A0A077ZRB2_TRITR Loading...

RNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZRB2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 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	S	30.8	Very low	34.5	Very low	163 Å²	163	125.2 Å²	125.2	100%	1.14	80%	0.8	S	S	*	*				0	101.7	0	30.5	0	0	0	0	108.4
2	V	33.3	Very low	35.5	Very low	152 Å²	152	122.3 Å²	122.3	92%	0.921	77%	0.773	S	S	*	*			trans	-128.8	117.9	164.8	178.6	0	0	0	0	106.4
3	T	30.2	Very low	36.3	Very low	125 Å²	125	115.4 Å²	115.4	77%	0.767	73%	0.731	S	S	*	*			trans	-95.6	139.1	-167.7	-34.7	0	0	0	0	109.3
4	A	32.1	Very low	37.4	Very low	96 Å²	96	111.5 Å²	111.5	79%	0.793	71%	0.705	S	S	*	*			trans	36.7	101.6	155	0	0	0	0	0	118.9
5	G	31.9	Very low	37.9	Very low	78 Å²	78	112.4 Å²	112.4	80%	0.804	70%	0.697	S	S	*	*			trans	-101.9	112.6	154.2	0	0	0	0	0	109.5	T7	G5-T7 PolarHBondContact O-N 2.85Å
6	Q	31.9	Very low	38	Very low	190 Å²	190	108.3 Å²	108.3	89%	0.888	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-54.2	130.8	175.1	-70.5	170	-17.7	0	0	111
7	T	35.2	Very low	38.1	Very low	137 Å²	137	111.8 Å²	111.8	84%	0.84	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.8	174.6	26.7	0	0	0	0	110.6	G5	G5-T7 PolarHBondContact O-N 2.85Å
8	P	34.5	Very low	38.3	Very low	111 Å²	111	110.8 Å²	110.8	72%	0.721	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-74.1	153.4	177.9	28.7	-31.2	0	0	0	111.3	G10	P8-G10 PolarHBondContact O-N 3.19Å
9	P	41.5	Very low	38.7	Very low	131 Å²	131	108.3 Å²	108.3	85%	0.851	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-69.7	129.2	-168.5	27.5	-32.3	0	0	0	111.4
10	G	39.6	Very low	38.9	Very low	38 Å²	38	107.6 Å²	107.6	39%	0.392	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-64.7	144.9	179.3	0	0	0	0	0	112.9	P8	P8-G10 PolarHBondContact O-N 3.19Å
11	F	38.9	Very low	39.1	Very low	156 Å²	156	106.4 Å²	106.4	68%	0.684	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-91.9	141.9	179.4	-159	-100.7	0	0	0	111.3	L63	F11-L63 HydrophobicContact CB-CD1 4.13Å
12	L	45.9	Very low	39.5	Very low	90 Å²	90	109 Å²	109	47%	0.471	67%	0.67	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.4	128.1	179.6	-72.8	159	0	0	0	110.2	L55	L12-L55 HydrophobicContact CB-CD2 4.44Å
13	S	46.7	Very low	39.6	Very low	33 Å²	33	113.9 Å²	113.9	23%	0.231	67%	0.672	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.4	130.6	174.3	-170.9	0	0	0	0	109.9
14	V	51.6	Low	40.2	Very low	61 Å²	61	115.6 Å²	115.6	37%	0.37	67%	0.671	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.8	117.1	179.6	-175.5	0	0	0	0	108.6	L48 F53 L55	V14-L48 HydrophobicContact CG1-CD2 3.95Å; V14-F53 HydrophobicContact CG1-CB 3.66Å; V14-F53 HydrophobicContact CG1-CD2 3.91Å; V14-F53 HydrophobicContact CG1-CG 3.81Å; V14-L55 HydrophobicContact CG2-CD2 4.36Å
15	H	44.3	Very low	40.4	Very low	125 Å²	125	120.1 Å²	120.1	58%	0.579	67%	0.673	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102	113	164.5	-69.9	-70	0	0	0	107.6	F53	H15-F53 WeakPolarHBondContact O-CB 3.47Å
16	G	39.5	Very low	40.7	Very low	46 Å²	46	122.5 Å²	122.5	47%	0.474	67%	0.674	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.2	134.3	177.6	0	0	0	0	0	110.7
17	E	39.8	Very low	41.5	Very low	169 Å²	169	117 Å²	117	79%	0.79	66%	0.661	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.2	135.8	167.9	-71.5	178.8	169.7	0	0	108.9	T19	E17-T19 PolarHBondContact O-N 3.3Å
18	S	41.6	Very low	41.9	Very low	94 Å²	94	116 Å²	116	66%	0.657	66%	0.659	S	S	*	*			trans	-70.2	122.1	179.3	179.6	0	0	0	0	110.7	A20	S18-A20 PolarHBondContact O-N 3.38Å
19	T	46.1	Very low	42.5	Very low	63 Å²	63	122.3 Å²	122.3	39%	0.387	67%	0.669	S	S	.	*			trans	-100.3	50.8	177.5	53	0	0	0	0	111.5	E17 G21	E17-T19 PolarHBondContact O-N 3.3Å; T19-G21 PolarHBondContact O-N 2.85Å
20	A	42.3	Very low	43	Very low	94 Å²	94	118.5 Å²	118.5	78%	0.777	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	105.3	167.7	0	0	0	0	0	109.8	S18	S18-A20 PolarHBondContact O-N 3.38Å
21	G	42.9	Very low	44	Very low	82 Å²	82	123.3 Å²	123.3	85%	0.845	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.2	5.8	162	0	0	0	0	0	118.8	T19	T19-G21 PolarHBondContact O-N 2.85Å
22	R	39.3	Very low	45.3	Very low	218 Å²	218	118.9 Å²	118.9	82%	0.823	68%	0.676	S	S	*	*			trans	-97.9	122.7	172.2	-73.2	-171.3	-164.7	-173.7	6.4	112.2	Q24	R22-Q24 PolarHBondContact O-N 3.33Å; R22-Q24 VanDerWaalsContact O-N 3.09Å
23	R	36.6	Very low	46.2	Very low	254 Å²	254	117.3 Å²	117.3	96%	0.958	67%	0.67	S	S	*	*			trans	-54.2	108.2	174.5	-150.1	176.2	-177.1	-167.6	0.7	109.5	K25	R23-K25 PolarHBondContact O-N 3.29Å
24	Q	42.3	Very low	47.3	Very low	161 Å²	161	119.6 Å²	119.6	75%	0.752	68%	0.684	S	S	*	*			trans	-71.9	124.3	-170	-66.1	-177	-0.8	0	0	111.6	R22	R22-Q24 PolarHBondContact O-N 3.33Å; R22-Q24 VanDerWaalsContact O-N 3.09Å
25	K	36.9	Very low	48	Very low	191 Å²	191	124.9 Å²	124.9	83%	0.83	71%	0.71	S	S	*	*			trans	-72.5	141.5	149.1	-75.7	-172.9	175.5	-176.6	0	107	R23 A27	R23-K25 PolarHBondContact O-N 3.29Å; K25-A27 PolarHBondContact O-N 3.14Å
26	P	37.1	Very low	49.3	Very low	129 Å²	129	126.3 Å²	126.3	84%	0.838	72%	0.721	S	S	*	*			trans	-61.4	107.6	-176.7	24.6	-32.2	0	0	0	109	S28	P26-S28 PolarHBondContact O-N 3.06Å
27	A	48.7	Very low	50.8	Low	74 Å²	74	126 Å²	126	61%	0.612	71%	0.708	S	S	*	*			trans	-59.9	134.4	169.5	0	0	0	0	0	107.4	K25 R29	K25-A27 PolarHBondContact O-N 3.14Å; A27-R29 PolarHBondContact O-N 3.45Å
28	S	44.5	Very low	52.6	Low	115 Å²	115	125.3 Å²	125.3	80%	0.804	70%	0.702	S	S	*	*			trans	-47.4	108.7	174.1	50.2	0	0	0	0	108.4	P26 G30	P26-S28 PolarHBondContact O-N 3.06Å; S28-G30 PolarHBondContact O-N 3Å
29	R	45.8	Very low	53.9	Low	245 Å²	245	124.8 Å²	124.8	93%	0.925	70%	0.697	S	S	*	*			trans	-52.2	115.8	175	-73.4	-178.3	-177.6	-178	-0.4	106	A27	A27-R29 PolarHBondContact O-N 3.45Å
30	G	53.5	Low	55.3	Low	50 Å²	50	130.8 Å²	130.8	52%	0.515	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-54.6	168.4	164	0	0	0	0	0	109.6	S28 G32	S28-G30 PolarHBondContact O-N 3Å; G30-G32 PolarHBondContact O-N 3.13Å
31	P	59.8	Low	57	Low	139 Å²	139	131.5 Å²	131.5	90%	0.903	70%	0.701	S	S	*	*	S	Bend	trans	-48.7	121.7	172.4	21.8	-31.1	0	0	0	107.8
32	G	66.1	Low	58.6	Low	63 Å²	63	129 Å²	129	65%	0.649	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-53	154.5	-174.1	0	0	0	0	0	110.9	G30	G30-G32 PolarHBondContact O-N 3.13Å
33	T	65.9	Low	60.1	Low	58 Å²	58	124.8 Å²	124.8	36%	0.356	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-51.2	126	173.5	-42.1	0	0	0	0	108.4	I37 L42 S45	T33-I37 HydrophobicContact CG2-CD1 3.67Å; T33-I37 HydrophobicContact CG2-CG2 4.17Å; T33-L42 HydrophobicContact CG2-CD1 4.11Å; T33-S45 WeakPolarHBondContact CG2-OG 3.35Å; T33-S45 PolarHBondContact OG1-OG 2.89Å
34	P	68.7	Low	62.3	Low	81 Å²	81	118.9 Å²	118.9	53%	0.526	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-62.6	147.9	-178.8	23.4	-32.1	0	0	0	110.6	I36 I37	P34-I36 PolarHBondContact O-N 3.45Å; P34-I37 HydrophobicContact CG-CB 4.39Å
35	D	66.6	Low	64.1	Low	171 Å²	171	112.4 Å²	112.4	91%	0.914	60%	0.603	S	S	*	*	S	Bend	trans	-56.7	-27.3	-178.8	-62.7	-26.8	0	0	0	112.7
36	I	70.8	Confident	66.1	Low	156 Å²	156	106.7 Å²	106.7	80%	0.8	58%	0.58	S	S	*	*	S	Bend	trans	-117.9	105.2	179.3	-52.6	173.9	0	0	0	108.5	P34	P34-I36 PolarHBondContact O-N 3.45Å
37	I	72.5	Confident	68.2	Low	39 Å²	39	104.9 Å²	104.9	20%	0.2	56%	0.562	C	S	.	*			trans	-140	142.1	179.3	-173.2	164.6	0	0	0	110	T33 P34 M41 L42	T33-I37 HydrophobicContact CG2-CD1 3.67Å; T33-I37 HydrophobicContact CG2-CG2 4.17Å; P34-I37 HydrophobicContact CG-CB 4.39Å; I37-M41 HydrophobicContact CD1-CB 3.66Å; I37-M41 HydrophobicContact CD1-CE 4.36Å; I37-M41 HydrophobicContact CG1-CB 3.42Å; I37-M41 VanDerWaalsContact CG1-CB 3.42Å; I37-M41 HydrophobicContact CG1-CE 4.42Å; I37-L42 HydrophobicContact CG2-CB 3.76Å; I37-L42 HydrophobicContact CG2-CD1 3.94Å; I37-L42 HydrophobicContact CG2-CD2 4.16Å; I37-L42 HydrophobicContact CG2-CG 4.17Å
38	F	75.7	Confident	69.8	Low	155 Å²	155	103.1 Å²	103.1	68%	0.68	54%	0.542	S	S	*	.			trans	-61.3	143.7	177.5	-64.5	-72.9	0	0	0	110.6	R40 M41 L42	F38-R40 CarbonylContact O-C 3.44Å; F38-R40 PolarHBondContact O-N 2.81Å; F38-M41 HydrophobicContact CD2-SD 3.98Å; F38-M41 WeakPolarHBondContact O-CA 3.4Å; F38-M41 PolarHBondContact O-N 2.94Å; F38-L42 PolarHBondContact O-N 3.26Å
39	P	70.7	Confident	71.6	Confident	83 Å²	83	103.3 Å²	103.3	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-52.4	-35.4	-178.2	-29.8	34.6	0	0	0	113.6	R43	P39-R43 WeakPolarHBondContact O-CD 3.49Å; P39-R43 WeakPolarHBondContact O-CG 3.4Å; P39-R43 PolarHBondContact O-N 2.87Å; P39-R43 VanDerWaalsContact O-N 3.07Å
40	R	74.2	Confident	73.3	Confident	188 Å²	188	94.6 Å²	94.6	71%	0.709	52%	0.515	S	S	*	.	H	α-helix	trans	-63.3	-49	174.3	-177.4	177	176.6	124.4	-0.5	111.8	F38 L42 R43 W44	F38-R40 CarbonylContact O-C 3.44Å; F38-R40 PolarHBondContact O-N 2.81Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-R43 WeakPolarHBondContact O-CB 3.33Å; R40-R43 PolarHBondContact O-N 3.45Å; R40-W44 PolarHBondContact O-N 3.16Å; R40-W44 VanDerWaalsContact O-N 3.13Å
41	M	78.7	Confident	74.9	Confident	110 Å²	110	97.2 Å²	97.2	54%	0.542	51%	0.509	S	S	.	.	H	α-helix	trans	-67.9	-35.8	-179.2	-73.1	-179.9	65.9	0	0	111.8	I37 F38 W44 S45	I37-M41 HydrophobicContact CD1-CB 3.66Å; I37-M41 HydrophobicContact CD1-CE 4.36Å; I37-M41 HydrophobicContact CG1-CB 3.42Å; I37-M41 VanDerWaalsContact CG1-CB 3.42Å; I37-M41 HydrophobicContact CG1-CE 4.42Å; F38-M41 HydrophobicContact CD2-SD 3.98Å; F38-M41 WeakPolarHBondContact O-CA 3.4Å; F38-M41 PolarHBondContact O-N 2.94Å; M41-W44 PolarHBondContact O-N 3.43Å; M41-S45 WeakPolarHBondContact O-CB 3.21Å; M41-S45 PolarHBondContact O-N 3.39Å
42	L	75.3	Confident	76.1	Confident	29 Å²	29	95.3 Å²	95.3	15%	0.152	50%	0.496	C	S	.	.	H	α-helix	trans	-59.9	-48.6	173.4	-174.6	49.7	0	0	0	111.3	T33 I37 F38 R40 W44 S45 I46 L88 E92	T33-L42 HydrophobicContact CG2-CD1 4.11Å; I37-L42 HydrophobicContact CG2-CB 3.76Å; I37-L42 HydrophobicContact CG2-CD1 3.94Å; I37-L42 HydrophobicContact CG2-CD2 4.16Å; I37-L42 HydrophobicContact CG2-CG 4.17Å; F38-L42 PolarHBondContact O-N 3.26Å; R40-L42 VanDerWaalsContact C-N 3.34Å; L42-W44 VanDerWaalsContact C-N 3.33Å; L42-W44 PolarHBondContact O-N 3.05Å; L42-S45 WeakPolarHBondContact O-CA 3.4Å; L42-S45 VanDerWaalsContact O-CB 3.32Å; L42-S45 WeakPolarHBondContact O-CB 3.38Å; L42-S45 PolarHBondContact O-N 3.42Å; L42-I46 HydrophobicContact CD1-CD1 4.19Å; L42-I46 HydrophobicContact CD1-CG1 4.4Å; L42-I46 HydrophobicContact CG-CD1 4Å; L42-I46 VanDerWaalsContact O-CD1 3.26Å; L42-I46 WeakPolarHBondContact O-CD1 3.38Å; L42-I46 WeakPolarHBondContact O-CG1 3.18Å; L42-I46 PolarHBondContact O-N 3.37Å; L42-L88 HydrophobicContact CD1-CD2 4.05Å; L42-L88 HydrophobicContact CD2-CD2 3.7Å; L42-L88 HydrophobicContact CG-CD2 3.84Å; L42-E92 WeakPolarHBondContact CD2-OE1 3.47Å
43	R	72.4	Confident	77	Confident	130 Å²	130	95.8 Å²	95.8	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-54.4	-46.9	174.5	-71.1	167.2	-171.5	-162.8	0.6	112.2	P39 R40 I46 M47	P39-R43 WeakPolarHBondContact O-CD 3.49Å; P39-R43 WeakPolarHBondContact O-CG 3.4Å; P39-R43 PolarHBondContact O-N 2.87Å; P39-R43 VanDerWaalsContact O-N 3.07Å; R40-R43 WeakPolarHBondContact O-CB 3.33Å; R40-R43 PolarHBondContact O-N 3.45Å; R43-I46 PolarHBondContact O-N 3.35Å; R43-M47 WeakPolarHBondContact O-CB 3.3Å; R43-M47 PolarHBondContact O-N 2.86Å
44	W	83.1	Confident	78.1	Confident	129 Å²	129	100.7 Å²	100.7	49%	0.489	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-39.7	174.9	-75.6	104.4	0	0	0	111.9	R40 M41 L42 I46 M47 L48	R40-W44 PolarHBondContact O-N 3.16Å; R40-W44 VanDerWaalsContact O-N 3.13Å; M41-W44 PolarHBondContact O-N 3.43Å; L42-W44 VanDerWaalsContact C-N 3.33Å; L42-W44 PolarHBondContact O-N 3.05Å; W44-I46 PolarHBondContact O-N 2.68Å; W44-M47 HydrophobicContact CD2-CE 4Å; W44-M47 HydrophobicContact CE3-CE 3.14Å; W44-M47 HydrophobicContact CH2-CE 3.74Å; W44-M47 HydrophobicContact CZ2-CE 4.49Å; W44-M47 HydrophobicContact CZ3-CE 3Å; W44-M47 PolarHBondContact O-N 2.98Å; W44-L48 WeakPolarHBondContact O-CB 3.41Å; W44-L48 WeakPolarHBondContact O-CG 3.28Å; W44-L48 PolarHBondContact O-N 2.78Å
45	S	79.9	Confident	78.8	Confident	26 Å²	26	101.6 Å²	101.6	18%	0.182	50%	0.496	C	S	.	.	H	α-helix	trans	-59.6	-46.2	176.6	177.7	0	0	0	0	111.9	T33 M41 L42 L48 N49	T33-S45 WeakPolarHBondContact CG2-OG 3.35Å; T33-S45 PolarHBondContact OG1-OG 2.89Å; M41-S45 WeakPolarHBondContact O-CB 3.21Å; M41-S45 PolarHBondContact O-N 3.39Å; L42-S45 WeakPolarHBondContact O-CA 3.4Å; L42-S45 VanDerWaalsContact O-CB 3.32Å; L42-S45 WeakPolarHBondContact O-CB 3.38Å; L42-S45 PolarHBondContact O-N 3.42Å; S45-L48 PolarHBondContact O-N 2.92Å; S45-N49 VanDerWaalsContact O-CG 3.22Å; S45-N49 PolarHBondContact O-N 3.06Å; S45-N49 PolarHBondContact O-ND2 3.36Å
46	I	78.2	Confident	79.8	Confident	71 Å²	71	96.1 Å²	96.1	36%	0.364	47%	0.469	S	S	.	.	H	α-helix	trans	-64.4	-47.4	177.7	-61.6	144.9	0	0	0	110.8	L42 R43 W44 L48 N49 L88	L42-I46 HydrophobicContact CD1-CD1 4.19Å; L42-I46 HydrophobicContact CD1-CG1 4.4Å; L42-I46 HydrophobicContact CG-CD1 4Å; L42-I46 VanDerWaalsContact O-CD1 3.26Å; L42-I46 WeakPolarHBondContact O-CD1 3.38Å; L42-I46 WeakPolarHBondContact O-CG1 3.18Å; L42-I46 PolarHBondContact O-N 3.37Å; R43-I46 PolarHBondContact O-N 3.35Å; W44-I46 PolarHBondContact O-N 2.68Å; I46-L48 VanDerWaalsContact C-N 3.31Å; I46-L48 PolarHBondContact O-N 3.13Å; I46-N49 WeakPolarHBondContact O-CB 3.35Å; I46-N49 PolarHBondContact O-N 3.21Å; I46-L88 HydrophobicContact CD1-CD1 3.16Å; I46-L88 HydrophobicContact CD1-CD2 3.58Å; I46-L88 HydrophobicContact CD1-CG 3.95Å; I46-L88 HydrophobicContact CG1-CD1 3.91Å; I46-L88 HydrophobicContact CG1-CD2 4.36Å
47	M	80.2	Confident	80.5	Confident	91 Å²	91	94.8 Å²	94.8	45%	0.448	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-41.2	-179.8	-174.1	171.8	67.1	0	0	111.4	R43 W44 A50 Y51	R43-M47 WeakPolarHBondContact O-CB 3.3Å; R43-M47 PolarHBondContact O-N 2.86Å; W44-M47 HydrophobicContact CD2-CE 4Å; W44-M47 HydrophobicContact CE3-CE 3.14Å; W44-M47 HydrophobicContact CH2-CE 3.74Å; W44-M47 HydrophobicContact CZ2-CE 4.49Å; W44-M47 HydrophobicContact CZ3-CE 3Å; W44-M47 PolarHBondContact O-N 2.98Å; M47-A50 WeakPolarHBondContact O-CB 3.49Å; M47-A50 PolarHBondContact O-N 2.88Å; M47-Y51 WeakPolarHBondContact O-CD2 3.35Å; M47-Y51 WeakPolarHBondContact O-CE2 3.29Å
48	L	83	Confident	81.1	Confident	37 Å²	37	96.3 Å²	96.3	19%	0.194	46%	0.464	C	S	.	.	H	α-helix	trans	-73	-25.7	179.8	-71.1	176.1	0	0	0	112.8	V14 W44 S45 I46 A50 Y51 F53	V14-L48 HydrophobicContact CG1-CD2 3.95Å; W44-L48 WeakPolarHBondContact O-CB 3.41Å; W44-L48 WeakPolarHBondContact O-CG 3.28Å; W44-L48 PolarHBondContact O-N 2.78Å; S45-L48 PolarHBondContact O-N 2.92Å; I46-L48 VanDerWaalsContact C-N 3.31Å; I46-L48 PolarHBondContact O-N 3.13Å; L48-A50 PolarHBondContact O-N 3.25Å; L48-A50 VanDerWaalsContact O-N 3.14Å; L48-Y51 PolarHBondContact O-N 3.4Å; L48-F53 HydrophobicContact CB-CD1 4.33Å; L48-F53 HydrophobicContact CB-CE1 3.62Å; L48-F53 HydrophobicContact CB-CZ 3.96Å; L48-F53 HydrophobicContact CD1-CZ 4.24Å; L48-F53 HydrophobicContact CG-CE1 4.46Å; L48-F53 WeakPolarHBondContact O-CE1 3.16Å
49	N	82.1	Confident	81.7	Confident	118 Å²	118	92 Å²	92	63%	0.631	45%	0.452	S	S	*	.	H	α-helix	trans	-58.7	-23.4	173.1	-81.8	-21.4	0	0	0	113	S45 I46 Y51	S45-N49 VanDerWaalsContact O-CG 3.22Å; S45-N49 PolarHBondContact O-N 3.06Å; S45-N49 PolarHBondContact O-ND2 3.36Å; I46-N49 WeakPolarHBondContact O-CB 3.35Å; I46-N49 PolarHBondContact O-N 3.21Å; N49-Y51 PolarHBondContact O-N 3.04Å
50	A	82.6	Confident	82.2	Confident	63 Å²	63	90.4 Å²	90.4	52%	0.521	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.4	174.2	0	0	0	0	0	113.4	M47 L48	M47-A50 WeakPolarHBondContact O-CB 3.49Å; M47-A50 PolarHBondContact O-N 2.88Å; L48-A50 PolarHBondContact O-N 3.25Å; L48-A50 VanDerWaalsContact O-N 3.14Å
51	Y	85.7	Confident	82.7	Confident	104 Å²	104	86.4 Å²	86.4	41%	0.408	46%	0.457	S	S	.	.	S	Bend	trans	-121.6	150.4	-173.4	-58.2	-87.1	0	0	0	111.3	M47 L48 N49 F53	M47-Y51 WeakPolarHBondContact O-CD2 3.35Å; M47-Y51 WeakPolarHBondContact O-CE2 3.29Å; L48-Y51 PolarHBondContact O-N 3.4Å; N49-Y51 PolarHBondContact O-N 3.04Å; Y51-F53 WeakPolarHBondContact O-CD1 3.31Å
52	T	86.3	Confident	82.9	Confident	100 Å²	100	87.8 Å²	87.8	61%	0.613	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.9	163.1	-55.8	0	0	0	0	107.6
53	F	84.4	Confident	83.3	Confident	73 Å²	73	87.4 Å²	87.4	32%	0.32	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.5	-177.4	59.8	-84.9	0	0	0	111.3	V14 H15 L48 Y51 L55	V14-F53 HydrophobicContact CG1-CB 3.66Å; V14-F53 HydrophobicContact CG1-CD2 3.91Å; V14-F53 HydrophobicContact CG1-CG 3.81Å; H15-F53 WeakPolarHBondContact O-CB 3.47Å; L48-F53 HydrophobicContact CB-CD1 4.33Å; L48-F53 HydrophobicContact CB-CE1 3.62Å; L48-F53 HydrophobicContact CB-CZ 3.96Å; L48-F53 HydrophobicContact CD1-CZ 4.24Å; L48-F53 HydrophobicContact CG-CE1 4.46Å; L48-F53 WeakPolarHBondContact O-CE1 3.16Å; Y51-F53 WeakPolarHBondContact O-CD1 3.31Å; F53-L55 HydrophobicContact CD2-CD2 4.23Å; F53-L55 HydrophobicContact CD2-CG 4.21Å; F53-L55 HydrophobicContact CE2-CD1 4.47Å; F53-L55 HydrophobicContact CE2-CD2 4.01Å; F53-L55 HydrophobicContact CE2-CG 3.97Å
54	K	87.9	Confident	83.8	Confident	160 Å²	160	83.3 Å²	83.3	70%	0.696	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.3	172	-175.8	178.6	178.9	179.4	0	108.8	V56	K54-V56 HydrophobicContact CD-CG2 4.41Å; K54-V56 HydrophobicContact CG-CG2 4.21Å; K54-V56 PolarHBondContact O-N 3.29Å
55	L	84.2	Confident	83.9	Confident	100 Å²	100	82.7 Å²	82.7	52%	0.524	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.9	172.3	-70	170.6	0	0	0	109.4	L12 V14 F53	L12-L55 HydrophobicContact CB-CD2 4.44Å; V14-L55 HydrophobicContact CG2-CD2 4.36Å; F53-L55 HydrophobicContact CD2-CD2 4.23Å; F53-L55 HydrophobicContact CD2-CG 4.21Å; F53-L55 HydrophobicContact CE2-CD1 4.47Å; F53-L55 HydrophobicContact CE2-CD2 4.01Å; F53-L55 HydrophobicContact CE2-CG 3.97Å
56	V	87.4	Confident	84	Confident	57 Å²	57	83.5 Å²	83.5	35%	0.345	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.9	175.9	-177.2	0	0	0	0	108.6	K54	K54-V56 HydrophobicContact CD-CG2 4.41Å; K54-V56 HydrophobicContact CG-CG2 4.21Å; K54-V56 PolarHBondContact O-N 3.29Å
57	H	85.7	Confident	84.1	Confident	127 Å²	127	83.6 Å²	83.6	59%	0.588	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.5	172.3	173.4	-98.2	0	0	0	109.9
58	K	85.8	Confident	84.4	Confident	72 Å²	72	81.9 Å²	81.9	31%	0.313	48%	0.475	S	S	.	.			trans	-124.3	132	171.9	-70.7	-175.5	177.9	174.4	0	108.9	L63	K58-L63 HydrophobicContact CB-CD1 4.47Å; K58-L63 HydrophobicContact CB-CG 4.46Å; K58-L63 WeakPolarHBondContact O-CD1 3.45Å
59	P	88.4	Confident	84.3	Confident	65 Å²	65	85.1 Å²	85.1	42%	0.422	49%	0.492	S	S	.	.			trans	-55.9	143.1	175	-24.4	33.8	0	0	0	111.9	A61 Q62	P59-A61 PolarHBondContact O-N 2.81Å; P59-A61 VanDerWaalsContact O-N 3.11Å; P59-Q62 PolarHBondContact O-N 2.82Å
60	G	81.5	Confident	84.1	Confident	49 Å²	49	83.8 Å²	83.8	51%	0.505	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-50.4	-37.7	-179.4	0	0	0	0	0	114.3	Q62 L63	G60-Q62 PolarHBondContact O-N 3.18Å; G60-Q62 VanDerWaalsContact O-N 3.14Å; G60-L63 WeakPolarHBondContact O-CB 3.41Å; G60-L63 PolarHBondContact O-N 2.99Å
61	A	83.3	Confident	83.9	Confident	103 Å²	103	89.3 Å²	89.3	85%	0.851	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-61.1	-22.1	177.7	0	0	0	0	0	114.1	P59	P59-A61 PolarHBondContact O-N 2.81Å; P59-A61 VanDerWaalsContact O-N 3.11Å
62	Q	84.3	Confident	83.6	Confident	139 Å²	139	89 Å²	89	65%	0.65	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-95.2	-0.8	177.3	-62.7	-176.1	0.8	0	0	113.3	P59 G60	P59-Q62 PolarHBondContact O-N 2.82Å; G60-Q62 PolarHBondContact O-N 3.18Å; G60-Q62 VanDerWaalsContact O-N 3.14Å
63	L	82.1	Confident	82.8	Confident	22 Å²	22	89.2 Å²	89.2	12%	0.115	51%	0.51	C	S	.	.			trans	-98.9	20	179.2	-74	150.9	0	0	0	112.2	F11 K58 G60 N65 A66 D67	F11-L63 HydrophobicContact CB-CD1 4.13Å; K58-L63 HydrophobicContact CB-CD1 4.47Å; K58-L63 HydrophobicContact CB-CG 4.46Å; K58-L63 WeakPolarHBondContact O-CD1 3.45Å; G60-L63 WeakPolarHBondContact O-CB 3.41Å; G60-L63 PolarHBondContact O-N 2.99Å; L63-N65 PolarHBondContact O-N 2.85Å; L63-N65 VanDerWaalsContact O-N 3.08Å; L63-A66 HydrophobicContact CD2-CB 4.47Å; L63-A66 PolarHBondContact O-N 3.26Å; L63-D67 PolarHBondContact O-N 3.02Å
64	G	83.9	Confident	81.8	Confident	44 Å²	44	91.4 Å²	91.4	45%	0.454	52%	0.52	S	S	.	.	H	α-helix	trans	-56	-30.4	-173.4	0	0	0	0	0	114.2	A68	G64-A68 WeakPolarHBondContact O-CB 3.19Å; G64-A68 PolarHBondContact O-N 3.23Å
65	N	85.6	Confident	80.7	Confident	115 Å²	115	92 Å²	92	62%	0.615	53%	0.531	S	S	*	.	H	α-helix	trans	-67.8	-45.5	174	62.9	-29.4	0	0	0	112.8	L63 L69	L63-N65 PolarHBondContact O-N 2.85Å; L63-N65 VanDerWaalsContact O-N 3.08Å; N65-L69 WeakPolarHBondContact O-CB 3.41Å; N65-L69 VanDerWaalsContact O-CG 3.29Å; N65-L69 WeakPolarHBondContact O-CG 3.44Å; N65-L69 PolarHBondContact O-N 2.85Å
66	A	81.4	Confident	79.7	Confident	44 Å²	44	90.4 Å²	90.4	36%	0.364	53%	0.532	S	S	.	.	H	α-helix	trans	-67.2	-40.9	177.5	0	0	0	0	0	111.1	L63 L69 S70	L63-A66 HydrophobicContact CD2-CB 4.47Å; L63-A66 PolarHBondContact O-N 3.26Å; A66-L69 PolarHBondContact O-N 3.45Å; A66-S70 WeakPolarHBondContact O-CB 3.45Å; A66-S70 PolarHBondContact O-N 3.04Å
67	D	80.9	Confident	78.6	Confident	72 Å²	72	92.5 Å²	92.5	39%	0.385	55%	0.55	S	S	.	.	H	α-helix	trans	-62.6	-47.8	175.2	-175.2	72.7	0	0	0	111	L63 L69 S70 R71	L63-D67 PolarHBondContact O-N 3.02Å; D67-L69 PolarHBondContact O-N 3.26Å; D67-S70 PolarHBondContact O-N 2.99Å; D67-S70 PolarHBondContact O-OG 3.38Å; D67-R71 WeakPolarHBondContact O-CG 3.37Å; D67-R71 PolarHBondContact O-N 3.33Å; D67-R71 VanDerWaalsContact O-N 3.09Å; D67-R71 IonicContact OD1-CZ 3.35Å; D67-R71 IonicContact OD1-NE 3.04Å; D67-R71 PolarHBondContact OD1-NE 3.03Å; D67-R71 IonicContact OD1-NH2 3.54Å; D67-R71 PolarHBondContact OD1-NH2 3.26Å; D67-R71 IonicContact OD2-CZ 2.83Å; D67-R71 IonicContact OD2-NE 3.69Å; D67-R71 PolarHBondContact OD2-NE 3.32Å; D67-R71 IonicContact OD2-NH2 2.81Å
68	A	85.2	Confident	77.4	Confident	56 Å²	56	95.8 Å²	95.8	46%	0.463	57%	0.565	S	S	.	*	H	α-helix	trans	-59.7	-44.5	176.8	0	0	0	0	0	112.6	G64 R71 L72	G64-A68 WeakPolarHBondContact O-CB 3.19Å; G64-A68 PolarHBondContact O-N 3.23Å; A68-R71 PolarHBondContact O-N 3Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 PolarHBondContact O-N 2.93Å
69	L	81.1	Confident	76.5	Confident	104 Å²	104	100.3 Å²	100.3	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-65.7	-38.3	176.5	-71.1	174.1	0	0	0	112.1	N65 A66 D67 R71 L72 H74	N65-L69 WeakPolarHBondContact O-CB 3.41Å; N65-L69 VanDerWaalsContact O-CG 3.29Å; N65-L69 WeakPolarHBondContact O-CG 3.44Å; N65-L69 PolarHBondContact O-N 2.85Å; A66-L69 PolarHBondContact O-N 3.45Å; D67-L69 PolarHBondContact O-N 3.26Å; L69-R71 PolarHBondContact O-N 3.45Å; L69-L72 PolarHBondContact O-N 2.81Å; L69-H74 PolarHBondContact O-CE1 3.34Å; L69-H74 PolarHBondContact O-NE2 3.48Å; L69-H74 VanDerWaalsContact O-NE2 3.14Å
70	S	77.9	Confident	75.5	Confident	90 Å²	90	106.2 Å²	106.2	63%	0.629	60%	0.603	S	S	*	*	H	α-helix	trans	-65.5	-26.3	176.8	76.1	0	0	0	0	113.4	A66 D67	A66-S70 WeakPolarHBondContact O-CB 3.45Å; A66-S70 PolarHBondContact O-N 3.04Å; D67-S70 PolarHBondContact O-N 2.99Å; D67-S70 PolarHBondContact O-OG 3.38Å
71	R	78.9	Confident	74.6	Confident	179 Å²	179	110.6 Å²	110.6	68%	0.675	61%	0.613	S	S	*	*	H	α-helix	trans	-95.2	-16.7	180	-66.4	177.2	-167.5	-72.9	-11	113.5	D67 A68 L69 S73	D67-R71 WeakPolarHBondContact O-CG 3.37Å; D67-R71 PolarHBondContact O-N 3.33Å; D67-R71 VanDerWaalsContact O-N 3.09Å; D67-R71 IonicContact OD1-CZ 3.35Å; D67-R71 IonicContact OD1-NE 3.04Å; D67-R71 PolarHBondContact OD1-NE 3.03Å; D67-R71 IonicContact OD1-NH2 3.54Å; D67-R71 PolarHBondContact OD1-NH2 3.26Å; D67-R71 IonicContact OD2-CZ 2.83Å; D67-R71 IonicContact OD2-NE 3.69Å; D67-R71 PolarHBondContact OD2-NE 3.32Å; D67-R71 IonicContact OD2-NH2 2.81Å; A68-R71 PolarHBondContact O-N 3Å; L69-R71 PolarHBondContact O-N 3.45Å; R71-S73 PolarHBondContact O-N 3.16Å; R71-S73 VanDerWaalsContact O-N 3.14Å
72	L	79.8	Confident	73.4	Confident	99 Å²	99	109.3 Å²	109.3	52%	0.518	60%	0.596	S	S	.	*	S	Bend	trans	-63.1	118.9	-178.1	-173.1	64.8	0	0	0	108	A68 L69 H74	A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 PolarHBondContact O-N 2.93Å; L69-L72 PolarHBondContact O-N 2.81Å; L72-H74 PolarHBondContact O-CD2 3.45Å; L72-H74 VanDerWaalsContact O-CG 3.32Å; L72-H74 PolarHBondContact O-N 3.24Å; L72-H74 PolarHBondContact O-ND1 3.22Å
73	S	68.4	Low	72.2	Confident	104 Å²	104	107.9 Å²	107.9	73%	0.727	59%	0.593	S	S	*	*			trans	-62.4	100	177.2	52.5	0	0	0	0	108.9	R71 N75	R71-S73 PolarHBondContact O-N 3.16Å; R71-S73 VanDerWaalsContact O-N 3.14Å; S73-N75 PolarHBondContact O-N 3.05Å
74	H	63.4	Low	70.8	Confident	118 Å²	118	110.7 Å²	110.7	55%	0.546	61%	0.613	S	S	.	*			trans	-79.8	108.8	-173.1	-68.7	-44.6	0	0	0	111.4	L69 L72 A76	L69-H74 PolarHBondContact O-CE1 3.34Å; L69-H74 PolarHBondContact O-NE2 3.48Å; L69-H74 VanDerWaalsContact O-NE2 3.14Å; L72-H74 PolarHBondContact O-CD2 3.45Å; L72-H74 VanDerWaalsContact O-CG 3.32Å; L72-H74 PolarHBondContact O-N 3.24Å; L72-H74 PolarHBondContact O-ND1 3.22Å; H74-A76 HydrophobicContact CB-CB 3.96Å; H74-A76 PolarHBondContact O-N 2.96Å
75	N	64.5	Low	69.4	Low	173 Å²	173	113.5 Å²	113.5	93%	0.925	62%	0.623	S	S	*	*			trans	-75.7	28.4	151.8	-67.8	-27.2	0	0	0	111.1	S73 S77	S73-N75 PolarHBondContact O-N 3.05Å; N75-S77 PolarHBondContact O-N 3.39Å
76	A	63.2	Low	67.9	Low	66 Å²	66	116.3 Å²	116.3	55%	0.545	63%	0.633	S	S	.	*			trans	-71	133.4	-178.3	0	0	0	0	0	108.8	H74 Q78	H74-A76 HydrophobicContact CB-CB 3.96Å; H74-A76 PolarHBondContact O-N 2.96Å; A76-Q78 PolarHBondContact O-N 3.16Å
77	S	64.2	Low	66.5	Low	102 Å²	102	118.4 Å²	118.4	71%	0.713	64%	0.64	S	S	*	*			trans	-48.7	125.3	162.3	45.9	0	0	0	0	107.5	N75 E79	N75-S77 PolarHBondContact O-N 3.39Å; S77-E79 PolarHBondContact O-N 3.46Å
78	Q	62	Low	65.2	Low	195 Å²	195	117.1 Å²	117.1	91%	0.911	63%	0.633	S	S	*	*			trans	-59.9	90.8	172.7	-74.3	179	-8.3	0	0	107.7	A76 Y80	A76-Q78 PolarHBondContact O-N 3.16Å; Q78-Y80 PolarHBondContact O-N 3.43Å
79	E	66	Low	63.9	Low	168 Å²	168	121 Å²	121	79%	0.785	64%	0.64	S	S	*	*			trans	-61.8	112.2	162.1	-78.5	-170.5	171	0	0	105.5	S77 I81	S77-E79 PolarHBondContact O-N 3.46Å; E79-I81 VanDerWaalsContact C-N 3.31Å; E79-I81 PolarHBondContact O-N 3.17Å
80	Y	67.5	Low	62.7	Low	188 Å²	188	122.9 Å²	122.9	74%	0.737	65%	0.649	S	S	*	*			trans	-63.8	99.3	173.3	176.2	-101.8	0	0	0	107.2	Q78 P82	Q78-Y80 PolarHBondContact O-N 3.43Å; Y80-P82 HydrophobicContact CD1-CB 4.31Å; Y80-P82 HydrophobicContact CE1-CB 3.63Å; Y80-P82 HydrophobicContact CE1-CG 4.35Å; Y80-P82 WeakPolarHBondContact O-CD 3.32Å
81	I	63.4	Low	61.8	Low	142 Å²	142	126.5 Å²	126.5	73%	0.728	66%	0.656	S	S	*	*			trans	-78.4	106	163.3	-58.1	174.1	0	0	0	104.5	E79 N83	E79-I81 VanDerWaalsContact C-N 3.31Å; E79-I81 PolarHBondContact O-N 3.17Å; I81-N83 PolarHBondContact O-N 3.44Å
82	P	58.5	Low	60.8	Low	76 Å²	76	122.6 Å²	122.6	49%	0.494	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-54.6	133.6	171.5	20.6	-29	0	0	0	107.7	Y80	Y80-P82 HydrophobicContact CD1-CB 4.31Å; Y80-P82 HydrophobicContact CE1-CB 3.63Å; Y80-P82 HydrophobicContact CE1-CG 4.35Å; Y80-P82 WeakPolarHBondContact O-CD 3.32Å
83	N	58.7	Low	60	Low	108 Å²	108	120.5 Å²	120.5	58%	0.578	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-52.5	131.8	163.3	-71.7	-53.4	0	0	0	106.4	I81	I81-N83 PolarHBondContact O-N 3.44Å
84	P	52.8	Low	60	Low	82 Å²	82	120.6 Å²	120.6	53%	0.532	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-47.1	136.6	168.3	-23.4	31.5	0	0	0	107.9	E86	P84-E86 PolarHBondContact O-N 2.96Å
85	P	53.5	Low	60.6	Low	103 Å²	103	117.7 Å²	117.7	67%	0.669	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-53.9	140.5	-172.3	23.5	-33	0	0	0	108.2	V87	P85-V87 HydrophobicContact CB-CG2 3.83Å; P85-V87 HydrophobicContact CG-CG2 3.79Å; P85-V87 PolarHBondContact O-N 2.96Å
86	E	54.2	Low	61.3	Low	174 Å²	174	114 Å²	114	81%	0.813	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	21	-175.5	-62.6	178.4	150.8	0	0	114.3	P84 L88 F89	P84-E86 PolarHBondContact O-N 2.96Å; E86-L88 PolarHBondContact O-N 2.79Å; E86-F89 VanDerWaalsContact O-CB 3.31Å; E86-F89 WeakPolarHBondContact O-CB 3.34Å; E86-F89 PolarHBondContact O-N 3.1Å
87	V	52.6	Low	62.1	Low	87 Å²	87	114.3 Å²	114.3	53%	0.527	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-48	-33.4	179.9	-179.8	0	0	0	0	112.1	P85 F89 I90	P85-V87 HydrophobicContact CB-CG2 3.83Å; P85-V87 HydrophobicContact CG-CG2 3.79Å; P85-V87 PolarHBondContact O-N 2.96Å; V87-F89 VanDerWaalsContact C-N 3.29Å; V87-F89 PolarHBondContact O-N 3.46Å; V87-I90 PolarHBondContact O-N 2.84Å
88	L	54.3	Low	63.3	Low	46 Å²	46	110.9 Å²	110.9	24%	0.241	58%	0.581	C	S	.	*	H	α-helix	trans	-69.7	-21.6	177.2	-104.1	91.8	0	0	0	115.1	L42 I46 E86 I90 E91 E92	L42-L88 HydrophobicContact CD1-CD2 4.05Å; L42-L88 HydrophobicContact CD2-CD2 3.7Å; L42-L88 HydrophobicContact CG-CD2 3.84Å; I46-L88 HydrophobicContact CD1-CD1 3.16Å; I46-L88 HydrophobicContact CD1-CD2 3.58Å; I46-L88 HydrophobicContact CD1-CG 3.95Å; I46-L88 HydrophobicContact CG1-CD1 3.91Å; I46-L88 HydrophobicContact CG1-CD2 4.36Å; E86-L88 PolarHBondContact O-N 2.79Å; L88-I90 PolarHBondContact O-N 3.32Å; L88-I90 VanDerWaalsContact O-N 3.08Å; L88-E91 PolarHBondContact O-N 2.96Å; L88-E92 HydrophobicContact CD2-CG 4.21Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.48Å; L88-E92 WeakPolarHBondContact O-CB 3.41Å; L88-E92 WeakPolarHBondContact O-CG 3.46Å; L88-E92 PolarHBondContact O-N 3.48Å
89	F	56.3	Low	64.7	Low	137 Å²	137	104.6 Å²	104.6	60%	0.601	56%	0.556	S	S	*	*	H	α-helix	trans	-63.7	-18.1	177.3	-144.8	-96.5	0	0	0	111.9	E86 V87 L93	E86-F89 VanDerWaalsContact O-CB 3.31Å; E86-F89 WeakPolarHBondContact O-CB 3.34Å; E86-F89 PolarHBondContact O-N 3.1Å; V87-F89 VanDerWaalsContact C-N 3.29Å; V87-F89 PolarHBondContact O-N 3.46Å; F89-L93 HydrophobicContact CE1-CD2 4.15Å; F89-L93 WeakPolarHBondContact O-CG 3.24Å
90	I	56.3	Low	66	Low	144 Å²	144	99.4 Å²	99.4	74%	0.738	54%	0.542	S	S	*	.	H	α-helix	trans	-77.2	-37.6	174.8	-58	174.6	0	0	0	111.3	V87 L88	V87-I90 PolarHBondContact O-N 2.84Å; L88-I90 PolarHBondContact O-N 3.32Å; L88-I90 VanDerWaalsContact O-N 3.08Å
91	E	58.9	Low	67.3	Low	166 Å²	166	95.5 Å²	95.5	78%	0.776	53%	0.534	S	S	*	.	H	α-helix	trans	-88.5	-24.2	-175.9	-65.2	-171.5	168.5	0	0	113.2	L88	L88-E91 PolarHBondContact O-N 2.96Å
92	E	58.2	Low	68.8	Low	97 Å²	97	91.4 Å²	91.4	45%	0.453	51%	0.513	S	S	.	.			trans	-84	-11.4	-173.8	-76.4	175.1	-163.3	0	0	115.2	L42 L88 P94	L42-E92 WeakPolarHBondContact CD2-OE1 3.47Å; L88-E92 HydrophobicContact CD2-CG 4.21Å; L88-E92 WeakPolarHBondContact CD2-OE1 3.48Å; L88-E92 WeakPolarHBondContact O-CB 3.41Å; L88-E92 WeakPolarHBondContact O-CG 3.46Å; L88-E92 PolarHBondContact O-N 3.48Å; E92-P94 WeakPolarHBondContact O-CD 3.38Å; E92-P94 VanDerWaalsContact O-N 3.16Å
93	L	63.5	Low	70.6	Confident	55 Å²	55	88 Å²	88	29%	0.288	49%	0.491	S	S	.	.			trans	-72.1	113.4	-176.1	-68.8	177.4	0	0	0	110.1	F89 S95 L171	F89-L93 HydrophobicContact CE1-CD2 4.15Å; F89-L93 WeakPolarHBondContact O-CG 3.24Å; L93-S95 PolarHBondContact O-N 3.28Å; L93-S95 VanDerWaalsContact O-N 3.12Å; L93-L171 HydrophobicContact CD2-CD1 3.8Å
94	P	68.8	Low	72.3	Confident	106 Å²	106	83.1 Å²	83.1	69%	0.688	47%	0.466	S	S	*	.	S	Bend	trans	-65.5	-20	-178.9	27.7	-35.1	0	0	0	112.3	E92 L171	E92-P94 WeakPolarHBondContact O-CD 3.38Å; E92-P94 VanDerWaalsContact O-N 3.16Å; P94-L171 HydrophobicContact CG-CD2 3.57Å
95	S	74.7	Confident	74.4	Confident	57 Å²	57	83.5 Å²	83.5	40%	0.399	46%	0.46	S	S	.	.	S	Bend	trans	-145.1	151.9	175.3	61.3	0	0	0	0	109.5	L93	L93-S95 PolarHBondContact O-N 3.28Å; L93-S95 VanDerWaalsContact O-N 3.12Å
96	P	79.2	Confident	76.4	Confident	96 Å²	96	80.4 Å²	80.4	62%	0.623	44%	0.438	S	S	*	.			trans	-55.7	148.4	174.9	24.6	-34.4	0	0	0	110.8	R164	P96-R164 PolarHBondContact O-NH2 3.47Å
97	P	81.2	Confident	78.4	Confident	72 Å²	72	72.1 Å²	72.1	47%	0.468	40%	0.399	S	S	.	.			trans	-65.6	148.7	178.7	27.9	-34	0	0	0	111	T99 R164	P97-T99 PolarHBondContact O-N 2.88Å; P97-T99 VanDerWaalsContact O-N 3.13Å; P97-R164 VanDerWaalsContact C-NH2 3.25Å; P97-R164 PolarHBondContact O-NH2 2.9Å; P97-R164 VanDerWaalsContact O-NH2 3.07Å
98	L	87.7	Confident	80.4	Confident	29 Å²	29	72.9 Å²	72.9	15%	0.152	40%	0.398	C	S	.	.			trans	-62.8	112.9	174.2	-177.1	66.8	0	0	0	110.2	D102 V103 L106 I157 V165 E168	L98-D102 HydrophobicContact CD1-CB 3.54Å; L98-V103 HydrophobicContact CD1-CG2 4.34Å; L98-V103 HydrophobicContact CD2-CG2 3.72Å; L98-V103 HydrophobicContact CG-CG2 3.82Å; L98-L106 HydrophobicContact CD1-CD1 4.34Å; L98-I157 HydrophobicContact CD2-CD1 4.47Å; L98-V165 HydrophobicContact CD2-CG2 3.57Å; L98-E168 PolarHBondContact N-OE1 2.9Å
99	T	92.4	Very high	82.3	Confident	64 Å²	64	79.7 Å²	79.7	39%	0.393	42%	0.421	S	S	.	.			trans	-84.9	159.6	-177.3	71.1	0	0	0	0	111.7	P97 N101 D102 V103	P97-T99 PolarHBondContact O-N 2.88Å; P97-T99 VanDerWaalsContact O-N 3.13Å; T99-N101 PolarHBondContact O-N 3.18Å; T99-D102 PolarHBondContact N-OD2 3.04Å; T99-D102 WeakPolarHBondContact O-CB 3.37Å; T99-D102 PolarHBondContact O-N 3.43Å; T99-D102 VanDerWaalsContact O-N 3.09Å; T99-D102 PolarHBondContact OG1-N 2.82Å; T99-D102 PolarHBondContact OG1-OD1 3.02Å; T99-D102 PolarHBondContact OG1-OD2 3.4Å; T99-V103 PolarHBondContact O-N 2.85Å
100	A	93	Very high	84.2	Confident	58 Å²	58	74 Å²	74	48%	0.479	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-34	173.4	0	0	0	0	0	112.5	V103 A104 C148	A100-V103 PolarHBondContact O-N 2.8Å; A100-A104 WeakPolarHBondContact O-CB 3.41Å; A100-A104 PolarHBondContact O-N 3.44Å; A100-C148 PolarHBondContact O-SG 3.24Å
101	N	94.7	Very high	86	Confident	107 Å²	107	72 Å²	72	57%	0.572	39%	0.393	S	S	*	.	H	α-helix	trans	-67.8	-39.5	176.3	-169.5	33.8	0	0	0	111.3	T99 A104 Q105	T99-N101 PolarHBondContact O-N 3.18Å; N101-A104 PolarHBondContact O-N 2.98Å; N101-Q105 WeakPolarHBondContact O-CG 3.38Å; N101-Q105 PolarHBondContact O-N 3.09Å
102	D	94.9	Very high	87.7	Confident	55 Å²	55	66.4 Å²	66.4	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-47.8	174.6	-59.4	-35	0	0	0	110.7	L98 T99 A104 Q105 L106 R164	L98-D102 HydrophobicContact CD1-CB 3.54Å; T99-D102 PolarHBondContact N-OD2 3.04Å; T99-D102 WeakPolarHBondContact O-CB 3.37Å; T99-D102 PolarHBondContact O-N 3.43Å; T99-D102 VanDerWaalsContact O-N 3.09Å; T99-D102 PolarHBondContact OG1-N 2.82Å; T99-D102 PolarHBondContact OG1-OD1 3.02Å; T99-D102 PolarHBondContact OG1-OD2 3.4Å; D102-A104 VanDerWaalsContact C-N 3.35Å; D102-A104 PolarHBondContact O-N 3.13Å; D102-Q105 PolarHBondContact O-N 2.91Å; D102-L106 VanDerWaalsContact O-CG 3.27Å; D102-L106 WeakPolarHBondContact O-CG 3.32Å; D102-L106 PolarHBondContact O-N 3.35Å; D102-R164 IonicContact OD2-NH1 2.75Å; D102-R164 IonicContact OD2-NH2 3.49Å
103	V	96.2	Very high	89.5	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-58.2	-47.8	176.8	178.2	0	0	0	0	110.6	L98 T99 A100 Q105 L106 T107 V155 I157	L98-V103 HydrophobicContact CD1-CG2 4.34Å; L98-V103 HydrophobicContact CD2-CG2 3.72Å; L98-V103 HydrophobicContact CG-CG2 3.82Å; T99-V103 PolarHBondContact O-N 2.85Å; A100-V103 PolarHBondContact O-N 2.8Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.19Å; V103-L106 PolarHBondContact O-N 3.41Å; V103-L106 VanDerWaalsContact O-N 3.16Å; V103-T107 WeakPolarHBondContact O-CB 3.4Å; V103-T107 PolarHBondContact O-N 2.83Å; V103-T107 PolarHBondContact O-OG1 3.12Å; V103-V155 HydrophobicContact CG1-CG1 3.82Å; V103-I157 HydrophobicContact CG1-CD1 4.48Å; V103-I157 HydrophobicContact CG2-CD1 4.18Å
104	A	95.8	Very high	91	Very high	4 Å²	4	60.9 Å²	60.9	3%	0.033	34%	0.344	C	S	.	.	H	α-helix	trans	-57.1	-43.3	178	0	0	0	0	0	112.6	A100 N101 D102 T107 M108 K147	A100-A104 WeakPolarHBondContact O-CB 3.41Å; A100-A104 PolarHBondContact O-N 3.44Å; N101-A104 PolarHBondContact O-N 2.98Å; D102-A104 VanDerWaalsContact C-N 3.35Å; D102-A104 PolarHBondContact O-N 3.13Å; A104-T107 PolarHBondContact O-N 3.1Å; A104-M108 VanDerWaalsContact O-CG 3.3Å; A104-M108 WeakPolarHBondContact O-CG 3.27Å; A104-M108 PolarHBondContact O-N 3.25Å; A104-K147 HydrophobicContact CB-CB 3.94Å
105	Q	96.3	Very high	92.3	Very high	91 Å²	91	61.4 Å²	61.4	43%	0.425	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-42.1	176.9	-67.7	-63.7	-26.3	0	0	111.9	N101 D102 V103 M108 R109	N101-Q105 WeakPolarHBondContact O-CG 3.38Å; N101-Q105 PolarHBondContact O-N 3.09Å; D102-Q105 PolarHBondContact O-N 2.91Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.19Å; Q105-M108 PolarHBondContact O-N 3.23Å; Q105-R109 WeakPolarHBondContact O-CG 3.49Å; Q105-R109 PolarHBondContact O-N 3.38Å
106	L	96.1	Very high	93.4	Very high	38 Å²	38	58.7 Å²	58.7	20%	0.199	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-42	177.2	-65.6	173	0	0	0	111.4	L98 D102 V103 M108 R109 D110 P158	L98-L106 HydrophobicContact CD1-CD1 4.34Å; D102-L106 VanDerWaalsContact O-CG 3.27Å; D102-L106 WeakPolarHBondContact O-CG 3.32Å; D102-L106 PolarHBondContact O-N 3.35Å; V103-L106 PolarHBondContact O-N 3.41Å; V103-L106 VanDerWaalsContact O-N 3.16Å; L106-M108 VanDerWaalsContact C-N 3.32Å; L106-M108 PolarHBondContact O-N 2.95Å; L106-R109 PolarHBondContact O-N 3.21Å; L106-R109 VanDerWaalsContact O-N 3.16Å; L106-D110 PolarHBondContact O-N 2.94Å; L106-P158 HydrophobicContact CB-CB 4.3Å; L106-P158 HydrophobicContact CB-CG 3.37Å; L106-P158 HydrophobicContact CD1-CG 4.37Å; L106-P158 HydrophobicContact CG-CG 4.5Å
107	T	95.7	Very high	94.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-40.6	176.2	-63.3	0	0	0	0	111.7	V103 A104 R109 D110 L113 S114	V103-T107 WeakPolarHBondContact O-CB 3.4Å; V103-T107 PolarHBondContact O-N 2.83Å; V103-T107 PolarHBondContact O-OG1 3.12Å; A104-T107 PolarHBondContact O-N 3.1Å; T107-R109 VanDerWaalsContact C-N 3.3Å; T107-R109 PolarHBondContact O-N 3.38Å; T107-D110 PolarHBondContact O-N 3.49Å; T107-L113 HydrophobicContact CG2-CB 3.92Å; T107-S114 PolarHBondContact O-N 3.31Å
108	M	93.6	Very high	94.8	Very high	103 Å²	103	53.8 Å²	53.8	51%	0.507	28%	0.278	S	S	.	.	H	α-helix	trans	-67.6	-29.9	177.1	-74.3	-62.4	-57.8	0	0	113.1	A104 Q105 L106 L117	A104-M108 VanDerWaalsContact O-CG 3.3Å; A104-M108 WeakPolarHBondContact O-CG 3.27Å; A104-M108 PolarHBondContact O-N 3.25Å; Q105-M108 PolarHBondContact O-N 3.23Å; L106-M108 VanDerWaalsContact C-N 3.32Å; L106-M108 PolarHBondContact O-N 2.95Å; M108-L117 HydrophobicContact SD-CD2 3.74Å
109	R	95.2	Very high	95.2	Very high	188 Å²	188	53.8 Å²	53.8	71%	0.709	28%	0.276	S	S	*	.	H	α-helix	trans	-82.9	-24	177.1	-69.8	175.8	178.6	159.1	0.8	113	Q105 L106 T107 P111	Q105-R109 WeakPolarHBondContact O-CG 3.49Å; Q105-R109 PolarHBondContact O-N 3.38Å; L106-R109 PolarHBondContact O-N 3.21Å; L106-R109 VanDerWaalsContact O-N 3.16Å; T107-R109 VanDerWaalsContact C-N 3.3Å; T107-R109 PolarHBondContact O-N 3.38Å; R109-P111 WeakPolarHBondContact O-CD 3.44Å
110	D	95.9	Very high	95.4	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.091	27%	0.267	C	S	.	.			trans	-75.4	117.5	178.5	-173.4	-41.7	0	0	0	110.5	L106 T107 Q112 L113 S114 P158	L106-D110 PolarHBondContact O-N 2.94Å; T107-D110 PolarHBondContact O-N 3.49Å; D110-Q112 VanDerWaalsContact C-N 3.29Å; D110-Q112 PolarHBondContact O-N 2.75Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.22Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.39Å; D110-Q112 PolarHBondContact OD1-N 3.07Å; D110-L113 HydrophobicContact CB-CB 4.13Å; D110-L113 HydrophobicContact CB-CG 4.47Å; D110-L113 PolarHBondContact O-N 2.7Å; D110-L113 PolarHBondContact OD1-N 2.85Å; D110-L113 VanDerWaalsContact OD1-N 3.1Å; D110-S114 WeakPolarHBondContact O-CB 3.39Å; D110-S114 PolarHBondContact O-N 3.31Å; D110-S114 PolarHBondContact O-OG 3.28Å; D110-P158 HydrophobicContact CB-CB 3.98Å; D110-P158 WeakPolarHBondContact OD2-CB 3.47Å
111	P	93.8	Very high	95.4	Very high	102 Å²	102	56.8 Å²	56.8	66%	0.662	27%	0.271	S	S	*	.	H	α-helix	trans	-63.2	-30.8	-178.9	-23.3	34.5	0	0	0	114.2	R109 S114 R115	R109-P111 WeakPolarHBondContact O-CD 3.44Å; P111-S114 PolarHBondContact O-OG 2.88Å; P111-R115 WeakPolarHBondContact O-CB 3.45Å
112	Q	94.8	Very high	95.3	Very high	49 Å²	49	59.7 Å²	59.7	23%	0.229	28%	0.279	C	S	.	.	H	α-helix	trans	-76.6	-51.9	178.1	-63.9	-168.1	-90.9	0	0	109.8	D110 R115 V116 G131 F132	D110-Q112 VanDerWaalsContact C-N 3.29Å; D110-Q112 PolarHBondContact O-N 2.75Å; D110-Q112 WeakPolarHBondContact OD1-CA 3.22Å; D110-Q112 WeakPolarHBondContact OD1-CB 3.39Å; D110-Q112 PolarHBondContact OD1-N 3.07Å; Q112-R115 PolarHBondContact O-N 2.86Å; Q112-V116 WeakPolarHBondContact O-CG2 3.4Å; Q112-V116 PolarHBondContact O-N 3.14Å; Q112-G131 PolarHBondContact NE2-O 3.05Å; Q112-F132 HydrophobicContact CB-CE1 3.96Å; Q112-F132 HydrophobicContact CB-CZ 4.36Å; Q112-F132 HydrophobicContact CG-CE1 4.35Å; Q112-F132 HydrophobicContact CG-CZ 4.32Å
113	L	96.4	Very high	95.3	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-71.9	-34	-176	-64.1	-165.9	0	0	0	113.3	T107 D110 R115 V116 L117 Y135 L149 V156 P158	T107-L113 HydrophobicContact CG2-CB 3.92Å; D110-L113 HydrophobicContact CB-CB 4.13Å; D110-L113 HydrophobicContact CB-CG 4.47Å; D110-L113 PolarHBondContact O-N 2.7Å; D110-L113 PolarHBondContact OD1-N 2.85Å; D110-L113 VanDerWaalsContact OD1-N 3.1Å; L113-R115 VanDerWaalsContact C-N 3.26Å; L113-R115 PolarHBondContact O-N 3.31Å; L113-V116 PolarHBondContact O-N 3.17Å; L113-L117 VanDerWaalsContact O-CB 3.29Å; L113-L117 WeakPolarHBondContact O-CB 3.26Å; L113-L117 PolarHBondContact O-N 3.37Å; L113-Y135 HydrophobicContact CD2-CD1 4.36Å; L113-Y135 HydrophobicContact CD2-CE1 3.46Å; L113-Y135 VanDerWaalsContact CD2-CE1 3.46Å; L113-Y135 HydrophobicContact CD2-CE2 4.46Å; L113-Y135 WeakPolarHBondContact CD2-OH 3.33Å; L113-L149 HydrophobicContact CD2-CD2 4.31Å; L113-V156 HydrophobicContact CD1-CG1 4.07Å; L113-V156 HydrophobicContact CD2-CG1 4.02Å; L113-P158 VanDerWaalsContact CD1-CA 3.46Å; L113-P158 HydrophobicContact CD1-CB 3.76Å; L113-P158 HydrophobicContact CD1-CG 4.44Å
114	S	95.6	Very high	95.3	Very high	37 Å²	37	61.6 Å²	61.6	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-35.9	173.3	59	0	0	0	0	112.1	T107 D110 P111 L117 N118	T107-S114 PolarHBondContact O-N 3.31Å; D110-S114 WeakPolarHBondContact O-CB 3.39Å; D110-S114 PolarHBondContact O-N 3.31Å; D110-S114 PolarHBondContact O-OG 3.28Å; P111-S114 PolarHBondContact O-OG 2.88Å; S114-L117 WeakPolarHBondContact O-CB 3.41Å; S114-N118 PolarHBondContact O-N 3.47Å
115	R	95.5	Very high	95.2	Very high	116 Å²	116	62.7 Å²	62.7	44%	0.438	30%	0.301	S	S	.	.	H	α-helix	trans	-67.9	-45.4	173.4	-172.5	176	-65.4	-169.1	-2	111.7	P111 Q112 L113 L117 N118 W119 E129 F132	P111-R115 WeakPolarHBondContact O-CB 3.45Å; Q112-R115 PolarHBondContact O-N 2.86Å; L113-R115 VanDerWaalsContact C-N 3.26Å; L113-R115 PolarHBondContact O-N 3.31Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 3.41Å; R115-N118 WeakPolarHBondContact O-CB 3.4Å; R115-N118 PolarHBondContact O-N 2.87Å; R115-N118 VanDerWaalsContact O-N 3.14Å; R115-W119 VanDerWaalsContact CD-CH2 3.47Å; R115-W119 HydrophobicContact CG-CD2 4.12Å; R115-W119 HydrophobicContact CG-CE3 4.34Å; R115-W119 HydrophobicContact CG-CH2 3.74Å; R115-W119 HydrophobicContact CG-CZ2 3.49Å; R115-W119 VanDerWaalsContact CG-CZ2 3.49Å; R115-W119 HydrophobicContact CG-CZ3 4.17Å; R115-W119 PolarHBondContact O-N 2.98Å; R115-E129 IonicContact CZ-OE2 3.89Å; R115-E129 IonicContact NH1-OE2 2.81Å; R115-E129 PolarHBondContact NH1-OE2 3.14Å; R115-F132 HydrophobicContact CB-CE1 4.34Å; R115-F132 HydrophobicContact CB-CZ 4.44Å
116	V	96.7	Very high	95.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-43.5	174.8	175	0	0	0	0	111	Q112 L113 N118 W119 V120 W124 F132 Y135 L142 L149	Q112-V116 WeakPolarHBondContact O-CG2 3.4Å; Q112-V116 PolarHBondContact O-N 3.14Å; L113-V116 PolarHBondContact O-N 3.17Å; V116-N118 VanDerWaalsContact C-N 3.26Å; V116-N118 PolarHBondContact O-N 3.28Å; V116-W119 HydrophobicContact CG2-CE3 4.17Å; V116-W119 HydrophobicContact CG2-CZ3 4.21Å; V116-W119 PolarHBondContact O-N 2.99Å; V116-W119 VanDerWaalsContact O-N 3.13Å; V116-V120 HydrophobicContact CG1-CG2 4.43Å; V116-V120 WeakPolarHBondContact O-CG2 3.16Å; V116-V120 PolarHBondContact O-N 3.42Å; V116-W124 HydrophobicContact CG1-CH2 3.75Å; V116-W124 HydrophobicContact CG1-CZ2 4.21Å; V116-F132 HydrophobicContact CG2-CD1 3.8Å; V116-F132 HydrophobicContact CG2-CE1 4.07Å; V116-Y135 HydrophobicContact CG1-CD1 4.39Å; V116-Y135 HydrophobicContact CG2-CD1 4.29Å; V116-Y135 HydrophobicContact CG2-CD2 4.11Å; V116-Y135 HydrophobicContact CG2-CG 3.88Å; V116-L142 HydrophobicContact CG1-CD1 4.15Å; V116-L149 HydrophobicContact CB-CD2 4.28Å; V116-L149 HydrophobicContact CG1-CD1 4.19Å; V116-L149 HydrophobicContact CG1-CD2 3.56Å
117	L	95.4	Very high	94.9	Very high	3 Å²	3	71.1 Å²	71.1	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-55.8	-42.9	175.1	-169.2	78.3	0	0	0	111.1	M108 L113 S114 R115 V120 W121 V144 L149	M108-L117 HydrophobicContact SD-CD2 3.74Å; L113-L117 VanDerWaalsContact O-CB 3.29Å; L113-L117 WeakPolarHBondContact O-CB 3.26Å; L113-L117 PolarHBondContact O-N 3.37Å; S114-L117 WeakPolarHBondContact O-CB 3.41Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 3.41Å; L117-V120 PolarHBondContact O-N 2.71Å; L117-W121 HydrophobicContact CD1-CZ2 4.49Å; L117-W121 HydrophobicContact CD2-CH2 3.96Å; L117-W121 HydrophobicContact CD2-CZ2 4.34Å; L117-W121 HydrophobicContact CD2-CZ3 4.31Å; L117-W121 HydrophobicContact CG-CH2 4.26Å; L117-W121 HydrophobicContact CG-CZ2 4.26Å; L117-W121 HydrophobicContact CG-CZ3 4.5Å; L117-W121 PolarHBondContact O-N 3.29Å; L117-V144 HydrophobicContact CD1-CB 4.32Å; L117-V144 HydrophobicContact CD1-CG1 3.74Å; L117-V144 HydrophobicContact CD1-CG2 3.54Å; L117-L149 HydrophobicContact CD1-CB 4.49Å
118	N	95.2	Very high	94.8	Very high	63 Å²	63	73.1 Å²	73.1	34%	0.337	36%	0.362	S	S	.	.	H	α-helix	trans	-64.2	-43.4	176.3	-161.7	-96.2	0	0	0	112.6	S114 R115 V116 V120 W121 K122	S114-N118 PolarHBondContact O-N 3.47Å; R115-N118 WeakPolarHBondContact O-CB 3.4Å; R115-N118 PolarHBondContact O-N 2.87Å; R115-N118 VanDerWaalsContact O-N 3.14Å; V116-N118 VanDerWaalsContact C-N 3.26Å; V116-N118 PolarHBondContact O-N 3.28Å; N118-V120 VanDerWaalsContact C-N 3.35Å; N118-W121 PolarHBondContact O-N 3.23Å; N118-K122 WeakPolarHBondContact O-CB 3.34Å; N118-K122 PolarHBondContact O-N 3Å; N118-K122 WeakPolarHBondContact OD1-CD 3.39Å
119	W	96.3	Very high	94.7	Very high	28 Å²	28	71.6 Å²	71.6	11%	0.106	35%	0.354	C	S	.	.	H	α-helix	trans	-65.6	-35.5	177.5	-68	-32.4	0	0	0	113.1	R115 V116 W121 G123 W124 P125 E129 F132	R115-W119 VanDerWaalsContact CD-CH2 3.47Å; R115-W119 HydrophobicContact CG-CD2 4.12Å; R115-W119 HydrophobicContact CG-CE3 4.34Å; R115-W119 HydrophobicContact CG-CH2 3.74Å; R115-W119 HydrophobicContact CG-CZ2 3.49Å; R115-W119 VanDerWaalsContact CG-CZ2 3.49Å; R115-W119 HydrophobicContact CG-CZ3 4.17Å; R115-W119 PolarHBondContact O-N 2.98Å; V116-W119 HydrophobicContact CG2-CE3 4.17Å; V116-W119 HydrophobicContact CG2-CZ3 4.21Å; V116-W119 PolarHBondContact O-N 2.99Å; V116-W119 VanDerWaalsContact O-N 3.13Å; W119-W121 PolarHBondContact O-N 3.3Å; W119-G123 WeakPolarHBondContact CA-O 3.17Å; W119-G123 CarbonylContact O-C 3.05Å; W119-G123 WeakPolarHBondContact O-CA 3.39Å; W119-G123 PolarHBondContact O-N 3.49Å; W119-W124 HydrophobicContact CB-CD2 3.97Å; W119-W124 HydrophobicContact CB-CE3 4.13Å; W119-W124 HydrophobicContact CB-CG 4.32Å; W119-W124 HydrophobicContact CD2-CE3 4.4Å; W119-W124 AromaticContact CE3-CE3 3.92Å; W119-W124 HydrophobicContact CE3-CE3 3.92Å; W119-W124 HydrophobicContact CE3-CH2 4.5Å; W119-W124 AromaticContact CE3-CZ3 3.72Å; W119-W124 HydrophobicContact CE3-CZ3 3.72Å; W119-W124 HydrophobicContact CZ3-CZ3 4.35Å; W119-P125 HydrophobicContact CD2-CG 4.43Å; W119-P125 HydrophobicContact CZ2-CG 4.16Å; W119-E129 HydrophobicContact CH2-CB 4.3Å; W119-E129 HydrophobicContact CH2-CG 4.23Å; W119-E129 VanDerWaalsContact CZ2-CD 3.48Å; W119-E129 HydrophobicContact CZ2-CG 4.3Å; W119-E129 WeakPolarHBondContact CZ2-OE1 3.5Å; W119-F132 HydrophobicContact CH2-CB 4.31Å; W119-F132 AromaticContact CH2-CD1 3.86Å; W119-F132 HydrophobicContact CH2-CD1 3.86Å; W119-F132 AromaticContact CH2-CD2 3.93Å; W119-F132 HydrophobicContact CH2-CD2 3.93Å; W119-F132 HydrophobicContact CH2-CE1 4.08Å; W119-F132 HydrophobicContact CH2-CE2 4.15Å; W119-F132 AromaticContact CH2-CG 3.76Å; W119-F132 HydrophobicContact CH2-CG 3.76Å; W119-F132 HydrophobicContact CH2-CZ 4.22Å; W119-F132 HydrophobicContact CZ3-CB 4Å; W119-F132 AromaticContact CZ3-CD1 3.46Å; W119-F132 HydrophobicContact CZ3-CD1 3.46Å; W119-F132 VanDerWaalsContact CZ3-CD1 3.46Å; W119-F132 HydrophobicContact CZ3-CD2 4.31Å; W119-F132 AromaticContact CZ3-CE1 3.93Å; W119-F132 HydrophobicContact CZ3-CE1 3.93Å; W119-F132 AromaticContact CZ3-CG 3.66Å; W119-F132 HydrophobicContact CZ3-CG 3.66Å
120	V	95.6	Very high	94.6	Very high	35 Å²	35	68.8 Å²	68.8	21%	0.212	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-32.7	174.6	178.2	0	0	0	0	111.3	V116 L117 N118 W124 L142 V144 L149	V116-V120 HydrophobicContact CG1-CG2 4.43Å; V116-V120 WeakPolarHBondContact O-CG2 3.16Å; V116-V120 PolarHBondContact O-N 3.42Å; L117-V120 PolarHBondContact O-N 2.71Å; N118-V120 VanDerWaalsContact C-N 3.35Å; V120-W124 HydrophobicContact CG2-CZ2 3.69Å; V120-L142 HydrophobicContact CG2-CB 3.99Å; V120-V144 HydrophobicContact CB-CG2 4.02Å; V120-V144 HydrophobicContact CG1-CG2 3.7Å; V120-L149 HydrophobicContact CG2-CD1 3.86Å
121	W	93	Very high	94.3	Very high	151 Å²	151	70.1 Å²	70.1	57%	0.572	38%	0.375	S	S	*	.	H	α-helix	trans	-82.2	-43.2	176.8	-69.7	-20.4	0	0	0	114.6	L117 N118 W119 V144	L117-W121 HydrophobicContact CD1-CZ2 4.49Å; L117-W121 HydrophobicContact CD2-CH2 3.96Å; L117-W121 HydrophobicContact CD2-CZ2 4.34Å; L117-W121 HydrophobicContact CD2-CZ3 4.31Å; L117-W121 HydrophobicContact CG-CH2 4.26Å; L117-W121 HydrophobicContact CG-CZ2 4.26Å; L117-W121 HydrophobicContact CG-CZ3 4.5Å; L117-W121 PolarHBondContact O-N 3.29Å; N118-W121 PolarHBondContact O-N 3.23Å; W119-W121 PolarHBondContact O-N 3.3Å; W121-V144 HydrophobicContact CZ2-CG1 3.82Å
122	K	94	Very high	94.4	Very high	168 Å²	168	66 Å²	66	73%	0.73	35%	0.347	S	S	*	.	H	α-helix	trans	-99	-14.7	-171	-62.4	-168.4	-174.6	179.7	0	114	N118	N118-K122 WeakPolarHBondContact O-CB 3.34Å; N118-K122 PolarHBondContact O-N 3Å; N118-K122 WeakPolarHBondContact OD1-CD 3.39Å
123	G	94.7	Very high	94.4	Very high	41 Å²	41	68.2 Å²	68.2	42%	0.423	36%	0.357	S	S	.	.			trans	112.7	148.8	-171.4	0	0	0	0	0	112.3	W119	W119-G123 WeakPolarHBondContact CA-O 3.17Å; W119-G123 CarbonylContact O-C 3.05Å; W119-G123 WeakPolarHBondContact O-CA 3.39Å; W119-G123 PolarHBondContact O-N 3.49Å
124	W	95.8	Very high	94.4	Very high	59 Å²	59	70 Å²	70	22%	0.223	37%	0.372	C	S	.	.			trans	-83.3	148.5	179.5	-71.3	83.5	0	0	0	111.4	V116 W119 V120 F136 R139 L142	V116-W124 HydrophobicContact CG1-CH2 3.75Å; V116-W124 HydrophobicContact CG1-CZ2 4.21Å; W119-W124 HydrophobicContact CB-CD2 3.97Å; W119-W124 HydrophobicContact CB-CE3 4.13Å; W119-W124 HydrophobicContact CB-CG 4.32Å; W119-W124 HydrophobicContact CD2-CE3 4.4Å; W119-W124 AromaticContact CE3-CE3 3.92Å; W119-W124 HydrophobicContact CE3-CE3 3.92Å; W119-W124 HydrophobicContact CE3-CH2 4.5Å; W119-W124 AromaticContact CE3-CZ3 3.72Å; W119-W124 HydrophobicContact CE3-CZ3 3.72Å; W119-W124 HydrophobicContact CZ3-CZ3 4.35Å; V120-W124 HydrophobicContact CG2-CZ2 3.69Å; W124-F136 AromaticContact CE3-CD2 3.97Å; W124-F136 HydrophobicContact CE3-CD2 3.97Å; W124-F136 HydrophobicContact CZ3-CD2 4.42Å; W124-R139 HydrophobicContact CD2-CB 3.59Å; W124-R139 HydrophobicContact CE3-CB 4.01Å; W124-R139 HydrophobicContact CG-CB 4.05Å; W124-R139 HydrophobicContact CH2-CB 4Å; W124-R139 HydrophobicContact CZ2-CB 3.6Å; W124-R139 HydrophobicContact CZ3-CB 4.2Å; W124-L142 HydrophobicContact CH2-CD1 3.62Å; W124-L142 HydrophobicContact CZ2-CB 4.36Å; W124-L142 HydrophobicContact CZ2-CD1 3.59Å
125	P	94.2	Very high	94.4	Very high	28 Å²	28	68.9 Å²	68.9	18%	0.182	36%	0.362	C	S	.	.			trans	-62.8	155.4	171.1	27.8	-34.7	0	0	0	111	W119 K127 F136	W119-P125 HydrophobicContact CD2-CG 4.43Å; W119-P125 HydrophobicContact CZ2-CG 4.16Å; P125-K127 PolarHBondContact O-N 2.95Å; P125-F136 WeakPolarHBondContact O-CE2 3.37Å
126	P	92.8	Very high	94.5	Very high	133 Å²	133	65 Å²	65	86%	0.864	35%	0.348	S	S	*	.	S	Bend	trans	-67.3	-24.6	-179	26.7	-34.8	0	0	0	113.2
127	K	93.9	Very high	94.5	Very high	173 Å²	173	70.3 Å²	70.3	75%	0.752	38%	0.381	S	S	*	.	S	Bend	trans	-128.9	146.4	177.8	-65.2	-176.8	-179.8	-179.9	0	109.6	P125 E129	P125-K127 PolarHBondContact O-N 2.95Å; K127-E129 PolarHBondContact O-N 3.14Å
128	S	92	Very high	94.5	Very high	42 Å²	42	72.5 Å²	72.5	29%	0.294	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-63.9	130	175	-175.5	0	0	0	0	110.6	Q133	S128-Q133 WeakPolarHBondContact OG-CA 3.48Å; S128-Q133 PolarHBondContact OG-N 3.08Å
129	E	92.7	Very high	94.5	Very high	70 Å²	70	73.6 Å²	73.6	33%	0.327	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-70.5	159.1	164.9	-69.4	-177.3	-169.5	0	0	110.9	R115 W119 K127 G131 F132	R115-E129 IonicContact CZ-OE2 3.89Å; R115-E129 IonicContact NH1-OE2 2.81Å; R115-E129 PolarHBondContact NH1-OE2 3.14Å; W119-E129 HydrophobicContact CH2-CB 4.3Å; W119-E129 HydrophobicContact CH2-CG 4.23Å; W119-E129 VanDerWaalsContact CZ2-CD 3.48Å; W119-E129 HydrophobicContact CZ2-CG 4.3Å; W119-E129 WeakPolarHBondContact CZ2-OE1 3.5Å; K127-E129 PolarHBondContact O-N 3.14Å; E129-G131 PolarHBondContact O-N 3.08Å; E129-F132 HydrophobicContact CB-CD2 3.6Å; E129-F132 HydrophobicContact CB-CE2 4.26Å; E129-F132 HydrophobicContact CB-CG 4.41Å; E129-F132 PolarHBondContact O-N 3Å
130	T	91.7	Very high	94.5	Very high	130 Å²	130	79 Å²	79	80%	0.798	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	128.6	176.5	46.1	0	0	0	0	110.8	F132	T130-F132 VanDerWaalsContact C-N 3.33Å; T130-F132 WeakPolarHBondContact O-CD2 3.41Å
131	G	91.3	Very high	94.5	Very high	44 Å²	44	82.5 Å²	82.5	45%	0.454	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-0.9	-178.2	0	0	0	0	0	114.7	Q112 E129	Q112-G131 PolarHBondContact NE2-O 3.05Å; E129-G131 PolarHBondContact O-N 3.08Å
132	F	95.4	Very high	94.8	Very high	15 Å²	15	75.8 Å²	75.8	7%	0.066	41%	0.41	C	S	.	.			trans	-110	3.2	179.5	-65.8	-84.5	0	0	0	114.1	Q112 R115 V116 W119 E129 T130 A134 Y135 F136	Q112-F132 HydrophobicContact CB-CE1 3.96Å; Q112-F132 HydrophobicContact CB-CZ 4.36Å; Q112-F132 HydrophobicContact CG-CE1 4.35Å; Q112-F132 HydrophobicContact CG-CZ 4.32Å; R115-F132 HydrophobicContact CB-CE1 4.34Å; R115-F132 HydrophobicContact CB-CZ 4.44Å; V116-F132 HydrophobicContact CG2-CD1 3.8Å; V116-F132 HydrophobicContact CG2-CE1 4.07Å; W119-F132 HydrophobicContact CH2-CB 4.31Å; W119-F132 AromaticContact CH2-CD1 3.86Å; W119-F132 HydrophobicContact CH2-CD1 3.86Å; W119-F132 AromaticContact CH2-CD2 3.93Å; W119-F132 HydrophobicContact CH2-CD2 3.93Å; W119-F132 HydrophobicContact CH2-CE1 4.08Å; W119-F132 HydrophobicContact CH2-CE2 4.15Å; W119-F132 AromaticContact CH2-CG 3.76Å; W119-F132 HydrophobicContact CH2-CG 3.76Å; W119-F132 HydrophobicContact CH2-CZ 4.22Å; W119-F132 HydrophobicContact CZ3-CB 4Å; W119-F132 AromaticContact CZ3-CD1 3.46Å; W119-F132 HydrophobicContact CZ3-CD1 3.46Å; W119-F132 VanDerWaalsContact CZ3-CD1 3.46Å; W119-F132 HydrophobicContact CZ3-CD2 4.31Å; W119-F132 AromaticContact CZ3-CE1 3.93Å; W119-F132 HydrophobicContact CZ3-CE1 3.93Å; W119-F132 AromaticContact CZ3-CG 3.66Å; W119-F132 HydrophobicContact CZ3-CG 3.66Å; E129-F132 HydrophobicContact CB-CD2 3.6Å; E129-F132 HydrophobicContact CB-CE2 4.26Å; E129-F132 HydrophobicContact CB-CG 4.41Å; E129-F132 PolarHBondContact O-N 3Å; T130-F132 VanDerWaalsContact C-N 3.33Å; T130-F132 WeakPolarHBondContact O-CD2 3.41Å; F132-A134 VanDerWaalsContact C-N 3.29Å; F132-A134 PolarHBondContact O-N 3.03Å; F132-Y135 HydrophobicContact CD1-CD2 4.36Å; F132-Y135 PolarHBondContact O-N 3.31Å; F132-F136 WeakPolarHBondContact O-CB 3.46Å; F132-F136 PolarHBondContact O-N 3.37Å
133	Q	95.2	Very high	94.9	Very high	96 Å²	96	71.2 Å²	71.2	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-56.5	-41.6	-174.1	-66	84.7	-10.2	0	0	112.4	S128 Y135 F136 T137	S128-Q133 WeakPolarHBondContact OG-CA 3.48Å; S128-Q133 PolarHBondContact OG-N 3.08Å; Q133-Y135 VanDerWaalsContact C-N 3.27Å; Q133-Y135 PolarHBondContact O-N 3.12Å; Q133-F136 PolarHBondContact O-N 2.88Å; Q133-T137 PolarHBondContact O-N 2.95Å; Q133-T137 PolarHBondContact O-OG1 3.47Å; Q133-T137 VanDerWaalsContact O-OG1 3.04Å
134	A	95.4	Very high	94.9	Very high	37 Å²	37	71.1 Å²	71.1	31%	0.306	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-37.2	179.1	0	0	0	0	0	112.8	F132 W188 P190	F132-A134 VanDerWaalsContact C-N 3.29Å; F132-A134 PolarHBondContact O-N 3.03Å; A134-W188 HydrophobicContact CB-CH2 4.5Å; A134-P190 HydrophobicContact CB-CB 4Å; A134-P190 HydrophobicContact CB-CG 3.79Å
135	Y	96.6	Very high	94.8	Very high	14 Å²	14	73.7 Å²	73.7	6%	0.055	40%	0.402	C	S	.	.	H	α-helix	trans	-80.4	-40.6	176.7	-54.6	-80.7	0	0	0	111.2	L113 V116 F132 Q133 T137 K138 R139 V156 W188 P190	L113-Y135 HydrophobicContact CD2-CD1 4.36Å; L113-Y135 HydrophobicContact CD2-CE1 3.46Å; L113-Y135 VanDerWaalsContact CD2-CE1 3.46Å; L113-Y135 HydrophobicContact CD2-CE2 4.46Å; L113-Y135 WeakPolarHBondContact CD2-OH 3.33Å; V116-Y135 HydrophobicContact CG1-CD1 4.39Å; V116-Y135 HydrophobicContact CG2-CD1 4.29Å; V116-Y135 HydrophobicContact CG2-CD2 4.11Å; V116-Y135 HydrophobicContact CG2-CG 3.88Å; F132-Y135 HydrophobicContact CD1-CD2 4.36Å; F132-Y135 PolarHBondContact O-N 3.31Å; Q133-Y135 VanDerWaalsContact C-N 3.27Å; Q133-Y135 PolarHBondContact O-N 3.12Å; Y135-T137 VanDerWaalsContact C-N 3.33Å; Y135-T137 PolarHBondContact O-N 3.41Å; Y135-K138 CarbonylContact O-C 3.56Å; Y135-K138 PolarHBondContact O-N 2.65Å; Y135-R139 PolarHBondContact O-N 3.15Å; Y135-V156 HydrophobicContact CE1-CG1 4.09Å; Y135-W188 AromaticContact CD1-CH2 3.99Å; Y135-W188 HydrophobicContact CD1-CH2 3.99Å; Y135-W188 AromaticContact CD1-CZ3 3.68Å; Y135-W188 HydrophobicContact CD1-CZ3 3.68Å; Y135-W188 HydrophobicContact CE1-CH2 4.03Å; Y135-W188 AromaticContact CE1-CZ3 3.54Å; Y135-W188 HydrophobicContact CE1-CZ3 3.54Å; Y135-P190 HydrophobicContact CE1-CG 4.39Å; Y135-P190 HydrophobicContact CE2-CG 4.08Å; Y135-P190 WeakPolarHBondContact OH-CD 3.39Å
136	F	96.5	Very high	94.6	Very high	34 Å²	34	79.9 Å²	79.9	15%	0.149	43%	0.426	C	S	.	.	H	α-helix	trans	-62	-37.9	-178.8	-170.6	-95.9	0	0	0	112.8	W124 P125 F132 Q133 K138 R139	W124-F136 AromaticContact CE3-CD2 3.97Å; W124-F136 HydrophobicContact CE3-CD2 3.97Å; W124-F136 HydrophobicContact CZ3-CD2 4.42Å; P125-F136 WeakPolarHBondContact O-CE2 3.37Å; F132-F136 WeakPolarHBondContact O-CB 3.46Å; F132-F136 PolarHBondContact O-N 3.37Å; Q133-F136 PolarHBondContact O-N 2.88Å; F136-K138 PolarHBondContact O-N 3.04Å; F136-R139 VanDerWaalsContact CE1-NH1 3.27Å; F136-R139 WeakPolarHBondContact O-CB 3.31Å; F136-R139 WeakPolarHBondContact O-CD 3.47Å; F136-R139 WeakPolarHBondContact O-CG 3.42Å; F136-R139 PolarHBondContact O-N 3.13Å; F136-R139 PolarHBondContact O-NH1 3.05Å
137	T	95.9	Very high	94.7	Very high	113 Å²	113	79.7 Å²	79.7	69%	0.693	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.8	175	-58.9	0	0	0	0	112.1	Q133 Y135	Q133-T137 PolarHBondContact O-N 2.95Å; Q133-T137 PolarHBondContact O-OG1 3.47Å; Q133-T137 VanDerWaalsContact O-OG1 3.04Å; Y135-T137 VanDerWaalsContact C-N 3.33Å; Y135-T137 PolarHBondContact O-N 3.41Å
138	K	95.9	Very high	94.7	Very high	48 Å²	48	71.7 Å²	71.7	21%	0.209	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.1	-177.8	-63	179.3	178.8	-64.7	0	113.6	Y135 F136 N140 E141 L142 W151 W188	Y135-K138 CarbonylContact O-C 3.56Å; Y135-K138 PolarHBondContact O-N 2.65Å; F136-K138 PolarHBondContact O-N 3.04Å; K138-N140 PolarHBondContact O-N 3.35Å; K138-E141 PolarHBondContact O-N 2.99Å; K138-L142 HydrophobicContact CB-CG 4.48Å; K138-L142 PolarHBondContact O-N 3.41Å; K138-W151 HydrophobicContact CD-CD2 3.92Å; K138-W151 HydrophobicContact CD-CE3 4.37Å; K138-W151 HydrophobicContact CD-CG 4.27Å; K138-W151 HydrophobicContact CD-CZ2 4.21Å; K138-W188 HydrophobicContact CD-CH2 3.86Å; K138-W188 HydrophobicContact CD-CZ2 3.47Å; K138-W188 VanDerWaalsContact CD-CZ2 3.47Å
139	R	95.9	Very high	94.9	Very high	86 Å²	86	69.7 Å²	69.7	33%	0.325	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-52.9	-34.7	-169.3	67	-175.5	-178.7	-83.5	0.4	115.3	W124 Y135 F136 E141 L142	W124-R139 HydrophobicContact CD2-CB 3.59Å; W124-R139 HydrophobicContact CE3-CB 4.01Å; W124-R139 HydrophobicContact CG-CB 4.05Å; W124-R139 HydrophobicContact CH2-CB 4Å; W124-R139 HydrophobicContact CZ2-CB 3.6Å; W124-R139 HydrophobicContact CZ3-CB 4.2Å; Y135-R139 PolarHBondContact O-N 3.15Å; F136-R139 VanDerWaalsContact CE1-NH1 3.27Å; F136-R139 WeakPolarHBondContact O-CB 3.31Å; F136-R139 WeakPolarHBondContact O-CD 3.47Å; F136-R139 WeakPolarHBondContact O-CG 3.42Å; F136-R139 PolarHBondContact O-N 3.13Å; F136-R139 PolarHBondContact O-NH1 3.05Å; R139-E141 VanDerWaalsContact C-N 3.26Å; R139-E141 PolarHBondContact O-N 3.38Å; R139-L142 PolarHBondContact O-N 3.3Å
140	N	95.5	Very high	95.2	Very high	143 Å²	143	67.9 Å²	67.9	77%	0.765	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-75.4	-16.8	-178.1	-63.2	-17.2	0	0	0	112.9	K138	K138-N140 PolarHBondContact O-N 3.35Å
141	E	97	Very high	95.4	Very high	108 Å²	108	63.5 Å²	63.5	51%	0.505	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-108.8	0.9	179.7	-63.9	171.9	-122.8	0	0	111.9	K138 R139 W151 G152	K138-E141 PolarHBondContact O-N 2.99Å; R139-E141 VanDerWaalsContact C-N 3.26Å; R139-E141 PolarHBondContact O-N 3.38Å; E141-W151 PolarHBondContact OE2-NE1 2.98Å; E141-G152 PolarHBondContact O-N 3.36Å; E141-G152 VanDerWaalsContact O-N 3.16Å
142	L	97.6	Very high	95.6	Very high	9 Å²	9	63.2 Å²	63.2	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.6	176.6	-76.2	173.5	0	0	0	110.1	V116 V120 W124 K138 R139 L149 L150 W151 V156	V116-L142 HydrophobicContact CG1-CD1 4.15Å; V120-L142 HydrophobicContact CG2-CB 3.99Å; W124-L142 HydrophobicContact CH2-CD1 3.62Å; W124-L142 HydrophobicContact CZ2-CB 4.36Å; W124-L142 HydrophobicContact CZ2-CD1 3.59Å; K138-L142 HydrophobicContact CB-CG 4.48Å; K138-L142 PolarHBondContact O-N 3.41Å; R139-L142 PolarHBondContact O-N 3.3Å; L142-L149 HydrophobicContact CB-CD1 4.48Å; L142-L149 HydrophobicContact CD2-CD1 4.29Å; L142-L149 HydrophobicContact CD2-CD2 4.28Å; L142-L149 HydrophobicContact CD2-CG 4.13Å; L142-L150 CarbonylContact C-O 3.58Å; L142-L150 VanDerWaalsContact CA-O 3.28Å; L142-L150 WeakPolarHBondContact CA-O 3.35Å; L142-L150 WeakPolarHBondContact CD2-O 3.41Å; L142-W151 HydrophobicContact CD2-CB 3.92Å; L142-V156 HydrophobicContact CD2-CG2 4.1Å
143	T	96.5	Very high	95.5	Very high	73 Å²	73	69.9 Å²	69.9	45%	0.448	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	165.6	178.7	62	0	0	0	0	110.6	L150	T143-L150 PolarHBondContact N-O 3.05Å; T143-L150 PolarHBondContact O-N 3.33Å
144	V	95.8	Very high	95.5	Very high	39 Å²	39	68.9 Å²	68.9	24%	0.236	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.6	178.3	178.7	0	0	0	0	110	L117 V120 W121 C148 L149	L117-V144 HydrophobicContact CD1-CB 4.32Å; L117-V144 HydrophobicContact CD1-CG1 3.74Å; L117-V144 HydrophobicContact CD1-CG2 3.54Å; V120-V144 HydrophobicContact CB-CG2 4.02Å; V120-V144 HydrophobicContact CG1-CG2 3.7Å; W121-V144 HydrophobicContact CZ2-CG1 3.82Å; V144-C148 VanDerWaalsContact CA-O 3.31Å; V144-C148 WeakPolarHBondContact CA-O 3.23Å; V144-L149 HydrophobicContact CG2-CD1 4.14Å
145	H	93.6	Very high	95.6	Very high	113 Å²	113	69.2 Å²	69.2	52%	0.523	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.5	174.3	-173.8	77.2	0	0	0	110.2	K147 C148 L150	H145-K147 PolarHBondContact O-N 2.97Å; H145-K147 VanDerWaalsContact O-N 3.13Å; H145-C148 PolarHBondContact N-O 3.43Å; H145-C148 WeakPolarHBondContact O-CA 3.37Å; H145-C148 WeakPolarHBondContact O-CB 3.38Å; H145-C148 PolarHBondContact O-N 3.22Å; H145-L150 HydrophobicContact CB-CD1 3.64Å
146	K	90.4	Very high	95.7	Very high	157 Å²	157	68.5 Å²	68.5	68%	0.683	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	38.1	-176.8	-65.9	175.9	-178.3	179.1	0	113.6	C148	K146-C148 PolarHBondContact O-N 3.24Å
147	K	93	Very high	95.7	Very high	129 Å²	129	67 Å²	67	56%	0.561	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	6.2	-175.3	-50.9	175.4	-179.9	177.8	0	115.1	A104 H145	A104-K147 HydrophobicContact CB-CB 3.94Å; H145-K147 PolarHBondContact O-N 2.97Å; H145-K147 VanDerWaalsContact O-N 3.13Å
148	C	95	Very high	95.8	Very high	6 Å²	6	61.7 Å²	61.7	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.4	167.6	-60.3	0	0	0	0	109.7	A100 V144 H145 K146 L150	A100-C148 PolarHBondContact O-SG 3.24Å; V144-C148 VanDerWaalsContact CA-O 3.31Å; V144-C148 WeakPolarHBondContact CA-O 3.23Å; H145-C148 PolarHBondContact N-O 3.43Å; H145-C148 WeakPolarHBondContact O-CA 3.37Å; H145-C148 WeakPolarHBondContact O-CB 3.38Å; H145-C148 PolarHBondContact O-N 3.22Å; K146-C148 PolarHBondContact O-N 3.24Å; C148-L150 HydrophobicContact CB-CD1 4.32Å; C148-L150 WeakPolarHBondContact O-CD1 3.1Å
149	L	96.9	Very high	95.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.3	170.1	-174.6	72.1	0	0	0	108.8	L113 V116 L117 V120 L142 V144 V156	L113-L149 HydrophobicContact CD2-CD2 4.31Å; V116-L149 HydrophobicContact CB-CD2 4.28Å; V116-L149 HydrophobicContact CG1-CD1 4.19Å; V116-L149 HydrophobicContact CG1-CD2 3.56Å; L117-L149 HydrophobicContact CD1-CB 4.49Å; V120-L149 HydrophobicContact CG2-CD1 3.86Å; L142-L149 HydrophobicContact CB-CD1 4.48Å; L142-L149 HydrophobicContact CD2-CD1 4.29Å; L142-L149 HydrophobicContact CD2-CD2 4.28Å; L142-L149 HydrophobicContact CD2-CG 4.13Å; V144-L149 HydrophobicContact CG2-CD1 4.14Å; L149-V156 HydrophobicContact CB-CB 4.02Å; L149-V156 HydrophobicContact CB-CG2 4.23Å; L149-V156 HydrophobicContact CD2-CB 3.92Å; L149-V156 HydrophobicContact CD2-CG1 3.95Å; L149-V156 HydrophobicContact CD2-CG2 3.92Å; L149-V156 HydrophobicContact CG-CB 4.04Å; L149-V156 HydrophobicContact CG-CG2 3.81Å; L149-V156 PolarHBondContact O-N 3.27Å
150	L	97.5	Very high	95.6	Very high	31 Å²	31	66.7 Å²	66.7	16%	0.162	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142	179.3	-67.6	89.1	0	0	0	110.3	L142 T143 H145 C148 R154	L142-L150 CarbonylContact C-O 3.58Å; L142-L150 VanDerWaalsContact CA-O 3.28Å; L142-L150 WeakPolarHBondContact CA-O 3.35Å; L142-L150 WeakPolarHBondContact CD2-O 3.41Å; T143-L150 PolarHBondContact N-O 3.05Å; T143-L150 PolarHBondContact O-N 3.33Å; H145-L150 HydrophobicContact CB-CD1 3.64Å; C148-L150 HydrophobicContact CB-CD1 4.32Å; C148-L150 WeakPolarHBondContact O-CD1 3.1Å; L150-R154 CarbonylContact C-O 3.53Å; L150-R154 WeakPolarHBondContact CA-O 3.35Å
151	W	97	Very high	95.6	Very high	39 Å²	39	60 Å²	60	15%	0.148	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	107.2	165	175.6	43.3	0	0	0	108.7	K138 E141 L142 N153 R154 V156 W188	K138-W151 HydrophobicContact CD-CD2 3.92Å; K138-W151 HydrophobicContact CD-CE3 4.37Å; K138-W151 HydrophobicContact CD-CG 4.27Å; K138-W151 HydrophobicContact CD-CZ2 4.21Å; E141-W151 PolarHBondContact OE2-NE1 2.98Å; L142-W151 HydrophobicContact CD2-CB 3.92Å; W151-N153 PolarHBondContact O-N 3.26Å; W151-R154 PolarHBondContact N-O 3.38Å; W151-R154 WeakPolarHBondContact O-CB 3.3Å; W151-R154 PolarHBondContact O-N 2.92Å; W151-V156 HydrophobicContact CB-CG2 4.33Å; W151-W188 HydrophobicContact CD2-CG 4.41Å; W151-W188 HydrophobicContact CE3-CB 3.98Å; W151-W188 AromaticContact CE3-CD1 3.28Å; W151-W188 AromaticContact CE3-CD2 3.86Å; W151-W188 HydrophobicContact CE3-CD2 3.86Å; W151-W188 AromaticContact CE3-CG 3.4Å; W151-W188 HydrophobicContact CE3-CG 3.4Å; W151-W188 AromaticContact CE3-NE1 3.64Å; W151-W188 AromaticContact CZ3-CD1 3.3Å; W151-W188 AromaticContact CZ3-CG 3.92Å; W151-W188 HydrophobicContact CZ3-CG 3.92Å; W151-W188 AromaticContact CZ3-NE1 3.53Å
152	G	94.1	Very high	95.6	Very high	37 Å²	37	56.3 Å²	56.3	38%	0.381	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-119.1	-164.9	0	0	0	0	0	110.7	E141	E141-G152 PolarHBondContact O-N 3.36Å; E141-G152 VanDerWaalsContact O-N 3.16Å
153	N	93.3	Very high	95.4	Very high	155 Å²	155	60.7 Å²	60.7	83%	0.829	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	8.8	177.7	-65	-19.7	0	0	0	113.9	W151	W151-N153 PolarHBondContact O-N 3.26Å
154	R	96.8	Very high	95.2	Very high	75 Å²	75	60.6 Å²	60.6	28%	0.283	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135	-174.5	-54.6	175.4	-166.7	-167.4	-1.7	110.3	L150 W151 R184 Y186 W188	L150-R154 CarbonylContact C-O 3.53Å; L150-R154 WeakPolarHBondContact CA-O 3.35Å; W151-R154 PolarHBondContact N-O 3.38Å; W151-R154 WeakPolarHBondContact O-CB 3.3Å; W151-R154 PolarHBondContact O-N 2.92Å; R154-R184 PolarHBondContact NE-O 3.33Å; R154-R184 PolarHBondContact NH1-O 2.91Å; R154-R184 PolarHBondContact NH2-O 2.99Å; R154-Y186 WeakPolarHBondContact CA-O 3.45Å; R154-W188 HydrophobicContact CB-CB 4.16Å
155	V	97.3	Very high	95.1	Very high	44 Å²	44	59.1 Å²	59.1	27%	0.267	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.2	176.5	-175.7	0	0	0	0	109.6	V103 I157 Y186 V187 W188	V103-V155 HydrophobicContact CG1-CG1 3.82Å; V155-I157 HydrophobicContact CB-CD1 4.27Å; V155-I157 HydrophobicContact CG1-CD1 3.9Å; V155-I157 PolarHBondContact O-N 2.88Å; V155-Y186 PolarHBondContact N-O 3.46Å; V155-V187 CarbonylContact O-C 3.5Å; V155-V187 VanDerWaalsContact O-CA 3.32Å; V155-V187 WeakPolarHBondContact O-CA 3.33Å; V155-W188 PolarHBondContact O-N 3.03Å
156	V	97.9	Very high	95.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.4	174.7	-175.3	0	0	0	0	109.4	L113 Y135 L142 L149 W151 W188	L113-V156 HydrophobicContact CD1-CG1 4.07Å; L113-V156 HydrophobicContact CD2-CG1 4.02Å; Y135-V156 HydrophobicContact CE1-CG1 4.09Å; L142-V156 HydrophobicContact CD2-CG2 4.1Å; L149-V156 HydrophobicContact CB-CB 4.02Å; L149-V156 HydrophobicContact CB-CG2 4.23Å; L149-V156 HydrophobicContact CD2-CB 3.92Å; L149-V156 HydrophobicContact CD2-CG1 3.95Å; L149-V156 HydrophobicContact CD2-CG2 3.92Å; L149-V156 HydrophobicContact CG-CB 4.04Å; L149-V156 HydrophobicContact CG-CG2 3.81Å; L149-V156 PolarHBondContact O-N 3.27Å; W151-V156 HydrophobicContact CB-CG2 4.33Å; V156-W188 CarbonylContact C-O 3.6Å; V156-W188 VanDerWaalsContact CA-O 3.24Å; V156-W188 WeakPolarHBondContact CA-O 3.4Å; V156-W188 HydrophobicContact CB-CE3 4.4Å; V156-W188 HydrophobicContact CG1-CE3 3.89Å; V156-W188 HydrophobicContact CG1-CZ3 4.11Å; V156-W188 HydrophobicContact CG2-CE3 3.85Å; V156-W188 HydrophobicContact CG2-CZ3 4.41Å
157	I	97.8	Very high	95.3	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-100	125.1	-173.3	-54.1	-62	0	0	0	110.6	L98 V103 V155 Q162 V165 V187 W188 W189	L98-I157 HydrophobicContact CD2-CD1 4.47Å; V103-I157 HydrophobicContact CG1-CD1 4.48Å; V103-I157 HydrophobicContact CG2-CD1 4.18Å; V155-I157 HydrophobicContact CB-CD1 4.27Å; V155-I157 HydrophobicContact CG1-CD1 3.9Å; V155-I157 PolarHBondContact O-N 2.88Å; I157-Q162 HydrophobicContact CG2-CG 4.03Å; I157-V165 HydrophobicContact CD1-CG2 4.18Å; I157-V165 HydrophobicContact CG1-CG2 4.16Å; I157-V165 HydrophobicContact CG2-CG2 3.98Å; I157-V187 HydrophobicContact CD1-CG1 3.99Å; I157-V187 HydrophobicContact CG1-CB 3.92Å; I157-V187 HydrophobicContact CG1-CG1 3.88Å; I157-W188 PolarHBondContact N-O 3.47Å; I157-W189 HydrophobicContact CB-CE3 3.68Å; I157-W189 HydrophobicContact CB-CZ3 4.04Å; I157-W189 HydrophobicContact CG1-CE3 3.9Å; I157-W189 HydrophobicContact CG1-CZ3 3.93Å; I157-W189 HydrophobicContact CG2-CE3 4.44Å
158	P	96.3	Very high	95.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-65	154.5	172.8	23.6	-29.9	0	0	0	111.5	L106 D110 L113 T160 G161 Q162	L106-P158 HydrophobicContact CB-CB 4.3Å; L106-P158 HydrophobicContact CB-CG 3.37Å; L106-P158 HydrophobicContact CD1-CG 4.37Å; L106-P158 HydrophobicContact CG-CG 4.5Å; D110-P158 HydrophobicContact CB-CB 3.98Å; D110-P158 WeakPolarHBondContact OD2-CB 3.47Å; L113-P158 VanDerWaalsContact CD1-CA 3.46Å; L113-P158 HydrophobicContact CD1-CB 3.76Å; L113-P158 HydrophobicContact CD1-CG 4.44Å; P158-T160 PolarHBondContact O-N 2.58Å; P158-T160 VanDerWaalsContact O-N 3.1Å; P158-G161 WeakPolarHBondContact O-CA 3.49Å; P158-G161 PolarHBondContact O-N 2.71Å; P158-Q162 PolarHBondContact O-N 3.18Å
159	K	95.1	Very high	94.9	Very high	134 Å²	134	48 Å²	48	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-51.2	-40.7	-177.3	-74.3	-179.1	174	171.3	0	113.5	G161 Q162	K159-G161 VanDerWaalsContact C-N 3.25Å; K159-G161 PolarHBondContact O-N 3.22Å; K159-Q162 PolarHBondContact O-N 3.48Å
160	T	94.2	Very high	94.6	Very high	104 Å²	104	50 Å²	50	64%	0.638	25%	0.254	S	S	*	.	H	α-helix	trans	-67.6	-21.3	179.5	50.1	0	0	0	0	114.1	P158	P158-T160 PolarHBondContact O-N 2.58Å; P158-T160 VanDerWaalsContact O-N 3.1Å
161	G	94.3	Very high	93.9	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-94.9	-16.1	176.5	0	0	0	0	0	114.3	P158 K159 Q163 R164 V165	P158-G161 WeakPolarHBondContact O-CA 3.49Å; P158-G161 PolarHBondContact O-N 2.71Å; K159-G161 VanDerWaalsContact C-N 3.25Å; K159-G161 PolarHBondContact O-N 3.22Å; G161-Q163 PolarHBondContact O-N 3.01Å; G161-R164 PolarHBondContact O-N 3.07Å; G161-V165 PolarHBondContact O-N 3.3Å; G161-V165 VanDerWaalsContact O-N 3.14Å
162	Q	96.2	Very high	92.9	Very high	31 Å²	31	54 Å²	54	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-44.5	-173.9	-72.2	169.7	-6.1	0	0	112.1	I157 P158 K159 R164 V165 L166 W189	I157-Q162 HydrophobicContact CG2-CG 4.03Å; P158-Q162 PolarHBondContact O-N 3.18Å; K159-Q162 PolarHBondContact O-N 3.48Å; Q162-R164 VanDerWaalsContact C-N 3.29Å; Q162-R164 PolarHBondContact O-N 2.84Å; Q162-V165 PolarHBondContact O-N 3.46Å; Q162-V165 VanDerWaalsContact O-N 3.14Å; Q162-L166 WeakPolarHBondContact O-CG 3.15Å; Q162-L166 PolarHBondContact O-N 3.48Å; Q162-W189 HydrophobicContact CB-CZ2 4.29Å; Q162-W189 HydrophobicContact CG-CD2 3.78Å; Q162-W189 HydrophobicContact CG-CE3 4.22Å; Q162-W189 HydrophobicContact CG-CG 4Å; Q162-W189 HydrophobicContact CG-CZ2 4.22Å
163	Q	94.1	Very high	92.4	Very high	101 Å²	101	58.6 Å²	58.6	47%	0.472	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-39.6	178.8	-172.5	59.5	59.8	0	0	112.7	G161 L166 N167	G161-Q163 PolarHBondContact O-N 3.01Å; Q163-L166 PolarHBondContact O-N 3.26Å; Q163-N167 PolarHBondContact NE2-OD1 3.29Å; Q163-N167 PolarHBondContact O-N 2.86Å; Q163-N167 PolarHBondContact O-ND2 3.14Å; Q163-N167 PolarHBondContact O-OD1 3.38Å
164	R	92.6	Very high	91.8	Very high	72 Å²	72	52.6 Å²	52.6	27%	0.272	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-41.8	178	-176.9	169.2	172.1	-166.8	2.1	111	P96 P97 D102 G161 Q162 N167 E168	P96-R164 PolarHBondContact O-NH2 3.47Å; P97-R164 VanDerWaalsContact C-NH2 3.25Å; P97-R164 PolarHBondContact O-NH2 2.9Å; P97-R164 VanDerWaalsContact O-NH2 3.07Å; D102-R164 IonicContact OD2-NH1 2.75Å; D102-R164 IonicContact OD2-NH2 3.49Å; G161-R164 PolarHBondContact O-N 3.07Å; Q162-R164 VanDerWaalsContact C-N 3.29Å; Q162-R164 PolarHBondContact O-N 2.84Å; R164-N167 PolarHBondContact O-N 2.99Å; R164-E168 IonicContact NE-OE1 3.23Å; R164-E168 WeakPolarHBondContact O-CG 3.5Å; R164-E168 PolarHBondContact O-N 3.43Å
165	V	94.4	Very high	91.5	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-41	175.4	176.9	0	0	0	0	111.6	L98 I157 G161 Q162 E168 L169 V187 W189	L98-V165 HydrophobicContact CD2-CG2 3.57Å; I157-V165 HydrophobicContact CD1-CG2 4.18Å; I157-V165 HydrophobicContact CG1-CG2 4.16Å; I157-V165 HydrophobicContact CG2-CG2 3.98Å; G161-V165 PolarHBondContact O-N 3.3Å; G161-V165 VanDerWaalsContact O-N 3.14Å; Q162-V165 PolarHBondContact O-N 3.46Å; Q162-V165 VanDerWaalsContact O-N 3.14Å; V165-E168 PolarHBondContact O-N 3.39Å; V165-L169 HydrophobicContact CG1-CD1 3.96Å; V165-L169 HydrophobicContact CG1-CG 4.27Å; V165-L169 WeakPolarHBondContact O-CB 3.26Å; V165-L169 VanDerWaalsContact O-CG 3.26Å; V165-L169 WeakPolarHBondContact O-CG 3.06Å; V165-L169 PolarHBondContact O-N 3.07Å; V165-V187 HydrophobicContact CG1-CB 4.48Å; V165-V187 HydrophobicContact CG1-CG1 4.16Å; V165-V187 HydrophobicContact CG1-CG2 3.99Å; V165-W189 HydrophobicContact CB-CH2 4.24Å; V165-W189 HydrophobicContact CB-CZ3 4.33Å; V165-W189 HydrophobicContact CG1-CH2 3.88Å; V165-W189 HydrophobicContact CG1-CZ3 3.89Å
166	L	94.8	Very high	91.3	Very high	11 Å²	11	51 Å²	51	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-44.9	175.4	-71.8	172.8	0	0	0	111.6	Q162 Q163 E168 L169 H170 W189 I196 F199	Q162-L166 WeakPolarHBondContact O-CG 3.15Å; Q162-L166 PolarHBondContact O-N 3.48Å; Q163-L166 PolarHBondContact O-N 3.26Å; L166-E168 PolarHBondContact O-N 3.44Å; L166-L169 PolarHBondContact O-N 3.46Å; L166-H170 WeakPolarHBondContact O-CB 2.92Å; L166-H170 PolarHBondContact O-N 2.92Å; L166-W189 HydrophobicContact CD2-CH2 4.47Å; L166-W189 HydrophobicContact CD2-CZ2 4.18Å; L166-W189 HydrophobicContact CG-CZ2 4.32Å; L166-I196 HydrophobicContact CD2-CG1 3.61Å; L166-F199 HydrophobicContact CB-CD1 4.4Å; L166-F199 HydrophobicContact CB-CD2 4.04Å; L166-F199 HydrophobicContact CB-CE1 4.5Å; L166-F199 HydrophobicContact CB-CE2 4.17Å; L166-F199 HydrophobicContact CB-CG 4.17Å; L166-F199 HydrophobicContact CB-CZ 4.37Å; L166-F199 HydrophobicContact CD1-CB 4.36Å; L166-F199 HydrophobicContact CD1-CD2 4.11Å; L166-F199 HydrophobicContact CD1-CG 4.31Å
167	N	91.9	Very high	91.1	Very high	78 Å²	78	56.6 Å²	56.6	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-45.5	175	-66.4	-12.4	0	0	0	111.3	Q163 R164 H170 L171 F199	Q163-N167 PolarHBondContact NE2-OD1 3.29Å; Q163-N167 PolarHBondContact O-N 2.86Å; Q163-N167 PolarHBondContact O-ND2 3.14Å; Q163-N167 PolarHBondContact O-OD1 3.38Å; R164-N167 PolarHBondContact O-N 2.99Å; N167-H170 PolarHBondContact O-N 3.02Å; N167-H170 VanDerWaalsContact O-N 3.15Å; N167-L171 PolarHBondContact O-N 3.48Å; N167-L171 VanDerWaalsContact O-N 3.13Å; N167-F199 WeakPolarHBondContact OD1-CZ 3.17Å
168	E	89.3	Confident	90.8	Very high	61 Å²	61	64.1 Å²	64.1	29%	0.285	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-43.3	177.5	-76	178.5	-163.1	0	0	112.3	L98 R164 V165 L166 H170 L171	L98-E168 PolarHBondContact N-OE1 2.9Å; R164-E168 IonicContact NE-OE1 3.23Å; R164-E168 WeakPolarHBondContact O-CG 3.5Å; R164-E168 PolarHBondContact O-N 3.43Å; V165-E168 PolarHBondContact O-N 3.39Å; L166-E168 PolarHBondContact O-N 3.44Å; E168-H170 PolarHBondContact O-N 3.48Å; E168-L171 PolarHBondContact O-N 3.01Å
169	L	90.8	Very high	90.7	Very high	20 Å²	20	64 Å²	64	11%	0.105	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-25.7	176.3	-71.3	171.8	0	0	0	112.7	V165 L166 P174 M179 L182 A183	V165-L169 HydrophobicContact CG1-CD1 3.96Å; V165-L169 HydrophobicContact CG1-CG 4.27Å; V165-L169 WeakPolarHBondContact O-CB 3.26Å; V165-L169 VanDerWaalsContact O-CG 3.26Å; V165-L169 WeakPolarHBondContact O-CG 3.06Å; V165-L169 PolarHBondContact O-N 3.07Å; L166-L169 PolarHBondContact O-N 3.46Å; L169-P174 WeakPolarHBondContact O-CG 3.43Å; L169-M179 HydrophobicContact CB-CE 3.94Å; L169-L182 HydrophobicContact CD2-CB 3.57Å; L169-L182 HydrophobicContact CD2-CD1 4.39Å; L169-A183 HydrophobicContact CD1-CB 3.86Å
170	H	90.3	Very high	90.8	Very high	42 Å²	42	59.1 Å²	59.1	19%	0.194	31%	0.307	C	S	.	.	H	α-helix	trans	-95.1	-6.9	-177.8	-164.3	73.3	0	0	0	114.6	L166 N167 E168 S172 H173 M179 F199	L166-H170 WeakPolarHBondContact O-CB 2.92Å; L166-H170 PolarHBondContact O-N 2.92Å; N167-H170 PolarHBondContact O-N 3.02Å; N167-H170 VanDerWaalsContact O-N 3.15Å; E168-H170 PolarHBondContact O-N 3.48Å; H170-S172 PolarHBondContact O-N 3.01Å; H170-H173 AromaticContact CD2-CE1 3.76Å; H170-H173 AromaticContact CD2-ND1 3.46Å; H170-H173 PolarHBondContact CD2-ND1 2.94Å; H170-H173 AromaticContact CE1-ND1 3.59Å; H170-H173 AromaticContact NE2-CE1 3.47Å; H170-H173 PolarHBondContact NE2-CE1 3.38Å; H170-H173 AromaticContact NE2-ND1 2.9Å; H170-H173 PolarHBondContact NE2-ND1 2.82Å; H170-H173 WeakPolarHBondContact O-CA 3.47Å; H170-H173 PolarHBondContact O-N 2.82Å; H170-M179 HydrophobicContact CB-CE 3.77Å; H170-M179 HydrophobicContact CB-SD 4.06Å; H170-M179 PolarHBondContact ND1-SD 3.45Å; H170-F199 HydrophobicContact CB-CD1 4.41Å; H170-F199 HydrophobicContact CB-CE1 3.55Å; H170-F199 HydrophobicContact CB-CZ 4.36Å; H170-F199 AromaticContact CG-CE1 3.64Å
171	L	82.6	Confident	90.8	Very high	76 Å²	76	56.5 Å²	56.5	40%	0.398	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-36.6	-173.3	-77.2	172.8	0	0	0	114.6	L93 P94 N167 E168	L93-L171 HydrophobicContact CD2-CD1 3.8Å; P94-L171 HydrophobicContact CG-CD2 3.57Å; N167-L171 PolarHBondContact O-N 3.48Å; N167-L171 VanDerWaalsContact O-N 3.13Å; E168-L171 PolarHBondContact O-N 3.01Å
172	S	76.8	Confident	90.8	Very high	78 Å²	78	59.1 Å²	59.1	55%	0.545	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	19.4	-179.5	77.8	0	0	0	0	113.9	H170 P174	H170-S172 PolarHBondContact O-N 3.01Å; S172-P174 VanDerWaalsContact C-CD 3.41Å; S172-P174 VanDerWaalsContact C-N 3.29Å; S172-P174 VanDerWaalsContact O-N 3.13Å
173	H	82.6	Confident	90.8	Very high	135 Å²	135	57.6 Å²	57.6	63%	0.625	30%	0.303	S	S	*	.			trans	37.5	51.6	-171.4	-57.1	-74	0	0	0	114	H170 G175	H170-H173 AromaticContact CD2-CE1 3.76Å; H170-H173 AromaticContact CD2-ND1 3.46Å; H170-H173 PolarHBondContact CD2-ND1 2.94Å; H170-H173 AromaticContact CE1-ND1 3.59Å; H170-H173 AromaticContact NE2-CE1 3.47Å; H170-H173 PolarHBondContact NE2-CE1 3.38Å; H170-H173 AromaticContact NE2-ND1 2.9Å; H170-H173 PolarHBondContact NE2-ND1 2.82Å; H170-H173 WeakPolarHBondContact O-CA 3.47Å; H170-H173 PolarHBondContact O-N 2.82Å; H173-G175 PolarHBondContact O-N 3.36Å
174	P	81.9	Confident	90.8	Very high	29 Å²	29	57.8 Å²	57.8	19%	0.188	30%	0.299	C	S	.	.			trans	-72.4	-6.3	-168.4	29.1	-32.8	0	0	0	114.1	L169 S172 R178 M179	L169-P174 WeakPolarHBondContact O-CG 3.43Å; S172-P174 VanDerWaalsContact C-CD 3.41Å; S172-P174 VanDerWaalsContact C-N 3.29Å; S172-P174 VanDerWaalsContact O-N 3.13Å; P174-R178 HydrophobicContact CB-CB 3.95Å; P174-R178 HydrophobicContact CB-CG 3.74Å; P174-R178 WeakPolarHBondContact O-CB 3.46Å; P174-M179 HydrophobicContact CG-CG 3.68Å
175	G	89.5	Confident	90.9	Very high	30 Å²	30	57.6 Å²	57.6	31%	0.309	31%	0.309	S	S	.	.			trans	81.6	162.1	-175.9	0	0	0	0	0	113.5	H173 V177 R178 M179	H173-G175 PolarHBondContact O-N 3.36Å; G175-V177 PolarHBondContact O-N 3.3Å; G175-R178 PolarHBondContact O-N 3.13Å; G175-M179 WeakPolarHBondContact O-CG 3.37Å; G175-M179 PolarHBondContact O-N 2.84Å
176	I	94.4	Very high	91	Very high	56 Å²	56	64.5 Å²	64.5	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-54.7	-44.9	-169.9	-170.2	75	0	0	0	114	R178 M179 K180 I196 E197 V200	I176-R178 PolarHBondContact O-N 3.39Å; I176-M179 PolarHBondContact O-N 3Å; I176-K180 HydrophobicContact CG1-CD 4.38Å; I176-K180 WeakPolarHBondContact O-CG 3.13Å; I176-K180 PolarHBondContact O-N 3.4Å; I176-I196 HydrophobicContact CD1-CG2 3.53Å; I176-I196 VanDerWaalsContact CD1-O 3.3Å; I176-I196 WeakPolarHBondContact CD1-O 3.46Å; I176-E197 HydrophobicContact CD1-CG 4.07Å; I176-V200 HydrophobicContact CB-CG1 4.31Å; I176-V200 HydrophobicContact CD1-CB 3.98Å; I176-V200 HydrophobicContact CD1-CG1 4.48Å; I176-V200 HydrophobicContact CD1-CG2 3.93Å
177	V	94.1	Very high	91.1	Very high	117 Å²	117	64.8 Å²	64.8	71%	0.709	34%	0.337	S	S	*	.	H	α-helix	trans	-63.7	-45.6	-176.5	176.5	0	0	0	0	110.9	G175 K180 A181	G175-V177 PolarHBondContact O-N 3.3Å; V177-K180 PolarHBondContact O-N 3.14Å; V177-A181 PolarHBondContact O-N 3.32Å
178	R	90.9	Very high	91.4	Very high	160 Å²	160	62 Å²	62	60%	0.604	32%	0.32	S	S	*	.	H	α-helix	trans	-73.5	-36.4	-178.8	-178	167.3	173.2	169	3.1	111.5	P174 G175 I176 A181 L182	P174-R178 HydrophobicContact CB-CB 3.95Å; P174-R178 HydrophobicContact CB-CG 3.74Å; P174-R178 WeakPolarHBondContact O-CB 3.46Å; G175-R178 PolarHBondContact O-N 3.13Å; I176-R178 PolarHBondContact O-N 3.39Å; R178-A181 PolarHBondContact O-N 2.93Å; R178-L182 HydrophobicContact CG-CD1 4.42Å; R178-L182 WeakPolarHBondContact O-CG 3.16Å; R178-L182 PolarHBondContact O-N 3.36Å
179	M	94.8	Very high	91.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-47.8	171.7	-72.1	-175.3	62.9	0	0	111.6	L169 H170 P174 G175 I176 A181 L182 A183 I196 F199 V200	L169-M179 HydrophobicContact CB-CE 3.94Å; H170-M179 HydrophobicContact CB-CE 3.77Å; H170-M179 HydrophobicContact CB-SD 4.06Å; H170-M179 PolarHBondContact ND1-SD 3.45Å; P174-M179 HydrophobicContact CG-CG 3.68Å; G175-M179 WeakPolarHBondContact O-CG 3.37Å; G175-M179 PolarHBondContact O-N 2.84Å; I176-M179 PolarHBondContact O-N 3Å; M179-A181 VanDerWaalsContact C-N 3.34Å; M179-A181 PolarHBondContact O-N 3.47Å; M179-L182 PolarHBondContact O-N 3.14Å; M179-A183 WeakPolarHBondContact O-CB 3.45Å; M179-A183 PolarHBondContact O-N 2.93Å; M179-I196 HydrophobicContact CB-CG2 4.01Å; M179-F199 HydrophobicContact CE-CD1 4.05Å; M179-F199 HydrophobicContact CE-CE1 4.41Å; M179-V200 HydrophobicContact CE-CG2 3.93Å; M179-V200 HydrophobicContact SD-CG2 3.35Å; M179-V200 WeakPolarHBondContact SD-CG2 3.49Å
180	K	96.2	Very high	92	Very high	30 Å²	30	59.8 Å²	59.8	13%	0.13	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-41.1	175.8	-72.3	179.8	177.7	179.2	0	112.5	I176 V177 A183 R184 D193 I196 E197	I176-K180 HydrophobicContact CG1-CD 4.38Å; I176-K180 WeakPolarHBondContact O-CG 3.13Å; I176-K180 PolarHBondContact O-N 3.4Å; V177-K180 PolarHBondContact O-N 3.14Å; K180-A183 PolarHBondContact O-N 3.09Å; K180-R184 WeakPolarHBondContact O-CB 3.32Å; K180-R184 WeakPolarHBondContact O-CD 3.43Å; K180-R184 WeakPolarHBondContact O-CG 3.34Å; K180-R184 PolarHBondContact O-N 3.46Å; K180-D193 WeakPolarHBondContact CE-O 3.48Å; K180-I196 HydrophobicContact CG-CB 4.46Å; K180-I196 HydrophobicContact CG-CD1 4.31Å; K180-I196 HydrophobicContact CG-CG2 3.82Å; K180-E197 IonicContact NZ-OE1 3.71Å; K180-E197 PolarHBondContact NZ-OE1 3.41Å
181	A	94.5	Very high	92.2	Very high	50 Å²	50	63.4 Å²	63.4	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-43.5	177.1	0	0	0	0	0	112.4	V177 R178 M179 S185	V177-A181 PolarHBondContact O-N 3.32Å; R178-A181 PolarHBondContact O-N 2.93Å; M179-A181 VanDerWaalsContact C-N 3.34Å; M179-A181 PolarHBondContact O-N 3.47Å; A181-S185 PolarHBondContact O-N 2.98Å; A181-S185 PolarHBondContact O-OG 3.2Å
182	L	93.4	Very high	92.9	Very high	56 Å²	56	60.5 Å²	60.5	29%	0.293	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-48.5	175.5	-71.6	172.7	0	0	0	111.4	L169 R178 M179 R184 S185 Y186	L169-L182 HydrophobicContact CD2-CB 3.57Å; L169-L182 HydrophobicContact CD2-CD1 4.39Å; R178-L182 HydrophobicContact CG-CD1 4.42Å; R178-L182 WeakPolarHBondContact O-CG 3.16Å; R178-L182 PolarHBondContact O-N 3.36Å; M179-L182 PolarHBondContact O-N 3.14Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 3.41Å; L182-S185 WeakPolarHBondContact O-CB 3.45Å; L182-S185 PolarHBondContact O-N 3.09Å; L182-Y186 HydrophobicContact CD2-CE2 4.06Å; L182-Y186 VanDerWaalsContact O-CD2 3.22Å; L182-Y186 WeakPolarHBondContact O-CD2 3.48Å; L182-Y186 PolarHBondContact O-N 2.92Å
183	A	96.1	Very high	93.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-54.4	-50.6	177.5	0	0	0	0	0	111.4	L169 M179 K180 S185 Y186 V187 I192 I196	L169-A183 HydrophobicContact CD1-CB 3.86Å; M179-A183 WeakPolarHBondContact O-CB 3.45Å; M179-A183 PolarHBondContact O-N 2.93Å; K180-A183 PolarHBondContact O-N 3.09Å; A183-S185 PolarHBondContact O-N 3.28Å; A183-S185 VanDerWaalsContact O-N 3.12Å; A183-Y186 PolarHBondContact O-N 3.43Å; A183-V187 HydrophobicContact CB-CG2 4.2Å; A183-V187 WeakPolarHBondContact O-CG2 3.48Å; A183-V187 PolarHBondContact O-N 2.9Å; A183-I192 HydrophobicContact CB-CD1 3.77Å; A183-I192 HydrophobicContact CB-CG1 4.28Å; A183-I196 HydrophobicContact CB-CD1 3.45Å; A183-I196 VanDerWaalsContact CB-CD1 3.45Å
184	R	95.4	Very high	94.6	Very high	105 Å²	105	55.4 Å²	55.4	40%	0.396	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-16.2	177	-68.6	167.6	-172.1	154	-6.4	113.7	R154 K180 L182 D193	R154-R184 PolarHBondContact NE-O 3.33Å; R154-R184 PolarHBondContact NH1-O 2.91Å; R154-R184 PolarHBondContact NH2-O 2.99Å; K180-R184 WeakPolarHBondContact O-CB 3.32Å; K180-R184 WeakPolarHBondContact O-CD 3.43Å; K180-R184 WeakPolarHBondContact O-CG 3.34Å; K180-R184 PolarHBondContact O-N 3.46Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 3.41Å; R184-D193 IonicContact CZ-OD1 3.3Å; R184-D193 IonicContact CZ-OD2 3.99Å; R184-D193 IonicContact NE-OD1 2.58Å; R184-D193 PolarHBondContact NE-OD1 2.98Å; R184-D193 IonicContact NE-OD2 3.7Å; R184-D193 PolarHBondContact NE-OD2 3.07Å; R184-D193 IonicContact NH2-OD1 3.56Å; R184-D193 PolarHBondContact NH2-OD1 3.08Å; R184-D193 IonicContact NH2-OD2 3.65Å; R184-D193 PolarHBondContact NH2-OD2 2.83Å
185	S	95.1	Very high	95.3	Very high	68 Å²	68	56.3 Å²	56.3	48%	0.476	30%	0.297	S	S	.	.	H	α-helix	trans	-86.4	-32.7	177	-59.8	0	0	0	0	112.3	A181 L182 A183	A181-S185 PolarHBondContact O-N 2.98Å; A181-S185 PolarHBondContact O-OG 3.2Å; L182-S185 WeakPolarHBondContact O-CB 3.45Å; L182-S185 PolarHBondContact O-N 3.09Å; A183-S185 PolarHBondContact O-N 3.28Å; A183-S185 VanDerWaalsContact O-N 3.12Å
186	Y	95.2	Very high	95.7	Very high	152 Å²	152	54.9 Å²	54.9	60%	0.596	28%	0.282	S	S	*	.	H	α-helix	trans	-121.4	-30.9	-166.1	-60.2	-63.9	0	0	0	115.5	R154 V155 L182 A183	R154-Y186 WeakPolarHBondContact CA-O 3.45Å; V155-Y186 PolarHBondContact N-O 3.46Å; L182-Y186 HydrophobicContact CD2-CE2 4.06Å; L182-Y186 VanDerWaalsContact O-CD2 3.22Å; L182-Y186 WeakPolarHBondContact O-CD2 3.48Å; L182-Y186 PolarHBondContact O-N 2.92Å; A183-Y186 PolarHBondContact O-N 3.43Å
187	V	97.2	Very high	95.7	Very high	17 Å²	17	57.2 Å²	57.2	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	161.4	-166.9	-66.8	0	0	0	0	112.3	V155 I157 V165 A183 W189 I192	V155-V187 CarbonylContact O-C 3.5Å; V155-V187 VanDerWaalsContact O-CA 3.32Å; V155-V187 WeakPolarHBondContact O-CA 3.33Å; I157-V187 HydrophobicContact CD1-CG1 3.99Å; I157-V187 HydrophobicContact CG1-CB 3.92Å; I157-V187 HydrophobicContact CG1-CG1 3.88Å; V165-V187 HydrophobicContact CG1-CB 4.48Å; V165-V187 HydrophobicContact CG1-CG1 4.16Å; V165-V187 HydrophobicContact CG1-CG2 3.99Å; A183-V187 HydrophobicContact CB-CG2 4.2Å; A183-V187 WeakPolarHBondContact O-CG2 3.48Å; A183-V187 PolarHBondContact O-N 2.9Å; V187-W189 HydrophobicContact CB-CZ3 4.04Å; V187-W189 HydrophobicContact CG2-CH2 4.45Å; V187-W189 HydrophobicContact CG2-CZ3 3.77Å; V187-I192 HydrophobicContact CG2-CD1 3.82Å
188	W	98	Very high	95.8	Very high	19 Å²	19	58.4 Å²	58.4	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	143.7	175.2	-175.6	77.9	0	0	0	112.4	A134 Y135 K138 W151 R154 V155 V156 I157 P190	A134-W188 HydrophobicContact CB-CH2 4.5Å; Y135-W188 AromaticContact CD1-CH2 3.99Å; Y135-W188 HydrophobicContact CD1-CH2 3.99Å; Y135-W188 AromaticContact CD1-CZ3 3.68Å; Y135-W188 HydrophobicContact CD1-CZ3 3.68Å; Y135-W188 HydrophobicContact CE1-CH2 4.03Å; Y135-W188 AromaticContact CE1-CZ3 3.54Å; Y135-W188 HydrophobicContact CE1-CZ3 3.54Å; K138-W188 HydrophobicContact CD-CH2 3.86Å; K138-W188 HydrophobicContact CD-CZ2 3.47Å; K138-W188 VanDerWaalsContact CD-CZ2 3.47Å; W151-W188 HydrophobicContact CD2-CG 4.41Å; W151-W188 HydrophobicContact CE3-CB 3.98Å; W151-W188 AromaticContact CE3-CD1 3.28Å; W151-W188 AromaticContact CE3-CD2 3.86Å; W151-W188 HydrophobicContact CE3-CD2 3.86Å; W151-W188 AromaticContact CE3-CG 3.4Å; W151-W188 HydrophobicContact CE3-CG 3.4Å; W151-W188 AromaticContact CE3-NE1 3.64Å; W151-W188 AromaticContact CZ3-CD1 3.3Å; W151-W188 AromaticContact CZ3-CG 3.92Å; W151-W188 HydrophobicContact CZ3-CG 3.92Å; W151-W188 AromaticContact CZ3-NE1 3.53Å; R154-W188 HydrophobicContact CB-CB 4.16Å; V155-W188 PolarHBondContact O-N 3.03Å; V156-W188 CarbonylContact C-O 3.6Å; V156-W188 VanDerWaalsContact CA-O 3.24Å; V156-W188 WeakPolarHBondContact CA-O 3.4Å; V156-W188 HydrophobicContact CB-CE3 4.4Å; V156-W188 HydrophobicContact CG1-CE3 3.89Å; V156-W188 HydrophobicContact CG1-CZ3 4.11Å; V156-W188 HydrophobicContact CG2-CE3 3.85Å; V156-W188 HydrophobicContact CG2-CZ3 4.41Å; I157-W188 PolarHBondContact N-O 3.47Å; W188-P190 HydrophobicContact CH2-CG 4.12Å
189	W	97.5	Very high	95.9	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.278	C	S	.	.			trans	-156.8	164.4	161	57	93.4	0	0	0	108.3	I157 Q162 V165 L166 V187 N191 I192 D195	I157-W189 HydrophobicContact CB-CE3 3.68Å; I157-W189 HydrophobicContact CB-CZ3 4.04Å; I157-W189 HydrophobicContact CG1-CE3 3.9Å; I157-W189 HydrophobicContact CG1-CZ3 3.93Å; I157-W189 HydrophobicContact CG2-CE3 4.44Å; Q162-W189 HydrophobicContact CB-CZ2 4.29Å; Q162-W189 HydrophobicContact CG-CD2 3.78Å; Q162-W189 HydrophobicContact CG-CE3 4.22Å; Q162-W189 HydrophobicContact CG-CG 4Å; Q162-W189 HydrophobicContact CG-CZ2 4.22Å; V165-W189 HydrophobicContact CB-CH2 4.24Å; V165-W189 HydrophobicContact CB-CZ3 4.33Å; V165-W189 HydrophobicContact CG1-CH2 3.88Å; V165-W189 HydrophobicContact CG1-CZ3 3.89Å; L166-W189 HydrophobicContact CD2-CH2 4.47Å; L166-W189 HydrophobicContact CD2-CZ2 4.18Å; L166-W189 HydrophobicContact CG-CZ2 4.32Å; V187-W189 HydrophobicContact CB-CZ3 4.04Å; V187-W189 HydrophobicContact CG2-CH2 4.45Å; V187-W189 HydrophobicContact CG2-CZ3 3.77Å; W189-N191 PolarHBondContact O-N 2.71Å; W189-I192 HydrophobicContact CD2-CB 3.91Å; W189-I192 HydrophobicContact CD2-CD1 3.82Å; W189-I192 HydrophobicContact CD2-CG1 3.94Å; W189-I192 HydrophobicContact CE3-CD1 3.55Å; W189-I192 HydrophobicContact CE3-CG1 4.17Å; W189-I192 HydrophobicContact CG-CB 4.17Å; W189-I192 HydrophobicContact CH2-CD1 3.5Å; W189-I192 HydrophobicContact CH2-CG1 3.76Å; W189-I192 HydrophobicContact CZ2-CB 4.15Å; W189-I192 HydrophobicContact CZ2-CD1 3.77Å; W189-I192 HydrophobicContact CZ2-CG1 3.49Å; W189-I192 VanDerWaalsContact CZ2-CG1 3.49Å; W189-I192 HydrophobicContact CZ3-CD1 3.39Å; W189-I192 HydrophobicContact CZ3-CG1 4.1Å; W189-I192 PolarHBondContact O-N 2.9Å; W189-D195 PolarHBondContact NE1-OD2 3.44Å
190	P	95.9	Very high	95.5	Very high	34 Å²	34	58.3 Å²	58.3	22%	0.221	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	132.1	175.1	-23	34.2	0	0	0	110.8	A134 Y135 W188 I192	A134-P190 HydrophobicContact CB-CB 4Å; A134-P190 HydrophobicContact CB-CG 3.79Å; Y135-P190 HydrophobicContact CE1-CG 4.39Å; Y135-P190 HydrophobicContact CE2-CG 4.08Å; Y135-P190 WeakPolarHBondContact OH-CD 3.39Å; W188-P190 HydrophobicContact CH2-CG 4.12Å; P190-I192 VanDerWaalsContact C-N 3.32Å; P190-I192 PolarHBondContact O-N 3.45Å
191	N	95.2	Very high	95.5	Very high	119 Å²	119	59.8 Å²	59.8	64%	0.636	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	19.7	177.7	-48.6	-28.9	0	0	0	116.6	W189 D193 S194 D195	W189-N191 PolarHBondContact O-N 2.71Å; N191-D193 PolarHBondContact O-N 2.98Å; N191-D193 VanDerWaalsContact O-N 3.08Å; N191-S194 WeakPolarHBondContact O-CB 3.5Å; N191-S194 PolarHBondContact O-N 2.97Å; N191-D195 PolarHBondContact O-N 2.81Å
192	I	97.2	Very high	95.6	Very high	14 Å²	14	60.3 Å²	60.3	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-48.6	-38.4	177	-175.7	164.1	0	0	0	114.9	A183 V187 W189 P190 I196	A183-I192 HydrophobicContact CB-CD1 3.77Å; A183-I192 HydrophobicContact CB-CG1 4.28Å; V187-I192 HydrophobicContact CG2-CD1 3.82Å; W189-I192 HydrophobicContact CD2-CB 3.91Å; W189-I192 HydrophobicContact CD2-CD1 3.82Å; W189-I192 HydrophobicContact CD2-CG1 3.94Å; W189-I192 HydrophobicContact CE3-CD1 3.55Å; W189-I192 HydrophobicContact CE3-CG1 4.17Å; W189-I192 HydrophobicContact CG-CB 4.17Å; W189-I192 HydrophobicContact CH2-CD1 3.5Å; W189-I192 HydrophobicContact CH2-CG1 3.76Å; W189-I192 HydrophobicContact CZ2-CB 4.15Å; W189-I192 HydrophobicContact CZ2-CD1 3.77Å; W189-I192 HydrophobicContact CZ2-CG1 3.49Å; W189-I192 VanDerWaalsContact CZ2-CG1 3.49Å; W189-I192 HydrophobicContact CZ3-CD1 3.39Å; W189-I192 HydrophobicContact CZ3-CG1 4.1Å; W189-I192 PolarHBondContact O-N 2.9Å; P190-I192 VanDerWaalsContact C-N 3.32Å; P190-I192 PolarHBondContact O-N 3.45Å; I192-I196 HydrophobicContact CG1-CD1 3.77Å; I192-I196 HydrophobicContact CG1-CG1 4.39Å; I192-I196 WeakPolarHBondContact O-CB 3.41Å; I192-I196 WeakPolarHBondContact O-CD1 3.49Å; I192-I196 WeakPolarHBondContact O-CG1 3.32Å; I192-I196 PolarHBondContact O-N 2.89Å
193	D	96.6	Very high	95.7	Very high	51 Å²	51	60.5 Å²	60.5	27%	0.273	31%	0.311	S	S	.	.	H	α-helix	trans	-69.2	-34.8	-179.9	-77.6	-21	0	0	0	112.2	K180 R184 N191 E197	K180-D193 WeakPolarHBondContact CE-O 3.48Å; R184-D193 IonicContact CZ-OD1 3.3Å; R184-D193 IonicContact CZ-OD2 3.99Å; R184-D193 IonicContact NE-OD1 2.58Å; R184-D193 PolarHBondContact NE-OD1 2.98Å; R184-D193 IonicContact NE-OD2 3.7Å; R184-D193 PolarHBondContact NE-OD2 3.07Å; R184-D193 IonicContact NH2-OD1 3.56Å; R184-D193 PolarHBondContact NH2-OD1 3.08Å; R184-D193 IonicContact NH2-OD2 3.65Å; R184-D193 PolarHBondContact NH2-OD2 2.83Å; N191-D193 PolarHBondContact O-N 2.98Å; N191-D193 VanDerWaalsContact O-N 3.08Å; D193-E197 WeakPolarHBondContact O-CG 3.29Å; D193-E197 PolarHBondContact O-N 2.99Å; D193-E197 VanDerWaalsContact O-N 3.14Å
194	S	96.8	Very high	95.7	Very high	56 Å²	56	64.1 Å²	64.1	39%	0.392	33%	0.33	S	S	.	.	H	α-helix	trans	-72.7	-43.2	175.2	-59.2	0	0	0	0	110.9	N191 I196 E197 D198	N191-S194 WeakPolarHBondContact O-CB 3.5Å; N191-S194 PolarHBondContact O-N 2.97Å; S194-I196 PolarHBondContact O-N 3Å; S194-E197 WeakPolarHBondContact O-CA 3.16Å; S194-E197 WeakPolarHBondContact O-CB 3.45Å; S194-E197 PolarHBondContact O-N 3.11Å; S194-D198 PolarHBondContact O-N 3.14Å
195	D	97.3	Very high	95.7	Very high	47 Å²	47	61.5 Å²	61.5	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-32.4	176.1	-62.4	-15.5	0	0	0	111.7	W189 N191 F199	W189-D195 PolarHBondContact NE1-OD2 3.44Å; N191-D195 PolarHBondContact O-N 2.81Å; D195-F199 VanDerWaalsContact O-CB 3.23Å; D195-F199 WeakPolarHBondContact O-CB 3.48Å; D195-F199 PolarHBondContact O-N 3.04Å
196	I	97.1	Very high	95.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-71.4	-34.7	173	-71.6	166.5	0	0	0	111.6	L166 I176 M179 K180 A183 I192 S194 V200	L166-I196 HydrophobicContact CD2-CG1 3.61Å; I176-I196 HydrophobicContact CD1-CG2 3.53Å; I176-I196 VanDerWaalsContact CD1-O 3.3Å; I176-I196 WeakPolarHBondContact CD1-O 3.46Å; M179-I196 HydrophobicContact CB-CG2 4.01Å; K180-I196 HydrophobicContact CG-CB 4.46Å; K180-I196 HydrophobicContact CG-CD1 4.31Å; K180-I196 HydrophobicContact CG-CG2 3.82Å; A183-I196 HydrophobicContact CB-CD1 3.45Å; A183-I196 VanDerWaalsContact CB-CD1 3.45Å; I192-I196 HydrophobicContact CG1-CD1 3.77Å; I192-I196 HydrophobicContact CG1-CG1 4.39Å; I192-I196 WeakPolarHBondContact O-CB 3.41Å; I192-I196 WeakPolarHBondContact O-CD1 3.49Å; I192-I196 WeakPolarHBondContact O-CG1 3.32Å; I192-I196 PolarHBondContact O-N 2.89Å; S194-I196 PolarHBondContact O-N 3Å; I196-V200 WeakPolarHBondContact O-CG2 3.4Å; I196-V200 PolarHBondContact O-N 2.89Å
197	E	96.1	Very high	95.8	Very high	105 Å²	105	54.6 Å²	54.6	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-67.5	-42.6	174.5	-75.3	169.8	-171.1	0	0	112.1	I176 K180 D193 S194 F199	I176-E197 HydrophobicContact CD1-CG 4.07Å; K180-E197 IonicContact NZ-OE1 3.71Å; K180-E197 PolarHBondContact NZ-OE1 3.41Å; D193-E197 WeakPolarHBondContact O-CG 3.29Å; D193-E197 PolarHBondContact O-N 2.99Å; D193-E197 VanDerWaalsContact O-N 3.14Å; S194-E197 WeakPolarHBondContact O-CA 3.16Å; S194-E197 WeakPolarHBondContact O-CB 3.45Å; S194-E197 PolarHBondContact O-N 3.11Å; E197-F199 PolarHBondContact O-N 3.47Å
198	D	95.8	Very high	95.6	Very high	142 Å²	142	57.5 Å²	57.5	76%	0.759	31%	0.31	S	S	*	.	H	α-helix	trans	-71	-21.4	179.2	-68.6	-24.2	0	0	0	112.7	S194	S194-D198 PolarHBondContact O-N 3.14Å
199	F	92.9	Very high	95.5	Very high	60 Å²	60	60.7 Å²	60.7	26%	0.263	33%	0.33	S	S	.	.	H	α-helix	trans	-86.3	-32.1	-178	-175.9	-90.6	0	0	0	114.3	L166 N167 H170 M179 D195 E197	L166-F199 HydrophobicContact CB-CD1 4.4Å; L166-F199 HydrophobicContact CB-CD2 4.04Å; L166-F199 HydrophobicContact CB-CE1 4.5Å; L166-F199 HydrophobicContact CB-CE2 4.17Å; L166-F199 HydrophobicContact CB-CG 4.17Å; L166-F199 HydrophobicContact CB-CZ 4.37Å; L166-F199 HydrophobicContact CD1-CB 4.36Å; L166-F199 HydrophobicContact CD1-CD2 4.11Å; L166-F199 HydrophobicContact CD1-CG 4.31Å; N167-F199 WeakPolarHBondContact OD1-CZ 3.17Å; H170-F199 HydrophobicContact CB-CD1 4.41Å; H170-F199 HydrophobicContact CB-CE1 3.55Å; H170-F199 HydrophobicContact CB-CZ 4.36Å; H170-F199 AromaticContact CG-CE1 3.64Å; M179-F199 HydrophobicContact CE-CD1 4.05Å; M179-F199 HydrophobicContact CE-CE1 4.41Å; D195-F199 VanDerWaalsContact O-CB 3.23Å; D195-F199 WeakPolarHBondContact O-CB 3.48Å; D195-F199 PolarHBondContact O-N 3.04Å; E197-F199 PolarHBondContact O-N 3.47Å
200	V	87.1	Confident	95.3	Very high	99 Å²	99	66.1 Å²	66.1	60%	0.6	36%	0.36	S	S	*	.			trans	-87.4	0	-171.3	173	0	0	0	0	112.9	I176 M179 I196	I176-V200 HydrophobicContact CB-CG1 4.31Å; I176-V200 HydrophobicContact CD1-CB 3.98Å; I176-V200 HydrophobicContact CD1-CG1 4.48Å; I176-V200 HydrophobicContact CD1-CG2 3.93Å; M179-V200 HydrophobicContact CE-CG2 3.93Å; M179-V200 HydrophobicContact SD-CG2 3.35Å; M179-V200 WeakPolarHBondContact SD-CG2 3.49Å; I196-V200 WeakPolarHBondContact O-CG2 3.4Å; I196-V200 PolarHBondContact O-N 2.89Å

Retrieved 200 of 200 residues in 131.4 ms (Link to these results)

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