A0AA82ME68_SCHMA Loading...

Holocytochrome c-type synthase AlphaSync

Lyase that catalyzes the covalent linking of the heme group to the cytochrome C apoprotein to produce the mature functional cytochrome.

AlphaFold DB , UniProt , Accession A0AA82ME68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 175 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	35.1	Very low	254 Å²	254	155.6 Å²	155.6	100%	1.251	86%	0.862	S	S	*	*				0	112.3	0	-65.6	155.1	178.9	0	0	106.1
2	G	36.1	Very low	34.9	Very low	77 Å²	77	153.5 Å²	153.5	79%	0.794	86%	0.856	S	S	*	*			cis	-144.7	157.8	0.3	0	0	0	0	0	110
3	L	31.8	Very low	34.5	Very low	178 Å²	178	155.7 Å²	155.7	93%	0.932	86%	0.855	S	S	*	*			trans	-96.2	127	178.1	-70.3	160.8	0	0	0	108.8
4	I	43.6	Very low	34.3	Very low	168 Å²	168	157.4 Å²	157.4	86%	0.862	85%	0.854	S	S	*	*			trans	-146.3	89.9	164.2	-38.3	174.6	0	0	0	106.2
5	S	38.2	Very low	34.2	Very low	107 Å²	107	159.9 Å²	159.9	75%	0.748	85%	0.854	S	S	*	*				78.5	87.9	94.6	-174.9	0	0	0	0	113.1	R7	S5-R7 PolarHBondContact O-N 3.38Å
6	S	33.3	Very low	33.9	Very low	120 Å²	120	158.4 Å²	158.4	84%	0.839	84%	0.84	S	S	*	*			trans	-64.4	116.6	167.1	-57.2	0	0	0	0	110.7
7	R	35.2	Very low	34.1	Very low	210 Å²	210	157.9 Å²	157.9	79%	0.792	84%	0.836	S	S	*	*			trans	-122.2	87.8	165.1	-160.8	173.2	-172.6	-173.9	1.5	108.7	S5 Q9	S5-R7 PolarHBondContact O-N 3.38Å; R7-Q9 HydrophobicContact CG-CG 4.49Å; R7-Q9 PolarHBondContact O-N 3.08Å; R7-Q9 VanDerWaalsContact O-N 3.08Å
8	S	32.1	Very low	33.9	Very low	117 Å²	117	158 Å²	158	82%	0.818	84%	0.836	S	S	*	*			trans	-66.6	100.2	167.1	-51.7	0	0	0	0	108
9	Q	36.9	Very low	33.8	Very low	160 Å²	160	159.8 Å²	159.8	75%	0.748	83%	0.83	S	S	*	*			trans	-77.6	126.2	173	-74.9	179.2	-28.9	0	0	109.3	R7	R7-Q9 HydrophobicContact CG-CG 4.49Å; R7-Q9 PolarHBondContact O-N 3.08Å; R7-Q9 VanDerWaalsContact O-N 3.08Å
10	Q	31	Very low	33.7	Very low	181 Å²	181	160.7 Å²	160.7	85%	0.846	83%	0.83	S	S	*	*			trans	-62.2	131.4	178.9	-68.3	164.6	-47	0	0	110.4	V12	Q10-V12 PolarHBondContact O-N 3.14Å; Q10-V12 VanDerWaalsContact O-N 3.14Å
11	V	28.5	Very low	34	Very low	140 Å²	140	157.2 Å²	157.2	85%	0.848	82%	0.819	S	S	*	*			trans	-67.7	103.7	168.9	175.8	0	0	0	0	107.6	Q13	V11-Q13 PolarHBondContact O-N 3.09Å
12	V	33.1	Very low	34	Very low	130 Å²	130	149.8 Å²	149.8	79%	0.788	79%	0.79	S	S	*	*			trans	-80.5	109.5	166.7	178.1	0	0	0	0	106.8	Q10 E14	Q10-V12 PolarHBondContact O-N 3.14Å; Q10-V12 VanDerWaalsContact O-N 3.14Å; V12-E14 PolarHBondContact O-N 3.4Å; V12-E14 VanDerWaalsContact O-N 3.09Å
13	Q	29.5	Very low	34.3	Very low	182 Å²	182	153.6 Å²	153.6	85%	0.85	79%	0.79	S	S	*	*			trans	-70.4	98.2	175.3	-141.8	174.1	-9.4	0	0	108	V11 K15	V11-Q13 PolarHBondContact O-N 3.09Å; Q13-K15 PolarHBondContact O-N 3.15Å; Q13-K15 VanDerWaalsContact O-N 3.12Å
14	E	31.7	Very low	34.6	Very low	179 Å²	179	152.9 Å²	152.9	84%	0.836	78%	0.782	S	S	*	*			trans	-66.4	106.6	174.3	-170.7	168.5	-172.3	0	0	108.6	V12 E16	V12-E14 PolarHBondContact O-N 3.4Å; V12-E14 VanDerWaalsContact O-N 3.09Å; E14-E16 PolarHBondContact O-N 3.12Å; E14-E16 VanDerWaalsContact O-N 3.15Å
15	K	32	Very low	34	Very low	196 Å²	196	155.4 Å²	155.4	85%	0.852	79%	0.787	S	S	*	*			trans	-63.2	112.9	171.6	-94.5	-178.4	173.3	-176.6	0	108.5	Q13 I17	Q13-K15 PolarHBondContact O-N 3.15Å; Q13-K15 VanDerWaalsContact O-N 3.12Å; K15-I17 PolarHBondContact O-N 2.72Å
16	E	30.4	Very low	33.6	Very low	136 Å²	136	153 Å²	153	64%	0.636	78%	0.779	S	S	*	*			trans	-48.2	107.7	172.3	-167.2	167.8	-154.3	0	0	110.6	E14 L18 R19	E14-E16 PolarHBondContact O-N 3.12Å; E14-E16 VanDerWaalsContact O-N 3.15Å; E16-L18 PolarHBondContact O-N 2.81Å; E16-R19 IonicContact OE1-CZ 3.16Å; E16-R19 IonicContact OE1-NE 2.72Å; E16-R19 PolarHBondContact OE1-NE 3.02Å; E16-R19 IonicContact OE1-NH2 2.81Å; E16-R19 PolarHBondContact OE1-NH2 3.49Å
17	I	36.3	Very low	33.5	Very low	150 Å²	150	152.1 Å²	152.1	77%	0.769	79%	0.789	S	S	*	*			trans	-65.2	115.6	173.7	-61	173.5	0	0	0	106.8	K15 R19	K15-I17 PolarHBondContact O-N 2.72Å; I17-R19 PolarHBondContact O-N 3.2Å
18	L	31.2	Very low	33.5	Very low	159 Å²	159	145 Å²	145	83%	0.832	78%	0.78	S	S	*	*			trans	-12.5	96.3	171.2	-166.4	77.2	0	0	0	113.5	E16 E20	E16-L18 PolarHBondContact O-N 2.81Å; L18-E20 PolarHBondContact O-N 3.06Å
19	R	31	Very low	34.1	Very low	192 Å²	192	144.3 Å²	144.3	73%	0.725	77%	0.774	S	S	*	*			trans	-66.3	115.7	173.1	-65.4	-167.2	-168.1	-151.3	5.5	109.4	E16 I17	E16-R19 IonicContact OE1-CZ 3.16Å; E16-R19 IonicContact OE1-NE 2.72Å; E16-R19 PolarHBondContact OE1-NE 3.02Å; E16-R19 IonicContact OE1-NH2 2.81Å; E16-R19 PolarHBondContact OE1-NH2 3.49Å; I17-R19 PolarHBondContact O-N 3.2Å
20	E	33.3	Very low	34.5	Very low	177 Å²	177	140.5 Å²	140.5	83%	0.827	76%	0.763	S	S	*	*			trans	42.8	115.6	144.2	-67.3	171.2	166.6	0	0	117.8	L18	L18-E20 PolarHBondContact O-N 3.06Å
21	C	40	Very low	35.6	Very low	89 Å²	89	137.9 Å²	137.9	60%	0.601	76%	0.759	S	S	*	*			trans	-49	133	160.5	-64.8	0	0	0	0	109.6	I23 W96	C21-I23 VanDerWaalsContact C-N 3.3Å; C21-I23 PolarHBondContact O-N 2.79Å; C21-W96 HydrophobicContact CB-CZ3 4.21Å
22	P	38.8	Very low	36.6	Very low	98 Å²	98	138.4 Å²	138.4	64%	0.636	76%	0.757	S	S	*	*			trans	-67.5	92.8	176.9	27.1	-31.8	0	0	0	108.7	Q24	P22-Q24 VanDerWaalsContact C-N 3.31Å; P22-Q24 PolarHBondContact O-N 2.92Å
23	I	42.2	Very low	37.6	Very low	157 Å²	157	137.4 Å²	137.4	81%	0.805	74%	0.744	S	S	*	*			trans	-71	96.1	167.8	-58.8	179.5	0	0	0	105.5	C21 K25	C21-I23 VanDerWaalsContact C-N 3.3Å; C21-I23 PolarHBondContact O-N 2.79Å; I23-K25 PolarHBondContact O-N 3.2Å
24	Q	38.4	Very low	38.9	Very low	162 Å²	162	131.6 Å²	131.6	76%	0.757	73%	0.733	S	S	*	*			trans	-55.1	127.3	166.8	-65.7	-170.4	22.8	0	0	108.2	P22 G26	P22-Q24 VanDerWaalsContact C-N 3.31Å; P22-Q24 PolarHBondContact O-N 2.92Å; Q24-G26 VanDerWaalsContact C-N 3.26Å; Q24-G26 PolarHBondContact O-N 3.27Å
25	K	31.5	Very low	40.3	Very low	222 Å²	222	128.7 Å²	128.7	97%	0.965	72%	0.716	S	S	*	*	S	Bend	trans	-64.9	87.9	169.8	-80.6	-179.3	173.4	176.4	0	108.8	I23	I23-K25 PolarHBondContact O-N 3.2Å
26	G	30.1	Very low	42.1	Very low	56 Å²	56	129 Å²	129	58%	0.577	72%	0.717	S	S	*	*	S	Bend	trans	-177.4	109.6	174.8	0	0	0	0	0	109.2	Q24 G28	Q24-G26 VanDerWaalsContact C-N 3.26Å; Q24-G26 PolarHBondContact O-N 3.27Å; G26-G28 VanDerWaalsContact C-N 3.27Å; G26-G28 PolarHBondContact O-N 3.14Å
27	G	30.9	Very low	44.4	Very low	102 Å²	102	128.3 Å²	128.3	100%	1.052	72%	0.718	S	S	*	*	S	Bend	trans	-71.5	69.1	-172.4	0	0	0	0	0	114.5
28	G	34.4	Very low	46.8	Very low	59 Å²	59	125 Å²	125	61%	0.608	70%	0.701	S	S	*	*	S	Bend	trans	-154.4	125.6	171.1	0	0	0	0	0	110.9	G26	G26-G28 VanDerWaalsContact C-N 3.27Å; G26-G28 PolarHBondContact O-N 3.14Å
29	C	44.6	Very low	49.4	Very low	104 Å²	104	119.2 Å²	119.2	70%	0.703	67%	0.674	S	S	*	*			trans	-58.1	126.4	168.4	-64.4	0	0	0	0	108.7	V31	C29-V31 VanDerWaalsContact C-N 3.28Å; C29-V31 HydrophobicContact CB-CG2 4.34Å; C29-V31 PolarHBondContact O-N 2.96Å
30	P	45.4	Very low	52	Low	79 Å²	79	114.3 Å²	114.3	51%	0.513	67%	0.667	S	S	.	*	S	Bend	trans	-79	81.9	-178.7	31.9	-32	0	0	0	108.8
31	V	53.7	Low	54.6	Low	126 Å²	126	108.9 Å²	108.9	76%	0.764	64%	0.641	S	S	*	*			trans	-148.8	56.5	166.8	-113.1	0	0	0	0	108.7	C29	C29-V31 VanDerWaalsContact C-N 3.28Å; C29-V31 HydrophobicContact CB-CG2 4.34Å; C29-V31 PolarHBondContact O-N 2.96Å
32	D	49.5	Very low	56.8	Low	151 Å²	151	106.2 Å²	106.2	81%	0.807	62%	0.621	S	S	*	*			trans	-120.9	76	152.8	-166.7	6.3	0	0	0	108.1
33	H	54	Low	59	Low	109 Å²	109	105.9 Å²	105.9	51%	0.505	61%	0.613	S	S	.	*	S	Bend	trans	-106.3	45.9	173.2	-75.2	-52.2	0	0	0	110.1	Y35	H33-Y35 HydrophobicContact CB-CD2 3.92Å; H33-Y35 HydrophobicContact CB-CE2 3.96Å; H33-Y35 WeakPolarHBondContact O-CD2 3.15Å; H33-Y35 PolarHBondContact O-N 2.76Å
34	G	56.8	Low	61.1	Low	61 Å²	61	102 Å²	102	63%	0.629	59%	0.593	S	S	*	*			trans	52	16.8	163.4	0	0	0	0	0	117.1	K36	G34-K36 PolarHBondContact O-N 3.07Å; G34-K36 VanDerWaalsContact O-N 3.1Å
35	Y	62.2	Low	63.5	Low	118 Å²	118	95.4 Å²	95.4	46%	0.463	56%	0.564	S	S	.	*			trans	-75.5	105.1	-179.1	-81.2	-78.6	0	0	0	107	H33 D37 L38 P45	H33-Y35 HydrophobicContact CB-CD2 3.92Å; H33-Y35 HydrophobicContact CB-CE2 3.96Å; H33-Y35 WeakPolarHBondContact O-CD2 3.15Å; H33-Y35 PolarHBondContact O-N 2.76Å; Y35-D37 PolarHBondContact O-N 3.24Å; Y35-L38 HydrophobicContact CG-CD2 4.44Å; Y35-P45 HydrophobicContact CD1-CB 3.69Å; Y35-P45 HydrophobicContact CD2-CB 4.23Å; Y35-P45 HydrophobicContact CE1-CB 3.77Å; Y35-P45 HydrophobicContact CE2-CB 4.3Å; Y35-P45 HydrophobicContact CG-CB 3.94Å
36	K	68.6	Low	66.2	Low	201 Å²	201	88.4 Å²	88.4	87%	0.874	54%	0.541	S	S	*	.	S	Bend	trans	-69.5	-25.2	175.9	-65.6	-175.2	179	-178.9	0	112	G34	G34-K36 PolarHBondContact O-N 3.07Å; G34-K36 VanDerWaalsContact O-N 3.1Å
37	D	80.2	Confident	69.1	Low	123 Å²	123	90 Å²	90	66%	0.658	54%	0.541	S	S	*	.			trans	-112.5	62.1	-173	-57.8	-29.1	0	0	0	111.5	Y35 P46	Y35-D37 PolarHBondContact O-N 3.24Å; D37-P46 WeakPolarHBondContact O-CD 3.45Å
38	L	85.1	Confident	72.1	Confident	81 Å²	81	88.5 Å²	88.5	42%	0.424	51%	0.509	S	S	.	.			trans	-79.2	135.7	168.5	-64.9	178.2	0	0	0	109.6	Y35 P45	Y35-L38 HydrophobicContact CG-CD2 4.44Å; L38-P45 HydrophobicContact CD2-CB 4.18Å
39	S	85.7	Confident	75	Confident	36 Å²	36	88.6 Å²	88.6	25%	0.252	49%	0.494	S	S	.	.			trans	-63.1	128.4	173.9	169.8	0	0	0	0	109.8	E41 N42 L43 M44	S39-E41 PolarHBondContact O-N 2.9Å; S39-E41 PolarHBondContact OG-N 3.24Å; S39-N42 VanDerWaalsContact CB-OD1 3.27Å; S39-N42 WeakPolarHBondContact CB-OD1 3.32Å; S39-N42 PolarHBondContact OG-OD1 3.16Å; S39-L43 WeakPolarHBondContact O-CA 3.43Å; S39-L43 PolarHBondContact O-N 2.99Å; S39-M44 PolarHBondContact N-O 3.06Å
40	P	87.2	Confident	77.5	Confident	89 Å²	89	89.5 Å²	89.5	58%	0.578	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.8	177	26.5	-33.6	0	0	0	111.4	N42 R144	P40-N42 PolarHBondContact O-N 3.27Å; P40-R144 PolarHBondContact O-NE 3.5Å; P40-R144 PolarHBondContact O-NH2 3.28Å
41	E	86.4	Confident	79.9	Confident	63 Å²	63	90.2 Å²	90.2	29%	0.294	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-32.8	-173.8	-57.7	-176.7	166.3	0	0	113.4	S39 K70 W79 R144 F145	S39-E41 PolarHBondContact O-N 2.9Å; S39-E41 PolarHBondContact OG-N 3.24Å; E41-K70 IonicContact OE1-NZ 3.48Å; E41-K70 PolarHBondContact OE1-NZ 2.91Å; E41-K70 IonicContact OE2-NZ 2.68Å; E41-K70 PolarHBondContact OE2-NZ 3.39Å; E41-W79 HydrophobicContact CB-CH2 3.79Å; E41-W79 HydrophobicContact CB-CZ3 4.17Å; E41-R144 CarbonylContact O-C 3.56Å; E41-R144 WeakPolarHBondContact O-CA 3.07Å; E41-R144 VanDerWaalsContact O-CB 3.28Å; E41-R144 WeakPolarHBondContact O-CB 3.29Å; E41-F145 PolarHBondContact O-N 2.92Å
42	N	87	Confident	81.7	Confident	34 Å²	34	85.3 Å²	85.3	18%	0.182	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	4.9	-172.4	61.6	18	0	0	0	114.3	S39 P40 M44 W79 F145	S39-N42 VanDerWaalsContact CB-OD1 3.27Å; S39-N42 WeakPolarHBondContact CB-OD1 3.32Å; S39-N42 PolarHBondContact OG-OD1 3.16Å; P40-N42 PolarHBondContact O-N 3.27Å; N42-M44 HydrophobicContact CB-CG 4.36Å; N42-M44 VanDerWaalsContact ND2-CE 3.3Å; N42-M44 WeakPolarHBondContact ND2-CE 3.39Å; N42-M44 PolarHBondContact O-N 2.86Å; N42-M44 WeakPolarHBondContact OD1-CB 3.42Å; N42-M44 PolarHBondContact OD1-N 2.93Å; N42-W79 HydrophobicContact CB-CZ3 4.38Å; N42-F145 WeakPolarHBondContact CA-O 3.18Å; N42-F145 HydrophobicContact CB-CB 4.01Å
43	L	85.7	Confident	83.8	Confident	90 Å²	90	84.5 Å²	84.5	47%	0.471	47%	0.47	S	S	.	.			trans	54.6	23.8	-179.3	-53.5	177.4	0	0	0	113.7	S39 A146	S39-L43 WeakPolarHBondContact O-CA 3.43Å; S39-L43 PolarHBondContact O-N 2.99Å; L43-A146 HydrophobicContact CD1-CB 3.88Å; L43-A146 HydrophobicContact CG-CB 4.13Å
44	M	85.4	Confident	85.5	Confident	76 Å²	76	83 Å²	83	37%	0.374	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-90.6	145.8	175.4	-64.6	-157.1	-63.1	0	0	110.9	S39 N42	S39-M44 PolarHBondContact N-O 3.06Å; N42-M44 HydrophobicContact CB-CG 4.36Å; N42-M44 VanDerWaalsContact ND2-CE 3.3Å; N42-M44 WeakPolarHBondContact ND2-CE 3.39Å; N42-M44 PolarHBondContact O-N 2.86Å; N42-M44 WeakPolarHBondContact OD1-CB 3.42Å; N42-M44 PolarHBondContact OD1-N 2.93Å
45	P	88.6	Confident	87.2	Confident	23 Å²	23	81.5 Å²	81.5	15%	0.149	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-65.5	168.2	167.3	31.3	-35.7	0	0	0	110.5	Y35 L38	Y35-P45 HydrophobicContact CD1-CB 3.69Å; Y35-P45 HydrophobicContact CD2-CB 4.23Å; Y35-P45 HydrophobicContact CE1-CB 3.77Å; Y35-P45 HydrophobicContact CE2-CB 4.3Å; Y35-P45 HydrophobicContact CG-CB 3.94Å; L38-P45 HydrophobicContact CD2-CB 4.18Å
46	P	89.2	Confident	88.5	Confident	75 Å²	75	79.5 Å²	79.5	49%	0.487	46%	0.462	S	S	.	.	S	Bend	trans	-53.4	144.7	176.7	-25.7	35.8	0	0	0	111.7	D37 N48	D37-P46 WeakPolarHBondContact O-CD 3.45Å; P46-N48 PolarHBondContact O-N 3.33Å
47	P	90.3	Very high	89.7	Confident	90 Å²	90	71.4 Å²	71.4	58%	0.584	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-62.3	122.7	-175.9	25	-33.2	0	0	0	110.8	M86	P47-M86 HydrophobicContact CB-CE 3.62Å; P47-M86 HydrophobicContact CB-SD 4.05Å
48	N	93.6	Very high	90.3	Very high	71 Å²	71	71 Å²	71	38%	0.38	43%	0.431	S	S	.	.			trans	-112	111.3	172.7	-179.3	12	0	0	0	110	P46 L50 N89	P46-N48 PolarHBondContact O-N 3.33Å; N48-L50 WeakPolarHBondContact OD1-CB 3.21Å; N48-L50 PolarHBondContact OD1-N 3.27Å; N48-N89 PolarHBondContact O-ND2 3.42Å
49	Q	95.3	Very high	90.8	Very high	61 Å²	61	68 Å²	68	29%	0.285	42%	0.415	S	S	.	.			trans	-104.3	7.4	179.6	-63.7	-113.9	43.6	0	0	112.4	T61 S83 Q85 M86	Q49-T61 HydrophobicContact CB-CG2 4.15Å; Q49-T61 PolarHBondContact NE2-O 2.96Å; Q49-T61 PolarHBondContact OE1-O 3.28Å; Q49-T61 VanDerWaalsContact OE1-O 3.08Å; Q49-S83 PolarHBondContact OE1-OG 3.43Å; Q49-Q85 VanDerWaalsContact O-CG 3.27Å; Q49-Q85 WeakPolarHBondContact O-CG 3.38Å; Q49-M86 HydrophobicContact CG-CG 3.98Å; Q49-M86 HydrophobicContact CG-SD 4.26Å
50	L	96.6	Very high	91.3	Very high	123 Å²	123	68.7 Å²	68.7	64%	0.644	42%	0.42	S	S	*	.	S	Bend	trans	-79.3	142.3	176.4	-61.8	175.3	0	0	0	110	N48 Q85 N89	N48-L50 WeakPolarHBondContact OD1-CB 3.21Å; N48-L50 PolarHBondContact OD1-N 3.27Å; L50-Q85 PolarHBondContact O-NE2 3.04Å; L50-N89 PolarHBondContact O-ND2 2.91Å
51	P	95.8	Very high	91.7	Very high	93 Å²	93	68.1 Å²	68.1	60%	0.604	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-55.1	138.6	169.5	-25.7	35.1	0	0	0	111.5
52	S	93.2	Very high	92.2	Very high	23 Å²	23	72.5 Å²	72.5	16%	0.161	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-79.1	153.1	176.5	-77.7	0	0	0	0	111.6	G54 Q55 N89 L92	S52-G54 PolarHBondContact O-N 3.47Å; S52-Q55 VanDerWaalsContact N-OE1 3.15Å; S52-Q55 WeakPolarHBondContact O-CB 3.45Å; S52-Q55 PolarHBondContact O-N 2.86Å; S52-Q55 VanDerWaalsContact O-N 3.07Å; S52-N89 PolarHBondContact OG-OD1 3.3Å; S52-L92 VanDerWaalsContact CB-CD1 3.5Å; S52-L92 WeakPolarHBondContact OG-CD1 3.42Å
53	P	92.6	Very high	92.6	Very high	135 Å²	135	75.4 Å²	75.4	88%	0.877	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	129.7	173.8	-25	34.3	0	0	0	111.7	Q55	P53-Q55 VanDerWaalsContact C-N 3.3Å; P53-Q55 PolarHBondContact O-N 2.82Å
54	G	89.6	Confident	93.1	Very high	78 Å²	78	76 Å²	76	80%	0.804	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	11.6	-179.3	0	0	0	0	0	115	S52 P56	S52-G54 PolarHBondContact O-N 3.47Å; G54-P56 WeakPolarHBondContact O-CD 3.21Å
55	Q	92.5	Very high	93.6	Very high	29 Å²	29	77.5 Å²	77.5	14%	0.136	45%	0.453	C	S	.	.			trans	-64.4	123.2	174.2	-176.8	177	-41.4	0	0	110.5	S52 P53 F57 W88	S52-Q55 VanDerWaalsContact N-OE1 3.15Å; S52-Q55 WeakPolarHBondContact O-CB 3.45Å; S52-Q55 PolarHBondContact O-N 2.86Å; S52-Q55 VanDerWaalsContact O-N 3.07Å; P53-Q55 VanDerWaalsContact C-N 3.3Å; P53-Q55 PolarHBondContact O-N 2.82Å; Q55-F57 WeakPolarHBondContact CG-O 3.46Å; Q55-F57 PolarHBondContact NE2-O 3.21Å; Q55-F57 PolarHBondContact O-N 3.33Å; Q55-W88 HydrophobicContact CG-CZ2 4.19Å
56	P	90.8	Very high	94	Very high	75 Å²	75	76.6 Å²	76.6	49%	0.487	45%	0.448	S	S	.	.	S	Bend	trans	-77	-19.2	-167.9	26.6	-33.4	0	0	0	114.4	G54 W88	G54-P56 WeakPolarHBondContact O-CD 3.21Å; P56-W88 HydrophobicContact CG-CH2 4.39Å
57	F	92.3	Very high	94.4	Very high	32 Å²	32	75.7 Å²	75.7	14%	0.14	44%	0.443	C	S	.	.	S	Bend	trans	-149	153.9	-178.4	46.3	-103.7	0	0	0	111.8	Q55 L59 W88 I103 P105	Q55-F57 WeakPolarHBondContact CG-O 3.46Å; Q55-F57 PolarHBondContact NE2-O 3.21Å; Q55-F57 PolarHBondContact O-N 3.33Å; F57-L59 HydrophobicContact CD2-CD2 4.07Å; F57-L59 HydrophobicContact CD2-CG 4.15Å; F57-L59 HydrophobicContact CE2-CD1 4.46Å; F57-L59 HydrophobicContact CE2-CD2 3.75Å; F57-L59 HydrophobicContact CE2-CG 4.06Å; F57-W88 HydrophobicContact CE2-CZ3 4.26Å; F57-W88 HydrophobicContact CZ-CH2 4.3Å; F57-W88 AromaticContact CZ-CZ3 3.91Å; F57-W88 HydrophobicContact CZ-CZ3 3.91Å; F57-I103 HydrophobicContact CE1-CG2 4.32Å; F57-I103 WeakPolarHBondContact CE1-O 3.3Å; F57-I103 HydrophobicContact CZ-CG2 4.09Å; F57-P105 HydrophobicContact CB-CG 3.93Å; F57-P105 HydrophobicContact CD1-CG 4.17Å; F57-P105 HydrophobicContact CD2-CB 4.07Å; F57-P105 HydrophobicContact CD2-CG 3.58Å; F57-P105 HydrophobicContact CE2-CB 4.31Å; F57-P105 HydrophobicContact CE2-CG 4.09Å; F57-P105 HydrophobicContact CG-CG 3.62Å
58	P	93.9	Very high	94.6	Very high	113 Å²	113	71.5 Å²	71.5	73%	0.734	42%	0.416	S	S	*	.			trans	-67	146.3	174.7	29.4	-35	0	0	0	111
59	L	95.3	Very high	94.7	Very high	19 Å²	19	69.6 Å²	69.6	10%	0.099	41%	0.407	C	S	.	.			trans	-122.2	149.3	175	-75.5	171.9	0	0	0	109.9	F57 P84 Q85 W88 M108	F57-L59 HydrophobicContact CD2-CD2 4.07Å; F57-L59 HydrophobicContact CD2-CG 4.15Å; F57-L59 HydrophobicContact CE2-CD1 4.46Å; F57-L59 HydrophobicContact CE2-CD2 3.75Å; F57-L59 HydrophobicContact CE2-CG 4.06Å; L59-P84 HydrophobicContact CB-CB 4.22Å; L59-P84 HydrophobicContact CD2-CB 4.16Å; L59-Q85 HydrophobicContact CB-CB 4.19Å; L59-W88 HydrophobicContact CD1-CB 3.51Å; L59-W88 HydrophobicContact CD1-CD2 3.88Å; L59-W88 HydrophobicContact CD1-CE3 3.8Å; L59-W88 HydrophobicContact CD1-CG 3.77Å; L59-M108 HydrophobicContact CD1-CG 4.32Å; L59-M108 HydrophobicContact CD2-CB 3.91Å; L59-M108 HydrophobicContact CD2-CG 3.8Å
60	S	95.7	Very high	94.6	Very high	51 Å²	51	68.6 Å²	68.6	36%	0.357	40%	0.402	S	S	.	.			trans	-63.4	142.1	175.7	-176.9	0	0	0	0	111	E62 P84 Q85	S60-E62 VanDerWaalsContact OG-CB 3.29Å; S60-E62 WeakPolarHBondContact OG-CB 3.49Å; S60-E62 PolarHBondContact OG-N 3.45Å; S60-E62 VanDerWaalsContact OG-N 3.09Å; S60-P84 WeakPolarHBondContact O-CD 3.3Å; S60-Q85 PolarHBondContact O-N 3.39Å
61	T	96.4	Very high	94.3	Very high	76 Å²	76	64.1 Å²	64.1	47%	0.466	38%	0.383	S	S	.	.			trans	-100.2	-1.6	172	55.1	0	0	0	0	112.3	Q49 S83 Q85	Q49-T61 HydrophobicContact CB-CG2 4.15Å; Q49-T61 PolarHBondContact NE2-O 2.96Å; Q49-T61 PolarHBondContact OE1-O 3.28Å; Q49-T61 VanDerWaalsContact OE1-O 3.08Å; T61-S83 VanDerWaalsContact C-CB 3.45Å; T61-S83 WeakPolarHBondContact O-CB 3.26Å; T61-Q85 HydrophobicContact CG2-CB 4.19Å
62	E	96	Very high	93.7	Very high	155 Å²	155	64.7 Å²	64.7	72%	0.724	38%	0.381	S	S	*	.			trans	-67.9	141	178.6	-159	173.1	-160	0	0	110.5	S60 S83	S60-E62 VanDerWaalsContact OG-CB 3.29Å; S60-E62 WeakPolarHBondContact OG-CB 3.49Å; S60-E62 PolarHBondContact OG-N 3.45Å; S60-E62 VanDerWaalsContact OG-N 3.09Å; E62-S83 WeakPolarHBondContact O-CA 3.24Å; E62-S83 WeakPolarHBondContact O-CB 3.36Å
63	R	95.7	Very high	93.2	Very high	95 Å²	95	64.2 Å²	64.2	36%	0.358	38%	0.378	S	S	.	.			trans	-121.4	142.8	-175.6	-64.6	-178.4	67.3	-172.4	0.4	109.8	I80 Y81	R63-I80 HydrophobicContact CB-CG2 3.6Å; R63-I80 HydrophobicContact CG-CG2 4.46Å; R63-I80 PolarHBondContact NH2-O 3.07Å; R63-Y81 PolarHBondContact NE-O 3.29Å
64	E	96.4	Very high	92.4	Very high	102 Å²	102	63.2 Å²	63.2	48%	0.477	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-98.5	136.7	-179.5	-169.4	178.9	-178.7	0	0	110.9	I80 Y81 N116	E64-I80 WeakPolarHBondContact O-CG2 3.4Å; E64-Y81 HydrophobicContact CB-CD2 4.45Å; E64-Y81 PolarHBondContact O-N 3.31Å; E64-N116 PolarHBondContact OE2-ND2 2.96Å
65	L	96.8	Very high	92.1	Very high	108 Å²	108	65.7 Å²	65.7	57%	0.565	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.6	173.8	-171.4	70.4	0	0	0	109.3	K78 I80	L65-K78 HydrophobicContact CD1-CB 3.88Å; L65-K78 HydrophobicContact CG-CB 4.17Å; L65-I80 HydrophobicContact CD1-CG1 3.8Å
66	S	96.9	Very high	91.9	Very high	5 Å²	5	66.5 Å²	66.5	4%	0.035	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	170	175.7	73.3	0	0	0	0	112	I68 K78 W79 Y81 E120	S66-I68 VanDerWaalsContact C-N 3.26Å; S66-I68 PolarHBondContact OG-N 3.27Å; S66-I68 VanDerWaalsContact OG-N 3.15Å; S66-I68 PolarHBondContact OG-O 3.42Å; S66-K78 WeakPolarHBondContact O-CD 3.49Å; S66-W79 WeakPolarHBondContact CB-O 3.34Å; S66-W79 PolarHBondContact N-O 3.48Å; S66-W79 WeakPolarHBondContact OG-CA 3.47Å; S66-W79 WeakPolarHBondContact OG-CB 3.46Å; S66-W79 PolarHBondContact OG-N 3.12Å; S66-W79 PolarHBondContact OG-O 3.27Å; S66-Y81 VanDerWaalsContact CB-CE2 3.42Å; S66-Y81 VanDerWaalsContact CB-CZ 3.47Å; S66-E120 WeakPolarHBondContact CA-OE1 3.42Å; S66-E120 VanDerWaalsContact CB-OE1 3.28Å; S66-E120 WeakPolarHBondContact CB-OE1 3.5Å
67	S	96	Very high	92	Very high	56 Å²	56	68 Å²	68	39%	0.392	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-7.6	166.8	84.5	0	0	0	0	113.5	P69 E120	S67-P69 WeakPolarHBondContact O-CD 3.37Å; S67-E120 VanDerWaalsContact CB-OE2 3.24Å; S67-E120 WeakPolarHBondContact CB-OE2 3.39Å; S67-E120 PolarHBondContact N-OE1 3.21Å; S67-E120 PolarHBondContact OG-OE2 3.39Å
68	I	95.6	Very high	92.1	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.01	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.1	-164.3	-49.6	177.1	0	0	0	110	S66 K78 W79 W123 L142 F145	S66-I68 VanDerWaalsContact C-N 3.26Å; S66-I68 PolarHBondContact OG-N 3.27Å; S66-I68 VanDerWaalsContact OG-N 3.15Å; S66-I68 PolarHBondContact OG-O 3.42Å; I68-K78 CarbonylContact O-C 3.49Å; I68-K78 WeakPolarHBondContact O-CA 3.42Å; I68-K78 VanDerWaalsContact O-CB 3.29Å; I68-K78 WeakPolarHBondContact O-CB 3.44Å; I68-W79 VanDerWaalsContact O-CD1 3.28Å; I68-W79 PolarHBondContact O-N 3.24Å; I68-W123 HydrophobicContact CB-CD2 4.45Å; I68-W123 HydrophobicContact CB-CG 4.4Å; I68-W123 HydrophobicContact CD1-CB 3.84Å; I68-W123 HydrophobicContact CD1-CG 4.07Å; I68-W123 HydrophobicContact CG1-CB 3.91Å; I68-W123 HydrophobicContact CG1-CD2 4.16Å; I68-W123 HydrophobicContact CG1-CG 3.65Å; I68-W123 HydrophobicContact CG2-CD2 3.79Å; I68-W123 HydrophobicContact CG2-CE3 4.01Å; I68-W123 HydrophobicContact CG2-CG 4.22Å; I68-W123 HydrophobicContact CG2-CH2 4.45Å; I68-W123 HydrophobicContact CG2-CZ2 4.23Å; I68-W123 HydrophobicContact CG2-CZ3 4.33Å; I68-L142 HydrophobicContact CG2-CB 3.74Å; I68-L142 HydrophobicContact CG2-CD2 3.9Å; I68-F145 HydrophobicContact CD1-CZ 3.72Å
69	P	94.9	Very high	92.2	Very high	30 Å²	30	66 Å²	66	20%	0.195	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	140.3	179.6	28.2	-30.6	0	0	0	112.1	S67 W123 K141 L142	S67-P69 WeakPolarHBondContact O-CD 3.37Å; P69-W123 HydrophobicContact CG-CZ2 4.23Å; P69-K141 HydrophobicContact CB-CB 4.47Å; P69-K141 HydrophobicContact CB-CG 4.09Å; P69-K141 HydrophobicContact CG-CB 4.31Å; P69-K141 HydrophobicContact CG-CG 4.05Å; P69-L142 PolarHBondContact O-N 3.03Å
70	K	93.3	Very high	92.1	Very high	40 Å²	40	69 Å²	69	17%	0.174	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-77.8	133.2	171.9	-75.3	-175.9	143.5	-146.6	0	110.6	E41 E77 W79	E41-K70 IonicContact OE1-NZ 3.48Å; E41-K70 PolarHBondContact OE1-NZ 2.91Å; E41-K70 IonicContact OE2-NZ 2.68Å; E41-K70 PolarHBondContact OE2-NZ 3.39Å; K70-E77 WeakPolarHBondContact CB-O 3.45Å; K70-E77 PolarHBondContact N-O 3.02Å; K70-W79 HydrophobicContact CD-CD2 4.38Å; K70-W79 HydrophobicContact CG-CD2 3.76Å; K70-W79 HydrophobicContact CG-CE3 4.44Å; K70-W79 HydrophobicContact CG-CG 3.9Å; K70-W79 HydrophobicContact CG-CZ2 4.27Å
71	A	90.4	Very high	92.1	Very high	29 Å²	29	67.1 Å²	67.1	24%	0.24	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-45.4	-179.7	0	0	0	0	0	112.9	S73 K141 L142 R143	A71-S73 VanDerWaalsContact C-N 3.32Å; A71-S73 PolarHBondContact O-N 3.13Å; A71-K141 HydrophobicContact CB-CB 3.99Å; A71-L142 PolarHBondContact N-O 3.19Å; A71-R143 HydrophobicContact CB-CB 3.87Å; A71-R143 HydrophobicContact CB-CG 4.23Å
72	D	84	Confident	92	Very high	106 Å²	106	65.1 Å²	65.1	57%	0.567	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	6.7	-169.7	-57.7	-41.2	0	0	0	113.4	R143	D72-R143 IonicContact OD1-CZ 3.11Å; D72-R143 IonicContact OD1-NH1 3.89Å; D72-R143 PolarHBondContact OD1-NH1 3.26Å; D72-R143 VanDerWaalsContact OD1-NH1 3.11Å; D72-R143 IonicContact OD2-NH1 3.97Å
73	S	82.9	Confident	92	Very high	13 Å²	13	57.8 Å²	57.8	9%	0.091	32%	0.318	C	S	.	.			trans	-93.2	121.4	176.5	-173.9	0	0	0	0	111.4	A71 N75 E77	A71-S73 VanDerWaalsContact C-N 3.32Å; A71-S73 PolarHBondContact O-N 3.13Å; S73-N75 PolarHBondContact O-N 2.83Å; S73-E77 WeakPolarHBondContact CB-OE2 3.45Å; S73-E77 VanDerWaalsContact OG-CB 3.23Å; S73-E77 WeakPolarHBondContact OG-CB 3.22Å; S73-E77 WeakPolarHBondContact OG-CG 3.31Å; S73-E77 PolarHBondContact OG-OE2 3.13Å
74	S	75.1	Confident	92	Very high	113 Å²	113	53.8 Å²	53.8	79%	0.79	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.6	177.9	58.8	0	0	0	0	113.1
75	N	84.2	Confident	92	Very high	131 Å²	131	49 Å²	49	70%	0.701	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	10.7	-169.2	-60	-10.7	0	0	0	112.9	S73 E77	S73-N75 PolarHBondContact O-N 2.83Å; N75-E77 VanDerWaalsContact C-N 3.3Å; N75-E77 HydrophobicContact CB-CG 4.48Å; N75-E77 PolarHBondContact O-N 3.42Å
76	G	86.4	Confident	92	Very high	45 Å²	45	44.8 Å²	44.8	46%	0.464	26%	0.26	S	S	.	.			trans	69	28.4	-177.5	0	0	0	0	0	113.3
77	E	93.6	Very high	91.8	Very high	106 Å²	106	46.3 Å²	46.3	50%	0.495	27%	0.266	S	S	.	.			trans	-61	150.8	177.3	-65.4	170.6	158	0	0	111.4	K70 S73 N75	K70-E77 WeakPolarHBondContact CB-O 3.45Å; K70-E77 PolarHBondContact N-O 3.02Å; S73-E77 WeakPolarHBondContact CB-OE2 3.45Å; S73-E77 VanDerWaalsContact OG-CB 3.23Å; S73-E77 WeakPolarHBondContact OG-CB 3.22Å; S73-E77 WeakPolarHBondContact OG-CG 3.31Å; S73-E77 PolarHBondContact OG-OE2 3.13Å; N75-E77 VanDerWaalsContact C-N 3.3Å; N75-E77 HydrophobicContact CB-CG 4.48Å; N75-E77 PolarHBondContact O-N 3.42Å
78	K	94.9	Very high	91.7	Very high	90 Å²	90	44.1 Å²	44.1	39%	0.391	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	160	177.6	-60.1	-175.3	-176.6	-179.8	0	110.7	L65 S66 I68	L65-K78 HydrophobicContact CD1-CB 3.88Å; L65-K78 HydrophobicContact CG-CB 4.17Å; S66-K78 WeakPolarHBondContact O-CD 3.49Å; I68-K78 CarbonylContact O-C 3.49Å; I68-K78 WeakPolarHBondContact O-CA 3.42Å; I68-K78 VanDerWaalsContact O-CB 3.29Å; I68-K78 WeakPolarHBondContact O-CB 3.44Å
79	W	94.6	Very high	91.7	Very high	14 Å²	14	44.2 Å²	44.2	5%	0.053	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	147.6	173.1	-65.9	94.5	0	0	0	110.7	E41 N42 S66 I68 K70 L142 F145	E41-W79 HydrophobicContact CB-CH2 3.79Å; E41-W79 HydrophobicContact CB-CZ3 4.17Å; N42-W79 HydrophobicContact CB-CZ3 4.38Å; S66-W79 WeakPolarHBondContact CB-O 3.34Å; S66-W79 PolarHBondContact N-O 3.48Å; S66-W79 WeakPolarHBondContact OG-CA 3.47Å; S66-W79 WeakPolarHBondContact OG-CB 3.46Å; S66-W79 PolarHBondContact OG-N 3.12Å; S66-W79 PolarHBondContact OG-O 3.27Å; I68-W79 VanDerWaalsContact O-CD1 3.28Å; I68-W79 PolarHBondContact O-N 3.24Å; K70-W79 HydrophobicContact CD-CD2 4.38Å; K70-W79 HydrophobicContact CG-CD2 3.76Å; K70-W79 HydrophobicContact CG-CE3 4.44Å; K70-W79 HydrophobicContact CG-CG 3.9Å; K70-W79 HydrophobicContact CG-CZ2 4.27Å; W79-L142 PolarHBondContact NE1-O 3.46Å; W79-F145 HydrophobicContact CB-CE2 3.88Å; W79-F145 AromaticContact CD1-CE2 3.71Å; W79-F145 AromaticContact CD2-CD2 3.47Å; W79-F145 HydrophobicContact CD2-CD2 3.47Å; W79-F145 VanDerWaalsContact CD2-CD2 3.47Å; W79-F145 AromaticContact CD2-CE2 3.52Å; W79-F145 HydrophobicContact CD2-CE2 3.52Å; W79-F145 AromaticContact CE2-CD2 3.62Å; W79-F145 AromaticContact CE2-CE2 3.78Å; W79-F145 AromaticContact CE3-CD2 3.63Å; W79-F145 HydrophobicContact CE3-CD2 3.63Å; W79-F145 HydrophobicContact CE3-CE2 4.06Å; W79-F145 AromaticContact CG-CD2 3.96Å; W79-F145 HydrophobicContact CG-CD2 3.96Å; W79-F145 AromaticContact CG-CE2 3.45Å; W79-F145 HydrophobicContact CG-CE2 3.45Å; W79-F145 VanDerWaalsContact CG-CE2 3.45Å; W79-F145 AromaticContact CH2-CD2 3.92Å; W79-F145 HydrophobicContact CH2-CD2 3.92Å; W79-F145 AromaticContact CZ2-CD2 3.86Å; W79-F145 HydrophobicContact CZ2-CD2 3.86Å; W79-F145 HydrophobicContact CZ2-CE2 4.45Å; W79-F145 AromaticContact CZ3-CD2 3.86Å; W79-F145 HydrophobicContact CZ3-CD2 3.86Å; W79-F145 AromaticContact NE1-CE2 3.93Å
80	I	94.8	Very high	91.6	Very high	81 Å²	81	44.1 Å²	44.1	42%	0.415	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.1	179.6	-56.2	175.2	0	0	0	107.7	R63 E64 L65	R63-I80 HydrophobicContact CB-CG2 3.6Å; R63-I80 HydrophobicContact CG-CG2 4.46Å; R63-I80 PolarHBondContact NH2-O 3.07Å; E64-I80 WeakPolarHBondContact O-CG2 3.4Å; L65-I80 HydrophobicContact CD1-CG1 3.8Å
81	Y	95.7	Very high	91.5	Very high	12 Å²	12	44 Å²	44	5%	0.047	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-66.3	153.3	178.4	-66.8	-54.2	0	0	0	111.7	R63 E64 S66 N116 N119 E120	R63-Y81 PolarHBondContact NE-O 3.29Å; E64-Y81 HydrophobicContact CB-CD2 4.45Å; E64-Y81 PolarHBondContact O-N 3.31Å; S66-Y81 VanDerWaalsContact CB-CE2 3.42Å; S66-Y81 VanDerWaalsContact CB-CZ 3.47Å; Y81-N116 HydrophobicContact CD2-CB 3.94Å; Y81-N116 VanDerWaalsContact CD2-CG 3.49Å; Y81-N116 HydrophobicContact CE2-CB 3.98Å; Y81-N116 HydrophobicContact CG-CB 4.41Å; Y81-N119 HydrophobicContact CE1-CB 3.95Å; Y81-E120 WeakPolarHBondContact CE2-OE1 3.42Å; Y81-E120 VanDerWaalsContact OH-CD 3.3Å; Y81-E120 PolarHBondContact OH-OE1 3.16Å
82	P	94.1	Very high	91.6	Very high	35 Å²	35	44.5 Å²	44.5	23%	0.227	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-65.9	146.9	174	28.4	-34	0	0	0	110.6	M86	P82-M86 HydrophobicContact CB-CB 3.86Å; P82-M86 HydrophobicContact CB-CE 4.23Å; P82-M86 HydrophobicContact CB-SD 4.49Å
83	S	95.8	Very high	91.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-70.9	165.2	171.2	64.2	0	0	0	0	111.3	Q49 T61 E62 Q85 M86 F87	Q49-S83 PolarHBondContact OE1-OG 3.43Å; T61-S83 VanDerWaalsContact C-CB 3.45Å; T61-S83 WeakPolarHBondContact O-CB 3.26Å; E62-S83 WeakPolarHBondContact O-CA 3.24Å; E62-S83 WeakPolarHBondContact O-CB 3.36Å; S83-Q85 VanDerWaalsContact C-N 3.27Å; S83-Q85 PolarHBondContact O-N 3.49Å; S83-M86 WeakPolarHBondContact O-CB 3.48Å; S83-M86 PolarHBondContact O-N 3.12Å; S83-M86 VanDerWaalsContact OG-CG 3.32Å; S83-M86 WeakPolarHBondContact OG-CG 3.37Å; S83-M86 PolarHBondContact OG-N 3.46Å; S83-M86 VanDerWaalsContact OG-N 3.17Å; S83-F87 PolarHBondContact O-N 3.08Å
84	P	95.8	Very high	92.1	Very high	11 Å²	11	49.8 Å²	49.8	7%	0.071	27%	0.265	C	S	.	.	H	α-helix	trans	-50.4	-43.8	169.4	-28.3	35.4	0	0	0	115.2	L59 S60 M86 F87 W88 M108 N109 I112	L59-P84 HydrophobicContact CB-CB 4.22Å; L59-P84 HydrophobicContact CD2-CB 4.16Å; S60-P84 WeakPolarHBondContact O-CD 3.3Å; P84-M86 PolarHBondContact O-N 2.98Å; P84-F87 PolarHBondContact O-N 3.38Å; P84-W88 WeakPolarHBondContact O-CB 3.48Å; P84-W88 PolarHBondContact O-N 3.29Å; P84-M108 HydrophobicContact CB-CG 4.24Å; P84-N109 WeakPolarHBondContact CG-OD1 3.38Å; P84-I112 HydrophobicContact CB-CD1 3.63Å; P84-I112 HydrophobicContact CG-CD1 3.68Å
85	Q	96.4	Very high	92.8	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-40.8	176.2	-170.9	57	70.4	0	0	112.7	Q49 L50 L59 S60 T61 S83 W88 N89	Q49-Q85 VanDerWaalsContact O-CG 3.27Å; Q49-Q85 WeakPolarHBondContact O-CG 3.38Å; L50-Q85 PolarHBondContact O-NE2 3.04Å; L59-Q85 HydrophobicContact CB-CB 4.19Å; S60-Q85 PolarHBondContact O-N 3.39Å; T61-Q85 HydrophobicContact CG2-CB 4.19Å; S83-Q85 VanDerWaalsContact C-N 3.27Å; S83-Q85 PolarHBondContact O-N 3.49Å; Q85-W88 PolarHBondContact O-N 2.94Å; Q85-N89 PolarHBondContact NE2-OD1 3.45Å; Q85-N89 VanDerWaalsContact NE2-OD1 3.16Å; Q85-N89 WeakPolarHBondContact O-CB 3.49Å; Q85-N89 PolarHBondContact O-N 3.21Å; Q85-N89 PolarHBondContact O-ND2 3.17Å
86	M	95.7	Very high	93	Very high	19 Å²	19	43 Å²	43	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-40.9	176.5	-73.6	178.6	64.7	0	0	112.1	P47 Q49 P82 S83 P84 N89 A90	P47-M86 HydrophobicContact CB-CE 3.62Å; P47-M86 HydrophobicContact CB-SD 4.05Å; Q49-M86 HydrophobicContact CG-CG 3.98Å; Q49-M86 HydrophobicContact CG-SD 4.26Å; P82-M86 HydrophobicContact CB-CB 3.86Å; P82-M86 HydrophobicContact CB-CE 4.23Å; P82-M86 HydrophobicContact CB-SD 4.49Å; S83-M86 WeakPolarHBondContact O-CB 3.48Å; S83-M86 PolarHBondContact O-N 3.12Å; S83-M86 VanDerWaalsContact OG-CG 3.32Å; S83-M86 WeakPolarHBondContact OG-CG 3.37Å; S83-M86 PolarHBondContact OG-N 3.46Å; S83-M86 VanDerWaalsContact OG-N 3.17Å; P84-M86 PolarHBondContact O-N 2.98Å; M86-N89 PolarHBondContact O-N 2.96Å; M86-A90 WeakPolarHBondContact O-CB 3.48Å; M86-A90 PolarHBondContact O-N 3.37Å
87	F	94.3	Very high	93.1	Very high	37 Å²	37	48.8 Å²	48.8	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-46.1	177.5	-176.1	-87.3	0	0	0	111.1	S83 P84 N89 A90 M91 M108 I111 I112	S83-F87 PolarHBondContact O-N 3.08Å; P84-F87 PolarHBondContact O-N 3.38Å; F87-N89 PolarHBondContact O-N 3.38Å; F87-A90 WeakPolarHBondContact O-CB 3.27Å; F87-A90 PolarHBondContact O-N 2.93Å; F87-A90 VanDerWaalsContact O-N 3.08Å; F87-M91 HydrophobicContact CD1-CG 3.88Å; F87-M91 HydrophobicContact CE1-CG 3.48Å; F87-M91 VanDerWaalsContact CE1-CG 3.48Å; F87-M91 HydrophobicContact CE1-SD 4.12Å; F87-M91 HydrophobicContact CZ-CG 3.96Å; F87-M91 HydrophobicContact CZ-SD 4.01Å; F87-M91 WeakPolarHBondContact O-CG 3.46Å; F87-M91 PolarHBondContact O-N 3.4Å; F87-M108 HydrophobicContact CD1-CE 4.36Å; F87-M108 HydrophobicContact CD1-SD 3.46Å; F87-M108 WeakPolarHBondContact CD1-SD 3.12Å; F87-M108 HydrophobicContact CE1-SD 3.88Å; F87-M108 HydrophobicContact CG-SD 4.48Å; F87-I111 HydrophobicContact CE1-CG2 4.02Å; F87-I111 HydrophobicContact CZ-CG2 3.9Å; F87-I112 HydrophobicContact CB-CD1 3.87Å; F87-I112 HydrophobicContact CB-CG1 4.12Å; F87-I112 HydrophobicContact CD1-CD1 4.43Å; F87-I112 HydrophobicContact CD1-CG1 4.26Å; F87-I112 HydrophobicContact CD2-CG1 4.26Å; F87-I112 HydrophobicContact CG-CD1 4.17Å; F87-I112 HydrophobicContact CG-CG1 3.96Å
88	W	94	Very high	92.5	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.038	22%	0.216	C	C	.	.	H	α-helix	trans	-53.9	-52	174.1	-179.5	-85.9	0	0	0	111.7	Q55 P56 F57 L59 P84 Q85 A90 M91 L92 W98 I103 M108	Q55-W88 HydrophobicContact CG-CZ2 4.19Å; P56-W88 HydrophobicContact CG-CH2 4.39Å; F57-W88 HydrophobicContact CE2-CZ3 4.26Å; F57-W88 HydrophobicContact CZ-CH2 4.3Å; F57-W88 AromaticContact CZ-CZ3 3.91Å; F57-W88 HydrophobicContact CZ-CZ3 3.91Å; L59-W88 HydrophobicContact CD1-CB 3.51Å; L59-W88 HydrophobicContact CD1-CD2 3.88Å; L59-W88 HydrophobicContact CD1-CE3 3.8Å; L59-W88 HydrophobicContact CD1-CG 3.77Å; P84-W88 WeakPolarHBondContact O-CB 3.48Å; P84-W88 PolarHBondContact O-N 3.29Å; Q85-W88 PolarHBondContact O-N 2.94Å; W88-A90 PolarHBondContact O-N 3.08Å; W88-M91 PolarHBondContact O-N 3.38Å; W88-M91 VanDerWaalsContact O-N 3.13Å; W88-L92 PolarHBondContact O-N 3.38Å; W88-W98 AromaticContact CD2-NE1 3.99Å; W88-W98 AromaticContact CE3-NE1 3.65Å; W88-W98 HydrophobicContact CH2-CB 4.17Å; W88-W98 AromaticContact CH2-CD1 3.16Å; W88-W98 AromaticContact CH2-CG 3.72Å; W88-W98 HydrophobicContact CH2-CG 3.72Å; W88-W98 AromaticContact CH2-NE1 3.69Å; W88-W98 AromaticContact CZ2-CD1 3.5Å; W88-W98 VanDerWaalsContact CZ2-CD1 3.5Å; W88-W98 HydrophobicContact CZ2-CG 4.4Å; W88-W98 AromaticContact CZ3-CD1 3.45Å; W88-W98 VanDerWaalsContact CZ3-CD1 3.45Å; W88-W98 HydrophobicContact CZ3-CD2 4.33Å; W88-W98 AromaticContact CZ3-CG 3.97Å; W88-W98 HydrophobicContact CZ3-CG 3.97Å; W88-W98 AromaticContact CZ3-NE1 3.48Å; W88-I103 HydrophobicContact CH2-CG2 4.24Å; W88-I103 HydrophobicContact CZ3-CG2 4.03Å; W88-M108 HydrophobicContact CE3-CE 3.53Å; W88-M108 HydrophobicContact CZ3-CE 3.99Å
89	N	94.5	Very high	91.7	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-35.7	178.4	-69.2	-14.1	0	0	0	111.7	N48 L50 S52 Q85 M86 F87 R93	N48-N89 PolarHBondContact O-ND2 3.42Å; L50-N89 PolarHBondContact O-ND2 2.91Å; S52-N89 PolarHBondContact OG-OD1 3.3Å; Q85-N89 PolarHBondContact NE2-OD1 3.45Å; Q85-N89 VanDerWaalsContact NE2-OD1 3.16Å; Q85-N89 WeakPolarHBondContact O-CB 3.49Å; Q85-N89 PolarHBondContact O-N 3.21Å; Q85-N89 PolarHBondContact O-ND2 3.17Å; M86-N89 PolarHBondContact O-N 2.96Å; F87-N89 PolarHBondContact O-N 3.38Å; N89-R93 WeakPolarHBondContact O-CG 3.49Å; N89-R93 PolarHBondContact O-N 2.96Å; N89-R93 PolarHBondContact O-NH1 3.44Å
90	A	92.6	Very high	90.5	Very high	28 Å²	28	56.1 Å²	56.1	23%	0.231	26%	0.262	C	S	.	.	H	α-helix	trans	-69.1	-40.3	175.9	0	0	0	0	0	113	M86 F87 W88 R93 K94	M86-A90 WeakPolarHBondContact O-CB 3.48Å; M86-A90 PolarHBondContact O-N 3.37Å; F87-A90 WeakPolarHBondContact O-CB 3.27Å; F87-A90 PolarHBondContact O-N 2.93Å; F87-A90 VanDerWaalsContact O-N 3.08Å; W88-A90 PolarHBondContact O-N 3.08Å; A90-R93 PolarHBondContact O-N 3.24Å; A90-K94 PolarHBondContact O-N 2.98Å; A90-K94 VanDerWaalsContact O-N 3.12Å
91	M	92	Very high	89.5	Confident	38 Å²	38	59.8 Å²	59.8	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-42.9	175.7	-71.2	-62.7	-71	0	0	111.3	F87 W88 R93 K94 G95 W96 W98	F87-M91 HydrophobicContact CD1-CG 3.88Å; F87-M91 HydrophobicContact CE1-CG 3.48Å; F87-M91 VanDerWaalsContact CE1-CG 3.48Å; F87-M91 HydrophobicContact CE1-SD 4.12Å; F87-M91 HydrophobicContact CZ-CG 3.96Å; F87-M91 HydrophobicContact CZ-SD 4.01Å; F87-M91 WeakPolarHBondContact O-CG 3.46Å; F87-M91 PolarHBondContact O-N 3.4Å; W88-M91 PolarHBondContact O-N 3.38Å; W88-M91 VanDerWaalsContact O-N 3.13Å; M91-R93 VanDerWaalsContact C-N 3.31Å; M91-R93 PolarHBondContact O-N 2.89Å; M91-K94 PolarHBondContact O-N 3.13Å; M91-K94 VanDerWaalsContact O-N 3.08Å; M91-G95 PolarHBondContact O-N 3.38Å; M91-W96 HydrophobicContact CB-CB 4.14Å; M91-W96 HydrophobicContact CE-CB 4Å; M91-W96 HydrophobicContact CE-CD2 3.88Å; M91-W96 HydrophobicContact CE-CE3 4.31Å; M91-W96 HydrophobicContact CE-CG 3.72Å; M91-W96 WeakPolarHBondContact O-CB 3.44Å; M91-W96 PolarHBondContact O-N 2.96Å; M91-W98 HydrophobicContact CB-CZ2 4.3Å; M91-W98 HydrophobicContact CE-CH2 4.33Å; M91-W98 HydrophobicContact CE-CZ2 4.19Å; M91-W98 HydrophobicContact CG-CZ2 4.28Å
92	L	92.7	Very high	88.6	Confident	38 Å²	38	62.9 Å²	62.9	20%	0.199	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-39.4	175.4	-67.4	-174.5	0	0	0	112.6	S52 W88 K94 G95 W96 R97	S52-L92 VanDerWaalsContact CB-CD1 3.5Å; S52-L92 WeakPolarHBondContact OG-CD1 3.42Å; W88-L92 PolarHBondContact O-N 3.38Å; L92-K94 VanDerWaalsContact C-N 3.3Å; L92-K94 PolarHBondContact O-N 3.47Å; L92-G95 PolarHBondContact O-N 2.85Å; L92-W96 VanDerWaalsContact CD2-O 3.31Å; L92-W96 WeakPolarHBondContact CD2-O 3.43Å; L92-R97 PolarHBondContact O-NH1 3.49Å
93	R	89.6	Confident	88.2	Confident	79 Å²	79	61.7 Å²	61.7	30%	0.298	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-33.9	174.3	-73.5	-166.8	-52.6	-83.9	6	112.7	N89 A90 M91 G95	N89-R93 WeakPolarHBondContact O-CG 3.49Å; N89-R93 PolarHBondContact O-N 2.96Å; N89-R93 PolarHBondContact O-NH1 3.44Å; A90-R93 PolarHBondContact O-N 3.24Å; M91-R93 VanDerWaalsContact C-N 3.31Å; M91-R93 PolarHBondContact O-N 2.89Å; R93-G95 PolarHBondContact O-N 3.32Å
94	K	86.8	Confident	87.8	Confident	152 Å²	152	68.1 Å²	68.1	66%	0.661	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	2.1	173.8	-69.8	-176.7	177.4	-178.6	0	113.4	A90 M91 L92 W96	A90-K94 PolarHBondContact O-N 2.98Å; A90-K94 VanDerWaalsContact O-N 3.12Å; M91-K94 PolarHBondContact O-N 3.13Å; M91-K94 VanDerWaalsContact O-N 3.08Å; L92-K94 VanDerWaalsContact C-N 3.3Å; L92-K94 PolarHBondContact O-N 3.47Å; K94-W96 VanDerWaalsContact C-N 3.35Å
95	G	90.1	Very high	87.4	Confident	35 Å²	35	69.3 Å²	69.3	36%	0.361	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	7.4	-178.8	0	0	0	0	0	113.8	M91 L92 R93	M91-G95 PolarHBondContact O-N 3.38Å; L92-G95 PolarHBondContact O-N 2.85Å; R93-G95 PolarHBondContact O-N 3.32Å
96	W	89.4	Confident	87.2	Confident	65 Å²	65	74.7 Å²	74.7	25%	0.246	35%	0.352	C	S	.	.			trans	-68.9	138.8	176.9	-164.4	-95.4	0	0	0	110.8	C21 M91 L92 K94 W98	C21-W96 HydrophobicContact CB-CZ3 4.21Å; M91-W96 HydrophobicContact CB-CB 4.14Å; M91-W96 HydrophobicContact CE-CB 4Å; M91-W96 HydrophobicContact CE-CD2 3.88Å; M91-W96 HydrophobicContact CE-CE3 4.31Å; M91-W96 HydrophobicContact CE-CG 3.72Å; M91-W96 WeakPolarHBondContact O-CB 3.44Å; M91-W96 PolarHBondContact O-N 2.96Å; L92-W96 VanDerWaalsContact CD2-O 3.31Å; L92-W96 WeakPolarHBondContact CD2-O 3.43Å; K94-W96 VanDerWaalsContact C-N 3.35Å; W96-W98 AromaticContact CD1-CD2 3.4Å; W96-W98 VanDerWaalsContact CD1-CD2 3.4Å; W96-W98 AromaticContact CD1-CE2 3.21Å; W96-W98 AromaticContact CD1-CE3 3.78Å; W96-W98 AromaticContact CD1-CG 3.94Å; W96-W98 AromaticContact CD1-CH2 3.8Å; W96-W98 AromaticContact CD1-CZ2 3.44Å; W96-W98 VanDerWaalsContact CD1-CZ2 3.44Å; W96-W98 AromaticContact CD1-CZ3 3.95Å; W96-W98 AromaticContact CD1-NE1 3.65Å; W96-W98 AromaticContact CE2-CZ3 3.92Å; W96-W98 HydrophobicContact CG-CZ2 4.42Å; W96-W98 HydrophobicContact CZ2-CZ3 4.28Å; W96-W98 AromaticContact NE1-CD2 3.23Å; W96-W98 AromaticContact NE1-CE2 3.42Å; W96-W98 AromaticContact NE1-CE3 3.07Å; W96-W98 AromaticContact NE1-CH2 3.32Å; W96-W98 VanDerWaalsContact NE1-CH2 3.32Å; W96-W98 AromaticContact NE1-CZ2 3.48Å; W96-W98 AromaticContact NE1-CZ3 3.1Å
97	R	87.7	Confident	87	Confident	167 Å²	167	76.9 Å²	76.9	63%	0.63	36%	0.364	S	S	*	.			trans	-133.2	115.4	176.4	-62.9	-64.4	177.8	-94.4	1.5	107.8	L92	L92-R97 PolarHBondContact O-NH1 3.49Å
98	W	81.7	Confident	86.9	Confident	52 Å²	52	75.1 Å²	75.1	20%	0.197	36%	0.356	C	S	.	.			trans	-77.1	139.4	175.2	-50.7	100.7	0	0	0	108.6	W88 M91 W96 I103 M108	W88-W98 AromaticContact CD2-NE1 3.99Å; W88-W98 AromaticContact CE3-NE1 3.65Å; W88-W98 HydrophobicContact CH2-CB 4.17Å; W88-W98 AromaticContact CH2-CD1 3.16Å; W88-W98 AromaticContact CH2-CG 3.72Å; W88-W98 HydrophobicContact CH2-CG 3.72Å; W88-W98 AromaticContact CH2-NE1 3.69Å; W88-W98 AromaticContact CZ2-CD1 3.5Å; W88-W98 VanDerWaalsContact CZ2-CD1 3.5Å; W88-W98 HydrophobicContact CZ2-CG 4.4Å; W88-W98 AromaticContact CZ3-CD1 3.45Å; W88-W98 VanDerWaalsContact CZ3-CD1 3.45Å; W88-W98 HydrophobicContact CZ3-CD2 4.33Å; W88-W98 AromaticContact CZ3-CG 3.97Å; W88-W98 HydrophobicContact CZ3-CG 3.97Å; W88-W98 AromaticContact CZ3-NE1 3.48Å; M91-W98 HydrophobicContact CB-CZ2 4.3Å; M91-W98 HydrophobicContact CE-CH2 4.33Å; M91-W98 HydrophobicContact CE-CZ2 4.19Å; M91-W98 HydrophobicContact CG-CZ2 4.28Å; W96-W98 AromaticContact CD1-CD2 3.4Å; W96-W98 VanDerWaalsContact CD1-CD2 3.4Å; W96-W98 AromaticContact CD1-CE2 3.21Å; W96-W98 AromaticContact CD1-CE3 3.78Å; W96-W98 AromaticContact CD1-CG 3.94Å; W96-W98 AromaticContact CD1-CH2 3.8Å; W96-W98 AromaticContact CD1-CZ2 3.44Å; W96-W98 VanDerWaalsContact CD1-CZ2 3.44Å; W96-W98 AromaticContact CD1-CZ3 3.95Å; W96-W98 AromaticContact CD1-NE1 3.65Å; W96-W98 AromaticContact CE2-CZ3 3.92Å; W96-W98 HydrophobicContact CG-CZ2 4.42Å; W96-W98 HydrophobicContact CZ2-CZ3 4.28Å; W96-W98 AromaticContact NE1-CD2 3.23Å; W96-W98 AromaticContact NE1-CE2 3.42Å; W96-W98 AromaticContact NE1-CE3 3.07Å; W96-W98 AromaticContact NE1-CH2 3.32Å; W96-W98 VanDerWaalsContact NE1-CH2 3.32Å; W96-W98 AromaticContact NE1-CZ2 3.48Å; W96-W98 AromaticContact NE1-CZ3 3.1Å; W98-I103 HydrophobicContact CB-CG2 3.88Å; W98-I103 HydrophobicContact CD2-CD1 4.03Å; W98-I103 HydrophobicContact CD2-CG2 4Å; W98-I103 HydrophobicContact CE3-CB 4.08Å; W98-I103 HydrophobicContact CE3-CD1 3.61Å; W98-I103 HydrophobicContact CE3-CG1 4.45Å; W98-I103 HydrophobicContact CE3-CG2 4Å; W98-I103 HydrophobicContact CG-CG2 3.98Å; W98-I103 HydrophobicContact CH2-CD1 3.68Å; W98-I103 HydrophobicContact CZ2-CD1 4.06Å; W98-I103 HydrophobicContact CZ3-CD1 3.44Å; W98-I103 VanDerWaalsContact CZ3-CD1 3.44Å; W98-M108 HydrophobicContact CH2-CE 4.28Å; W98-M108 HydrophobicContact CZ2-CE 3.76Å
99	R	77.4	Confident	86.9	Confident	174 Å²	174	78.2 Å²	78.2	66%	0.657	37%	0.374	S	S	*	.			trans	-82.7	152.4	163.3	-55.1	172.8	-73.7	-174.7	5.5	108.1	D101 D102	R99-D101 PolarHBondContact O-N 3.47Å; R99-D102 HydrophobicContact CB-CB 4.44Å; R99-D102 WeakPolarHBondContact CB-OD2 3.27Å; R99-D102 WeakPolarHBondContact CG-OD2 3.39Å; R99-D102 IonicContact CZ-OD1 3.48Å; R99-D102 IonicContact CZ-OD2 3.59Å; R99-D102 PolarHBondContact N-OD2 3.06Å; R99-D102 VanDerWaalsContact N-OD2 3.14Å; R99-D102 IonicContact NE-OD1 3.27Å; R99-D102 PolarHBondContact NE-OD1 3.35Å; R99-D102 IonicContact NE-OD2 2.79Å; R99-D102 PolarHBondContact NE-OD2 2.88Å; R99-D102 IonicContact NH2-OD1 2.92Å; R99-D102 PolarHBondContact NH2-OD1 3.48Å; R99-D102 IonicContact NH2-OD2 3.49Å; R99-D102 PolarHBondContact NH2-OD2 3.16Å; R99-D102 WeakPolarHBondContact O-CB 3.3Å; R99-D102 PolarHBondContact O-N 3.35Å
100	D	70	Confident	86.9	Confident	138 Å²	138	82.4 Å²	82.4	74%	0.738	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	-172.6	-63.7	-34.6	0	0	0	112.8
101	D	73.4	Confident	86.9	Confident	158 Å²	158	84.1 Å²	84.1	85%	0.845	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-10.5	-178.5	-39.2	-37.2	0	0	0	113.4	R99	R99-D101 PolarHBondContact O-N 3.47Å
102	D	77	Confident	87	Confident	77 Å²	77	82.9 Å²	82.9	41%	0.412	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-22.8	-167.5	-74.5	-27.6	0	0	0	113.2	R99	R99-D102 HydrophobicContact CB-CB 4.44Å; R99-D102 WeakPolarHBondContact CB-OD2 3.27Å; R99-D102 WeakPolarHBondContact CG-OD2 3.39Å; R99-D102 IonicContact CZ-OD1 3.48Å; R99-D102 IonicContact CZ-OD2 3.59Å; R99-D102 PolarHBondContact N-OD2 3.06Å; R99-D102 VanDerWaalsContact N-OD2 3.14Å; R99-D102 IonicContact NE-OD1 3.27Å; R99-D102 PolarHBondContact NE-OD1 3.35Å; R99-D102 IonicContact NE-OD2 2.79Å; R99-D102 PolarHBondContact NE-OD2 2.88Å; R99-D102 IonicContact NH2-OD1 2.92Å; R99-D102 PolarHBondContact NH2-OD1 3.48Å; R99-D102 IonicContact NH2-OD2 3.49Å; R99-D102 PolarHBondContact NH2-OD2 3.16Å; R99-D102 WeakPolarHBondContact O-CB 3.3Å; R99-D102 PolarHBondContact O-N 3.35Å
103	I	84.3	Confident	87.2	Confident	10 Å²	10	86.4 Å²	86.4	5%	0.051	41%	0.41	C	S	.	.			trans	-149.1	134.9	-167.9	-163.4	160.3	0	0	0	113.6	F57 W88 W98 D107 M108 I111	F57-I103 HydrophobicContact CE1-CG2 4.32Å; F57-I103 WeakPolarHBondContact CE1-O 3.3Å; F57-I103 HydrophobicContact CZ-CG2 4.09Å; W88-I103 HydrophobicContact CH2-CG2 4.24Å; W88-I103 HydrophobicContact CZ3-CG2 4.03Å; W98-I103 HydrophobicContact CB-CG2 3.88Å; W98-I103 HydrophobicContact CD2-CD1 4.03Å; W98-I103 HydrophobicContact CD2-CG2 4Å; W98-I103 HydrophobicContact CE3-CB 4.08Å; W98-I103 HydrophobicContact CE3-CD1 3.61Å; W98-I103 HydrophobicContact CE3-CG1 4.45Å; W98-I103 HydrophobicContact CE3-CG2 4Å; W98-I103 HydrophobicContact CG-CG2 3.98Å; W98-I103 HydrophobicContact CH2-CD1 3.68Å; W98-I103 HydrophobicContact CZ2-CD1 4.06Å; W98-I103 HydrophobicContact CZ3-CD1 3.44Å; W98-I103 VanDerWaalsContact CZ3-CD1 3.44Å; I103-D107 HydrophobicContact CG1-CB 3.9Å; I103-M108 HydrophobicContact CD1-CE 3.45Å; I103-M108 VanDerWaalsContact CD1-CE 3.45Å; I103-I111 HydrophobicContact CD1-CD1 4.18Å
104	K	89	Confident	87.5	Confident	135 Å²	135	88 Å²	88	59%	0.587	42%	0.424	S	S	*	.			trans	-107.3	162.8	172.7	-61.2	-179.8	-178.5	179.3	0	111.4	E106 D107 M108	K104-E106 WeakPolarHBondContact CB-OE2 3.29Å; K104-E106 PolarHBondContact O-N 2.91Å; K104-D107 WeakPolarHBondContact CB-OD2 3.48Å; K104-D107 PolarHBondContact N-OD2 3.42Å; K104-D107 WeakPolarHBondContact O-CB 3.48Å; K104-D107 PolarHBondContact O-N 3.29Å; K104-D107 VanDerWaalsContact O-N 3.12Å; K104-M108 PolarHBondContact O-N 3.3Å
105	P	87.7	Confident	87.9	Confident	37 Å²	37	84.7 Å²	84.7	24%	0.24	41%	0.41	C	S	.	.	H	α-helix	trans	-52.6	-39.8	173.7	-22.7	29.2	0	0	0	113.1	F57 D107 M108 N109	F57-P105 HydrophobicContact CB-CG 3.93Å; F57-P105 HydrophobicContact CD1-CG 4.17Å; F57-P105 HydrophobicContact CD2-CB 4.07Å; F57-P105 HydrophobicContact CD2-CG 3.58Å; F57-P105 HydrophobicContact CE2-CB 4.31Å; F57-P105 HydrophobicContact CE2-CG 4.09Å; F57-P105 HydrophobicContact CG-CG 3.62Å; P105-D107 VanDerWaalsContact C-N 3.35Å; P105-D107 PolarHBondContact O-N 3.21Å; P105-M108 WeakPolarHBondContact O-CB 3.49Å; P105-M108 PolarHBondContact O-N 3.44Å; P105-N109 PolarHBondContact O-N 2.93Å
106	E	91.4	Very high	88.1	Confident	114 Å²	114	83.4 Å²	83.4	53%	0.533	40%	0.395	S	S	.	.	H	α-helix	trans	-66.1	-37.3	-179.6	-60.6	74.3	-156.7	0	0	112	K104 M108 N109 N110	K104-E106 WeakPolarHBondContact CB-OE2 3.29Å; K104-E106 PolarHBondContact O-N 2.91Å; E106-M108 VanDerWaalsContact C-N 3.28Å; E106-M108 PolarHBondContact O-N 3.08Å; E106-N109 PolarHBondContact O-N 2.94Å; E106-N110 PolarHBondContact O-N 2.98Å; E106-N110 PolarHBondContact O-ND2 3.32Å
107	D	92.4	Very high	88.5	Confident	65 Å²	65	83.2 Å²	83.2	35%	0.348	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-39.5	176.6	-61.1	-41.9	0	0	0	110.8	I103 K104 P105 N110 I111	I103-D107 HydrophobicContact CG1-CB 3.9Å; K104-D107 WeakPolarHBondContact CB-OD2 3.48Å; K104-D107 PolarHBondContact N-OD2 3.42Å; K104-D107 WeakPolarHBondContact O-CB 3.48Å; K104-D107 PolarHBondContact O-N 3.29Å; K104-D107 VanDerWaalsContact O-N 3.12Å; P105-D107 VanDerWaalsContact C-N 3.35Å; P105-D107 PolarHBondContact O-N 3.21Å; D107-N110 PolarHBondContact O-N 3.38Å; D107-I111 WeakPolarHBondContact O-CD1 3.49Å; D107-I111 VanDerWaalsContact O-CG1 3.24Å; D107-I111 WeakPolarHBondContact O-CG1 3.32Å; D107-I111 PolarHBondContact O-N 2.88Å
108	M	91.7	Very high	88.9	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-63.3	-44.1	176.8	-169.9	53.1	65.3	0	0	111.7	L59 P84 F87 W88 W98 I103 K104 P105 E106 N110 I111 I112	L59-M108 HydrophobicContact CD1-CG 4.32Å; L59-M108 HydrophobicContact CD2-CB 3.91Å; L59-M108 HydrophobicContact CD2-CG 3.8Å; P84-M108 HydrophobicContact CB-CG 4.24Å; F87-M108 HydrophobicContact CD1-CE 4.36Å; F87-M108 HydrophobicContact CD1-SD 3.46Å; F87-M108 WeakPolarHBondContact CD1-SD 3.12Å; F87-M108 HydrophobicContact CE1-SD 3.88Å; F87-M108 HydrophobicContact CG-SD 4.48Å; W88-M108 HydrophobicContact CE3-CE 3.53Å; W88-M108 HydrophobicContact CZ3-CE 3.99Å; W98-M108 HydrophobicContact CH2-CE 4.28Å; W98-M108 HydrophobicContact CZ2-CE 3.76Å; I103-M108 HydrophobicContact CD1-CE 3.45Å; I103-M108 VanDerWaalsContact CD1-CE 3.45Å; K104-M108 PolarHBondContact O-N 3.3Å; P105-M108 WeakPolarHBondContact O-CB 3.49Å; P105-M108 PolarHBondContact O-N 3.44Å; E106-M108 VanDerWaalsContact C-N 3.28Å; E106-M108 PolarHBondContact O-N 3.08Å; M108-N110 VanDerWaalsContact C-N 3.32Å; M108-N110 PolarHBondContact O-N 2.93Å; M108-I111 PolarHBondContact O-N 2.74Å; M108-I112 HydrophobicContact CG-CD1 4Å; M108-I112 WeakPolarHBondContact O-CD1 3.33Å; M108-I112 WeakPolarHBondContact O-CG1 3.48Å; M108-I112 PolarHBondContact O-N 2.66Å; M108-I112 VanDerWaalsContact O-N 3.13Å; M108-I112 HydrophobicContact SD-CD1 4.1Å
109	N	92.9	Very high	89.6	Confident	76 Å²	76	78.7 Å²	78.7	41%	0.406	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-42.6	175.3	-68.6	-29.3	0	0	0	111.5	P84 P105 E106 I112 H113	P84-N109 WeakPolarHBondContact CG-OD1 3.38Å; P105-N109 PolarHBondContact O-N 2.93Å; E106-N109 PolarHBondContact O-N 2.94Å; N109-I112 PolarHBondContact O-N 2.92Å; N109-H113 WeakPolarHBondContact O-CB 3.39Å; N109-H113 PolarHBondContact O-N 3.04Å
110	N	94.5	Very high	90.5	Very high	93 Å²	93	72.2 Å²	72.2	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-45.4	178.1	-69.2	-27.8	0	0	0	112.2	E106 D107 M108 I112 H113 I114	E106-N110 PolarHBondContact O-N 2.98Å; E106-N110 PolarHBondContact O-ND2 3.32Å; D107-N110 PolarHBondContact O-N 3.38Å; M108-N110 VanDerWaalsContact C-N 3.32Å; M108-N110 PolarHBondContact O-N 2.93Å; N110-I112 VanDerWaalsContact C-N 3.29Å; N110-I112 PolarHBondContact O-N 3.31Å; N110-H113 PolarHBondContact O-N 2.87Å; N110-I114 WeakPolarHBondContact O-CD1 3.45Å; N110-I114 VanDerWaalsContact O-CG1 3.26Å; N110-I114 WeakPolarHBondContact O-CG1 3.19Å; N110-I114 PolarHBondContact O-N 2.95Å
111	I	93.8	Very high	91.9	Very high	64 Å²	64	69.4 Å²	69.4	33%	0.328	36%	0.355	S	S	.	.	H	α-helix	trans	-57.7	-45.6	178.1	-71.3	163.3	0	0	0	110.6	F87 I103 D107 M108 I114 H115	F87-I111 HydrophobicContact CE1-CG2 4.02Å; F87-I111 HydrophobicContact CZ-CG2 3.9Å; I103-I111 HydrophobicContact CD1-CD1 4.18Å; D107-I111 WeakPolarHBondContact O-CD1 3.49Å; D107-I111 VanDerWaalsContact O-CG1 3.24Å; D107-I111 WeakPolarHBondContact O-CG1 3.32Å; D107-I111 PolarHBondContact O-N 2.88Å; M108-I111 PolarHBondContact O-N 2.74Å; I111-I114 PolarHBondContact O-N 3.46Å; I111-H115 WeakPolarHBondContact O-CB 3.36Å; I111-H115 PolarHBondContact O-N 3.13Å
112	I	94	Very high	92.9	Very high	12 Å²	12	64.4 Å²	64.4	6%	0.062	34%	0.336	C	S	.	.	H	α-helix	trans	-69.7	-42.4	-177.9	-67.8	161.7	0	0	0	110.9	P84 F87 M108 N109 N110 I114 H115 N116	P84-I112 HydrophobicContact CB-CD1 3.63Å; P84-I112 HydrophobicContact CG-CD1 3.68Å; F87-I112 HydrophobicContact CB-CD1 3.87Å; F87-I112 HydrophobicContact CB-CG1 4.12Å; F87-I112 HydrophobicContact CD1-CD1 4.43Å; F87-I112 HydrophobicContact CD1-CG1 4.26Å; F87-I112 HydrophobicContact CD2-CG1 4.26Å; F87-I112 HydrophobicContact CG-CD1 4.17Å; F87-I112 HydrophobicContact CG-CG1 3.96Å; M108-I112 HydrophobicContact CG-CD1 4Å; M108-I112 WeakPolarHBondContact O-CD1 3.33Å; M108-I112 WeakPolarHBondContact O-CG1 3.48Å; M108-I112 PolarHBondContact O-N 2.66Å; M108-I112 VanDerWaalsContact O-N 3.13Å; M108-I112 HydrophobicContact SD-CD1 4.1Å; N109-I112 PolarHBondContact O-N 2.92Å; N110-I112 VanDerWaalsContact C-N 3.29Å; N110-I112 PolarHBondContact O-N 3.31Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 3.34Å; I112-H115 WeakPolarHBondContact O-CB 3.47Å; I112-H115 PolarHBondContact O-N 2.94Å; I112-H115 VanDerWaalsContact O-N 3.13Å; I112-N116 VanDerWaalsContact O-CG 3.3Å; I112-N116 PolarHBondContact O-N 2.89Å; I112-N116 PolarHBondContact O-OD1 3.31Å
113	H	95.8	Very high	93.8	Very high	111 Å²	111	61.5 Å²	61.5	51%	0.514	32%	0.319	S	S	.	.	H	α-helix	trans	-57.2	-47.7	175.3	-179	66.7	0	0	0	111.2	N109 N110 H115 N116 V117	N109-H113 WeakPolarHBondContact O-CB 3.39Å; N109-H113 PolarHBondContact O-N 3.04Å; N110-H113 PolarHBondContact O-N 2.87Å; H113-H115 VanDerWaalsContact C-N 3.3Å; H113-H115 PolarHBondContact O-N 2.94Å; H113-N116 PolarHBondContact O-N 3.08Å; H113-V117 WeakPolarHBondContact O-CB 3.05Å; H113-V117 VanDerWaalsContact O-CG2 3.3Å; H113-V117 WeakPolarHBondContact O-CG2 3.41Å; H113-V117 PolarHBondContact O-N 3.25Å
114	I	96.9	Very high	94.4	Very high	114 Å²	114	67.7 Å²	67.7	59%	0.585	34%	0.341	S	S	*	.	H	α-helix	trans	-59.5	-42.2	176.3	-68.2	163.2	0	0	0	111	N110 I111 I112 V117 N118	N110-I114 WeakPolarHBondContact O-CD1 3.45Å; N110-I114 VanDerWaalsContact O-CG1 3.26Å; N110-I114 WeakPolarHBondContact O-CG1 3.19Å; N110-I114 PolarHBondContact O-N 2.95Å; I111-I114 PolarHBondContact O-N 3.46Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 3.34Å; I114-V117 PolarHBondContact O-N 2.85Å; I114-N118 WeakPolarHBondContact O-CB 3.47Å; I114-N118 PolarHBondContact O-N 3.33Å
115	H	94.3	Very high	94.7	Very high	82 Å²	82	65.5 Å²	65.5	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-45.3	178.7	-173.7	70.8	0	0	0	112.4	I111 I112 H113 N118 N119	I111-H115 WeakPolarHBondContact O-CB 3.36Å; I111-H115 PolarHBondContact O-N 3.13Å; I112-H115 WeakPolarHBondContact O-CB 3.47Å; I112-H115 PolarHBondContact O-N 2.94Å; I112-H115 VanDerWaalsContact O-N 3.13Å; H113-H115 VanDerWaalsContact C-N 3.3Å; H113-H115 PolarHBondContact O-N 2.94Å; H115-N118 PolarHBondContact O-N 3.13Å; H115-N119 PolarHBondContact CD2-ND2 2.92Å; H115-N119 VanDerWaalsContact CD2-ND2 3.32Å; H115-N119 PolarHBondContact NE2-ND2 3.06Å; H115-N119 PolarHBondContact O-N 3.09Å
116	N	95.6	Very high	95	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-47.4	176.9	-68.1	-2.2	0	0	0	110.1	E64 Y81 I112 H113 N118 N119 E120	E64-N116 PolarHBondContact OE2-ND2 2.96Å; Y81-N116 HydrophobicContact CD2-CB 3.94Å; Y81-N116 VanDerWaalsContact CD2-CG 3.49Å; Y81-N116 HydrophobicContact CE2-CB 3.98Å; Y81-N116 HydrophobicContact CG-CB 4.41Å; I112-N116 VanDerWaalsContact O-CG 3.3Å; I112-N116 PolarHBondContact O-N 2.89Å; I112-N116 PolarHBondContact O-OD1 3.31Å; H113-N116 PolarHBondContact O-N 3.08Å; N116-N118 VanDerWaalsContact C-N 3.33Å; N116-N118 PolarHBondContact O-N 2.93Å; N116-N119 PolarHBondContact O-N 3.04Å; N116-N119 VanDerWaalsContact O-N 3.13Å; N116-E120 WeakPolarHBondContact O-CG 3.37Å; N116-E120 PolarHBondContact O-N 2.66Å
117	V	97.4	Very high	95.1	Very high	61 Å²	61	62.4 Å²	62.4	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-55.2	-49.5	174.5	169.7	0	0	0	0	110.3	H113 I114 N119 E120 L121	H113-V117 WeakPolarHBondContact O-CB 3.05Å; H113-V117 VanDerWaalsContact O-CG2 3.3Å; H113-V117 WeakPolarHBondContact O-CG2 3.41Å; H113-V117 PolarHBondContact O-N 3.25Å; I114-V117 PolarHBondContact O-N 2.85Å; V117-N119 VanDerWaalsContact C-N 3.3Å; V117-N119 PolarHBondContact O-N 3.06Å; V117-E120 WeakPolarHBondContact O-CB 3.24Å; V117-E120 PolarHBondContact O-N 2.95Å; V117-E120 VanDerWaalsContact O-N 3.13Å; V117-L121 HydrophobicContact CG1-CD1 4.43Å; V117-L121 HydrophobicContact CG1-CG 4.26Å; V117-L121 VanDerWaalsContact O-CG 3.3Å; V117-L121 WeakPolarHBondContact O-CG 3.38Å; V117-L121 PolarHBondContact O-N 3.31Å
118	N	96.5	Very high	95.2	Very high	90 Å²	90	65 Å²	65	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-39.3	179	-178.5	79.9	0	0	0	112.7	I114 H115 N116 L121 A122	I114-N118 WeakPolarHBondContact O-CB 3.47Å; I114-N118 PolarHBondContact O-N 3.33Å; H115-N118 PolarHBondContact O-N 3.13Å; N116-N118 VanDerWaalsContact C-N 3.33Å; N116-N118 PolarHBondContact O-N 2.93Å; N118-L121 WeakPolarHBondContact O-CB 3.46Å; N118-L121 PolarHBondContact O-N 3.36Å; N118-A122 WeakPolarHBondContact O-CB 3.38Å; N118-A122 PolarHBondContact O-N 3.42Å
119	N	95.4	Very high	95.2	Very high	34 Å²	34	72.6 Å²	72.6	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-65.4	-41.1	175.6	-69.6	-18.3	0	0	0	111.7	Y81 H115 N116 V117 A122 W123	Y81-N119 HydrophobicContact CE1-CB 3.95Å; H115-N119 PolarHBondContact CD2-ND2 2.92Å; H115-N119 VanDerWaalsContact CD2-ND2 3.32Å; H115-N119 PolarHBondContact NE2-ND2 3.06Å; H115-N119 PolarHBondContact O-N 3.09Å; N116-N119 PolarHBondContact O-N 3.04Å; N116-N119 VanDerWaalsContact O-N 3.13Å; V117-N119 VanDerWaalsContact C-N 3.3Å; V117-N119 PolarHBondContact O-N 3.06Å; N119-A122 PolarHBondContact O-N 2.94Å; N119-W123 PolarHBondContact O-N 3.17Å
120	E	97.5	Very high	95.2	Very high	39 Å²	39	71.5 Å²	71.5	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-38.2	174.2	-65.2	-60.9	152.6	0	0	111.9	S66 S67 Y81 N116 V117 W123 R124	S66-E120 WeakPolarHBondContact CA-OE1 3.42Å; S66-E120 VanDerWaalsContact CB-OE1 3.28Å; S66-E120 WeakPolarHBondContact CB-OE1 3.5Å; S67-E120 VanDerWaalsContact CB-OE2 3.24Å; S67-E120 WeakPolarHBondContact CB-OE2 3.39Å; S67-E120 PolarHBondContact N-OE1 3.21Å; S67-E120 PolarHBondContact OG-OE2 3.39Å; Y81-E120 WeakPolarHBondContact CE2-OE1 3.42Å; Y81-E120 VanDerWaalsContact OH-CD 3.3Å; Y81-E120 PolarHBondContact OH-OE1 3.16Å; N116-E120 WeakPolarHBondContact O-CG 3.37Å; N116-E120 PolarHBondContact O-N 2.66Å; V117-E120 WeakPolarHBondContact O-CB 3.24Å; V117-E120 PolarHBondContact O-N 2.95Å; V117-E120 VanDerWaalsContact O-N 3.13Å; E120-W123 PolarHBondContact O-N 2.66Å; E120-R124 WeakPolarHBondContact O-CG 3.49Å; E120-R124 PolarHBondContact O-N 2.68Å
121	L	97.6	Very high	95.1	Very high	78 Å²	78	70.2 Å²	70.2	41%	0.408	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-47.1	173	-63.7	-169.8	0	0	0	111.3	V117 N118 W123 R124 E125	V117-L121 HydrophobicContact CG1-CD1 4.43Å; V117-L121 HydrophobicContact CG1-CG 4.26Å; V117-L121 VanDerWaalsContact O-CG 3.3Å; V117-L121 WeakPolarHBondContact O-CG 3.38Å; V117-L121 PolarHBondContact O-N 3.31Å; N118-L121 WeakPolarHBondContact O-CB 3.46Å; N118-L121 PolarHBondContact O-N 3.36Å; L121-W123 VanDerWaalsContact C-N 3.31Å; L121-W123 PolarHBondContact O-N 2.92Å; L121-R124 PolarHBondContact O-N 2.73Å; L121-E125 PolarHBondContact O-N 3.45Å; L121-E125 VanDerWaalsContact O-N 3.08Å
122	A	95.7	Very high	95	Very high	54 Å²	54	73.1 Å²	73.1	45%	0.446	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-43	178.5	0	0	0	0	0	110.9	N118 N119 R124 E125 V126	N118-A122 WeakPolarHBondContact O-CB 3.38Å; N118-A122 PolarHBondContact O-N 3.42Å; N119-A122 PolarHBondContact O-N 2.94Å; A122-R124 PolarHBondContact O-N 3.1Å; A122-E125 WeakPolarHBondContact O-CB 3.38Å; A122-E125 PolarHBondContact O-N 2.5Å; A122-E125 VanDerWaalsContact O-N 3.15Å; A122-V126 WeakPolarHBondContact O-CG2 3.28Å; A122-V126 PolarHBondContact O-N 2.96Å
123	W	95.6	Very high	94.8	Very high	16 Å²	16	76.1 Å²	76.1	6%	0.061	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-42.7	175.9	-177.4	-121.3	0	0	0	112.6	I68 P69 N119 E120 L121 E125 V126 L127 L142	I68-W123 HydrophobicContact CB-CD2 4.45Å; I68-W123 HydrophobicContact CB-CG 4.4Å; I68-W123 HydrophobicContact CD1-CB 3.84Å; I68-W123 HydrophobicContact CD1-CG 4.07Å; I68-W123 HydrophobicContact CG1-CB 3.91Å; I68-W123 HydrophobicContact CG1-CD2 4.16Å; I68-W123 HydrophobicContact CG1-CG 3.65Å; I68-W123 HydrophobicContact CG2-CD2 3.79Å; I68-W123 HydrophobicContact CG2-CE3 4.01Å; I68-W123 HydrophobicContact CG2-CG 4.22Å; I68-W123 HydrophobicContact CG2-CH2 4.45Å; I68-W123 HydrophobicContact CG2-CZ2 4.23Å; I68-W123 HydrophobicContact CG2-CZ3 4.33Å; P69-W123 HydrophobicContact CG-CZ2 4.23Å; N119-W123 PolarHBondContact O-N 3.17Å; E120-W123 PolarHBondContact O-N 2.66Å; L121-W123 VanDerWaalsContact C-N 3.31Å; L121-W123 PolarHBondContact O-N 2.92Å; W123-E125 PolarHBondContact O-N 3.2Å; W123-V126 HydrophobicContact CE3-CB 4.04Å; W123-V126 HydrophobicContact CE3-CG1 4.04Å; W123-V126 HydrophobicContact CE3-CG2 4.44Å; W123-V126 HydrophobicContact CH2-CG1 4.45Å; W123-V126 HydrophobicContact CZ3-CB 4.26Å; W123-V126 HydrophobicContact CZ3-CG1 3.74Å; W123-V126 WeakPolarHBondContact O-CB 3.39Å; W123-V126 PolarHBondContact O-N 3.24Å; W123-V126 VanDerWaalsContact O-N 3.16Å; W123-L127 HydrophobicContact CD2-CG 4.43Å; W123-L127 HydrophobicContact CH2-CD2 4.34Å; W123-L127 HydrophobicContact CZ2-CD2 3.7Å; W123-L127 HydrophobicContact CZ2-CG 4.29Å; W123-L127 WeakPolarHBondContact O-CG 3.21Å; W123-L127 PolarHBondContact O-N 3.25Å; W123-L142 HydrophobicContact CH2-CB 4.16Å; W123-L142 HydrophobicContact CZ3-CB 3.95Å; W123-L142 HydrophobicContact CZ3-CD1 4.35Å
124	R	96.7	Very high	94.5	Very high	139 Å²	139	72.5 Å²	72.5	53%	0.525	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-34.5	174.9	-72.3	-169.8	-63.3	131.3	-22.5	112.6	E120 L121 A122 L127 K128	E120-R124 WeakPolarHBondContact O-CG 3.49Å; E120-R124 PolarHBondContact O-N 2.68Å; L121-R124 PolarHBondContact O-N 2.73Å; A122-R124 PolarHBondContact O-N 3.1Å; R124-L127 PolarHBondContact O-N 3.22Å; R124-K128 WeakPolarHBondContact O-CG 3.16Å; R124-K128 PolarHBondContact O-N 3.47Å
125	E	96	Very high	94.2	Very high	90 Å²	90	73.7 Å²	73.7	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-70.6	-39.3	175.9	-166.8	58.9	-155.9	0	0	112.1	L121 A122 W123 L127 K128 W129	L121-E125 PolarHBondContact O-N 3.45Å; L121-E125 VanDerWaalsContact O-N 3.08Å; A122-E125 WeakPolarHBondContact O-CB 3.38Å; A122-E125 PolarHBondContact O-N 2.5Å; A122-E125 VanDerWaalsContact O-N 3.15Å; W123-E125 PolarHBondContact O-N 3.2Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 3.46Å; E125-K128 WeakPolarHBondContact O-CB 3.37Å; E125-K128 PolarHBondContact O-N 2.95Å; E125-K128 WeakPolarHBondContact OE2-CD 3.36Å; E125-K128 IonicContact OE2-NZ 2.74Å; E125-K128 PolarHBondContact OE2-NZ 3.01Å; E125-W129 PolarHBondContact O-N 3.29Å
126	V	92.7	Very high	94	Very high	22 Å²	22	77.1 Å²	77.1	13%	0.133	39%	0.393	C	S	.	.	H	α-helix	trans	-56.9	-48.2	170.7	171.4	0	0	0	0	110.4	A122 W123 K128 W129 E130 I174	A122-V126 WeakPolarHBondContact O-CG2 3.28Å; A122-V126 PolarHBondContact O-N 2.96Å; W123-V126 HydrophobicContact CE3-CB 4.04Å; W123-V126 HydrophobicContact CE3-CG1 4.04Å; W123-V126 HydrophobicContact CE3-CG2 4.44Å; W123-V126 HydrophobicContact CH2-CG1 4.45Å; W123-V126 HydrophobicContact CZ3-CB 4.26Å; W123-V126 HydrophobicContact CZ3-CG1 3.74Å; W123-V126 WeakPolarHBondContact O-CB 3.39Å; W123-V126 PolarHBondContact O-N 3.24Å; W123-V126 VanDerWaalsContact O-N 3.16Å; V126-K128 PolarHBondContact O-N 3.16Å; V126-W129 CarbonylContact O-C 3.35Å; V126-W129 WeakPolarHBondContact O-CA 3.27Å; V126-W129 WeakPolarHBondContact O-CB 3.35Å; V126-W129 PolarHBondContact O-N 3.15Å; V126-E130 HydrophobicContact CG1-CG 4.02Å; V126-E130 WeakPolarHBondContact O-CG 3.3Å; V126-E130 PolarHBondContact O-N 3.47Å; V126-I174 HydrophobicContact CG1-CG2 3.68Å; V126-I174 HydrophobicContact CG2-CD1 3.51Å; V126-I174 HydrophobicContact CG2-CG2 4.2Å
127	L	94	Very high	93.5	Very high	64 Å²	64	79.3 Å²	79.3	34%	0.335	41%	0.408	S	S	.	.	H	α-helix	trans	-59.8	-33.4	-179.7	-68.2	178.9	0	0	0	113.2	W123 R124 E125 A131 P140	W123-L127 HydrophobicContact CD2-CG 4.43Å; W123-L127 HydrophobicContact CH2-CD2 4.34Å; W123-L127 HydrophobicContact CZ2-CD2 3.7Å; W123-L127 HydrophobicContact CZ2-CG 4.29Å; W123-L127 WeakPolarHBondContact O-CG 3.21Å; W123-L127 PolarHBondContact O-N 3.25Å; R124-L127 PolarHBondContact O-N 3.22Å; E125-L127 VanDerWaalsContact C-N 3.32Å; E125-L127 PolarHBondContact O-N 3.46Å; L127-A131 WeakPolarHBondContact O-CB 3.39Å; L127-A131 PolarHBondContact O-N 3.4Å; L127-P140 HydrophobicContact CD2-CB 4.29Å; L127-P140 HydrophobicContact CD2-CG 3.4Å
128	K	94.7	Very high	93.1	Very high	120 Å²	120	83.6 Å²	83.6	52%	0.522	43%	0.426	S	S	.	.	H	α-helix	trans	-66.6	-39.4	173.2	-66.9	174.7	-164.8	162.4	0	111.8	R124 E125 V126 A131	R124-K128 WeakPolarHBondContact O-CG 3.16Å; R124-K128 PolarHBondContact O-N 3.47Å; E125-K128 WeakPolarHBondContact O-CB 3.37Å; E125-K128 PolarHBondContact O-N 2.95Å; E125-K128 WeakPolarHBondContact OE2-CD 3.36Å; E125-K128 IonicContact OE2-NZ 2.74Å; E125-K128 PolarHBondContact OE2-NZ 3.01Å; V126-K128 PolarHBondContact O-N 3.16Å; K128-A131 PolarHBondContact O-N 2.6Å
129	W	91.6	Very high	92.8	Very high	159 Å²	159	84.2 Å²	84.2	60%	0.602	43%	0.433	S	S	*	.	H	α-helix	trans	-65.8	-43.4	174.9	-98.8	98.4	0	0	0	112.1	E125 V126 A131 L132 H133	E125-W129 PolarHBondContact O-N 3.29Å; V126-W129 CarbonylContact O-C 3.35Å; V126-W129 WeakPolarHBondContact O-CA 3.27Å; V126-W129 WeakPolarHBondContact O-CB 3.35Å; V126-W129 PolarHBondContact O-N 3.15Å; W129-A131 VanDerWaalsContact C-N 3.3Å; W129-A131 PolarHBondContact O-N 3Å; W129-L132 HydrophobicContact CE3-CD1 4.31Å; W129-L132 WeakPolarHBondContact O-CB 3.41Å; W129-L132 PolarHBondContact O-N 2.89Å; W129-H133 PolarHBondContact O-ND1 2.89Å; W129-H133 VanDerWaalsContact O-ND1 3.16Å
130	E	93.5	Very high	92.6	Very high	52 Å²	52	83.9 Å²	83.9	24%	0.243	43%	0.433	C	S	.	.	H	α-helix	trans	-65.4	-33.2	176.8	-67.1	-60.8	130.6	0	0	111.9	V126 L132 H133 A134 P140	V126-E130 HydrophobicContact CG1-CG 4.02Å; V126-E130 WeakPolarHBondContact O-CG 3.3Å; V126-E130 PolarHBondContact O-N 3.47Å; E130-L132 PolarHBondContact O-N 2.93Å; E130-L132 VanDerWaalsContact O-N 3.16Å; E130-H133 CarbonylContact O-C 3.59Å; E130-H133 WeakPolarHBondContact O-CA 3.4Å; E130-H133 PolarHBondContact O-N 2.98Å; E130-A134 PolarHBondContact O-N 2.87Å; E130-P140 HydrophobicContact CB-CB 4.07Å; E130-P140 HydrophobicContact CB-CG 4.02Å; E130-P140 HydrophobicContact CG-CB 3.82Å; E130-P140 HydrophobicContact CG-CG 4.25Å
131	A	92.3	Very high	92.5	Very high	66 Å²	66	86.2 Å²	86.2	55%	0.545	44%	0.442	S	S	.	.	H	α-helix	trans	-61	-24.9	176	0	0	0	0	0	113.2	L127 K128 W129 H133 A134	L127-A131 WeakPolarHBondContact O-CB 3.39Å; L127-A131 PolarHBondContact O-N 3.4Å; K128-A131 PolarHBondContact O-N 2.6Å; W129-A131 VanDerWaalsContact C-N 3.3Å; W129-A131 PolarHBondContact O-N 3Å; A131-H133 PolarHBondContact O-N 2.85Å; A131-A134 WeakPolarHBondContact O-CB 3.33Å
132	L	91.9	Very high	92.2	Very high	126 Å²	126	82.9 Å²	82.9	66%	0.66	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.9	173.5	-58	176.1	0	0	0	112.8	W129 E130	W129-L132 HydrophobicContact CE3-CD1 4.31Å; W129-L132 WeakPolarHBondContact O-CB 3.41Å; W129-L132 PolarHBondContact O-N 2.89Å; E130-L132 PolarHBondContact O-N 2.93Å; E130-L132 VanDerWaalsContact O-N 3.16Å
133	H	89.7	Confident	92	Very high	75 Å²	75	86.2 Å²	86.2	35%	0.347	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	24.6	-179.6	-54.3	86.4	0	0	0	111.4	W129 E130 A131 N135 E136 C137	W129-H133 PolarHBondContact O-ND1 2.89Å; W129-H133 VanDerWaalsContact O-ND1 3.16Å; E130-H133 CarbonylContact O-C 3.59Å; E130-H133 WeakPolarHBondContact O-CA 3.4Å; E130-H133 PolarHBondContact O-N 2.98Å; A131-H133 PolarHBondContact O-N 2.85Å; H133-N135 PolarHBondContact O-N 2.8Å; H133-E136 WeakPolarHBondContact O-CB 3.42Å; H133-E136 PolarHBondContact O-N 3.08Å; H133-C137 PolarHBondContact O-N 2.91Å
134	A	88.5	Confident	91.7	Very high	34 Å²	34	91 Å²	91	28%	0.281	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25	-174.3	0	0	0	0	0	113.7	E130 A131 E136 M138	E130-A134 PolarHBondContact O-N 2.87Å; A131-A134 WeakPolarHBondContact O-CB 3.33Å; A134-E136 PolarHBondContact O-N 2.88Å; A134-M138 HydrophobicContact CB-SD 3.87Å; A134-M138 WeakPolarHBondContact O-CG 3.48Å
135	N	90.7	Very high	91.1	Very high	140 Å²	140	88.1 Å²	88.1	75%	0.749	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.9	173.9	61.3	-54.2	0	0	0	113.7	H133	H133-N135 PolarHBondContact O-N 2.8Å
136	E	90	Very high	90.3	Very high	153 Å²	153	85 Å²	85	72%	0.715	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-43.7	177.8	-61	179.2	-162.2	0	0	111.4	H133 A134	H133-E136 WeakPolarHBondContact O-CB 3.42Å; H133-E136 PolarHBondContact O-N 3.08Å; A134-E136 PolarHBondContact O-N 2.88Å
137	C	85.6	Confident	89.3	Confident	54 Å²	54	87.3 Å²	87.3	37%	0.365	45%	0.453	S	S	.	.			trans	-146.7	116.1	-179.1	-172.9	0	0	0	0	111.7	H133	H133-C137 PolarHBondContact O-N 2.91Å
138	M	88.6	Confident	88.2	Confident	151 Å²	151	88 Å²	88	74%	0.744	46%	0.457	S	S	*	.	S	Bend	trans	-84.2	-15.1	179.1	-71.5	-65.2	-60.8	0	0	113.8	A134	A134-M138 HydrophobicContact CB-SD 3.87Å; A134-M138 WeakPolarHBondContact O-CG 3.48Å
139	T	90.5	Very high	87	Confident	102 Å²	102	84.7 Å²	84.7	63%	0.626	45%	0.452	S	S	*	.	S	Bend	trans	-133.5	73.8	-173.9	57.8	0	0	0	0	110.6
140	P	92.5	Very high	86.1	Confident	28 Å²	28	85.8 Å²	85.8	18%	0.182	46%	0.461	C	S	.	.			trans	-61.7	138.4	-179.9	26.2	-35.7	0	0	0	111.1	L127 E130	L127-P140 HydrophobicContact CD2-CB 4.29Å; L127-P140 HydrophobicContact CD2-CG 3.4Å; E130-P140 HydrophobicContact CB-CB 4.07Å; E130-P140 HydrophobicContact CB-CG 4.02Å; E130-P140 HydrophobicContact CG-CB 3.82Å; E130-P140 HydrophobicContact CG-CG 4.25Å
141	K	93.4	Very high	85.4	Confident	87 Å²	87	88.3 Å²	88.3	38%	0.378	48%	0.476	S	S	.	.			trans	-134.4	147.9	176.9	-58.3	-178.3	-177.9	179.1	0	110.2	P69 A71	P69-K141 HydrophobicContact CB-CB 4.47Å; P69-K141 HydrophobicContact CB-CG 4.09Å; P69-K141 HydrophobicContact CG-CB 4.31Å; P69-K141 HydrophobicContact CG-CG 4.05Å; A71-K141 HydrophobicContact CB-CB 3.99Å
142	L	92.8	Very high	84.6	Confident	9 Å²	9	90.4 Å²	90.4	5%	0.047	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-89.1	118.9	-179.6	-174.2	68.6	0	0	0	110.4	I68 P69 A71 W79 W123 F145 I174	I68-L142 HydrophobicContact CG2-CB 3.74Å; I68-L142 HydrophobicContact CG2-CD2 3.9Å; P69-L142 PolarHBondContact O-N 3.03Å; A71-L142 PolarHBondContact N-O 3.19Å; W79-L142 PolarHBondContact NE1-O 3.46Å; W123-L142 HydrophobicContact CH2-CB 4.16Å; W123-L142 HydrophobicContact CZ3-CB 3.95Å; W123-L142 HydrophobicContact CZ3-CD1 4.35Å; L142-F145 HydrophobicContact CD2-CD1 3.86Å; L142-F145 HydrophobicContact CD2-CD2 3.53Å; L142-F145 HydrophobicContact CD2-CE1 3.54Å; L142-F145 HydrophobicContact CD2-CE2 3.21Å; L142-F145 HydrophobicContact CD2-CG 3.86Å; L142-F145 HydrophobicContact CD2-CZ 3.2Å; L142-I174 HydrophobicContact CD1-CG2 4.03Å
143	R	91.2	Very high	84	Confident	123 Å²	123	85.1 Å²	85.1	46%	0.464	45%	0.445	S	S	.	.			trans	-77.3	-47.1	179.1	-167.9	-172.7	-79	-84.3	3.1	112.6	A71 D72	A71-R143 HydrophobicContact CB-CB 3.87Å; A71-R143 HydrophobicContact CB-CG 4.23Å; D72-R143 IonicContact OD1-CZ 3.11Å; D72-R143 IonicContact OD1-NH1 3.89Å; D72-R143 PolarHBondContact OD1-NH1 3.26Å; D72-R143 VanDerWaalsContact OD1-NH1 3.11Å; D72-R143 IonicContact OD2-NH1 3.97Å
144	R	89.5	Confident	83.5	Confident	118 Å²	118	85.8 Å²	85.8	45%	0.445	46%	0.456	S	S	.	.			trans	-142.3	143.8	-174.5	-59.7	177	84.9	170.9	0.7	111.9	P40 E41	P40-R144 PolarHBondContact O-NE 3.5Å; P40-R144 PolarHBondContact O-NH2 3.28Å; E41-R144 CarbonylContact O-C 3.56Å; E41-R144 WeakPolarHBondContact O-CA 3.07Å; E41-R144 VanDerWaalsContact O-CB 3.28Å; E41-R144 WeakPolarHBondContact O-CB 3.29Å
145	F	83	Confident	83.1	Confident	77 Å²	77	92.3 Å²	92.3	34%	0.338	47%	0.473	S	S	.	.			trans	-101.3	68.5	167.1	-89.8	-71	0	0	0	109.4	E41 N42 I68 W79 L142	E41-F145 PolarHBondContact O-N 2.92Å; N42-F145 WeakPolarHBondContact CA-O 3.18Å; N42-F145 HydrophobicContact CB-CB 4.01Å; I68-F145 HydrophobicContact CD1-CZ 3.72Å; W79-F145 HydrophobicContact CB-CE2 3.88Å; W79-F145 AromaticContact CD1-CE2 3.71Å; W79-F145 AromaticContact CD2-CD2 3.47Å; W79-F145 HydrophobicContact CD2-CD2 3.47Å; W79-F145 VanDerWaalsContact CD2-CD2 3.47Å; W79-F145 AromaticContact CD2-CE2 3.52Å; W79-F145 HydrophobicContact CD2-CE2 3.52Å; W79-F145 AromaticContact CE2-CD2 3.62Å; W79-F145 AromaticContact CE2-CE2 3.78Å; W79-F145 AromaticContact CE3-CD2 3.63Å; W79-F145 HydrophobicContact CE3-CD2 3.63Å; W79-F145 HydrophobicContact CE3-CE2 4.06Å; W79-F145 AromaticContact CG-CD2 3.96Å; W79-F145 HydrophobicContact CG-CD2 3.96Å; W79-F145 AromaticContact CG-CE2 3.45Å; W79-F145 HydrophobicContact CG-CE2 3.45Å; W79-F145 VanDerWaalsContact CG-CE2 3.45Å; W79-F145 AromaticContact CH2-CD2 3.92Å; W79-F145 HydrophobicContact CH2-CD2 3.92Å; W79-F145 AromaticContact CZ2-CD2 3.86Å; W79-F145 HydrophobicContact CZ2-CD2 3.86Å; W79-F145 HydrophobicContact CZ2-CE2 4.45Å; W79-F145 AromaticContact CZ3-CD2 3.86Å; W79-F145 HydrophobicContact CZ3-CD2 3.86Å; W79-F145 AromaticContact NE1-CE2 3.93Å; L142-F145 HydrophobicContact CD2-CD1 3.86Å; L142-F145 HydrophobicContact CD2-CD2 3.53Å; L142-F145 HydrophobicContact CD2-CE1 3.54Å; L142-F145 HydrophobicContact CD2-CE2 3.21Å; L142-F145 HydrophobicContact CD2-CG 3.86Å; L142-F145 HydrophobicContact CD2-CZ 3.2Å
146	A	78.8	Confident	82.5	Confident	26 Å²	26	86 Å²	86	22%	0.215	44%	0.44	C	S	.	.			trans	-132.9	123.5	179.7	0	0	0	0	0	110.3	L43 A173	L43-A146 HydrophobicContact CD1-CB 3.88Å; L43-A146 HydrophobicContact CG-CB 4.13Å; A146-A173 WeakPolarHBondContact O-CB 3.5Å
147	G	72.2	Confident	82.1	Confident	69 Å²	69	87 Å²	87	71%	0.711	44%	0.437	S	S	*	.			trans	-91.8	140.4	167.5	0	0	0	0	0	110.2
148	D	71.1	Confident	82.1	Confident	79 Å²	79	89.2 Å²	89.2	42%	0.422	44%	0.444	S	S	.	.			trans	-102.1	94.4	169.2	-166.9	-27.1	0	0	0	109.9	K150 N151	D148-K150 PolarHBondContact O-N 3.41Å; D148-K150 PolarHBondContact OD1-N 3.25Å; D148-N151 HydrophobicContact CB-CB 4.27Å; D148-N151 PolarHBondContact OD1-N 3.48Å; D148-N151 WeakPolarHBondContact OD2-CB 3.38Å; D148-N151 PolarHBondContact OD2-ND2 3.05Å
149	A	69.6	Low	81.6	Confident	50 Å²	50	86.6 Å²	86.6	41%	0.413	43%	0.426	S	S	.	.	S	Bend	trans	-70	-15.7	179.6	0	0	0	0	0	113.2
150	K	73.8	Confident	81	Confident	183 Å²	183	89.8 Å²	89.8	80%	0.796	43%	0.427	S	S	*	.	S	Bend	trans	-90.3	-34.2	-178.4	-65.7	179.6	178.7	179	0	111.2	D148 Y152	D148-K150 PolarHBondContact O-N 3.41Å; D148-K150 PolarHBondContact OD1-N 3.25Å; K150-Y152 PolarHBondContact O-N 3.16Å
151	N	78.3	Confident	80.5	Confident	105 Å²	105	92.7 Å²	92.7	56%	0.561	45%	0.453	S	S	*	.	S	Bend	trans	-93.9	95.4	-179.3	-71.4	-39.2	0	0	0	111.5	D148 N170	D148-N151 HydrophobicContact CB-CB 4.27Å; D148-N151 PolarHBondContact OD1-N 3.48Å; D148-N151 WeakPolarHBondContact OD2-CB 3.38Å; D148-N151 PolarHBondContact OD2-ND2 3.05Å; N151-N170 PolarHBondContact O-ND2 2.72Å
152	Y	75.7	Confident	80.1	Confident	109 Å²	109	94.9 Å²	94.9	43%	0.427	47%	0.467	S	S	.	.			trans	-73.9	142.2	174.5	-61.9	-71.4	0	0	0	112.4	K150 A156 L167 N170	K150-Y152 PolarHBondContact O-N 3.16Å; Y152-A156 HydrophobicContact CD1-CB 4.43Å; Y152-L167 HydrophobicContact CD1-CD2 3.25Å; Y152-L167 HydrophobicContact CD1-CG 4.49Å; Y152-L167 HydrophobicContact CD2-CD2 4.28Å; Y152-L167 HydrophobicContact CE1-CB 4.2Å; Y152-L167 HydrophobicContact CE1-CD2 3.24Å; Y152-L167 HydrophobicContact CE1-CG 4.33Å; Y152-L167 HydrophobicContact CE2-CD2 4.28Å; Y152-L167 HydrophobicContact CG-CD2 3.78Å; Y152-N170 VanDerWaalsContact C-ND2 3.29Å
153	S	78.3	Confident	79.2	Confident	16 Å²	16	97.7 Å²	97.7	11%	0.112	50%	0.497	C	S	.	.			trans	-62.2	155.2	174.5	47.5	0	0	0	0	110.1	R155 A156 R157 N170	S153-R155 PolarHBondContact O-N 3.21Å; S153-R155 VanDerWaalsContact O-N 3.16Å; S153-A156 PolarHBondContact O-N 3.45Å; S153-A156 VanDerWaalsContact OG-CB 3.3Å; S153-A156 WeakPolarHBondContact OG-CB 3.16Å; S153-A156 PolarHBondContact OG-N 2.96Å; S153-R157 WeakPolarHBondContact O-CG 3.28Å; S153-R157 PolarHBondContact O-N 2.87Å; S153-N170 WeakPolarHBondContact CA-ND2 3.11Å; S153-N170 WeakPolarHBondContact CB-OD1 3.48Å; S153-N170 VanDerWaalsContact N-CG 3.3Å; S153-N170 PolarHBondContact N-ND2 3.11Å
154	P	79.9	Confident	77.9	Confident	89 Å²	89	94.6 Å²	94.6	58%	0.578	49%	0.494	S	S	*	.	H	α-helix	trans	-47.8	-42.4	167.5	-27.8	35.2	0	0	0	111.9	R157 I158	P154-R157 PolarHBondContact O-N 3.15Å; P154-I158 VanDerWaalsContact O-CG1 3.27Å; P154-I158 WeakPolarHBondContact O-CG1 3.46Å; P154-I158 PolarHBondContact O-N 2.65Å
155	R	79.9	Confident	76.2	Confident	171 Å²	171	97.6 Å²	97.6	65%	0.645	52%	0.519	S	S	*	.	H	α-helix	trans	-60.7	-47.2	175.2	-175.2	-179.9	172.5	110.9	-5.4	112.9	S153 R157 I158 R159	S153-R155 PolarHBondContact O-N 3.21Å; S153-R155 VanDerWaalsContact O-N 3.16Å; R155-R157 VanDerWaalsContact C-N 3.33Å; R155-I158 PolarHBondContact O-N 3.49Å; R155-R159 VanDerWaalsContact NH2-NH2 3.15Å; R155-R159 PolarHBondContact O-N 3.32Å
156	A	77.8	Confident	74.8	Confident	7 Å²	7	97.2 Å²	97.2	6%	0.058	53%	0.525	C	S	.	.	H	α-helix	trans	-64.6	-37.7	177.6	0	0	0	0	0	111.9	Y152 S153 R159 R160 L167	Y152-A156 HydrophobicContact CD1-CB 4.43Å; S153-A156 PolarHBondContact O-N 3.45Å; S153-A156 VanDerWaalsContact OG-CB 3.3Å; S153-A156 WeakPolarHBondContact OG-CB 3.16Å; S153-A156 PolarHBondContact OG-N 2.96Å; A156-R159 PolarHBondContact O-N 3.16Å; A156-R160 WeakPolarHBondContact O-CB 3.43Å; A156-R160 PolarHBondContact O-N 2.68Å; A156-L167 HydrophobicContact CB-CD2 4.43Å
157	R	82.7	Confident	73.5	Confident	173 Å²	173	99.1 Å²	99.1	65%	0.653	53%	0.531	S	S	*	.	H	α-helix	trans	-63.6	-44.1	174.8	-67.2	174.1	67.4	179.9	1	111.9	S153 P154 R155 R160 A161	S153-R157 WeakPolarHBondContact O-CG 3.28Å; S153-R157 PolarHBondContact O-N 2.87Å; P154-R157 PolarHBondContact O-N 3.15Å; R155-R157 VanDerWaalsContact C-N 3.33Å; R157-R160 WeakPolarHBondContact O-CB 3.48Å; R157-R160 PolarHBondContact O-N 3.48Å; R157-A161 PolarHBondContact O-N 3.29Å
158	I	83.7	Confident	72.2	Confident	101 Å²	101	99.4 Å²	99.4	52%	0.518	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-45.4	177.6	-66.8	164.3	0	0	0	110.7	P154 R155 R160 A161 M162	P154-I158 VanDerWaalsContact O-CG1 3.27Å; P154-I158 WeakPolarHBondContact O-CG1 3.46Å; P154-I158 PolarHBondContact O-N 2.65Å; R155-I158 PolarHBondContact O-N 3.49Å; I158-R160 VanDerWaalsContact C-N 3.3Å; I158-R160 PolarHBondContact O-N 3.45Å; I158-A161 WeakPolarHBondContact O-CB 3.46Å; I158-A161 PolarHBondContact O-N 2.94Å; I158-A161 VanDerWaalsContact O-N 3.08Å; I158-M162 HydrophobicContact CG2-CE 4.1Å; I158-M162 HydrophobicContact CG2-CG 4.45Å; I158-M162 HydrophobicContact CG2-SD 4.36Å; I158-M162 WeakPolarHBondContact O-CG 3.43Å; I158-M162 PolarHBondContact O-N 2.67Å
159	R	78.3	Confident	71	Confident	96 Å²	96	104.2 Å²	104.2	36%	0.362	54%	0.54	S	S	.	.	H	α-helix	trans	-59.5	-40.8	175.5	-79.2	-174.3	173.4	-153.7	-4.6	112.5	R155 A156 A161 M162 G163 S164	R155-R159 VanDerWaalsContact NH2-NH2 3.15Å; R155-R159 PolarHBondContact O-N 3.32Å; A156-R159 PolarHBondContact O-N 3.16Å; R159-A161 VanDerWaalsContact C-N 3.33Å; R159-M162 PolarHBondContact O-N 2.91Å; R159-G163 PolarHBondContact O-N 3.3Å; R159-S164 PolarHBondContact O-N 3.47Å; R159-S164 VanDerWaalsContact O-N 3.16Å
160	R	79.1	Confident	69.7	Low	170 Å²	170	103.6 Å²	103.6	64%	0.642	53%	0.53	S	S	*	.	H	α-helix	trans	-60.4	-43.2	173	-176.2	179.8	-179.2	-146	-0.9	111.5	A156 R157 I158 M162 G163 L167	A156-R160 WeakPolarHBondContact O-CB 3.43Å; A156-R160 PolarHBondContact O-N 2.68Å; R157-R160 WeakPolarHBondContact O-CB 3.48Å; R157-R160 PolarHBondContact O-N 3.48Å; I158-R160 VanDerWaalsContact C-N 3.3Å; I158-R160 PolarHBondContact O-N 3.45Å; R160-M162 VanDerWaalsContact C-N 3.31Å; R160-M162 PolarHBondContact O-N 2.83Å; R160-G163 PolarHBondContact O-N 3.41Å; R160-L167 HydrophobicContact CB-CD1 4.05Å; R160-L167 HydrophobicContact CB-CD2 4.3Å; R160-L167 HydrophobicContact CB-CG 4.35Å; R160-L167 HydrophobicContact CG-CD1 4.01Å
161	A	82.2	Confident	68.3	Low	89 Å²	89	100.5 Å²	100.5	74%	0.736	53%	0.526	S	S	*	.	H	α-helix	trans	-65.2	-33.7	177.9	0	0	0	0	0	112.6	R157 I158 R159 G163	R157-A161 PolarHBondContact O-N 3.29Å; I158-A161 WeakPolarHBondContact O-CB 3.46Å; I158-A161 PolarHBondContact O-N 2.94Å; I158-A161 VanDerWaalsContact O-N 3.08Å; R159-A161 VanDerWaalsContact C-N 3.33Å; A161-G163 PolarHBondContact O-N 2.87Å
162	M	85.2	Confident	66.4	Low	133 Å²	133	100.9 Å²	100.9	66%	0.655	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	11.3	177	-62	-166.5	-58.1	0	0	114.1	I158 R159 R160 S164	I158-M162 HydrophobicContact CG2-CE 4.1Å; I158-M162 HydrophobicContact CG2-CG 4.45Å; I158-M162 HydrophobicContact CG2-SD 4.36Å; I158-M162 WeakPolarHBondContact O-CG 3.43Å; I158-M162 PolarHBondContact O-N 2.67Å; R159-M162 PolarHBondContact O-N 2.91Å; R160-M162 VanDerWaalsContact C-N 3.31Å; R160-M162 PolarHBondContact O-N 2.83Å; M162-S164 VanDerWaalsContact C-N 3.25Å; M162-S164 PolarHBondContact O-N 3.28Å
163	G	73.1	Confident	64.6	Low	67 Å²	67	97.9 Å²	97.9	69%	0.691	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	12.7	176.2	0	0	0	0	0	115.3	R159 R160 A161 L165	R159-G163 PolarHBondContact O-N 3.3Å; R160-G163 PolarHBondContact O-N 3.41Å; A161-G163 PolarHBondContact O-N 2.87Å; G163-L165 PolarHBondContact O-N 3.39Å
164	S	64.9	Low	62.7	Low	58 Å²	58	100.2 Å²	100.2	41%	0.406	54%	0.536	S	S	.	.			trans	-74.5	113.8	175.7	-61.9	0	0	0	0	110.1	R159 M162 S166	R159-S164 PolarHBondContact O-N 3.47Å; R159-S164 VanDerWaalsContact O-N 3.16Å; M162-S164 VanDerWaalsContact C-N 3.25Å; M162-S164 PolarHBondContact O-N 3.28Å; S164-S166 PolarHBondContact O-N 2.89Å
165	L	53.3	Low	60.5	Low	182 Å²	182	103.5 Å²	103.5	95%	0.953	56%	0.555	S	S	*	*	S	Bend	trans	-74.8	66	-179.9	-164.6	78.6	0	0	0	111.6	G163	G163-L165 PolarHBondContact O-N 3.39Å
166	S	53.1	Low	59.5	Low	68 Å²	68	100.2 Å²	100.2	48%	0.476	55%	0.551	S	S	.	*			trans	-168.9	109.2	152.8	49.4	0	0	0	0	109.6	S164 S168	S164-S166 PolarHBondContact O-N 2.89Å; S166-S168 PolarHBondContact O-N 3.02Å
167	L	51.5	Low	58.5	Low	66 Å²	66	105.1 Å²	105.1	35%	0.346	58%	0.577	S	S	.	*			trans	-80.8	90.7	162.1	-80.6	100.8	0	0	0	107.6	Y152 A156 R160	Y152-L167 HydrophobicContact CD1-CD2 3.25Å; Y152-L167 HydrophobicContact CD1-CG 4.49Å; Y152-L167 HydrophobicContact CD2-CD2 4.28Å; Y152-L167 HydrophobicContact CE1-CB 4.2Å; Y152-L167 HydrophobicContact CE1-CD2 3.24Å; Y152-L167 HydrophobicContact CE1-CG 4.33Å; Y152-L167 HydrophobicContact CE2-CD2 4.28Å; Y152-L167 HydrophobicContact CG-CD2 3.78Å; A156-L167 HydrophobicContact CB-CD2 4.43Å; R160-L167 HydrophobicContact CB-CD1 4.05Å; R160-L167 HydrophobicContact CB-CD2 4.3Å; R160-L167 HydrophobicContact CB-CG 4.35Å; R160-L167 HydrophobicContact CG-CD1 4.01Å
168	S	45.5	Very low	57.2	Low	76 Å²	76	101.3 Å²	101.3	53%	0.531	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-70.9	140.4	165.5	-49.4	0	0	0	0	109.5	S166	S166-S168 PolarHBondContact O-N 3.02Å
169	F	45.4	Very low	55.6	Low	179 Å²	179	101.3 Å²	101.3	79%	0.785	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-51.6	150.7	-173.6	-67.9	-85.7	0	0	0	114.1
170	N	41.7	Very low	54.2	Low	38 Å²	38	101.6 Å²	101.6	20%	0.203	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-77	121	180	-164.7	-4.9	0	0	0	110.4	N151 Y152 S153 N172	N151-N170 PolarHBondContact O-ND2 2.72Å; Y152-N170 VanDerWaalsContact C-ND2 3.29Å; S153-N170 WeakPolarHBondContact CA-ND2 3.11Å; S153-N170 WeakPolarHBondContact CB-OD1 3.48Å; S153-N170 VanDerWaalsContact N-CG 3.3Å; S153-N170 PolarHBondContact N-ND2 3.11Å; N170-N172 VanDerWaalsContact C-N 3.27Å; N170-N172 PolarHBondContact O-N 2.86Å; N170-N172 WeakPolarHBondContact OD1-CB 3.23Å; N170-N172 PolarHBondContact OD1-N 3.05Å; N170-N172 PolarHBondContact OD1-ND2 3.34Å; N170-N172 PolarHBondContact OD1-OD1 3.31Å
171	V	43.9	Very low	52.5	Low	117 Å²	117	97.1 Å²	97.1	71%	0.709	59%	0.586	S	S	*	*			trans	-83.4	6.9	178.3	-70.9	0	0	0	0	113.8	A173	V171-A173 PolarHBondContact O-N 3.4Å
172	N	39.5	Very low	50.4	Low	113 Å²	113	97.6 Å²	97.6	60%	0.604	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	19.6	-175.4	-68.3	-3.1	0	0	0	115	N170	N170-N172 VanDerWaalsContact C-N 3.27Å; N170-N172 PolarHBondContact O-N 2.86Å; N170-N172 WeakPolarHBondContact OD1-CB 3.23Å; N170-N172 PolarHBondContact OD1-N 3.05Å; N170-N172 PolarHBondContact OD1-ND2 3.34Å; N170-N172 PolarHBondContact OD1-OD1 3.31Å
173	A	37.8	Very low	47.7	Very low	46 Å²	46	94.9 Å²	94.9	38%	0.38	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111	8.3	-177.5	0	0	0	0	0	114.3	A146 V171	A146-A173 WeakPolarHBondContact O-CB 3.5Å; V171-A173 PolarHBondContact O-N 3.4Å
174	I	39.4	Very low	45.6	Very low	65 Å²	65	97.3 Å²	97.3	33%	0.333	56%	0.558	S	S	.	*			trans	-115	75	-178.9	-43.8	179.5	0	0	0	108.6	V126 L142	V126-I174 HydrophobicContact CG1-CG2 3.68Å; V126-I174 HydrophobicContact CG2-CD1 3.51Å; V126-I174 HydrophobicContact CG2-CG2 4.2Å; L142-I174 HydrophobicContact CD1-CG2 4.03Å
175	T	31.8	Very low	43.9	Very low	159 Å²	159	100.8 Å²	100.8	98%	0.975	57%	0.572	S	S	*	*			trans	-148	0	165.5	62.7	0	0	0	0	108.7

Retrieved 175 of 175 residues in 48.8 ms (Link to these results)

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