A0A096NHA8_PAPAN Loading...

PDZ domain containing 9

AlphaFold DB , UniProt , Accession A0A096NHA8, Species PAPAN (Papio anubis, Olive baboon), Gene PDZD9, Length 264 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	40	Very low	243 Å²	243	188.7 Å²	188.7	100%	1.197	91%	0.911	S	S	*	*				0	99.4	0	-91	142.9	66.6	0	0	109.5
2	Q	38.1	Very low	40	Very low	201 Å²	201	193.2 Å²	193.2	94%	0.939	91%	0.911	S	S	*	*	P	Polyproline II helix	trans	-74.9	137.3	175.4	-73	175	-8	0	0	109.9
3	K	40.5	Very low	39.8	Very low	213 Å²	213	183.8 Å²	183.8	93%	0.926	90%	0.897	S	S	*	*	P	Polyproline II helix	trans	-101.3	126	168.9	-78.2	-174.2	176.6	179.4	0	109.3
4	A	39.9	Very low	40.1	Very low	98 Å²	98	180.1 Å²	180.1	81%	0.81	89%	0.89	S	S	*	*	P	Polyproline II helix	trans	-71.3	139.2	-170.3	0	0	0	0	0	113.7
5	S	37.1	Very low	40	Very low	120 Å²	120	174.6 Å²	174.6	84%	0.839	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-75.8	120.8	170.9	-171.2	0	0	0	0	110
6	R	44	Very low	40.6	Very low	249 Å²	249	172.6 Å²	172.6	94%	0.94	87%	0.868	S	S	*	*			trans	-87.9	111.4	173.9	-74.3	-176.6	176.2	-177.5	-1.4	109.2
7	K	43.7	Very low	40.9	Very low	205 Å²	205	173.5 Å²	173.5	89%	0.891	86%	0.864	S	S	*	*			trans	-91.3	121.7	178.6	-150.9	171.7	-174.6	176.2	0	109.3
8	N	33.3	Very low	41.2	Very low	167 Å²	167	170.4 Å²	170.4	89%	0.893	86%	0.856	S	S	*	*			trans	-63	127.4	177.6	-94.9	-41.2	0	0	0	111.8
9	K	39.9	Very low	41.6	Very low	197 Å²	197	171.8 Å²	171.8	86%	0.857	86%	0.856	S	S	*	*			trans	-89.3	114.3	173.6	-170.3	174.4	-179.4	178.1	0	108.3	E11	K9-E11 PolarHBondContact O-N 3.18Å
10	K	40.5	Very low	41.7	Very low	200 Å²	200	169.1 Å²	169.1	87%	0.87	85%	0.849	S	S	*	*			trans	-81.5	101.1	-179.9	-146.1	174.8	-170.3	178.7	0	108.3	R12	K10-R12 PolarHBondContact O-N 2.69Å
11	E	39.4	Very low	42	Very low	183 Å²	183	166.6 Å²	166.6	86%	0.855	85%	0.848	S	S	*	*			trans	-66	117.8	171	-74.5	178.6	162	0	0	109.2	K9 G13	K9-E11 PolarHBondContact O-N 3.18Å; E11-G13 PolarHBondContact O-N 2.8Å
12	R	40.3	Very low	42.4	Very low	242 Å²	242	158.9 Å²	158.9	91%	0.913	81%	0.814	S	S	*	*			trans	-80.4	93.6	168.3	-72.4	-175.5	-178.9	179.2	0.6	107.1	K10 V14	K10-R12 PolarHBondContact O-N 2.69Å; R12-V14 PolarHBondContact O-N 2.91Å
13	G	36.8	Very low	42.9	Very low	71 Å²	71	157.3 Å²	157.3	73%	0.732	81%	0.807	S	S	*	*			trans	-57.6	120.3	167.5	0	0	0	0	0	109.7	E11 S15	E11-G13 PolarHBondContact O-N 2.8Å; G13-S15 PolarHBondContact O-N 3Å; G13-S15 VanDerWaalsContact O-N 3.08Å
14	V	43.9	Very low	43.6	Very low	132 Å²	132	152.6 Å²	152.6	80%	0.8	79%	0.791	S	S	*	*			trans	-65.5	105.7	166.2	173.6	0	0	0	0	106.3	R12 I16	R12-V14 PolarHBondContact O-N 2.91Å; V14-I16 PolarHBondContact O-N 2.89Å
15	S	38.7	Very low	44.8	Very low	98 Å²	98	156 Å²	156	69%	0.685	80%	0.795	S	S	*	*			trans	-63.3	99.8	170.3	168.4	0	0	0	0	107.9	G13 K17	G13-S15 PolarHBondContact O-N 3Å; G13-S15 VanDerWaalsContact O-N 3.08Å; S15-K17 PolarHBondContact O-N 3.27Å
16	I	49.6	Very low	46.8	Very low	143 Å²	143	151.9 Å²	151.9	73%	0.733	77%	0.766	S	S	*	*			trans	-65.8	94.2	163.1	-62.1	173	0	0	0	105	V14 V18	V14-I16 PolarHBondContact O-N 2.89Å; I16-V18 HydrophobicContact CG2-CG2 4.49Å; I16-V18 PolarHBondContact O-N 2.83Å
17	K	45.3	Very low	48.9	Very low	187 Å²	187	146.9 Å²	146.9	81%	0.813	75%	0.752	S	S	*	*			trans	-70.6	86.7	176.8	-145.5	179.3	-173.4	-175.5	0	106.8	S15 K19	S15-K17 PolarHBondContact O-N 3.27Å; K17-K19 PolarHBondContact O-N 3.26Å
18	V	46.9	Very low	51.3	Low	118 Å²	118	141 Å²	141	72%	0.715	73%	0.733	S	S	*	*			trans	-53.3	106.5	168.2	176.7	0	0	0	0	106.3	I16 T20	I16-V18 HydrophobicContact CG2-CG2 4.49Å; I16-V18 PolarHBondContact O-N 2.83Å; V18-T20 PolarHBondContact O-N 3.5Å
19	K	48.9	Very low	54.2	Low	198 Å²	198	135.4 Å²	135.4	86%	0.861	70%	0.701	S	S	*	*			trans	-65.3	107.7	173.4	-73.5	179.5	179.6	176.5	0	106.1	K17 S21	K17-K19 PolarHBondContact O-N 3.26Å; K19-S21 PolarHBondContact O-N 2.98Å
20	T	42.8	Very low	56.8	Low	116 Å²	116	130.8 Å²	130.8	71%	0.712	68%	0.683	S	S	*	*			trans	-54.6	121.1	169.6	39.7	0	0	0	0	108	V18 V22	V18-T20 PolarHBondContact O-N 3.5Å; T20-V22 PolarHBondContact O-N 3.26Å
21	S	48.3	Very low	59.5	Low	118 Å²	118	121.5 Å²	121.5	83%	0.825	64%	0.643	S	S	*	*			trans	-67.4	83.9	172	-176.9	0	0	0	0	108.1	K19 H23	K19-S21 PolarHBondContact O-N 2.98Å; S21-H23 PolarHBondContact O-N 3.27Å
22	V	52.6	Low	62.2	Low	80 Å²	80	119.5 Å²	119.5	49%	0.485	63%	0.631	S	S	.	*			trans	-77.9	114.4	164.2	-177.2	0	0	0	0	104.3	T20 N24	T20-V22 PolarHBondContact O-N 3.26Å; V22-N24 WeakPolarHBondContact CB-ND2 3.21Å; V22-N24 WeakPolarHBondContact CG1-OD1 3.49Å; V22-N24 PolarHBondContact O-N 2.81Å; V22-N24 PolarHBondContact O-ND2 2.95Å
23	H	48	Very low	64.8	Low	169 Å²	169	108.1 Å²	108.1	78%	0.782	59%	0.588	S	S	*	*			trans	-65	73.2	166.1	45.4	-85.1	0	0	0	107.6	S21 L25	S21-H23 PolarHBondContact O-N 3.27Å; H23-L25 PolarHBondContact O-N 2.56Å
24	N	55.8	Low	67.5	Low	113 Å²	113	108.5 Å²	108.5	60%	0.604	58%	0.577	S	S	*	*			trans	-67.3	107.6	175.4	-74.6	-67.2	0	0	0	106.1	V22 S26	V22-N24 WeakPolarHBondContact CB-ND2 3.21Å; V22-N24 WeakPolarHBondContact CG1-OD1 3.49Å; V22-N24 PolarHBondContact O-N 2.81Å; V22-N24 PolarHBondContact O-ND2 2.95Å; N24-S26 PolarHBondContact O-N 3.44Å
25	L	64.1	Low	69.9	Low	169 Å²	169	102.7 Å²	102.7	89%	0.885	54%	0.541	S	S	*	.			trans	-52.1	115.6	166.5	-66.7	165.9	0	0	0	106.9	H23 K27	H23-L25 PolarHBondContact O-N 2.56Å; L25-K27 PolarHBondContact O-N 3.19Å; L25-K27 VanDerWaalsContact O-N 3.15Å
26	S	79.6	Confident	72.4	Confident	35 Å²	35	99.3 Å²	99.3	25%	0.245	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-57.1	121.9	-178.7	53.7	0	0	0	0	109.5	N24 T28 R109	N24-S26 PolarHBondContact O-N 3.44Å; S26-T28 PolarHBondContact O-N 3.24Å; S26-R109 WeakPolarHBondContact CA-O 3.35Å; S26-R109 WeakPolarHBondContact CB-O 3.49Å
27	K	89.3	Confident	74.2	Confident	144 Å²	144	104.2 Å²	104.2	63%	0.626	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.7	-179.6	-176.8	176.5	-179.2	178.8	0	108.7	L25 R109	L25-K27 PolarHBondContact O-N 3.19Å; L25-K27 VanDerWaalsContact O-N 3.15Å; K27-R109 HydrophobicContact CB-CB 4.32Å; K27-R109 PolarHBondContact N-O 2.76Å; K27-R109 WeakPolarHBondContact O-CB 3.34Å; K27-R109 PolarHBondContact O-N 3.13Å
28	T	93.6	Very high	76.1	Confident	81 Å²	81	100.7 Å²	100.7	50%	0.497	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.1	173.1	-55.9	0	0	0	0	109.3	S26 I75 V107 Y108	S26-T28 PolarHBondContact O-N 3.24Å; T28-I75 HydrophobicContact CG2-CD1 4.03Å; T28-V107 WeakPolarHBondContact CA-O 3.4Å; T28-Y108 WeakPolarHBondContact OG1-CE1 3.33Å
29	Q	94.1	Very high	78.2	Confident	49 Å²	49	96.4 Å²	96.4	23%	0.229	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	150.3	172.1	-55.3	-162.9	31.2	0	0	110.4	K67 K106 V107 R109	Q29-K67 PolarHBondContact OE1-O 3.13Å; Q29-K106 CarbonylContact O-C 3.6Å; Q29-K106 WeakPolarHBondContact O-CA 2.72Å; Q29-V107 HydrophobicContact CB-CG2 3.8Å; Q29-V107 PolarHBondContact N-O 2.77Å; Q29-V107 PolarHBondContact O-N 2.82Å; Q29-R109 HydrophobicContact CG-CB 4.39Å; Q29-R109 VanDerWaalsContact NE2-NE 3.13Å
30	Q	95.1	Very high	80.2	Confident	101 Å²	101	87.4 Å²	87.4	47%	0.472	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.9	-177.4	-178.1	171.8	-8.7	0	0	109.8	Q104 I105 K106	Q30-Q104 HydrophobicContact CG-CG 4.11Å; Q30-I105 CarbonylContact C-O 3.58Å; Q30-I105 WeakPolarHBondContact CA-O 3.41Å; Q30-K106 HydrophobicContact CB-CG 4.12Å; Q30-K106 VanDerWaalsContact CD-CE 3.43Å; Q30-K106 HydrophobicContact CG-CG 3.8Å
31	T	95.5	Very high	82.6	Confident	5 Å²	5	82 Å²	82	3%	0.031	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	167.7	176.9	-167.8	0	0	0	0	111.9	L33 D65 K67 L68 Q104 I105	T31-L33 HydrophobicContact CG2-CD2 4.08Å; T31-L33 HydrophobicContact CG2-CG 4.08Å; T31-D65 WeakPolarHBondContact CB-OD2 3.34Å; T31-D65 PolarHBondContact OG1-OD1 3.36Å; T31-D65 PolarHBondContact OG1-OD2 3.43Å; T31-K67 PolarHBondContact OG1-NZ 3.39Å; T31-L68 HydrophobicContact CG2-CD1 4.25Å; T31-L68 HydrophobicContact CG2-CD2 3.94Å; T31-L68 HydrophobicContact CG2-CG 3.93Å; T31-Q104 CarbonylContact O-C 3.55Å; T31-Q104 WeakPolarHBondContact O-CA 2.85Å; T31-I105 HydrophobicContact CG2-CB 4.05Å; T31-I105 HydrophobicContact CG2-CG1 4.49Å; T31-I105 PolarHBondContact N-O 3.05Å; T31-I105 PolarHBondContact O-N 3.23Å
32	K	96.1	Very high	84.8	Confident	141 Å²	141	77.6 Å²	77.6	61%	0.613	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.3	173.4	-65.2	-178.6	-178.3	179.9	0	107.8	V102 L103	K32-V102 HydrophobicContact CB-CG1 4.15Å; K32-L103 CarbonylContact C-O 3.54Å; K32-L103 WeakPolarHBondContact CA-O 3.5Å
33	L	95.1	Very high	86.6	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.01	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.4	178.5	-61.3	-172.9	0	0	0	110.2	T31 L40 A62 D65 L68 V102 L103 I105	T31-L33 HydrophobicContact CG2-CD2 4.08Å; T31-L33 HydrophobicContact CG2-CG 4.08Å; L33-L40 HydrophobicContact CB-CD2 4.18Å; L33-L40 HydrophobicContact CD1-CD2 4.34Å; L33-A62 HydrophobicContact CD1-CB 3.85Å; L33-D65 HydrophobicContact CD2-CB 3.43Å; L33-D65 VanDerWaalsContact CD2-CB 3.43Å; L33-L68 HydrophobicContact CD1-CD1 3.8Å; L33-V102 WeakPolarHBondContact O-CA 3.36Å; L33-L103 PolarHBondContact N-O 2.82Å; L33-L103 PolarHBondContact O-N 3.19Å; L33-I105 HydrophobicContact CB-CG1 4.37Å; L33-I105 HydrophobicContact CD1-CG1 3.81Å; L33-I105 HydrophobicContact CG-CG1 3.92Å
34	T	95.1	Very high	88.8	Confident	80 Å²	80	69.4 Å²	69.4	49%	0.491	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124	168.8	-51.8	0	0	0	0	109	G36 A61 T101 V102	T34-G36 PolarHBondContact O-N 3.45Å; T34-A61 WeakPolarHBondContact O-CB 3.24Å; T34-T101 WeakPolarHBondContact CA-O 3.25Å; T34-V102 HydrophobicContact CG2-CG2 4.44Å
35	V	94.1	Very high	90.6	Very high	9 Å²	9	64.4 Å²	64.4	6%	0.055	33%	0.328	C	S	.	.			trans	-67.1	117.8	-178.6	-178.9	0	0	0	0	109.2	L40 I97 G100 T101 L103	V35-L40 HydrophobicContact CG2-CD2 3.85Å; V35-I97 HydrophobicContact CB-CG2 4.35Å; V35-I97 HydrophobicContact CG1-CG2 4.22Å; V35-I97 HydrophobicContact CG2-CG2 3.56Å; V35-G100 PolarHBondContact O-N 3.13Å; V35-T101 WeakPolarHBondContact CG2-O 3.19Å; V35-T101 PolarHBondContact N-O 2.89Å; V35-L103 HydrophobicContact CG2-CD1 3.74Å; V35-L103 HydrophobicContact CG2-CG 4.09Å
36	G	90.2	Very high	92	Very high	28 Å²	28	60.7 Å²	60.7	29%	0.289	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-90.7	-173.4	179.3	0	0	0	0	0	112.8	T34 L38 G39	T34-G36 PolarHBondContact O-N 3.45Å; G36-L38 PolarHBondContact O-N 3.42Å; G36-G39 PolarHBondContact N-O 3.29Å; G36-G39 PolarHBondContact O-N 3.43Å
37	R	87.8	Confident	92.5	Very high	246 Å²	246	62.3 Å²	62.3	93%	0.928	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.9	174	-64.3	179.3	-176	-99.8	0.9	112.9	G39	R37-G39 VanDerWaalsContact C-N 3.3Å
38	L	85.3	Confident	92.6	Very high	112 Å²	112	57.9 Å²	57.9	59%	0.586	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	19.6	175.2	-58.6	173.9	0	0	0	112.1	G36 G41 I57	G36-L38 PolarHBondContact O-N 3.42Å; L38-G41 PolarHBondContact O-N 3.42Å; L38-I57 HydrophobicContact CD1-CG2 4.31Å
39	G	90.6	Very high	92.5	Very high	28 Å²	28	57.3 Å²	57.3	29%	0.289	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	68.1	-138.3	-173.7	0	0	0	0	0	112.5	G36 R37 G41	G36-G39 PolarHBondContact N-O 3.29Å; G36-G39 PolarHBondContact O-N 3.43Å; R37-G39 VanDerWaalsContact C-N 3.3Å; G39-G41 VanDerWaalsContact C-N 3.32Å
40	L	92.3	Very high	92.5	Very high	10 Å²	10	58 Å²	58	5%	0.052	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.1	178	-65.7	176.4	0	0	0	113.3	L33 V35 L42 A62 V77 L94 L103 I105	L33-L40 HydrophobicContact CB-CD2 4.18Å; L33-L40 HydrophobicContact CD1-CD2 4.34Å; V35-L40 HydrophobicContact CG2-CD2 3.85Å; L40-L42 HydrophobicContact CB-CD1 4.07Å; L40-L42 HydrophobicContact CB-CG 4.12Å; L40-L42 HydrophobicContact CD1-CD1 4.32Å; L40-A62 WeakPolarHBondContact O-CB 3.47Å; L40-A62 PolarHBondContact O-N 2.86Å; L40-V77 HydrophobicContact CD1-CG1 4.27Å; L40-L94 HydrophobicContact CD1-CD2 3.61Å; L40-L94 HydrophobicContact CG-CD2 4.32Å; L40-L103 HydrophobicContact CD2-CD1 4.23Å; L40-I105 HydrophobicContact CD1-CD1 4.13Å; L40-I105 HydrophobicContact CD2-CD1 4.49Å
41	G	92.7	Very high	92.6	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.021	28%	0.281	C	S	.	.			trans	72.6	37.4	-178.1	0	0	0	0	0	113.7	L38 G39 L56 I57	L38-G41 PolarHBondContact O-N 3.42Å; G39-G41 VanDerWaalsContact C-N 3.32Å; G41-L56 WeakPolarHBondContact O-CA 3.11Å; G41-I57 PolarHBondContact O-N 3.16Å
42	L	93.3	Very high	92.5	Very high	25 Å²	25	53 Å²	53	13%	0.131	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.7	-178.3	-62.2	174.3	0	0	0	110.1	L40 I44 I53 L56 A62 L68	L40-L42 HydrophobicContact CB-CD1 4.07Å; L40-L42 HydrophobicContact CB-CG 4.12Å; L40-L42 HydrophobicContact CD1-CD1 4.32Å; L42-I44 HydrophobicContact CB-CD1 3.88Å; L42-I44 HydrophobicContact CB-CG1 4.08Å; L42-I44 HydrophobicContact CD1-CD1 4.23Å; L42-I53 HydrophobicContact CD1-CD1 4.28Å; L42-I53 HydrophobicContact CD2-CD1 3.98Å; L42-I53 HydrophobicContact CD2-CG1 4.43Å; L42-I53 HydrophobicContact CD2-CG2 4.24Å; L42-L56 HydrophobicContact CD2-CD2 3.38Å; L42-A62 HydrophobicContact CD2-CB 3.28Å; L42-A62 HydrophobicContact CG-CB 3.95Å; L42-L68 HydrophobicContact CD1-CD1 4.43Å; L42-L68 HydrophobicContact CD2-CD1 4.08Å
43	I	91.9	Very high	92.4	Very high	51 Å²	51	46.3 Å²	46.3	26%	0.262	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.8	165.3	-49.6	-172.8	0	0	0	106.5	I53 T54 H55 I57 I125	I43-I53 CarbonylContact O-C 3.45Å; I43-I53 WeakPolarHBondContact O-CA 3.48Å; I43-T54 WeakPolarHBondContact CG2-OG1 3.37Å; I43-T54 PolarHBondContact O-N 3.38Å; I43-T54 PolarHBondContact O-OG1 3.04Å; I43-H55 HydrophobicContact CB-CB 3.91Å; I43-H55 HydrophobicContact CD1-CB 3.92Å; I43-H55 HydrophobicContact CG1-CB 4Å; I43-H55 PolarHBondContact N-O 3.46Å; I43-H55 PolarHBondContact O-N 3.29Å; I43-I57 HydrophobicContact CD1-CG1 4.35Å; I43-I57 HydrophobicContact CG1-CD1 4.48Å; I43-I57 HydrophobicContact CG1-CG1 4Å; I43-I125 HydrophobicContact CD1-CD1 3.87Å; I43-I125 HydrophobicContact CD1-CG2 4.42Å
44	I	93.7	Very high	92.3	Very high	26 Å²	26	46.3 Å²	46.3	13%	0.133	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.5	-169.3	-64.2	155.8	0	0	0	108.6	L42 L51 Q52 I53 L74 L87 F90	L42-I44 HydrophobicContact CB-CD1 3.88Å; L42-I44 HydrophobicContact CB-CG1 4.08Å; L42-I44 HydrophobicContact CD1-CD1 4.23Å; I44-L51 HydrophobicContact CG2-CB 3.87Å; I44-L51 HydrophobicContact CG2-CD2 4.27Å; I44-Q52 CarbonylContact C-O 3.59Å; I44-Q52 VanDerWaalsContact CA-O 3.25Å; I44-Q52 WeakPolarHBondContact CA-O 3.33Å; I44-Q52 WeakPolarHBondContact CG2-O 3.39Å; I44-I53 HydrophobicContact CG1-CG1 4.15Å; I44-L74 HydrophobicContact CD1-CD1 3.56Å; I44-L74 HydrophobicContact CG1-CD1 4.14Å; I44-L74 HydrophobicContact CG2-CD1 4.39Å; I44-L87 HydrophobicContact CG2-CD1 4.44Å; I44-F90 HydrophobicContact CD1-CD1 4.27Å; I44-F90 HydrophobicContact CD1-CE1 3.34Å; I44-F90 HydrophobicContact CD1-CZ 3.78Å
45	I	92.7	Very high	92.1	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156.5	171.2	66	175	0	0	0	109.8	Q52 T54 W118	I45-Q52 HydrophobicContact CG1-CB 4.14Å; I45-Q52 PolarHBondContact N-O 3.06Å; I45-Q52 PolarHBondContact O-N 2.89Å; I45-T54 HydrophobicContact CB-CG2 4.09Å; I45-T54 HydrophobicContact CD1-CG2 3.59Å; I45-T54 HydrophobicContact CG1-CG2 3.64Å; I45-T54 HydrophobicContact CG2-CG2 3.44Å; I45-T54 VanDerWaalsContact CG2-CG2 3.44Å; I45-W118 HydrophobicContact CB-CZ2 4.41Å; I45-W118 HydrophobicContact CD1-CB 4.49Å; I45-W118 HydrophobicContact CD1-CD2 4.13Å; I45-W118 HydrophobicContact CD1-CG 3.84Å; I45-W118 HydrophobicContact CG2-CD2 3.71Å; I45-W118 HydrophobicContact CG2-CE3 3.61Å; I45-W118 HydrophobicContact CG2-CG 4.47Å; I45-W118 HydrophobicContact CG2-CH2 3.73Å; I45-W118 HydrophobicContact CG2-CZ2 3.82Å; I45-W118 HydrophobicContact CG2-CZ3 3.63Å
46	Q	93.6	Very high	92	Very high	92 Å²	92	45.8 Å²	45.8	43%	0.43	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.9	169.6	-173.4	171.6	-17.2	0	0	109.2	G48 L51 L87	Q46-G48 WeakPolarHBondContact CG-O 3.35Å; Q46-G48 PolarHBondContact NE2-O 2.99Å; Q46-L51 HydrophobicContact CB-CD2 4.4Å; Q46-L87 HydrophobicContact CB-CB 4.28Å
47	H	90.9	Very high	92	Very high	69 Å²	69	46.1 Å²	46.1	32%	0.319	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	90.4	176.8	-171.8	-92.7	0	0	0	109.5	Y50 P115	H47-Y50 PolarHBondContact N-O 2.87Å; H47-Y50 PolarHBondContact O-N 3.48Å; H47-P115 WeakPolarHBondContact CD2-CG 3.32Å
48	G	90.8	Very high	92	Very high	51 Å²	51	42.3 Å²	42.3	53%	0.526	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	-125.7	-170.9	0	0	0	0	0	111.3	Q46 Y50	Q46-G48 WeakPolarHBondContact CG-O 3.35Å; Q46-G48 PolarHBondContact NE2-O 2.99Å; G48-Y50 PolarHBondContact O-N 2.95Å
49	P	92.1	Very high	92.2	Very high	69 Å²	69	45.3 Å²	45.3	45%	0.448	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	4.2	177	36.3	-35.6	0	0	0	113.3	G84	P49-G84 WeakPolarHBondContact O-CA 3.48Å; P49-G84 PolarHBondContact O-N 3.05Å
50	Y	94.8	Very high	92.2	Very high	63 Å²	63	44.1 Å²	44.1	25%	0.247	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.1	-173.2	-53.9	-69	0	0	0	111.6	H47 G48 V73 L83 F111 I112	H47-Y50 PolarHBondContact N-O 2.87Å; H47-Y50 PolarHBondContact O-N 3.48Å; G48-Y50 PolarHBondContact O-N 2.95Å; Y50-V73 HydrophobicContact CD1-CG1 4.13Å; Y50-V73 HydrophobicContact CG-CG1 4.23Å; Y50-L83 HydrophobicContact CD1-CD1 4.05Å; Y50-L83 HydrophobicContact CD1-CG 4.36Å; Y50-L83 HydrophobicContact CE1-CD1 4.01Å; Y50-L83 HydrophobicContact CE1-CG 4.25Å; Y50-F111 HydrophobicContact CD1-CE1 4.34Å; Y50-F111 HydrophobicContact CD2-CE1 4.34Å; Y50-F111 AromaticContact CE1-CE1 3.94Å; Y50-F111 HydrophobicContact CE1-CE1 3.94Å; Y50-F111 HydrophobicContact CE1-CZ 4.46Å; Y50-F111 AromaticContact CE2-CE1 3.93Å; Y50-F111 HydrophobicContact CE2-CE1 3.93Å; Y50-F111 AromaticContact CZ-CE1 3.71Å; Y50-I112 HydrophobicContact CD2-CD1 3.29Å; Y50-I112 HydrophobicContact CE2-CD1 3.72Å; Y50-I112 HydrophobicContact CG-CD1 3.97Å
51	L	95.5	Very high	92.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.9	172.1	-64.6	172.2	0	0	0	108.4	I44 Q46 L74 V82 L87 F90	I44-L51 HydrophobicContact CG2-CB 3.87Å; I44-L51 HydrophobicContact CG2-CD2 4.27Å; Q46-L51 HydrophobicContact CB-CD2 4.4Å; L51-L74 HydrophobicContact CB-CB 4.3Å; L51-L74 HydrophobicContact CB-CD1 4.14Å; L51-L74 PolarHBondContact O-N 3.34Å; L51-V82 HydrophobicContact CD1-CB 4.49Å; L51-L87 HydrophobicContact CD2-CB 4.39Å; L51-L87 HydrophobicContact CD2-CD1 4.3Å; L51-F90 HydrophobicContact CD1-CB 3.5Å; L51-F90 HydrophobicContact CD1-CD1 4.29Å; L51-F90 HydrophobicContact CD1-CD2 3.7Å; L51-F90 HydrophobicContact CD1-CG 3.56Å
52	Q	95	Very high	92.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.9	-174.8	-170.8	172.8	19.2	0	0	110.7	I44 I45 T54 G71 D72 V73 I112	I44-Q52 CarbonylContact C-O 3.59Å; I44-Q52 VanDerWaalsContact CA-O 3.25Å; I44-Q52 WeakPolarHBondContact CA-O 3.33Å; I44-Q52 WeakPolarHBondContact CG2-O 3.39Å; I45-Q52 HydrophobicContact CG1-CB 4.14Å; I45-Q52 PolarHBondContact N-O 3.06Å; I45-Q52 PolarHBondContact O-N 2.89Å; Q52-T54 PolarHBondContact O-N 2.85Å; Q52-G71 PolarHBondContact NE2-O 3.12Å; Q52-D72 CarbonylContact C-O 3.6Å; Q52-D72 WeakPolarHBondContact CA-O 3.32Å; Q52-V73 HydrophobicContact CB-CG2 4.46Å; Q52-V73 HydrophobicContact CG-CG2 4.27Å; Q52-I112 PolarHBondContact NE2-O 2.85Å
53	I	94.3	Very high	92.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	119.2	175.1	-62.3	171.6	0	0	0	107.9	L42 I43 I44 L56 L68 P70 G71 D72 L74 V107	L42-I53 HydrophobicContact CD1-CD1 4.28Å; L42-I53 HydrophobicContact CD2-CD1 3.98Å; L42-I53 HydrophobicContact CD2-CG1 4.43Å; L42-I53 HydrophobicContact CD2-CG2 4.24Å; I43-I53 CarbonylContact O-C 3.45Å; I43-I53 WeakPolarHBondContact O-CA 3.48Å; I44-I53 HydrophobicContact CG1-CG1 4.15Å; I53-L56 HydrophobicContact CG2-CD2 3.9Å; I53-L68 HydrophobicContact CD1-CB 4.5Å; I53-L68 HydrophobicContact CD1-CD1 4.24Å; I53-P70 CarbonylContact O-C 3.54Å; I53-P70 WeakPolarHBondContact O-CA 3.44Å; I53-G71 PolarHBondContact O-N 3.47Å; I53-D72 HydrophobicContact CB-CB 4.38Å; I53-D72 HydrophobicContact CD1-CB 3.93Å; I53-D72 HydrophobicContact CG1-CB 4.44Å; I53-D72 PolarHBondContact N-O 3.31Å; I53-L74 HydrophobicContact CD1-CD2 4.26Å; I53-L74 HydrophobicContact CD1-CG 4.46Å; I53-L74 HydrophobicContact CG1-CG 4.37Å; I53-V107 HydrophobicContact CD1-CG1 4.49Å
54	T	92.2	Very high	92.2	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-36.7	170.1	49.9	0	0	0	0	111	I43 I45 Q52 P70 I114 W118	I43-T54 WeakPolarHBondContact CG2-OG1 3.37Å; I43-T54 PolarHBondContact O-N 3.38Å; I43-T54 PolarHBondContact O-OG1 3.04Å; I45-T54 HydrophobicContact CB-CG2 4.09Å; I45-T54 HydrophobicContact CD1-CG2 3.59Å; I45-T54 HydrophobicContact CG1-CG2 3.64Å; I45-T54 HydrophobicContact CG2-CG2 3.44Å; I45-T54 VanDerWaalsContact CG2-CG2 3.44Å; Q52-T54 PolarHBondContact O-N 2.85Å; T54-P70 WeakPolarHBondContact O-CB 3.36Å; T54-P70 WeakPolarHBondContact O-CG 3.34Å; T54-I114 HydrophobicContact CG2-CG2 4.47Å; T54-W118 HydrophobicContact CG2-CB 4.46Å
55	H	89.9	Confident	92.2	Very high	35 Å²	35	49.1 Å²	49.1	16%	0.162	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	166	-178.7	-60.9	-67.4	0	0	0	115	I43 Y122 I125	I43-H55 HydrophobicContact CB-CB 3.91Å; I43-H55 HydrophobicContact CD1-CB 3.92Å; I43-H55 HydrophobicContact CG1-CB 4Å; I43-H55 PolarHBondContact N-O 3.46Å; I43-H55 PolarHBondContact O-N 3.29Å; H55-Y122 AromaticContact CD2-CD1 3.93Å; H55-Y122 AromaticContact CD2-CE1 3.74Å; H55-Y122 AromaticContact CE1-CD1 2.92Å; H55-Y122 WeakPolarHBondContact CE1-CD1 3.05Å; H55-Y122 AromaticContact CE1-CD2 3.77Å; H55-Y122 AromaticContact CE1-CE1 2.89Å; H55-Y122 WeakPolarHBondContact CE1-CE1 3.2Å; H55-Y122 AromaticContact CE1-CE2 3.8Å; H55-Y122 AromaticContact CE1-CG 3.31Å; H55-Y122 AromaticContact CE1-CZ 3.35Å; H55-Y122 AromaticContact ND1-CE1 3.82Å; H55-Y122 AromaticContact NE2-CD1 2.72Å; H55-Y122 WeakPolarHBondContact NE2-CD1 3.37Å; H55-Y122 AromaticContact NE2-CE1 2.85Å; H55-Y122 WeakPolarHBondContact NE2-CE1 3.4Å; H55-Y122 AromaticContact NE2-CG 3.52Å; H55-Y122 AromaticContact NE2-CZ 3.79Å; H55-I125 WeakPolarHBondContact CD2-CD1 3.39Å; H55-I125 WeakPolarHBondContact NE2-CD1 3.33Å
56	L	92.4	Very high	92.2	Very high	43 Å²	43	51 Å²	51	23%	0.225	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.8	169.3	-46.4	177.7	0	0	0	108.6	G41 L42 I53 R58 A62 A63 L68	G41-L56 WeakPolarHBondContact O-CA 3.11Å; L42-L56 HydrophobicContact CD2-CD2 3.38Å; I53-L56 HydrophobicContact CG2-CD2 3.9Å; L56-R58 PolarHBondContact O-N 3.48Å; L56-A62 HydrophobicContact CD2-CB 3.99Å; L56-A63 HydrophobicContact CB-CB 4.09Å; L56-L68 VanDerWaalsContact CD1-O 3.28Å; L56-L68 WeakPolarHBondContact CD1-O 3.35Å; L56-L68 HydrophobicContact CD2-CB 4.27Å
57	I	90.9	Very high	92.2	Very high	34 Å²	34	51.6 Å²	51.6	17%	0.174	28%	0.277	C	S	.	.			trans	-70.4	128.9	175	-63.5	173.9	0	0	0	108.1	L38 G41 I43 K59 G60 A63	L38-I57 HydrophobicContact CD1-CG2 4.31Å; G41-I57 PolarHBondContact O-N 3.16Å; I43-I57 HydrophobicContact CD1-CG1 4.35Å; I43-I57 HydrophobicContact CG1-CD1 4.48Å; I43-I57 HydrophobicContact CG1-CG1 4Å; I57-K59 PolarHBondContact O-N 2.92Å; I57-G60 WeakPolarHBondContact O-CA 3.48Å; I57-G60 PolarHBondContact O-N 3.5Å; I57-A63 VanDerWaalsContact O-CB 3.24Å; I57-A63 WeakPolarHBondContact O-CB 3.42Å
58	R	88.4	Confident	92.4	Very high	166 Å²	166	48.5 Å²	48.5	63%	0.626	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	136.9	178.6	-65.5	-174.3	-177.4	-174.1	4.3	110.2	L56 G60 A128	L56-R58 PolarHBondContact O-N 3.48Å; R58-G60 PolarHBondContact O-N 2.97Å; R58-G60 VanDerWaalsContact O-N 3.13Å; R58-A128 PolarHBondContact NE-O 3.08Å; R58-A128 PolarHBondContact NH1-O 3.46Å; R58-A128 PolarHBondContact NH2-O 3.18Å
59	K	88.3	Confident	92.5	Very high	176 Å²	176	51 Å²	51	77%	0.765	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	7.2	-173.6	-50.6	178.1	177.9	178.8	0	114.5	I57 N64	I57-K59 PolarHBondContact O-N 2.92Å; K59-N64 PolarHBondContact O-ND2 3.27Å
60	G	90	Very high	92.5	Very high	3 Å²	3	50.6 Å²	50.6	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	-75.5	166.2	172.9	0	0	0	0	0	112.4	I57 R58 A62 A63 N64	I57-G60 WeakPolarHBondContact O-CA 3.48Å; I57-G60 PolarHBondContact O-N 3.5Å; R58-G60 PolarHBondContact O-N 2.97Å; R58-G60 VanDerWaalsContact O-N 3.13Å; G60-A62 PolarHBondContact O-N 3.02Å; G60-A63 PolarHBondContact O-N 2.92Å; G60-N64 PolarHBondContact O-N 3.25Å; G60-N64 PolarHBondContact O-ND2 2.99Å; G60-N64 PolarHBondContact O-OD1 3.46Å
61	A	92.9	Very high	92.3	Very high	17 Å²	17	48.1 Å²	48.1	14%	0.14	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-45	-176.5	0	0	0	0	0	112.7	T34 N64 D65	T34-A61 WeakPolarHBondContact O-CB 3.24Å; A61-N64 PolarHBondContact O-N 3.38Å; A61-D65 PolarHBondContact O-N 3.27Å
62	A	94.1	Very high	92.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-39.3	178	0	0	0	0	0	113.5	L33 L40 L42 L56 G60 N64 D65 G66 L68	L33-A62 HydrophobicContact CD1-CB 3.85Å; L40-A62 WeakPolarHBondContact O-CB 3.47Å; L40-A62 PolarHBondContact O-N 2.86Å; L42-A62 HydrophobicContact CD2-CB 3.28Å; L42-A62 HydrophobicContact CG-CB 3.95Å; L56-A62 HydrophobicContact CD2-CB 3.99Å; G60-A62 PolarHBondContact O-N 3.02Å; A62-N64 VanDerWaalsContact C-N 3.32Å; A62-N64 PolarHBondContact O-N 3.25Å; A62-D65 PolarHBondContact O-N 2.95Å; A62-G66 PolarHBondContact O-N 3.45Å; A62-G66 VanDerWaalsContact O-N 3.08Å; A62-L68 HydrophobicContact CB-CD1 4.14Å
63	A	92.6	Very high	92.4	Very high	36 Å²	36	48 Å²	48	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-66.4	-35.6	177.1	0	0	0	0	0	112	L56 I57 G60 G66	L56-A63 HydrophobicContact CB-CB 4.09Å; I57-A63 VanDerWaalsContact O-CB 3.24Å; I57-A63 WeakPolarHBondContact O-CB 3.42Å; G60-A63 PolarHBondContact O-N 2.92Å; A63-G66 PolarHBondContact O-N 3.48Å
64	N	91.9	Very high	92.4	Very high	120 Å²	120	48.1 Å²	48.1	64%	0.642	25%	0.252	S	S	*	.	H	α-helix	trans	-72.2	-33.7	179	-64.9	-15.4	0	0	0	112.7	K59 G60 A61 A62	K59-N64 PolarHBondContact O-ND2 3.27Å; G60-N64 PolarHBondContact O-N 3.25Å; G60-N64 PolarHBondContact O-ND2 2.99Å; G60-N64 PolarHBondContact O-OD1 3.46Å; A61-N64 PolarHBondContact O-N 3.38Å; A62-N64 VanDerWaalsContact C-N 3.32Å; A62-N64 PolarHBondContact O-N 3.25Å
65	D	92.8	Very high	92.6	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-74.8	-31.7	173.9	176.7	71.5	0	0	0	112.2	T31 L33 A61 A62 K67	T31-D65 WeakPolarHBondContact CB-OD2 3.34Å; T31-D65 PolarHBondContact OG1-OD1 3.36Å; T31-D65 PolarHBondContact OG1-OD2 3.43Å; L33-D65 HydrophobicContact CD2-CB 3.43Å; L33-D65 VanDerWaalsContact CD2-CB 3.43Å; A61-D65 PolarHBondContact O-N 3.27Å; A62-D65 PolarHBondContact O-N 2.95Å; D65-K67 PolarHBondContact O-N 3.03Å; D65-K67 WeakPolarHBondContact OD1-CE 3.45Å; D65-K67 IonicContact OD1-NZ 3.83Å; D65-K67 PolarHBondContact OD1-NZ 2.92Å; D65-K67 WeakPolarHBondContact OD2-CB 3.31Å; D65-K67 WeakPolarHBondContact OD2-CG 3.43Å; D65-K67 IonicContact OD2-NZ 2.76Å
66	G	91.9	Very high	92.9	Very high	47 Å²	47	48.1 Å²	48.1	49%	0.485	25%	0.254	S	S	.	.			trans	70.1	1.5	169.8	0	0	0	0	0	116	A62 A63	A62-G66 PolarHBondContact O-N 3.45Å; A62-G66 VanDerWaalsContact O-N 3.08Å; A63-G66 PolarHBondContact O-N 3.48Å
67	K	93.9	Very high	93	Very high	106 Å²	106	46.3 Å²	46.3	46%	0.461	24%	0.244	S	C	.	.			trans	-86	-32.4	179.1	-60.2	179.1	-165	126.7	0	113	Q29 T31 D65 R109	Q29-K67 PolarHBondContact OE1-O 3.13Å; T31-K67 PolarHBondContact OG1-NZ 3.39Å; D65-K67 PolarHBondContact O-N 3.03Å; D65-K67 WeakPolarHBondContact OD1-CE 3.45Å; D65-K67 IonicContact OD1-NZ 3.83Å; D65-K67 PolarHBondContact OD1-NZ 2.92Å; D65-K67 WeakPolarHBondContact OD2-CB 3.31Å; D65-K67 WeakPolarHBondContact OD2-CG 3.43Å; D65-K67 IonicContact OD2-NZ 2.76Å; K67-R109 PolarHBondContact O-NH2 2.84Å
68	L	94.8	Very high	93.2	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	24%	0.242	C	C	.	.			trans	-77	147.2	172.5	-59.1	-177.4	0	0	0	109.1	T31 L33 L42 I53 L56 A62 D72 I105 V107	T31-L68 HydrophobicContact CG2-CD1 4.25Å; T31-L68 HydrophobicContact CG2-CD2 3.94Å; T31-L68 HydrophobicContact CG2-CG 3.93Å; L33-L68 HydrophobicContact CD1-CD1 3.8Å; L42-L68 HydrophobicContact CD1-CD1 4.43Å; L42-L68 HydrophobicContact CD2-CD1 4.08Å; I53-L68 HydrophobicContact CD1-CB 4.5Å; I53-L68 HydrophobicContact CD1-CD1 4.24Å; L56-L68 VanDerWaalsContact CD1-O 3.28Å; L56-L68 WeakPolarHBondContact CD1-O 3.35Å; L56-L68 HydrophobicContact CD2-CB 4.27Å; A62-L68 HydrophobicContact CB-CD1 4.14Å; L68-D72 WeakPolarHBondContact CA-OD2 3.38Å; L68-I105 HydrophobicContact CD1-CG2 4.22Å; L68-I105 HydrophobicContact CD2-CG2 4.41Å; L68-V107 HydrophobicContact CD2-CG1 3.81Å; L68-V107 HydrophobicContact CD2-CG2 3.86Å
69	Q	93.1	Very high	93.3	Very high	103 Å²	103	49 Å²	49	48%	0.481	26%	0.258	S	S	.	.			trans	-144.1	158.5	174.4	-38.9	168.6	-39.2	0	0	110	G71 D72 R109	Q69-G71 PolarHBondContact O-N 3.45Å; Q69-D72 PolarHBondContact N-OD2 2.86Å; Q69-D72 WeakPolarHBondContact O-CB 3.41Å; Q69-D72 VanDerWaalsContact O-CG 3.29Å; Q69-D72 PolarHBondContact O-N 3.12Å; Q69-D72 VanDerWaalsContact O-OD2 3.05Å; Q69-R109 VanDerWaalsContact CB-NH1 3.32Å; Q69-R109 VanDerWaalsContact CG-NH2 3.32Å; Q69-R109 PolarHBondContact O-NH1 2.86Å; Q69-R109 VanDerWaalsContact OE1-CZ 3.25Å
70	P	92.2	Very high	93.6	Very high	60 Å²	60	41.6 Å²	41.6	39%	0.39	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	137.2	168.2	-32.1	39.8	0	0	0	112.6	I53 T54 I114	I53-P70 CarbonylContact O-C 3.54Å; I53-P70 WeakPolarHBondContact O-CA 3.44Å; T54-P70 WeakPolarHBondContact O-CB 3.36Å; T54-P70 WeakPolarHBondContact O-CG 3.34Å; P70-I114 HydrophobicContact CB-CD1 4.04Å
71	G	92.3	Very high	93.9	Very high	12 Å²	12	45.8 Å²	45.8	12%	0.124	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-15.4	-179.1	0	0	0	0	0	114.3	Q52 I53 Q69 I114	Q52-G71 PolarHBondContact NE2-O 3.12Å; I53-G71 PolarHBondContact O-N 3.47Å; Q69-G71 PolarHBondContact O-N 3.45Å; G71-I114 VanDerWaalsContact CA-CG1 3.49Å
72	D	95.3	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-62.4	135.6	176.4	-82.1	-30.1	0	0	0	112.3	Q52 I53 L68 Q69 V107 R109	Q52-D72 CarbonylContact C-O 3.6Å; Q52-D72 WeakPolarHBondContact CA-O 3.32Å; I53-D72 HydrophobicContact CB-CB 4.38Å; I53-D72 HydrophobicContact CD1-CB 3.93Å; I53-D72 HydrophobicContact CG1-CB 4.44Å; I53-D72 PolarHBondContact N-O 3.31Å; L68-D72 WeakPolarHBondContact CA-OD2 3.38Å; Q69-D72 PolarHBondContact N-OD2 2.86Å; Q69-D72 WeakPolarHBondContact O-CB 3.41Å; Q69-D72 VanDerWaalsContact O-CG 3.29Å; Q69-D72 PolarHBondContact O-N 3.12Å; Q69-D72 VanDerWaalsContact O-OD2 3.05Å; D72-V107 HydrophobicContact CB-CB 3.99Å; D72-V107 HydrophobicContact CB-CG1 4.2Å; D72-V107 HydrophobicContact CB-CG2 4.1Å; D72-R109 IonicContact OD1-CZ 2.67Å; D72-R109 IonicContact OD1-NE 3.28Å; D72-R109 PolarHBondContact OD1-NE 3.38Å; D72-R109 IonicContact OD1-NH1 3.21Å; D72-R109 PolarHBondContact OD1-NH1 3.43Å; D72-R109 IonicContact OD1-NH2 3.83Å; D72-R109 PolarHBondContact OD1-NH2 2.96Å; D72-R109 IonicContact OD2-CZ 2.77Å; D72-R109 IonicContact OD2-NH1 2.89Å; D72-R109 PolarHBondContact OD2-NH1 3.12Å; D72-R109 IonicContact OD2-NH2 3.04Å; D72-R109 PolarHBondContact OD2-NH2 3.08Å
73	V	95.4	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.5	174.2	174.4	0	0	0	0	109.8	Y50 Q52 I75 V107 Y108 F111 I112	Y50-V73 HydrophobicContact CD1-CG1 4.13Å; Y50-V73 HydrophobicContact CG-CG1 4.23Å; Q52-V73 HydrophobicContact CB-CG2 4.46Å; Q52-V73 HydrophobicContact CG-CG2 4.27Å; V73-I75 PolarHBondContact O-N 3.17Å; V73-V107 CarbonylContact O-C 3.58Å; V73-V107 WeakPolarHBondContact O-CA 2.92Å; V73-V107 VanDerWaalsContact O-CB 3.31Å; V73-V107 WeakPolarHBondContact O-CB 2.89Å; V73-Y108 PolarHBondContact N-O 2.91Å; V73-Y108 PolarHBondContact O-N 3.17Å; V73-F111 HydrophobicContact CG2-CB 4.45Å; V73-F111 HydrophobicContact CG2-CD1 4.2Å; V73-I112 HydrophobicContact CG2-CB 4.4Å
74	L	96.1	Very high	93.9	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129	179.9	-72.1	165.6	0	0	0	111.5	I44 L51 I53 V77 V82 F90 I105 V107	I44-L74 HydrophobicContact CD1-CD1 3.56Å; I44-L74 HydrophobicContact CG1-CD1 4.14Å; I44-L74 HydrophobicContact CG2-CD1 4.39Å; L51-L74 HydrophobicContact CB-CB 4.3Å; L51-L74 HydrophobicContact CB-CD1 4.14Å; L51-L74 PolarHBondContact O-N 3.34Å; I53-L74 HydrophobicContact CD1-CD2 4.26Å; I53-L74 HydrophobicContact CD1-CG 4.46Å; I53-L74 HydrophobicContact CG1-CG 4.37Å; L74-V77 HydrophobicContact CD2-CG2 4.21Å; L74-V82 HydrophobicContact CB-CG2 3.75Å; L74-F90 HydrophobicContact CD1-CE1 4.39Å; L74-F90 HydrophobicContact CD1-CE2 4.07Å; L74-F90 HydrophobicContact CD1-CZ 3.81Å; L74-I105 HydrophobicContact CD2-CG2 3.77Å; L74-V107 HydrophobicContact CD2-CG1 3.97Å
75	I	95.9	Very high	94.1	Very high	23 Å²	23	46.9 Å²	46.9	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-55.9	174.2	-53.2	169.1	0	0	0	109.1	T28 V73 N81 V82 L83 K106 V107 Y108	T28-I75 HydrophobicContact CG2-CD1 4.03Å; V73-I75 PolarHBondContact O-N 3.17Å; I75-N81 PolarHBondContact O-OD1 3.41Å; I75-V82 WeakPolarHBondContact O-CG2 3.31Å; I75-V82 PolarHBondContact O-N 2.67Å; I75-L83 PolarHBondContact O-N 3.34Å; I75-K106 HydrophobicContact CB-CB 4.14Å; I75-K106 WeakPolarHBondContact CB-O 3.45Å; I75-K106 HydrophobicContact CD1-CB 4.37Å; I75-K106 PolarHBondContact N-O 2.75Å; I75-V107 VanDerWaalsContact CD1-C 3.41Å; I75-Y108 HydrophobicContact CD1-CD1 3.66Å; I75-Y108 HydrophobicContact CD1-CD2 3.56Å; I75-Y108 HydrophobicContact CD1-CE1 3.61Å; I75-Y108 HydrophobicContact CD1-CE2 3.53Å; I75-Y108 HydrophobicContact CD1-CG 3.61Å; I75-Y108 HydrophobicContact CG1-CD1 4.48Å; I75-Y108 HydrophobicContact CG1-CD2 3.47Å; I75-Y108 VanDerWaalsContact CG1-CD2 3.47Å; I75-Y108 HydrophobicContact CG1-CE2 3.53Å; I75-Y108 HydrophobicContact CG1-CG 3.96Å
76	S	95.8	Very high	94.2	Very high	15 Å²	15	47.3 Å²	47.3	11%	0.105	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.9	-177.4	69.6	0	0	0	0	112	A80 I105 K106	S76-A80 CarbonylContact C-O 3.54Å; S76-A80 WeakPolarHBondContact CA-O 3.43Å; S76-A80 WeakPolarHBondContact CB-O 3.1Å; S76-I105 WeakPolarHBondContact O-CA 3.35Å; S76-K106 PolarHBondContact N-O 3.46Å; S76-K106 PolarHBondContact O-N 3.43Å; S76-K106 WeakPolarHBondContact OG-CB 3.37Å
77	V	95.6	Very high	94.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	113.3	174.8	175.7	0	0	0	0	108.9	L40 L74 Y79 A80 V82 F90 I97 L103 Q104 I105	L40-V77 HydrophobicContact CD1-CG1 4.27Å; L74-V77 HydrophobicContact CD2-CG2 4.21Å; V77-Y79 PolarHBondContact O-N 2.83Å; V77-A80 PolarHBondContact N-O 3.26Å; V77-A80 PolarHBondContact O-N 2.85Å; V77-A80 VanDerWaalsContact O-N 3.13Å; V77-V82 HydrophobicContact CB-CG1 4.3Å; V77-V82 HydrophobicContact CG2-CG1 4.33Å; V77-V82 HydrophobicContact CG2-CG2 4.27Å; V77-F90 HydrophobicContact CG2-CE2 3.82Å; V77-F90 HydrophobicContact CG2-CZ 4.34Å; V77-I97 HydrophobicContact CG1-CD1 4.48Å; V77-L103 HydrophobicContact CG1-CD1 3.95Å; V77-Q104 CarbonylContact C-O 3.6Å; V77-I105 HydrophobicContact CB-CD1 4.09Å; V77-I105 HydrophobicContact CG1-CD1 3.7Å; V77-I105 HydrophobicContact CG2-CD1 3.77Å
78	G	93.6	Very high	94.4	Very high	12 Å²	12	51.8 Å²	51.8	12%	0.124	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	-117.8	-169.4	0	0	0	0	0	110.8	Q104	G78-Q104 PolarHBondContact N-O 3.25Å
79	Y	91.7	Very high	94.4	Very high	244 Å²	244	55.8 Å²	55.8	96%	0.957	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-5.8	177.3	-57.9	-75.1	0	0	0	113.4	V77	V77-Y79 PolarHBondContact O-N 2.83Å
80	A	94.1	Very high	94.5	Very high	21 Å²	21	51 Å²	51	17%	0.174	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.9	-179.2	0	0	0	0	0	110.8	S76 V77 V82 L93	S76-A80 CarbonylContact C-O 3.54Å; S76-A80 WeakPolarHBondContact CA-O 3.43Å; S76-A80 WeakPolarHBondContact CB-O 3.1Å; V77-A80 PolarHBondContact N-O 3.26Å; V77-A80 PolarHBondContact O-N 2.85Å; V77-A80 VanDerWaalsContact O-N 3.13Å; A80-V82 HydrophobicContact CB-CG1 4.48Å; A80-L93 HydrophobicContact CB-CD1 4.02Å; A80-L93 HydrophobicContact CB-CD2 3.75Å
81	N	95.3	Very high	94.5	Very high	92 Å²	92	52.2 Å²	52.2	49%	0.492	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.8	165	-177.7	11.4	0	0	0	108.1	I75 L83 Y85	I75-N81 PolarHBondContact O-OD1 3.41Å; N81-L83 VanDerWaalsContact OD1-CB 3.32Å; N81-L83 WeakPolarHBondContact OD1-CB 3.28Å; N81-L83 PolarHBondContact OD1-N 3.04Å; N81-Y85 WeakPolarHBondContact O-CE1 3.47Å; N81-Y85 VanDerWaalsContact O-CZ 3.26Å; N81-Y85 PolarHBondContact O-OH 2.84Å
82	V	95.5	Very high	94.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.			trans	-104.8	4.4	-176.1	-58.8	0	0	0	0	112.2	L51 L74 I75 V77 A80 G84 Y85 F90 L93	L51-V82 HydrophobicContact CD1-CB 4.49Å; L74-V82 HydrophobicContact CB-CG2 3.75Å; I75-V82 WeakPolarHBondContact O-CG2 3.31Å; I75-V82 PolarHBondContact O-N 2.67Å; V77-V82 HydrophobicContact CB-CG1 4.3Å; V77-V82 HydrophobicContact CG2-CG1 4.33Å; V77-V82 HydrophobicContact CG2-CG2 4.27Å; A80-V82 HydrophobicContact CB-CG1 4.48Å; V82-G84 PolarHBondContact O-N 3.38Å; V82-Y85 HydrophobicContact CB-CD2 4.13Å; V82-Y85 HydrophobicContact CB-CG 4.18Å; V82-Y85 HydrophobicContact CG1-CD2 4.02Å; V82-Y85 HydrophobicContact CG1-CE2 4.12Å; V82-Y85 WeakPolarHBondContact O-CB 3.47Å; V82-Y85 PolarHBondContact O-N 3.34Å; V82-Y85 VanDerWaalsContact O-N 3.13Å; V82-F90 HydrophobicContact CB-CD2 4.2Å; V82-F90 HydrophobicContact CG1-CD2 3.94Å; V82-F90 HydrophobicContact CG1-CE2 4.15Å; V82-L93 HydrophobicContact CG1-CD2 3.7Å
83	L	93.6	Very high	94.4	Very high	73 Å²	73	57.8 Å²	57.8	38%	0.382	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	125.2	171.4	-160.8	103.8	0	0	0	109.4	Y50 I75 N81 Y85 Y108	Y50-L83 HydrophobicContact CD1-CD1 4.05Å; Y50-L83 HydrophobicContact CD1-CG 4.36Å; Y50-L83 HydrophobicContact CE1-CD1 4.01Å; Y50-L83 HydrophobicContact CE1-CG 4.25Å; I75-L83 PolarHBondContact O-N 3.34Å; N81-L83 VanDerWaalsContact OD1-CB 3.32Å; N81-L83 WeakPolarHBondContact OD1-CB 3.28Å; N81-L83 PolarHBondContact OD1-N 3.04Å; L83-Y85 VanDerWaalsContact C-N 3.32Å; L83-Y108 HydrophobicContact CD1-CE2 4.31Å
84	G	92.3	Very high	94.1	Very high	46 Å²	46	60.2 Å²	60.2	47%	0.474	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-4.4	-175.7	0	0	0	0	0	114.7	P49 V82	P49-G84 WeakPolarHBondContact O-CA 3.48Å; P49-G84 PolarHBondContact O-N 3.05Å; V82-G84 PolarHBondContact O-N 3.38Å
85	Y	95.4	Very high	93.8	Very high	77 Å²	77	67.4 Å²	67.4	30%	0.302	33%	0.332	S	S	.	.			trans	-70.4	142.2	176.6	-80	27	0	0	0	110.5	N81 V82 L83 E89 L93	N81-Y85 WeakPolarHBondContact O-CE1 3.47Å; N81-Y85 VanDerWaalsContact O-CZ 3.26Å; N81-Y85 PolarHBondContact O-OH 2.84Å; V82-Y85 HydrophobicContact CB-CD2 4.13Å; V82-Y85 HydrophobicContact CB-CG 4.18Å; V82-Y85 HydrophobicContact CG1-CD2 4.02Å; V82-Y85 HydrophobicContact CG1-CE2 4.12Å; V82-Y85 WeakPolarHBondContact O-CB 3.47Å; V82-Y85 PolarHBondContact O-N 3.34Å; V82-Y85 VanDerWaalsContact O-N 3.13Å; L83-Y85 VanDerWaalsContact C-N 3.32Å; Y85-E89 HydrophobicContact CD2-CB 4.11Å; Y85-E89 HydrophobicContact CG-CB 4.39Å; Y85-L93 HydrophobicContact CE2-CD2 4.4Å
86	T	95.6	Very high	93.4	Very high	53 Å²	53	74 Å²	74	33%	0.325	36%	0.362	S	S	.	.			trans	-71.5	158	163.9	63.5	0	0	0	0	110.5	R88 E89 F90	T86-R88 PolarHBondContact O-N 3.5Å; T86-E89 PolarHBondContact N-OE2 2.84Å; T86-E89 PolarHBondContact O-N 2.87Å; T86-E89 VanDerWaalsContact OG1-CD 3.28Å; T86-E89 VanDerWaalsContact OG1-CG 3.28Å; T86-E89 WeakPolarHBondContact OG1-CG 3.5Å; T86-E89 PolarHBondContact OG1-N 3.13Å; T86-E89 PolarHBondContact OG1-OE2 2.92Å; T86-F90 PolarHBondContact O-N 2.82Å
87	L	94.1	Very high	93.2	Very high	59 Å²	59	75 Å²	75	31%	0.309	37%	0.366	S	S	.	.	H	α-helix	trans	-56.7	-35.2	175	-174.7	62.3	0	0	0	111.5	I44 Q46 L51 F90 L91	I44-L87 HydrophobicContact CG2-CD1 4.44Å; Q46-L87 HydrophobicContact CB-CB 4.28Å; L51-L87 HydrophobicContact CD2-CB 4.39Å; L51-L87 HydrophobicContact CD2-CD1 4.3Å; L87-F90 PolarHBondContact O-N 2.85Å; L87-L91 HydrophobicContact CG-CD1 4.24Å; L87-L91 WeakPolarHBondContact O-CB 3.28Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.24Å; L87-L91 PolarHBondContact O-N 3.2Å
88	R	94.4	Very high	93	Very high	188 Å²	188	79.4 Å²	79.4	71%	0.709	39%	0.393	S	S	*	.	H	α-helix	trans	-64.5	-49.7	178.3	-174.3	-178.9	-177.4	-167	1	112.2	T86 F90 L91 Q92	T86-R88 PolarHBondContact O-N 3.5Å; R88-F90 VanDerWaalsContact C-N 3.28Å; R88-F90 PolarHBondContact O-N 3.24Å; R88-L91 PolarHBondContact O-N 2.82Å; R88-Q92 WeakPolarHBondContact O-CG 3.49Å; R88-Q92 PolarHBondContact O-N 3.23Å
89	E	94.9	Very high	93	Very high	88 Å²	88	83.5 Å²	83.5	41%	0.411	42%	0.415	S	S	.	.	H	α-helix	trans	-62.2	-39.8	178.4	-72	161.8	154.6	0	0	111.1	Y85 T86 Q92 L93	Y85-E89 HydrophobicContact CD2-CB 4.11Å; Y85-E89 HydrophobicContact CG-CB 4.39Å; T86-E89 PolarHBondContact N-OE2 2.84Å; T86-E89 PolarHBondContact O-N 2.87Å; T86-E89 VanDerWaalsContact OG1-CD 3.28Å; T86-E89 VanDerWaalsContact OG1-CG 3.28Å; T86-E89 WeakPolarHBondContact OG1-CG 3.5Å; T86-E89 PolarHBondContact OG1-N 3.13Å; T86-E89 PolarHBondContact OG1-OE2 2.92Å; E89-Q92 WeakPolarHBondContact O-CB 3.4Å; E89-Q92 PolarHBondContact O-N 3.22Å; E89-L93 PolarHBondContact O-N 3.14Å
90	F	94.9	Very high	93	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.009	39%	0.393	C	S	.	.	H	α-helix	trans	-63.8	-42.7	175.8	-177.6	-104	0	0	0	112.7	I44 L51 L74 V77 V82 T86 L87 R88 Q92 L93 L94	I44-F90 HydrophobicContact CD1-CD1 4.27Å; I44-F90 HydrophobicContact CD1-CE1 3.34Å; I44-F90 HydrophobicContact CD1-CZ 3.78Å; L51-F90 HydrophobicContact CD1-CB 3.5Å; L51-F90 HydrophobicContact CD1-CD1 4.29Å; L51-F90 HydrophobicContact CD1-CD2 3.7Å; L51-F90 HydrophobicContact CD1-CG 3.56Å; L74-F90 HydrophobicContact CD1-CE1 4.39Å; L74-F90 HydrophobicContact CD1-CE2 4.07Å; L74-F90 HydrophobicContact CD1-CZ 3.81Å; V77-F90 HydrophobicContact CG2-CE2 3.82Å; V77-F90 HydrophobicContact CG2-CZ 4.34Å; V82-F90 HydrophobicContact CB-CD2 4.2Å; V82-F90 HydrophobicContact CG1-CD2 3.94Å; V82-F90 HydrophobicContact CG1-CE2 4.15Å; T86-F90 PolarHBondContact O-N 2.82Å; L87-F90 PolarHBondContact O-N 2.85Å; R88-F90 VanDerWaalsContact C-N 3.28Å; R88-F90 PolarHBondContact O-N 3.24Å; F90-Q92 VanDerWaalsContact C-N 3.31Å; F90-Q92 PolarHBondContact O-N 3.18Å; F90-L93 WeakPolarHBondContact O-CB 3.43Å; F90-L93 PolarHBondContact O-N 3.39Å; F90-L94 HydrophobicContact CD1-CD1 4.03Å; F90-L94 HydrophobicContact CD1-CG 4.38Å; F90-L94 HydrophobicContact CE1-CD1 3.44Å; F90-L94 VanDerWaalsContact CE1-CD1 3.44Å; F90-L94 HydrophobicContact CE1-CD2 4.44Å; F90-L94 HydrophobicContact CE1-CG 3.95Å; F90-L94 HydrophobicContact CZ-CD1 3.95Å; F90-L94 HydrophobicContact CZ-CD2 4.12Å; F90-L94 HydrophobicContact CZ-CG 4.09Å; F90-L94 WeakPolarHBondContact O-CG 3.36Å; F90-L94 PolarHBondContact O-N 3.31Å
91	L	92.3	Very high	93	Very high	86 Å²	86	75.4 Å²	75.4	45%	0.45	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-37.1	174.8	-71.6	172.5	0	0	0	111.9	L87 R88 L94 Q95	L87-L91 HydrophobicContact CG-CD1 4.24Å; L87-L91 WeakPolarHBondContact O-CB 3.28Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.24Å; L87-L91 PolarHBondContact O-N 3.2Å; R88-L91 PolarHBondContact O-N 2.82Å; L91-L94 PolarHBondContact O-N 3.37Å; L91-Q95 WeakPolarHBondContact O-CG 3.37Å; L91-Q95 PolarHBondContact O-N 3.29Å
92	Q	93.5	Very high	93	Very high	87 Å²	87	75.2 Å²	75.2	41%	0.407	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-43.5	173.1	-73	177.1	-29.1	0	0	111.5	R88 E89 F90 L94 Q95 H96	R88-Q92 WeakPolarHBondContact O-CG 3.49Å; R88-Q92 PolarHBondContact O-N 3.23Å; E89-Q92 WeakPolarHBondContact O-CB 3.4Å; E89-Q92 PolarHBondContact O-N 3.22Å; F90-Q92 VanDerWaalsContact C-N 3.31Å; F90-Q92 PolarHBondContact O-N 3.18Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 2.68Å; Q92-Q95 WeakPolarHBondContact O-CB 3.14Å; Q92-Q95 PolarHBondContact O-N 3.47Å; Q92-Q95 VanDerWaalsContact O-N 3.16Å; Q92-H96 PolarHBondContact O-CD2 3.15Å; Q92-H96 PolarHBondContact O-N 3.44Å
93	L	92.3	Very high	93	Very high	43 Å²	43	76.1 Å²	76.1	23%	0.225	41%	0.406	C	S	.	.	H	α-helix	trans	-56.9	-44.6	173.7	178.8	69.7	0	0	0	111.3	A80 V82 Y85 E89 F90 Q95 H96 I97	A80-L93 HydrophobicContact CB-CD1 4.02Å; A80-L93 HydrophobicContact CB-CD2 3.75Å; V82-L93 HydrophobicContact CG1-CD2 3.7Å; Y85-L93 HydrophobicContact CE2-CD2 4.4Å; E89-L93 PolarHBondContact O-N 3.14Å; F90-L93 WeakPolarHBondContact O-CB 3.43Å; F90-L93 PolarHBondContact O-N 3.39Å; L93-Q95 VanDerWaalsContact C-N 3.31Å; L93-Q95 PolarHBondContact O-N 3.39Å; L93-H96 PolarHBondContact O-N 3.16Å; L93-I97 HydrophobicContact CG-CD1 4.46Å
94	L	90.3	Very high	93.2	Very high	51 Å²	51	75.8 Å²	75.8	27%	0.267	40%	0.402	S	S	.	.	H	α-helix	trans	-64.5	-31.9	178	-69.2	-176.3	0	0	0	113.5	L40 F90 L91 Q92 H96 I97	L40-L94 HydrophobicContact CD1-CD2 3.61Å; L40-L94 HydrophobicContact CG-CD2 4.32Å; F90-L94 HydrophobicContact CD1-CD1 4.03Å; F90-L94 HydrophobicContact CD1-CG 4.38Å; F90-L94 HydrophobicContact CE1-CD1 3.44Å; F90-L94 VanDerWaalsContact CE1-CD1 3.44Å; F90-L94 HydrophobicContact CE1-CD2 4.44Å; F90-L94 HydrophobicContact CE1-CG 3.95Å; F90-L94 HydrophobicContact CZ-CD1 3.95Å; F90-L94 HydrophobicContact CZ-CD2 4.12Å; F90-L94 HydrophobicContact CZ-CG 4.09Å; F90-L94 WeakPolarHBondContact O-CG 3.36Å; F90-L94 PolarHBondContact O-N 3.31Å; L91-L94 PolarHBondContact O-N 3.37Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 2.68Å; L94-H96 VanDerWaalsContact C-N 3.29Å; L94-H96 PolarHBondContact O-N 2.85Å; L94-I97 HydrophobicContact CD2-CD1 3.95Å; L94-I97 PolarHBondContact O-N 3.27Å
95	Q	88.4	Confident	93.4	Very high	152 Å²	152	73.6 Å²	73.6	71%	0.71	38%	0.379	S	S	*	.	H	α-helix	trans	-67.2	-29	177.4	-73.1	170.5	11.2	0	0	113	L91 Q92 L93 I97	L91-Q95 WeakPolarHBondContact O-CG 3.37Å; L91-Q95 PolarHBondContact O-N 3.29Å; Q92-Q95 WeakPolarHBondContact O-CB 3.14Å; Q92-Q95 PolarHBondContact O-N 3.47Å; Q92-Q95 VanDerWaalsContact O-N 3.16Å; L93-Q95 VanDerWaalsContact C-N 3.31Å; L93-Q95 PolarHBondContact O-N 3.39Å; Q95-I97 VanDerWaalsContact C-N 3.27Å; Q95-I97 PolarHBondContact O-N 3.2Å
96	H	88.7	Confident	93.4	Very high	160 Å²	160	73.2 Å²	73.2	74%	0.741	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.9	177.2	-69.5	-64.7	0	0	0	113.5	Q92 L93 L94	Q92-H96 PolarHBondContact O-CD2 3.15Å; Q92-H96 PolarHBondContact O-N 3.44Å; L93-H96 PolarHBondContact O-N 3.16Å; L94-H96 VanDerWaalsContact C-N 3.29Å; L94-H96 PolarHBondContact O-N 2.85Å
97	I	89.9	Confident	93.5	Very high	38 Å²	38	70.7 Å²	70.7	20%	0.195	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-88.4	125.2	-177.7	-68.1	161	0	0	0	109.7	V35 V77 L93 L94 Q95 L103	V35-I97 HydrophobicContact CB-CG2 4.35Å; V35-I97 HydrophobicContact CG1-CG2 4.22Å; V35-I97 HydrophobicContact CG2-CG2 3.56Å; V77-I97 HydrophobicContact CG1-CD1 4.48Å; L93-I97 HydrophobicContact CG-CD1 4.46Å; L94-I97 HydrophobicContact CD2-CD1 3.95Å; L94-I97 PolarHBondContact O-N 3.27Å; Q95-I97 VanDerWaalsContact C-N 3.27Å; Q95-I97 PolarHBondContact O-N 3.2Å; I97-L103 HydrophobicContact CD1-CD1 3.48Å; I97-L103 VanDerWaalsContact CD1-CD1 3.48Å; I97-L103 HydrophobicContact CG1-CD1 4.1Å; I97-L103 HydrophobicContact CG2-CD1 3.69Å; I97-L103 HydrophobicContact CG2-CG 4.46Å
98	T	92.1	Very high	93.5	Very high	96 Å²	96	71.2 Å²	71.2	59%	0.589	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-84	148.4	177.4	57.4	0	0	0	0	112.2	T101	T98-T101 WeakPolarHBondContact O-CB 3.5Å; T98-T101 PolarHBondContact O-N 2.97Å; T98-T101 PolarHBondContact O-OG1 3.38Å; T98-T101 PolarHBondContact OG1-OG1 3.28Å
99	V	93.6	Very high	93.5	Very high	97 Å²	97	63 Å²	63	59%	0.588	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	136.9	173.6	-179	0	0	0	0	109.9
100	G	92	Very high	93.1	Very high	48 Å²	48	64.6 Å²	64.6	50%	0.495	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-10.3	-176.4	0	0	0	0	0	114.5	V35	V35-G100 PolarHBondContact O-N 3.13Å
101	T	94.2	Very high	92.8	Very high	47 Å²	47	68.4 Å²	68.4	29%	0.288	36%	0.359	S	S	.	.			trans	-69.2	137.3	175.6	-56	0	0	0	0	110.9	T34 V35 T98 L103	T34-T101 WeakPolarHBondContact CA-O 3.25Å; V35-T101 WeakPolarHBondContact CG2-O 3.19Å; V35-T101 PolarHBondContact N-O 2.89Å; T98-T101 WeakPolarHBondContact O-CB 3.5Å; T98-T101 PolarHBondContact O-N 2.97Å; T98-T101 PolarHBondContact O-OG1 3.38Å; T98-T101 PolarHBondContact OG1-OG1 3.28Å; T101-L103 HydrophobicContact CG2-CD2 3.9Å; T101-L103 HydrophobicContact CG2-CG 4.26Å
102	V	95.2	Very high	92.6	Very high	89 Å²	89	66 Å²	66	54%	0.539	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.9	173.1	-177.6	0	0	0	0	109.1	K32 L33 T34	K32-V102 HydrophobicContact CB-CG1 4.15Å; L33-V102 WeakPolarHBondContact O-CA 3.36Å; T34-V102 HydrophobicContact CG2-CG2 4.44Å
103	L	95.9	Very high	92.3	Very high	19 Å²	19	68.9 Å²	68.9	10%	0.099	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	136	-179.4	-65.5	179.9	0	0	0	111.4	K32 L33 V35 L40 V77 I97 T101 I105	K32-L103 CarbonylContact C-O 3.54Å; K32-L103 WeakPolarHBondContact CA-O 3.5Å; L33-L103 PolarHBondContact N-O 2.82Å; L33-L103 PolarHBondContact O-N 3.19Å; V35-L103 HydrophobicContact CG2-CD1 3.74Å; V35-L103 HydrophobicContact CG2-CG 4.09Å; L40-L103 HydrophobicContact CD2-CD1 4.23Å; V77-L103 HydrophobicContact CG1-CD1 3.95Å; I97-L103 HydrophobicContact CD1-CD1 3.48Å; I97-L103 VanDerWaalsContact CD1-CD1 3.48Å; I97-L103 HydrophobicContact CG1-CD1 4.1Å; I97-L103 HydrophobicContact CG2-CD1 3.69Å; I97-L103 HydrophobicContact CG2-CG 4.46Å; T101-L103 HydrophobicContact CG2-CD2 3.9Å; T101-L103 HydrophobicContact CG2-CG 4.26Å; L103-I105 HydrophobicContact CB-CD1 4.43Å
104	Q	96.4	Very high	92	Very high	65 Å²	65	68.3 Å²	68.3	30%	0.304	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118.6	171.6	-177.2	168.3	85.5	0	0	109.7	Q30 T31 V77 G78	Q30-Q104 HydrophobicContact CG-CG 4.11Å; T31-Q104 CarbonylContact O-C 3.55Å; T31-Q104 WeakPolarHBondContact O-CA 2.85Å; V77-Q104 CarbonylContact C-O 3.6Å; G78-Q104 PolarHBondContact N-O 3.25Å
105	I	96.5	Very high	91.6	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.4	177.4	-48	-68.6	0	0	0	108.3	Q30 T31 L33 L40 L68 L74 S76 V77 L103 V107	Q30-I105 CarbonylContact C-O 3.58Å; Q30-I105 WeakPolarHBondContact CA-O 3.41Å; T31-I105 HydrophobicContact CG2-CB 4.05Å; T31-I105 HydrophobicContact CG2-CG1 4.49Å; T31-I105 PolarHBondContact N-O 3.05Å; T31-I105 PolarHBondContact O-N 3.23Å; L33-I105 HydrophobicContact CB-CG1 4.37Å; L33-I105 HydrophobicContact CD1-CG1 3.81Å; L33-I105 HydrophobicContact CG-CG1 3.92Å; L40-I105 HydrophobicContact CD1-CD1 4.13Å; L40-I105 HydrophobicContact CD2-CD1 4.49Å; L68-I105 HydrophobicContact CD1-CG2 4.22Å; L68-I105 HydrophobicContact CD2-CG2 4.41Å; L74-I105 HydrophobicContact CD2-CG2 3.77Å; S76-I105 WeakPolarHBondContact O-CA 3.35Å; V77-I105 HydrophobicContact CB-CD1 4.09Å; V77-I105 HydrophobicContact CG1-CD1 3.7Å; V77-I105 HydrophobicContact CG2-CD1 3.77Å; L103-I105 HydrophobicContact CB-CD1 4.43Å; I105-V107 HydrophobicContact CG2-CG1 4.01Å
106	K	96.6	Very high	91.2	Very high	70 Å²	70	66.3 Å²	66.3	30%	0.304	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.9	168.6	-66.2	179.4	-179.2	173.3	0	109.8	Q29 Q30 I75 S76	Q29-K106 CarbonylContact O-C 3.6Å; Q29-K106 WeakPolarHBondContact O-CA 2.72Å; Q30-K106 HydrophobicContact CB-CG 4.12Å; Q30-K106 VanDerWaalsContact CD-CE 3.43Å; Q30-K106 HydrophobicContact CG-CG 3.8Å; I75-K106 HydrophobicContact CB-CB 4.14Å; I75-K106 WeakPolarHBondContact CB-O 3.45Å; I75-K106 HydrophobicContact CD1-CB 4.37Å; I75-K106 PolarHBondContact N-O 2.75Å; S76-K106 PolarHBondContact N-O 3.46Å; S76-K106 PolarHBondContact O-N 3.43Å; S76-K106 WeakPolarHBondContact OG-CB 3.37Å
107	V	96.5	Very high	90.7	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	153.4	-178.1	-59.4	0	0	0	0	112.1	T28 Q29 I53 L68 D72 V73 L74 I75 I105	T28-V107 WeakPolarHBondContact CA-O 3.4Å; Q29-V107 HydrophobicContact CB-CG2 3.8Å; Q29-V107 PolarHBondContact N-O 2.77Å; Q29-V107 PolarHBondContact O-N 2.82Å; I53-V107 HydrophobicContact CD1-CG1 4.49Å; L68-V107 HydrophobicContact CD2-CG1 3.81Å; L68-V107 HydrophobicContact CD2-CG2 3.86Å; D72-V107 HydrophobicContact CB-CB 3.99Å; D72-V107 HydrophobicContact CB-CG1 4.2Å; D72-V107 HydrophobicContact CB-CG2 4.1Å; V73-V107 CarbonylContact O-C 3.58Å; V73-V107 WeakPolarHBondContact O-CA 2.92Å; V73-V107 VanDerWaalsContact O-CB 3.31Å; V73-V107 WeakPolarHBondContact O-CB 2.89Å; L74-V107 HydrophobicContact CD2-CG1 3.97Å; I75-V107 VanDerWaalsContact CD1-C 3.41Å; I105-V107 HydrophobicContact CG2-CG1 4.01Å
108	Y	95.4	Very high	90.1	Very high	69 Å²	69	69.1 Å²	69.1	27%	0.271	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.3	162.9	-68.1	-59.5	0	0	0	110	T28 V73 I75 L83	T28-Y108 WeakPolarHBondContact OG1-CE1 3.33Å; V73-Y108 PolarHBondContact N-O 2.91Å; V73-Y108 PolarHBondContact O-N 3.17Å; I75-Y108 HydrophobicContact CD1-CD1 3.66Å; I75-Y108 HydrophobicContact CD1-CD2 3.56Å; I75-Y108 HydrophobicContact CD1-CE1 3.61Å; I75-Y108 HydrophobicContact CD1-CE2 3.53Å; I75-Y108 HydrophobicContact CD1-CG 3.61Å; I75-Y108 HydrophobicContact CG1-CD1 4.48Å; I75-Y108 HydrophobicContact CG1-CD2 3.47Å; I75-Y108 VanDerWaalsContact CG1-CD2 3.47Å; I75-Y108 HydrophobicContact CG1-CE2 3.53Å; I75-Y108 HydrophobicContact CG1-CG 3.96Å; L83-Y108 HydrophobicContact CD1-CE2 4.31Å
109	R	93.7	Very high	89.1	Confident	16 Å²	16	67.5 Å²	67.5	6%	0.06	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.7	170.8	177.8	68.9	70.1	-155.8	-8.9	109.5	S26 K27 Q29 K67 Q69 D72 F111	S26-R109 WeakPolarHBondContact CA-O 3.35Å; S26-R109 WeakPolarHBondContact CB-O 3.49Å; K27-R109 HydrophobicContact CB-CB 4.32Å; K27-R109 PolarHBondContact N-O 2.76Å; K27-R109 WeakPolarHBondContact O-CB 3.34Å; K27-R109 PolarHBondContact O-N 3.13Å; Q29-R109 HydrophobicContact CG-CB 4.39Å; Q29-R109 VanDerWaalsContact NE2-NE 3.13Å; K67-R109 PolarHBondContact O-NH2 2.84Å; Q69-R109 VanDerWaalsContact CB-NH1 3.32Å; Q69-R109 VanDerWaalsContact CG-NH2 3.32Å; Q69-R109 PolarHBondContact O-NH1 2.86Å; Q69-R109 VanDerWaalsContact OE1-CZ 3.25Å; D72-R109 IonicContact OD1-CZ 2.67Å; D72-R109 IonicContact OD1-NE 3.28Å; D72-R109 PolarHBondContact OD1-NE 3.38Å; D72-R109 IonicContact OD1-NH1 3.21Å; D72-R109 PolarHBondContact OD1-NH1 3.43Å; D72-R109 IonicContact OD1-NH2 3.83Å; D72-R109 PolarHBondContact OD1-NH2 2.96Å; D72-R109 IonicContact OD2-CZ 2.77Å; D72-R109 IonicContact OD2-NH1 2.89Å; D72-R109 PolarHBondContact OD2-NH1 3.12Å; D72-R109 IonicContact OD2-NH2 3.04Å; D72-R109 PolarHBondContact OD2-NH2 3.08Å; R109-F111 PolarHBondContact O-N 2.84Å
110	D	87.8	Confident	87.6	Confident	122 Å²	122	70.2 Å²	70.2	65%	0.652	36%	0.355	S	S	*	.	S	Bend	trans	57.5	28.1	176.2	-51.2	-33.7	0	0	0	113.9
111	F	87.5	Confident	86.4	Confident	81 Å²	81	71.4 Å²	71.4	36%	0.355	35%	0.35	S	S	.	.	S	Bend	trans	-80.9	-45.5	178.3	-176.6	-109.7	0	0	0	112.1	Y50 V73 R109	Y50-F111 HydrophobicContact CD1-CE1 4.34Å; Y50-F111 HydrophobicContact CD2-CE1 4.34Å; Y50-F111 AromaticContact CE1-CE1 3.94Å; Y50-F111 HydrophobicContact CE1-CE1 3.94Å; Y50-F111 HydrophobicContact CE1-CZ 4.46Å; Y50-F111 AromaticContact CE2-CE1 3.93Å; Y50-F111 HydrophobicContact CE2-CE1 3.93Å; Y50-F111 AromaticContact CZ-CE1 3.71Å; V73-F111 HydrophobicContact CG2-CB 4.45Å; V73-F111 HydrophobicContact CG2-CD1 4.2Å; R109-F111 PolarHBondContact O-N 2.84Å
112	I	88.4	Confident	84.5	Confident	35 Å²	35	72.1 Å²	72.1	18%	0.179	35%	0.347	C	S	.	.	S	Bend	trans	-136.7	135.9	-179.9	-69.2	165.9	0	0	0	108	Y50 Q52 V73	Y50-I112 HydrophobicContact CD2-CD1 3.29Å; Y50-I112 HydrophobicContact CE2-CD1 3.72Å; Y50-I112 HydrophobicContact CG-CD1 3.97Å; Q52-I112 PolarHBondContact NE2-O 2.85Å; V73-I112 HydrophobicContact CG2-CB 4.4Å
113	N	86.8	Confident	82.7	Confident	148 Å²	148	74.7 Å²	74.7	79%	0.791	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-72.1	139.9	172.6	-65.1	-69.2	0	0	0	109.9
114	I	85.4	Confident	80.9	Confident	32 Å²	32	80.3 Å²	80.3	16%	0.164	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-61.2	131.1	171.8	-53.3	172.1	0	0	0	107.7	T54 P70 G71 W118 L119	T54-I114 HydrophobicContact CG2-CG2 4.47Å; P70-I114 HydrophobicContact CB-CD1 4.04Å; G71-I114 VanDerWaalsContact CA-CG1 3.49Å; I114-W118 HydrophobicContact CG2-CB 4.09Å; I114-L119 HydrophobicContact CB-CD2 4.43Å; I114-L119 HydrophobicContact CD1-CD2 4.48Å; I114-L119 HydrophobicContact CG2-CD2 4.27Å
115	P	83.1	Confident	79.3	Confident	28 Å²	28	79.5 Å²	79.5	18%	0.182	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-60.7	139.1	175.6	-17.7	28.4	0	0	0	111.2	H47 E117 W118	H47-P115 WeakPolarHBondContact CD2-CG 3.32Å; P115-E117 PolarHBondContact O-N 3.09Å; P115-W118 PolarHBondContact O-N 3.04Å
116	E	79.6	Confident	77.4	Confident	132 Å²	132	84.9 Å²	84.9	62%	0.617	42%	0.42	S	S	*	.	H	α-helix	trans	-56.7	-35.3	-174.9	-162.4	68.7	-151.2	0	0	112.4	W118 L119	E116-W118 PolarHBondContact O-N 3.03Å; E116-L119 WeakPolarHBondContact O-CB 3.45Å; E116-L119 PolarHBondContact O-N 3.36Å; E116-L119 WeakPolarHBondContact OE2-CD1 3.36Å
117	E	78.7	Confident	75.3	Confident	154 Å²	154	86.4 Å²	86.4	72%	0.72	43%	0.428	S	S	*	.	H	α-helix	trans	-55.3	-27.6	177.2	-62.4	159.6	-140.8	0	0	113.2	P115	P115-E117 PolarHBondContact O-N 3.09Å
118	W	77.5	Confident	73.2	Confident	104 Å²	104	87.6 Å²	87.6	39%	0.394	44%	0.438	S	S	.	.	H	α-helix	trans	-88.6	-16.9	178.2	-70.7	91.3	0	0	0	113	I45 T54 I114 P115 E116 E120 I121 Y122	I45-W118 HydrophobicContact CB-CZ2 4.41Å; I45-W118 HydrophobicContact CD1-CB 4.49Å; I45-W118 HydrophobicContact CD1-CD2 4.13Å; I45-W118 HydrophobicContact CD1-CG 3.84Å; I45-W118 HydrophobicContact CG2-CD2 3.71Å; I45-W118 HydrophobicContact CG2-CE3 3.61Å; I45-W118 HydrophobicContact CG2-CG 4.47Å; I45-W118 HydrophobicContact CG2-CH2 3.73Å; I45-W118 HydrophobicContact CG2-CZ2 3.82Å; I45-W118 HydrophobicContact CG2-CZ3 3.63Å; T54-W118 HydrophobicContact CG2-CB 4.46Å; I114-W118 HydrophobicContact CG2-CB 4.09Å; P115-W118 PolarHBondContact O-N 3.04Å; E116-W118 PolarHBondContact O-N 3.03Å; W118-E120 VanDerWaalsContact C-N 3.3Å; W118-E120 PolarHBondContact O-N 2.96Å; W118-I121 HydrophobicContact CD2-CD1 4.26Å; W118-I121 HydrophobicContact CE3-CD1 3.78Å; W118-I121 HydrophobicContact CZ3-CD1 4.08Å; W118-Y122 WeakPolarHBondContact O-CD1 3.13Å; W118-Y122 WeakPolarHBondContact O-CE1 2.79Å
119	L	69.3	Low	70.8	Confident	62 Å²	62	92.2 Å²	92.2	33%	0.325	46%	0.459	S	S	.	.	H	α-helix	trans	-71.8	-24.6	179	-62.8	176.4	0	0	0	112.7	I114 E116 Y122	I114-L119 HydrophobicContact CB-CD2 4.43Å; I114-L119 HydrophobicContact CD1-CD2 4.48Å; I114-L119 HydrophobicContact CG2-CD2 4.27Å; E116-L119 WeakPolarHBondContact O-CB 3.45Å; E116-L119 PolarHBondContact O-N 3.36Å; E116-L119 WeakPolarHBondContact OE2-CD1 3.36Å; L119-Y122 VanDerWaalsContact CA-CE2 3.47Å; L119-Y122 HydrophobicContact CB-CE2 4.16Å; L119-Y122 HydrophobicContact CD2-CE2 3.61Å; L119-Y122 WeakPolarHBondContact CD2-OH 3.45Å; L119-Y122 HydrophobicContact CG-CE2 4.47Å; L119-Y122 WeakPolarHBondContact O-CD2 3.48Å; L119-Y122 WeakPolarHBondContact O-CE2 3.13Å
120	E	64.1	Low	68.2	Low	153 Å²	153	98.4 Å²	98.4	72%	0.715	49%	0.487	S	S	*	.	S	Bend	trans	-90.3	-14.7	-176.1	-67.8	-177.7	168.9	0	0	113.9	W118 Y122	W118-E120 VanDerWaalsContact C-N 3.3Å; W118-E120 PolarHBondContact O-N 2.96Å; E120-Y122 PolarHBondContact O-N 3.48Å
121	I	65.1	Low	65.8	Low	74 Å²	74	98.3 Å²	98.3	38%	0.379	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-77.6	-8.8	-177.4	-57.6	171.3	0	0	0	111.8	W118 D123 L124	W118-I121 HydrophobicContact CD2-CD1 4.26Å; W118-I121 HydrophobicContact CE3-CD1 3.78Å; W118-I121 HydrophobicContact CZ3-CD1 4.08Å; I121-D123 VanDerWaalsContact C-N 3.29Å; I121-D123 PolarHBondContact O-N 3.48Å; I121-L124 PolarHBondContact O-N 3.05Å
122	Y	55.4	Low	63.3	Low	62 Å²	62	100.6 Å²	100.6	24%	0.243	51%	0.514	C	S	.	.	G	3₁₀ helix	trans	-63.4	-28.2	-169	-62.6	-13	0	0	0	114.5	H55 W118 L119 E120 L124	H55-Y122 AromaticContact CD2-CD1 3.93Å; H55-Y122 AromaticContact CD2-CE1 3.74Å; H55-Y122 AromaticContact CE1-CD1 2.92Å; H55-Y122 WeakPolarHBondContact CE1-CD1 3.05Å; H55-Y122 AromaticContact CE1-CD2 3.77Å; H55-Y122 AromaticContact CE1-CE1 2.89Å; H55-Y122 WeakPolarHBondContact CE1-CE1 3.2Å; H55-Y122 AromaticContact CE1-CE2 3.8Å; H55-Y122 AromaticContact CE1-CG 3.31Å; H55-Y122 AromaticContact CE1-CZ 3.35Å; H55-Y122 AromaticContact ND1-CE1 3.82Å; H55-Y122 AromaticContact NE2-CD1 2.72Å; H55-Y122 WeakPolarHBondContact NE2-CD1 3.37Å; H55-Y122 AromaticContact NE2-CE1 2.85Å; H55-Y122 WeakPolarHBondContact NE2-CE1 3.4Å; H55-Y122 AromaticContact NE2-CG 3.52Å; H55-Y122 AromaticContact NE2-CZ 3.79Å; W118-Y122 WeakPolarHBondContact O-CD1 3.13Å; W118-Y122 WeakPolarHBondContact O-CE1 2.79Å; L119-Y122 VanDerWaalsContact CA-CE2 3.47Å; L119-Y122 HydrophobicContact CB-CE2 4.16Å; L119-Y122 HydrophobicContact CD2-CE2 3.61Å; L119-Y122 WeakPolarHBondContact CD2-OH 3.45Å; L119-Y122 HydrophobicContact CG-CE2 4.47Å; L119-Y122 WeakPolarHBondContact O-CD2 3.48Å; L119-Y122 WeakPolarHBondContact O-CE2 3.13Å; E120-Y122 PolarHBondContact O-N 3.48Å; Y122-L124 VanDerWaalsContact C-N 3.29Å; Y122-L124 PolarHBondContact O-N 3.21Å
123	D	57.8	Low	60.5	Low	142 Å²	142	105.5 Å²	105.5	76%	0.759	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-79.9	-11.9	178.7	-75.8	-27	0	0	0	113.7	I121	I121-D123 VanDerWaalsContact C-N 3.29Å; I121-D123 PolarHBondContact O-N 3.48Å
124	L	58.1	Low	57.9	Low	138 Å²	138	103.6 Å²	103.6	72%	0.723	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-100.5	-4.4	-174.7	-59.5	177	0	0	0	113.6	I121 Y122 P126	I121-L124 PolarHBondContact O-N 3.05Å; Y122-L124 VanDerWaalsContact C-N 3.29Å; Y122-L124 PolarHBondContact O-N 3.21Å; L124-P126 WeakPolarHBondContact O-CD 2.87Å
125	I	62.6	Low	55.5	Low	47 Å²	47	108.3 Å²	108.3	24%	0.241	57%	0.574	C	S	.	*			trans	-76.7	108.8	176.5	-57.2	177	0	0	0	108.8	I43 H55 E127 A128	I43-I125 HydrophobicContact CD1-CD1 3.87Å; I43-I125 HydrophobicContact CD1-CG2 4.42Å; H55-I125 WeakPolarHBondContact CD2-CD1 3.39Å; H55-I125 WeakPolarHBondContact NE2-CD1 3.33Å; I125-E127 HydrophobicContact CG2-CB 4.49Å; I125-E127 PolarHBondContact O-N 3.28Å; I125-E127 VanDerWaalsContact O-N 3.14Å; I125-A128 PolarHBondContact O-N 2.88Å
126	P	55.3	Low	53.2	Low	114 Å²	114	113 Å²	113	74%	0.74	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-63.4	-27.8	-171.4	-22.1	35.3	0	0	0	113.3	L124 A128 K129	L124-P126 WeakPolarHBondContact O-CD 2.87Å; P126-A128 VanDerWaalsContact C-N 3.29Å; P126-A128 PolarHBondContact O-N 3.02Å; P126-K129 PolarHBondContact O-N 3.37Å
127	E	53.5	Low	50.9	Low	101 Å²	101	116.7 Å²	116.7	47%	0.472	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-76.3	-9.4	-172.5	-60.7	-170.8	165.4	0	0	114.4	I125 K129 F130	I125-E127 HydrophobicContact CG2-CB 4.49Å; I125-E127 PolarHBondContact O-N 3.28Å; I125-E127 VanDerWaalsContact O-N 3.14Å; E127-K129 PolarHBondContact O-N 2.92Å; E127-F130 HydrophobicContact CB-CE2 4.13Å; E127-F130 HydrophobicContact CB-CZ 4.41Å; E127-F130 HydrophobicContact CG-CZ 4.47Å; E127-F130 WeakPolarHBondContact O-CD2 3.39Å; E127-F130 VanDerWaalsContact O-CE2 3.31Å; E127-F130 WeakPolarHBondContact O-CE2 3.42Å
128	A	51.6	Low	48.6	Very low	26 Å²	26	118.4 Å²	118.4	22%	0.215	62%	0.623	C	S	.	*	G	3₁₀ helix	trans	-77.7	-3.6	173.9	0	0	0	0	0	113.1	R58 I125 P126	R58-A128 PolarHBondContact NE-O 3.08Å; R58-A128 PolarHBondContact NH1-O 3.46Å; R58-A128 PolarHBondContact NH2-O 3.18Å; I125-A128 PolarHBondContact O-N 2.88Å; P126-A128 VanDerWaalsContact C-N 3.29Å; P126-A128 PolarHBondContact O-N 3.02Å
129	K	45.7	Very low	46.4	Very low	165 Å²	165	122.5 Å²	122.5	72%	0.717	65%	0.649	S	S	*	*			trans	-133.6	62.7	179.5	-62.1	-179.7	-173.2	172	0	111.3	P126 E127 P131	P126-K129 PolarHBondContact O-N 3.37Å; E127-K129 PolarHBondContact O-N 2.92Å; K129-P131 WeakPolarHBondContact O-CD 3.47Å
130	F	38.1	Very low	44.7	Very low	146 Å²	146	127.6 Å²	127.6	64%	0.64	67%	0.672	S	S	*	*			trans	-68.6	123.9	157.4	-66.8	-75.5	0	0	0	108.2	E127 V132	E127-F130 HydrophobicContact CB-CE2 4.13Å; E127-F130 HydrophobicContact CB-CZ 4.41Å; E127-F130 HydrophobicContact CG-CZ 4.47Å; E127-F130 WeakPolarHBondContact O-CD2 3.39Å; E127-F130 VanDerWaalsContact O-CE2 3.31Å; E127-F130 WeakPolarHBondContact O-CE2 3.42Å; F130-V132 PolarHBondContact O-N 2.57Å; F130-V132 VanDerWaalsContact O-N 3.12Å
131	P	37.8	Very low	43	Very low	120 Å²	120	128.9 Å²	128.9	78%	0.779	68%	0.682	S	S	*	*			trans	-62.6	118.4	176.8	23.3	-29.9	0	0	0	109.4	K129 T133	K129-P131 WeakPolarHBondContact O-CD 3.47Å; P131-T133 PolarHBondContact O-N 3.49Å
132	V	34.9	Very low	41.5	Very low	130 Å²	130	129.5 Å²	129.5	79%	0.788	70%	0.698	S	S	*	*			trans	-66.7	116	170.7	174	0	0	0	0	107.2	F130 S134	F130-V132 PolarHBondContact O-N 2.57Å; F130-V132 VanDerWaalsContact O-N 3.12Å; V132-S134 PolarHBondContact O-N 3.06Å; V132-S134 VanDerWaalsContact O-N 3.12Å
133	T	30.9	Very low	40.5	Very low	138 Å²	138	135.4 Å²	135.4	85%	0.847	73%	0.725	S	S	*	*			trans	-66.2	106.5	168.9	0.8	0	0	0	0	107.8	P131	P131-T133 PolarHBondContact O-N 3.49Å
134	S	32.3	Very low	39.2	Very low	107 Å²	107	135.5 Å²	135.5	75%	0.748	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-65.9	126.8	168.6	37.9	0	0	0	0	109.5	V132	V132-S134 PolarHBondContact O-N 3.06Å; V132-S134 VanDerWaalsContact O-N 3.12Å
135	T	33.6	Very low	38.1	Very low	131 Å²	131	136.7 Å²	136.7	80%	0.804	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-60.2	133	170.6	48.4	0	0	0	0	110.6
136	P	35.3	Very low	36.5	Very low	128 Å²	128	140 Å²	140	83%	0.831	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-79.4	137.8	169.5	31.6	-30.1	0	0	0	110.5
137	K	32.3	Very low	35.2	Very low	208 Å²	208	143 Å²	143	90%	0.904	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-65.9	135.8	-178.7	-150.1	173	-175.4	177.6	0	110.4
138	K	30.6	Very low	34	Very low	190 Å²	190	144.3 Å²	144.3	83%	0.826	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.9	126.2	167.9	-174.5	178.7	-179.5	-179.8	0	110
139	M	31	Very low	33.2	Very low	191 Å²	191	148.7 Å²	148.7	94%	0.941	80%	0.801	S	S	*	*			trans	-143	139.1	154.3	-110.9	175.8	97.2	0	0	108.9
140	E	32.7	Very low	32.7	Very low	169 Å²	169	146.6 Å²	146.6	79%	0.79	81%	0.807	S	S	*	*			trans	-103.4	136	-162.5	178.2	-175.2	169.5	0	0	110.2
141	L	29.3	Very low	32.6	Very low	180 Å²	180	146.2 Å²	146.2	94%	0.942	81%	0.812	S	S	*	*			trans	-161.1	145.2	150	-142.1	83.9	0	0	0	111.2
142	A	32.5	Very low	32.7	Very low	86 Å²	86	147.2 Å²	147.2	71%	0.711	81%	0.81	S	S	*	*			trans	-97.4	178.6	-156.3	0	0	0	0	0	116.5
143	K	34.1	Very low	33.2	Very low	186 Å²	186	147.4 Å²	147.4	81%	0.809	81%	0.807	S	S	*	*			trans	88.5	143.8	163.5	-60.3	-177.6	178.1	-173.7	0	116.1
144	D	30.6	Very low	33.9	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	80%	0.798	S	S	*	*			cis	-160.6	161.4	-2.4	-106.1	-29.8	0	0	0	107
145	E	35.3	Very low	34.7	Very low	162 Å²	162	150.6 Å²	150.6	76%	0.757	81%	0.806	S	S	*	*			trans	-58.5	144.7	-179.5	-65	-84.5	152.5	0	0	115.8
146	S	29	Very low	35.5	Very low	117 Å²	117	150.6 Å²	150.6	82%	0.818	81%	0.806	S	S	*	*			trans	-175.7	136.4	135.2	46.5	0	0	0	0	113.9
147	F	28.1	Very low	36	Very low	178 Å²	178	149.1 Å²	149.1	78%	0.781	79%	0.791	S	S	*	*			trans	-64.2	163.3	170.7	-55.1	-99.7	0	0	0	111.1
148	T	28.7	Very low	36.5	Very low	127 Å²	127	148 Å²	148	78%	0.779	79%	0.793	S	S	*	*			cis	-166.4	152.2	30.1	30.6	0	0	0	0	109
149	S	33.9	Very low	37.1	Very low	118 Å²	118	145.9 Å²	145.9	83%	0.825	79%	0.791	S	S	*	*			trans	57.5	115.9	137.8	175.9	0	0	0	0	121.2
150	S	36.4	Very low	37.6	Very low	122 Å²	122	146 Å²	146	85%	0.853	78%	0.781	S	S	*	*				-175.7	150.5	122.2	-173.3	0	0	0	0	111.5
151	D	35	Very low	37.8	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	78%	0.784	S	S	*	*			trans	-63.8	170.3	-172.1	-126	-24.1	0	0	0	117.5
152	D	39.6	Very low	38.4	Very low	140 Å²	140	147.9 Å²	147.9	75%	0.749	78%	0.78	S	S	*	*			trans	77.5	105	162.6	-56	-37.1	0	0	0	119.2
153	N	45.7	Very low	38.6	Very low	134 Å²	134	149.8 Å²	149.8	72%	0.717	77%	0.774	S	S	*	*				177.5	150.6	108.9	-127.4	14.7	0	0	0	114.6
154	E	47	Very low	38.7	Very low	140 Å²	140	151.6 Å²	151.6	65%	0.654	78%	0.777	S	S	*	*			trans	-36.5	141.2	-176.9	44.9	-89.6	176	0	0	121.4	V156	E154-V156 PolarHBondContact O-N 2.97Å
155	N	47.3	Very low	38.9	Very low	173 Å²	173	155.7 Å²	155.7	93%	0.925	78%	0.784	S	S	*	*			trans	-70.4	87.7	163.8	-111.4	-76.6	0	0	0	111.9
156	V	51.8	Low	38.8	Very low	131 Å²	131	157.5 Å²	157.5	79%	0.794	78%	0.784	S	S	*	*			trans	-152.4	77.1	160.8	-168.1	0	0	0	0	111.1	E154	E154-V156 PolarHBondContact O-N 2.97Å
157	D	46.3	Very low	38.8	Very low	97 Å²	97	162 Å²	162	52%	0.519	78%	0.784	S	S	.	*			trans	-152.1	50.5	165.7	-152.6	12.3	0	0	0	115.4	R160	D157-R160 WeakPolarHBondContact OD1-CB 3.48Å; D157-R160 IonicContact OD2-CZ 3.19Å; D157-R160 IonicContact OD2-NH1 2.69Å; D157-R160 PolarHBondContact OD2-NH1 3.23Å
158	L	41.1	Very low	39.3	Very low	183 Å²	183	159.1 Å²	159.1	96%	0.958	78%	0.783	S	S	*	*	S	Bend	trans	-98.3	5.1	164.7	-74.5	-179.6	0	0	0	114.3
159	D	43.3	Very low	39.4	Very low	146 Å²	146	163.9 Å²	163.9	78%	0.781	79%	0.787	S	S	*	*	S	Bend	trans	-96.6	-5.1	178.9	-146.9	24.4	0	0	0	113.6	R161	D159-R161 PolarHBondContact O-N 3.47Å
160	R	41.3	Very low	39.5	Very low	193 Å²	193	163.4 Å²	163.4	73%	0.728	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	44.4	-178.2	-154.6	-179.6	103.5	-130.6	8.6	113.7	D157	D157-R160 WeakPolarHBondContact OD1-CB 3.48Å; D157-R160 IonicContact OD2-CZ 3.19Å; D157-R160 IonicContact OD2-NH1 2.69Å; D157-R160 PolarHBondContact OD2-NH1 3.23Å
161	R	37.8	Very low	39.8	Very low	225 Å²	225	162.1 Å²	162.1	85%	0.849	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.6	6.2	170.7	-119.4	174.4	89	168.2	3.9	116.7	D159	D159-R161 PolarHBondContact O-N 3.47Å
162	L	40.8	Very low	39.8	Very low	164 Å²	164	158.6 Å²	158.6	86%	0.859	76%	0.761	S	S	*	*	S	Bend	trans	-123.3	34.7	177.8	-66.6	177.8	0	0	0	114.1
163	Q	38.3	Very low	39.8	Very low	127 Å²	127	160.3 Å²	160.3	59%	0.593	76%	0.764	S	S	*	*			trans	-118.3	31.7	179.5	-77.2	-95.1	2.9	0	0	114.2
164	Y	35.4	Very low	39.5	Very low	223 Å²	223	161.2 Å²	161.2	88%	0.875	76%	0.764	S	S	*	*	S	Bend	trans	-112.8	54.9	171.8	-73.9	-81	0	0	0	112.1
165	Y	35	Very low	39.4	Very low	232 Å²	232	160.4 Å²	160.4	91%	0.91	77%	0.77	S	S	*	*			trans	-161.9	50.7	152.8	-126.7	-84.5	0	0	0	110.4
166	R	34.1	Very low	39.2	Very low	200 Å²	200	156.9 Å²	156.9	76%	0.755	77%	0.765	S	S	*	*			trans	-116.6	99	164.8	-170.3	177.2	-71.1	-155.9	0	107.4
167	Y	28.4	Very low	39.1	Very low	211 Å²	211	161.8 Å²	161.8	83%	0.827	77%	0.77	S	S	*	*			trans	-59.8	140.6	172.2	-132.5	-95.4	0	0	0	109.2	W169	Y167-W169 PolarHBondContact O-N 2.72Å
168	P	38.1	Very low	39.4	Very low	117 Å²	117	168 Å²	168	76%	0.76	79%	0.786	S	S	*	*			trans	-73.7	119.3	-176	-9.4	25.5	0	0	0	110.4	S170	P168-S170 PolarHBondContact O-N 3.17Å
169	W	31.7	Very low	39.8	Very low	227 Å²	227	165 Å²	165	86%	0.86	78%	0.778	S	S	*	*			trans	-75.9	112.5	166.1	-168.1	-87.6	0	0	0	108	Y167 T171	Y167-W169 PolarHBondContact O-N 2.72Å; W169-T171 PolarHBondContact O-N 3.27Å; W169-T171 VanDerWaalsContact O-N 3.16Å
170	S	34.7	Very low	39.8	Very low	108 Å²	108	165.5 Å²	165.5	76%	0.755	78%	0.778	S	S	*	*			trans	-69.1	106.6	168.8	36.9	0	0	0	0	109	P168 A172	P168-S170 PolarHBondContact O-N 3.17Å; S170-A172 VanDerWaalsContact C-N 3.31Å; S170-A172 PolarHBondContact O-N 2.99Å
171	T	42.9	Very low	40.1	Very low	96 Å²	96	161.5 Å²	161.5	59%	0.589	78%	0.78	S	S	*	*			trans	-72.8	85.4	170.9	-54.3	0	0	0	0	109.4	W169	W169-T171 PolarHBondContact O-N 3.27Å; W169-T171 VanDerWaalsContact O-N 3.16Å
172	A	36.2	Very low	40.6	Very low	63 Å²	63	157.5 Å²	157.5	52%	0.521	77%	0.774	S	S	.	*			trans	-80.6	112.8	152.8	0	0	0	0	0	107.2	S170 H174	S170-A172 VanDerWaalsContact C-N 3.31Å; S170-A172 PolarHBondContact O-N 2.99Å; A172-H174 VanDerWaalsContact C-N 3.25Å; A172-H174 PolarHBondContact O-N 2.89Å
173	H	38	Very low	41.1	Very low	176 Å²	176	152.6 Å²	152.6	82%	0.815	75%	0.754	S	S	*	*			trans	-67.6	85.1	173.2	-74.6	-79.5	0	0	0	109.9
174	H	40.7	Very low	41.7	Very low	154 Å²	154	158 Å²	158	71%	0.713	77%	0.769	S	S	*	*			trans	-86.6	125.5	158.5	-59.5	-54.8	0	0	0	107.3	A172 A176	A172-H174 VanDerWaalsContact C-N 3.25Å; A172-H174 PolarHBondContact O-N 2.89Å; H174-A176 PolarHBondContact O-N 3.07Å; H174-A176 VanDerWaalsContact O-N 3.09Å
175	P	44	Very low	42.6	Very low	122 Å²	122	153.4 Å²	153.4	79%	0.792	76%	0.759	S	S	*	*			trans	-57.9	122.3	171	22.5	-29.5	0	0	0	107.9	R177	P175-R177 PolarHBondContact O-N 2.94Å
176	A	43.2	Very low	43.2	Very low	99 Å²	99	152.1 Å²	152.1	82%	0.818	75%	0.753	S	S	*	*			trans	-56.6	102.9	-177.4	0	0	0	0	0	109.2	H174 R178	H174-A176 PolarHBondContact O-N 3.07Å; H174-A176 VanDerWaalsContact O-N 3.09Å; A176-R178 PolarHBondContact O-N 3.31Å; A176-R178 VanDerWaalsContact O-N 3.08Å
177	R	50.4	Low	44.1	Very low	235 Å²	235	151 Å²	151	89%	0.887	76%	0.756	S	S	*	*			trans	-61.5	115.8	171	-150.9	178.1	-157.7	-169	5.2	105.6	P175	P175-R177 PolarHBondContact O-N 2.94Å
178	R	52.9	Low	44.9	Very low	226 Å²	226	144.4 Å²	144.4	85%	0.853	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-47.8	126.9	175.8	-67.8	-176.5	-178.8	-176.4	0.4	107.8	A176 I180	A176-R178 PolarHBondContact O-N 3.31Å; A176-R178 VanDerWaalsContact O-N 3.08Å; R178-I180 PolarHBondContact O-N 2.81Å
179	P	47.7	Very low	45.6	Very low	122 Å²	122	148.5 Å²	148.5	79%	0.792	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-59.1	129.9	173.1	23.7	-30.4	0	0	0	107.4	S181	P179-S181 PolarHBondContact O-N 3.21Å; P179-S181 VanDerWaalsContact O-N 3.12Å
180	I	44.6	Very low	46.7	Very low	155 Å²	155	143.4 Å²	143.4	80%	0.795	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-60.2	119.3	175.2	-68.6	151	0	0	0	106.1	R178 I182	R178-I180 PolarHBondContact O-N 2.81Å; I180-I182 PolarHBondContact O-N 3.24Å
181	S	46.3	Very low	47.8	Very low	109 Å²	109	146.2 Å²	146.2	76%	0.762	74%	0.742	S	S	*	*			trans	-57.6	109.2	171.7	45.9	0	0	0	0	107.4	P179 S183	P179-S181 PolarHBondContact O-N 3.21Å; P179-S181 VanDerWaalsContact O-N 3.12Å; S181-S183 PolarHBondContact O-N 3.41Å
182	I	48.4	Very low	48.7	Very low	141 Å²	141	149.1 Å²	149.1	72%	0.723	75%	0.746	S	S	*	*			trans	-59.6	116.3	168.9	52.3	170.4	0	0	0	106.6	I180	I180-I182 PolarHBondContact O-N 3.24Å
183	S	51.3	Low	49.5	Very low	62 Å²	62	152.9 Å²	152.9	43%	0.434	76%	0.758	S	S	.	*			trans	-56.8	147	173.2	-173.1	0	0	0	0	108.9	S181 D185	S181-S183 PolarHBondContact O-N 3.41Å; S183-D185 WeakPolarHBondContact CB-OD2 3.36Å; S183-D185 PolarHBondContact O-N 2.91Å; S183-D185 PolarHBondContact OG-OD1 3.12Å; S183-D185 PolarHBondContact OG-OD2 3.27Å
184	R	52	Low	50.3	Low	240 Å²	240	151.3 Å²	151.3	91%	0.906	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-63.2	3.1	172.8	-82.1	156.6	60.7	162.3	-2.9	113.1	W186	R184-W186 VanDerWaalsContact C-N 3.29Å; R184-W186 PolarHBondContact O-N 2.89Å
185	D	53.5	Low	50.9	Low	127 Å²	127	150.2 Å²	150.2	68%	0.679	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-80	-2	-175.4	-54.5	-28.5	0	0	0	114.3	S183 H187 G188	S183-D185 WeakPolarHBondContact CB-OD2 3.36Å; S183-D185 PolarHBondContact O-N 2.91Å; S183-D185 PolarHBondContact OG-OD1 3.12Å; S183-D185 PolarHBondContact OG-OD2 3.27Å; D185-H187 PolarHBondContact O-N 3.06Å; D185-G188 PolarHBondContact O-N 2.95Å
186	W	48.8	Very low	51.5	Low	205 Å²	205	150.8 Å²	150.8	78%	0.777	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-66.7	-2.6	178.9	-84.9	91.9	0	0	0	115	R184	R184-W186 VanDerWaalsContact C-N 3.29Å; R184-W186 PolarHBondContact O-N 2.89Å
187	H	52	Low	52.1	Low	176 Å²	176	151.3 Å²	151.3	82%	0.815	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-125.2	34.3	177	-58.8	-45.6	0	0	0	113.4	D185 Y189	D185-H187 PolarHBondContact O-N 3.06Å; H187-Y189 PolarHBondContact O-N 3.01Å
188	G	45.8	Very low	52.3	Low	72 Å²	72	146 Å²	146	74%	0.742	74%	0.741	S	S	*	*			trans	-70.8	53.7	161.6	0	0	0	0	0	112.4	D185 N190	D185-G188 PolarHBondContact O-N 2.95Å; G188-N190 PolarHBondContact O-N 2.83Å
189	Y	52.4	Low	52.3	Low	204 Å²	204	137.4 Å²	137.4	80%	0.8	72%	0.723	S	S	*	*			trans	-73.1	101.8	172.7	-165	-92.8	0	0	0	108	H187 K191	H187-Y189 PolarHBondContact O-N 3.01Å; Y189-K191 PolarHBondContact O-N 2.91Å
190	N	55.7	Low	52.8	Low	120 Å²	120	141.2 Å²	141.2	64%	0.642	73%	0.727	S	S	*	*			trans	-61.5	102.6	174.8	-174.1	-9.7	0	0	0	108.8	G188 K192	G188-N190 PolarHBondContact O-N 2.83Å; N190-K192 VanDerWaalsContact C-N 3.29Å; N190-K192 PolarHBondContact O-N 3.49Å
191	K	57.2	Low	53.3	Low	167 Å²	167	140 Å²	140	73%	0.726	72%	0.722	S	S	*	*			trans	-67.9	90.5	172.2	-71.4	-176.7	-179.1	-179.8	0	108.1	Y189 N193	Y189-K191 PolarHBondContact O-N 2.91Å; K191-N193 PolarHBondContact O-N 3.45Å; K191-N193 VanDerWaalsContact O-N 3.12Å
192	K	61.1	Low	53.6	Low	156 Å²	156	143.1 Å²	143.1	68%	0.678	73%	0.728	S	S	*	*			trans	-72.5	101.3	165.3	-57.4	-179.2	-171.4	175.3	0	106.7	N190 H194	N190-K192 VanDerWaalsContact C-N 3.29Å; N190-K192 PolarHBondContact O-N 3.49Å; K192-H194 PolarHBondContact O-N 3.42Å; K192-H194 PolarHBondContact O-ND1 3.38Å
193	N	53.8	Low	54.1	Low	143 Å²	143	144.1 Å²	144.1	77%	0.765	74%	0.735	S	S	*	*			trans	-55.6	105.2	174.6	-62.1	-34.6	0	0	0	108.5	K191 T195	K191-N193 PolarHBondContact O-N 3.45Å; K191-N193 VanDerWaalsContact O-N 3.12Å; N193-T195 PolarHBondContact O-N 2.78Å
194	H	55.3	Low	54.2	Low	143 Å²	143	144.8 Å²	144.8	66%	0.662	74%	0.739	S	S	*	*			trans	-82.8	105.6	167.2	-83.8	47.3	0	0	0	106.5	K192 I196	K192-H194 PolarHBondContact O-N 3.42Å; K192-H194 PolarHBondContact O-ND1 3.38Å; H194-I196 PolarHBondContact O-N 3.26Å
195	T	52.2	Low	54.6	Low	130 Å²	130	140.7 Å²	140.7	80%	0.798	74%	0.735	S	S	*	*			trans	-76.7	106.2	174.5	-56.9	0	0	0	0	107.7	N193 S197	N193-T195 PolarHBondContact O-N 2.78Å; T195-S197 PolarHBondContact O-N 2.88Å
196	I	57.7	Low	54.9	Low	134 Å²	134	140 Å²	140	69%	0.687	74%	0.735	S	S	*	*			trans	-85.2	108.1	176.1	-44.4	173.1	0	0	0	106.8	H194	H194-I196 PolarHBondContact O-N 3.26Å
197	S	54.6	Low	55	Low	110 Å²	110	137.2 Å²	137.2	77%	0.769	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-89.4	117.3	176.1	49.6	0	0	0	0	110	T195	T195-S197 PolarHBondContact O-N 2.88Å
198	V	54.9	Low	55.4	Low	124 Å²	124	135.3 Å²	135.3	75%	0.752	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-92	122.9	173.2	-176.9	0	0	0	0	108.2
199	G	54	Low	55.5	Low	46 Å²	46	138.9 Å²	138.9	47%	0.474	72%	0.724	S	S	.	*	P	Polyproline II helix	trans	-64.2	140.2	176.7	0	0	0	0	0	111.2	D201	G199-D201 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 2.97Å
200	K	56.5	Low	55.4	Low	202 Å²	202	139.4 Å²	139.4	88%	0.878	73%	0.725	S	S	*	*			trans	-94.5	36.5	-175.7	-159.6	-177.6	171.8	178	0	112.4
201	D	54.9	Low	55	Low	130 Å²	130	139.4 Å²	139.4	70%	0.695	73%	0.725	S	S	*	*	S	Bend	trans	-131.5	144.3	178.9	-65.3	-44.3	0	0	0	110.9	G199 D203 C204	G199-D201 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 2.97Å; D201-D203 PolarHBondContact O-N 3.08Å; D201-C204 PolarHBondContact O-SG 2.94Å
202	I	53.9	Low	54.9	Low	173 Å²	173	139.4 Å²	139.4	89%	0.887	73%	0.733	S	S	*	*	S	Bend	trans	-69	12.2	-160.6	45.3	171.5	0	0	0	116.5
203	D	58.4	Low	54.4	Low	162 Å²	162	140.2 Å²	140.2	87%	0.866	74%	0.736	S	S	*	*	S	Bend	trans	-149.5	67.4	172.1	-79.8	-42.7	0	0	0	110.6	D201	D201-D203 PolarHBondContact O-N 3.08Å
204	C	53.8	Low	54.3	Low	76 Å²	76	142.8 Å²	142.8	51%	0.514	74%	0.74	S	S	.	*			trans	-121.8	116.7	176	-68.6	0	0	0	0	111.4	D201	D201-C204 PolarHBondContact O-SG 2.94Å
205	D	61	Low	53.7	Low	154 Å²	154	145.5 Å²	145.5	82%	0.824	75%	0.753	S	S	*	*			trans	-71	141.8	162.1	-73.3	-34.6	0	0	0	109.9	M207	D205-M207 PolarHBondContact O-N 3.42Å
206	V	58.5	Low	53.4	Low	114 Å²	114	145.8 Å²	145.8	69%	0.691	75%	0.754	S	S	*	*			trans	-67.2	100.6	179.6	-179.2	0	0	0	0	109.7	I208	V206-I208 HydrophobicContact CG1-CG1 4.42Å; V206-I208 PolarHBondContact O-N 3.31Å
207	M	51.8	Low	52.9	Low	145 Å²	145	148.5 Å²	148.5	71%	0.714	76%	0.761	S	S	*	*			trans	-84.3	105.8	176.3	-75.1	-81.2	-74.6	0	0	110.6	D205 H209	D205-M207 PolarHBondContact O-N 3.42Å; M207-H209 PolarHBondContact O-N 2.76Å
208	I	60.4	Low	52.3	Low	136 Å²	136	147.1 Å²	147.1	70%	0.697	76%	0.757	S	S	*	*			trans	-84.7	96.9	171.4	-55.2	176.4	0	0	0	108.5	V206 R210	V206-I208 HydrophobicContact CG1-CG1 4.42Å; V206-I208 PolarHBondContact O-N 3.31Å; I208-R210 HydrophobicContact CG2-CG 4.46Å; I208-R210 PolarHBondContact O-N 3.19Å
209	H	48	Very low	52.1	Low	148 Å²	148	147.1 Å²	147.1	69%	0.685	76%	0.759	S	S	*	*			trans	-69	111.4	165.6	-79.6	-85.5	0	0	0	109	M207	M207-H209 PolarHBondContact O-N 2.76Å
210	R	50.4	Low	52	Low	215 Å²	215	148.5 Å²	148.5	81%	0.811	76%	0.761	S	S	*	*			trans	-82.2	112.6	163.7	-66.2	-165.1	170.6	-167.2	-1.8	106.2	I208 D212	I208-R210 HydrophobicContact CG2-CG 4.46Å; I208-R210 PolarHBondContact O-N 3.19Å; R210-D212 PolarHBondContact O-N 3.39Å; R210-D212 VanDerWaalsContact O-N 3.14Å
211	D	47.2	Very low	51.3	Low	120 Å²	120	142.3 Å²	142.3	64%	0.642	74%	0.742	S	S	*	*			trans	-54.9	121.1	172.7	-80.6	-20.9	0	0	0	109.1	K213	D211-K213 PolarHBondContact O-N 2.86Å
212	D	54.4	Low	50.9	Low	167 Å²	167	145.8 Å²	145.8	89%	0.893	75%	0.747	S	S	*	*			trans	-65.2	83.6	175.6	-58.9	-39.7	0	0	0	109.7	R210	R210-D212 PolarHBondContact O-N 3.39Å; R210-D212 VanDerWaalsContact O-N 3.14Å
213	K	50.7	Low	50.5	Low	172 Å²	172	147.1 Å²	147.1	75%	0.748	74%	0.741	S	S	*	*			trans	-117.7	105.6	165.1	-74.5	-177.3	179.7	169.5	0	107.5	D211	D211-K213 PolarHBondContact O-N 2.86Å
214	K	51.7	Low	50	Low	197 Å²	197	144.1 Å²	144.1	86%	0.857	72%	0.724	S	S	*	*			trans	19.7	113	164.2	-76.5	-177	174.3	-178.4	0	114.5	V216	K214-V216 WeakPolarHBondContact O-CG2 3.43Å; K214-V216 PolarHBondContact O-N 3.06Å
215	E	42.4	Very low	49.3	Very low	201 Å²	201	147 Å²	147	94%	0.939	73%	0.731	S	S	*	*			trans	-30	99.9	168.4	-64.4	-177	172.6	0	0	112.4	K217	E215-K217 VanDerWaalsContact C-N 3.32Å; E215-K217 PolarHBondContact O-N 3.01Å; E215-K217 VanDerWaalsContact O-N 3.11Å
216	V	47	Very low	48.8	Very low	135 Å²	135	145.1 Å²	145.1	82%	0.818	73%	0.725	S	S	*	*			trans	-83.1	91	170.1	-175.8	0	0	0	0	105.8	K214 A218	K214-V216 WeakPolarHBondContact O-CG2 3.43Å; K214-V216 PolarHBondContact O-N 3.06Å; V216-A218 PolarHBondContact O-N 3.11Å
217	K	45.3	Very low	48.1	Very low	192 Å²	192	148.4 Å²	148.4	84%	0.835	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-49.5	131.7	163.4	-174.5	150.9	-179.6	158	0	108.3	E215	E215-K217 VanDerWaalsContact C-N 3.32Å; E215-K217 PolarHBondContact O-N 3.01Å; E215-K217 VanDerWaalsContact O-N 3.11Å
218	A	43.1	Very low	47.4	Very low	81 Å²	81	149.5 Å²	149.5	67%	0.669	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-50.9	133.7	176.3	0	0	0	0	0	109.3	V216 S220	V216-A218 PolarHBondContact O-N 3.11Å; A218-S220 PolarHBondContact O-N 3.22Å
219	P	50.7	Low	46.1	Very low	123 Å²	123	150.3 Å²	150.3	80%	0.799	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-60.1	119.7	-179.8	22.7	-29.7	0	0	0	108.2
220	S	50.7	Low	45.5	Very low	75 Å²	75	150.7 Å²	150.7	52%	0.524	75%	0.747	S	S	.	*	P	Polyproline II helix	trans	-53.4	137.5	172.2	178.5	0	0	0	0	108.9	A218 Y222	A218-S220 PolarHBondContact O-N 3.22Å; S220-Y222 PolarHBondContact O-N 3.41Å
221	P	43.8	Very low	44.5	Very low	73 Å²	73	149.4 Å²	149.4	47%	0.474	75%	0.75	S	S	.	*	P	Polyproline II helix	trans	-58.4	138.8	177.2	25.6	-34	0	0	0	110.3	W223 I224	P221-W223 HydrophobicContact CG-CZ2 4.24Å; P221-W223 PolarHBondContact O-N 3.2Å; P221-I224 PolarHBondContact O-N 3.24Å
222	Y	45.9	Very low	43.9	Very low	202 Å²	202	150.1 Å²	150.1	79%	0.792	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-52.1	-12.4	-167.2	179.6	-106.2	0	0	0	116.2	S220 M225	S220-Y222 PolarHBondContact O-N 3.41Å; Y222-M225 HydrophobicContact CE2-CE 4.45Å
223	W	46.1	Very low	42.8	Very low	201 Å²	201	147.8 Å²	147.8	76%	0.761	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-83	-4.9	-178.3	58.8	-94.6	0	0	0	115.2	P221	P221-W223 HydrophobicContact CG-CZ2 4.24Å; P221-W223 PolarHBondContact O-N 3.2Å
224	I	46.2	Very low	41.9	Very low	100 Å²	100	145 Å²	145	51%	0.513	76%	0.758	S	S	.	*	G	3₁₀ helix	trans	-92.9	0.5	176.4	-54.3	-173.5	0	0	0	112.6	P221 V226	P221-I224 PolarHBondContact O-N 3.24Å; I224-V226 PolarHBondContact O-N 3.32Å
225	M	40.7	Very low	41.1	Very low	135 Å²	135	140.9 Å²	140.9	67%	0.665	75%	0.754	S	S	*	*			trans	-80.7	93.3	-173.2	-136.4	173.2	68.3	0	0	112.2	Y222 K227	Y222-M225 HydrophobicContact CE2-CE 4.45Å; M225-K227 PolarHBondContact O-N 3.14Å
226	V	50.2	Low	40.6	Very low	116 Å²	116	136.2 Å²	136.2	70%	0.703	74%	0.743	S	S	*	*			trans	-66.5	121.1	157.5	173.5	0	0	0	0	107	I224 Q228	I224-V226 PolarHBondContact O-N 3.32Å; V226-Q228 PolarHBondContact O-N 3.35Å
227	K	43	Very low	40.1	Very low	182 Å²	182	136.4 Å²	136.4	79%	0.791	75%	0.745	S	S	*	*			trans	-63.7	118.7	173	-77.1	-172.1	173.4	-176.4	0	108.9	M225	M225-K227 PolarHBondContact O-N 3.14Å
228	Q	37.5	Very low	39.6	Very low	169 Å²	169	132.4 Å²	132.4	79%	0.79	74%	0.741	S	S	*	*			trans	-117.7	124.8	161.3	-76.4	-175.7	-13.9	0	0	107.7	V226	V226-Q228 PolarHBondContact O-N 3.35Å
229	D	33.7	Very low	39.6	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	74%	0.743	S	S	*	*			trans	-76.3	138.8	177.8	-54.6	-39.9	0	0	0	108.8	E231	D229-E231 PolarHBondContact O-N 3.31Å
230	N	35.2	Very low	38.8	Very low	157 Å²	157	134 Å²	134	84%	0.84	75%	0.745	S	S	*	*			trans	-72.3	114.6	-173.9	-69	-29.6	0	0	0	111.6
231	E	28.7	Very low	38.4	Very low	188 Å²	188	136 Å²	136	88%	0.879	76%	0.759	S	S	*	*			trans	-140.3	134.6	151	-73.4	-68.7	161.9	0	0	107.9	D229	D229-E231 PolarHBondContact O-N 3.31Å
232	T	34.5	Very low	38.1	Very low	134 Å²	134	140.2 Å²	140.2	82%	0.822	78%	0.777	S	S	*	*			trans	-80.2	134.8	-167.1	-49.3	0	0	0	0	110.8
233	S	31.2	Very low	37.7	Very low	119 Å²	119	134.3 Å²	134.3	83%	0.832	77%	0.77	S	S	*	*			trans	174.8	144.6	136.5	-81.1	0	0	0	0	114.2
234	S	32.7	Very low	37.1	Very low	114 Å²	114	132.9 Å²	132.9	80%	0.797	77%	0.77	S	S	*	*			trans	-59.8	145.7	-179.2	-49.5	0	0	0	0	115.5
235	S	33.8	Very low	36.7	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	78%	0.784	S	S	*	*				152.9	127.8	116.7	56	0	0	0	0	114
236	S	33.4	Very low	36.5	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	79%	0.788	S	S	*	*			trans	45.1	125.5	134.3	-45.1	0	0	0	0	123
237	T	35.2	Very low	35.9	Very low	138 Å²	138	140.8 Å²	140.8	85%	0.847	79%	0.79	S	S	*	*			trans	68.8	136.2	149	66.2	0	0	0	0	116.2
238	S	34.9	Very low	35.4	Very low	109 Å²	109	139 Å²	139	76%	0.762	79%	0.789	S	S	*	*			cis	-170.8	158.2	37.1	45.4	0	0	0	0	109.7
239	S	42.6	Very low	35.3	Very low	102 Å²	102	137 Å²	137	71%	0.713	79%	0.792	S	S	*	*			trans	10.7	124	143.8	-177.3	0	0	0	0	118.9
240	T	35.7	Very low	35.3	Very low	136 Å²	136	133.7 Å²	133.7	83%	0.834	79%	0.786	S	S	*	*				-177.5	138.4	102.8	36.2	0	0	0	0	110.7
241	S	41.6	Very low	35.3	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	79%	0.787	S	S	*	*			trans	-73.2	140.8	166.1	-45.5	0	0	0	0	110
242	D	36.7	Very low	35.5	Very low	161 Å²	161	132.7 Å²	132.7	86%	0.861	79%	0.785	S	S	*	*			trans	-166.4	130.4	130.3	-128.8	-17	0	0	0	111.4
243	A	37.1	Very low	35.6	Very low	77 Å²	77	134.2 Å²	134.2	64%	0.636	78%	0.783	S	S	*	*			trans	-101.9	100.1	172.3	0	0	0	0	0	107.6	W245	A243-W245 PolarHBondContact O-N 3.32Å
244	F	34.3	Very low	35.8	Very low	172 Å²	172	137.5 Å²	137.5	75%	0.754	79%	0.785	S	S	*	*			trans	-85.1	99	178	-161.8	-104.7	0	0	0	109.6	L246	F244-L246 HydrophobicContact CD1-CD1 4.33Å; F244-L246 HydrophobicContact CD1-CG 4.07Å; F244-L246 HydrophobicContact CE1-CD1 4.01Å; F244-L246 HydrophobicContact CE1-CD2 4.29Å; F244-L246 HydrophobicContact CE1-CG 3.67Å
245	W	37.2	Very low	35.8	Very low	216 Å²	216	135.5 Å²	135.5	82%	0.818	78%	0.782	S	S	*	*			trans	-76	116.7	164.9	-69.3	96.2	0	0	0	108.7	A243 E247	A243-W245 PolarHBondContact O-N 3.32Å; W245-E247 PolarHBondContact O-N 3.32Å
246	L	36.8	Very low	35.9	Very low	142 Å²	142	140.2 Å²	140.2	74%	0.743	79%	0.789	S	S	*	*			trans	-87.9	83	164	-102.5	161.6	0	0	0	108.5	F244	F244-L246 HydrophobicContact CD1-CD1 4.33Å; F244-L246 HydrophobicContact CD1-CG 4.07Å; F244-L246 HydrophobicContact CE1-CD1 4.01Å; F244-L246 HydrophobicContact CE1-CD2 4.29Å; F244-L246 HydrophobicContact CE1-CG 3.67Å
247	E	37.7	Very low	35.9	Very low	159 Å²	159	140.2 Å²	140.2	74%	0.743	80%	0.795	S	S	*	*			trans	-80.8	116.6	154.2	-128.1	80.5	170.3	0	0	106.9	W245	W245-E247 PolarHBondContact O-N 3.32Å
248	D	32.9	Very low	36.3	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	80%	0.796	S	S	*	*			trans	-145.7	111.8	155.7	-152.7	1.1	0	0	0	111.1
249	C	34.7	Very low	36.9	Very low	127 Å²	127	143.3 Å²	143.3	86%	0.858	80%	0.799	S	S	*	*			trans	-138.6	112.9	165.8	-90.9	0	0	0	0	108.6
250	A	33.9	Very low	36.8	Very low	82 Å²	82	145.2 Å²	145.2	68%	0.678	81%	0.805	S	S	*	*			trans	83.8	105.8	150	0	0	0	0	0	120.3
251	Q	35.8	Very low	36.9	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	80%	0.801	S	S	*	*				51.3	126	123.4	-60	178.4	36.6	0	0	119.6
252	V	33.3	Very low	36.9	Very low	138 Å²	138	147.6 Å²	147.6	84%	0.836	80%	0.803	S	S	*	*				174.8	164.3	90.9	88.9	0	0	0	0	110.6
253	E	36.3	Very low	36.9	Very low	166 Å²	166	147.4 Å²	147.4	78%	0.776	81%	0.807	S	S	*	*			trans	-63.3	173.5	-160.8	-63	-169.7	122.4	0	0	121.7
254	E	34.2	Very low	36.7	Very low	188 Å²	188	150.8 Å²	150.8	88%	0.879	85%	0.849	S	S	*	*			trans	88	130.7	153.9	-57.8	-160.3	152.1	0	0	116.9
255	G	32.8	Very low	36.8	Very low	71 Å²	71	149.7 Å²	149.7	73%	0.732	85%	0.854	S	S	*	*			cis	170.5	150.8	3.5	0	0	0	0	0	109.9
256	K	35.8	Very low	36.8	Very low	210 Å²	210	146.2 Å²	146.2	91%	0.913	86%	0.856	S	S	*	*			trans	61.3	101.7	160.1	-79	-178.2	172.7	175	0	121.4
257	A	33.7	Very low	36.8	Very low	102 Å²	102	146.4 Å²	146.4	84%	0.843	86%	0.862	S	S	*	*				43.4	126.8	113.1	0	0	0	0	0	121.3
258	Q	43.8	Very low	36.8	Very low	189 Å²	189	145.7 Å²	145.7	88%	0.883	87%	0.869	S	S	*	*			trans	-149.4	128.6	150.3	-152	172.2	-7.2	0	0	110.2
259	P	47.5	Very low	37	Very low	124 Å²	124	145.8 Å²	145.8	81%	0.805	88%	0.875	S	S	*	*			trans	-93.2	151.2	176	34.3	-30.3	0	0	0	113
260	V	40.5	Very low	37.1	Very low	141 Å²	141	147.1 Å²	147.1	86%	0.855	88%	0.877	S	S	*	*			trans	-59	144.1	177.9	168.1	0	0	0	0	113.7
261	S	38.9	Very low	37.4	Very low	107 Å²	107	151.7 Å²	151.7	75%	0.748	89%	0.891	S	S	*	*			trans	-155.8	122.5	138.9	61	0	0	0	0	114.4
262	K	40.3	Very low	37.5	Very low	197 Å²	197	149 Å²	149	86%	0.857	89%	0.892	S	S	*	*			trans	47.8	136.7	137.7	-65.6	-179.5	175.8	-179.1	0	121.6
263	V	36.7	Very low	37.8	Very low	156 Å²	156	149.9 Å²	149.9	95%	0.945	90%	0.897	S	S	*	*				-164.3	135.9	104	151.8	0	0	0	0	108.9
264	G	33.8	Very low	38	Very low	148 Å²	148	148.5 Å²	148.5	100%	1.526	91%	0.908	S	S	*	*			trans	155.2	0	-178.3	0	0	0	0	0	108.9

Retrieved 264 of 264 residues in 453.1 ms (Link to these results)

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