G4VME8_SCHMA Loading...

Putative ring finger protein 151

AlphaFold DB , UniProt , Accession G4VME8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 204 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	36.3	Very low	34.8	Very low	244 Å²	244	154.3 Å²	154.3	100%	1.202	82%	0.823	S	S	*	*				0	78.6	0	-67.8	165.3	151.3	0	0	106.4
2	K	31.8	Very low	34.9	Very low	213 Å²	213	151.8 Å²	151.8	93%	0.926	82%	0.817	S	S	*	*				60.2	94.9	77.3	-75.8	-168.8	178.6	-177	0	114.2
3	S	36.9	Very low	34.8	Very low	126 Å²	126	151.8 Å²	151.8	88%	0.881	82%	0.817	S	S	*	*				-162.3	132.6	114.4	62	0	0	0	0	110.7
4	S	29.6	Very low	35.3	Very low	109 Å²	109	154.2 Å²	154.2	76%	0.762	82%	0.821	S	S	*	*			trans	-105.2	151.5	170.1	151.7	0	0	0	0	106.5
5	L	40.8	Very low	35.5	Very low	167 Å²	167	154.5 Å²	154.5	87%	0.874	82%	0.821	S	S	*	*			trans	173.5	138.6	154.1	-87	144.2	0	0	0	105.9
6	H	36.3	Very low	35.4	Very low	136 Å²	136	153.7 Å²	153.7	63%	0.63	82%	0.816	S	S	*	*			cis	-172.1	133.1	-15.6	-176.2	61.6	0	0	0	103.4	Q8	H6-Q8 PolarHBondContact NE2-NE2 3.43Å
7	N	32.2	Very low	35.6	Very low	142 Å²	142	149.9 Å²	149.9	76%	0.759	81%	0.805	S	S	*	*			trans	-95.6	124.8	178	-160.7	12.6	0	0	0	108.3
8	Q	36.3	Very low	35.8	Very low	156 Å²	156	153.2 Å²	153.2	73%	0.729	81%	0.806	S	S	*	*			trans	-135.3	89.2	166.9	-85.8	-176.6	-3.2	0	0	110	H6	H6-Q8 PolarHBondContact NE2-NE2 3.43Å
9	S	31.4	Very low	35.6	Very low	97 Å²	97	151 Å²	151	68%	0.678	80%	0.803	S	S	*	*			trans	-78.8	114.1	156.4	49.3	0	0	0	0	109.6
10	T	36.3	Very low	35.5	Very low	124 Å²	124	150.4 Å²	150.4	76%	0.761	80%	0.799	S	S	*	*			trans	-161.7	133.7	158.1	7.3	0	0	0	0	111.3
11	Q	34.7	Very low	35.6	Very low	183 Å²	183	151.3 Å²	151.3	86%	0.855	80%	0.803	S	S	*	*			trans	72.6	74.1	162.8	-69	179.3	-14.2	0	0	119.2
12	V	35.9	Very low	35.4	Very low	124 Å²	124	146.7 Å²	146.7	75%	0.752	78%	0.783	S	S	*	*			trans	-147	72.2	141	-162.1	0	0	0	0	109.3
13	N	34.3	Very low	35.4	Very low	152 Å²	152	141.6 Å²	141.6	81%	0.813	77%	0.774	S	S	*	*			trans	-122.2	24.5	-179	-120.4	18.3	0	0	0	114
14	E	41.7	Very low	35.4	Very low	186 Å²	186	144.1 Å²	144.1	87%	0.869	77%	0.772	S	S	*	*	S	Bend	trans	-131.6	9	-174.4	-98.9	177.3	165.1	0	0	116.2
15	L	37.9	Very low	35.6	Very low	158 Å²	158	143.8 Å²	143.8	83%	0.827	77%	0.769	S	S	*	*	S	Bend	trans	-121.4	15.8	177.4	-68.9	171.8	0	0	0	113.9	S17	L15-S17 PolarHBondContact O-N 3.1Å
16	L	34.8	Very low	35.3	Very low	142 Å²	142	145.4 Å²	145.4	74%	0.743	77%	0.772	S	S	*	*			trans	-99.6	40.9	-169.8	-114.3	148.7	0	0	0	113
17	S	38.4	Very low	35.3	Very low	89 Å²	89	144.8 Å²	144.8	62%	0.622	78%	0.778	S	S	*	*			trans	-107.6	-1.4	-175.3	48.1	0	0	0	0	116.3	L15	L15-S17 PolarHBondContact O-N 3.1Å
18	Y	38.1	Very low	35.4	Very low	209 Å²	209	144.3 Å²	144.3	82%	0.82	78%	0.781	S	S	*	*	S	Bend	trans	-129.7	15.8	-163.2	-88.7	-71	0	0	0	120.6
19	C	32.1	Very low	35.3	Very low	112 Å²	112	143.3 Å²	143.3	76%	0.757	79%	0.785	S	S	*	*	S	Bend	trans	-160.9	71	165.4	-110.1	0	0	0	0	112.7
20	L	33.8	Very low	35.4	Very low	138 Å²	138	146.2 Å²	146.2	72%	0.723	79%	0.793	S	S	*	*			trans	-137.5	92.3	160.4	-71.5	175.7	0	0	0	107
21	I	38.7	Very low	35.5	Very low	171 Å²	171	146.9 Å²	146.9	88%	0.877	80%	0.797	S	S	*	*			trans	-132.6	121.2	158.8	-56.2	179.3	0	0	0	107.9
22	D	31.8	Very low	35.5	Very low	147 Å²	147	143.8 Å²	143.8	79%	0.786	79%	0.791	S	S	*	*			trans	-56.1	142.9	-179.1	-65.8	-56.3	0	0	0	112.8	Q24	D22-Q24 PolarHBondContact O-N 3.04Å
23	S	32.3	Very low	35.6	Very low	106 Å²	106	144.7 Å²	144.7	74%	0.741	80%	0.797	S	S	*	*	S	Bend	trans	-69.1	97.8	164.8	-47.6	0	0	0	0	109.1
24	Q	36.7	Very low	35.6	Very low	179 Å²	179	144.6 Å²	144.6	84%	0.836	80%	0.796	S	S	*	*			trans	-171.3	122.6	152	-103.4	154.3	94.4	0	0	112.5	D22	D22-Q24 PolarHBondContact O-N 3.04Å
25	S	34.2	Very low	35.7	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	80%	0.798	S	S	*	*			trans	57.9	103	154.7	56.5	0	0	0	0	119.9
26	H	33.7	Very low	35.7	Very low	202 Å²	202	140.7 Å²	140.7	94%	0.935	79%	0.792	S	S	*	*			trans	-102.7	93.5	146.7	-83.5	-60.3	0	0	0	109.7
27	T	37.1	Very low	35.8	Very low	123 Å²	123	140.7 Å²	140.7	76%	0.755	79%	0.793	S	S	*	*			trans	-86.9	134.1	144.5	27.3	0	0	0	0	108.4
28	T	32.7	Very low	36.2	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	80%	0.804	S	S	*	*			trans	-54.2	134.7	-178.4	-18.9	0	0	0	0	113.4
29	T	35.2	Very low	36.2	Very low	134 Å²	134	143.7 Å²	143.7	82%	0.822	81%	0.808	S	S	*	*			trans	-172	124.6	139.6	12.3	0	0	0	0	111.6
30	N	34	Very low	36.2	Very low	159 Å²	159	144.3 Å²	144.3	85%	0.85	81%	0.809	S	S	*	*			trans	-77.4	129	170.7	-70.9	-24.8	0	0	0	110.1
31	T	38.5	Very low	36.5	Very low	137 Å²	137	143.7 Å²	143.7	84%	0.84	81%	0.811	S	S	*	*			trans	-149.5	119.4	151.2	-33.3	0	0	0	0	111
32	T	34.5	Very low	36.4	Very low	119 Å²	119	141.3 Å²	141.3	73%	0.73	80%	0.804	S	S	*	*			trans	-72.8	135.4	175.9	-17.3	0	0	0	0	111.2
33	T	37.9	Very low	36.4	Very low	142 Å²	142	141.4 Å²	141.4	87%	0.871	81%	0.805	S	S	*	*			trans	-151.6	124.1	146.7	34.9	0	0	0	0	109.9
34	N	34	Very low	36.7	Very low	150 Å²	150	143 Å²	143	80%	0.802	80%	0.804	S	S	*	*			trans	-77.8	142.3	176.6	-69.6	-25.4	0	0	0	110.6
35	T	43.3	Very low	36.9	Very low	146 Å²	146	141.1 Å²	141.1	90%	0.896	80%	0.799	S	S	*	*			trans	-151.7	136.5	144.6	11.8	0	0	0	0	110.5
36	T	38.5	Very low	37.8	Very low	116 Å²	116	141.1 Å²	141.1	71%	0.712	79%	0.791	S	S	*	*			trans	-58.9	150.3	-169.6	31.8	0	0	0	0	118.7
37	D	35.9	Very low	39	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	77%	0.769	S	S	*	*			trans	79.4	105	144.8	-56.7	-21.5	0	0	0	120.9
38	I	47.4	Very low	40.5	Very low	167 Å²	167	136.4 Å²	136.4	86%	0.856	77%	0.771	S	S	*	*				-162.1	116.9	125.9	-85.4	141.2	0	0	0	107.7
39	Q	37.8	Very low	42.8	Very low	194 Å²	194	130.9 Å²	130.9	91%	0.907	74%	0.736	S	S	*	*			trans	-86.3	123.6	166	-76	176	-25.4	0	0	109.2
40	T	33.5	Very low	45.3	Very low	124 Å²	124	128.2 Å²	128.2	76%	0.761	72%	0.717	S	S	*	*			trans	-176.2	144.7	141.3	21.3	0	0	0	0	111.3
41	T	38.5	Very low	47.8	Very low	125 Å²	125	121.1 Å²	121.1	77%	0.767	68%	0.679	S	S	*	*			trans	88	79.4	167.3	79.9	0	0	0	0	119.5
42	T	37.1	Very low	50.1	Low	121 Å²	121	121 Å²	121	74%	0.742	67%	0.673	S	S	*	*				34.7	109.8	120.2	57.7	0	0	0	0	119.8
43	D	31.1	Very low	52.6	Low	149 Å²	149	120.6 Å²	120.6	80%	0.797	67%	0.67	S	S	*	*			trans	46.6	91.9	133	-51	-32.1	0	0	0	119.6
44	I	40.6	Very low	55	Low	141 Å²	141	114.5 Å²	114.5	72%	0.723	63%	0.632	S	S	*	*				-157.1	86.9	127.6	-75.5	128.5	0	0	0	105	N46	I44-N46 HydrophobicContact CG2-CB 4.21Å; I44-N46 VanDerWaalsContact CG2-CG 3.45Å; I44-N46 WeakPolarHBondContact CG2-OD1 3.41Å; I44-N46 PolarHBondContact O-N 2.86Å
45	D	40.9	Very low	57.7	Low	138 Å²	138	111.9 Å²	111.9	74%	0.738	62%	0.615	S	S	*	*			trans	-73.5	88.8	157.5	-172.2	9.7	0	0	0	105.8	T47	D45-T47 PolarHBondContact O-N 2.75Å
46	N	51.3	Low	60	Low	101 Å²	101	105.7 Å²	105.7	54%	0.54	58%	0.577	S	S	.	*			trans	-63.8	82.1	162	-85.9	-34.5	0	0	0	105.6	I44 L48 Q146	I44-N46 HydrophobicContact CG2-CB 4.21Å; I44-N46 VanDerWaalsContact CG2-CG 3.45Å; I44-N46 WeakPolarHBondContact CG2-OD1 3.41Å; I44-N46 PolarHBondContact O-N 2.86Å; N46-L48 PolarHBondContact O-N 3.22Å; N46-Q146 PolarHBondContact OD1-NE2 2.88Å; N46-Q146 VanDerWaalsContact OD1-NE2 3.1Å
47	T	59.4	Low	62.6	Low	76 Å²	76	101.6 Å²	101.6	47%	0.466	55%	0.552	S	S	.	*			trans	-42.9	106.6	-173.5	51.4	0	0	0	0	108.6	D45 I49	D45-T47 PolarHBondContact O-N 2.75Å; T47-I49 WeakPolarHBondContact O-CG1 3.49Å; T47-I49 PolarHBondContact O-N 3.16Å
48	L	68.7	Low	65.1	Low	151 Å²	151	103.1 Å²	103.1	79%	0.791	56%	0.56	S	S	*	*			trans	-62.9	102.9	-179.9	178.2	66.1	0	0	0	107	N46 D50	N46-L48 PolarHBondContact O-N 3.22Å; L48-D50 PolarHBondContact O-N 3.37Å; L48-D50 VanDerWaalsContact O-N 3.16Å
49	I	81.9	Confident	67.3	Low	16 Å²	16	98.8 Å²	98.8	8%	0.082	54%	0.538	C	S	.	.			trans	-72.9	110.6	176.9	-62.6	-166.5	0	0	0	107.5	T47 L51 I54 L139 L140 Q143	T47-I49 WeakPolarHBondContact O-CG1 3.49Å; T47-I49 PolarHBondContact O-N 3.16Å; I49-L51 PolarHBondContact O-N 2.89Å; I49-L51 VanDerWaalsContact O-N 3.16Å; I49-I54 HydrophobicContact CG2-CD1 3.17Å; I49-I54 HydrophobicContact CG2-CG1 4.4Å; I49-L139 HydrophobicContact CD1-CB 4.05Å; I49-L139 WeakPolarHBondContact CD1-O 3.48Å; I49-L140 HydrophobicContact CD1-CB 4.46Å; I49-L140 HydrophobicContact CG2-CD1 4.43Å; I49-Q143 HydrophobicContact CD1-CB 3.62Å; I49-Q143 HydrophobicContact CD1-CG 4.04Å
50	D	86.3	Confident	69.9	Low	77 Å²	77	97.4 Å²	97.4	41%	0.412	53%	0.529	S	S	.	.			trans	-77.3	99.3	169.6	-177.5	6.4	0	0	0	109.4	L48 N52 T53	L48-D50 PolarHBondContact O-N 3.37Å; L48-D50 VanDerWaalsContact O-N 3.16Å; D50-N52 PolarHBondContact O-N 2.86Å; D50-N52 VanDerWaalsContact O-N 3.08Å; D50-N52 VanDerWaalsContact OD1-CB 3.28Å; D50-N52 WeakPolarHBondContact OD1-CB 3.33Å; D50-N52 PolarHBondContact OD1-N 3.33Å; D50-N52 PolarHBondContact OD1-ND2 3.49Å; D50-T53 HydrophobicContact CB-CG2 4.07Å; D50-T53 PolarHBondContact O-N 3.31Å; D50-T53 PolarHBondContact O-OG1 3.45Å; D50-T53 WeakPolarHBondContact OD2-CG2 3.46Å
51	L	88	Confident	72.7	Confident	10 Å²	10	97.8 Å²	97.8	5%	0.052	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-57.5	-22.6	177.6	-82.8	85.1	0	0	0	113.4	I49 T53 I54 K67 L71 N77 L78	I49-L51 PolarHBondContact O-N 2.89Å; I49-L51 VanDerWaalsContact O-N 3.16Å; L51-T53 PolarHBondContact O-N 3.41Å; L51-I54 PolarHBondContact O-N 2.84Å; L51-K67 WeakPolarHBondContact O-CE 3.33Å; L51-K67 PolarHBondContact O-NZ 3.01Å; L51-L71 HydrophobicContact CD2-CD2 3.61Å; L51-N77 HydrophobicContact CD1-CB 4.41Å; L51-N77 WeakPolarHBondContact CD1-OD1 3.07Å; L51-L78 HydrophobicContact CD2-CD1 4.24Å; L51-L78 HydrophobicContact CD2-CD2 3.86Å; L51-L78 HydrophobicContact CD2-CG 3.53Å
52	N	84.9	Confident	75.3	Confident	136 Å²	136	96.1 Å²	96.1	73%	0.727	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-67.3	-23.9	177.4	-59.5	-57.4	0	0	0	112	D50	D50-N52 PolarHBondContact O-N 2.86Å; D50-N52 VanDerWaalsContact O-N 3.08Å; D50-N52 VanDerWaalsContact OD1-CB 3.28Å; D50-N52 WeakPolarHBondContact OD1-CB 3.33Å; D50-N52 PolarHBondContact OD1-N 3.33Å; D50-N52 PolarHBondContact OD1-ND2 3.49Å
53	T	86.9	Confident	77.9	Confident	109 Å²	109	90.9 Å²	90.9	67%	0.669	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-87.2	-11.7	178	68.8	0	0	0	0	113.7	D50 L51	D50-T53 HydrophobicContact CB-CG2 4.07Å; D50-T53 PolarHBondContact O-N 3.31Å; D50-T53 PolarHBondContact O-OG1 3.45Å; D50-T53 WeakPolarHBondContact OD2-CG2 3.46Å; L51-T53 PolarHBondContact O-N 3.41Å
54	I	90.1	Very high	80.8	Confident	15 Å²	15	89.3 Å²	89.3	8%	0.077	47%	0.467	C	S	.	.			trans	-105.7	124.7	-174.7	-61.7	178.2	0	0	0	110.6	I49 L51 L56 K67 N137 L140	I49-I54 HydrophobicContact CG2-CD1 3.17Å; I49-I54 HydrophobicContact CG2-CG1 4.4Å; L51-I54 PolarHBondContact O-N 2.84Å; I54-L56 HydrophobicContact CG2-CD2 4.37Å; I54-K67 WeakPolarHBondContact O-CE 3.41Å; I54-K67 PolarHBondContact O-NZ 3.4Å; I54-N137 VanDerWaalsContact CD1-ND2 3.32Å; I54-N137 WeakPolarHBondContact CD1-ND2 3.46Å; I54-N137 WeakPolarHBondContact CG1-ND2 3.37Å; I54-N137 HydrophobicContact CG2-CB 4.2Å; I54-L140 HydrophobicContact CD1-CB 4.38Å; I54-L140 HydrophobicContact CG2-CD2 4.19Å
55	Q	90.3	Very high	83.4	Confident	95 Å²	95	86.9 Å²	86.9	44%	0.444	46%	0.455	S	S	.	.			trans	-85.6	117.7	170.5	-165.4	80.6	30.1	0	0	110.1	T57 D63	Q55-T57 WeakPolarHBondContact CG-O 3.5Å; Q55-T57 PolarHBondContact NE2-O 3.3Å; Q55-D63 VanDerWaalsContact NE2-CB 3.34Å
56	L	92	Very high	85.9	Confident	16 Å²	16	81.3 Å²	81.3	8%	0.084	43%	0.425	C	S	.	.	S	Bend	trans	-83.1	-32.7	176	-57.8	175.1	0	0	0	112.4	I54 D63 I66 K67 L78 L131 L140	I54-L56 HydrophobicContact CG2-CD2 4.37Å; L56-D63 WeakPolarHBondContact CA-OD1 3.38Å; L56-D63 VanDerWaalsContact CB-OD1 3.3Å; L56-D63 WeakPolarHBondContact CB-OD1 3.32Å; L56-D63 PolarHBondContact N-OD1 3.16Å; L56-I66 HydrophobicContact CD1-CG2 3.76Å; L56-K67 HydrophobicContact CD1-CG 3.83Å; L56-L78 HydrophobicContact CD1-CD1 4.04Å; L56-L78 HydrophobicContact CD1-CD2 4.45Å; L56-L78 HydrophobicContact CD2-CD1 4.17Å; L56-L131 HydrophobicContact CB-CD2 4.21Å; L56-L131 HydrophobicContact CB-CG 4.47Å; L56-L131 HydrophobicContact CD1-CD2 4.26Å; L56-L140 HydrophobicContact CD2-CD2 3.48Å; L56-L140 VanDerWaalsContact CD2-CD2 3.48Å
57	T	91.4	Very high	87.9	Confident	30 Å²	30	77.4 Å²	77.4	18%	0.184	40%	0.403	C	S	.	.	S	Bend	trans	-137.7	154.6	178.3	74.9	0	0	0	0	111.5	Q55 N59 D63 I66 L131	Q55-T57 WeakPolarHBondContact CG-O 3.5Å; Q55-T57 PolarHBondContact NE2-O 3.3Å; T57-N59 PolarHBondContact O-N 3.08Å; T57-N59 VanDerWaalsContact O-N 3.1Å; T57-N59 PolarHBondContact OG1-N 2.69Å; T57-N59 PolarHBondContact OG1-O 2.98Å; T57-D63 PolarHBondContact OG1-N 3.47Å; T57-I66 HydrophobicContact CG2-CD1 3.72Å; T57-L131 HydrophobicContact CG2-CD1 3.53Å
58	N	90.1	Very high	89.4	Confident	175 Å²	175	80.1 Å²	80.1	94%	0.936	41%	0.41	S	S	*	.	S	Bend	trans	-64.9	-15.4	177.3	-63.9	-18.6	0	0	0	113.8
59	N	92.7	Very high	90.7	Very high	75 Å²	75	76.4 Å²	76.4	40%	0.401	39%	0.394	S	S	.	.			trans	-96.9	113.2	178.1	-177.6	-42.5	0	0	0	110.1	T57 L61 L62 D63	T57-N59 PolarHBondContact O-N 3.08Å; T57-N59 VanDerWaalsContact O-N 3.1Å; T57-N59 PolarHBondContact OG1-N 2.69Å; T57-N59 PolarHBondContact OG1-O 2.98Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 2.96Å; N59-L61 WeakPolarHBondContact OD1-CB 3.48Å; N59-L61 PolarHBondContact OD1-N 3.26Å; N59-L62 HydrophobicContact CB-CB 4.03Å; N59-L62 HydrophobicContact CB-CD1 3.93Å; N59-L62 HydrophobicContact CB-CG 3.99Å; N59-L62 PolarHBondContact O-N 3.07Å; N59-L62 PolarHBondContact OD1-N 2.94Å; N59-L62 VanDerWaalsContact OD1-N 3.12Å; N59-D63 WeakPolarHBondContact O-CB 3.44Å; N59-D63 PolarHBondContact O-N 3.12Å
60	K	91.8	Very high	91.4	Very high	165 Å²	165	77.4 Å²	77.4	72%	0.717	40%	0.398	S	S	*	.	H	α-helix	trans	-58.7	-36.6	-177.7	-65.1	-176.3	178.9	-178	0	114.1	H64	K60-H64 PolarHBondContact O-N 3.17Å
61	L	92.6	Very high	91.8	Very high	133 Å²	133	76.6 Å²	76.6	70%	0.696	39%	0.393	S	S	*	.	H	α-helix	trans	-69.3	-44.9	178.6	-63.9	178.2	0	0	0	110.6	N59 H64 L65	N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 2.96Å; N59-L61 WeakPolarHBondContact OD1-CB 3.48Å; N59-L61 PolarHBondContact OD1-N 3.26Å; L61-H64 PolarHBondContact O-N 3.34Å; L61-L65 WeakPolarHBondContact O-CB 3.28Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.04Å; L61-L65 PolarHBondContact O-N 3.12Å
62	L	93.3	Very high	92.2	Very high	90 Å²	90	76.1 Å²	76.1	47%	0.471	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-40.7	176.6	-63.8	-177.8	0	0	0	111.6	N59 H64 L65 I66	N59-L62 HydrophobicContact CB-CB 4.03Å; N59-L62 HydrophobicContact CB-CD1 3.93Å; N59-L62 HydrophobicContact CB-CG 3.99Å; N59-L62 PolarHBondContact O-N 3.07Å; N59-L62 PolarHBondContact OD1-N 2.94Å; N59-L62 VanDerWaalsContact OD1-N 3.12Å; L62-H64 PolarHBondContact O-N 3.32Å; L62-L65 PolarHBondContact O-N 3.21Å; L62-I66 WeakPolarHBondContact O-CB 3.45Å; L62-I66 WeakPolarHBondContact O-CD1 3.35Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-I66 PolarHBondContact O-N 3.24Å
63	D	92.7	Very high	92.7	Very high	10 Å²	10	71.8 Å²	71.8	5%	0.053	37%	0.371	C	S	.	.	H	α-helix	trans	-56.3	-49.9	174.5	-178.1	76.3	0	0	0	112.2	Q55 L56 T57 N59 I66 K67	Q55-D63 VanDerWaalsContact NE2-CB 3.34Å; L56-D63 WeakPolarHBondContact CA-OD1 3.38Å; L56-D63 VanDerWaalsContact CB-OD1 3.3Å; L56-D63 WeakPolarHBondContact CB-OD1 3.32Å; L56-D63 PolarHBondContact N-OD1 3.16Å; T57-D63 PolarHBondContact OG1-N 3.47Å; N59-D63 WeakPolarHBondContact O-CB 3.44Å; N59-D63 PolarHBondContact O-N 3.12Å; D63-I66 PolarHBondContact O-N 3.41Å; D63-K67 WeakPolarHBondContact O-CG 3.08Å; D63-K67 PolarHBondContact O-N 3.39Å; D63-K67 IonicContact OD1-NZ 2.72Å; D63-K67 VanDerWaalsContact OD2-CE 3.26Å; D63-K67 WeakPolarHBondContact OD2-CE 3.27Å; D63-K67 IonicContact OD2-NZ 3.64Å; D63-K67 PolarHBondContact OD2-NZ 2.93Å
64	H	92	Very high	93.1	Very high	116 Å²	116	69 Å²	69	54%	0.537	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-47.5	176.6	177.9	-80.1	0	0	0	111.8	K60 L61 L62 I66 K67 Q68	K60-H64 PolarHBondContact O-N 3.17Å; L61-H64 PolarHBondContact O-N 3.34Å; L62-H64 PolarHBondContact O-N 3.32Å; H64-I66 PolarHBondContact O-N 3.44Å; H64-K67 PolarHBondContact O-N 2.93Å; H64-Q68 PolarHBondContact CE1-OE1 2.87Å; H64-Q68 VanDerWaalsContact CE1-OE1 3.29Å; H64-Q68 WeakPolarHBondContact O-CB 3.35Å; H64-Q68 PolarHBondContact O-N 3.3Å
65	L	94	Very high	93.3	Very high	90 Å²	90	69.9 Å²	69.9	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-46.8	179.2	-73.5	171.2	0	0	0	111.5	L61 L62 K67 Q68 T69	L61-L65 WeakPolarHBondContact O-CB 3.28Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.04Å; L61-L65 PolarHBondContact O-N 3.12Å; L62-L65 PolarHBondContact O-N 3.21Å; L65-K67 PolarHBondContact O-N 3.49Å; L65-Q68 PolarHBondContact O-N 3.1Å; L65-T69 WeakPolarHBondContact O-CB 3.44Å; L65-T69 PolarHBondContact O-N 3.3Å; L65-T69 PolarHBondContact O-OG1 3.09Å
66	I	94.4	Very high	93.5	Very high	21 Å²	21	72 Å²	72	11%	0.108	37%	0.368	C	S	.	.	H	α-helix	trans	-59.2	-48.3	178.4	-72.8	164.8	0	0	0	110.6	L56 T57 L62 D63 H64 T69 F70 F127 L131	L56-I66 HydrophobicContact CD1-CG2 3.76Å; T57-I66 HydrophobicContact CG2-CD1 3.72Å; L62-I66 WeakPolarHBondContact O-CB 3.45Å; L62-I66 WeakPolarHBondContact O-CD1 3.35Å; L62-I66 WeakPolarHBondContact O-CG1 3.44Å; L62-I66 PolarHBondContact O-N 3.24Å; D63-I66 PolarHBondContact O-N 3.41Å; H64-I66 PolarHBondContact O-N 3.44Å; I66-T69 PolarHBondContact O-N 2.78Å; I66-F70 HydrophobicContact CB-CD2 4.48Å; I66-F70 HydrophobicContact CG2-CD2 4.01Å; I66-F70 WeakPolarHBondContact O-CB 3.12Å; I66-F70 WeakPolarHBondContact O-CD2 3.37Å; I66-F70 PolarHBondContact O-N 3.21Å; I66-F127 HydrophobicContact CD1-CZ 4.32Å; I66-F127 HydrophobicContact CG1-CZ 4.42Å; I66-L131 HydrophobicContact CD1-CD2 4Å; I66-L131 HydrophobicContact CG2-CD2 3.6Å
67	K	93	Very high	93.6	Very high	19 Å²	19	72 Å²	72	8%	0.083	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-48.9	177.5	-71.7	170	-179.2	168.3	0	110.6	L51 I54 L56 D63 H64 L65 T69 L71	L51-K67 WeakPolarHBondContact O-CE 3.33Å; L51-K67 PolarHBondContact O-NZ 3.01Å; I54-K67 WeakPolarHBondContact O-CE 3.41Å; I54-K67 PolarHBondContact O-NZ 3.4Å; L56-K67 HydrophobicContact CD1-CG 3.83Å; D63-K67 WeakPolarHBondContact O-CG 3.08Å; D63-K67 PolarHBondContact O-N 3.39Å; D63-K67 IonicContact OD1-NZ 2.72Å; D63-K67 VanDerWaalsContact OD2-CE 3.26Å; D63-K67 WeakPolarHBondContact OD2-CE 3.27Å; D63-K67 IonicContact OD2-NZ 3.64Å; D63-K67 PolarHBondContact OD2-NZ 2.93Å; H64-K67 PolarHBondContact O-N 2.93Å; L65-K67 PolarHBondContact O-N 3.49Å; K67-T69 VanDerWaalsContact C-N 3.3Å; K67-T69 PolarHBondContact O-N 3.23Å; K67-L71 HydrophobicContact CB-CD1 4.39Å; K67-L71 VanDerWaalsContact O-CB 3.28Å; K67-L71 WeakPolarHBondContact O-CB 3.44Å; K67-L71 VanDerWaalsContact O-CD1 3.23Å; K67-L71 WeakPolarHBondContact O-CD1 3.45Å; K67-L71 WeakPolarHBondContact O-CG 3.22Å; K67-L71 PolarHBondContact O-N 2.95Å
68	Q	91.4	Very high	93.8	Very high	133 Å²	133	71 Å²	71	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-60.4	-40.3	179.5	-172.8	179.2	3.2	0	0	112.4	H64 L65	H64-Q68 PolarHBondContact CE1-OE1 2.87Å; H64-Q68 VanDerWaalsContact CE1-OE1 3.29Å; H64-Q68 WeakPolarHBondContact O-CB 3.35Å; H64-Q68 PolarHBondContact O-N 3.3Å; L65-Q68 PolarHBondContact O-N 3.1Å
69	T	94.7	Very high	94.1	Very high	74 Å²	74	62.6 Å²	62.6	45%	0.454	32%	0.317	S	S	.	.	H	α-helix	trans	-74.9	-43.1	-177.5	-59.9	0	0	0	0	112.2	L65 I66 K67 Q90	L65-T69 WeakPolarHBondContact O-CB 3.44Å; L65-T69 PolarHBondContact O-N 3.3Å; L65-T69 PolarHBondContact O-OG1 3.09Å; I66-T69 PolarHBondContact O-N 2.78Å; K67-T69 VanDerWaalsContact C-N 3.3Å; K67-T69 PolarHBondContact O-N 3.23Å; T69-Q90 PolarHBondContact O-NE2 3.48Å
70	F	96.7	Very high	94.3	Very high	37 Å²	37	59.3 Å²	59.3	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-108.9	19.6	-167.1	-59.8	-65.5	0	0	0	114.9	I66 L78 L79 I124 F127 L128	I66-F70 HydrophobicContact CB-CD2 4.48Å; I66-F70 HydrophobicContact CG2-CD2 4.01Å; I66-F70 WeakPolarHBondContact O-CB 3.12Å; I66-F70 WeakPolarHBondContact O-CD2 3.37Å; I66-F70 PolarHBondContact O-N 3.21Å; F70-L78 HydrophobicContact CB-CD2 4.34Å; F70-L78 WeakPolarHBondContact O-CA 3.21Å; F70-L79 HydrophobicContact CB-CD1 4.33Å; F70-L79 HydrophobicContact CD1-CD1 4.46Å; F70-L79 WeakPolarHBondContact O-CD1 3.47Å; F70-L79 VanDerWaalsContact O-CG 3.24Å; F70-L79 WeakPolarHBondContact O-CG 3.02Å; F70-L79 PolarHBondContact O-N 2.67Å; F70-I124 HydrophobicContact CD1-CG2 3.59Å; F70-I124 HydrophobicContact CE1-CD1 4.3Å; F70-I124 HydrophobicContact CE1-CG1 4.2Å; F70-I124 HydrophobicContact CE1-CG2 3.84Å; F70-F127 HydrophobicContact CD2-CD1 4.39Å; F70-F127 AromaticContact CD2-CE1 3.97Å; F70-F127 HydrophobicContact CD2-CE1 3.97Å; F70-F127 AromaticContact CE2-CD1 3.86Å; F70-F127 HydrophobicContact CE2-CD1 3.86Å; F70-F127 AromaticContact CE2-CE1 3.43Å; F70-F127 HydrophobicContact CE2-CE1 3.43Å; F70-F127 VanDerWaalsContact CE2-CE1 3.43Å; F70-F127 HydrophobicContact CE2-CZ 4.41Å; F70-F127 HydrophobicContact CZ-CD1 4.04Å; F70-F127 HydrophobicContact CZ-CE1 4.03Å; F70-L128 HydrophobicContact CB-CD1 4.12Å; F70-L128 HydrophobicContact CB-CD2 3.88Å; F70-L128 HydrophobicContact CB-CG 4.45Å; F70-L128 HydrophobicContact CD2-CD2 4.18Å; F70-L128 HydrophobicContact CG-CD2 4.09Å
71	L	95.3	Very high	94.5	Very high	59 Å²	59	52.8 Å²	52.8	31%	0.309	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-84.5	137.8	170.4	-83.3	172.9	0	0	0	111.4	L51 K67 H76 N77 L78	L51-L71 HydrophobicContact CD2-CD2 3.61Å; K67-L71 HydrophobicContact CB-CD1 4.39Å; K67-L71 VanDerWaalsContact O-CB 3.28Å; K67-L71 WeakPolarHBondContact O-CB 3.44Å; K67-L71 VanDerWaalsContact O-CD1 3.23Å; K67-L71 WeakPolarHBondContact O-CD1 3.45Å; K67-L71 WeakPolarHBondContact O-CG 3.22Å; K67-L71 PolarHBondContact O-N 2.95Å; L71-H76 WeakPolarHBondContact CD2-O 3.12Å; L71-N77 WeakPolarHBondContact CD2-O 3.26Å; L71-L78 HydrophobicContact CD2-CD2 4.43Å
72	C	97	Very high	94.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	24%	0.239	C	C	.	.			trans	-79.5	125.6	168.7	-176.1	0	0	0	0	109.9	I74 H76 N77 L79 C92	C72-I74 PolarHBondContact O-N 2.84Å; C72-H76 VanDerWaalsContact O-CA 3.22Å; C72-H76 WeakPolarHBondContact O-CA 3.19Å; C72-H76 PolarHBondContact O-N 2.81Å; C72-N77 PolarHBondContact N-O 3.45Å; C72-L79 HydrophobicContact CB-CD2 3.71Å; C72-L79 HydrophobicContact CB-CG 4.42Å; C72-C92 WeakPolarHBondContact CB-SG 3.31Å; C72-C92 PolarHBondContact SG-N 2.98Å
73	S	95.1	Very high	94.7	Very high	44 Å²	44	42.8 Å²	42.8	31%	0.308	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.3	-179.2	60.3	0	0	0	0	115.1	H76 F91 L108	S73-H76 PolarHBondContact O-CE1 3.06Å; S73-F91 WeakPolarHBondContact OG-CE1 3.1Å; S73-L108 WeakPolarHBondContact OG-CD2 3.3Å
74	I	95.3	Very high	94.8	Very high	50 Å²	50	45 Å²	45	26%	0.256	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-51.3	176.2	-62.2	169.9	0	0	0	110.7	C72 F91 C95 W99 P107	C72-I74 PolarHBondContact O-N 2.84Å; I74-F91 HydrophobicContact CD1-CD1 3.63Å; I74-F91 HydrophobicContact CD1-CE1 4.18Å; I74-F91 HydrophobicContact CD1-CG 4.37Å; I74-F91 HydrophobicContact CG1-CD1 3.88Å; I74-F91 HydrophobicContact CG1-CE1 4.17Å; I74-C95 HydrophobicContact CB-CB 3.89Å; I74-C95 HydrophobicContact CD1-CB 3.76Å; I74-C95 HydrophobicContact CG1-CB 4.42Å; I74-C95 HydrophobicContact CG2-CB 3.88Å; I74-W99 HydrophobicContact CD1-CB 4.28Å; I74-P107 HydrophobicContact CD1-CG 3.97Å; I74-P107 HydrophobicContact CG1-CB 4.44Å; I74-P107 HydrophobicContact CG1-CG 4.41Å
75	C	94.4	Very high	94.8	Very high	35 Å²	35	39.8 Å²	39.8	24%	0.236	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2.1	-175.4	70.5	0	0	0	0	113.9	N77 R147	C75-N77 PolarHBondContact O-N 2.7Å; C75-N77 PolarHBondContact O-ND2 2.72Å; C75-R147 PolarHBondContact SG-NH2 2.88Å
76	H	93.3	Very high	94.7	Very high	138 Å²	138	41.5 Å²	41.5	64%	0.639	22%	0.216	S	C	*	.	S	Bend	trans	53.4	28.3	-178.9	-55.1	-74.9	0	0	0	115.1	L71 C72 S73	L71-H76 WeakPolarHBondContact CD2-O 3.12Å; C72-H76 VanDerWaalsContact O-CA 3.22Å; C72-H76 WeakPolarHBondContact O-CA 3.19Å; C72-H76 PolarHBondContact O-N 2.81Å; S73-H76 PolarHBondContact O-CE1 3.06Å
77	N	94.2	Very high	94.6	Very high	17 Å²	17	42.2 Å²	42.2	9%	0.091	22%	0.222	C	C	.	.	S	Bend	trans	-121.7	166.1	176.9	-77.4	-86.5	0	0	0	110.2	L51 L71 C72 C75 L79 Q143	L51-N77 HydrophobicContact CD1-CB 4.41Å; L51-N77 WeakPolarHBondContact CD1-OD1 3.07Å; L71-N77 WeakPolarHBondContact CD2-O 3.26Å; C72-N77 PolarHBondContact N-O 3.45Å; C75-N77 PolarHBondContact O-N 2.7Å; C75-N77 PolarHBondContact O-ND2 2.72Å; N77-L79 PolarHBondContact O-N 2.9Å; N77-Q143 PolarHBondContact OD1-NE2 2.72Å
78	L	96	Very high	94.6	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.042	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-56.2	142.5	176.3	-68.2	175.7	0	0	0	110.4	L51 L56 F70 L71 L128 I132 R147	L51-L78 HydrophobicContact CD2-CD1 4.24Å; L51-L78 HydrophobicContact CD2-CD2 3.86Å; L51-L78 HydrophobicContact CD2-CG 3.53Å; L56-L78 HydrophobicContact CD1-CD1 4.04Å; L56-L78 HydrophobicContact CD1-CD2 4.45Å; L56-L78 HydrophobicContact CD2-CD1 4.17Å; F70-L78 HydrophobicContact CB-CD2 4.34Å; F70-L78 WeakPolarHBondContact O-CA 3.21Å; L71-L78 HydrophobicContact CD2-CD2 4.43Å; L78-L128 HydrophobicContact CD1-CD2 4.48Å; L78-L128 HydrophobicContact CD2-CD2 4.39Å; L78-I132 HydrophobicContact CD1-CD1 3.64Å; L78-I132 HydrophobicContact CD1-CG1 4.27Å; L78-R147 PolarHBondContact O-NH1 3.12Å
79	L	97.4	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.			trans	-60.6	141.9	-179.3	-68	157.2	0	0	0	111.2	F70 C72 N77 T82 Q90 F91 I124 L128 R144	F70-L79 HydrophobicContact CB-CD1 4.33Å; F70-L79 HydrophobicContact CD1-CD1 4.46Å; F70-L79 WeakPolarHBondContact O-CD1 3.47Å; F70-L79 VanDerWaalsContact O-CG 3.24Å; F70-L79 WeakPolarHBondContact O-CG 3.02Å; F70-L79 PolarHBondContact O-N 2.67Å; C72-L79 HydrophobicContact CB-CD2 3.71Å; C72-L79 HydrophobicContact CB-CG 4.42Å; N77-L79 PolarHBondContact O-N 2.9Å; L79-T82 HydrophobicContact CB-CG2 4.19Å; L79-T82 WeakPolarHBondContact CB-OG1 3.23Å; L79-T82 HydrophobicContact CD1-CG2 4.06Å; L79-T82 HydrophobicContact CD2-CG2 4.27Å; L79-T82 HydrophobicContact CG-CG2 4.41Å; L79-Q90 HydrophobicContact CD1-CB 4.2Å; L79-Q90 HydrophobicContact CD1-CG 3.58Å; L79-Q90 HydrophobicContact CD2-CG 4.41Å; L79-F91 VanDerWaalsContact CD2-C 3.42Å; L79-I124 HydrophobicContact CD1-CG2 4.45Å; L79-L128 HydrophobicContact CB-CD1 4.14Å; L79-L128 VanDerWaalsContact O-CD1 3.31Å; L79-L128 WeakPolarHBondContact O-CD1 3.33Å; L79-R144 PolarHBondContact O-NH1 2.89Å
80	V	96.3	Very high	94.9	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.03	21%	0.214	C	C	.	.	S	Bend	trans	-145	133.9	-179.8	64.9	0	0	0	0	109.7	T82 C92 R93 R147 K148	V80-T82 VanDerWaalsContact C-N 3.3Å; V80-T82 PolarHBondContact O-N 2.76Å; V80-C92 HydrophobicContact CG1-CB 3.96Å; V80-C92 VanDerWaalsContact O-CA 3.31Å; V80-C92 WeakPolarHBondContact O-CA 3.49Å; V80-C92 WeakPolarHBondContact O-CB 3.36Å; V80-R93 PolarHBondContact O-N 3Å; V80-R147 HydrophobicContact CG1-CB 3.84Å; V80-R147 HydrophobicContact CG2-CB 4.27Å; V80-K148 HydrophobicContact CG2-CB 4.09Å; V80-K148 HydrophobicContact CG2-CD 4.36Å; V80-K148 HydrophobicContact CG2-CG 3.19Å
81	N	95.4	Very high	94.9	Very high	28 Å²	28	36.7 Å²	36.7	15%	0.15	21%	0.206	C	C	.	.	S	Bend	trans	48.5	59	-169.6	-62.9	-37.9	0	0	0	108.8	R83 R93 D125 K148	N81-R83 PolarHBondContact O-N 2.92Å; N81-R83 PolarHBondContact O-NH1 3.44Å; N81-R83 VanDerWaalsContact O-NH1 3.1Å; N81-R93 HydrophobicContact CB-CB 3.83Å; N81-R93 PolarHBondContact ND2-NH2 3.33Å; N81-R93 VanDerWaalsContact O-CB 3.25Å; N81-R93 WeakPolarHBondContact O-CB 3.41Å; N81-R93 PolarHBondContact O-N 3.47Å; N81-D125 WeakPolarHBondContact CA-OD2 3.26Å; N81-D125 PolarHBondContact N-OD1 3.34Å; N81-K148 PolarHBondContact ND2-O 3.36Å
82	T	96.1	Very high	95	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133.2	-162.9	-55.5	0	0	0	0	111.1	L79 V80 Q90 A121 I124 D125	L79-T82 HydrophobicContact CB-CG2 4.19Å; L79-T82 WeakPolarHBondContact CB-OG1 3.23Å; L79-T82 HydrophobicContact CD1-CG2 4.06Å; L79-T82 HydrophobicContact CD2-CG2 4.27Å; L79-T82 HydrophobicContact CG-CG2 4.41Å; V80-T82 VanDerWaalsContact C-N 3.3Å; V80-T82 PolarHBondContact O-N 2.76Å; T82-Q90 HydrophobicContact CG2-CB 4.1Å; T82-A121 HydrophobicContact CG2-CB 3.91Å; T82-A121 PolarHBondContact O-N 3.45Å; T82-I124 HydrophobicContact CG2-CB 4.43Å; T82-I124 HydrophobicContact CG2-CD1 4.21Å; T82-I124 HydrophobicContact CG2-CG2 4.26Å; T82-D125 PolarHBondContact N-OD1 2.83Å; T82-D125 VanDerWaalsContact N-OD1 3.1Å; T82-D125 PolarHBondContact N-OD2 2.96Å; T82-D125 PolarHBondContact OG1-OD1 3.24Å
83	R	94.4	Very high	94.9	Very high	14 Å²	14	34.8 Å²	34.8	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.7	175.7	-65.8	-66.5	168.9	-87.3	9.7	109.6	N81 Q90 F91 R93 L96 I118 I119 S120 D157	N81-R83 PolarHBondContact O-N 2.92Å; N81-R83 PolarHBondContact O-NH1 3.44Å; N81-R83 VanDerWaalsContact O-NH1 3.1Å; R83-Q90 VanDerWaalsContact O-CA 3.32Å; R83-Q90 WeakPolarHBondContact O-CA 3.44Å; R83-F91 PolarHBondContact N-O 3.29Å; R83-F91 PolarHBondContact O-N 3.22Å; R83-R93 HydrophobicContact CG-CB 4.03Å; R83-R93 HydrophobicContact CG-CG 4.13Å; R83-L96 HydrophobicContact CB-CD2 3.78Å; R83-L96 HydrophobicContact CG-CD2 4.43Å; R83-I118 HydrophobicContact CB-CG2 3.76Å; R83-I118 HydrophobicContact CG-CG2 4.11Å; R83-I119 WeakPolarHBondContact CA-O 3.28Å; R83-S120 PolarHBondContact NE-OG 3.29Å; R83-S120 PolarHBondContact NH1-OG 2.88Å; R83-S120 PolarHBondContact NH2-OG 3.33Å; R83-D157 IonicContact CZ-OD1 3.49Å; R83-D157 IonicContact NE-OD1 3.52Å; R83-D157 IonicContact NH2-OD1 2.65Å; R83-D157 PolarHBondContact NH2-OD1 3.28Å; R83-D157 IonicContact NH2-OD2 2.7Å
84	L	94.3	Very high	94.9	Very high	56 Å²	56	33 Å²	33	29%	0.293	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.2	176.7	-177.2	67.4	0	0	0	109.3	G88 Q90 I119 A121	L84-G88 WeakPolarHBondContact CD1-O 3.42Å; L84-Q90 HydrophobicContact CD1-CB 4.4Å; L84-I119 HydrophobicContact CB-CB 4.42Å; L84-I119 PolarHBondContact N-O 2.88Å; L84-I119 PolarHBondContact O-N 3.47Å; L84-A121 HydrophobicContact CB-CB 4.48Å
85	L	93	Very high	94.9	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	17%	0.174	C	C	.	.			trans	-89.2	156.3	173.3	-57	-179.9	0	0	0	110.3	C87 G88 H89 F91 L96 C106 I113 I118	L85-C87 PolarHBondContact O-N 3.44Å; L85-G88 WeakPolarHBondContact O-CA 3.17Å; L85-G88 PolarHBondContact O-N 3.03Å; L85-H89 PolarHBondContact N-O 3.46Å; L85-F91 HydrophobicContact CD1-CD2 4.06Å; L85-F91 HydrophobicContact CD1-CE2 3.63Å; L85-F91 HydrophobicContact CG-CD2 4.32Å; L85-F91 HydrophobicContact CG-CE2 4.29Å; L85-L96 HydrophobicContact CD2-CD1 4.43Å; L85-L96 HydrophobicContact CD2-CD2 3.87Å; L85-C106 HydrophobicContact CD1-CB 3.98Å; L85-I113 HydrophobicContact CD1-CD1 3.45Å; L85-I113 VanDerWaalsContact CD1-CD1 3.45Å; L85-I113 HydrophobicContact CD1-CG1 3.99Å; L85-I113 HydrophobicContact CD2-CD1 3.91Å; L85-I113 HydrophobicContact CD2-CG1 4.26Å; L85-I113 HydrophobicContact CD2-CG2 4.04Å; L85-I113 HydrophobicContact CG-CD1 4.31Å; L85-I118 HydrophobicContact CD2-CD1 4.37Å; L85-I118 HydrophobicContact CD2-CG1 4Å; L85-I118 HydrophobicContact CD2-CG2 4.44Å
86	L	91	Very high	94.9	Very high	126 Å²	126	29.7 Å²	29.7	66%	0.66	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.4	174.1	-72	-175	0	0	0	114.7	G88 Y117	L86-G88 PolarHBondContact O-N 2.98Å; L86-Y117 VanDerWaalsContact CD1-CB 3.42Å; L86-Y117 HydrophobicContact CD1-CD2 3.58Å; L86-Y117 HydrophobicContact CD1-CG 3.66Å; L86-Y117 VanDerWaalsContact CG-CB 3.45Å; L86-Y117 HydrophobicContact CG-CG 4.23Å
87	C	93	Very high	94.8	Very high	36 Å²	36	25.1 Å²	25.1	24%	0.243	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-4.9	174.8	66.5	0	0	0	0	114.2	L85 H89 K111	L85-C87 PolarHBondContact O-N 3.44Å; C87-H89 PolarHBondContact SG-ND1 3.06Å; C87-H89 VanDerWaalsContact SG-ND1 3.41Å; C87-K111 HydrophobicContact CB-CB 4.44Å; C87-K111 HydrophobicContact CB-CD 3.86Å
88	G	93	Very high	94.8	Very high	51 Å²	51	30.2 Å²	30.2	53%	0.526	16%	0.159	S	C	.	.	S	Bend	trans	91.9	-7.6	-179.2	0	0	0	0	0	115	L84 L85 L86	L84-G88 WeakPolarHBondContact CD1-O 3.42Å; L85-G88 WeakPolarHBondContact O-CA 3.17Å; L85-G88 PolarHBondContact O-N 3.03Å; L86-G88 PolarHBondContact O-N 2.98Å
89	H	96.2	Very high	94.7	Very high	62 Å²	62	33.2 Å²	33.2	29%	0.287	17%	0.17	S	C	.	.			trans	-82.9	146.1	179.7	-65.3	118	0	0	0	112.7	L85 C87 F91 C106 L108 C109	L85-H89 PolarHBondContact N-O 3.46Å; C87-H89 PolarHBondContact SG-ND1 3.06Å; C87-H89 VanDerWaalsContact SG-ND1 3.41Å; H89-F91 HydrophobicContact CB-CE2 3.66Å; H89-F91 HydrophobicContact CB-CZ 4.03Å; H89-C106 PolarHBondContact ND1-SG 2.97Å; H89-C106 VanDerWaalsContact ND1-SG 3.43Å; H89-L108 HydrophobicContact CB-CD1 4.01Å; H89-L108 WeakPolarHBondContact CD2-CD1 3.24Å; H89-C109 PolarHBondContact ND1-SG 3.24Å
90	Q	96.2	Very high	94.4	Very high	35 Å²	35	34.3 Å²	34.3	16%	0.164	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.6	-173.3	58.2	-175.1	14	0	0	112.7	T69 L79 T82 R83 L84	T69-Q90 PolarHBondContact O-NE2 3.48Å; L79-Q90 HydrophobicContact CD1-CB 4.2Å; L79-Q90 HydrophobicContact CD1-CG 3.58Å; L79-Q90 HydrophobicContact CD2-CG 4.41Å; T82-Q90 HydrophobicContact CG2-CB 4.1Å; R83-Q90 VanDerWaalsContact O-CA 3.32Å; R83-Q90 WeakPolarHBondContact O-CA 3.44Å; L84-Q90 HydrophobicContact CD1-CB 4.4Å
91	F	96.9	Very high	94.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162	-177.2	-56.9	-88.2	0	0	0	110.9	S73 I74 L79 R83 L85 H89 L96 P107 L108	S73-F91 WeakPolarHBondContact OG-CE1 3.1Å; I74-F91 HydrophobicContact CD1-CD1 3.63Å; I74-F91 HydrophobicContact CD1-CE1 4.18Å; I74-F91 HydrophobicContact CD1-CG 4.37Å; I74-F91 HydrophobicContact CG1-CD1 3.88Å; I74-F91 HydrophobicContact CG1-CE1 4.17Å; L79-F91 VanDerWaalsContact CD2-C 3.42Å; R83-F91 PolarHBondContact N-O 3.29Å; R83-F91 PolarHBondContact O-N 3.22Å; L85-F91 HydrophobicContact CD1-CD2 4.06Å; L85-F91 HydrophobicContact CD1-CE2 3.63Å; L85-F91 HydrophobicContact CG-CD2 4.32Å; L85-F91 HydrophobicContact CG-CE2 4.29Å; H89-F91 HydrophobicContact CB-CE2 3.66Å; H89-F91 HydrophobicContact CB-CZ 4.03Å; F91-L96 HydrophobicContact CB-CB 4.05Å; F91-L96 HydrophobicContact CB-CD1 4.46Å; F91-L96 HydrophobicContact CD2-CD1 4.12Å; F91-L96 HydrophobicContact CG-CD1 4.33Å; F91-P107 HydrophobicContact CD1-CG 4.19Å; F91-P107 HydrophobicContact CE1-CB 3.71Å; F91-P107 HydrophobicContact CE1-CG 3.57Å; F91-P107 HydrophobicContact CE2-CG 4.3Å; F91-P107 HydrophobicContact CZ-CB 3.89Å; F91-P107 HydrophobicContact CZ-CG 3.65Å; F91-L108 HydrophobicContact CE1-CD1 4.3Å; F91-L108 HydrophobicContact CE1-CG 4.23Å; F91-L108 HydrophobicContact CZ-CB 4.46Å; F91-L108 HydrophobicContact CZ-CD1 3.91Å; F91-L108 HydrophobicContact CZ-CG 3.9Å
92	C	96.5	Very high	94	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	143	167.2	-49.2	0	0	0	0	109.3	C72 V80 E94 C95 L96 R147	C72-C92 WeakPolarHBondContact CB-SG 3.31Å; C72-C92 PolarHBondContact SG-N 2.98Å; V80-C92 HydrophobicContact CG1-CB 3.96Å; V80-C92 VanDerWaalsContact O-CA 3.31Å; V80-C92 WeakPolarHBondContact O-CA 3.49Å; V80-C92 WeakPolarHBondContact O-CB 3.36Å; C92-E94 VanDerWaalsContact C-N 3.25Å; C92-E94 PolarHBondContact O-N 3.39Å; C92-C95 HydrophobicContact CB-CB 4.08Å; C92-C95 PolarHBondContact O-N 2.92Å; C92-L96 WeakPolarHBondContact O-CB 3.42Å; C92-L96 PolarHBondContact O-N 3.46Å; C92-R147 PolarHBondContact SG-NH2 3.47Å
93	R	94.8	Very high	93.9	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-49.8	-47.4	179.1	-168.1	-173.9	50	-143.3	-4.3	112.5	V80 N81 R83 L96 Y97 E150 S153 L156 D157	V80-R93 PolarHBondContact O-N 3Å; N81-R93 HydrophobicContact CB-CB 3.83Å; N81-R93 PolarHBondContact ND2-NH2 3.33Å; N81-R93 VanDerWaalsContact O-CB 3.25Å; N81-R93 WeakPolarHBondContact O-CB 3.41Å; N81-R93 PolarHBondContact O-N 3.47Å; R83-R93 HydrophobicContact CG-CB 4.03Å; R83-R93 HydrophobicContact CG-CG 4.13Å; R93-L96 PolarHBondContact O-N 3.17Å; R93-Y97 WeakPolarHBondContact O-CB 3.41Å; R93-Y97 PolarHBondContact O-N 3.46Å; R93-E150 PolarHBondContact NH2-O 3.33Å; R93-S153 WeakPolarHBondContact CD-OG 3.43Å; R93-S153 WeakPolarHBondContact CG-OG 3.47Å; R93-S153 PolarHBondContact NE-OG 2.95Å; R93-L156 HydrophobicContact CG-CB 4.41Å; R93-L156 HydrophobicContact CG-CD1 4.24Å; R93-D157 WeakPolarHBondContact CD-OD1 3.32Å; R93-D157 WeakPolarHBondContact CD-OD2 3.21Å; R93-D157 IonicContact CZ-OD2 3.76Å; R93-D157 IonicContact NE-OD2 2.55Å; R93-D157 IonicContact NH1-OD1 2.69Å; R93-D157 IonicContact NH1-OD2 3.97Å; R93-D157 PolarHBondContact NH1-OD2 3.16Å
94	E	94.6	Very high	93.8	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.033	25%	0.249	C	C	.	.	H	α-helix	trans	-69.7	-45.3	-176.8	-68	-74.2	178.3	0	0	111.9	C92 L96 Y97 Y98 E150 K151 L152 S153	C92-E94 VanDerWaalsContact C-N 3.25Å; C92-E94 PolarHBondContact O-N 3.39Å; E94-L96 VanDerWaalsContact C-N 3.28Å; E94-L96 PolarHBondContact O-N 3.22Å; E94-Y97 WeakPolarHBondContact O-CB 3.46Å; E94-Y97 PolarHBondContact O-N 2.69Å; E94-Y97 VanDerWaalsContact O-N 3.17Å; E94-Y98 WeakPolarHBondContact O-CD2 3.31Å; E94-Y98 PolarHBondContact O-N 3.46Å; E94-E150 WeakPolarHBondContact CB-OE2 3.21Å; E94-E150 HydrophobicContact CG-CB 3.6Å; E94-E150 WeakPolarHBondContact CG-OE2 3.39Å; E94-K151 PolarHBondContact OE1-N 3.01Å; E94-L152 PolarHBondContact OE1-N 3Å; E94-L152 WeakPolarHBondContact OE2-CB 3.4Å; E94-S153 VanDerWaalsContact CD-N 3.28Å; E94-S153 PolarHBondContact OE1-N 2.96Å; E94-S153 PolarHBondContact OE1-OG 3.47Å; E94-S153 VanDerWaalsContact OE2-CB 3.23Å; E94-S153 WeakPolarHBondContact OE2-CB 3.33Å; E94-S153 PolarHBondContact OE2-N 2.96Å; E94-S153 PolarHBondContact OE2-OG 3.41Å
95	C	95.8	Very high	93.8	Very high	15 Å²	15	47.7 Å²	47.7	10%	0.101	24%	0.244	C	C	.	.	H	α-helix	trans	-57	-44.2	175.4	-61.3	0	0	0	0	111.9	I74 C92 Y98 W99	I74-C95 HydrophobicContact CB-CB 3.89Å; I74-C95 HydrophobicContact CD1-CB 3.76Å; I74-C95 HydrophobicContact CG1-CB 4.42Å; I74-C95 HydrophobicContact CG2-CB 3.88Å; C92-C95 HydrophobicContact CB-CB 4.08Å; C92-C95 PolarHBondContact O-N 2.92Å; C95-Y98 PolarHBondContact O-N 2.85Å; C95-W99 PolarHBondContact O-N 3.35Å
96	L	93.9	Very high	94	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.8	-39.3	179	-172.4	63.7	0	0	0	111.7	R83 L85 F91 C92 R93 E94 W99 F100 I118	R83-L96 HydrophobicContact CB-CD2 3.78Å; R83-L96 HydrophobicContact CG-CD2 4.43Å; L85-L96 HydrophobicContact CD2-CD1 4.43Å; L85-L96 HydrophobicContact CD2-CD2 3.87Å; F91-L96 HydrophobicContact CB-CB 4.05Å; F91-L96 HydrophobicContact CB-CD1 4.46Å; F91-L96 HydrophobicContact CD2-CD1 4.12Å; F91-L96 HydrophobicContact CG-CD1 4.33Å; C92-L96 WeakPolarHBondContact O-CB 3.42Å; C92-L96 PolarHBondContact O-N 3.46Å; R93-L96 PolarHBondContact O-N 3.17Å; E94-L96 VanDerWaalsContact C-N 3.28Å; E94-L96 PolarHBondContact O-N 3.22Å; L96-W99 WeakPolarHBondContact O-CB 3.44Å; L96-W99 PolarHBondContact O-N 2.93Å; L96-F100 HydrophobicContact CD1-CD2 4.47Å; L96-F100 HydrophobicContact CD1-CE1 4.18Å; L96-F100 HydrophobicContact CD1-CE2 3.87Å; L96-F100 HydrophobicContact CD1-CZ 3.66Å; L96-F100 HydrophobicContact CD2-CE2 3.72Å; L96-F100 HydrophobicContact CD2-CZ 3.98Å; L96-F100 HydrophobicContact CG-CD2 3.95Å; L96-F100 HydrophobicContact CG-CE2 3.37Å; L96-F100 HydrophobicContact CG-CZ 3.69Å; L96-F100 WeakPolarHBondContact O-CD2 3.07Å; L96-F100 VanDerWaalsContact O-CG 3.31Å; L96-F100 WeakPolarHBondContact O-CG 3.17Å; L96-F100 PolarHBondContact O-N 2.96Å; L96-I118 HydrophobicContact CD2-CD1 4.35Å; L96-I118 HydrophobicContact CD2-CG2 4.22Å
97	Y	92.9	Very high	94.2	Very high	42 Å²	42	43 Å²	43	17%	0.165	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-45.6	174.1	170	-97.2	0	0	0	112.8	R93 E94 W99 F100 K101 L152 L156	R93-Y97 WeakPolarHBondContact O-CB 3.41Å; R93-Y97 PolarHBondContact O-N 3.46Å; E94-Y97 WeakPolarHBondContact O-CB 3.46Å; E94-Y97 PolarHBondContact O-N 2.69Å; E94-Y97 VanDerWaalsContact O-N 3.17Å; Y97-W99 VanDerWaalsContact C-N 3.34Å; Y97-F100 PolarHBondContact O-N 3.08Å; Y97-K101 VanDerWaalsContact CZ-CE 3.46Å; Y97-K101 PolarHBondContact O-N 3.49Å; Y97-K101 WeakPolarHBondContact OH-CE 3.14Å; Y97-L152 HydrophobicContact CD1-CD2 4.21Å; Y97-L152 HydrophobicContact CD1-CG 4.21Å; Y97-L152 HydrophobicContact CE1-CB 4.42Å; Y97-L152 HydrophobicContact CE1-CD2 3.6Å; Y97-L152 HydrophobicContact CE1-CG 3.52Å; Y97-L156 HydrophobicContact CD2-CD1 4.49Å; Y97-L156 HydrophobicContact CD2-CD2 4.5Å; Y97-L156 HydrophobicContact CD2-CG 4.12Å
98	Y	92.6	Very high	94.3	Very high	124 Å²	124	45.5 Å²	45.5	49%	0.486	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-41.1	175.8	-74	-68.7	0	0	0	111.9	E94 C95 F100 K101 L152	E94-Y98 WeakPolarHBondContact O-CD2 3.31Å; E94-Y98 PolarHBondContact O-N 3.46Å; C95-Y98 PolarHBondContact O-N 2.85Å; Y98-F100 VanDerWaalsContact C-N 3.28Å; Y98-F100 PolarHBondContact O-N 3.17Å; Y98-K101 HydrophobicContact CD1-CD 4.49Å; Y98-K101 WeakPolarHBondContact O-CB 3.31Å; Y98-K101 PolarHBondContact O-N 3.13Å; Y98-K101 VanDerWaalsContact O-N 3.13Å; Y98-L152 HydrophobicContact CD1-CD2 4.45Å; Y98-L152 HydrophobicContact CE1-CD2 3.42Å; Y98-L152 VanDerWaalsContact CE1-CD2 3.42Å; Y98-L152 HydrophobicContact CE2-CD2 4.27Å; Y98-L152 WeakPolarHBondContact OH-CD2 3.17Å
99	W	94.4	Very high	94.5	Very high	71 Å²	71	45.4 Å²	45.4	27%	0.269	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-39.9	175.4	179.6	-100.4	0	0	0	112.4	I74 C95 L96 Y97 K101 I102 S103 T105 P107	I74-W99 HydrophobicContact CD1-CB 4.28Å; C95-W99 PolarHBondContact O-N 3.35Å; L96-W99 WeakPolarHBondContact O-CB 3.44Å; L96-W99 PolarHBondContact O-N 2.93Å; Y97-W99 VanDerWaalsContact C-N 3.34Å; W99-K101 PolarHBondContact O-N 3.37Å; W99-K101 VanDerWaalsContact O-N 3.17Å; W99-I102 HydrophobicContact CD2-CD1 4.47Å; W99-I102 HydrophobicContact CD2-CG1 4.44Å; W99-I102 HydrophobicContact CE3-CD1 3.73Å; W99-I102 HydrophobicContact CE3-CG1 4.17Å; W99-I102 HydrophobicContact CZ3-CD1 3.8Å; W99-I102 WeakPolarHBondContact O-CG1 3.3Å; W99-I102 PolarHBondContact O-N 2.98Å; W99-S103 PolarHBondContact O-N 3.06Å; W99-T105 PolarHBondContact NE1-O 3.43Å; W99-P107 HydrophobicContact CD2-CB 4.33Å; W99-P107 HydrophobicContact CD2-CG 3.89Å; W99-P107 HydrophobicContact CG-CG 3.8Å; W99-P107 HydrophobicContact CZ2-CB 4.36Å
100	F	91.2	Very high	94.5	Very high	23 Å²	23	51.7 Å²	51.7	10%	0.101	24%	0.244	C	C	.	.	H	α-helix	trans	-66	-15.8	178.1	-71	-42.2	0	0	0	115.3	L96 Y97 Y98 I102 S103 I113 Y115 I118 L156	L96-F100 HydrophobicContact CD1-CD2 4.47Å; L96-F100 HydrophobicContact CD1-CE1 4.18Å; L96-F100 HydrophobicContact CD1-CE2 3.87Å; L96-F100 HydrophobicContact CD1-CZ 3.66Å; L96-F100 HydrophobicContact CD2-CE2 3.72Å; L96-F100 HydrophobicContact CD2-CZ 3.98Å; L96-F100 HydrophobicContact CG-CD2 3.95Å; L96-F100 HydrophobicContact CG-CE2 3.37Å; L96-F100 HydrophobicContact CG-CZ 3.69Å; L96-F100 WeakPolarHBondContact O-CD2 3.07Å; L96-F100 VanDerWaalsContact O-CG 3.31Å; L96-F100 WeakPolarHBondContact O-CG 3.17Å; L96-F100 PolarHBondContact O-N 2.96Å; Y97-F100 PolarHBondContact O-N 3.08Å; Y98-F100 VanDerWaalsContact C-N 3.28Å; Y98-F100 PolarHBondContact O-N 3.17Å; F100-I102 PolarHBondContact O-N 3.28Å; F100-S103 WeakPolarHBondContact CA-O 3.46Å; F100-S103 WeakPolarHBondContact CD1-O 3.2Å; F100-I113 HydrophobicContact CE1-CB 4.14Å; F100-I113 HydrophobicContact CE1-CD1 3.48Å; F100-I113 VanDerWaalsContact CE1-CD1 3.48Å; F100-I113 HydrophobicContact CE1-CG1 4.44Å; F100-I113 HydrophobicContact CE1-CG2 4.08Å; F100-I113 HydrophobicContact CZ-CB 4.39Å; F100-I113 HydrophobicContact CZ-CD1 3.8Å; F100-I113 HydrophobicContact CZ-CG2 3.85Å; F100-Y115 HydrophobicContact CB-CE1 3.93Å; F100-Y115 WeakPolarHBondContact CB-OH 3.49Å; F100-Y115 AromaticContact CD1-CE1 3.67Å; F100-Y115 HydrophobicContact CD1-CE1 3.67Å; F100-Y115 AromaticContact CD1-CZ 3.87Å; F100-Y115 WeakPolarHBondContact CD1-OH 3.23Å; F100-Y115 HydrophobicContact CD2-CD1 4.09Å; F100-Y115 AromaticContact CD2-CE1 3.37Å; F100-Y115 HydrophobicContact CD2-CE1 3.37Å; F100-Y115 AromaticContact CE1-CE1 3.91Å; F100-Y115 HydrophobicContact CE1-CE1 3.91Å; F100-Y115 AromaticContact CE2-CD1 3.9Å; F100-Y115 HydrophobicContact CE2-CD1 3.9Å; F100-Y115 AromaticContact CE2-CE1 3.57Å; F100-Y115 HydrophobicContact CE2-CE1 3.57Å; F100-Y115 HydrophobicContact CG-CD1 4.49Å; F100-Y115 AromaticContact CG-CE1 3.41Å; F100-Y115 HydrophobicContact CG-CE1 3.41Å; F100-Y115 VanDerWaalsContact CG-CE1 3.41Å; F100-Y115 AromaticContact CG-CZ 3.91Å; F100-Y115 HydrophobicContact CZ-CD1 4.22Å; F100-Y115 AromaticContact CZ-CE1 3.87Å; F100-Y115 HydrophobicContact CZ-CE1 3.87Å; F100-I118 HydrophobicContact CE2-CD1 3.48Å; F100-I118 VanDerWaalsContact CE2-CD1 3.48Å; F100-I118 HydrophobicContact CZ-CD1 3.6Å; F100-L156 HydrophobicContact CD2-CD1 4.38Å; F100-L156 HydrophobicContact CD2-CD2 4.11Å; F100-L156 HydrophobicContact CE2-CD1 4.49Å; F100-L156 HydrophobicContact CE2-CD2 4.35Å
101	K	90.6	Very high	94.4	Very high	123 Å²	123	56.2 Å²	56.2	54%	0.535	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.3	170.2	-62.6	-175.2	175.6	-179.4	0	112.7	Y97 Y98 W99	Y97-K101 VanDerWaalsContact CZ-CE 3.46Å; Y97-K101 PolarHBondContact O-N 3.49Å; Y97-K101 WeakPolarHBondContact OH-CE 3.14Å; Y98-K101 HydrophobicContact CD1-CD 4.49Å; Y98-K101 WeakPolarHBondContact O-CB 3.31Å; Y98-K101 PolarHBondContact O-N 3.13Å; Y98-K101 VanDerWaalsContact O-N 3.13Å; W99-K101 PolarHBondContact O-N 3.37Å; W99-K101 VanDerWaalsContact O-N 3.17Å
102	I	93	Very high	94.2	Very high	108 Å²	108	61 Å²	61	55%	0.554	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-27.2	-176.2	60.3	170.2	0	0	0	113.6	W99 F100	W99-I102 HydrophobicContact CD2-CD1 4.47Å; W99-I102 HydrophobicContact CD2-CG1 4.44Å; W99-I102 HydrophobicContact CE3-CD1 3.73Å; W99-I102 HydrophobicContact CE3-CG1 4.17Å; W99-I102 HydrophobicContact CZ3-CD1 3.8Å; W99-I102 WeakPolarHBondContact O-CG1 3.3Å; W99-I102 PolarHBondContact O-N 2.98Å; F100-I102 PolarHBondContact O-N 3.28Å
103	S	93.5	Very high	93.9	Very high	31 Å²	31	61.9 Å²	61.9	22%	0.217	30%	0.301	C	S	.	.			trans	-154.6	139.4	-175.9	179.3	0	0	0	0	112.1	W99 F100 T105	W99-S103 PolarHBondContact O-N 3.06Å; F100-S103 WeakPolarHBondContact CA-O 3.46Å; F100-S103 WeakPolarHBondContact CD1-O 3.2Å; S103-T105 PolarHBondContact OG-N 2.96Å; S103-T105 PolarHBondContact OG-OG1 3.23Å
104	N	91.9	Very high	93.4	Very high	90 Å²	90	64.4 Å²	64.4	48%	0.481	32%	0.316	S	S	.	.	S	Bend	trans	-96.3	23.8	176.1	66.4	-12.7	0	0	0	113.3	I113	N104-I113 PolarHBondContact O-N 3.04Å
105	T	95.2	Very high	92.9	Very high	32 Å²	32	68.3 Å²	68.3	20%	0.196	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-117.2	159.6	-178.7	60.9	0	0	0	0	111.4	W99 S103 P107 R110 K111 I113	W99-T105 PolarHBondContact NE1-O 3.43Å; S103-T105 PolarHBondContact OG-N 2.96Å; S103-T105 PolarHBondContact OG-OG1 3.23Å; T105-P107 WeakPolarHBondContact O-CD 3.41Å; T105-R110 WeakPolarHBondContact CB-O 3.35Å; T105-K111 CarbonylContact C-O 3.6Å; T105-K111 WeakPolarHBondContact CA-O 3.28Å; T105-I113 WeakPolarHBondContact O-CD1 3.48Å
106	C	96.2	Very high	92.1	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.34	C	S	.	.			trans	-61	127.3	174.4	178.9	0	0	0	0	111.2	L85 H89 L108 C109 R110 K111 I113	L85-C106 HydrophobicContact CD1-CB 3.98Å; H89-C106 PolarHBondContact ND1-SG 2.97Å; H89-C106 VanDerWaalsContact ND1-SG 3.43Å; C106-L108 PolarHBondContact O-N 2.81Å; C106-L108 VanDerWaalsContact O-N 3.08Å; C106-L108 PolarHBondContact SG-N 3.16Å; C106-L108 VanDerWaalsContact SG-N 3.42Å; C106-C109 VanDerWaalsContact SG-SG 3.67Å; C106-R110 WeakPolarHBondContact O-CA 3.46Å; C106-R110 PolarHBondContact O-N 3.49Å; C106-K111 PolarHBondContact N-O 3.48Å; C106-I113 HydrophobicContact CB-CD1 4.33Å
107	P	96	Very high	91.6	Very high	33 Å²	33	75.9 Å²	75.9	21%	0.214	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.7	176.1	-23.3	28	0	0	0	114.2	I74 F91 W99 T105	I74-P107 HydrophobicContact CD1-CG 3.97Å; I74-P107 HydrophobicContact CG1-CB 4.44Å; I74-P107 HydrophobicContact CG1-CG 4.41Å; F91-P107 HydrophobicContact CD1-CG 4.19Å; F91-P107 HydrophobicContact CE1-CB 3.71Å; F91-P107 HydrophobicContact CE1-CG 3.57Å; F91-P107 HydrophobicContact CE2-CG 4.3Å; F91-P107 HydrophobicContact CZ-CB 3.89Å; F91-P107 HydrophobicContact CZ-CG 3.65Å; W99-P107 HydrophobicContact CD2-CB 4.33Å; W99-P107 HydrophobicContact CD2-CG 3.89Å; W99-P107 HydrophobicContact CG-CG 3.8Å; W99-P107 HydrophobicContact CZ2-CB 4.36Å; T105-P107 WeakPolarHBondContact O-CD 3.41Å
108	L	95.6	Very high	91.4	Very high	89 Å²	89	75.3 Å²	75.3	47%	0.466	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-52.8	-177	-72.1	173.3	0	0	0	113.3	S73 H89 F91 C106	S73-L108 WeakPolarHBondContact OG-CD2 3.3Å; H89-L108 HydrophobicContact CB-CD1 4.01Å; H89-L108 WeakPolarHBondContact CD2-CD1 3.24Å; F91-L108 HydrophobicContact CE1-CD1 4.3Å; F91-L108 HydrophobicContact CE1-CG 4.23Å; F91-L108 HydrophobicContact CZ-CB 4.46Å; F91-L108 HydrophobicContact CZ-CD1 3.91Å; F91-L108 HydrophobicContact CZ-CG 3.9Å; C106-L108 PolarHBondContact O-N 2.81Å; C106-L108 VanDerWaalsContact O-N 3.08Å; C106-L108 PolarHBondContact SG-N 3.16Å; C106-L108 VanDerWaalsContact SG-N 3.42Å
109	C	96.8	Very high	91.3	Very high	49 Å²	49	72.9 Å²	72.9	33%	0.331	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	1.1	-173.2	68	0	0	0	0	114.9	H89 C106 K111	H89-C109 PolarHBondContact ND1-SG 3.24Å; C106-C109 VanDerWaalsContact SG-SG 3.67Å; C109-K111 PolarHBondContact O-N 3.5Å
110	R	95.5	Very high	91.3	Very high	194 Å²	194	72 Å²	72	73%	0.732	36%	0.36	S	S	*	.			trans	59.3	9.2	177.7	-53.9	178.1	-178.2	-98.2	-0.5	115.6	T105 C106	T105-R110 WeakPolarHBondContact CB-O 3.35Å; C106-R110 WeakPolarHBondContact O-CA 3.46Å; C106-R110 PolarHBondContact O-N 3.49Å
111	K	94.7	Very high	91.4	Very high	130 Å²	130	71.2 Å²	71.2	57%	0.565	36%	0.357	S	S	*	.			trans	-61.3	138.3	170.2	-70	-178.1	-178.5	179	0	109.7	C87 T105 C106 C109	C87-K111 HydrophobicContact CB-CB 4.44Å; C87-K111 HydrophobicContact CB-CD 3.86Å; T105-K111 CarbonylContact C-O 3.6Å; T105-K111 WeakPolarHBondContact CA-O 3.28Å; C106-K111 PolarHBondContact N-O 3.48Å; C109-K111 PolarHBondContact O-N 3.5Å
112	S	93.5	Very high	91.5	Very high	100 Å²	100	70.4 Å²	70.4	70%	0.699	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-58.1	138.2	175.7	-175.1	0	0	0	0	110.8
113	I	89.4	Confident	91.7	Very high	18 Å²	18	70.8 Å²	70.8	9%	0.092	36%	0.361	C	S	.	.			trans	-107.2	131.6	178.3	-62.1	163.8	0	0	0	108.8	L85 F100 N104 T105 C106 I118	L85-I113 HydrophobicContact CD1-CD1 3.45Å; L85-I113 VanDerWaalsContact CD1-CD1 3.45Å; L85-I113 HydrophobicContact CD1-CG1 3.99Å; L85-I113 HydrophobicContact CD2-CD1 3.91Å; L85-I113 HydrophobicContact CD2-CG1 4.26Å; L85-I113 HydrophobicContact CD2-CG2 4.04Å; L85-I113 HydrophobicContact CG-CD1 4.31Å; F100-I113 HydrophobicContact CE1-CB 4.14Å; F100-I113 HydrophobicContact CE1-CD1 3.48Å; F100-I113 VanDerWaalsContact CE1-CD1 3.48Å; F100-I113 HydrophobicContact CE1-CG1 4.44Å; F100-I113 HydrophobicContact CE1-CG2 4.08Å; F100-I113 HydrophobicContact CZ-CB 4.39Å; F100-I113 HydrophobicContact CZ-CD1 3.8Å; F100-I113 HydrophobicContact CZ-CG2 3.85Å; N104-I113 PolarHBondContact O-N 3.04Å; T105-I113 WeakPolarHBondContact O-CD1 3.48Å; C106-I113 HydrophobicContact CB-CD1 4.33Å; I113-I118 HydrophobicContact CG2-CD1 4.15Å; I113-I118 HydrophobicContact CG2-CG1 4.14Å
114	N	85	Confident	91.8	Very high	73 Å²	73	70.3 Å²	70.3	39%	0.39	36%	0.355	S	S	.	.			trans	-100.1	121.8	162.2	177.5	-21.4	0	0	0	108.2	H116 Y117	N114-H116 PolarHBondContact O-N 3.21Å; N114-H116 VanDerWaalsContact O-N 3.14Å; N114-H116 VanDerWaalsContact OD1-CB 3.3Å; N114-H116 WeakPolarHBondContact OD1-CB 2.97Å; N114-H116 PolarHBondContact OD1-CD2 2.87Å; N114-H116 PolarHBondContact OD1-N 3.49Å; N114-Y117 HydrophobicContact CB-CD2 3.77Å; N114-Y117 HydrophobicContact CB-CE2 4.14Å; N114-Y117 PolarHBondContact O-N 3.46Å; N114-Y117 VanDerWaalsContact O-N 3.07Å
115	Y	82.8	Confident	92	Very high	89 Å²	89	66.5 Å²	66.5	35%	0.349	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-56.9	-26.5	-177.6	-64.4	-83.7	0	0	0	113.9	F100 Y117 I118 L156	F100-Y115 HydrophobicContact CB-CE1 3.93Å; F100-Y115 WeakPolarHBondContact CB-OH 3.49Å; F100-Y115 AromaticContact CD1-CE1 3.67Å; F100-Y115 HydrophobicContact CD1-CE1 3.67Å; F100-Y115 AromaticContact CD1-CZ 3.87Å; F100-Y115 WeakPolarHBondContact CD1-OH 3.23Å; F100-Y115 HydrophobicContact CD2-CD1 4.09Å; F100-Y115 AromaticContact CD2-CE1 3.37Å; F100-Y115 HydrophobicContact CD2-CE1 3.37Å; F100-Y115 AromaticContact CE1-CE1 3.91Å; F100-Y115 HydrophobicContact CE1-CE1 3.91Å; F100-Y115 AromaticContact CE2-CD1 3.9Å; F100-Y115 HydrophobicContact CE2-CD1 3.9Å; F100-Y115 AromaticContact CE2-CE1 3.57Å; F100-Y115 HydrophobicContact CE2-CE1 3.57Å; F100-Y115 HydrophobicContact CG-CD1 4.49Å; F100-Y115 AromaticContact CG-CE1 3.41Å; F100-Y115 HydrophobicContact CG-CE1 3.41Å; F100-Y115 VanDerWaalsContact CG-CE1 3.41Å; F100-Y115 AromaticContact CG-CZ 3.91Å; F100-Y115 HydrophobicContact CZ-CD1 4.22Å; F100-Y115 AromaticContact CZ-CE1 3.87Å; F100-Y115 HydrophobicContact CZ-CE1 3.87Å; Y115-Y117 PolarHBondContact O-N 3.44Å; Y115-I118 HydrophobicContact CD1-CD1 3.98Å; Y115-I118 PolarHBondContact O-N 2.74Å; Y115-L156 HydrophobicContact CD1-CD2 4.4Å
116	H	79.8	Confident	92.1	Very high	65 Å²	65	69.4 Å²	69.4	30%	0.301	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-65.8	-21.3	178.9	-64	-141	0	0	0	112.9	N114 Y159	N114-H116 PolarHBondContact O-N 3.21Å; N114-H116 VanDerWaalsContact O-N 3.14Å; N114-H116 VanDerWaalsContact OD1-CB 3.3Å; N114-H116 WeakPolarHBondContact OD1-CB 2.97Å; N114-H116 PolarHBondContact OD1-CD2 2.87Å; N114-H116 PolarHBondContact OD1-N 3.49Å; H116-Y159 HydrophobicContact CB-CD1 4.19Å; H116-Y159 HydrophobicContact CB-CE1 3.83Å; H116-Y159 AromaticContact CD2-CE1 3.21Å; H116-Y159 WeakPolarHBondContact CD2-CE1 3.3Å; H116-Y159 AromaticContact CD2-CZ 3.22Å; H116-Y159 PolarHBondContact CD2-OH 3.47Å; H116-Y159 AromaticContact CE1-CE1 3.54Å; H116-Y159 AromaticContact CE1-CZ 3.39Å; H116-Y159 PolarHBondContact CE1-OH 3.07Å; H116-Y159 AromaticContact CG-CD1 3.92Å; H116-Y159 AromaticContact CG-CE1 3.12Å; H116-Y159 AromaticContact CG-CZ 3.63Å; H116-Y159 AromaticContact ND1-CE1 3.32Å; H116-Y159 VanDerWaalsContact ND1-CE1 3.32Å; H116-Y159 WeakPolarHBondContact ND1-CE1 3.5Å; H116-Y159 AromaticContact ND1-CZ 3.7Å; H116-Y159 PolarHBondContact ND1-OH 3.24Å; H116-Y159 AromaticContact NE2-CE1 3.53Å; H116-Y159 AromaticContact NE2-CE2 3.98Å; H116-Y159 AromaticContact NE2-CZ 3.11Å; H116-Y159 PolarHBondContact NE2-OH 3.02Å
117	Y	83.7	Confident	92.2	Very high	110 Å²	110	73.4 Å²	73.4	43%	0.431	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-112.4	25.4	-173.9	-52.5	-58.9	0	0	0	112.9	L86 N114 Y115	L86-Y117 VanDerWaalsContact CD1-CB 3.42Å; L86-Y117 HydrophobicContact CD1-CD2 3.58Å; L86-Y117 HydrophobicContact CD1-CG 3.66Å; L86-Y117 VanDerWaalsContact CG-CB 3.45Å; L86-Y117 HydrophobicContact CG-CG 4.23Å; N114-Y117 HydrophobicContact CB-CD2 3.77Å; N114-Y117 HydrophobicContact CB-CE2 4.14Å; N114-Y117 PolarHBondContact O-N 3.46Å; N114-Y117 VanDerWaalsContact O-N 3.07Å; Y115-Y117 PolarHBondContact O-N 3.44Å
118	I	88.6	Confident	92.2	Very high	29 Å²	29	71.9 Å²	71.9	15%	0.149	36%	0.357	C	S	.	.			trans	-87.8	117.6	171.4	-56.9	176.9	0	0	0	108	R83 L85 L96 F100 I113 Y115	R83-I118 HydrophobicContact CB-CG2 3.76Å; R83-I118 HydrophobicContact CG-CG2 4.11Å; L85-I118 HydrophobicContact CD2-CD1 4.37Å; L85-I118 HydrophobicContact CD2-CG1 4Å; L85-I118 HydrophobicContact CD2-CG2 4.44Å; L96-I118 HydrophobicContact CD2-CD1 4.35Å; L96-I118 HydrophobicContact CD2-CG2 4.22Å; F100-I118 HydrophobicContact CE2-CD1 3.48Å; F100-I118 VanDerWaalsContact CE2-CD1 3.48Å; F100-I118 HydrophobicContact CZ-CD1 3.6Å; I113-I118 HydrophobicContact CG2-CD1 4.15Å; I113-I118 HydrophobicContact CG2-CG1 4.14Å; Y115-I118 HydrophobicContact CD1-CD1 3.98Å; Y115-I118 PolarHBondContact O-N 2.74Å
119	I	91	Very high	92.2	Very high	74 Å²	74	69.1 Å²	69.1	38%	0.379	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.6	-174.1	-59.2	171.2	0	0	0	109.3	R83 L84 A121	R83-I119 WeakPolarHBondContact CA-O 3.28Å; L84-I119 HydrophobicContact CB-CB 4.42Å; L84-I119 PolarHBondContact N-O 2.88Å; L84-I119 PolarHBondContact O-N 3.47Å; I119-A121 PolarHBondContact O-N 3.21Å
120	S	92.6	Very high	92.2	Very high	53 Å²	53	72.9 Å²	72.9	37%	0.371	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.3	170.5	-66.1	0	0	0	0	110.1	R83 I122	R83-S120 PolarHBondContact NE-OG 3.29Å; R83-S120 PolarHBondContact NH1-OG 2.88Å; R83-S120 PolarHBondContact NH2-OG 3.33Å; S120-I122 VanDerWaalsContact C-N 3.32Å; S120-I122 PolarHBondContact O-N 3.44Å; S120-I122 VanDerWaalsContact O-N 3.12Å
121	A	93.4	Very high	92.2	Very high	6 Å²	6	64.7 Å²	64.7	5%	0.05	33%	0.326	C	S	.	.			trans	-89.2	66.8	-178.5	0	0	0	0	0	111.4	T82 L84 I119 N123 I124 D125	T82-A121 HydrophobicContact CG2-CB 3.91Å; T82-A121 PolarHBondContact O-N 3.45Å; L84-A121 HydrophobicContact CB-CB 4.48Å; I119-A121 PolarHBondContact O-N 3.21Å; A121-N123 PolarHBondContact O-N 3.36Å; A121-I124 HydrophobicContact CB-CB 4.32Å; A121-I124 HydrophobicContact CB-CD1 3.83Å; A121-I124 HydrophobicContact CB-CG1 4.07Å; A121-I124 WeakPolarHBondContact O-CB 3.38Å; A121-I124 PolarHBondContact O-N 3.05Å; A121-D125 PolarHBondContact O-N 3.46Å
122	I	94.1	Very high	92.2	Very high	105 Å²	105	58.8 Å²	58.8	54%	0.538	30%	0.301	S	S	.	.	H	α-helix	trans	-58.4	-35.3	-173.4	-59.4	169.7	0	0	0	111.9	S120 I124 D125 N126	S120-I122 VanDerWaalsContact C-N 3.32Å; S120-I122 PolarHBondContact O-N 3.44Å; S120-I122 VanDerWaalsContact O-N 3.12Å; I122-I124 VanDerWaalsContact C-N 3.27Å; I122-I124 PolarHBondContact O-N 2.86Å; I122-D125 PolarHBondContact O-N 3.02Å; I122-N126 WeakPolarHBondContact O-CB 3.41Å; I122-N126 PolarHBondContact O-N 3.28Å; I122-N126 PolarHBondContact O-OD1 3.44Å
123	N	95.5	Very high	92.3	Very high	116 Å²	116	58.7 Å²	58.7	62%	0.62	29%	0.292	S	S	*	.	H	α-helix	trans	-61	-35.2	177.1	61.3	-53.1	0	0	0	112.7	A121 F127	A121-N123 PolarHBondContact O-N 3.36Å; N123-F127 WeakPolarHBondContact O-CB 3.37Å; N123-F127 PolarHBondContact O-N 3.1Å
124	I	96.4	Very high	92.4	Very high	21 Å²	21	63.7 Å²	63.7	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-69.7	-44.5	175.5	-61.4	-177.4	0	0	0	110	F70 L79 T82 A121 I122 N126 F127 L128	F70-I124 HydrophobicContact CD1-CG2 3.59Å; F70-I124 HydrophobicContact CE1-CD1 4.3Å; F70-I124 HydrophobicContact CE1-CG1 4.2Å; F70-I124 HydrophobicContact CE1-CG2 3.84Å; L79-I124 HydrophobicContact CD1-CG2 4.45Å; T82-I124 HydrophobicContact CG2-CB 4.43Å; T82-I124 HydrophobicContact CG2-CD1 4.21Å; T82-I124 HydrophobicContact CG2-CG2 4.26Å; A121-I124 HydrophobicContact CB-CB 4.32Å; A121-I124 HydrophobicContact CB-CD1 3.83Å; A121-I124 HydrophobicContact CB-CG1 4.07Å; A121-I124 WeakPolarHBondContact O-CB 3.38Å; A121-I124 PolarHBondContact O-N 3.05Å; I122-I124 VanDerWaalsContact C-N 3.27Å; I122-I124 PolarHBondContact O-N 2.86Å; I124-N126 VanDerWaalsContact C-N 3.35Å; I124-N126 PolarHBondContact O-N 3.12Å; I124-F127 PolarHBondContact O-N 3.29Å; I124-L128 HydrophobicContact CG2-CD1 3.94Å; I124-L128 HydrophobicContact CG2-CG 4.42Å; I124-L128 WeakPolarHBondContact O-CB 3.45Å; I124-L128 WeakPolarHBondContact O-CG 3.31Å; I124-L128 PolarHBondContact O-N 2.96Å
125	D	96.6	Very high	92.7	Very high	11 Å²	11	61.3 Å²	61.3	6%	0.059	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-45.1	177.4	-68.9	-50.7	0	0	0	111.4	N81 T82 A121 I122 L128 D129 R144	N81-D125 WeakPolarHBondContact CA-OD2 3.26Å; N81-D125 PolarHBondContact N-OD1 3.34Å; T82-D125 PolarHBondContact N-OD1 2.83Å; T82-D125 VanDerWaalsContact N-OD1 3.1Å; T82-D125 PolarHBondContact N-OD2 2.96Å; T82-D125 PolarHBondContact OG1-OD1 3.24Å; A121-D125 PolarHBondContact O-N 3.46Å; I122-D125 PolarHBondContact O-N 3.02Å; D125-L128 PolarHBondContact O-N 3.42Å; D125-D129 WeakPolarHBondContact O-CB 3.47Å; D125-D129 PolarHBondContact O-N 3.07Å; D125-R144 PolarHBondContact O-NH2 2.94Å
126	N	97.1	Very high	92.9	Very high	93 Å²	93	63.3 Å²	63.3	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-45.9	177.6	-68.7	-8.2	0	0	0	112	I122 I124 L128 D129 E130	I122-N126 WeakPolarHBondContact O-CB 3.41Å; I122-N126 PolarHBondContact O-N 3.28Å; I122-N126 PolarHBondContact O-OD1 3.44Å; I124-N126 VanDerWaalsContact C-N 3.35Å; I124-N126 PolarHBondContact O-N 3.12Å; N126-L128 PolarHBondContact O-N 3.21Å; N126-D129 WeakPolarHBondContact O-CB 3.3Å; N126-D129 PolarHBondContact O-N 3.09Å; N126-E130 PolarHBondContact O-N 2.81Å
127	F	97.1	Very high	93.5	Very high	84 Å²	84	62.4 Å²	62.4	37%	0.368	34%	0.335	S	S	.	.	H	α-helix	trans	-59.6	-47.2	177.5	168.5	-104.7	0	0	0	111.6	I66 F70 N123 I124 D129 E130 L131	I66-F127 HydrophobicContact CD1-CZ 4.32Å; I66-F127 HydrophobicContact CG1-CZ 4.42Å; F70-F127 HydrophobicContact CD2-CD1 4.39Å; F70-F127 AromaticContact CD2-CE1 3.97Å; F70-F127 HydrophobicContact CD2-CE1 3.97Å; F70-F127 AromaticContact CE2-CD1 3.86Å; F70-F127 HydrophobicContact CE2-CD1 3.86Å; F70-F127 AromaticContact CE2-CE1 3.43Å; F70-F127 HydrophobicContact CE2-CE1 3.43Å; F70-F127 VanDerWaalsContact CE2-CE1 3.43Å; F70-F127 HydrophobicContact CE2-CZ 4.41Å; F70-F127 HydrophobicContact CZ-CD1 4.04Å; F70-F127 HydrophobicContact CZ-CE1 4.03Å; N123-F127 WeakPolarHBondContact O-CB 3.37Å; N123-F127 PolarHBondContact O-N 3.1Å; I124-F127 PolarHBondContact O-N 3.29Å; F127-D129 VanDerWaalsContact C-N 3.33Å; F127-D129 PolarHBondContact O-N 2.88Å; F127-E130 PolarHBondContact O-N 3.1Å; F127-L131 HydrophobicContact CE1-CD2 4.41Å; F127-L131 HydrophobicContact CZ-CD2 4.45Å; F127-L131 WeakPolarHBondContact O-CB 3.45Å; F127-L131 PolarHBondContact O-N 3.21Å
128	L	96.9	Very high	93.9	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-67	-34.4	178.4	-70.3	174	0	0	0	112.1	F70 L78 L79 I124 D125 N126 I132	F70-L128 HydrophobicContact CB-CD1 4.12Å; F70-L128 HydrophobicContact CB-CD2 3.88Å; F70-L128 HydrophobicContact CB-CG 4.45Å; F70-L128 HydrophobicContact CD2-CD2 4.18Å; F70-L128 HydrophobicContact CG-CD2 4.09Å; L78-L128 HydrophobicContact CD1-CD2 4.48Å; L78-L128 HydrophobicContact CD2-CD2 4.39Å; L79-L128 HydrophobicContact CB-CD1 4.14Å; L79-L128 VanDerWaalsContact O-CD1 3.31Å; L79-L128 WeakPolarHBondContact O-CD1 3.33Å; I124-L128 HydrophobicContact CG2-CD1 3.94Å; I124-L128 HydrophobicContact CG2-CG 4.42Å; I124-L128 WeakPolarHBondContact O-CB 3.45Å; I124-L128 WeakPolarHBondContact O-CG 3.31Å; I124-L128 PolarHBondContact O-N 2.96Å; D125-L128 PolarHBondContact O-N 3.42Å; N126-L128 PolarHBondContact O-N 3.21Å; L128-I132 HydrophobicContact CB-CD1 4.5Å; L128-I132 VanDerWaalsContact O-CB 3.28Å; L128-I132 WeakPolarHBondContact O-CB 3.48Å; L128-I132 VanDerWaalsContact O-CD1 3.3Å; L128-I132 WeakPolarHBondContact O-CD1 3.4Å; L128-I132 WeakPolarHBondContact O-CG1 3.36Å; L128-I132 PolarHBondContact O-N 2.9Å
129	D	96.6	Very high	94.1	Very high	32 Å²	32	66 Å²	66	17%	0.171	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-51.2	173.1	-67	-25.8	0	0	0	111.3	D125 N126 F127 L131 I132 N133 R144 K148	D125-D129 WeakPolarHBondContact O-CB 3.47Å; D125-D129 PolarHBondContact O-N 3.07Å; N126-D129 WeakPolarHBondContact O-CB 3.3Å; N126-D129 PolarHBondContact O-N 3.09Å; F127-D129 VanDerWaalsContact C-N 3.33Å; F127-D129 PolarHBondContact O-N 2.88Å; D129-L131 VanDerWaalsContact C-N 3.33Å; D129-L131 PolarHBondContact O-N 2.81Å; D129-I132 PolarHBondContact O-N 3Å; D129-N133 WeakPolarHBondContact O-CB 3.25Å; D129-N133 PolarHBondContact O-N 2.83Å; D129-N133 PolarHBondContact O-ND2 2.88Å; D129-N133 VanDerWaalsContact O-ND2 3.08Å; D129-R144 IonicContact OD1-CZ 3.2Å; D129-R144 IonicContact OD1-NE 3.63Å; D129-R144 PolarHBondContact OD1-NE 3.43Å; D129-R144 IonicContact OD1-NH2 2.88Å; D129-R144 PolarHBondContact OD1-NH2 3.02Å; D129-K148 WeakPolarHBondContact OD1-CE 3.36Å; D129-K148 IonicContact OD1-NZ 2.81Å; D129-K148 PolarHBondContact OD1-NZ 3.4Å; D129-K148 IonicContact OD2-NZ 3.51Å; D129-K148 PolarHBondContact OD2-NZ 2.82Å
130	E	96.1	Very high	94.2	Very high	127 Å²	127	62.8 Å²	62.8	59%	0.593	35%	0.345	S	S	*	.	H	α-helix	trans	-59.4	-47.5	179.8	-175.4	174.9	178	0	0	110.8	N126 F127 I132 N133 N134	N126-E130 PolarHBondContact O-N 2.81Å; F127-E130 PolarHBondContact O-N 3.1Å; E130-I132 PolarHBondContact O-N 2.89Å; E130-N133 PolarHBondContact O-N 2.55Å; E130-N134 WeakPolarHBondContact O-CB 3.42Å; E130-N134 PolarHBondContact O-N 2.83Å; E130-N134 PolarHBondContact O-ND2 3.46Å; E130-N134 VanDerWaalsContact O-ND2 3.16Å
131	L	95.4	Very high	94.3	Very high	23 Å²	23	62.4 Å²	62.4	12%	0.12	34%	0.336	C	S	.	.	H	α-helix	trans	-57.3	-49.6	177.7	176.9	64.5	0	0	0	112.3	L56 T57 I66 F127 D129 N134 G135	L56-L131 HydrophobicContact CB-CD2 4.21Å; L56-L131 HydrophobicContact CB-CG 4.47Å; L56-L131 HydrophobicContact CD1-CD2 4.26Å; T57-L131 HydrophobicContact CG2-CD1 3.53Å; I66-L131 HydrophobicContact CD1-CD2 4Å; I66-L131 HydrophobicContact CG2-CD2 3.6Å; F127-L131 HydrophobicContact CE1-CD2 4.41Å; F127-L131 HydrophobicContact CZ-CD2 4.45Å; F127-L131 WeakPolarHBondContact O-CB 3.45Å; F127-L131 PolarHBondContact O-N 3.21Å; D129-L131 VanDerWaalsContact C-N 3.33Å; D129-L131 PolarHBondContact O-N 2.81Å; L131-N134 PolarHBondContact O-N 2.92Å; L131-G135 PolarHBondContact O-N 2.91Å
132	I	95.3	Very high	94.4	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-73.5	-36.2	-174.9	-69	163.4	0	0	0	111.1	L78 L128 D129 E130 N134 G135 L140 K141	L78-I132 HydrophobicContact CD1-CD1 3.64Å; L78-I132 HydrophobicContact CD1-CG1 4.27Å; L128-I132 HydrophobicContact CB-CD1 4.5Å; L128-I132 VanDerWaalsContact O-CB 3.28Å; L128-I132 WeakPolarHBondContact O-CB 3.48Å; L128-I132 VanDerWaalsContact O-CD1 3.3Å; L128-I132 WeakPolarHBondContact O-CD1 3.4Å; L128-I132 WeakPolarHBondContact O-CG1 3.36Å; L128-I132 PolarHBondContact O-N 2.9Å; D129-I132 PolarHBondContact O-N 3Å; E130-I132 PolarHBondContact O-N 2.89Å; I132-N134 VanDerWaalsContact C-N 3.32Å; I132-N134 PolarHBondContact O-N 3.1Å; I132-G135 PolarHBondContact O-N 2.89Å; I132-G135 VanDerWaalsContact O-N 3.16Å; I132-L140 HydrophobicContact CG1-CD2 4.13Å; I132-L140 HydrophobicContact CG2-CD2 4.29Å; I132-L140 HydrophobicContact CG2-CG 4.11Å; I132-K141 HydrophobicContact CG2-CB 4.45Å; I132-K141 HydrophobicContact CG2-CG 3.77Å; I132-K141 WeakPolarHBondContact O-CE 3.46Å
133	N	94.4	Very high	94.4	Very high	97 Å²	97	63.3 Å²	63.3	52%	0.519	34%	0.341	S	S	.	.	H	α-helix	trans	-65.7	-36.4	176.9	-72.6	-24.8	0	0	0	112.1	D129 E130 G135 K141	D129-N133 WeakPolarHBondContact O-CB 3.25Å; D129-N133 PolarHBondContact O-N 2.83Å; D129-N133 PolarHBondContact O-ND2 2.88Å; D129-N133 VanDerWaalsContact O-ND2 3.08Å; E130-N133 PolarHBondContact O-N 2.55Å; N133-G135 VanDerWaalsContact C-N 3.27Å; N133-G135 PolarHBondContact O-N 2.7Å; N133-K141 WeakPolarHBondContact O-CE 3.43Å; N133-K141 PolarHBondContact O-NZ 2.82Å
134	N	92.8	Very high	94.3	Very high	124 Å²	124	58.6 Å²	58.6	66%	0.663	31%	0.314	S	S	*	.	H	α-helix	trans	-75.2	-14.9	175.2	-69.6	-23.7	0	0	0	113.3	E130 L131 I132	E130-N134 WeakPolarHBondContact O-CB 3.42Å; E130-N134 PolarHBondContact O-N 2.83Å; E130-N134 PolarHBondContact O-ND2 3.46Å; E130-N134 VanDerWaalsContact O-ND2 3.16Å; L131-N134 PolarHBondContact O-N 2.92Å; I132-N134 VanDerWaalsContact C-N 3.32Å; I132-N134 PolarHBondContact O-N 3.1Å
135	G	89.6	Confident	94.3	Very high	22 Å²	22	62 Å²	62	23%	0.227	33%	0.331	C	S	.	.	S	Bend	trans	-77.7	167.3	174.3	0	0	0	0	0	113.6	L131 I132 N133 K141	L131-G135 PolarHBondContact O-N 2.91Å; I132-G135 PolarHBondContact O-N 2.89Å; I132-G135 VanDerWaalsContact O-N 3.16Å; N133-G135 VanDerWaalsContact C-N 3.27Å; N133-G135 PolarHBondContact O-N 2.7Å; G135-K141 WeakPolarHBondContact O-CE 3.35Å; G135-K141 PolarHBondContact O-NZ 3.41Å
136	C	87.2	Confident	94.2	Very high	131 Å²	131	66.1 Å²	66.1	89%	0.885	35%	0.35	S	S	*	.	S	Bend	trans	-99.6	14	179.9	-58.2	0	0	0	0	114.1
137	N	92.2	Very high	94	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.251	33%	0.331	S	S	.	.			trans	-102.5	95.1	-176.6	-166.7	-56.7	0	0	0	111.5	I54 L139 L140 K141	I54-N137 VanDerWaalsContact CD1-ND2 3.32Å; I54-N137 WeakPolarHBondContact CD1-ND2 3.46Å; I54-N137 WeakPolarHBondContact CG1-ND2 3.37Å; I54-N137 HydrophobicContact CG2-CB 4.2Å; N137-L139 VanDerWaalsContact C-N 3.33Å; N137-L139 PolarHBondContact O-N 3.37Å; N137-L139 WeakPolarHBondContact OD1-CB 3.44Å; N137-L139 PolarHBondContact OD1-N 2.97Å; N137-L140 HydrophobicContact CB-CB 4.06Å; N137-L140 PolarHBondContact O-N 3.48Å; N137-L140 WeakPolarHBondContact OD1-CB 3.19Å; N137-L140 PolarHBondContact OD1-N 2.95Å; N137-K141 WeakPolarHBondContact O-CG 3.45Å; N137-K141 PolarHBondContact O-N 3.16Å; N137-K141 VanDerWaalsContact O-N 3.1Å
138	D	92.4	Very high	93.9	Very high	101 Å²	101	61.5 Å²	61.5	54%	0.54	33%	0.325	S	S	.	.	H	α-helix	trans	-68.8	-30.3	-177.2	-65	-33.5	0	0	0	113.1	L140 K141 N142	D138-L140 VanDerWaalsContact C-N 3.34Å; D138-L140 PolarHBondContact O-N 3.43Å; D138-K141 PolarHBondContact O-N 3.4Å; D138-K141 IonicContact OD1-NZ 3.71Å; D138-N142 WeakPolarHBondContact O-CB 3.34Å; D138-N142 PolarHBondContact O-N 2.98Å; D138-N142 PolarHBondContact O-ND2 2.82Å
139	L	92.8	Very high	93.7	Very high	113 Å²	113	66.6 Å²	66.6	59%	0.592	35%	0.352	S	S	*	.	H	α-helix	trans	-60.9	-45.7	173.6	-68.9	172.2	0	0	0	110.7	I49 N137 N142 Q143	I49-L139 HydrophobicContact CD1-CB 4.05Å; I49-L139 WeakPolarHBondContact CD1-O 3.48Å; N137-L139 VanDerWaalsContact C-N 3.33Å; N137-L139 PolarHBondContact O-N 3.37Å; N137-L139 WeakPolarHBondContact OD1-CB 3.44Å; N137-L139 PolarHBondContact OD1-N 2.97Å; L139-N142 PolarHBondContact O-N 3.48Å; L139-Q143 WeakPolarHBondContact O-CB 3.45Å; L139-Q143 PolarHBondContact O-N 3.26Å
140	L	94.1	Very high	93.5	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.037	36%	0.359	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.2	-176.4	64.7	0	0	0	111.9	I49 I54 L56 I132 N137 D138 R144	I49-L140 HydrophobicContact CD1-CB 4.46Å; I49-L140 HydrophobicContact CG2-CD1 4.43Å; I54-L140 HydrophobicContact CD1-CB 4.38Å; I54-L140 HydrophobicContact CG2-CD2 4.19Å; L56-L140 HydrophobicContact CD2-CD2 3.48Å; L56-L140 VanDerWaalsContact CD2-CD2 3.48Å; I132-L140 HydrophobicContact CG1-CD2 4.13Å; I132-L140 HydrophobicContact CG2-CD2 4.29Å; I132-L140 HydrophobicContact CG2-CG 4.11Å; N137-L140 HydrophobicContact CB-CB 4.06Å; N137-L140 PolarHBondContact O-N 3.48Å; N137-L140 WeakPolarHBondContact OD1-CB 3.19Å; N137-L140 PolarHBondContact OD1-N 2.95Å; D138-L140 VanDerWaalsContact C-N 3.34Å; D138-L140 PolarHBondContact O-N 3.43Å; L140-R144 WeakPolarHBondContact O-CB 3.34Å; L140-R144 PolarHBondContact O-N 2.85Å
141	K	94.8	Very high	92.9	Very high	44 Å²	44	68.9 Å²	68.9	19%	0.191	36%	0.36	C	S	.	.	H	α-helix	trans	-58.8	-49.6	173.7	-69.6	174.5	-171.2	174.9	0	111.1	I132 N133 G135 N137 D138 R144 I145	I132-K141 HydrophobicContact CG2-CB 4.45Å; I132-K141 HydrophobicContact CG2-CG 3.77Å; I132-K141 WeakPolarHBondContact O-CE 3.46Å; N133-K141 WeakPolarHBondContact O-CE 3.43Å; N133-K141 PolarHBondContact O-NZ 2.82Å; G135-K141 WeakPolarHBondContact O-CE 3.35Å; G135-K141 PolarHBondContact O-NZ 3.41Å; N137-K141 WeakPolarHBondContact O-CG 3.45Å; N137-K141 PolarHBondContact O-N 3.16Å; N137-K141 VanDerWaalsContact O-N 3.1Å; D138-K141 PolarHBondContact O-N 3.4Å; D138-K141 IonicContact OD1-NZ 3.71Å; K141-R144 PolarHBondContact O-N 3.08Å; K141-I145 WeakPolarHBondContact O-CG1 3.46Å; K141-I145 PolarHBondContact O-N 3.36Å
142	N	94.3	Very high	92.3	Very high	100 Å²	100	71.8 Å²	71.8	54%	0.535	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-45.1	-179.9	-70.6	-25.2	0	0	0	111.9	D138 L139 R144 I145 Q146	D138-N142 WeakPolarHBondContact O-CB 3.34Å; D138-N142 PolarHBondContact O-N 2.98Å; D138-N142 PolarHBondContact O-ND2 2.82Å; L139-N142 PolarHBondContact O-N 3.48Å; N142-R144 VanDerWaalsContact C-N 3.31Å; N142-R144 PolarHBondContact O-N 3.42Å; N142-I145 PolarHBondContact O-N 2.84Å; N142-Q146 WeakPolarHBondContact O-CB 3.45Å; N142-Q146 PolarHBondContact O-N 3.43Å
143	Q	94.1	Very high	91.5	Very high	31 Å²	31	71.5 Å²	71.5	15%	0.145	37%	0.373	C	S	.	.	H	α-helix	trans	-59.1	-43.6	175.7	-169	-159	42.3	0	0	110.8	I49 N77 L139 I145 Q146 R147	I49-Q143 HydrophobicContact CD1-CB 3.62Å; I49-Q143 HydrophobicContact CD1-CG 4.04Å; N77-Q143 PolarHBondContact OD1-NE2 2.72Å; L139-Q143 WeakPolarHBondContact O-CB 3.45Å; L139-Q143 PolarHBondContact O-N 3.26Å; Q143-I145 PolarHBondContact O-N 2.86Å; Q143-Q146 PolarHBondContact O-N 3.49Å; Q143-R147 VanDerWaalsContact O-CG 3.27Å; Q143-R147 WeakPolarHBondContact O-CG 3.45Å; Q143-R147 PolarHBondContact O-N 3.25Å
144	R	95	Very high	90.6	Very high	16 Å²	16	71.8 Å²	71.8	6%	0.06	37%	0.37	C	S	.	.	H	α-helix	trans	-61.4	-45.1	176.8	179.5	166.8	-174.7	78.8	4.9	112.2	L79 D125 D129 L140 K141 N142 R147 K148	L79-R144 PolarHBondContact O-NH1 2.89Å; D125-R144 PolarHBondContact O-NH2 2.94Å; D129-R144 IonicContact OD1-CZ 3.2Å; D129-R144 IonicContact OD1-NE 3.63Å; D129-R144 PolarHBondContact OD1-NE 3.43Å; D129-R144 IonicContact OD1-NH2 2.88Å; D129-R144 PolarHBondContact OD1-NH2 3.02Å; L140-R144 WeakPolarHBondContact O-CB 3.34Å; L140-R144 PolarHBondContact O-N 2.85Å; K141-R144 PolarHBondContact O-N 3.08Å; N142-R144 VanDerWaalsContact C-N 3.31Å; N142-R144 PolarHBondContact O-N 3.42Å; R144-R147 PolarHBondContact O-N 3.46Å; R144-K148 WeakPolarHBondContact O-CB 3.36Å; R144-K148 WeakPolarHBondContact O-CG 3.22Å; R144-K148 PolarHBondContact O-N 3.2Å
145	I	94.6	Very high	89.6	Confident	92 Å²	92	71.6 Å²	71.6	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-46	176.8	-67.4	164.9	0	0	0	110.5	K141 N142 Q143 R147 K148 N149	K141-I145 WeakPolarHBondContact O-CG1 3.46Å; K141-I145 PolarHBondContact O-N 3.36Å; N142-I145 PolarHBondContact O-N 2.84Å; Q143-I145 PolarHBondContact O-N 2.86Å; I145-R147 PolarHBondContact O-N 3.48Å; I145-K148 PolarHBondContact O-N 3.34Å; I145-N149 PolarHBondContact O-N 3.5Å; I145-N149 VanDerWaalsContact O-N 3.12Å; I145-N149 PolarHBondContact O-ND2 2.92Å; I145-N149 VanDerWaalsContact O-ND2 3.17Å
146	Q	94.6	Very high	88.8	Confident	98 Å²	98	72.1 Å²	72.1	46%	0.458	37%	0.366	S	S	.	.	H	α-helix	trans	-55.6	-50.8	176.5	-179.7	-175.2	-1.8	0	0	110.9	N46 N142 Q143 K148 N149 E150	N46-Q146 PolarHBondContact OD1-NE2 2.88Å; N46-Q146 VanDerWaalsContact OD1-NE2 3.1Å; N142-Q146 WeakPolarHBondContact O-CB 3.45Å; N142-Q146 PolarHBondContact O-N 3.43Å; Q143-Q146 PolarHBondContact O-N 3.49Å; Q146-K148 VanDerWaalsContact C-N 3.33Å; Q146-K148 PolarHBondContact O-N 3.44Å; Q146-N149 PolarHBondContact O-N 2.65Å; Q146-N149 VanDerWaalsContact O-N 3.12Å; Q146-E150 PolarHBondContact O-N 3.26Å
147	R	94.5	Very high	88.1	Confident	24 Å²	24	69 Å²	69	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-30.3	-178.9	-62.8	-178.3	69.9	-145.5	-5	113.1	C75 L78 V80 C92 Q143 R144 I145 N149 E150	C75-R147 PolarHBondContact SG-NH2 2.88Å; L78-R147 PolarHBondContact O-NH1 3.12Å; V80-R147 HydrophobicContact CG1-CB 3.84Å; V80-R147 HydrophobicContact CG2-CB 4.27Å; C92-R147 PolarHBondContact SG-NH2 3.47Å; Q143-R147 VanDerWaalsContact O-CG 3.27Å; Q143-R147 WeakPolarHBondContact O-CG 3.45Å; Q143-R147 PolarHBondContact O-N 3.25Å; R144-R147 PolarHBondContact O-N 3.46Å; I145-R147 PolarHBondContact O-N 3.48Å; R147-N149 VanDerWaalsContact C-N 3.28Å; R147-N149 PolarHBondContact O-N 3.42Å; R147-E150 WeakPolarHBondContact O-CB 3.45Å; R147-E150 PolarHBondContact O-N 2.99Å
148	K	93.9	Very high	86.7	Confident	57 Å²	57	72.2 Å²	72.2	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-64.9	-33.4	172.1	-82.7	-169.5	161.2	-164.5	0	113	V80 N81 D129 R144 I145 Q146 E150	V80-K148 HydrophobicContact CG2-CB 4.09Å; V80-K148 HydrophobicContact CG2-CD 4.36Å; V80-K148 HydrophobicContact CG2-CG 3.19Å; N81-K148 PolarHBondContact ND2-O 3.36Å; D129-K148 WeakPolarHBondContact OD1-CE 3.36Å; D129-K148 IonicContact OD1-NZ 2.81Å; D129-K148 PolarHBondContact OD1-NZ 3.4Å; D129-K148 IonicContact OD2-NZ 3.51Å; D129-K148 PolarHBondContact OD2-NZ 2.82Å; R144-K148 WeakPolarHBondContact O-CB 3.36Å; R144-K148 WeakPolarHBondContact O-CG 3.22Å; R144-K148 PolarHBondContact O-N 3.2Å; I145-K148 PolarHBondContact O-N 3.34Å; Q146-K148 VanDerWaalsContact C-N 3.33Å; Q146-K148 PolarHBondContact O-N 3.44Å; K148-E150 VanDerWaalsContact C-N 3.29Å
149	N	93.2	Very high	85	Confident	106 Å²	106	73 Å²	73	57%	0.567	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.8	-177.4	-72.4	-31.3	0	0	0	113.8	I145 Q146 R147 K151	I145-N149 PolarHBondContact O-N 3.5Å; I145-N149 VanDerWaalsContact O-N 3.12Å; I145-N149 PolarHBondContact O-ND2 2.92Å; I145-N149 VanDerWaalsContact O-ND2 3.17Å; Q146-N149 PolarHBondContact O-N 2.65Å; Q146-N149 VanDerWaalsContact O-N 3.12Å; R147-N149 VanDerWaalsContact C-N 3.28Å; R147-N149 PolarHBondContact O-N 3.42Å; N149-K151 WeakPolarHBondContact O-CG 3.32Å; N149-K151 PolarHBondContact O-N 3.22Å
150	E	91.9	Very high	83.1	Confident	67 Å²	67	76.2 Å²	76.2	31%	0.313	36%	0.363	S	S	.	.			trans	-58.5	132.8	171.5	-66.3	169.5	-172.5	0	0	110.3	R93 E94 Q146 R147 K148	R93-E150 PolarHBondContact NH2-O 3.33Å; E94-E150 WeakPolarHBondContact CB-OE2 3.21Å; E94-E150 HydrophobicContact CG-CB 3.6Å; E94-E150 WeakPolarHBondContact CG-OE2 3.39Å; Q146-E150 PolarHBondContact O-N 3.26Å; R147-E150 WeakPolarHBondContact O-CB 3.45Å; R147-E150 PolarHBondContact O-N 2.99Å; K148-E150 VanDerWaalsContact C-N 3.29Å
151	K	84.6	Confident	81	Confident	141 Å²	141	80.9 Å²	80.9	61%	0.613	38%	0.381	S	S	*	.			trans	-120.3	-4.2	-169.5	-57.1	-171.1	177.1	168.2	0	114.4	E94 N149 S153 K154	E94-K151 PolarHBondContact OE1-N 3.01Å; N149-K151 WeakPolarHBondContact O-CG 3.32Å; N149-K151 PolarHBondContact O-N 3.22Å; K151-S153 PolarHBondContact O-N 3.48Å; K151-K154 HydrophobicContact CB-CD 3.99Å; K151-K154 HydrophobicContact CB-CG 4.29Å; K151-K154 HydrophobicContact CG-CD 4.44Å; K151-K154 WeakPolarHBondContact O-CB 3.32Å; K151-K154 VanDerWaalsContact O-CG 3.31Å; K151-K154 WeakPolarHBondContact O-CG 3.33Å; K151-K154 PolarHBondContact O-N 2.97Å
152	L	81.5	Confident	78.9	Confident	83 Å²	83	85.2 Å²	85.2	44%	0.435	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-66.7	-33.6	-170.4	-172.5	69.9	0	0	0	111.2	E94 Y97 Y98 K154	E94-L152 PolarHBondContact OE1-N 3Å; E94-L152 WeakPolarHBondContact OE2-CB 3.4Å; Y97-L152 HydrophobicContact CD1-CD2 4.21Å; Y97-L152 HydrophobicContact CD1-CG 4.21Å; Y97-L152 HydrophobicContact CE1-CB 4.42Å; Y97-L152 HydrophobicContact CE1-CD2 3.6Å; Y97-L152 HydrophobicContact CE1-CG 3.52Å; Y98-L152 HydrophobicContact CD1-CD2 4.45Å; Y98-L152 HydrophobicContact CE1-CD2 3.42Å; Y98-L152 VanDerWaalsContact CE1-CD2 3.42Å; Y98-L152 HydrophobicContact CE2-CD2 4.27Å; Y98-L152 WeakPolarHBondContact OH-CD2 3.17Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 2.91Å
153	S	79.9	Confident	76.9	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-88.5	12.4	179.7	71.8	0	0	0	0	114.5	R93 E94 K151 L155 L156	R93-S153 WeakPolarHBondContact CD-OG 3.43Å; R93-S153 WeakPolarHBondContact CG-OG 3.47Å; R93-S153 PolarHBondContact NE-OG 2.95Å; E94-S153 VanDerWaalsContact CD-N 3.28Å; E94-S153 PolarHBondContact OE1-N 2.96Å; E94-S153 PolarHBondContact OE1-OG 3.47Å; E94-S153 VanDerWaalsContact OE2-CB 3.23Å; E94-S153 WeakPolarHBondContact OE2-CB 3.33Å; E94-S153 PolarHBondContact OE2-N 2.96Å; E94-S153 PolarHBondContact OE2-OG 3.41Å; K151-S153 PolarHBondContact O-N 3.48Å; S153-L155 PolarHBondContact O-N 2.75Å; S153-L155 VanDerWaalsContact O-N 3.09Å; S153-L156 WeakPolarHBondContact O-CB 3.1Å; S153-L156 PolarHBondContact O-N 2.79Å
154	K	74.6	Confident	75	Confident	104 Å²	104	88.8 Å²	88.8	45%	0.452	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-55.6	-27.9	-179.9	-81.9	-177.5	174.4	-164.7	0	113	K151 L152 L156 D157	K151-K154 HydrophobicContact CB-CD 3.99Å; K151-K154 HydrophobicContact CB-CG 4.29Å; K151-K154 HydrophobicContact CG-CD 4.44Å; K151-K154 WeakPolarHBondContact O-CB 3.32Å; K151-K154 VanDerWaalsContact O-CG 3.31Å; K151-K154 WeakPolarHBondContact O-CG 3.33Å; K151-K154 PolarHBondContact O-N 2.97Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 2.91Å; K154-L156 PolarHBondContact O-N 3.49Å; K154-D157 WeakPolarHBondContact O-CA 3.41Å; K154-D157 VanDerWaalsContact O-CB 3.3Å; K154-D157 WeakPolarHBondContact O-CB 3.34Å; K154-D157 PolarHBondContact O-N 2.82Å
155	L	71.9	Confident	73.3	Confident	119 Å²	119	92.1 Å²	92.1	62%	0.623	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-60.6	-25	174.5	-62	176.7	0	0	0	113.5	S153 D157 D158	S153-L155 PolarHBondContact O-N 2.75Å; S153-L155 VanDerWaalsContact O-N 3.09Å; L155-D157 PolarHBondContact O-N 3.42Å; L155-D158 PolarHBondContact O-N 3.07Å
156	L	72.6	Confident	72	Confident	33 Å²	33	93.3 Å²	93.3	17%	0.173	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-70.1	-20.5	172.1	-66.9	-173.6	0	0	0	112.6	R93 Y97 F100 Y115 S153 K154	R93-L156 HydrophobicContact CG-CB 4.41Å; R93-L156 HydrophobicContact CG-CD1 4.24Å; Y97-L156 HydrophobicContact CD2-CD1 4.49Å; Y97-L156 HydrophobicContact CD2-CD2 4.5Å; Y97-L156 HydrophobicContact CD2-CG 4.12Å; F100-L156 HydrophobicContact CD2-CD1 4.38Å; F100-L156 HydrophobicContact CD2-CD2 4.11Å; F100-L156 HydrophobicContact CE2-CD1 4.49Å; F100-L156 HydrophobicContact CE2-CD2 4.35Å; Y115-L156 HydrophobicContact CD1-CD2 4.4Å; S153-L156 WeakPolarHBondContact O-CB 3.1Å; S153-L156 PolarHBondContact O-N 2.79Å; K154-L156 PolarHBondContact O-N 3.49Å
157	D	72.5	Confident	71.2	Confident	65 Å²	65	96.1 Å²	96.1	35%	0.348	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-21.7	-179.7	-59.3	-20.7	0	0	0	111.7	R83 R93 K154 L155 Y159	R83-D157 IonicContact CZ-OD1 3.49Å; R83-D157 IonicContact NE-OD1 3.52Å; R83-D157 IonicContact NH2-OD1 2.65Å; R83-D157 PolarHBondContact NH2-OD1 3.28Å; R83-D157 IonicContact NH2-OD2 2.7Å; R93-D157 WeakPolarHBondContact CD-OD1 3.32Å; R93-D157 WeakPolarHBondContact CD-OD2 3.21Å; R93-D157 IonicContact CZ-OD2 3.76Å; R93-D157 IonicContact NE-OD2 2.55Å; R93-D157 IonicContact NH1-OD1 2.69Å; R93-D157 IonicContact NH1-OD2 3.97Å; R93-D157 PolarHBondContact NH1-OD2 3.16Å; K154-D157 WeakPolarHBondContact O-CA 3.41Å; K154-D157 VanDerWaalsContact O-CB 3.3Å; K154-D157 WeakPolarHBondContact O-CB 3.34Å; K154-D157 PolarHBondContact O-N 2.82Å; L155-D157 PolarHBondContact O-N 3.42Å; D157-Y159 VanDerWaalsContact C-N 3.27Å; D157-Y159 PolarHBondContact O-N 3.14Å
158	D	63.3	Low	70.4	Confident	116 Å²	116	97.7 Å²	97.7	62%	0.62	48%	0.477	S	S	*	.			trans	-78.4	-11.3	-178.2	-66.8	-31.3	0	0	0	113.2	L155 K160	L155-D158 PolarHBondContact O-N 3.07Å; D158-K160 PolarHBondContact O-N 2.92Å
159	Y	57.4	Low	69.6	Low	116 Å²	116	99.2 Å²	99.2	46%	0.455	49%	0.487	S	S	.	.	S	Bend	trans	-73.5	83.1	175.7	-147.5	-74.7	0	0	0	109.8	H116 D157 Y161	H116-Y159 HydrophobicContact CB-CD1 4.19Å; H116-Y159 HydrophobicContact CB-CE1 3.83Å; H116-Y159 AromaticContact CD2-CE1 3.21Å; H116-Y159 WeakPolarHBondContact CD2-CE1 3.3Å; H116-Y159 AromaticContact CD2-CZ 3.22Å; H116-Y159 PolarHBondContact CD2-OH 3.47Å; H116-Y159 AromaticContact CE1-CE1 3.54Å; H116-Y159 AromaticContact CE1-CZ 3.39Å; H116-Y159 PolarHBondContact CE1-OH 3.07Å; H116-Y159 AromaticContact CG-CD1 3.92Å; H116-Y159 AromaticContact CG-CE1 3.12Å; H116-Y159 AromaticContact CG-CZ 3.63Å; H116-Y159 AromaticContact ND1-CE1 3.32Å; H116-Y159 VanDerWaalsContact ND1-CE1 3.32Å; H116-Y159 WeakPolarHBondContact ND1-CE1 3.5Å; H116-Y159 AromaticContact ND1-CZ 3.7Å; H116-Y159 PolarHBondContact ND1-OH 3.24Å; H116-Y159 AromaticContact NE2-CE1 3.53Å; H116-Y159 AromaticContact NE2-CE2 3.98Å; H116-Y159 AromaticContact NE2-CZ 3.11Å; H116-Y159 PolarHBondContact NE2-OH 3.02Å; D157-Y159 VanDerWaalsContact C-N 3.27Å; D157-Y159 PolarHBondContact O-N 3.14Å; Y159-Y161 PolarHBondContact O-N 2.83Å
160	K	51.6	Low	69	Low	182 Å²	182	97.3 Å²	97.3	79%	0.791	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-58	126.9	178.1	-73.9	-178.2	177.9	179.6	0	109.6	D158 D162	D158-K160 PolarHBondContact O-N 2.92Å; K160-D162 PolarHBondContact O-N 3.3Å; K160-D162 VanDerWaalsContact O-N 3.16Å
161	Y	49.3	Very low	68.7	Low	104 Å²	104	97.5 Å²	97.5	41%	0.408	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-52.1	117.7	169.4	-155.4	-109.8	0	0	0	108.9	Y159 T163 M164	Y159-Y161 PolarHBondContact O-N 2.83Å; Y161-T163 PolarHBondContact O-N 3.04Å; Y161-M164 HydrophobicContact CE1-CB 3.69Å; Y161-M164 HydrophobicContact CE1-CG 3.48Å; Y161-M164 VanDerWaalsContact CE1-CG 3.48Å; Y161-M164 HydrophobicContact CE1-SD 4.08Å; Y161-M164 WeakPolarHBondContact OH-CG 3.14Å; Y161-M164 PolarHBondContact OH-SD 2.84Å
162	D	51.5	Low	68.7	Low	135 Å²	135	94.1 Å²	94.1	72%	0.722	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-57.3	116.1	158.5	-101.9	-29.2	0	0	0	105.2	K160 M164	K160-D162 PolarHBondContact O-N 3.3Å; K160-D162 VanDerWaalsContact O-N 3.16Å; D162-M164 PolarHBondContact O-N 2.89Å
163	T	51.6	Low	68.9	Low	127 Å²	127	94.5 Å²	94.5	78%	0.779	48%	0.482	S	S	*	.			trans	-46.9	104.9	-173.3	47.9	0	0	0	0	109.6	Y161 N165	Y161-T163 PolarHBondContact O-N 3.04Å; T163-N165 PolarHBondContact O-N 2.75Å
164	M	55	Low	69.4	Low	80 Å²	80	98.2 Å²	98.2	39%	0.394	51%	0.505	S	S	.	.			trans	-53.9	129.1	152.7	-79	-175.8	104.4	0	0	105.3	Y161 D162 T166 D168 I169	Y161-M164 HydrophobicContact CE1-CB 3.69Å; Y161-M164 HydrophobicContact CE1-CG 3.48Å; Y161-M164 VanDerWaalsContact CE1-CG 3.48Å; Y161-M164 HydrophobicContact CE1-SD 4.08Å; Y161-M164 WeakPolarHBondContact OH-CG 3.14Å; Y161-M164 PolarHBondContact OH-SD 2.84Å; D162-M164 PolarHBondContact O-N 2.89Å; M164-T166 PolarHBondContact O-N 3.49Å; M164-D168 HydrophobicContact CB-CB 4.49Å; M164-D168 HydrophobicContact CE-CB 4.05Å; M164-I169 HydrophobicContact CB-CD1 4.5Å; M164-I169 HydrophobicContact CB-CG1 4.17Å
165	N	58.8	Low	70	Confident	85 Å²	85	98.7 Å²	98.7	46%	0.455	51%	0.509	S	S	.	.			trans	-51	136.5	177.2	-176.1	-8.8	0	0	0	107.4	T163 R167 D168 I169	T163-N165 PolarHBondContact O-N 2.75Å; N165-R167 HydrophobicContact CB-CB 4.48Å; N165-R167 CarbonylContact O-C 3.53Å; N165-R167 PolarHBondContact O-N 3.07Å; N165-R167 PolarHBondContact OD1-N 3.28Å; N165-D168 PolarHBondContact O-N 3.36Å; N165-I169 PolarHBondContact O-N 2.93Å
166	T	68.8	Low	70.7	Confident	117 Å²	117	96.3 Å²	96.3	72%	0.718	50%	0.499	S	S	*	.	H	α-helix	trans	-49.6	-29.6	177	49.2	0	0	0	0	111.6	M164 S170	M164-T166 PolarHBondContact O-N 3.49Å; T166-S170 WeakPolarHBondContact O-CB 3.41Å; T166-S170 PolarHBondContact O-N 3.3Å
167	R	77.1	Confident	71.6	Confident	157 Å²	157	102.3 Å²	102.3	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-58.8	-44.9	171.3	-161.9	-179.2	86.2	131.1	2.4	113.9	N165 S170 N171	N165-R167 HydrophobicContact CB-CB 4.48Å; N165-R167 CarbonylContact O-C 3.53Å; N165-R167 PolarHBondContact O-N 3.07Å; N165-R167 PolarHBondContact OD1-N 3.28Å; R167-S170 PolarHBondContact O-N 3.33Å; R167-N171 WeakPolarHBondContact O-CB 3.37Å; R167-N171 PolarHBondContact O-N 3.05Å; R167-N171 PolarHBondContact O-ND2 2.93Å; R167-N171 PolarHBondContact O-OD1 3.39Å
168	D	78	Confident	72.6	Confident	57 Å²	57	103.2 Å²	103.2	31%	0.305	53%	0.528	S	S	.	.	H	α-helix	trans	-69.6	-40.4	-176.3	-59.6	-28.2	0	0	0	110.4	M164 N165 N171 T172	M164-D168 HydrophobicContact CB-CB 4.49Å; M164-D168 HydrophobicContact CE-CB 4.05Å; N165-D168 PolarHBondContact O-N 3.36Å; D168-N171 PolarHBondContact O-N 3.49Å; D168-T172 PolarHBondContact O-N 3.45Å; D168-T172 PolarHBondContact O-OG1 3.06Å
169	I	77	Confident	73.7	Confident	89 Å²	89	104 Å²	104	46%	0.456	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-47.7	173.5	-60.4	173.9	0	0	0	110.2	M164 N165 N171 T172 V173	M164-I169 HydrophobicContact CB-CD1 4.5Å; M164-I169 HydrophobicContact CB-CG1 4.17Å; N165-I169 PolarHBondContact O-N 2.93Å; I169-N171 VanDerWaalsContact C-N 3.32Å; I169-N171 PolarHBondContact O-N 3.22Å; I169-T172 PolarHBondContact O-N 3.35Å; I169-V173 HydrophobicContact CG2-CG2 4.35Å; I169-V173 WeakPolarHBondContact O-CG2 3.24Å; I169-V173 PolarHBondContact O-N 3.22Å
170	S	79.7	Confident	75.2	Confident	67 Å²	67	102 Å²	102	47%	0.469	53%	0.528	S	S	.	.	H	α-helix	trans	-57.4	-46.4	177.7	-172.3	0	0	0	0	111.4	T166 R167 V173 T174	T166-S170 WeakPolarHBondContact O-CB 3.41Å; T166-S170 PolarHBondContact O-N 3.3Å; R167-S170 PolarHBondContact O-N 3.33Å; S170-V173 PolarHBondContact O-N 3.28Å; S170-T174 PolarHBondContact O-N 3.17Å; S170-T174 PolarHBondContact O-OG1 3.32Å
171	N	86	Confident	77	Confident	70 Å²	70	95.7 Å²	95.7	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-46.4	178.4	-69.9	-13.1	0	0	0	111.3	R167 D168 I169 V173 T174 E175	R167-N171 WeakPolarHBondContact O-CB 3.37Å; R167-N171 PolarHBondContact O-N 3.05Å; R167-N171 PolarHBondContact O-ND2 2.93Å; R167-N171 PolarHBondContact O-OD1 3.39Å; D168-N171 PolarHBondContact O-N 3.49Å; I169-N171 VanDerWaalsContact C-N 3.32Å; I169-N171 PolarHBondContact O-N 3.22Å; N171-V173 PolarHBondContact O-N 2.92Å; N171-T174 PolarHBondContact O-N 3.41Å; N171-E175 WeakPolarHBondContact O-CB 3.32Å; N171-E175 WeakPolarHBondContact O-CG 3.33Å; N171-E175 PolarHBondContact O-N 2.92Å
172	T	84.1	Confident	78.9	Confident	71 Å²	71	93.4 Å²	93.4	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-43.3	177.8	-58.3	0	0	0	0	112	D168 I169 E175 T176	D168-T172 PolarHBondContact O-N 3.45Å; D168-T172 PolarHBondContact O-OG1 3.06Å; I169-T172 PolarHBondContact O-N 3.35Å; T172-E175 PolarHBondContact O-N 3.26Å; T172-T176 WeakPolarHBondContact O-CB 3.37Å; T172-T176 PolarHBondContact O-N 3.48Å; T172-T176 PolarHBondContact O-OG1 3.44Å
173	V	86.7	Confident	80.6	Confident	91 Å²	91	94.5 Å²	94.5	55%	0.552	50%	0.502	S	S	*	.	H	α-helix	trans	-63.9	-44.6	177.8	172.5	0	0	0	0	110.7	I169 S170 N171 T176 Y177	I169-V173 HydrophobicContact CG2-CG2 4.35Å; I169-V173 WeakPolarHBondContact O-CG2 3.24Å; I169-V173 PolarHBondContact O-N 3.22Å; S170-V173 PolarHBondContact O-N 3.28Å; N171-V173 PolarHBondContact O-N 2.92Å; V173-T176 PolarHBondContact O-N 3.43Å; V173-Y177 WeakPolarHBondContact O-CB 3.31Å; V173-Y177 PolarHBondContact O-N 2.94Å
174	T	89.2	Confident	82.3	Confident	78 Å²	78	91.8 Å²	91.8	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-62.5	-45.7	176.9	-58	0	0	0	0	111.7	S170 N171 T176 Y177 V178	S170-T174 PolarHBondContact O-N 3.17Å; S170-T174 PolarHBondContact O-OG1 3.32Å; N171-T174 PolarHBondContact O-N 3.41Å; T174-T176 PolarHBondContact O-N 3.43Å; T174-Y177 PolarHBondContact O-N 3.32Å; T174-V178 VanDerWaalsContact O-CG2 3.31Å; T174-V178 WeakPolarHBondContact O-CG2 3.47Å; T174-V178 PolarHBondContact O-N 2.68Å
175	E	88.1	Confident	83.7	Confident	114 Å²	114	92.4 Å²	92.4	53%	0.533	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-44.3	177.6	-75.7	172.8	-174.1	0	0	111.8	N171 T172 Y177 V178 Q179	N171-E175 WeakPolarHBondContact O-CB 3.32Å; N171-E175 WeakPolarHBondContact O-CG 3.33Å; N171-E175 PolarHBondContact O-N 2.92Å; T172-E175 PolarHBondContact O-N 3.26Å; E175-Y177 VanDerWaalsContact C-N 3.34Å; E175-Y177 PolarHBondContact O-N 3.47Å; E175-V178 PolarHBondContact O-N 2.93Å; E175-Q179 WeakPolarHBondContact O-CB 3.45Å; E175-Q179 VanDerWaalsContact O-CG 3.28Å; E175-Q179 WeakPolarHBondContact O-CG 3.35Å; E175-Q179 PolarHBondContact O-N 2.91Å
176	T	86.8	Confident	85	Confident	69 Å²	69	90.8 Å²	90.8	42%	0.423	49%	0.486	S	S	.	.	H	α-helix	trans	-63.9	-41.6	178.4	-51.2	0	0	0	0	111	T172 V173 T174 Q179 T180	T172-T176 WeakPolarHBondContact O-CB 3.37Å; T172-T176 PolarHBondContact O-N 3.48Å; T172-T176 PolarHBondContact O-OG1 3.44Å; V173-T176 PolarHBondContact O-N 3.43Å; T174-T176 PolarHBondContact O-N 3.43Å; T176-Q179 PolarHBondContact O-N 3.18Å; T176-T180 WeakPolarHBondContact O-CB 3.37Å; T176-T180 PolarHBondContact O-N 2.88Å; T176-T180 PolarHBondContact O-OG1 3.21Å
177	Y	91.1	Very high	85.6	Confident	159 Å²	159	87.5 Å²	87.5	62%	0.624	47%	0.466	S	S	*	.	H	α-helix	trans	-60.3	-50.5	175.2	177.7	-101.2	0	0	0	111.1	V173 T174 E175 Q179 T180 T181	V173-Y177 WeakPolarHBondContact O-CB 3.31Å; V173-Y177 PolarHBondContact O-N 2.94Å; T174-Y177 PolarHBondContact O-N 3.32Å; E175-Y177 VanDerWaalsContact C-N 3.34Å; E175-Y177 PolarHBondContact O-N 3.47Å; Y177-Q179 VanDerWaalsContact C-N 3.34Å; Y177-Q179 PolarHBondContact O-N 2.89Å; Y177-T180 PolarHBondContact O-N 3.41Å; Y177-T181 HydrophobicContact CD1-CG2 4.35Å; Y177-T181 HydrophobicContact CD2-CG2 4.34Å; Y177-T181 HydrophobicContact CE1-CG2 3.93Å; Y177-T181 HydrophobicContact CE2-CG2 3.92Å; Y177-T181 WeakPolarHBondContact O-CG2 3.4Å; Y177-T181 PolarHBondContact O-N 2.73Å; Y177-T181 PolarHBondContact O-OG1 3.17Å
178	V	93.1	Very high	85.7	Confident	83 Å²	83	84.9 Å²	84.9	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-59.7	-42.8	179	171.5	0	0	0	0	111.8	T174 E175 T181 A182	T174-V178 VanDerWaalsContact O-CG2 3.31Å; T174-V178 WeakPolarHBondContact O-CG2 3.47Å; T174-V178 PolarHBondContact O-N 2.68Å; E175-V178 PolarHBondContact O-N 2.93Å; V178-T181 WeakPolarHBondContact CA-OG1 3.28Å; V178-T181 PolarHBondContact O-OG1 3.4Å; V178-A182 VanDerWaalsContact O-CB 3.31Å; V178-A182 WeakPolarHBondContact O-CB 3.46Å; V178-A182 PolarHBondContact O-N 3.46Å
179	Q	87.3	Confident	85.5	Confident	132 Å²	132	85.2 Å²	85.2	62%	0.617	47%	0.467	S	S	*	.	H	α-helix	trans	-64.5	-41.6	176.9	-73.6	173.5	2.5	0	0	111.9	E175 T176 Y177 A182 Y183	E175-Q179 WeakPolarHBondContact O-CB 3.45Å; E175-Q179 VanDerWaalsContact O-CG 3.28Å; E175-Q179 WeakPolarHBondContact O-CG 3.35Å; E175-Q179 PolarHBondContact O-N 2.91Å; T176-Q179 PolarHBondContact O-N 3.18Å; Y177-Q179 VanDerWaalsContact C-N 3.34Å; Y177-Q179 PolarHBondContact O-N 2.89Å; Q179-A182 PolarHBondContact O-N 3.47Å; Q179-Y183 WeakPolarHBondContact O-CB 3.34Å; Q179-Y183 PolarHBondContact O-N 2.94Å
180	T	87.7	Confident	85.3	Confident	76 Å²	76	85.3 Å²	85.3	47%	0.466	47%	0.469	S	S	.	.	H	α-helix	trans	-67.4	-44.1	180	-55.1	0	0	0	0	110.8	T176 Y177 Y183 V184	T176-T180 WeakPolarHBondContact O-CB 3.37Å; T176-T180 PolarHBondContact O-N 2.88Å; T176-T180 PolarHBondContact O-OG1 3.21Å; Y177-T180 PolarHBondContact O-N 3.41Å; T180-Y183 PolarHBondContact O-N 2.95Å; T180-V184 WeakPolarHBondContact O-CG2 3.48Å; T180-V184 PolarHBondContact O-N 3.3Å
181	T	90.3	Very high	85	Confident	48 Å²	48	86.7 Å²	86.7	29%	0.294	47%	0.474	S	S	.	.	H	α-helix	trans	-63.4	-43.8	176.4	53.3	0	0	0	0	111.3	Y177 V178 Y183 V184 D185	Y177-T181 HydrophobicContact CD1-CG2 4.35Å; Y177-T181 HydrophobicContact CD2-CG2 4.34Å; Y177-T181 HydrophobicContact CE1-CG2 3.93Å; Y177-T181 HydrophobicContact CE2-CG2 3.92Å; Y177-T181 WeakPolarHBondContact O-CG2 3.4Å; Y177-T181 PolarHBondContact O-N 2.73Å; Y177-T181 PolarHBondContact O-OG1 3.17Å; V178-T181 WeakPolarHBondContact CA-OG1 3.28Å; V178-T181 PolarHBondContact O-OG1 3.4Å; T181-Y183 VanDerWaalsContact C-N 3.31Å; T181-Y183 PolarHBondContact O-N 3.38Å; T181-V184 PolarHBondContact O-N 2.93Å; T181-D185 WeakPolarHBondContact O-CB 3.45Å; T181-D185 VanDerWaalsContact O-CG 3.24Å; T181-D185 PolarHBondContact O-N 3.14Å
182	A	89.9	Confident	84.4	Confident	56 Å²	56	88.9 Å²	88.9	46%	0.463	48%	0.483	S	S	.	.	H	α-helix	trans	-61.7	-39.2	176.7	0	0	0	0	0	112.2	V178 Q179 S186	V178-A182 VanDerWaalsContact O-CB 3.31Å; V178-A182 WeakPolarHBondContact O-CB 3.46Å; V178-A182 PolarHBondContact O-N 3.46Å; Q179-A182 PolarHBondContact O-N 3.47Å; A182-S186 WeakPolarHBondContact O-CB 3.4Å; A182-S186 PolarHBondContact O-N 2.95Å
183	Y	86.8	Confident	83.7	Confident	158 Å²	158	91.3 Å²	91.3	62%	0.62	49%	0.491	S	S	*	.	H	α-helix	trans	-62.7	-49.9	173.9	179	-99.8	0	0	0	111.2	Q179 T180 T181 D185 S186 T187	Q179-Y183 WeakPolarHBondContact O-CB 3.34Å; Q179-Y183 PolarHBondContact O-N 2.94Å; T180-Y183 PolarHBondContact O-N 2.95Å; T181-Y183 VanDerWaalsContact C-N 3.31Å; T181-Y183 PolarHBondContact O-N 3.38Å; Y183-D185 VanDerWaalsContact C-N 3.35Å; Y183-D185 PolarHBondContact O-N 2.68Å; Y183-S186 PolarHBondContact O-N 3.42Å; Y183-S186 VanDerWaalsContact O-N 3.17Å; Y183-S186 PolarHBondContact O-OG 2.88Å; Y183-T187 HydrophobicContact CD1-CG2 4.14Å; Y183-T187 HydrophobicContact CD2-CG2 4.44Å; Y183-T187 HydrophobicContact CE1-CG2 3.69Å; Y183-T187 HydrophobicContact CE2-CG2 4.02Å; Y183-T187 WeakPolarHBondContact O-CG2 3.42Å; Y183-T187 PolarHBondContact O-N 2.78Å; Y183-T187 PolarHBondContact O-OG1 3.49Å
184	V	86.4	Confident	82.8	Confident	70 Å²	70	92.3 Å²	92.3	42%	0.424	49%	0.493	S	S	.	.	H	α-helix	trans	-57.7	-47.8	178.5	172.3	0	0	0	0	110.9	T180 T181 S186 T187 Q188	T180-V184 WeakPolarHBondContact O-CG2 3.48Å; T180-V184 PolarHBondContact O-N 3.3Å; T181-V184 PolarHBondContact O-N 2.93Å; V184-S186 VanDerWaalsContact C-N 3.29Å; V184-S186 PolarHBondContact O-N 3.17Å; V184-T187 PolarHBondContact O-N 2.98Å; V184-T187 VanDerWaalsContact O-N 3.14Å; V184-T187 PolarHBondContact O-OG1 2.9Å; V184-Q188 WeakPolarHBondContact O-CB 3.46Å; V184-Q188 PolarHBondContact O-N 3.26Å
185	D	84.9	Confident	81.8	Confident	93 Å²	93	96.3 Å²	96.3	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-60.2	-38.8	178.6	-68.5	-18.2	0	0	0	112	T181 Y183 S189	T181-D185 WeakPolarHBondContact O-CB 3.45Å; T181-D185 VanDerWaalsContact O-CG 3.24Å; T181-D185 PolarHBondContact O-N 3.14Å; Y183-D185 VanDerWaalsContact C-N 3.35Å; Y183-D185 PolarHBondContact O-N 2.68Å; D185-S189 WeakPolarHBondContact O-CB 3.46Å; D185-S189 PolarHBondContact O-N 2.97Å; D185-S189 PolarHBondContact O-OG 3.3Å
186	S	85	Confident	80.9	Confident	51 Å²	51	95 Å²	95	36%	0.357	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-42.2	176.1	78.4	0	0	0	0	112	A182 Y183 V184 S189 N190	A182-S186 WeakPolarHBondContact O-CB 3.4Å; A182-S186 PolarHBondContact O-N 2.95Å; Y183-S186 PolarHBondContact O-N 3.42Å; Y183-S186 VanDerWaalsContact O-N 3.17Å; Y183-S186 PolarHBondContact O-OG 2.88Å; V184-S186 VanDerWaalsContact C-N 3.29Å; V184-S186 PolarHBondContact O-N 3.17Å; S186-S189 PolarHBondContact O-N 3.01Å; S186-N190 WeakPolarHBondContact O-CB 3.48Å; S186-N190 VanDerWaalsContact O-CG 3.25Å; S186-N190 PolarHBondContact O-N 3.32Å; S186-N190 PolarHBondContact O-ND2 2.95Å
187	T	82.4	Confident	79.9	Confident	49 Å²	49	95.4 Å²	95.4	30%	0.301	50%	0.502	S	S	.	.	H	α-helix	trans	-67.6	-39.9	178.1	61.7	0	0	0	0	111.5	Y183 V184 N190 V191	Y183-T187 HydrophobicContact CD1-CG2 4.14Å; Y183-T187 HydrophobicContact CD2-CG2 4.44Å; Y183-T187 HydrophobicContact CE1-CG2 3.69Å; Y183-T187 HydrophobicContact CE2-CG2 4.02Å; Y183-T187 WeakPolarHBondContact O-CG2 3.42Å; Y183-T187 PolarHBondContact O-N 2.78Å; Y183-T187 PolarHBondContact O-OG1 3.49Å; V184-T187 PolarHBondContact O-N 2.98Å; V184-T187 VanDerWaalsContact O-N 3.14Å; V184-T187 PolarHBondContact O-OG1 2.9Å; T187-N190 PolarHBondContact O-N 3.44Å; T187-V191 VanDerWaalsContact O-CG2 3.24Å; T187-V191 WeakPolarHBondContact O-CG2 3.34Å; T187-V191 PolarHBondContact O-N 3.44Å
188	Q	78.7	Confident	78.9	Confident	102 Å²	102	94.3 Å²	94.3	48%	0.477	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-43.3	176.7	-170	169.7	5.7	0	0	111	V184 N190 V191 M192	V184-Q188 WeakPolarHBondContact O-CB 3.46Å; V184-Q188 PolarHBondContact O-N 3.26Å; Q188-N190 PolarHBondContact O-N 3Å; Q188-V191 PolarHBondContact O-N 3.26Å; Q188-M192 HydrophobicContact CG-CE 4.14Å; Q188-M192 WeakPolarHBondContact O-CG 3.37Å; Q188-M192 PolarHBondContact O-N 2.92Å
189	S	74.2	Confident	77.6	Confident	63 Å²	63	96.6 Å²	96.6	44%	0.441	50%	0.498	S	S	.	.	H	α-helix	trans	-60	-44.6	174.8	-59.9	0	0	0	0	112	D185 S186 M192 M193	D185-S189 WeakPolarHBondContact O-CB 3.46Å; D185-S189 PolarHBondContact O-N 2.97Å; D185-S189 PolarHBondContact O-OG 3.3Å; S186-S189 PolarHBondContact O-N 3.01Å; S189-M192 PolarHBondContact O-N 2.78Å; S189-M193 WeakPolarHBondContact O-CG 3.33Å; S189-M193 PolarHBondContact O-N 3.09Å
190	N	72.7	Confident	76.6	Confident	92 Å²	92	93.8 Å²	93.8	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-41	176.6	-73.2	-23.8	0	0	0	112.4	S186 T187 Q188 M192 M193 N194	S186-N190 WeakPolarHBondContact O-CB 3.48Å; S186-N190 VanDerWaalsContact O-CG 3.25Å; S186-N190 PolarHBondContact O-N 3.32Å; S186-N190 PolarHBondContact O-ND2 2.95Å; T187-N190 PolarHBondContact O-N 3.44Å; Q188-N190 PolarHBondContact O-N 3Å; N190-M192 VanDerWaalsContact C-N 3.34Å; N190-M193 PolarHBondContact O-N 3.45Å; N190-N194 WeakPolarHBondContact O-CB 3.03Å; N190-N194 VanDerWaalsContact O-CG 3.3Å; N190-N194 PolarHBondContact O-N 3.12Å; N190-N194 PolarHBondContact O-ND2 2.94Å
191	V	74	Confident	75.6	Confident	95 Å²	95	95.7 Å²	95.7	58%	0.576	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-40.9	175.3	170.9	0	0	0	0	110.9	T187 Q188 R195	T187-V191 VanDerWaalsContact O-CG2 3.24Å; T187-V191 WeakPolarHBondContact O-CG2 3.34Å; T187-V191 PolarHBondContact O-N 3.44Å; Q188-V191 PolarHBondContact O-N 3.26Å; V191-R195 WeakPolarHBondContact O-CB 3.48Å; V191-R195 PolarHBondContact O-N 3.16Å; V191-R195 VanDerWaalsContact O-N 3.07Å
192	M	72.2	Confident	74.3	Confident	116 Å²	116	98.9 Å²	98.9	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-66.6	-42.2	176.8	-73.3	-171.4	178.5	0	0	112.7	Q188 S189 N190 R195 T196	Q188-M192 HydrophobicContact CG-CE 4.14Å; Q188-M192 WeakPolarHBondContact O-CG 3.37Å; Q188-M192 PolarHBondContact O-N 2.92Å; S189-M192 PolarHBondContact O-N 2.78Å; N190-M192 VanDerWaalsContact C-N 3.34Å; M192-R195 PolarHBondContact O-N 2.94Å; M192-T196 PolarHBondContact O-N 3Å; M192-T196 PolarHBondContact O-OG1 3.47Å
193	M	70.2	Confident	72.8	Confident	123 Å²	123	103.1 Å²	103.1	61%	0.606	53%	0.528	S	S	*	.	H	α-helix	trans	-62	-47.9	175.5	-76.5	-174.8	177.8	0	0	111.7	S189 N190 R195 T196 T197	S189-M193 WeakPolarHBondContact O-CG 3.33Å; S189-M193 PolarHBondContact O-N 3.09Å; N190-M193 PolarHBondContact O-N 3.45Å; M193-R195 PolarHBondContact O-N 2.77Å; M193-T196 WeakPolarHBondContact CA-OG1 3.49Å; M193-T196 PolarHBondContact O-N 2.91Å; M193-T196 VanDerWaalsContact O-N 3.09Å; M193-T196 PolarHBondContact O-OG1 3.47Å; M193-T197 PolarHBondContact O-N 2.89Å; M193-T197 PolarHBondContact O-OG1 3.46Å
194	N	68.6	Low	70.9	Confident	111 Å²	111	106.4 Å²	106.4	59%	0.594	55%	0.549	S	S	*	.	H	α-helix	trans	-61.9	-34.1	178.1	-73.8	-17	0	0	0	112.3	N190 T197 Y198	N190-N194 WeakPolarHBondContact O-CB 3.03Å; N190-N194 VanDerWaalsContact O-CG 3.3Å; N190-N194 PolarHBondContact O-N 3.12Å; N190-N194 PolarHBondContact O-ND2 2.94Å; N194-T197 WeakPolarHBondContact CA-OG1 3.35Å; N194-T197 PolarHBondContact O-OG1 3.31Å; N194-Y198 VanDerWaalsContact O-CB 3.31Å; N194-Y198 WeakPolarHBondContact O-CB 3.44Å; N194-Y198 PolarHBondContact O-N 3.3Å
195	R	67.2	Low	70.1	Confident	163 Å²	163	108.3 Å²	108.3	62%	0.615	56%	0.555	S	S	*	*	H	α-helix	trans	-69	-40.3	175	-175.2	179.1	-89	-164.7	-2.9	111.4	V191 M192 M193 Y198 Y199	V191-R195 WeakPolarHBondContact O-CB 3.48Å; V191-R195 PolarHBondContact O-N 3.16Å; V191-R195 VanDerWaalsContact O-N 3.07Å; M192-R195 PolarHBondContact O-N 2.94Å; M193-R195 PolarHBondContact O-N 2.77Å; R195-Y198 PolarHBondContact O-N 3.37Å; R195-Y199 HydrophobicContact CG-CD2 3.79Å; R195-Y199 HydrophobicContact CG-CE2 3.39Å; R195-Y199 WeakPolarHBondContact O-CD2 3.31Å; R195-Y199 PolarHBondContact O-N 3.02Å; R195-Y199 VanDerWaalsContact O-N 3.12Å
196	T	68.7	Low	69.3	Low	87 Å²	87	109.1 Å²	109.1	53%	0.534	56%	0.558	S	S	.	*	H	α-helix	trans	-67	-44.5	176.9	16.7	0	0	0	0	111.6	M192 M193 Y198 Y199 S200	M192-T196 PolarHBondContact O-N 3Å; M192-T196 PolarHBondContact O-OG1 3.47Å; M193-T196 WeakPolarHBondContact CA-OG1 3.49Å; M193-T196 PolarHBondContact O-N 2.91Å; M193-T196 VanDerWaalsContact O-N 3.09Å; M193-T196 PolarHBondContact O-OG1 3.47Å; T196-Y198 VanDerWaalsContact C-N 3.3Å; T196-Y198 PolarHBondContact O-N 3.02Å; T196-Y199 PolarHBondContact O-N 2.85Å; T196-S200 PolarHBondContact O-N 3.31Å; T196-S200 PolarHBondContact O-OG 2.98Å
197	T	67	Low	68.4	Low	76 Å²	76	112.3 Å²	112.3	47%	0.466	57%	0.57	S	S	.	*	H	α-helix	trans	-62.2	-38.1	175.8	53.8	0	0	0	0	112.3	M193 N194 S200 N201	M193-T197 PolarHBondContact O-N 2.89Å; M193-T197 PolarHBondContact O-OG1 3.46Å; N194-T197 WeakPolarHBondContact CA-OG1 3.35Å; N194-T197 PolarHBondContact O-OG1 3.31Å; T197-S200 PolarHBondContact O-N 2.93Å; T197-N201 WeakPolarHBondContact O-CB 3.31Å; T197-N201 VanDerWaalsContact O-CG 3.23Å; T197-N201 PolarHBondContact O-N 3.35Å; T197-N201 PolarHBondContact O-OD1 3.36Å
198	Y	69.2	Low	67.6	Low	136 Å²	136	116 Å²	116	53%	0.533	59%	0.585	S	S	.	*	H	α-helix	trans	-62.5	-43.3	175.7	-177.8	-92.3	0	0	0	112	N194 R195 T196 M202	N194-Y198 VanDerWaalsContact O-CB 3.31Å; N194-Y198 WeakPolarHBondContact O-CB 3.44Å; N194-Y198 PolarHBondContact O-N 3.3Å; R195-Y198 PolarHBondContact O-N 3.37Å; T196-Y198 VanDerWaalsContact C-N 3.3Å; T196-Y198 PolarHBondContact O-N 3.02Å; Y198-M202 HydrophobicContact CD1-SD 4.41Å; Y198-M202 HydrophobicContact CE1-CE 4.02Å; Y198-M202 HydrophobicContact CE1-CG 4.4Å; Y198-M202 HydrophobicContact CE1-SD 3.61Å; Y198-M202 HydrophobicContact CE2-CE 4.49Å; Y198-M202 PolarHBondContact O-N 2.96Å; Y198-M202 WeakPolarHBondContact OH-CE 3.46Å
199	Y	65.7	Low	66.9	Low	132 Å²	132	116.9 Å²	116.9	52%	0.518	59%	0.592	S	S	.	*	H	α-helix	trans	-72.8	-34.1	177.7	-73.2	-59.8	0	0	0	113.5	R195 T196 M202 N203	R195-Y199 HydrophobicContact CG-CD2 3.79Å; R195-Y199 HydrophobicContact CG-CE2 3.39Å; R195-Y199 WeakPolarHBondContact O-CD2 3.31Å; R195-Y199 PolarHBondContact O-N 3.02Å; R195-Y199 VanDerWaalsContact O-N 3.12Å; T196-Y199 PolarHBondContact O-N 2.85Å; Y199-M202 PolarHBondContact O-N 3.27Å; Y199-N203 PolarHBondContact O-N 2.96Å
200	S	67.2	Low	66.4	Low	72 Å²	72	120.5 Å²	120.5	50%	0.503	60%	0.602	S	S	.	*	H	α-helix	trans	-62.5	-43.4	173.5	-66.2	0	0	0	0	111.6	T196 T197 M202 N203	T196-S200 PolarHBondContact O-N 3.31Å; T196-S200 PolarHBondContact O-OG 2.98Å; T197-S200 PolarHBondContact O-N 2.93Å; S200-M202 PolarHBondContact O-N 2.93Å; S200-N203 PolarHBondContact O-N 3.32Å
201	N	66	Low	66	Low	116 Å²	116	122.5 Å²	122.5	62%	0.62	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-12.6	178.7	-67.1	-5.9	0	0	0	114	T197	T197-N201 WeakPolarHBondContact O-CB 3.31Å; T197-N201 VanDerWaalsContact O-CG 3.23Å; T197-N201 PolarHBondContact O-N 3.35Å; T197-N201 PolarHBondContact O-OD1 3.36Å
202	M	64.2	Low	65.4	Low	116 Å²	116	124.6 Å²	124.6	57%	0.571	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-11.6	174.3	-79.7	-160.8	149.7	0	0	113.5	Y198 Y199 S200	Y198-M202 HydrophobicContact CD1-SD 4.41Å; Y198-M202 HydrophobicContact CE1-CE 4.02Å; Y198-M202 HydrophobicContact CE1-CG 4.4Å; Y198-M202 HydrophobicContact CE1-SD 3.61Å; Y198-M202 HydrophobicContact CE2-CE 4.49Å; Y198-M202 PolarHBondContact O-N 2.96Å; Y198-M202 WeakPolarHBondContact OH-CE 3.46Å; Y199-M202 PolarHBondContact O-N 3.27Å; S200-M202 PolarHBondContact O-N 2.93Å
203	N	57.3	Low	64.8	Low	145 Å²	145	125.3 Å²	125.3	78%	0.775	62%	0.616	S	S	*	*			trans	-108.2	5.4	-178.2	-73.6	-20.8	0	0	0	113.4	Y199 S200	Y199-N203 PolarHBondContact O-N 2.96Å; S200-N203 PolarHBondContact O-N 3.32Å
204	E	46.6	Very low	64.3	Low	227 Å²	227	125.5 Å²	125.5	100%	1.061	62%	0.617	S	S	*	*			trans	-103.6	0	166.2	-74.9	-173.8	157.3	0	0	110.4

Retrieved 204 of 204 residues in 37.9 ms (Link to these results)

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