å; L105-V144 HydrophobicContact CD2-CG2 4.39Å
106	S	90.4	Very high	92.7	Very high	34 Å²	34	35.6 Å²	35.6	24%	0.238	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.7	175.1	-62	0	0	0	0	113	I102 D103 L104 P108	I102-S106 WeakPolarHBondContact O-CB 3.45Å; I102-S106 PolarHBondContact O-N 2.89Å; I102-S106 PolarHBondContact O-OG 2.88Å; D103-S106 WeakPolarHBondContact O-CB 3.31Å; D103-S106 PolarHBondContact O-N 3.42Å; D103-S106 VanDerWaalsContact O-N 3.08Å; L104-S106 VanDerWaalsContact C-N 3.27Å; L104-S106 PolarHBondContact O-N 3.35Å; S106-P108 WeakPolarHBondContact O-CD 3.42Å
107	R	90.3	Very high	92.9	Very high	47 Å²	47	35.4 Å²	35.4	18%	0.177	19%	0.19	C	C	.	.			trans	-96	102.6	176.6	-61.7	177.8	-168.2	-128.2	-1.8	109.9	D69 Y72 D103 L104 L105 T109 L110	D69-R107 IonicContact OD1-CZ 2.82Å; D69-R107 VanDerWaalsContact OD1-CZ 3.24Å; D69-R107 IonicContact OD1-NH1 3.74Å; D69-R107 PolarHBondContact OD1-NH1 2.81Å; D69-R107 IonicContact OD1-NH2 3.46Å; D69-R107 PolarHBondContact OD1-NH2 3.46Å; Y72-R107 HydrophobicContact CD2-CB 4.19Å; Y72-R107 HydrophobicContact CD2-CG 4.28Å; Y72-R107 HydrophobicContact CE2-CB 3.97Å; Y72-R107 HydrophobicContact CE2-CG 4.38Å; Y72-R107 VanDerWaalsContact CG-CD 3.44Å; Y72-R107 VanDerWaalsContact CG-NH1 3.26Å; D103-R107 WeakPolarHBondContact O-CG 3.32Å; D103-R107 PolarHBondContact O-N 3.43Å; D103-R107 IonicContact OD1-NH2 3.97Å; D103-R107 IonicContact OD2-CZ 3.24Å; D103-R107 VanDerWaalsContact OD2-CZ 3.27Å; D103-R107 IonicContact OD2-NE 2.85Å; D103-R107 PolarHBondContact OD2-NE 3.39Å; D103-R107 IonicContact OD2-NH2 2.69Å; D103-R107 PolarHBondContact OD2-NH2 3.26Å; L104-R107 WeakPolarHBondContact O-CB 3.41Å; L104-R107 PolarHBondContact O-N 2.91Å; L105-R107 PolarHBondContact O-N 3.3Å; R107-T109 PolarHBondContact O-N 3.23Å; R107-L110 PolarHBondContact O-N 2.8Å
108	P	84.5	Confident	93.1	Very high	122 Å²	122	34.8 Å²	34.8	79%	0.792	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.1	-170.4	28.9	-37.2	0	0	0	114.7	S106 L110	S106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-L110 VanDerWaalsContact C-N 3.32Å
109	T	90.6	Very high	93.2	Very high	60 Å²	60	36.2 Å²	36.2	37%	0.368	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.1	-179.5	57.3	0	0	0	0	112.9	Y72 K76 Q79 R107	Y72-T109 VanDerWaalsContact CE2-OG1 3.25Å; Y72-T109 WeakPolarHBondContact CE2-OG1 3.29Å; Y72-T109 PolarHBondContact OH-OG1 3.48Å; K76-T109 PolarHBondContact NZ-O 2.92Å; Q79-T109 PolarHBondContact NE2-O 2.9Å; R107-T109 PolarHBondContact O-N 3.23Å
110	L	92.2	Very high	93.1	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.079	20%	0.199	C	C	.	.	S	Bend	trans	-85.8	131.5	175.7	-63	-173.7	0	0	0	110.1	Y72 L75 K76 Q79 L87 L104 R107 P108 I112	Y72-L110 HydrophobicContact CD2-CD1 3.95Å; Y72-L110 HydrophobicContact CD2-CD2 4.08Å; Y72-L110 HydrophobicContact CD2-CG 3.99Å; Y72-L110 HydrophobicContact CE2-CD1 4.37Å; Y72-L110 HydrophobicContact CE2-CD2 3.92Å; Y72-L110 HydrophobicContact CE2-CG 3.9Å; L75-L110 HydrophobicContact CB-CD2 4.45Å; L75-L110 HydrophobicContact CD1-CD1 4.43Å; K76-L110 HydrophobicContact CB-CD2 4.28Å; K76-L110 HydrophobicContact CD-CD2 4.1Å; Q79-L110 VanDerWaalsContact OE1-CA 3.3Å; L87-L110 HydrophobicContact CD1-CB 4.28Å; L87-L110 HydrophobicContact CD1-CD1 4.19Å; L87-L110 HydrophobicContact CD1-CD2 4.03Å; L87-L110 HydrophobicContact CD1-CG 4.39Å; L104-L110 HydrophobicContact CB-CD1 4.25Å; L104-L110 HydrophobicContact CD2-CD1 4.07Å; R107-L110 PolarHBondContact O-N 2.8Å; P108-L110 VanDerWaalsContact C-N 3.32Å; L110-I112 HydrophobicContact CB-CD1 3.93Å; L110-I112 HydrophobicContact CB-CG1 4.08Å; L110-I112 HydrophobicContact CD1-CD1 4.29Å
111	K	93.2	Very high	92.9	Very high	123 Å²	123	38.3 Å²	38.3	54%	0.535	21%	0.211	S	C	.	.			trans	-96.3	104.9	174.7	-70.9	-168.2	-176.1	-178	0	108.7	S86 L87	S86-K111 PolarHBondContact OG-O 3.49Å; L87-K111 PolarHBondContact N-O 2.99Å
112	I	93.7	Very high	92.9	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.092	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.8	-175.1	-56.5	170.1	0	0	0	107.6	L87 I90 L105 L110 S114 A115 S142	L87-I112 HydrophobicContact CD1-CG1 4.35Å; I90-I112 HydrophobicContact CB-CG2 4.45Å; I90-I112 HydrophobicContact CD1-CB 4.27Å; I90-I112 HydrophobicContact CD1-CD1 3.56Å; I90-I112 HydrophobicContact CD1-CG1 3.54Å; I90-I112 HydrophobicContact CD1-CG2 3.79Å; I90-I112 HydrophobicContact CG1-CG1 4.5Å; I90-I112 HydrophobicContact CG1-CG2 3.95Å; L105-I112 HydrophobicContact CD2-CB 4.35Å; L105-I112 HydrophobicContact CD2-CD1 3.77Å; L105-I112 HydrophobicContact CD2-CG2 4.18Å; L105-I112 HydrophobicContact CG-CD1 4.46Å; L110-I112 HydrophobicContact CB-CD1 3.93Å; L110-I112 HydrophobicContact CB-CG1 4.08Å; L110-I112 HydrophobicContact CD1-CD1 4.29Å; I112-S114 WeakPolarHBondContact CG2-O 3.25Å; I112-A115 HydrophobicContact CG2-CB 4.33Å; I112-S142 PolarHBondContact O-OG 2.97Å; I112-S142 VanDerWaalsContact O-OG 3.1Å
113	T	93.1	Very high	92.8	Very high	91 Å²	91	50 Å²	50	56%	0.558	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	-46.7	-179.9	-56.4	0	0	0	0	110.8	G88	G88-T113 PolarHBondContact O-N 2.75Å
114	S	94.4	Very high	92.8	Very high	28 Å²	28	49.6 Å²	49.6	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.1	176.6	76.9	0	0	0	0	110.1	S89 I90 I112 K143	S89-S114 WeakPolarHBondContact CA-O 3.48Å; S89-S114 VanDerWaalsContact CB-OG 3.25Å; S89-S114 WeakPolarHBondContact CB-OG 3.31Å; S89-S114 PolarHBondContact OG-OG 3.16Å; I90-S114 PolarHBondContact N-O 2.84Å; I112-S114 WeakPolarHBondContact CG2-O 3.25Å; S114-K143 WeakPolarHBondContact CA-O 3.34Å
115	A	95.1	Very high	92.9	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.1	-177.1	0	0	0	0	0	109.6	I90 L101 L105 I112 K143 V144 T145	I90-A115 CarbonylContact O-C 3.57Å; I90-A115 WeakPolarHBondContact O-CA 3.47Å; L101-A115 HydrophobicContact CD1-CB 3.95Å; L101-A115 HydrophobicContact CD2-CB 4.1Å; L101-A115 HydrophobicContact CG-CB 4.16Å; L105-A115 HydrophobicContact CD1-CB 3.8Å; L105-A115 HydrophobicContact CD2-CB 3.93Å; L105-A115 HydrophobicContact CG-CB 4.3Å; I112-A115 HydrophobicContact CG2-CB 4.33Å; A115-K143 PolarHBondContact N-O 3.06Å; A115-V144 HydrophobicContact CB-CG1 4.38Å; A115-V144 HydrophobicContact CB-CG2 4.36Å; A115-V144 CarbonylContact O-C 3.53Å; A115-V144 VanDerWaalsContact O-CA 3.32Å; A115-V144 WeakPolarHBondContact O-CA 3.42Å; A115-T145 PolarHBondContact O-N 3.37Å
116	H	96.7	Very high	93.1	Very high	20 Å²	20	56 Å²	56	9%	0.093	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	115.8	-176.6	-172.1	-159	0	0	0	111.6	I90 I91 D92 T145 S147 Y159	I90-H116 PolarHBondContact O-N 2.85Å; I91-H116 CarbonylContact C-O 3.59Å; I91-H116 VanDerWaalsContact CA-O 3.25Å; I91-H116 WeakPolarHBondContact CA-O 3.44Å; I91-H116 WeakPolarHBondContact CG1-O 3.44Å; D92-H116 PolarHBondContact N-O 3.4Å; H116-T145 CarbonylContact C-O 3.56Å; H116-T145 VanDerWaalsContact CA-O 3.31Å; H116-T145 WeakPolarHBondContact CA-O 3.37Å; H116-T145 PolarHBondContact CD2-O 3.25Å; H116-S147 PolarHBondContact CE1-OG 3.37Å; H116-S147 WeakPolarHBondContact NE2-CB 3.44Å; H116-S147 PolarHBondContact NE2-OG 3.32Å; H116-Y159 HydrophobicContact CB-CE1 3.93Å; H116-Y159 AromaticContact ND1-CZ 3.69Å; H116-Y159 PolarHBondContact ND1-OH 2.87Å
117	G	97	Very high	93.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.7	169.8	0	0	0	0	0	111.2	T145 F146 S147	G117-T145 PolarHBondContact N-O 3.18Å; G117-F146 CarbonylContact O-C 3.56Å; G117-F146 VanDerWaalsContact O-CA 3.32Å; G117-F146 WeakPolarHBondContact O-CA 3.49Å; G117-S147 PolarHBondContact O-N 3.46Å
118	V	96.4	Very high	93.5	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.8	173.2	-61.5	0	0	0	0	110.3	I91 D92 L93 G94 S95 K149 M151 T154	I91-V118 HydrophobicContact CD1-CG1 4.02Å; I91-V118 HydrophobicContact CD1-CG2 4.23Å; I91-V118 HydrophobicContact CG1-CG2 4.42Å; D92-V118 WeakPolarHBondContact O-CG2 3.4Å; D92-V118 PolarHBondContact O-N 2.96Å; L93-V118 HydrophobicContact CD2-CG2 3.68Å; G94-V118 CarbonylContact C-O 3.6Å; G94-V118 VanDerWaalsContact CA-O 3.26Å; G94-V118 WeakPolarHBondContact CA-O 3.29Å; G94-V118 PolarHBondContact N-O 3.12Å; S95-V118 PolarHBondContact N-O 2.9Å; V118-K149 HydrophobicContact CG1-CB 4.49Å; V118-M151 HydrophobicContact CG2-CB 4.16Å; V118-T154 HydrophobicContact CG1-CG2 4.42Å
119	E	94.8	Very high	93.9	Very high	30 Å²	30	56.6 Å²	56.6	14%	0.14	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.8	179.7	171.8	52	-116.1	0	0	109.3	G96 N121 L124 V125 S147 C148 K149	G96-E119 WeakPolarHBondContact CA-OE2 3.5Å; G96-E119 PolarHBondContact N-OE2 3.28Å; G96-E119 VanDerWaalsContact N-OE2 3.1Å; E119-N121 HydrophobicContact CG-CB 4.19Å; E119-N121 WeakPolarHBondContact OE1-CB 3.32Å; E119-N121 PolarHBondContact OE1-N 3.1Å; E119-L124 HydrophobicContact CG-CB 3.98Å; E119-L124 HydrophobicContact CG-CD1 4.45Å; E119-V125 HydrophobicContact CB-CG2 3.71Å; E119-V125 HydrophobicContact CG-CG2 4.08Å; E119-S147 PolarHBondContact N-O 2.83Å; E119-S147 VanDerWaalsContact N-O 3.12Å; E119-C148 CarbonylContact O-C 3.45Å; E119-C148 WeakPolarHBondContact O-CA 3.12Å; E119-K149 CarbonylContact C-O 3.6Å; E119-K149 PolarHBondContact O-N 3.4Å
120	L	92.2	Very high	94	Very high	82 Å²	82	58.5 Å²	58.5	43%	0.429	28%	0.275	S	S	.	.	S	Bend	trans	-83.5	-28.9	178.8	-170.2	68	0	0	0	111.7	R54 R122 C148 N150	R54-L120 PolarHBondContact NH1-O 3.39Å; L120-R122 PolarHBondContact O-N 3.36Å; L120-C148 PolarHBondContact O-SG 2.88Å; L120-N150 HydrophobicContact CD1-CB 4.33Å
121	N	90.4	Very high	94	Very high	54 Å²	54	60.5 Å²	60.5	29%	0.289	28%	0.283	S	S	.	.			trans	-83.2	105	-178.2	-166.6	-9.1	0	0	0	112.4	E119 P123 L124 V125	E119-N121 HydrophobicContact CG-CB 4.19Å; E119-N121 WeakPolarHBondContact OE1-CB 3.32Å; E119-N121 PolarHBondContact OE1-N 3.1Å; N121-P123 WeakPolarHBondContact OD1-CD 3.45Å; N121-P123 WeakPolarHBondContact OD1-CG 3.34Å; N121-L124 HydrophobicContact CB-CB 4.15Å; N121-L124 HydrophobicContact CB-CD1 3.94Å; N121-L124 HydrophobicContact CB-CG 4.07Å; N121-L124 PolarHBondContact O-N 3.18Å; N121-V125 PolarHBondContact O-N 3.43Å; N121-V125 VanDerWaalsContact O-N 3.08Å
122	R	93.3	Very high	93.9	Very high	169 Å²	169	56.3 Å²	56.3	64%	0.638	27%	0.266	S	S	*	.	H	α-helix	trans	-49.2	-53.2	178.5	-74.9	-173.8	178.5	-155.9	0.9	113.5	L120 L124 V125 W126 C148	L120-R122 PolarHBondContact O-N 3.36Å; R122-L124 VanDerWaalsContact C-N 3.29Å; R122-L124 PolarHBondContact O-N 3.02Å; R122-V125 WeakPolarHBondContact O-CB 3.32Å; R122-V125 PolarHBondContact O-N 3.34Å; R122-V125 VanDerWaalsContact O-N 3.14Å; R122-W126 PolarHBondContact O-N 3.04Å; R122-C148 HydrophobicContact CG-CB 4.02Å; R122-C148 WeakPolarHBondContact CG-SG 3.25Å
123	P	92.8	Very high	93.7	Very high	87 Å²	87	63.5 Å²	63.5	57%	0.565	30%	0.297	S	S	*	.	H	α-helix	trans	-48	-44.5	173.1	-31.3	26.7	0	0	0	115.2	N121 W126 Y127	N121-P123 WeakPolarHBondContact OD1-CD 3.45Å; N121-P123 WeakPolarHBondContact OD1-CG 3.34Å; P123-W126 PolarHBondContact O-N 3Å; P123-Y127 WeakPolarHBondContact O-CB 3.29Å; P123-Y127 PolarHBondContact O-N 2.83Å
124	L	92.8	Very high	93.5	Very high	40 Å²	40	63.2 Å²	63.2	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-67.3	-41.4	178.7	-70.4	-178.9	0	0	0	111.5	F60 G96 E119 N121 R122 W126 Y127 S128	F60-L124 HydrophobicContact CD2-CD1 4.45Å; G96-L124 WeakPolarHBondContact O-CB 3.31Å; E119-L124 HydrophobicContact CG-CB 3.98Å; E119-L124 HydrophobicContact CG-CD1 4.45Å; N121-L124 HydrophobicContact CB-CB 4.15Å; N121-L124 HydrophobicContact CB-CD1 3.94Å; N121-L124 HydrophobicContact CB-CG 4.07Å; N121-L124 PolarHBondContact O-N 3.18Å; R122-L124 VanDerWaalsContact C-N 3.29Å; R122-L124 PolarHBondContact O-N 3.02Å; L124-W126 VanDerWaalsContact C-N 3.3Å; L124-W126 PolarHBondContact O-N 3.4Å; L124-Y127 WeakPolarHBondContact O-CB 3.18Å; L124-Y127 PolarHBondContact O-N 2.99Å; L124-Y127 VanDerWaalsContact O-N 3.15Å; L124-S128 PolarHBondContact O-N 3.47Å; L124-S128 PolarHBondContact O-OG 3.34Å
125	V	95	Very high	93.1	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.012	30%	0.299	C	S	.	.	H	α-helix	trans	-58	-43.8	173.5	175	0	0	0	0	111.5	E119 N121 R122 S128 R129 F146 C148	E119-V125 HydrophobicContact CB-CG2 3.71Å; E119-V125 HydrophobicContact CG-CG2 4.08Å; N121-V125 PolarHBondContact O-N 3.43Å; N121-V125 VanDerWaalsContact O-N 3.08Å; R122-V125 WeakPolarHBondContact O-CB 3.32Å; R122-V125 PolarHBondContact O-N 3.34Å; R122-V125 VanDerWaalsContact O-N 3.14Å; V125-S128 PolarHBondContact O-N 3.44Å; V125-R129 VanDerWaalsContact O-CG 3.3Å; V125-R129 WeakPolarHBondContact O-CG 3.5Å; V125-R129 PolarHBondContact O-N 2.92Å; V125-F146 HydrophobicContact CG1-CB 4.18Å; V125-C148 HydrophobicContact CG2-CB 4.1Å
126	W	95.8	Very high	91.8	Very high	152 Å²	152	69.7 Å²	69.7	58%	0.576	33%	0.332	S	S	*	.	H	α-helix	trans	-63.1	-45	175.5	-76.4	110.9	0	0	0	111.7	R122 P123 L124 S128 R129 I130	R122-W126 PolarHBondContact O-N 3.04Å; P123-W126 PolarHBondContact O-N 3Å; L124-W126 VanDerWaalsContact C-N 3.3Å; L124-W126 PolarHBondContact O-N 3.4Å; W126-S128 PolarHBondContact O-N 3.08Å; W126-R129 PolarHBondContact O-N 3.4Å; W126-I130 WeakPolarHBondContact O-CG1 3.44Å; W126-I130 PolarHBondContact O-N 2.71Å
127	Y	94.7	Very high	90.2	Very high	114 Å²	114	76 Å²	76	45%	0.447	36%	0.36	S	S	.	.	H	α-helix	trans	-57.3	-47.1	174.8	175.6	-92.3	0	0	0	111.8	D97 P123 L124 R129 I130 K131	D97-Y127 HydrophobicContact CB-CD1 4Å; D97-Y127 HydrophobicContact CB-CE1 3.79Å; P123-Y127 WeakPolarHBondContact O-CB 3.29Å; P123-Y127 PolarHBondContact O-N 2.83Å; L124-Y127 WeakPolarHBondContact O-CB 3.18Å; L124-Y127 PolarHBondContact O-N 2.99Å; L124-Y127 VanDerWaalsContact O-N 3.15Å; Y127-R129 VanDerWaalsContact C-N 3.32Å; Y127-R129 PolarHBondContact O-N 3.19Å; Y127-I130 PolarHBondContact O-N 3.01Å; Y127-K131 HydrophobicContact CE1-CB 4.44Å; Y127-K131 HydrophobicContact CE1-CD 3.75Å; Y127-K131 VanDerWaalsContact O-CB 3.31Å; Y127-K131 WeakPolarHBondContact O-CB 3.49Å; Y127-K131 PolarHBondContact O-N 3.21Å
128	S	94.3	Very high	88.6	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-61.1	-39.4	177.9	-55	0	0	0	0	112.3	G96 D97 G98 L124 V125 W126 L132	G96-S128 PolarHBondContact O-OG 3.32Å; D97-S128 PolarHBondContact O-OG 3.39Å; G98-S128 PolarHBondContact N-OG 3.04Å; L124-S128 PolarHBondContact O-N 3.47Å; L124-S128 PolarHBondContact O-OG 3.34Å; V125-S128 PolarHBondContact O-N 3.44Å; W126-S128 PolarHBondContact O-N 3.08Å; S128-L132 WeakPolarHBondContact O-CB 3.2Å; S128-L132 PolarHBondContact O-N 2.82Å
129	R	93.9	Very high	86.7	Confident	101 Å²	101	83.3 Å²	83.3	38%	0.381	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-44.4	175.6	-71	170.3	178.6	-177.1	-4.7	112.2	V125 W126 Y127 L132 F133 F146	V125-R129 VanDerWaalsContact O-CG 3.3Å; V125-R129 WeakPolarHBondContact O-CG 3.5Å; V125-R129 PolarHBondContact O-N 2.92Å; W126-R129 PolarHBondContact O-N 3.4Å; Y127-R129 VanDerWaalsContact C-N 3.32Å; Y127-R129 PolarHBondContact O-N 3.19Å; R129-L132 PolarHBondContact O-N 2.71Å; R129-F133 WeakPolarHBondContact O-CB 3.44Å; R129-F133 PolarHBondContact O-N 3.08Å; R129-F146 HydrophobicContact CG-CB 4.09Å; R129-F146 VanDerWaalsContact CZ-O 3.32Å; R129-F146 PolarHBondContact NE-O 3.38Å; R129-F146 PolarHBondContact NH2-O 3.42Å
130	I	93.2	Very high	84.9	Confident	100 Å²	100	87.7 Å²	87.7	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-64.2	-46.8	176.8	-67.2	165	0	0	0	109.8	W126 Y127 L132 F133 C134	W126-I130 WeakPolarHBondContact O-CG1 3.44Å; W126-I130 PolarHBondContact O-N 2.71Å; Y127-I130 PolarHBondContact O-N 3.01Å; I130-L132 VanDerWaalsContact C-N 3.32Å; I130-L132 PolarHBondContact O-N 2.9Å; I130-F133 WeakPolarHBondContact O-CB 3.38Å; I130-F133 PolarHBondContact O-N 3.46Å; I130-F133 VanDerWaalsContact O-N 3.12Å; I130-C134 PolarHBondContact O-N 3.01Å; I130-C134 PolarHBondContact O-SG 3.48Å
131	K	92.3	Very high	83.5	Confident	56 Å²	56	89.6 Å²	89.6	24%	0.243	44%	0.442	C	S	.	.	H	α-helix	trans	-60.3	-42.2	178.3	-172.9	176	178.3	177.1	0	111.9	D97 I102 Y127 S135	D97-K131 IonicContact OD2-NZ 3.86Å; I102-K131 HydrophobicContact CD1-CB 4.18Å; I102-K131 HydrophobicContact CD1-CD 3.91Å; I102-K131 HydrophobicContact CD1-CG 3.88Å; Y127-K131 HydrophobicContact CE1-CB 4.44Å; Y127-K131 HydrophobicContact CE1-CD 3.75Å; Y127-K131 VanDerWaalsContact O-CB 3.31Å; Y127-K131 WeakPolarHBondContact O-CB 3.49Å; Y127-K131 PolarHBondContact O-N 3.21Å; K131-S135 WeakPolarHBondContact O-CB 3.33Å; K131-S135 PolarHBondContact O-N 3.09Å; K131-S135 PolarHBondContact O-OG 3.14Å
132	L	90.6	Very high	82.9	Confident	35 Å²	35	88 Å²	88	18%	0.183	44%	0.436	C	S	.	.	H	α-helix	trans	-59.5	-48.3	172.3	172.4	63.7	0	0	0	111.4	S128 R129 I130 C134 S135 L138 V144 F146	S128-L132 WeakPolarHBondContact O-CB 3.2Å; S128-L132 PolarHBondContact O-N 2.82Å; R129-L132 PolarHBondContact O-N 2.71Å; I130-L132 VanDerWaalsContact C-N 3.32Å; I130-L132 PolarHBondContact O-N 2.9Å; L132-C134 PolarHBondContact O-N 2.83Å; L132-S135 WeakPolarHBondContact O-CB 3.35Å; L132-S135 PolarHBondContact O-N 2.85Å; L132-L138 HydrophobicContact CD1-CB 3.88Å; L132-L138 HydrophobicContact CD1-CD2 3.14Å; L132-L138 HydrophobicContact CD1-CG 4.07Å; L132-V144 HydrophobicContact CD1-CB 4.28Å; L132-V144 HydrophobicContact CD1-CG1 4.1Å; L132-V144 HydrophobicContact CD2-CB 3.9Å; L132-V144 HydrophobicContact CD2-CG1 3.73Å; L132-F146 HydrophobicContact CB-CE2 4.23Å; L132-F146 HydrophobicContact CD2-CD2 4.22Å; L132-F146 HydrophobicContact CD2-CE2 4.1Å
133	F	89.5	Confident	82.7	Confident	169 Å²	169	87.5 Å²	87.5	74%	0.741	44%	0.438	S	S	*	.	H	α-helix	trans	-62.3	-42.1	179.5	-179.4	-100.9	0	0	0	112.4	R129 I130 S135	R129-F133 WeakPolarHBondContact O-CB 3.44Å; R129-F133 PolarHBondContact O-N 3.08Å; I130-F133 WeakPolarHBondContact O-CB 3.38Å; I130-F133 PolarHBondContact O-N 3.46Å; I130-F133 VanDerWaalsContact O-N 3.12Å; F133-S135 PolarHBondContact O-N 3.41Å
134	C	89.5	Confident	82.7	Confident	86 Å²	86	84.6 Å²	84.6	58%	0.581	42%	0.418	S	S	*	.	H	α-helix	trans	-69.7	-20.3	174.4	-63.3	0	0	0	0	112.9	I130 L132 N136	I130-C134 PolarHBondContact O-N 3.01Å; I130-C134 PolarHBondContact O-SG 3.48Å; L132-C134 PolarHBondContact O-N 2.83Å; C134-N136 VanDerWaalsContact C-N 3.31Å; C134-N136 PolarHBondContact O-N 3.08Å
135	S	84.8	Confident	82.8	Confident	32 Å²	32	85.6 Å²	85.6	22%	0.224	43%	0.426	C	S	.	.			trans	-82.2	76.9	176.6	-59.6	0	0	0	0	109.5	K131 L132 F133 K137 L138	K131-S135 WeakPolarHBondContact O-CB 3.33Å; K131-S135 PolarHBondContact O-N 3.09Å; K131-S135 PolarHBondContact O-OG 3.14Å; L132-S135 WeakPolarHBondContact O-CB 3.35Å; L132-S135 PolarHBondContact O-N 2.85Å; F133-S135 PolarHBondContact O-N 3.41Å; S135-K137 PolarHBondContact O-N 3.34Å; S135-L138 PolarHBondContact O-N 3.3Å; S135-L138 VanDerWaalsContact O-N 3.07Å
136	N	68.1	Low	82.8	Confident	133 Å²	133	85.6 Å²	85.6	71%	0.711	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-48.7	-20.2	179.1	-70.3	-19.1	0	0	0	114.5	C134	C134-N136 VanDerWaalsContact C-N 3.31Å; C134-N136 PolarHBondContact O-N 3.08Å
137	K	63.2	Low	82.8	Confident	152 Å²	152	79 Å²	79	66%	0.661	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-75.3	-17.8	-177.4	-159.5	175	-178.8	-173.8	0	114.4	S135	S135-K137 PolarHBondContact O-N 3.34Å
138	L	63	Low	82.9	Confident	10 Å²	10	76 Å²	76	5%	0.052	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-93.5	-5.1	-170.4	-132.1	62.6	0	0	0	115.6	L105 L132 S135 T140 V144	L105-L138 VanDerWaalsContact C-CD1 3.41Å; L105-L138 HydrophobicContact CB-CD1 3.4Å; L105-L138 HydrophobicContact CB-CD2 3.74Å; L105-L138 HydrophobicContact CB-CG 3.81Å; L105-L138 HydrophobicContact CD1-CD2 3.63Å; L105-L138 HydrophobicContact CD1-CG 4.35Å; L105-L138 HydrophobicContact CG-CD2 4.35Å; L105-L138 WeakPolarHBondContact O-CD1 3.18Å; L132-L138 HydrophobicContact CD1-CB 3.88Å; L132-L138 HydrophobicContact CD1-CD2 3.14Å; L132-L138 HydrophobicContact CD1-CG 4.07Å; S135-L138 PolarHBondContact O-N 3.3Å; S135-L138 VanDerWaalsContact O-N 3.07Å; L138-T140 VanDerWaalsContact C-N 3.26Å; L138-T140 PolarHBondContact O-N 3.04Å; L138-V144 HydrophobicContact CD2-CG2 4.15Å
139	L	56.6	Low	82.9	Confident	146 Å²	146	81.1 Å²	81.1	76%	0.764	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-13.9	-170.4	-69.8	167.5	0	0	0	114.2
140	T	57.8	Low	82.9	Confident	122 Å²	122	79.2 Å²	79.2	75%	0.748	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-8.9	-158.3	-7.4	0	0	0	0	116.3	L138	L138-T140 VanDerWaalsContact C-N 3.26Å; L138-T140 PolarHBondContact O-N 3.04Å
141	T	63.1	Low	82.9	Confident	122 Å²	122	75.7 Å²	75.7	75%	0.748	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	-39.4	-170.9	57	0	0	0	0	116.9
142	S	76.6	Confident	82.9	Confident	21 Å²	21	77.4 Å²	77.4	15%	0.147	41%	0.405	C	S	.	.			trans	-117.7	141.5	-168.6	-58.7	0	0	0	0	112.4	I112 V144	I112-S142 PolarHBondContact O-OG 2.97Å; I112-S142 VanDerWaalsContact O-OG 3.1Å; S142-V144 WeakPolarHBondContact O-CG2 3.34Å; S142-V144 PolarHBondContact O-N 3.23Å; S142-V144 VanDerWaalsContact O-N 3.16Å
143	K	89.4	Confident	83.1	Confident	157 Å²	157	84.4 Å²	84.4	68%	0.683	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	105.1	168	-177.7	177.4	-179.5	176.4	0	109.1	S114 A115	S114-K143 WeakPolarHBondContact CA-O 3.34Å; A115-K143 PolarHBondContact N-O 3.06Å
144	V	92.4	Very high	83.4	Confident	26 Å²	26	77 Å²	77	16%	0.158	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.3	-179.3	-168	0	0	0	0	110.1	L105 A115 L132 L138 S142 F146	L105-V144 HydrophobicContact CD1-CB 4.29Å; L105-V144 HydrophobicContact CD1-CG1 3.75Å; L105-V144 HydrophobicContact CD1-CG2 3.5Å; L105-V144 VanDerWaalsContact CD1-CG2 3.5Å; L105-V144 HydrophobicContact CD2-CG2 4.39Å; A115-V144 HydrophobicContact CB-CG1 4.38Å; A115-V144 HydrophobicContact CB-CG2 4.36Å; A115-V144 CarbonylContact O-C 3.53Å; A115-V144 VanDerWaalsContact O-CA 3.32Å; A115-V144 WeakPolarHBondContact O-CA 3.42Å; L132-V144 HydrophobicContact CD1-CB 4.28Å; L132-V144 HydrophobicContact CD1-CG1 4.1Å; L132-V144 HydrophobicContact CD2-CB 3.9Å; L132-V144 HydrophobicContact CD2-CG1 3.73Å; L138-V144 HydrophobicContact CD2-CG2 4.15Å; S142-V144 WeakPolarHBondContact O-CG2 3.34Å; S142-V144 PolarHBondContact O-N 3.23Å; S142-V144 VanDerWaalsContact O-N 3.16Å; V144-F146 HydrophobicContact CG1-CE2 4.12Å
145	T	94.3	Very high	83.7	Confident	61 Å²	61	77 Å²	77	37%	0.374	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	143.4	176.7	-62.9	0	0	0	0	110.3	A115 H116 G117	A115-T145 PolarHBondContact O-N 3.37Å; H116-T145 CarbonylContact C-O 3.56Å; H116-T145 VanDerWaalsContact CA-O 3.31Å; H116-T145 WeakPolarHBondContact CA-O 3.37Å; H116-T145 PolarHBondContact CD2-O 3.25Å; G117-T145 PolarHBondContact N-O 3.18Å
146	F	96.3	Very high	84.3	Confident	2 Å²	2	75.5 Å²	75.5	1%	0.009	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.8	167.9	-68.7	-82.4	0	0	0	108.9	L101 I102 G117 V125 R129 L132 V144	L101-F146 HydrophobicContact CB-CE1 4.47Å; L101-F146 HydrophobicContact CB-CZ 4.33Å; L101-F146 HydrophobicContact CD2-CE1 3.98Å; L101-F146 HydrophobicContact CD2-CZ 4Å; I102-F146 HydrophobicContact CD1-CE2 4.5Å; I102-F146 HydrophobicContact CD1-CZ 4.35Å; I102-F146 HydrophobicContact CG1-CE2 4.46Å; I102-F146 HydrophobicContact CG1-CZ 4.16Å; G117-F146 CarbonylContact O-C 3.56Å; G117-F146 VanDerWaalsContact O-CA 3.32Å; G117-F146 WeakPolarHBondContact O-CA 3.49Å; V125-F146 HydrophobicContact CG1-CB 4.18Å; R129-F146 HydrophobicContact CG-CB 4.09Å; R129-F146 VanDerWaalsContact CZ-O 3.32Å; R129-F146 PolarHBondContact NE-O 3.38Å; R129-F146 PolarHBondContact NH2-O 3.42Å; L132-F146 HydrophobicContact CB-CE2 4.23Å; L132-F146 HydrophobicContact CD2-CD2 4.22Å; L132-F146 HydrophobicContact CD2-CE2 4.1Å; V144-F146 HydrophobicContact CG1-CE2 4.12Å
147	S	95.9	Very high	85.6	Confident	13 Å²	13	72.2 Å²	72.2	9%	0.091	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.9	-178.8	74.9	0	0	0	0	113.3	H116 G117 E119 K149	H116-S147 PolarHBondContact CE1-OG 3.37Å; H116-S147 WeakPolarHBondContact NE2-CB 3.44Å; H116-S147 PolarHBondContact NE2-OG 3.32Å; G117-S147 PolarHBondContact O-N 3.46Å; E119-S147 PolarHBondContact N-O 2.83Å; E119-S147 VanDerWaalsContact N-O 3.12Å; S147-K149 PolarHBondContact O-N 3.46Å; S147-K149 WeakPolarHBondContact OG-CD 3.39Å
148	C	95.9	Very high	87.1	Confident	51 Å²	51	69.1 Å²	69.1	35%	0.345	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	91.9	174.3	-177.7	0	0	0	0	109.5	E119 L120 R122 V125	E119-C148 CarbonylContact O-C 3.45Å; E119-C148 WeakPolarHBondContact O-CA 3.12Å; L120-C148 PolarHBondContact O-SG 2.88Å; R122-C148 HydrophobicContact CG-CB 4.02Å; R122-C148 WeakPolarHBondContact CG-SG 3.25Å; V125-C148 HydrophobicContact CG2-CB 4.1Å
149	K	94.3	Very high	88.7	Confident	109 Å²	109	70 Å²	70	47%	0.474	37%	0.37	S	S	.	.			trans	-141.9	150	-175.5	-69.6	-173.2	-177.2	-178.3	0	111.3	V118 E119 S147 M151	V118-K149 HydrophobicContact CG1-CB 4.49Å; E119-K149 CarbonylContact C-O 3.6Å; E119-K149 PolarHBondContact O-N 3.4Å; S147-K149 PolarHBondContact O-N 3.46Å; S147-K149 WeakPolarHBondContact OG-CD 3.39Å; K149-M151 PolarHBondContact O-N 3.07Å
150	N	93.3	Very high	90.6	Very high	60 Å²	60	65.7 Å²	65.7	32%	0.321	35%	0.347	S	S	.	.			trans	-76.4	116.5	169.5	-178.2	-20	0	0	0	109	L120 W152 K153 T154	L120-N150 HydrophobicContact CD1-CB 4.33Å; N150-W152 PolarHBondContact O-N 3.42Å; N150-W152 VanDerWaalsContact O-N 3.17Å; N150-W152 WeakPolarHBondContact OD1-CB 3.45Å; N150-W152 PolarHBondContact OD1-N 3.03Å; N150-K153 HydrophobicContact CB-CB 4.47Å; N150-K153 HydrophobicContact CB-CG 4.42Å; N150-K153 PolarHBondContact O-N 3.36Å; N150-T154 PolarHBondContact O-N 3.3Å; N150-T154 PolarHBondContact O-OG1 2.86Å
151	M	93.2	Very high	92.5	Very high	27 Å²	27	59.9 Å²	59.9	13%	0.133	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-54.2	-32.8	179.8	65.7	-168.1	177.5	0	0	113.8	L93 V118 K149 K153 T154 M170 K177	L93-M151 HydrophobicContact CB-CB 4.48Å; L93-M151 HydrophobicContact CD2-CB 4.14Å; V118-M151 HydrophobicContact CG2-CB 4.16Å; K149-M151 PolarHBondContact O-N 3.07Å; M151-K153 VanDerWaalsContact C-N 3.29Å; M151-K153 PolarHBondContact O-N 3.23Å; M151-T154 PolarHBondContact O-N 3.36Å; M151-M170 HydrophobicContact CE-CE 4.14Å; M151-M170 HydrophobicContact CE-SD 3.22Å; M151-M170 WeakPolarHBondContact CE-SD 3.48Å; M151-M170 HydrophobicContact SD-SD 4.47Å; M151-K177 WeakPolarHBondContact O-CE 3.49Å
152	W	93.5	Very high	94.2	Very high	92 Å²	92	54.1 Å²	54.1	35%	0.348	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-66.5	-31.1	178.3	-57.3	113.2	0	0	0	113	N150 M170 I174 K177	N150-W152 PolarHBondContact O-N 3.42Å; N150-W152 VanDerWaalsContact O-N 3.17Å; N150-W152 WeakPolarHBondContact OD1-CB 3.45Å; N150-W152 PolarHBondContact OD1-N 3.03Å; W152-M170 HydrophobicContact CH2-CG 3.5Å; W152-M170 VanDerWaalsContact CH2-CG 3.5Å; W152-M170 HydrophobicContact CH2-SD 4.23Å; W152-M170 HydrophobicContact CZ2-CG 3.45Å; W152-M170 VanDerWaalsContact CZ2-CG 3.45Å; W152-M170 HydrophobicContact CZ2-SD 3.72Å; W152-I174 HydrophobicContact CE3-CD1 4.03Å; W152-I174 HydrophobicContact CH2-CD1 3.47Å; W152-I174 VanDerWaalsContact CH2-CD1 3.47Å; W152-I174 HydrophobicContact CH2-CG1 3.54Å; W152-I174 HydrophobicContact CZ2-CD1 4.19Å; W152-I174 HydrophobicContact CZ2-CG1 4.46Å; W152-I174 HydrophobicContact CZ3-CD1 3.35Å; W152-I174 HydrophobicContact CZ3-CG1 3.76Å; W152-K177 HydrophobicContact CE3-CD 4.12Å; W152-K177 PolarHBondContact O-NZ 3.27Å
153	K	94.3	Very high	95.2	Very high	182 Å²	182	53.1 Å²	53.1	79%	0.791	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-92.3	-6.8	179.1	-62.5	-173	176.9	-173.4	0	112.9	N150 M151	N150-K153 HydrophobicContact CB-CB 4.47Å; N150-K153 HydrophobicContact CB-CG 4.42Å; N150-K153 PolarHBondContact O-N 3.36Å; M151-K153 VanDerWaalsContact C-N 3.29Å; M151-K153 PolarHBondContact O-N 3.23Å
154	T	95.3	Very high	95.5	Very high	12 Å²	12	45.6 Å²	45.6	7%	0.074	24%	0.237	C	C	.	.	S	Bend	trans	-75.8	126.9	177.8	-59	0	0	0	0	109.1	I91 V118 N150 M151 L156 Y159 K177	I91-T154 HydrophobicContact CD1-CG2 3.67Å; V118-T154 HydrophobicContact CG1-CG2 4.42Å; N150-T154 PolarHBondContact O-N 3.3Å; N150-T154 PolarHBondContact O-OG1 2.86Å; M151-T154 PolarHBondContact O-N 3.36Å; T154-L156 PolarHBondContact O-N 3.08Å; T154-Y159 HydrophobicContact CG2-CE2 4.46Å; T154-K177 WeakPolarHBondContact O-CE 3.36Å; T154-K177 PolarHBondContact O-NZ 2.94Å
155	N	96.3	Very high	95.5	Very high	87 Å²	87	46.4 Å²	46.4	47%	0.465	24%	0.238	S	C	.	.			trans	-69.9	120.7	173.1	-178.8	-8.5	0	0	0	109.5	S157 Y159	N155-S157 PolarHBondContact ND2-OG 3.22Å; N155-S157 VanDerWaalsContact OD1-CB 3.25Å; N155-S157 WeakPolarHBondContact OD1-CB 3.47Å; N155-S157 PolarHBondContact OD1-N 3.27Å; N155-S157 PolarHBondContact OD1-OG 3.29Å; N155-Y159 WeakPolarHBondContact O-CE2 3.4Å
156	L	97.1	Very high	95.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.			trans	-88.3	-14.1	179.1	-56.3	-176.6	0	0	0	114.4	I91 L93 T154 V158 Y159 K177 L178 E181 L182	I91-L156 HydrophobicContact CD1-CD2 4.21Å; I91-L156 HydrophobicContact CG2-CD2 4.39Å; L93-L156 HydrophobicContact CD1-CD1 4.33Å; L93-L156 HydrophobicContact CD1-CD2 4.21Å; L93-L156 HydrophobicContact CD2-CD2 3.84Å; T154-L156 PolarHBondContact O-N 3.08Å; L156-V158 PolarHBondContact O-N 3.25Å; L156-Y159 PolarHBondContact O-N 3.1Å; L156-K177 HydrophobicContact CD1-CD 4.27Å; L156-K177 HydrophobicContact CD1-CG 4.12Å; L156-L178 HydrophobicContact CD1-CD2 3.8Å; L156-E181 HydrophobicContact CB-CB 3.99Å; L156-E181 PolarHBondContact N-OE2 3.46Å; L156-L182 HydrophobicContact CB-CD2 3.84Å; L156-L182 HydrophobicContact CB-CG 4.42Å
157	S	95.7	Very high	94.9	Very high	64 Å²	64	45.5 Å²	45.5	45%	0.448	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.7	-173.3	81.2	0	0	0	0	114.8	N155 E181	N155-S157 PolarHBondContact ND2-OG 3.22Å; N155-S157 VanDerWaalsContact OD1-CB 3.25Å; N155-S157 WeakPolarHBondContact OD1-CB 3.47Å; N155-S157 PolarHBondContact OD1-N 3.27Å; N155-S157 PolarHBondContact OD1-OG 3.29Å; S157-E181 WeakPolarHBondContact CA-O 3.37Å; S157-E181 VanDerWaalsContact CB-O 3.23Å; S157-E181 WeakPolarHBondContact CB-O 3.48Å; S157-E181 PolarHBondContact N-O 2.96Å
158	V	95.3	Very high	94.6	Very high	87 Å²	87	49.9 Å²	49.9	53%	0.527	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.5	-179.9	-58.5	0	0	0	0	113	L156	L156-V158 PolarHBondContact O-N 3.25Å
159	Y	97.1	Very high	94.3	Very high	29 Å²	29	53.6 Å²	53.6	11%	0.114	28%	0.278	C	S	.	.			trans	-113.4	136.8	-178.7	-54.4	-80.7	0	0	0	111.1	I91 H116 T154 N155 L156	I91-Y159 HydrophobicContact CB-CD1 3.7Å; I91-Y159 HydrophobicContact CB-CD2 3.91Å; I91-Y159 HydrophobicContact CB-CE1 3.94Å; I91-Y159 HydrophobicContact CB-CE2 4.14Å; I91-Y159 HydrophobicContact CB-CG 3.7Å; I91-Y159 HydrophobicContact CD1-CD2 3.97Å; I91-Y159 HydrophobicContact CD1-CE1 4.42Å; I91-Y159 HydrophobicContact CD1-CE2 3.52Å; I91-Y159 HydrophobicContact CG1-CE2 4.38Å; I91-Y159 HydrophobicContact CG2-CD1 4.12Å; I91-Y159 HydrophobicContact CG2-CD2 3.74Å; I91-Y159 HydrophobicContact CG2-CE2 4.38Å; I91-Y159 HydrophobicContact CG2-CG 3.6Å; H116-Y159 HydrophobicContact CB-CE1 3.93Å; H116-Y159 AromaticContact ND1-CZ 3.69Å; H116-Y159 PolarHBondContact ND1-OH 2.87Å; T154-Y159 HydrophobicContact CG2-CE2 4.46Å; N155-Y159 WeakPolarHBondContact O-CE2 3.4Å; L156-Y159 PolarHBondContact O-N 3.1Å
160	D	96.9	Very high	94.1	Very high	56 Å²	56	49.1 Å²	49.1	30%	0.299	26%	0.259	S	S	.	.	S	Bend	trans	-84.4	-25.8	177.5	-60.6	-78.6	0	0	0	112.1	L87 G88 S89 S186 I187	L87-D160 WeakPolarHBondContact O-CB 3.3Å; G88-D160 WeakPolarHBondContact CA-OD2 3.14Å; S89-D160 PolarHBondContact N-OD2 3.35Å; S89-D160 PolarHBondContact O-N 3.04Å; D160-S186 CarbonylContact O-C 3.57Å; D160-S186 VanDerWaalsContact O-CA 3.27Å; D160-S186 WeakPolarHBondContact O-CA 3.42Å; D160-I187 PolarHBondContact O-N 3.02Å
161	T	97.7	Very high	94.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.6	-175	-60.7	0	0	0	0	110.3	L75 L87 S89 I90 I91 L163 I187	L75-T161 HydrophobicContact CD2-CG2 3.79Å; L87-T161 PolarHBondContact O-OG1 3.35Å; S89-T161 PolarHBondContact O-N 3.4Å; S89-T161 VanDerWaalsContact O-N 3.09Å; I90-T161 CarbonylContact C-O 3.53Å; I90-T161 VanDerWaalsContact CA-O 3.31Å; I90-T161 WeakPolarHBondContact CA-O 3.1Å; I90-T161 HydrophobicContact CD1-CG2 4.45Å; I90-T161 HydrophobicContact CG1-CG2 4.07Å; I90-T161 HydrophobicContact CG2-CG2 4.35Å; I91-T161 PolarHBondContact N-O 2.93Å; T161-L163 HydrophobicContact CG2-CD2 4.38Å; T161-I187 CarbonylContact C-O 3.49Å; T161-I187 WeakPolarHBondContact CA-O 3.17Å; T161-I187 HydrophobicContact CG2-CB 4.28Å; T161-I187 HydrophobicContact CG2-CG2 4.15Å
162	V	98	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.7	177.6	-178.5	0	0	0	0	109.8	I91 L93 L178 L182 I187 V188 I189	I91-V162 HydrophobicContact CG2-CB 4.18Å; I91-V162 HydrophobicContact CG2-CG1 4.16Å; I91-V162 HydrophobicContact CG2-CG2 3.74Å; L93-V162 HydrophobicContact CD1-CG1 3.51Å; L93-V162 HydrophobicContact CG-CG1 3.89Å; V162-L178 HydrophobicContact CB-CD2 4.36Å; V162-L178 HydrophobicContact CG1-CD2 4.05Å; V162-L178 HydrophobicContact CG2-CD2 4.29Å; V162-L182 HydrophobicContact CG2-CD1 4.05Å; V162-L182 HydrophobicContact CG2-CD2 3.68Å; V162-L182 HydrophobicContact CG2-CG 4.46Å; V162-I187 PolarHBondContact N-O 3Å; V162-V188 HydrophobicContact CB-CG1 4.4Å; V162-V188 HydrophobicContact CB-CG2 4.3Å; V162-V188 CarbonylContact O-C 3.55Å; V162-V188 WeakPolarHBondContact O-CA 3.23Å; V162-I189 PolarHBondContact O-N 2.99Å
163	L	97.6	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.4	169.9	-50.4	177.9	0	0	0	108.8	T71 L75 I90 I91 L93 V100 L104 T161 F165 I189	T71-L163 HydrophobicContact CG2-CD2 4.46Å; L75-L163 HydrophobicContact CD1-CD2 4.07Å; L75-L163 HydrophobicContact CD2-CD2 4.2Å; I90-L163 HydrophobicContact CG2-CD1 3.9Å; I90-L163 HydrophobicContact CG2-CG 3.99Å; I91-L163 PolarHBondContact O-N 3.06Å; L93-L163 PolarHBondContact N-O 2.9Å; V100-L163 HydrophobicContact CG1-CD1 4.08Å; L104-L163 HydrophobicContact CD1-CD1 3.44Å; L104-L163 VanDerWaalsContact CD1-CD1 3.44Å; T161-L163 HydrophobicContact CG2-CD2 4.38Å; L163-F165 HydrophobicContact CB-CE2 4.39Å; L163-I189 HydrophobicContact CD2-CB 3.74Å; L163-I189 HydrophobicContact CD2-CG1 3.94Å; L163-I189 HydrophobicContact CD2-CG2 4.43Å
164	L	95.6	Very high	94.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	118.4	-179.2	-177.8	76.7	0	0	0	111.2	L93 M170 M171 I174 I189 T190 A191	L93-L164 HydrophobicContact CB-CD1 3.81Å; L93-L164 HydrophobicContact CD1-CD1 4.2Å; L164-M170 HydrophobicContact CD1-CE 3.94Å; L164-M171 HydrophobicContact CD2-CE 3.56Å; L164-M171 HydrophobicContact CD2-SD 3.83Å; L164-M171 HydrophobicContact CG-CE 4.26Å; L164-I174 HydrophobicContact CD1-CD1 4.12Å; L164-I174 HydrophobicContact CD1-CG1 4.3Å; L164-I174 HydrophobicContact CD1-CG2 4.39Å; L164-I174 HydrophobicContact CD2-CB 4.12Å; L164-I174 HydrophobicContact CD2-CG1 4.17Å; L164-I174 HydrophobicContact CD2-CG2 3.47Å; L164-I174 VanDerWaalsContact CD2-CG2 3.47Å; L164-I189 PolarHBondContact N-O 2.81Å; L164-T190 HydrophobicContact CB-CG2 4.36Å; L164-T190 HydrophobicContact CD2-CG2 4Å; L164-T190 WeakPolarHBondContact O-CA 3.43Å; L164-A191 PolarHBondContact O-N 3.15Å
165	F	92.3	Very high	94.5	Very high	43 Å²	43	40.8 Å²	40.8	19%	0.189	23%	0.23	C	C	.	.			trans	-114	68.3	176.6	-72.9	-111.1	0	0	0	108.9	A63 Q67 V100 L163 A191	A63-F165 HydrophobicContact CB-CD1 3.84Å; A63-F165 HydrophobicContact CB-CE1 3.6Å; Q67-F165 HydrophobicContact CG-CE1 4Å; V100-F165 HydrophobicContact CB-CE2 4.34Å; V100-F165 HydrophobicContact CB-CZ 4.39Å; V100-F165 HydrophobicContact CG1-CD2 4.4Å; V100-F165 HydrophobicContact CG1-CE2 3.57Å; V100-F165 HydrophobicContact CG1-CZ 3.67Å; V100-F165 HydrophobicContact CG2-CD1 4.18Å; V100-F165 HydrophobicContact CG2-CD2 4.2Å; V100-F165 HydrophobicContact CG2-CE1 3.88Å; V100-F165 HydrophobicContact CG2-CE2 3.95Å; V100-F165 HydrophobicContact CG2-CG 4.35Å; V100-F165 HydrophobicContact CG2-CZ 3.77Å; L163-F165 HydrophobicContact CB-CE2 4.39Å; F165-A191 HydrophobicContact CB-CB 4.46Å; F165-A191 HydrophobicContact CD1-CB 3.33Å; F165-A191 HydrophobicContact CD2-CB 4.09Å; F165-A191 HydrophobicContact CE1-CB 3.35Å; F165-A191 HydrophobicContact CE2-CB 4.07Å; F165-A191 HydrophobicContact CG-CB 3.71Å; F165-A191 HydrophobicContact CZ-CB 3.72Å
166	G	87.8	Confident	94.5	Very high	8 Å²	8	42.4 Å²	42.4	8%	0.082	24%	0.235	C	C	.	.			trans	-97.4	-168.7	-171.1	0	0	0	0	0	115.2	Y193	G166-Y193 WeakPolarHBondContact O-CD2 3.39Å
167	V	89.6	Confident	94.5	Very high	36 Å²	36	43.3 Å²	43.3	22%	0.218	24%	0.239	C	C	.	.			trans	-115.2	158.4	170.9	-62.2	0	0	0	0	110.1	L58 T169 M170 M171	L58-V167 HydrophobicContact CD2-CG1 4.34Å; L58-V167 HydrophobicContact CD2-CG2 3.65Å; V167-T169 PolarHBondContact O-N 2.96Å; V167-M170 HydrophobicContact CG2-CB 4.03Å; V167-M170 VanDerWaalsContact O-CB 3.27Å; V167-M170 WeakPolarHBondContact O-CB 3.5Å; V167-M170 PolarHBondContact O-N 2.82Å; V167-M171 VanDerWaalsContact O-CE 3.3Å; V167-M171 WeakPolarHBondContact O-CE 3.21Å
168	D	90.1	Very high	94.6	Very high	104 Å²	104	40.3 Å²	40.3	56%	0.556	22%	0.218	S	C	*	.	H	α-helix	trans	-51.9	-49.9	-174.6	-166.6	29.7	0	0	0	113.9	M170 M171 Y193	D168-M170 PolarHBondContact O-N 3.28Å; D168-M171 WeakPolarHBondContact O-CB 3.24Å; D168-M171 PolarHBondContact O-N 2.84Å; D168-Y193 HydrophobicContact CB-CD1 3.67Å; D168-Y193 HydrophobicContact CB-CE1 3.74Å; D168-Y193 HydrophobicContact CB-CG 4.2Å
169	T	89.7	Confident	94.6	Very high	129 Å²	129	40.4 Å²	40.4	79%	0.791	22%	0.219	S	C	*	.	H	α-helix	trans	-61	-14.1	-179.2	57.2	0	0	0	0	114.3	V167	V167-T169 PolarHBondContact O-N 2.96Å
170	M	91	Very high	94.6	Very high	16 Å²	16	47.6 Å²	47.6	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-95.1	-20.8	-179.8	-168.2	174.8	70.7	0	0	112.8	L58 M151 W152 L164 V167 D168 E172 S173 I174	L58-M170 HydrophobicContact CD1-SD 4.18Å; M151-M170 HydrophobicContact CE-CE 4.14Å; M151-M170 HydrophobicContact CE-SD 3.22Å; M151-M170 WeakPolarHBondContact CE-SD 3.48Å; M151-M170 HydrophobicContact SD-SD 4.47Å; W152-M170 HydrophobicContact CH2-CG 3.5Å; W152-M170 VanDerWaalsContact CH2-CG 3.5Å; W152-M170 HydrophobicContact CH2-SD 4.23Å; W152-M170 HydrophobicContact CZ2-CG 3.45Å; W152-M170 VanDerWaalsContact CZ2-CG 3.45Å; W152-M170 HydrophobicContact CZ2-SD 3.72Å; L164-M170 HydrophobicContact CD1-CE 3.94Å; V167-M170 HydrophobicContact CG2-CB 4.03Å; V167-M170 VanDerWaalsContact O-CB 3.27Å; V167-M170 WeakPolarHBondContact O-CB 3.5Å; V167-M170 PolarHBondContact O-N 2.82Å; D168-M170 PolarHBondContact O-N 3.28Å; M170-E172 PolarHBondContact O-N 3.12Å; M170-S173 PolarHBondContact O-N 3.37Å; M170-I174 HydrophobicContact CE-CG1 4.16Å; M170-I174 HydrophobicContact CG-CD1 4.46Å; M170-I174 HydrophobicContact CG-CG1 3.76Å; M170-I174 WeakPolarHBondContact O-CG1 3.4Å; M170-I174 PolarHBondContact O-N 3.07Å; M170-I174 HydrophobicContact SD-CG1 4.37Å
171	M	94	Very high	94.6	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-38.9	-168.9	-67.4	-59.6	105.1	0	0	112.6	L164 V167 D168 I174 E175	L164-M171 HydrophobicContact CD2-CE 3.56Å; L164-M171 HydrophobicContact CD2-SD 3.83Å; L164-M171 HydrophobicContact CG-CE 4.26Å; V167-M171 VanDerWaalsContact O-CE 3.3Å; V167-M171 WeakPolarHBondContact O-CE 3.21Å; D168-M171 WeakPolarHBondContact O-CB 3.24Å; D168-M171 PolarHBondContact O-N 2.84Å; M171-I174 PolarHBondContact O-N 3.04Å; M171-E175 WeakPolarHBondContact O-CB 3.48Å; M171-E175 PolarHBondContact O-N 2.67Å
172	E	95.1	Very high	94.5	Very high	116 Å²	116	48.3 Å²	48.3	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-47.6	178	-173	-178.4	-175.1	0	0	112.3	M170 I174 E175 Q176 P196	M170-E172 PolarHBondContact O-N 3.12Å; E172-I174 VanDerWaalsContact C-N 3.33Å; E172-I174 PolarHBondContact O-N 3.25Å; E172-E175 WeakPolarHBondContact O-CB 3.12Å; E172-E175 PolarHBondContact O-N 2.92Å; E172-Q176 WeakPolarHBondContact O-CG 3.3Å; E172-Q176 PolarHBondContact O-N 3.49Å; E172-P196 HydrophobicContact CB-CG 4.13Å
173	S	95.4	Very high	94.3	Very high	60 Å²	60	51 Å²	51	42%	0.42	27%	0.271	S	S	.	.	H	α-helix	trans	-67.5	-34.5	177.9	-64.9	0	0	0	0	112.3	M170 K177	M170-S173 PolarHBondContact O-N 3.37Å; S173-K177 PolarHBondContact O-N 2.84Å
174	I	95.6	Very high	94.1	Very high	2 Å²	2	58 Å²	58	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-43	175.6	-69.6	-72.5	0	0	0	110.6	W152 L164 M170 M171 E172 Q176 K177 L178	W152-I174 HydrophobicContact CE3-CD1 4.03Å; W152-I174 HydrophobicContact CH2-CD1 3.47Å; W152-I174 VanDerWaalsContact CH2-CD1 3.47Å; W152-I174 HydrophobicContact CH2-CG1 3.54Å; W152-I174 HydrophobicContact CZ2-CD1 4.19Å; W152-I174 HydrophobicContact CZ2-CG1 4.46Å; W152-I174 HydrophobicContact CZ3-CD1 3.35Å; W152-I174 HydrophobicContact CZ3-CG1 3.76Å; L164-I174 HydrophobicContact CD1-CD1 4.12Å; L164-I174 HydrophobicContact CD1-CG1 4.3Å; L164-I174 HydrophobicContact CD1-CG2 4.39Å; L164-I174 HydrophobicContact CD2-CB 4.12Å; L164-I174 HydrophobicContact CD2-CG1 4.17Å; L164-I174 HydrophobicContact CD2-CG2 3.47Å; L164-I174 VanDerWaalsContact CD2-CG2 3.47Å; M170-I174 HydrophobicContact CE-CG1 4.16Å; M170-I174 HydrophobicContact CG-CD1 4.46Å; M170-I174 HydrophobicContact CG-CG1 3.76Å; M170-I174 WeakPolarHBondContact O-CG1 3.4Å; M170-I174 PolarHBondContact O-N 3.07Å; M170-I174 HydrophobicContact SD-CG1 4.37Å; M171-I174 PolarHBondContact O-N 3.04Å; E172-I174 VanDerWaalsContact C-N 3.33Å; E172-I174 PolarHBondContact O-N 3.25Å; I174-Q176 VanDerWaalsContact C-N 3.32Å; I174-Q176 PolarHBondContact O-N 2.81Å; I174-K177 WeakPolarHBondContact O-CB 3.43Å; I174-K177 PolarHBondContact O-N 3.4Å; I174-K177 VanDerWaalsContact O-N 3.09Å; I174-L178 HydrophobicContact CG2-CD1 3.46Å; I174-L178 VanDerWaalsContact CG2-CD1 3.46Å; I174-L178 HydrophobicContact CG2-CG 3.79Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 VanDerWaalsContact O-CG 3.23Å; I174-L178 WeakPolarHBondContact O-CG 3.35Å; I174-L178 PolarHBondContact O-N 3.3Å
175	E	96.5	Very high	94	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-53	-51.3	177	-166.8	-175.4	109.1	0	0	111	M171 E172 K177 L178 T179 L195 P196 N197 I198	M171-E175 WeakPolarHBondContact O-CB 3.48Å; M171-E175 PolarHBondContact O-N 2.67Å; E172-E175 WeakPolarHBondContact O-CB 3.12Å; E172-E175 PolarHBondContact O-N 2.92Å; E175-K177 VanDerWaalsContact C-N 3.3Å; E175-K177 PolarHBondContact O-N 3.49Å; E175-L178 PolarHBondContact O-N 3.5Å; E175-L178 VanDerWaalsContact O-N 3.13Å; E175-T179 PolarHBondContact O-N 2.78Å; E175-T179 PolarHBondContact O-OG1 3Å; E175-T179 VanDerWaalsContact O-OG1 3.1Å; E175-L195 HydrophobicContact CB-CD2 4.05Å; E175-L195 HydrophobicContact CG-CB 4.32Å; E175-L195 HydrophobicContact CG-CD1 4.43Å; E175-L195 HydrophobicContact CG-CD2 4.4Å; E175-L195 WeakPolarHBondContact OE2-CB 3.15Å; E175-P196 WeakPolarHBondContact OE2-CD 3.35Å; E175-P196 WeakPolarHBondContact OE2-CG 3.37Å; E175-P196 VanDerWaalsContact OE2-N 3.15Å; E175-N197 VanDerWaalsContact OE1-CB 3.24Å; E175-N197 WeakPolarHBondContact OE1-CB 3.49Å; E175-N197 PolarHBondContact OE1-ND2 3.25Å; E175-N197 PolarHBondContact OE2-N 3.42Å; E175-I198 HydrophobicContact CG-CD1 3.57Å; E175-I198 HydrophobicContact CG-CG1 3.85Å; E175-I198 PolarHBondContact OE2-N 3.03Å
176	Q	96.5	Very high	94.2	Very high	122 Å²	122	57.2 Å²	57.2	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-57.5	-41.8	177.4	-67.2	175.1	1.3	0	0	112.7	E172 I174 K180	E172-Q176 WeakPolarHBondContact O-CG 3.3Å; E172-Q176 PolarHBondContact O-N 3.49Å; I174-Q176 VanDerWaalsContact C-N 3.32Å; I174-Q176 PolarHBondContact O-N 2.81Å; Q176-K180 VanDerWaalsContact O-CB 3.31Å; Q176-K180 WeakPolarHBondContact O-CB 3.37Å; Q176-K180 PolarHBondContact O-N 3.49Å; Q176-K180 VanDerWaalsContact O-N 3.15Å
177	K	97.1	Very high	94.7	Very high	19 Å²	19	57.2 Å²	57.2	8%	0.083	31%	0.311	C	S	.	.	H	α-helix	trans	-65.9	-43.2	177.2	-179	176.8	169.2	67.9	0	111.6	M151 W152 T154 L156 S173 I174 E175 K180 E181	M151-K177 WeakPolarHBondContact O-CE 3.49Å; W152-K177 HydrophobicContact CE3-CD 4.12Å; W152-K177 PolarHBondContact O-NZ 3.27Å; T154-K177 WeakPolarHBondContact O-CE 3.36Å; T154-K177 PolarHBondContact O-NZ 2.94Å; L156-K177 HydrophobicContact CD1-CD 4.27Å; L156-K177 HydrophobicContact CD1-CG 4.12Å; S173-K177 PolarHBondContact O-N 2.84Å; I174-K177 WeakPolarHBondContact O-CB 3.43Å; I174-K177 PolarHBondContact O-N 3.4Å; I174-K177 VanDerWaalsContact O-N 3.09Å; E175-K177 VanDerWaalsContact C-N 3.3Å; E175-K177 PolarHBondContact O-N 3.49Å; K177-K180 PolarHBondContact O-N 2.85Å; K177-E181 IonicContact NZ-OE1 3.27Å; K177-E181 PolarHBondContact NZ-OE1 2.95Å; K177-E181 IonicContact NZ-OE2 2.71Å; K177-E181 PolarHBondContact NZ-OE2 3.22Å; K177-E181 WeakPolarHBondContact O-CB 3.4Å; K177-E181 PolarHBondContact O-N 2.97Å
178	L	97.1	Very high	95.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-49.2	179.8	-68.5	167.7	0	0	0	110.8	L156 V162 I174 E175 K180 E181 L182 V188 L195 M216	L156-L178 HydrophobicContact CD1-CD2 3.8Å; V162-L178 HydrophobicContact CB-CD2 4.36Å; V162-L178 HydrophobicContact CG1-CD2 4.05Å; V162-L178 HydrophobicContact CG2-CD2 4.29Å; I174-L178 HydrophobicContact CG2-CD1 3.46Å; I174-L178 VanDerWaalsContact CG2-CD1 3.46Å; I174-L178 HydrophobicContact CG2-CG 3.79Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 VanDerWaalsContact O-CG 3.23Å; I174-L178 WeakPolarHBondContact O-CG 3.35Å; I174-L178 PolarHBondContact O-N 3.3Å; E175-L178 PolarHBondContact O-N 3.5Å; E175-L178 VanDerWaalsContact O-N 3.13Å; L178-K180 PolarHBondContact O-N 3.14Å; L178-E181 PolarHBondContact O-N 3.35Å; L178-L182 HydrophobicContact CB-CD1 4.01Å; L178-L182 HydrophobicContact CD2-CD1 3.49Å; L178-L182 VanDerWaalsContact CD2-CD1 3.49Å; L178-L182 HydrophobicContact CD2-CG 4.22Å; L178-L182 HydrophobicContact CG-CD1 4.33Å; L178-L182 VanDerWaalsContact O-CB 3.26Å; L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.34Å; L178-L182 PolarHBondContact O-N 3.5Å; L178-V188 HydrophobicContact CD1-CG1 3.89Å; L178-V188 HydrophobicContact CD1-CG2 4.47Å; L178-V188 HydrophobicContact CD2-CG1 4.39Å; L178-V188 HydrophobicContact CD2-CG2 4.16Å; L178-L195 HydrophobicContact CD1-CD1 4.23Å; L178-L195 HydrophobicContact CD1-CD2 4.14Å; L178-M216 HydrophobicContact CB-CE 3.91Å; L178-M216 HydrophobicContact CD1-CE 4.03Å
179	T	95.7	Very high	95.4	Very high	90 Å²	90	50.6 Å²	50.6	55%	0.552	27%	0.274	S	S	*	.	H	α-helix	trans	-61.5	-32.6	178.4	-55.2	0	0	0	0	112.4	E175	E175-T179 PolarHBondContact O-N 2.78Å; E175-T179 PolarHBondContact O-OG1 3Å; E175-T179 VanDerWaalsContact O-OG1 3.1Å
180	K	96.5	Very high	95.8	Very high	179 Å²	179	44.4 Å²	44.4	78%	0.778	24%	0.236	S	C	*	.	H	α-helix	trans	-78.7	-36.9	-179.7	-175.7	177.4	178.9	179.6	0	113.7	Q176 K177 L178	Q176-K180 VanDerWaalsContact O-CB 3.31Å; Q176-K180 WeakPolarHBondContact O-CB 3.37Å; Q176-K180 PolarHBondContact O-N 3.49Å; Q176-K180 VanDerWaalsContact O-N 3.15Å; K177-K180 PolarHBondContact O-N 2.85Å; L178-K180 PolarHBondContact O-N 3.14Å
181	E	97.3	Very high	96	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-108.7	-23.5	-167.7	-69.1	-178.6	-151.6	0	0	114.7	L156 S157 K177 L178	L156-E181 HydrophobicContact CB-CB 3.99Å; L156-E181 PolarHBondContact N-OE2 3.46Å; S157-E181 WeakPolarHBondContact CA-O 3.37Å; S157-E181 VanDerWaalsContact CB-O 3.23Å; S157-E181 WeakPolarHBondContact CB-O 3.48Å; S157-E181 PolarHBondContact N-O 2.96Å; K177-E181 IonicContact NZ-OE1 3.27Å; K177-E181 PolarHBondContact NZ-OE1 2.95Å; K177-E181 IonicContact NZ-OE2 2.71Å; K177-E181 PolarHBondContact NZ-OE2 3.22Å; K177-E181 WeakPolarHBondContact O-CB 3.4Å; K177-E181 PolarHBondContact O-N 2.97Å; L178-E181 PolarHBondContact O-N 3.35Å
182	L	96.5	Very high	95.9	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-79.6	144.8	-178.9	-69.4	178.4	0	0	0	112.2	L156 V162 L178 V188 M216	L156-L182 HydrophobicContact CB-CD2 3.84Å; L156-L182 HydrophobicContact CB-CG 4.42Å; V162-L182 HydrophobicContact CG2-CD1 4.05Å; V162-L182 HydrophobicContact CG2-CD2 3.68Å; V162-L182 HydrophobicContact CG2-CG 4.46Å; L178-L182 HydrophobicContact CB-CD1 4.01Å; L178-L182 HydrophobicContact CD2-CD1 3.49Å; L178-L182 VanDerWaalsContact CD2-CD1 3.49Å; L178-L182 HydrophobicContact CD2-CG 4.22Å; L178-L182 HydrophobicContact CG-CD1 4.33Å; L178-L182 VanDerWaalsContact O-CB 3.26Å; L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.34Å; L178-L182 PolarHBondContact O-N 3.5Å; L182-V188 HydrophobicContact CD1-CG2 3.38Å; L182-M216 HydrophobicContact CD1-CG 3.9Å
183	S	94.2	Very high	95.9	Very high	55 Å²	55	45.1 Å²	45.1	39%	0.385	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-73.5	152.6	170	48.8	0	0	0	0	111.8	G185 S186	S183-G185 PolarHBondContact O-N 3.3Å; S183-S186 VanDerWaalsContact O-CB 3.22Å; S183-S186 WeakPolarHBondContact O-CB 3.37Å; S183-S186 PolarHBondContact O-N 2.92Å; S183-S186 VanDerWaalsContact O-N 3.09Å; S183-S186 PolarHBondContact O-OG 2.76Å; S183-S186 PolarHBondContact OG-OG 3.02Å
184	N	93	Very high	96	Very high	149 Å²	149	44.7 Å²	44.7	80%	0.797	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	134	172.5	-63	-4.5	0	0	0	110.7	S186	N184-S186 VanDerWaalsContact C-N 3.34Å
185	G	92.8	Very high	96	Very high	25 Å²	25	44.9 Å²	44.9	26%	0.258	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	4.3	-175.9	0	0	0	0	0	114.6	K82 S183 M216	K82-G185 WeakPolarHBondContact CE-O 3.2Å; K82-G185 PolarHBondContact NZ-O 3.06Å; S183-G185 PolarHBondContact O-N 3.3Å; G185-M216 WeakPolarHBondContact CA-O 3.47Å; G185-M216 PolarHBondContact N-O 3.26Å
186	S	96.7	Very high	96	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.007	25%	0.249	C	C	.	.			trans	-66.4	146.9	169.5	-70	0	0	0	0	111	D160 S183 N184 M216	D160-S186 CarbonylContact O-C 3.57Å; D160-S186 VanDerWaalsContact O-CA 3.27Å; D160-S186 WeakPolarHBondContact O-CA 3.42Å; S183-S186 VanDerWaalsContact O-CB 3.22Å; S183-S186 WeakPolarHBondContact O-CB 3.37Å; S183-S186 PolarHBondContact O-N 2.92Å; S183-S186 VanDerWaalsContact O-N 3.09Å; S183-S186 PolarHBondContact O-OG 2.76Å; S183-S186 PolarHBondContact OG-OG 3.02Å; N184-S186 VanDerWaalsContact C-N 3.34Å; S186-M216 PolarHBondContact O-N 3.49Å
187	I	97.6	Very high	95.9	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.4	-179.4	-66.9	161.3	0	0	0	108	L75 A78 K82 L87 D160 T161 V162 L213	L75-I187 HydrophobicContact CD2-CG2 4.36Å; A78-I187 HydrophobicContact CB-CD1 3.71Å; A78-I187 HydrophobicContact CB-CG1 4.14Å; A78-I187 HydrophobicContact CB-CG2 4.07Å; K82-I187 HydrophobicContact CD-CD1 4.05Å; L87-I187 HydrophobicContact CD2-CD1 3.86Å; D160-I187 PolarHBondContact O-N 3.02Å; T161-I187 CarbonylContact C-O 3.49Å; T161-I187 WeakPolarHBondContact CA-O 3.17Å; T161-I187 HydrophobicContact CG2-CB 4.28Å; T161-I187 HydrophobicContact CG2-CG2 4.15Å; V162-I187 PolarHBondContact N-O 3Å; I187-L213 HydrophobicContact CG2-CD1 3.51Å
188	V	98.1	Very high	95.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.1	171.7	-176.2	0	0	0	0	108.9	V162 L178 L182 T190 L213 Y214 M216	V162-V188 HydrophobicContact CB-CG1 4.4Å; V162-V188 HydrophobicContact CB-CG2 4.3Å; V162-V188 CarbonylContact O-C 3.55Å; V162-V188 WeakPolarHBondContact O-CA 3.23Å; L178-V188 HydrophobicContact CD1-CG1 3.89Å; L178-V188 HydrophobicContact CD1-CG2 4.47Å; L178-V188 HydrophobicContact CD2-CG1 4.39Å; L178-V188 HydrophobicContact CD2-CG2 4.16Å; L182-V188 HydrophobicContact CD1-CG2 3.38Å; V188-T190 HydrophobicContact CG1-CG2 4.16Å; V188-L213 CarbonylContact O-C 3.49Å; V188-L213 WeakPolarHBondContact O-CA 3.3Å; V188-Y214 PolarHBondContact N-O 3.15Å; V188-Y214 PolarHBondContact O-N 2.95Å; V188-M216 HydrophobicContact CB-CE 4.23Å; V188-M216 HydrophobicContact CG2-CE 3.75Å; V188-M216 HydrophobicContact CG2-CG 3.82Å
189	I	97.9	Very high	95.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.1	167.5	-62.3	-69	0	0	0	108.4	T71 L74 L75 V162 L163 L164 V211 Y212 L213	T71-I189 HydrophobicContact CG2-CG2 4.12Å; L74-I189 HydrophobicContact CB-CD1 3.8Å; L74-I189 HydrophobicContact CD1-CD1 4.42Å; L75-I189 HydrophobicContact CD2-CD1 4.33Å; L75-I189 HydrophobicContact CD2-CG1 3.69Å; L75-I189 HydrophobicContact CG-CD1 4.45Å; L75-I189 HydrophobicContact CG-CG1 4.03Å; V162-I189 PolarHBondContact O-N 2.99Å; L163-I189 HydrophobicContact CD2-CB 3.74Å; L163-I189 HydrophobicContact CD2-CG1 3.94Å; L163-I189 HydrophobicContact CD2-CG2 4.43Å; L164-I189 PolarHBondContact N-O 2.81Å; I189-V211 HydrophobicContact CG2-CG1 3.39Å; I189-Y212 VanDerWaalsContact CA-O 3.28Å; I189-Y212 WeakPolarHBondContact CA-O 3.14Å; I189-L213 HydrophobicContact CD1-CB 3.82Å; I189-L213 HydrophobicContact CD1-CD1 3.52Å; I189-L213 HydrophobicContact CD1-CG 4.26Å; I189-L213 HydrophobicContact CG1-CD1 4.44Å
190	T	96.7	Very high	95.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.8	165.8	74.3	0	0	0	0	110	L164 V188 Y193 L195 V211 Y212 Y214	L164-T190 HydrophobicContact CB-CG2 4.36Å; L164-T190 HydrophobicContact CD2-CG2 4Å; L164-T190 WeakPolarHBondContact O-CA 3.43Å; V188-T190 HydrophobicContact CG1-CG2 4.16Å; T190-Y193 WeakPolarHBondContact CB-O 3.25Å; T190-Y193 PolarHBondContact OG1-O 2.99Å; T190-L195 HydrophobicContact CG2-CD2 4.09Å; T190-L195 HydrophobicContact CG2-CG 4.09Å; T190-V211 WeakPolarHBondContact O-CA 3.4Å; T190-V211 WeakPolarHBondContact O-CG1 3.46Å; T190-Y212 PolarHBondContact N-O 3.2Å; T190-Y212 PolarHBondContact O-N 2.98Å; T190-Y214 HydrophobicContact CG2-CD2 4.31Å; T190-Y214 HydrophobicContact CG2-CE2 3.9Å
191	A	95.2	Very high	95.8	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.4	178.8	0	0	0	0	0	110.3	Q67 L164 F165 Y193	Q67-A191 HydrophobicContact CG-CB 4.3Å; L164-A191 PolarHBondContact O-N 3.15Å; F165-A191 HydrophobicContact CB-CB 4.46Å; F165-A191 HydrophobicContact CD1-CB 3.33Å; F165-A191 HydrophobicContact CD2-CB 4.09Å; F165-A191 HydrophobicContact CE1-CB 3.35Å; F165-A191 HydrophobicContact CE2-CB 4.07Å; F165-A191 HydrophobicContact CG-CB 3.71Å; F165-A191 HydrophobicContact CZ-CB 3.72Å; A191-Y193 PolarHBondContact O-N 3.28Å
192	R	93.5	Very high	95.8	Very high	88 Å²	88	51.5 Å²	51.5	33%	0.332	28%	0.279	S	S	.	.	S	Bend	trans	65.5	-41.1	178.9	-171.7	174	173.2	144.8	0.1	115.7	S210	R192-S210 WeakPolarHBondContact CA-O 3.22Å; R192-S210 PolarHBondContact N-O 3.22Å
193	Y	94.9	Very high	95.9	Very high	60 Å²	60	53 Å²	53	24%	0.235	29%	0.291	C	S	.	.	S	Bend	trans	-120.5	127.3	-177.9	-59	-76.4	0	0	0	110.5	G166 D168 T190 A191	G166-Y193 WeakPolarHBondContact O-CD2 3.39Å; D168-Y193 HydrophobicContact CB-CD1 3.67Å; D168-Y193 HydrophobicContact CB-CE1 3.74Å; D168-Y193 HydrophobicContact CB-CG 4.2Å; T190-Y193 WeakPolarHBondContact CB-O 3.25Å; T190-Y193 PolarHBondContact OG1-O 2.99Å; A191-Y193 PolarHBondContact O-N 3.28Å
194	P	96.2	Very high	96.1	Very high	52 Å²	52	52.4 Å²	52.4	34%	0.338	28%	0.283	S	S	.	.			trans	-74.9	160.5	172.8	31.8	-33.2	0	0	0	111.2	Y212 Y214	P194-Y212 HydrophobicContact CB-CD1 3.94Å; P194-Y212 HydrophobicContact CB-CD2 4.1Å; P194-Y212 HydrophobicContact CB-CE1 3.9Å; P194-Y212 HydrophobicContact CB-CE2 4.07Å; P194-Y212 HydrophobicContact CB-CG 4.06Å; P194-Y212 HydrophobicContact CG-CE1 4.35Å; P194-Y212 HydrophobicContact CG-CE2 4.37Å; P194-Y214 VanDerWaalsContact CA-OH 3.26Å; P194-Y214 WeakPolarHBondContact CA-OH 3.38Å; P194-Y214 VanDerWaalsContact CB-OH 3.29Å; P194-Y214 WeakPolarHBondContact CB-OH 3.35Å
195	L	96.4	Very high	96.2	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.031	28%	0.277	C	S	.	.			trans	-65.3	135.3	164.5	-61.4	176.3	0	0	0	109.7	E175 L178 T190 I198 Y214 M216	E175-L195 HydrophobicContact CB-CD2 4.05Å; E175-L195 HydrophobicContact CG-CB 4.32Å; E175-L195 HydrophobicContact CG-CD1 4.43Å; E175-L195 HydrophobicContact CG-CD2 4.4Å; E175-L195 WeakPolarHBondContact OE2-CB 3.15Å; L178-L195 HydrophobicContact CD1-CD1 4.23Å; L178-L195 HydrophobicContact CD1-CD2 4.14Å; T190-L195 HydrophobicContact CG2-CD2 4.09Å; T190-L195 HydrophobicContact CG2-CG 4.09Å; L195-I198 HydrophobicContact CB-CB 4.3Å; L195-I198 HydrophobicContact CD1-CB 4.32Å; L195-I198 HydrophobicContact CD1-CD1 4.3Å; L195-Y214 HydrophobicContact CB-CE1 4.05Å; L195-Y214 HydrophobicContact CB-CE2 4.48Å; L195-Y214 HydrophobicContact CD1-CD1 3.98Å; L195-Y214 HydrophobicContact CD1-CD2 3.89Å; L195-Y214 HydrophobicContact CD1-CE1 4.02Å; L195-Y214 HydrophobicContact CD1-CE2 3.95Å; L195-Y214 HydrophobicContact CD1-CG 3.91Å; L195-Y214 HydrophobicContact CG-CD2 4.35Å; L195-Y214 HydrophobicContact CG-CE1 4.21Å; L195-Y214 HydrophobicContact CG-CE2 3.9Å; L195-Y214 PolarHBondContact N-OH 3.11Å; L195-M216 HydrophobicContact CD1-CE 3.74Å
196	P	95.2	Very high	96.4	Very high	72 Å²	72	53.4 Å²	53.4	47%	0.468	28%	0.282	S	S	.	.	S	Bend	trans	-67.9	-37.9	-170.5	23.5	-34.1	0	0	0	114.9	E172 E175	E172-P196 HydrophobicContact CB-CG 4.13Å; E175-P196 WeakPolarHBondContact OE2-CD 3.35Å; E175-P196 WeakPolarHBondContact OE2-CG 3.37Å; E175-P196 VanDerWaalsContact OE2-N 3.15Å
197	N	95.5	Very high	96.2	Very high	123 Å²	123	55.9 Å²	55.9	66%	0.658	31%	0.307	S	S	*	.	S	Bend	trans	-110.3	-22.7	-174.4	-42.2	-70.8	0	0	0	113.4	E175	E175-N197 VanDerWaalsContact OE1-CB 3.24Å; E175-N197 WeakPolarHBondContact OE1-CB 3.49Å; E175-N197 PolarHBondContact OE1-ND2 3.25Å; E175-N197 PolarHBondContact OE2-N 3.42Å
198	I	95.4	Very high	95.9	Very high	46 Å²	46	58.6 Å²	58.6	24%	0.236	33%	0.326	C	S	.	.	S	Bend	trans	-87.9	129.4	178.8	-58.1	179.1	0	0	0	109.7	E175 L195 Y214 M216	E175-I198 HydrophobicContact CG-CD1 3.57Å; E175-I198 HydrophobicContact CG-CG1 3.85Å; E175-I198 PolarHBondContact OE2-N 3.03Å; L195-I198 HydrophobicContact CB-CB 4.3Å; L195-I198 HydrophobicContact CD1-CB 4.32Å; L195-I198 HydrophobicContact CD1-CD1 4.3Å; I198-Y214 HydrophobicContact CB-CD1 4.34Å; I198-Y214 HydrophobicContact CB-CE1 4.45Å; I198-Y214 HydrophobicContact CG2-CD1 3.72Å; I198-Y214 HydrophobicContact CG2-CE1 4.25Å; I198-Y214 VanDerWaalsContact O-CE1 3.29Å; I198-Y214 WeakPolarHBondContact O-CE1 3.46Å; I198-M216 HydrophobicContact CD1-CE 3.94Å; I198-M216 HydrophobicContact CD1-SD 3.97Å
199	Q	95.8	Very high	95.7	Very high	174 Å²	174	60.9 Å²	60.9	81%	0.813	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-77	132.3	174.8	-171.7	175.4	1.9	0	0	111.5	S201	Q199-S201 PolarHBondContact O-N 3.44Å
200	A	97.2	Very high	95.7	Very high	25 Å²	25	61.1 Å²	61.1	21%	0.207	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-66.7	133.1	176.2	0	0	0	0	0	111.2	K202 Y212 L213 Y214	A200-K202 VanDerWaalsContact C-N 3.3Å; A200-Y212 HydrophobicContact CB-CD1 4.21Å; A200-L213 CarbonylContact C-O 3.54Å; A200-L213 WeakPolarHBondContact CA-O 3.38Å; A200-Y214 HydrophobicContact CB-CD1 4.21Å; A200-Y214 HydrophobicContact CB-CE1 3.69Å
201	S	96.3	Very high	95.7	Very high	71 Å²	71	61.1 Å²	61.1	50%	0.497	34%	0.338	S	S	.	.	S	Bend	trans	-67.2	-34.2	173.3	-48.6	0	0	0	0	111.8	Q199 L213 K215	Q199-S201 PolarHBondContact O-N 3.44Å; S201-L213 PolarHBondContact N-O 3.41Å; S201-K215 PolarHBondContact OG-N 3.49Å
202	K	97.6	Very high	95.9	Very high	108 Å²	108	62.6 Å²	62.6	47%	0.47	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	146.3	173.1	-162.3	77.4	177.9	-171.2	0	108.8	L74 Y77 A200 L213	L74-K202 HydrophobicContact CD2-CB 3.9Å; L74-K202 HydrophobicContact CD2-CG 3.62Å; Y77-K202 HydrophobicContact CE1-CB 4.32Å; A200-K202 VanDerWaalsContact C-N 3.3Å; K202-L213 HydrophobicContact CB-CB 4.23Å; K202-L213 HydrophobicContact CB-CD2 4.02Å; K202-L213 PolarHBondContact N-O 3.33Å; K202-L213 WeakPolarHBondContact O-CB 3.15Å; K202-L213 PolarHBondContact O-N 3.24Å
203	S	97.5	Very high	96.1	Very high	49 Å²	49	58.8 Å²	58.8	34%	0.343	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.8	174.9	56.7	0	0	0	0	110.7	V211	S203-V211 CarbonylContact C-O 3.54Å; S203-V211 WeakPolarHBondContact CA-O 3.46Å
204	I	97.7	Very high	96.2	Very high	42 Å²	42	56 Å²	56	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.8	166.6	-61	172.6	0	0	0	105.2	Y70 K73 L74 S210 V211	Y70-I204 HydrophobicContact CD1-CD1 3.88Å; Y70-I204 HydrophobicContact CD1-CG2 3.79Å; Y70-I204 HydrophobicContact CD2-CG2 3.86Å; Y70-I204 HydrophobicContact CE1-CG2 3.95Å; Y70-I204 HydrophobicContact CE2-CG2 4.03Å; Y70-I204 HydrophobicContact CG-CB 4.24Å; Y70-I204 HydrophobicContact CG-CD1 4.07Å; Y70-I204 HydrophobicContact CG-CG2 3.74Å; K73-I204 HydrophobicContact CB-CD1 4.3Å; L74-I204 HydrophobicContact CD2-CD1 4.25Å; L74-I204 HydrophobicContact CD2-CG1 4.24Å; L74-I204 HydrophobicContact CG-CD1 4.06Å; L74-I204 HydrophobicContact CG-CG1 4.35Å; I204-S210 CarbonylContact O-C 3.54Å; I204-S210 WeakPolarHBondContact O-CA 3.3Å; I204-V211 PolarHBondContact N-O 3.36Å; I204-V211 PolarHBondContact O-N 3.35Å
205	I	96.6	Very high	96.2	Very high	131 Å²	131	60.4 Å²	60.4	67%	0.672	33%	0.332	S	S	*	.			trans	-100.4	114.4	-176.6	-57.9	171.3	0	0	0	107.7
206	D	95.6	Very high	96	Very high	64 Å²	64	62.8 Å²	62.8	34%	0.342	34%	0.344	S	S	.	.			trans	-149.7	68.8	179.2	-179.6	28	0	0	0	109.1	Y70 H209 S210	Y70-D206 HydrophobicContact CE2-CB 3.73Å; Y70-D206 WeakPolarHBondContact CE2-OD2 3.27Å; Y70-D206 PolarHBondContact OH-OD2 3.45Å; D206-H209 HydrophobicContact CB-CB 4.29Å; D206-H209 WeakPolarHBondContact O-CA 3.22Å; D206-H209 WeakPolarHBondContact O-CB 3.49Å; D206-H209 PolarHBondContact O-N 3.4Å; D206-H209 IonicContact OD2-CD2 2.9Å; D206-H209 PolarHBondContact OD2-CD2 2.89Å; D206-H209 IonicContact OD2-CG 2.88Å; D206-S210 PolarHBondContact N-OG 3.43Å; D206-S210 PolarHBondContact O-N 3.08Å
207	G	93.3	Very high	96.1	Very high	53 Å²	53	62.3 Å²	62.3	55%	0.546	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	45.8	-122.8	-179.5	0	0	0	0	0	113	H209 S210	G207-H209 PolarHBondContact O-N 3.27Å; G207-S210 PolarHBondContact N-OG 3.09Å; G207-S210 WeakPolarHBondContact O-CB 3.43Å; G207-S210 PolarHBondContact O-N 2.74Å; G207-S210 PolarHBondContact O-OG 2.87Å
208	P	91.3	Very high	96.1	Very high	66 Å²	66	59.1 Å²	59.1	43%	0.429	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-70.8	-10.5	-179.2	32.2	-36	0	0	0	114.1	Q67	Q67-P208 PolarHBondContact NE2-O 2.96Å
209	H	94.7	Very high	96.1	Very high	48 Å²	48	59.8 Å²	59.8	22%	0.222	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-94.7	1	179.2	-50.2	-38.9	0	0	0	112.8	T64 P66 Q67 Y70 D206 G207 V211	T64-H209 PolarHBondContact OG1-CE1 2.77Å; T64-H209 PolarHBondContact OG1-ND1 2.82Å; P66-H209 HydrophobicContact CB-CB 4.37Å; Q67-H209 HydrophobicContact CB-CB 4.37Å; Y70-H209 HydrophobicContact CD2-CB 4.38Å; Y70-H209 WeakPolarHBondContact CD2-O 3.33Å; Y70-H209 HydrophobicContact CE2-CB 4.13Å; D206-H209 HydrophobicContact CB-CB 4.29Å; D206-H209 WeakPolarHBondContact O-CA 3.22Å; D206-H209 WeakPolarHBondContact O-CB 3.49Å; D206-H209 PolarHBondContact O-N 3.4Å; D206-H209 IonicContact OD2-CD2 2.9Å; D206-H209 PolarHBondContact OD2-CD2 2.89Å; D206-H209 IonicContact OD2-CG 2.88Å; G207-H209 PolarHBondContact O-N 3.27Å; H209-V211 WeakPolarHBondContact O-CG2 3.42Å
210	S	96.8	Very high	96.2	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.028	30%	0.297	C	S	.	.			trans	-55.1	142.6	-178.5	-56.5	0	0	0	0	112.4	R192 I204 D206 G207	R192-S210 WeakPolarHBondContact CA-O 3.22Å; R192-S210 PolarHBondContact N-O 3.22Å; I204-S210 CarbonylContact O-C 3.54Å; I204-S210 WeakPolarHBondContact O-CA 3.3Å; D206-S210 PolarHBondContact N-OG 3.43Å; D206-S210 PolarHBondContact O-N 3.08Å; G207-S210 PolarHBondContact N-OG 3.09Å; G207-S210 WeakPolarHBondContact O-CB 3.43Å; G207-S210 PolarHBondContact O-N 2.74Å; G207-S210 PolarHBondContact O-OG 2.87Å
211	V	97.9	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.9	178	-169.8	0	0	0	0	109.5	Q67 L74 I189 T190 S203 I204 H209	Q67-V211 HydrophobicContact CG-CG2 3.71Å; L74-V211 HydrophobicContact CD1-CB 3.84Å; L74-V211 HydrophobicContact CD1-CG1 3.68Å; L74-V211 WeakPolarHBondContact CD1-O 3.46Å; I189-V211 HydrophobicContact CG2-CG1 3.39Å; T190-V211 WeakPolarHBondContact O-CA 3.4Å; T190-V211 WeakPolarHBondContact O-CG1 3.46Å; S203-V211 CarbonylContact C-O 3.54Å; S203-V211 WeakPolarHBondContact CA-O 3.46Å; I204-V211 PolarHBondContact N-O 3.36Å; I204-V211 PolarHBondContact O-N 3.35Å; H209-V211 WeakPolarHBondContact O-CG2 3.42Å
212	Y	98.2	Very high	96.1	Very high	32 Å²	32	53.8 Å²	53.8	13%	0.125	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136	-175.1	-53	-91.9	0	0	0	109.7	I189 T190 P194 A200	I189-Y212 VanDerWaalsContact CA-O 3.28Å; I189-Y212 WeakPolarHBondContact CA-O 3.14Å; T190-Y212 PolarHBondContact N-O 3.2Å; T190-Y212 PolarHBondContact O-N 2.98Å; P194-Y212 HydrophobicContact CB-CD1 3.94Å; P194-Y212 HydrophobicContact CB-CD2 4.1Å; P194-Y212 HydrophobicContact CB-CE1 3.9Å; P194-Y212 HydrophobicContact CB-CE2 4.07Å; P194-Y212 HydrophobicContact CB-CG 4.06Å; P194-Y212 HydrophobicContact CG-CE1 4.35Å; P194-Y212 HydrophobicContact CG-CE2 4.37Å; A200-Y212 HydrophobicContact CB-CD1 4.21Å
213	L	98.3	Very high	96	Very high	8 Å²	8	49.9 Å²	49.9	4%	0.042	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.5	176.1	170	70.7	0	0	0	109.2	L74 Y77 A78 I187 V188 I189 A200 S201 K202	L74-L213 HydrophobicContact CB-CB 4.31Å; L74-L213 HydrophobicContact CD1-CB 4.21Å; L74-L213 HydrophobicContact CD2-CB 4.33Å; Y77-L213 HydrophobicContact CD1-CD2 3.65Å; Y77-L213 HydrophobicContact CE1-CD2 4.04Å; A78-L213 HydrophobicContact CB-CD1 3.86Å; A78-L213 HydrophobicContact CB-CD2 4.04Å; I187-L213 HydrophobicContact CG2-CD1 3.51Å; V188-L213 CarbonylContact O-C 3.49Å; V188-L213 WeakPolarHBondContact O-CA 3.3Å; I189-L213 HydrophobicContact CD1-CB 3.82Å; I189-L213 HydrophobicContact CD1-CD1 3.52Å; I189-L213 HydrophobicContact CD1-CG 4.26Å; I189-L213 HydrophobicContact CG1-CD1 4.44Å; A200-L213 CarbonylContact C-O 3.54Å; A200-L213 WeakPolarHBondContact CA-O 3.38Å; S201-L213 PolarHBondContact N-O 3.41Å; K202-L213 HydrophobicContact CB-CB 4.23Å; K202-L213 HydrophobicContact CB-CD2 4.02Å; K202-L213 PolarHBondContact N-O 3.33Å; K202-L213 WeakPolarHBondContact O-CB 3.15Å; K202-L213 PolarHBondContact O-N 3.24Å
214	Y	97.9	Very high	95.9	Very high	2 Å²	2	50 Å²	50	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.2	174.6	-53.2	-92.2	0	0	0	109.7	V188 T190 P194 L195 I198 A200	V188-Y214 PolarHBondContact N-O 3.15Å; V188-Y214 PolarHBondContact O-N 2.95Å; T190-Y214 HydrophobicContact CG2-CD2 4.31Å; T190-Y214 HydrophobicContact CG2-CE2 3.9Å; P194-Y214 VanDerWaalsContact CA-OH 3.26Å; P194-Y214 WeakPolarHBondContact CA-OH 3.38Å; P194-Y214 VanDerWaalsContact CB-OH 3.29Å; P194-Y214 WeakPolarHBondContact CB-OH 3.35Å; L195-Y214 HydrophobicContact CB-CE1 4.05Å; L195-Y214 HydrophobicContact CB-CE2 4.48Å; L195-Y214 HydrophobicContact CD1-CD1 3.98Å; L195-Y214 HydrophobicContact CD1-CD2 3.89Å; L195-Y214 HydrophobicContact CD1-CE1 4.02Å; L195-Y214 HydrophobicContact CD1-CE2 3.95Å; L195-Y214 HydrophobicContact CD1-CG 3.91Å; L195-Y214 HydrophobicContact CG-CD2 4.35Å; L195-Y214 HydrophobicContact CG-CE1 4.21Å; L195-Y214 HydrophobicContact CG-CE2 3.9Å; L195-Y214 PolarHBondContact N-OH 3.11Å; I198-Y214 HydrophobicContact CB-CD1 4.34Å; I198-Y214 HydrophobicContact CB-CE1 4.45Å; I198-Y214 HydrophobicContact CG2-CD1 3.72Å; I198-Y214 HydrophobicContact CG2-CE1 4.25Å; I198-Y214 VanDerWaalsContact O-CE1 3.29Å; I198-Y214 WeakPolarHBondContact O-CE1 3.46Å; A200-Y214 HydrophobicContact CB-CD1 4.21Å; A200-Y214 HydrophobicContact CB-CE1 3.69Å
215	K	95.5	Very high	95.7	Very high	145 Å²	145	50.7 Å²	50.7	63%	0.63	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.4	166.3	-172.7	178.1	-179.3	-177.8	0	107	S201	S201-K215 PolarHBondContact OG-N 3.49Å
216	M	92.7	Very high	95.6	Very high	55 Å²	55	43.4 Å²	43.4	27%	0.271	24%	0.24	S	C	.	.			trans	-82	0	175.6	-60.7	-63.2	-179.9	0	0	111	L178 L182 G185 S186 V188 L195 I198	L178-M216 HydrophobicContact CB-CE 3.91Å; L178-M216 HydrophobicContact CD1-CE 4.03Å; L182-M216 HydrophobicContact CD1-CG 3.9Å; G185-M216 WeakPolarHBondContact CA-O 3.47Å; G185-M216 PolarHBondContact N-O 3.26Å; S186-M216 PolarHBondContact O-N 3.49Å; V188-M216 HydrophobicContact CB-CE 4.23Å; V188-M216 HydrophobicContact CG2-CE 3.75Å; V188-M216 HydrophobicContact CG2-CG 3.82Å; L195-M216 HydrophobicContact CD1-CE 3.74Å; I198-M216 HydrophobicContact CD1-CE 3.94Å; I198-M216 HydrophobicContact CD1-SD 3.97Å

Retrieved 216 of 216 residues in 56.7 ms (Link to these results)

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