A0A096NQN3_PAPAN Loading...

ETS translocation variant 3

Transcriptional repressor that contribute to growth arrest during terminal macrophage differentiation by repressing target genes involved in Ras-dependent proliferation. Represses MMP1 promoter activity.

AlphaFold DB , UniProt , Accession A0A096NQN3, Species PAPAN (Papio anubis, Olive baboon), Gene ETV3, Length 511 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	34.8	Very low	39.4	Very low	252 Å²	252	144.9 Å²	144.9	100%	1.241	83%	0.833	S	S	*	*				0	142.7	0	-68.2	151.7	172.1	0	0	108.9
2	K	36.8	Very low	39.7	Very low	207 Å²	207	145.9 Å²	145.9	90%	0.9	83%	0.825	S	S	*	*			trans	-139.4	97	-178.8	-172.4	175.7	-177.2	179.3	0	108.2	G4	K2-G4 PolarHBondContact O-N 2.92Å
3	A	46.4	Very low	40.4	Very low	106 Å²	106	141.2 Å²	141.2	88%	0.876	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-66.1	121.6	-173.3	0	0	0	0	0	111
4	G	35.5	Very low	40.1	Very low	72 Å²	72	136.7 Å²	136.7	74%	0.742	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-70.8	138.4	163.9	0	0	0	0	0	109.4	K2 S6	K2-G4 PolarHBondContact O-N 2.92Å; G4-S6 PolarHBondContact O-N 3.5Å
5	C	35.6	Very low	40	Very low	133 Å²	133	132 Å²	132	90%	0.899	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-77.6	117.5	167.2	-166	0	0	0	0	107.1
6	S	34.6	Very low	39.7	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-61	139.9	178.2	40.9	0	0	0	0	110.7	G4	G4-S6 PolarHBondContact O-N 3.5Å
7	I	42	Very low	39.8	Very low	160 Å²	160	131.2 Å²	131.2	82%	0.821	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-65.4	135.8	162.3	-170.1	163.9	0	0	0	107.6
8	V	47.1	Very low	39.8	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.715	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-95.6	131.1	176.9	66.7	0	0	0	0	109
9	E	41	Very low	40.1	Very low	165 Å²	165	130.4 Å²	130.4	77%	0.771	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-61.6	157.1	179.5	-71.5	-82.2	90	0	0	112	P11	E9-P11 VanDerWaalsContact O-CD 3.28Å; E9-P11 WeakPolarHBondContact O-CD 3.09Å
10	K	39.1	Very low	40.8	Very low	153 Å²	153	126.3 Å²	126.3	67%	0.665	76%	0.761	S	S	*	*			trans	-80.1	113.8	175.8	175.2	-156.9	179.7	-169.2	0	109.9	E12	K10-E12 HydrophobicContact CD-CG 4.22Å; K10-E12 WeakPolarHBondContact CE-OE1 3.18Å; K10-E12 IonicContact NZ-OE1 2.63Å; K10-E12 PolarHBondContact NZ-OE1 2.79Å; K10-E12 PolarHBondContact O-N 3.45Å
11	P	41	Very low	40.8	Very low	121 Å²	121	126.4 Å²	126.4	79%	0.786	76%	0.757	S	S	*	*			trans	-69.9	129.5	163.8	29.6	-32.6	0	0	0	109.6	E9	E9-P11 VanDerWaalsContact O-CD 3.28Å; E9-P11 WeakPolarHBondContact O-CD 3.09Å
12	E	43.1	Very low	41.6	Very low	157 Å²	157	116.2 Å²	116.2	73%	0.734	71%	0.705	S	S	*	*			trans	-94.5	141.3	168.8	-59.6	-149.2	133.3	0	0	110.8	K10	K10-E12 HydrophobicContact CD-CG 4.22Å; K10-E12 WeakPolarHBondContact CE-OE1 3.18Å; K10-E12 IonicContact NZ-OE1 2.63Å; K10-E12 PolarHBondContact NZ-OE1 2.79Å; K10-E12 PolarHBondContact O-N 3.45Å
13	G	48.2	Very low	42.2	Very low	84 Å²	84	107.8 Å²	107.8	87%	0.866	67%	0.674	S	S	*	*			trans	97.2	107.4	179	0	0	0	0	0	113.8
14	G	35.7	Very low	42.4	Very low	79 Å²	79	107.9 Å²	107.9	81%	0.814	65%	0.653	S	S	*	*			trans	164.8	83.4	175.7	0	0	0	0	0	116
15	G	38.6	Very low	42.8	Very low	66 Å²	66	109.2 Å²	109.2	68%	0.68	64%	0.638	S	S	*	*			trans	67.2	69.4	148.1	0	0	0	0	0	120	Y17	G15-Y17 VanDerWaalsContact C-N 3.33Å; G15-Y17 PolarHBondContact O-N 3.36Å
16	G	35.4	Very low	43.1	Very low	83 Å²	83	108.2 Å²	108.2	86%	0.856	63%	0.628	S	S	*	*	S	Bend	trans	68.4	-6.2	130.4	0	0	0	0	0	121.9
17	Y	41	Very low	43.7	Very low	168 Å²	168	108.4 Å²	108.4	66%	0.659	62%	0.617	S	S	*	*			trans	-116.6	83.9	-179.2	-65.2	-72.5	0	0	0	112.7	G15 F19	G15-Y17 VanDerWaalsContact C-N 3.33Å; G15-Y17 PolarHBondContact O-N 3.36Å; Y17-F19 VanDerWaalsContact O-CD2 3.31Å; Y17-F19 WeakPolarHBondContact O-CD2 3.27Å; Y17-F19 PolarHBondContact O-N 2.84Å; Y17-F19 VanDerWaalsContact O-N 3.1Å
18	Q	41.4	Very low	44	Very low	185 Å²	185	101.8 Å²	101.8	86%	0.864	59%	0.585	S	S	*	*			trans	-79	91.2	175.7	-170.1	167.1	3.8	0	0	110.9
19	F	44.3	Very low	44.1	Very low	62 Å²	62	98.1 Å²	98.1	27%	0.272	57%	0.565	S	S	.	*			trans	-69.9	146.5	172.3	-65	-79	0	0	0	111.5	Y17 F117	Y17-F19 VanDerWaalsContact O-CD2 3.31Å; Y17-F19 WeakPolarHBondContact O-CD2 3.27Å; Y17-F19 PolarHBondContact O-N 2.84Å; Y17-F19 VanDerWaalsContact O-N 3.1Å; F19-F117 HydrophobicContact CE1-CE1 4.25Å
20	P	54.3	Low	44.8	Very low	48 Å²	48	94.2 Å²	94.2	31%	0.312	55%	0.554	S	S	.	*			trans	-65.2	147.4	-175.2	-21.6	33.2	0	0	0	113.9	W22 A23	P20-W22 PolarHBondContact O-N 2.63Å; P20-A23 VanDerWaalsContact O-CB 3.32Å; P20-A23 WeakPolarHBondContact O-CB 3.42Å; P20-A23 PolarHBondContact O-N 2.87Å
21	D	41.2	Very low	45.6	Very low	128 Å²	128	89.5 Å²	89.5	68%	0.684	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-56.4	-22.8	-172.2	-56.4	-33.4	0	0	0	115.3	A23 Y24 K25	D21-A23 PolarHBondContact O-N 3.16Å; D21-Y24 PolarHBondContact O-N 2.62Å; D21-K25 PolarHBondContact O-N 3.08Å
22	W	50.8	Low	46.9	Very low	39 Å²	39	85 Å²	85	15%	0.148	52%	0.52	C	S	.	.	G	3₁₀ helix	trans	-62.6	-25	174.9	70	-107.7	0	0	0	112.9	P20 Y24 K25 W38 L120 N124	P20-W22 PolarHBondContact O-N 2.63Å; W22-Y24 PolarHBondContact O-N 3.21Å; W22-K25 WeakPolarHBondContact O-CG 3.42Å; W22-W38 HydrophobicContact CH2-CH2 4.08Å; W22-W38 AromaticContact CZ3-CH2 3.96Å; W22-W38 HydrophobicContact CZ3-CH2 3.96Å; W22-L120 WeakPolarHBondContact CH2-O 3.03Å; W22-L120 VanDerWaalsContact CZ2-O 3.23Å; W22-L120 WeakPolarHBondContact CZ2-O 3.28Å; W22-N124 HydrophobicContact CD2-CB 3.63Å; W22-N124 HydrophobicContact CE3-CB 3.76Å; W22-N124 HydrophobicContact CG-CB 4.02Å; W22-N124 HydrophobicContact CH2-CB 4.47Å; W22-N124 HydrophobicContact CZ2-CB 4.33Å; W22-N124 HydrophobicContact CZ3-CB 4.19Å
23	A	49.6	Very low	48.3	Very low	30 Å²	30	85.7 Å²	85.7	25%	0.248	52%	0.516	C	S	.	.	G	3₁₀ helix	trans	-68.1	-25.2	172.6	0	0	0	0	0	112.5	P20 D21	P20-A23 VanDerWaalsContact O-CB 3.32Å; P20-A23 WeakPolarHBondContact O-CB 3.42Å; P20-A23 PolarHBondContact O-N 2.87Å; D21-A23 PolarHBondContact O-N 3.16Å
24	Y	51	Low	50	Low	107 Å²	107	88.6 Å²	88.6	42%	0.42	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-100	10.9	-178.1	-58.2	-64.3	0	0	0	114	D21 W22 Q46	D21-Y24 PolarHBondContact O-N 2.62Å; W22-Y24 PolarHBondContact O-N 3.21Å; Y24-Q46 PolarHBondContact OH-NE2 2.82Å
25	K	43	Very low	52.5	Low	100 Å²	100	85.1 Å²	85.1	44%	0.435	47%	0.469	S	S	.	.			trans	-48.9	149.8	176.6	-82.9	-175.5	175.6	-173.6	0	112.9	D21 W22 E27 S28 S29	D21-K25 PolarHBondContact O-N 3.08Å; W22-K25 WeakPolarHBondContact O-CG 3.42Å; K25-E27 PolarHBondContact O-N 2.84Å; K25-S28 CarbonylContact O-C 3.39Å; K25-S28 VanDerWaalsContact O-CA 3.25Å; K25-S28 WeakPolarHBondContact O-CA 3.38Å; K25-S28 VanDerWaalsContact O-CB 3.29Å; K25-S28 WeakPolarHBondContact O-CB 3.26Å; K25-S28 PolarHBondContact O-N 3.05Å; K25-S29 PolarHBondContact O-N 2.8Å
26	T	42.8	Very low	55.1	Low	113 Å²	113	86.3 Å²	86.3	69%	0.693	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-60.9	-37.9	-172.3	37.3	0	0	0	0	114.1	S28 S29	T26-S28 PolarHBondContact O-N 2.87Å; T26-S29 WeakPolarHBondContact CA-OG 3.47Å; T26-S29 PolarHBondContact O-N 2.83Å; T26-S29 PolarHBondContact O-OG 2.89Å
27	E	47.2	Very low	57.9	Low	110 Å²	110	82.5 Å²	82.5	51%	0.514	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-68.5	-16.1	170	44	-81.1	160.4	0	0	114.5	K25 S32	K25-E27 PolarHBondContact O-N 2.84Å; E27-S32 VanDerWaalsContact O-CB 3.26Å; E27-S32 WeakPolarHBondContact O-CB 3.45Å; E27-S32 PolarHBondContact O-OG 3.15Å
28	S	48.2	Very low	60.4	Low	22 Å²	22	75.4 Å²	75.4	15%	0.154	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-97.9	-9	174	-66	0	0	0	0	114.1	K25 T26	K25-S28 CarbonylContact O-C 3.39Å; K25-S28 VanDerWaalsContact O-CA 3.25Å; K25-S28 WeakPolarHBondContact O-CA 3.38Å; K25-S28 VanDerWaalsContact O-CB 3.29Å; K25-S28 WeakPolarHBondContact O-CB 3.26Å; K25-S28 PolarHBondContact O-N 3.05Å; T26-S28 PolarHBondContact O-N 2.87Å
29	S	50	Low	62.8	Low	41 Å²	41	67.9 Å²	67.9	29%	0.287	35%	0.354	S	S	.	.	S	Bend	trans	-51.9	149.8	-170	-65.2	0	0	0	0	114.4	K25 T26 G31 S32	K25-S29 PolarHBondContact O-N 2.8Å; T26-S29 WeakPolarHBondContact CA-OG 3.47Å; T26-S29 PolarHBondContact O-N 2.83Å; T26-S29 PolarHBondContact O-OG 2.89Å; S29-G31 VanDerWaalsContact C-N 3.31Å; S29-G31 PolarHBondContact O-N 2.6Å; S29-S32 WeakPolarHBondContact O-CB 3.41Å; S29-S32 PolarHBondContact O-N 3.12Å
30	P	54.2	Low	65.2	Low	83 Å²	83	65.1 Å²	65.1	54%	0.539	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	81.1	176	-27.3	37.5	0	0	0	114.5	E43	P30-E43 HydrophobicContact CG-CG 4.5Å
31	G	57.5	Low	67.2	Low	54 Å²	54	62.8 Å²	62.8	56%	0.557	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.6	-21.9	-172.9	0	0	0	0	0	113.3	S29 R33	S29-G31 VanDerWaalsContact C-N 3.31Å; S29-G31 PolarHBondContact O-N 2.6Å; G31-R33 PolarHBondContact O-N 3.09Å
32	S	67.3	Low	69.6	Low	27 Å²	27	58.4 Å²	58.4	19%	0.189	30%	0.304	C	S	.	.			trans	-57.4	128	172.5	171.8	0	0	0	0	111.2	E27 S29 Q34 I35	E27-S32 VanDerWaalsContact O-CB 3.26Å; E27-S32 WeakPolarHBondContact O-CB 3.45Å; E27-S32 PolarHBondContact O-OG 3.15Å; S29-S32 WeakPolarHBondContact O-CB 3.41Å; S29-S32 PolarHBondContact O-N 3.12Å; S32-Q34 PolarHBondContact O-N 3.19Å; S32-Q34 PolarHBondContact OG-N 3.26Å; S32-I35 VanDerWaalsContact O-CG2 3.27Å; S32-I35 WeakPolarHBondContact O-CG2 3.18Å
33	R	72.2	Confident	71.6	Confident	171 Å²	171	57.3 Å²	57.3	65%	0.645	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.9	171.8	-64.8	-178	-178.1	-129.8	-6.2	112.5	G31 K80 C81	G31-R33 PolarHBondContact O-N 3.09Å; R33-K80 WeakPolarHBondContact O-CD 3.24Å; R33-K80 WeakPolarHBondContact O-CE 3.12Å; R33-K80 PolarHBondContact O-NZ 3.34Å; R33-C81 VanDerWaalsContact CZ-SG 3.52Å; R33-C81 PolarHBondContact NH1-SG 2.82Å; R33-C81 PolarHBondContact NH2-SG 3.49Å
34	Q	84.4	Confident	73.7	Confident	145 Å²	145	56.1 Å²	56.1	68%	0.678	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-13	-178	-171.4	59.3	-7.3	0	0	114	S32 K80	S32-Q34 PolarHBondContact O-N 3.19Å; S32-Q34 PolarHBondContact OG-N 3.26Å; Q34-K80 PolarHBondContact O-NZ 3.48Å
35	I	88.9	Confident	75.7	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.026	27%	0.272	C	S	.	.			trans	-44.4	140.3	177.4	-166.7	172.4	0	0	0	113.5	S32 H39 F40 W76 R79 K80	S32-I35 VanDerWaalsContact O-CG2 3.27Å; S32-I35 WeakPolarHBondContact O-CG2 3.18Å; I35-H39 HydrophobicContact CD1-CB 4.13Å; I35-H39 HydrophobicContact CG1-CB 3.74Å; I35-F40 HydrophobicContact CD1-CB 4.05Å; I35-F40 HydrophobicContact CG1-CB 4.41Å; I35-W76 HydrophobicContact CG2-CZ3 4.12Å; I35-W76 WeakPolarHBondContact O-CH2 3.31Å; I35-R79 HydrophobicContact CG2-CG 3.79Å; I35-K80 WeakPolarHBondContact O-CE 3.37Å; I35-K80 PolarHBondContact O-NZ 2.84Å
36	Q	92.3	Very high	77.9	Confident	92 Å²	92	51.9 Å²	51.9	43%	0.43	28%	0.275	S	S	.	.			trans	-88.1	154.5	177.2	-52.7	-175.3	17.7	0	0	111.1	W38 H39 F40	Q36-W38 VanDerWaalsContact C-N 3.27Å; Q36-W38 PolarHBondContact O-N 2.74Å; Q36-H39 PolarHBondContact O-N 3.29Å; Q36-H39 VanDerWaalsContact O-N 3.15Å; Q36-F40 PolarHBondContact O-N 2.79Å
37	L	94.3	Very high	80.1	Confident	3 Å²	3	50 Å²	50	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-57.2	-38.9	-176	174	64.6	0	0	0	112.7	F40 I41 W76 L90 A93 L94 Y97	L37-F40 HydrophobicContact CD1-CD1 4.2Å; L37-F40 PolarHBondContact O-N 3.16Å; L37-I41 HydrophobicContact CD1-CD1 3.95Å; L37-I41 HydrophobicContact CD1-CG1 4.19Å; L37-I41 HydrophobicContact CG-CD1 3.9Å; L37-I41 WeakPolarHBondContact O-CG1 3.49Å; L37-I41 PolarHBondContact O-N 2.7Å; L37-W76 HydrophobicContact CB-CH2 3.97Å; L37-W76 HydrophobicContact CB-CZ2 3.79Å; L37-W76 HydrophobicContact CD1-CD2 3.78Å; L37-W76 HydrophobicContact CD1-CE3 4.17Å; L37-W76 HydrophobicContact CD1-CG 4.01Å; L37-W76 HydrophobicContact CD1-CZ2 4.3Å; L37-L90 HydrophobicContact CD1-CD1 3.91Å; L37-L90 HydrophobicContact CD1-CD2 4.19Å; L37-L90 HydrophobicContact CD1-CG 3.84Å; L37-L90 HydrophobicContact CD2-CD2 3.94Å; L37-L90 HydrophobicContact CD2-CG 3.85Å; L37-A93 HydrophobicContact CD2-CB 3.61Å; L37-L94 HydrophobicContact CD2-CD2 3.86Å; L37-L94 HydrophobicContact CD2-CG 4.2Å; L37-L94 HydrophobicContact CG-CD2 4.44Å; L37-Y97 HydrophobicContact CB-CE2 4.11Å; L37-Y97 HydrophobicContact CD2-CE2 4.28Å; L37-Y97 HydrophobicContact CG-CE2 4.36Å
38	W	93.6	Very high	82.1	Confident	19 Å²	19	50.8 Å²	50.8	7%	0.072	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-37.5	179.7	71.3	-93	0	0	0	113	W22 Q36 I41 L42 Y97 I102 F115 L120	W22-W38 HydrophobicContact CH2-CH2 4.08Å; W22-W38 AromaticContact CZ3-CH2 3.96Å; W22-W38 HydrophobicContact CZ3-CH2 3.96Å; Q36-W38 VanDerWaalsContact C-N 3.27Å; Q36-W38 PolarHBondContact O-N 2.74Å; W38-I41 PolarHBondContact O-N 3.31Å; W38-L42 HydrophobicContact CE3-CD1 3.81Å; W38-L42 HydrophobicContact CZ3-CD1 3.79Å; W38-L42 PolarHBondContact O-N 3.43Å; W38-L42 VanDerWaalsContact O-N 3.11Å; W38-Y97 HydrophobicContact CB-CD2 4.29Å; W38-Y97 HydrophobicContact CB-CE2 3.84Å; W38-Y97 AromaticContact CD1-CE1 3.97Å; W38-Y97 AromaticContact CD1-CZ 3.72Å; W38-Y97 HydrophobicContact CG-CE2 4.47Å; W38-I102 HydrophobicContact CB-CG2 4.05Å; W38-I102 HydrophobicContact CD2-CG2 4.32Å; W38-I102 HydrophobicContact CG-CG2 3.98Å; W38-F115 HydrophobicContact CB-CE1 4.27Å; W38-F115 HydrophobicContact CE3-CE1 4.3Å; W38-L120 HydrophobicContact CD2-CD2 4.43Å; W38-L120 HydrophobicContact CE3-CD1 4.26Å; W38-L120 HydrophobicContact CE3-CD2 4.16Å; W38-L120 HydrophobicContact CH2-CD2 3.7Å; W38-L120 HydrophobicContact CZ2-CD2 4Å; W38-L120 HydrophobicContact CZ3-CD1 4.09Å; W38-L120 HydrophobicContact CZ3-CD2 3.8Å; W38-L120 HydrophobicContact CZ3-CG 4.48Å
39	H	92.5	Very high	84.2	Confident	26 Å²	26	56.5 Å²	56.5	12%	0.12	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-44.1	170.6	-68.9	111	0	0	0	111	I35 Q36 I41 L42 E43	I35-H39 HydrophobicContact CD1-CB 4.13Å; I35-H39 HydrophobicContact CG1-CB 3.74Å; Q36-H39 PolarHBondContact O-N 3.29Å; Q36-H39 VanDerWaalsContact O-N 3.15Å; H39-I41 VanDerWaalsContact C-N 3.33Å; H39-I41 PolarHBondContact O-N 2.68Å; H39-L42 WeakPolarHBondContact O-CB 3.28Å; H39-L42 PolarHBondContact O-N 3.38Å; H39-E43 PolarHBondContact O-N 2.67Å
40	F	94.1	Very high	86.2	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-37.1	177.7	169.8	-99.5	0	0	0	112.7	I35 Q36 L37 E43 L44 L75 W76 R79	I35-F40 HydrophobicContact CD1-CB 4.05Å; I35-F40 HydrophobicContact CG1-CB 4.41Å; Q36-F40 PolarHBondContact O-N 2.79Å; L37-F40 HydrophobicContact CD1-CD1 4.2Å; L37-F40 PolarHBondContact O-N 3.16Å; F40-E43 PolarHBondContact O-N 3.29Å; F40-L44 HydrophobicContact CD1-CD1 4.33Å; F40-L44 HydrophobicContact CE1-CD1 3.56Å; F40-L44 HydrophobicContact CE1-CG 4.09Å; F40-L44 HydrophobicContact CE2-CD1 4.48Å; F40-L44 HydrophobicContact CE2-CD2 4.25Å; F40-L44 HydrophobicContact CE2-CG 4.24Å; F40-L44 HydrophobicContact CZ-CD1 3.66Å; F40-L44 HydrophobicContact CZ-CD2 4.08Å; F40-L44 HydrophobicContact CZ-CG 3.9Å; F40-L44 PolarHBondContact O-N 2.86Å; F40-L75 HydrophobicContact CZ-CB 3.85Å; F40-W76 HydrophobicContact CB-CE3 3.89Å; F40-W76 HydrophobicContact CB-CZ3 3.63Å; F40-W76 HydrophobicContact CD1-CB 4.28Å; F40-W76 HydrophobicContact CD1-CD2 4.2Å; F40-W76 AromaticContact CD1-CE3 3.45Å; F40-W76 HydrophobicContact CD1-CE3 3.45Å; F40-W76 VanDerWaalsContact CD1-CE3 3.45Å; F40-W76 HydrophobicContact CD1-CZ3 4.11Å; F40-W76 HydrophobicContact CD2-CE3 4.11Å; F40-W76 HydrophobicContact CD2-CZ3 4.44Å; F40-W76 HydrophobicContact CE1-CB 3.7Å; F40-W76 HydrophobicContact CE1-CD2 4.47Å; F40-W76 AromaticContact CE1-CE3 3.96Å; F40-W76 HydrophobicContact CE1-CE3 3.96Å; F40-W76 HydrophobicContact CE1-CG 4.43Å; F40-W76 AromaticContact CG-CE3 3.53Å; F40-W76 HydrophobicContact CG-CE3 3.53Å; F40-W76 AromaticContact CG-CZ3 3.8Å; F40-W76 HydrophobicContact CG-CZ3 3.8Å; F40-W76 HydrophobicContact CZ-CB 4.21Å; F40-W76 HydrophobicContact CZ-CE3 4.47Å; F40-R79 HydrophobicContact CD2-CB 4.26Å; F40-R79 HydrophobicContact CD2-CG 4.05Å; F40-R79 HydrophobicContact CE2-CB 3.99Å; F40-R79 HydrophobicContact CE2-CG 4.26Å
41	I	95.5	Very high	87.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-40.4	174.2	-75.8	169.2	0	0	0	111.4	L37 W38 H39 E43 L44 L45 I54 F64 L94 F115	L37-I41 HydrophobicContact CD1-CD1 3.95Å; L37-I41 HydrophobicContact CD1-CG1 4.19Å; L37-I41 HydrophobicContact CG-CD1 3.9Å; L37-I41 WeakPolarHBondContact O-CG1 3.49Å; L37-I41 PolarHBondContact O-N 2.7Å; W38-I41 PolarHBondContact O-N 3.31Å; H39-I41 VanDerWaalsContact C-N 3.33Å; H39-I41 PolarHBondContact O-N 2.68Å; I41-E43 VanDerWaalsContact C-N 3.34Å; I41-L44 PolarHBondContact O-N 2.99Å; I41-L45 HydrophobicContact CG2-CD1 3.76Å; I41-L45 WeakPolarHBondContact O-CB 3.27Å; I41-L45 WeakPolarHBondContact O-CD1 3.19Å; I41-L45 VanDerWaalsContact O-CG 3.31Å; I41-L45 WeakPolarHBondContact O-CG 3.2Å; I41-L45 PolarHBondContact O-N 3.41Å; I41-I54 HydrophobicContact CG2-CD1 3.94Å; I41-F64 HydrophobicContact CG2-CD2 4.35Å; I41-F64 HydrophobicContact CG2-CE1 4.27Å; I41-F64 HydrophobicContact CG2-CE2 3.7Å; I41-F64 HydrophobicContact CG2-CZ 3.64Å; I41-L94 HydrophobicContact CD1-CD2 3.64Å; I41-F115 HydrophobicContact CB-CZ 4.35Å; I41-F115 HydrophobicContact CG2-CE2 3.85Å; I41-F115 HydrophobicContact CG2-CZ 3.77Å
42	L	92.6	Very high	89.6	Confident	36 Å²	36	62 Å²	62	19%	0.188	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-41.4	172.2	-68.3	171.5	0	0	0	111.6	W38 H39 L44 L45 Q46 W56 F115 F117	W38-L42 HydrophobicContact CE3-CD1 3.81Å; W38-L42 HydrophobicContact CZ3-CD1 3.79Å; W38-L42 PolarHBondContact O-N 3.43Å; W38-L42 VanDerWaalsContact O-N 3.11Å; H39-L42 WeakPolarHBondContact O-CB 3.28Å; H39-L42 PolarHBondContact O-N 3.38Å; L42-L44 PolarHBondContact O-N 3.25Å; L42-L45 PolarHBondContact O-N 2.83Å; L42-Q46 WeakPolarHBondContact O-CB 3.43Å; L42-Q46 PolarHBondContact O-N 3.48Å; L42-W56 HydrophobicContact CD2-CH2 3.77Å; L42-W56 HydrophobicContact CD2-CZ2 4.08Å; L42-F115 HydrophobicContact CD1-CE1 4.09Å; L42-F115 HydrophobicContact CD1-CZ 4.36Å; L42-F115 HydrophobicContact CD2-CD1 4.2Å; L42-F115 HydrophobicContact CD2-CD2 3.96Å; L42-F115 HydrophobicContact CD2-CE1 3.85Å; L42-F115 HydrophobicContact CD2-CE2 3.58Å; L42-F115 HydrophobicContact CD2-CG 4.26Å; L42-F115 HydrophobicContact CD2-CZ 3.53Å; L42-F115 HydrophobicContact CG-CE1 3.81Å; L42-F115 HydrophobicContact CG-CE2 4.15Å; L42-F115 HydrophobicContact CG-CZ 3.58Å; L42-F117 HydrophobicContact CD2-CE1 4.32Å
43	E	91.9	Very high	91	Very high	16 Å²	16	60.7 Å²	60.7	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-38.7	177.1	-162.7	-154.4	127.4	0	0	112.6	P30 H39 F40 I41 K47 R79	P30-E43 HydrophobicContact CG-CG 4.5Å; H39-E43 PolarHBondContact O-N 2.67Å; F40-E43 PolarHBondContact O-N 3.29Å; I41-E43 VanDerWaalsContact C-N 3.34Å; E43-K47 WeakPolarHBondContact O-CG 3.46Å; E43-K47 IonicContact OE1-NZ 2.68Å; E43-K47 PolarHBondContact OE1-NZ 3.19Å; E43-R79 IonicContact OE1-CZ 2.92Å; E43-R79 IonicContact OE1-NH2 2.74Å; E43-R79 PolarHBondContact OE1-NH2 3.05Å; E43-R79 IonicContact OE2-CZ 3.16Å; E43-R79 IonicContact OE2-NH1 2.6Å; E43-R79 PolarHBondContact OE2-NH1 3.4Å; E43-R79 IonicContact OE2-NH2 2.62Å; E43-R79 PolarHBondContact OE2-NH2 3.22Å
44	L	94	Very high	92.1	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-67.3	-40.9	172.5	-68.5	-175.8	0	0	0	111.8	F40 I41 L42 Q46 K47 F50 I54 V72 L75	F40-L44 HydrophobicContact CD1-CD1 4.33Å; F40-L44 HydrophobicContact CE1-CD1 3.56Å; F40-L44 HydrophobicContact CE1-CG 4.09Å; F40-L44 HydrophobicContact CE2-CD1 4.48Å; F40-L44 HydrophobicContact CE2-CD2 4.25Å; F40-L44 HydrophobicContact CE2-CG 4.24Å; F40-L44 HydrophobicContact CZ-CD1 3.66Å; F40-L44 HydrophobicContact CZ-CD2 4.08Å; F40-L44 HydrophobicContact CZ-CG 3.9Å; F40-L44 PolarHBondContact O-N 2.86Å; I41-L44 PolarHBondContact O-N 2.99Å; L42-L44 PolarHBondContact O-N 3.25Å; L44-Q46 VanDerWaalsContact C-N 3.28Å; L44-Q46 PolarHBondContact O-N 2.87Å; L44-K47 PolarHBondContact O-N 2.62Å; L44-F50 HydrophobicContact CD2-CD2 3.83Å; L44-F50 HydrophobicContact CD2-CE2 4.07Å; L44-F50 HydrophobicContact CD2-CG 4.08Å; L44-I54 HydrophobicContact CB-CG2 3.76Å; L44-I54 HydrophobicContact CD1-CG2 4.29Å; L44-V72 HydrophobicContact CD1-CG1 4.35Å; L44-L75 HydrophobicContact CD1-CD1 4.37Å; L44-L75 HydrophobicContact CD2-CD1 4.19Å
45	L	92.8	Very high	92.6	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-70.1	-20.5	-179.8	-79.5	167	0	0	0	114.3	I41 L42 I54 A55 W56 F64 F115	I41-L45 HydrophobicContact CG2-CD1 3.76Å; I41-L45 WeakPolarHBondContact O-CB 3.27Å; I41-L45 WeakPolarHBondContact O-CD1 3.19Å; I41-L45 VanDerWaalsContact O-CG 3.31Å; I41-L45 WeakPolarHBondContact O-CG 3.2Å; I41-L45 PolarHBondContact O-N 3.41Å; L42-L45 PolarHBondContact O-N 2.83Å; L45-I54 HydrophobicContact CD1-CD1 4.45Å; L45-I54 HydrophobicContact CD2-CD1 4.39Å; L45-I54 HydrophobicContact CD2-CG1 3.9Å; L45-I54 HydrophobicContact CG-CD1 4.13Å; L45-I54 HydrophobicContact CG-CG1 4.18Å; L45-A55 VanDerWaalsContact CD2-C 3.41Å; L45-W56 HydrophobicContact CB-CZ2 3.76Å; L45-W56 HydrophobicContact CD1-CD2 4.37Å; L45-W56 HydrophobicContact CD1-CE3 4.37Å; L45-W56 HydrophobicContact CD1-CH2 3.78Å; L45-W56 HydrophobicContact CD1-CZ2 3.78Å; L45-W56 HydrophobicContact CD1-CZ3 4.08Å; L45-W56 HydrophobicContact CD2-CD2 4.18Å; L45-W56 HydrophobicContact CD2-CG 4.27Å; L45-W56 HydrophobicContact CG-CZ2 4.29Å; L45-W56 PolarHBondContact O-NE1 2.95Å; L45-F64 HydrophobicContact CD1-CB 3.76Å; L45-F64 HydrophobicContact CD1-CD1 4.07Å; L45-F64 HydrophobicContact CD1-CD2 3.92Å; L45-F64 HydrophobicContact CD1-CG 3.65Å; L45-F64 HydrophobicContact CD2-CB 3.88Å; L45-F64 HydrophobicContact CD2-CG 4.47Å; L45-F64 HydrophobicContact CG-CB 4.49Å; L45-F115 HydrophobicContact CD1-CE2 3.97Å
46	Q	89.6	Confident	92.9	Very high	107 Å²	107	50.8 Å²	50.8	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-79.7	-23.5	172.6	-167.8	174.1	22.2	0	0	112.2	Y24 L42 L44	Y24-Q46 PolarHBondContact OH-NE2 2.82Å; L42-Q46 WeakPolarHBondContact O-CB 3.43Å; L42-Q46 PolarHBondContact O-N 3.48Å; L44-Q46 VanDerWaalsContact C-N 3.28Å; L44-Q46 PolarHBondContact O-N 2.87Å
47	K	89.6	Confident	92.9	Very high	72 Å²	72	49.5 Å²	49.5	31%	0.313	22%	0.223	S	C	.	.			trans	-92.9	111.3	-175.5	-75.4	173.6	177.9	175.9	0	111.3	E43 L44 E49 F50	E43-K47 WeakPolarHBondContact O-CG 3.46Å; E43-K47 IonicContact OE1-NZ 2.68Å; E43-K47 PolarHBondContact OE1-NZ 3.19Å; L44-K47 PolarHBondContact O-N 2.62Å; K47-E49 PolarHBondContact O-N 2.95Å; K47-F50 HydrophobicContact CB-CD2 3.76Å; K47-F50 HydrophobicContact CB-CE2 4.34Å; K47-F50 HydrophobicContact CD-CD2 4.29Å; K47-F50 HydrophobicContact CD-CE2 4.12Å; K47-F50 PolarHBondContact O-N 3.32Å
48	E	88.1	Confident	92.6	Very high	128 Å²	128	58.3 Å²	58.3	60%	0.598	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-54.7	-35.5	-179.1	-175.9	150.7	-133.9	0	0	113.3	F50 R51	E48-F50 PolarHBondContact O-N 3.04Å; E48-F50 VanDerWaalsContact O-N 3.15Å; E48-R51 WeakPolarHBondContact O-CB 3.29Å; E48-R51 WeakPolarHBondContact O-CG 3.21Å; E48-R51 PolarHBondContact O-N 2.98Å; E48-R51 VanDerWaalsContact O-N 3.12Å; E48-R51 IonicContact OE1-CZ 3.44Å; E48-R51 IonicContact OE1-NH1 3.84Å; E48-R51 PolarHBondContact OE1-NH1 3.17Å; E48-R51 IonicContact OE1-NH2 2.67Å; E48-R51 PolarHBondContact OE1-NH2 3.39Å; E48-R51 IonicContact OE2-NH2 2.74Å
49	E	91.9	Very high	91.8	Very high	141 Å²	141	61.2 Å²	61.2	66%	0.659	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-45.7	-42.8	172.5	-56.2	176.5	134	0	0	113	K47 H52	K47-E49 PolarHBondContact O-N 2.95Å; E49-H52 PolarHBondContact O-CE1 3.37Å; E49-H52 PolarHBondContact O-ND1 3.49Å
50	F	91.9	Very high	91.3	Very high	41 Å²	41	64.1 Å²	64.1	18%	0.18	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-90.9	7.2	-172.4	-64	-69.8	0	0	0	114.1	L44 K47 E48 H52 V53 I54 L75	L44-F50 HydrophobicContact CD2-CD2 3.83Å; L44-F50 HydrophobicContact CD2-CE2 4.07Å; L44-F50 HydrophobicContact CD2-CG 4.08Å; K47-F50 HydrophobicContact CB-CD2 3.76Å; K47-F50 HydrophobicContact CB-CE2 4.34Å; K47-F50 HydrophobicContact CD-CD2 4.29Å; K47-F50 HydrophobicContact CD-CE2 4.12Å; K47-F50 PolarHBondContact O-N 3.32Å; E48-F50 PolarHBondContact O-N 3.04Å; E48-F50 VanDerWaalsContact O-N 3.15Å; F50-H52 PolarHBondContact O-N 3.1Å; F50-V53 HydrophobicContact CD1-CG2 4.31Å; F50-V53 WeakPolarHBondContact O-CA 3.42Å; F50-V53 WeakPolarHBondContact O-CB 3.41Å; F50-V53 PolarHBondContact O-N 3.27Å; F50-I54 HydrophobicContact CB-CG2 4.35Å; F50-I54 PolarHBondContact O-N 3.2Å; F50-I54 VanDerWaalsContact O-O 3.07Å; F50-L75 HydrophobicContact CD1-CD1 3.74Å; F50-L75 HydrophobicContact CE1-CD1 3.58Å; F50-L75 HydrophobicContact CE1-CD2 4.11Å; F50-L75 HydrophobicContact CZ-CD1 4.38Å; F50-L75 HydrophobicContact CZ-CD2 4.46Å
51	R	91.9	Very high	90.9	Very high	134 Å²	134	71.2 Å²	71.2	51%	0.506	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-61.6	-16	179	-74.2	-173.4	-168.3	150.5	16.7	115	E48 I54 K67	E48-R51 WeakPolarHBondContact O-CB 3.29Å; E48-R51 WeakPolarHBondContact O-CG 3.21Å; E48-R51 PolarHBondContact O-N 2.98Å; E48-R51 VanDerWaalsContact O-N 3.12Å; E48-R51 IonicContact OE1-CZ 3.44Å; E48-R51 IonicContact OE1-NH1 3.84Å; E48-R51 PolarHBondContact OE1-NH1 3.17Å; E48-R51 IonicContact OE1-NH2 2.67Å; E48-R51 PolarHBondContact OE1-NH2 3.39Å; E48-R51 IonicContact OE2-NH2 2.74Å; R51-I54 WeakPolarHBondContact CA-O 3.23Å; R51-K67 PolarHBondContact O-NZ 3.3Å
52	H	93.1	Very high	90.5	Very high	118 Å²	118	71.4 Å²	71.4	55%	0.546	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-76.2	-35.1	169.3	62.9	-83.9	0	0	0	112.1	E49 F50 K67	E49-H52 PolarHBondContact O-CE1 3.37Å; E49-H52 PolarHBondContact O-ND1 3.49Å; F50-H52 PolarHBondContact O-N 3.1Å; H52-K67 VanDerWaalsContact O-CB 3.28Å; H52-K67 WeakPolarHBondContact O-CB 3.05Å; H52-K67 WeakPolarHBondContact O-CD 3.24Å
53	V	95.5	Very high	90.6	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-46.3	179.3	177.3	0	0	0	0	112.6	F50 K67 D68 E71 V72	F50-V53 HydrophobicContact CD1-CG2 4.31Å; F50-V53 WeakPolarHBondContact O-CA 3.42Å; F50-V53 WeakPolarHBondContact O-CB 3.41Å; F50-V53 PolarHBondContact O-N 3.27Å; V53-K67 PolarHBondContact O-N 2.99Å; V53-D68 HydrophobicContact CG1-CB 4.28Å; V53-D68 PolarHBondContact O-N 2.95Å; V53-E71 HydrophobicContact CB-CG 4.35Å; V53-E71 HydrophobicContact CG1-CB 3.98Å; V53-E71 HydrophobicContact CG1-CG 3.86Å; V53-E71 HydrophobicContact CG2-CB 4.21Å; V53-E71 HydrophobicContact CG2-CG 3.51Å; V53-V72 HydrophobicContact CG1-CB 4.47Å; V53-V72 HydrophobicContact CG1-CG2 3.42Å; V53-V72 VanDerWaalsContact CG1-CG2 3.42Å
54	I	96.3	Very high	90.8	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	132.4	-172.4	-169	177.6	0	0	0	109.8	I41 L44 L45 F50 R51 F64 V65 I66 V72	I41-I54 HydrophobicContact CG2-CD1 3.94Å; L44-I54 HydrophobicContact CB-CG2 3.76Å; L44-I54 HydrophobicContact CD1-CG2 4.29Å; L45-I54 HydrophobicContact CD1-CD1 4.45Å; L45-I54 HydrophobicContact CD2-CD1 4.39Å; L45-I54 HydrophobicContact CD2-CG1 3.9Å; L45-I54 HydrophobicContact CG-CD1 4.13Å; L45-I54 HydrophobicContact CG-CG1 4.18Å; F50-I54 HydrophobicContact CB-CG2 4.35Å; F50-I54 PolarHBondContact O-N 3.2Å; F50-I54 VanDerWaalsContact O-O 3.07Å; R51-I54 WeakPolarHBondContact CA-O 3.23Å; I54-F64 HydrophobicContact CD1-CD2 3.9Å; I54-F64 HydrophobicContact CD1-CE2 3.94Å; I54-F64 HydrophobicContact CG1-CD2 4Å; I54-F64 HydrophobicContact CG1-CE2 4.49Å; I54-V65 WeakPolarHBondContact CA-O 3.34Å; I54-I66 HydrophobicContact CD1-CG1 3.73Å; I54-I66 HydrophobicContact CG1-CG1 3.86Å; I54-V72 HydrophobicContact CB-CG2 4.15Å; I54-V72 HydrophobicContact CD1-CG2 4.39Å
55	A	94.8	Very high	90.9	Very high	15 Å²	15	70.7 Å²	70.7	12%	0.124	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.7	-174.9	0	0	0	0	0	112.5	L45 F64 V65	L45-A55 VanDerWaalsContact CD2-C 3.41Å; A55-F64 CarbonylContact O-C 3.52Å; A55-F64 VanDerWaalsContact O-CA 3.26Å; A55-F64 WeakPolarHBondContact O-CA 3.4Å; A55-F64 WeakPolarHBondContact O-CB 3.01Å; A55-V65 PolarHBondContact N-O 3.39Å; A55-V65 PolarHBondContact O-N 2.8Å
56	W	94.9	Very high	91.1	Very high	98 Å²	98	70.2 Å²	70.2	37%	0.371	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	144.6	164.1	-62.3	110.8	0	0	0	110.2	L42 L45 F64 F115 F117	L42-W56 HydrophobicContact CD2-CH2 3.77Å; L42-W56 HydrophobicContact CD2-CZ2 4.08Å; L45-W56 HydrophobicContact CB-CZ2 3.76Å; L45-W56 HydrophobicContact CD1-CD2 4.37Å; L45-W56 HydrophobicContact CD1-CE3 4.37Å; L45-W56 HydrophobicContact CD1-CH2 3.78Å; L45-W56 HydrophobicContact CD1-CZ2 3.78Å; L45-W56 HydrophobicContact CD1-CZ3 4.08Å; L45-W56 HydrophobicContact CD2-CD2 4.18Å; L45-W56 HydrophobicContact CD2-CG 4.27Å; L45-W56 HydrophobicContact CG-CZ2 4.29Å; L45-W56 PolarHBondContact O-NE1 2.95Å; W56-F64 HydrophobicContact CE3-CB 3.87Å; W56-F64 HydrophobicContact CZ3-CB 4.18Å; W56-F64 HydrophobicContact CZ3-CD1 4.4Å; W56-F115 AromaticContact CH2-CD2 3.79Å; W56-F115 HydrophobicContact CH2-CD2 3.79Å; W56-F115 HydrophobicContact CH2-CE2 4.13Å; W56-F115 AromaticContact CZ3-CD2 3.86Å; W56-F115 HydrophobicContact CZ3-CD2 3.86Å; W56-F115 HydrophobicContact CZ3-CE2 4.44Å; W56-F117 AromaticContact CH2-CZ 3.97Å; W56-F117 HydrophobicContact CH2-CZ 3.97Å; W56-F117 HydrophobicContact CZ3-CZ 4.44Å
57	Q	92.8	Very high	91.4	Very high	65 Å²	65	70.3 Å²	70.3	30%	0.304	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-84.8	123.1	173.8	176	146.9	8.2	0	0	109.6	G59 E60 E63 K109	Q57-G59 PolarHBondContact O-N 3.2Å; Q57-E60 HydrophobicContact CG-CB 4.45Å; Q57-E60 PolarHBondContact O-N 3.32Å; Q57-E63 HydrophobicContact CB-CB 4.24Å; Q57-E63 HydrophobicContact CB-CG 4.15Å; Q57-E63 PolarHBondContact N-O 3.14Å; Q57-E63 PolarHBondContact OE1-OE2 3.01Å; Q57-K109 VanDerWaalsContact NE2-NZ 3.18Å
58	Q	86.3	Confident	91.8	Very high	187 Å²	187	70.3 Å²	70.3	87%	0.874	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	131.2	177.3	-165.2	70.9	0.5	0	0	110.7	E60	Q58-E60 PolarHBondContact O-N 2.87Å
59	G	77.6	Confident	92.2	Very high	81 Å²	81	65.1 Å²	65.1	84%	0.835	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-16.9	178.1	0	0	0	0	0	116.3	Q57	Q57-G59 PolarHBondContact O-N 3.2Å
60	E	81.8	Confident	92.5	Very high	86 Å²	86	63.5 Å²	63.5	40%	0.402	32%	0.315	S	S	.	.	S	Bend	trans	-115.1	99.5	-172.6	-88.9	-72.8	159.8	0	0	112.3	Q57 Q58 G62 E63 K114	Q57-E60 HydrophobicContact CG-CB 4.45Å; Q57-E60 PolarHBondContact O-N 3.32Å; Q58-E60 PolarHBondContact O-N 2.87Å; E60-G62 PolarHBondContact O-N 2.96Å; E60-G62 VanDerWaalsContact O-N 3.09Å; E60-E63 HydrophobicContact CB-CB 3.65Å; E60-E63 WeakPolarHBondContact CB-OE2 3.5Å; E60-E63 PolarHBondContact O-N 2.77Å; E60-K114 IonicContact OE2-NZ 2.77Å; E60-K114 PolarHBondContact OE2-NZ 2.86Å
61	Y	85.3	Confident	92.7	Very high	153 Å²	153	63.9 Å²	63.9	60%	0.6	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	116.5	-174.3	-177.1	-105.9	0	0	0	112.6	E63 K114 F117	Y61-E63 VanDerWaalsContact C-N 3.3Å; Y61-E63 PolarHBondContact O-N 2.74Å; Y61-K114 WeakPolarHBondContact O-CE 3.16Å; Y61-F117 HydrophobicContact CD1-CD2 4.24Å; Y61-F117 AromaticContact CE1-CD2 3.51Å; Y61-F117 HydrophobicContact CE1-CD2 3.51Å; Y61-F117 AromaticContact CE1-CE2 3.98Å; Y61-F117 HydrophobicContact CE1-CE2 3.98Å; Y61-F117 HydrophobicContact CE1-CG 4.48Å; Y61-F117 AromaticContact CZ-CD2 3.87Å
62	G	88	Confident	93	Very high	5 Å²	5	57.5 Å²	57.5	5%	0.052	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	0.6	-178.5	0	0	0	0	0	115.3	E60 K114 F115	E60-G62 PolarHBondContact O-N 2.96Å; E60-G62 VanDerWaalsContact O-N 3.09Å; G62-K114 CarbonylContact O-C 3.57Å; G62-K114 WeakPolarHBondContact O-CA 3.31Å; G62-F115 PolarHBondContact O-N 2.82Å
63	E	95.2	Very high	93.2	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.023	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135	170	-169.7	172.7	-140.6	0	0	110.7	Q57 E60 Y61 T106 K109 T112 Y113 K114	Q57-E63 HydrophobicContact CB-CB 4.24Å; Q57-E63 HydrophobicContact CB-CG 4.15Å; Q57-E63 PolarHBondContact N-O 3.14Å; Q57-E63 PolarHBondContact OE1-OE2 3.01Å; E60-E63 HydrophobicContact CB-CB 3.65Å; E60-E63 WeakPolarHBondContact CB-OE2 3.5Å; E60-E63 PolarHBondContact O-N 2.77Å; Y61-E63 VanDerWaalsContact C-N 3.3Å; Y61-E63 PolarHBondContact O-N 2.74Å; E63-T106 VanDerWaalsContact OE1-CB 3.29Å; E63-T106 WeakPolarHBondContact OE1-CB 3.35Å; E63-T106 WeakPolarHBondContact OE1-CG2 3.36Å; E63-T106 PolarHBondContact OE1-OG1 2.94Å; E63-K109 IonicContact OE1-NZ 3.03Å; E63-K109 PolarHBondContact OE1-NZ 3.45Å; E63-K109 VanDerWaalsContact OE1-NZ 3.16Å; E63-K109 IonicContact OE2-NZ 2.84Å; E63-K109 PolarHBondContact OE2-NZ 3.13Å; E63-T112 VanDerWaalsContact CD-CG2 3.49Å; E63-T112 HydrophobicContact CG-CG2 3.42Å; E63-T112 VanDerWaalsContact CG-CG2 3.42Å; E63-T112 VanDerWaalsContact OE1-CG2 3.23Å; E63-T112 WeakPolarHBondContact OE1-CG2 3.01Å; E63-Y113 CarbonylContact C-O 3.59Å; E63-Y113 WeakPolarHBondContact CA-O 3.5Å; E63-K114 HydrophobicContact CB-CB 4.4Å; E63-K114 HydrophobicContact CB-CD 4.32Å; E63-K114 HydrophobicContact CB-CG 4.19Å
64	F	95.8	Very high	93.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.3	176.8	73.1	-84.4	0	0	0	111.4	I41 L45 I54 A55 W56 I66 L103 T112 Y113 F115	I41-F64 HydrophobicContact CG2-CD2 4.35Å; I41-F64 HydrophobicContact CG2-CE1 4.27Å; I41-F64 HydrophobicContact CG2-CE2 3.7Å; I41-F64 HydrophobicContact CG2-CZ 3.64Å; L45-F64 HydrophobicContact CD1-CB 3.76Å; L45-F64 HydrophobicContact CD1-CD1 4.07Å; L45-F64 HydrophobicContact CD1-CD2 3.92Å; L45-F64 HydrophobicContact CD1-CG 3.65Å; L45-F64 HydrophobicContact CD2-CB 3.88Å; L45-F64 HydrophobicContact CD2-CG 4.47Å; L45-F64 HydrophobicContact CG-CB 4.49Å; I54-F64 HydrophobicContact CD1-CD2 3.9Å; I54-F64 HydrophobicContact CD1-CE2 3.94Å; I54-F64 HydrophobicContact CG1-CD2 4Å; I54-F64 HydrophobicContact CG1-CE2 4.49Å; A55-F64 CarbonylContact O-C 3.52Å; A55-F64 VanDerWaalsContact O-CA 3.26Å; A55-F64 WeakPolarHBondContact O-CA 3.4Å; A55-F64 WeakPolarHBondContact O-CB 3.01Å; W56-F64 HydrophobicContact CE3-CB 3.87Å; W56-F64 HydrophobicContact CZ3-CB 4.18Å; W56-F64 HydrophobicContact CZ3-CD1 4.4Å; F64-I66 HydrophobicContact CD2-CG1 4.35Å; F64-I66 HydrophobicContact CE2-CD1 4.18Å; F64-I66 HydrophobicContact CE2-CG1 3.98Å; F64-L103 HydrophobicContact CE1-CD1 4.15Å; F64-L103 HydrophobicContact CE1-CD2 4.18Å; F64-L103 HydrophobicContact CE1-CG 4.4Å; F64-L103 HydrophobicContact CZ-CD2 4.06Å; F64-T112 CarbonylContact O-C 3.54Å; F64-T112 VanDerWaalsContact O-CA 3.27Å; F64-T112 WeakPolarHBondContact O-CA 3.46Å; F64-T112 WeakPolarHBondContact O-CG2 3.28Å; F64-Y113 VanDerWaalsContact CD1-O 3.24Å; F64-Y113 WeakPolarHBondContact CD1-O 3.48Å; F64-Y113 HydrophobicContact CE2-CD2 4.28Å; F64-Y113 HydrophobicContact CZ-CD2 4.2Å; F64-Y113 HydrophobicContact CZ-CG 4.26Å; F64-Y113 PolarHBondContact N-O 3.17Å; F64-Y113 PolarHBondContact O-N 3.47Å; F64-F115 AromaticContact CD1-CD2 3.56Å; F64-F115 HydrophobicContact CD1-CD2 3.56Å; F64-F115 AromaticContact CD1-CE2 3.56Å; F64-F115 HydrophobicContact CD1-CE2 3.56Å; F64-F115 AromaticContact CE1-CD2 3.5Å; F64-F115 HydrophobicContact CE1-CD2 3.5Å; F64-F115 VanDerWaalsContact CE1-CD2 3.5Å; F64-F115 AromaticContact CE1-CE2 3.25Å; F64-F115 HydrophobicContact CE1-CE2 3.25Å; F64-F115 HydrophobicContact CE1-CZ 4.13Å; F64-F115 HydrophobicContact CG-CE2 4.49Å; F64-F115 HydrophobicContact CZ-CE2 4Å
65	V	96.1	Very high	93.2	Very high	37 Å²	37	58 Å²	58	22%	0.224	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.1	175.1	63.1	0	0	0	0	110	I54 A55 K67 T112	I54-V65 WeakPolarHBondContact CA-O 3.34Å; A55-V65 PolarHBondContact N-O 3.39Å; A55-V65 PolarHBondContact O-N 2.8Å; V65-K67 HydrophobicContact CG1-CG 4.4Å; V65-T112 HydrophobicContact CB-CG2 4.33Å
66	I	97.1	Very high	93.2	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.1	163.2	-63.7	164.7	0	0	0	106.5	I54 F64 P69 V72 Y87 L94 F111 Y113	I54-I66 HydrophobicContact CD1-CG1 3.73Å; I54-I66 HydrophobicContact CG1-CG1 3.86Å; F64-I66 HydrophobicContact CD2-CG1 4.35Å; F64-I66 HydrophobicContact CE2-CD1 4.18Å; F64-I66 HydrophobicContact CE2-CG1 3.98Å; I66-P69 HydrophobicContact CG2-CB 4.3Å; I66-V72 HydrophobicContact CG1-CG2 4.35Å; I66-V72 HydrophobicContact CG2-CB 4.32Å; I66-V72 HydrophobicContact CG2-CG2 3.64Å; I66-Y87 HydrophobicContact CD1-CE2 4.22Å; I66-L94 HydrophobicContact CD1-CD1 4.32Å; I66-F111 HydrophobicContact CB-CB 4.23Å; I66-F111 PolarHBondContact N-O 3.3Å; I66-F111 WeakPolarHBondContact O-CB 3.36Å; I66-Y113 HydrophobicContact CD1-CE2 4.31Å
67	K	96.4	Very high	93.2	Very high	108 Å²	108	53.9 Å²	53.9	47%	0.47	27%	0.274	S	S	.	.	S	Bend	trans	-81.7	-51.8	176.8	-66.9	167.9	173.7	177.9	0	109.7	R51 H52 V53 V65 P69	R51-K67 PolarHBondContact O-NZ 3.3Å; H52-K67 VanDerWaalsContact O-CB 3.28Å; H52-K67 WeakPolarHBondContact O-CB 3.05Å; H52-K67 WeakPolarHBondContact O-CD 3.24Å; V53-K67 PolarHBondContact O-N 2.99Å; V65-K67 HydrophobicContact CG1-CG 4.4Å; K67-P69 WeakPolarHBondContact O-CD 3.46Å
68	D	97.3	Very high	93.3	Very high	72 Å²	72	58.9 Å²	58.9	39%	0.385	29%	0.29	S	S	.	.			trans	-107.1	87.9	-178.4	-59.9	-34.3	0	0	0	110.6	V53 D70 E71 V72	V53-D68 HydrophobicContact CG1-CB 4.28Å; V53-D68 PolarHBondContact O-N 2.95Å; D68-D70 VanDerWaalsContact C-N 3.29Å; D68-D70 PolarHBondContact O-N 3.49Å; D68-E71 HydrophobicContact CB-CB 3.92Å; D68-E71 PolarHBondContact O-N 3.37Å; D68-V72 PolarHBondContact O-N 3.21Å
69	P	96.5	Very high	93.5	Very high	20 Å²	20	52.1 Å²	52.1	13%	0.13	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-37.3	-174.8	21.5	-33.4	0	0	0	113.7	I66 K67 A73 Y87 F111	I66-P69 HydrophobicContact CG2-CB 4.3Å; K67-P69 WeakPolarHBondContact O-CD 3.46Å; P69-A73 WeakPolarHBondContact O-CB 3.5Å; P69-A73 PolarHBondContact O-N 3.11Å; P69-A73 VanDerWaalsContact O-N 3.14Å; P69-Y87 HydrophobicContact CB-CD1 4Å; P69-Y87 HydrophobicContact CB-CD2 3.33Å; P69-Y87 HydrophobicContact CB-CE1 4.44Å; P69-Y87 HydrophobicContact CB-CE2 3.84Å; P69-Y87 HydrophobicContact CB-CG 3.42Å; P69-Y87 VanDerWaalsContact CB-CG 3.42Å; P69-Y87 WeakPolarHBondContact O-CD2 3.47Å; P69-F111 HydrophobicContact CG-CE2 4.12Å; P69-F111 HydrophobicContact CG-CZ 4.11Å
70	D	97.2	Very high	94.1	Very high	107 Å²	107	50.8 Å²	50.8	57%	0.572	23%	0.227	S	C	*	.	H	α-helix	trans	-77.2	-30.9	-177.6	-64.1	-61	0	0	0	112.6	D68 A73 R74	D68-D70 VanDerWaalsContact C-N 3.29Å; D68-D70 PolarHBondContact O-N 3.49Å; D70-A73 CarbonylContact O-C 3.59Å; D70-A73 PolarHBondContact O-N 3.17Å; D70-R74 WeakPolarHBondContact O-CB 3.31Å; D70-R74 PolarHBondContact O-N 2.6Å
71	E	96.9	Very high	94.6	Very high	48 Å²	48	49.9 Å²	49.9	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-71.4	-41.3	174.6	-179.2	54.4	-156.7	0	0	111.3	V53 D68 A73 R74 L75	V53-E71 HydrophobicContact CB-CG 4.35Å; V53-E71 HydrophobicContact CG1-CB 3.98Å; V53-E71 HydrophobicContact CG1-CG 3.86Å; V53-E71 HydrophobicContact CG2-CB 4.21Å; V53-E71 HydrophobicContact CG2-CG 3.51Å; D68-E71 HydrophobicContact CB-CB 3.92Å; D68-E71 PolarHBondContact O-N 3.37Å; E71-A73 PolarHBondContact O-N 3.24Å; E71-R74 PolarHBondContact O-N 3.18Å; E71-R74 IonicContact OE1-CZ 2.67Å; E71-R74 IonicContact OE1-NE 2.87Å; E71-R74 PolarHBondContact OE1-NE 3.14Å; E71-R74 IonicContact OE1-NH2 3.32Å; E71-R74 PolarHBondContact OE1-NH2 3.48Å; E71-R74 IonicContact OE2-CZ 3.48Å; E71-R74 IonicContact OE2-NE 2.6Å; E71-R74 PolarHBondContact OE2-NE 3.34Å; E71-R74 IonicContact OE2-NH2 3.22Å; E71-R74 PolarHBondContact OE2-NH2 2.83Å; E71-L75 HydrophobicContact CG-CD1 4.1Å; E71-L75 HydrophobicContact CG-CG 4.45Å; E71-L75 WeakPolarHBondContact O-CB 3.28Å; E71-L75 VanDerWaalsContact O-CG 3.28Å; E71-L75 WeakPolarHBondContact O-CG 3.45Å; E71-L75 PolarHBondContact O-N 3.41Å; E71-L75 WeakPolarHBondContact OE1-CD2 3.43Å; E71-L75 VanDerWaalsContact OE1-CG 3.28Å; E71-L75 WeakPolarHBondContact OE1-CG 3.35Å
72	V	97.3	Very high	94.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.5	-42	169.1	178.1	0	0	0	0	110.8	L44 V53 I54 I66 D68 W76 L90	L44-V72 HydrophobicContact CD1-CG1 4.35Å; V53-V72 HydrophobicContact CG1-CB 4.47Å; V53-V72 HydrophobicContact CG1-CG2 3.42Å; V53-V72 VanDerWaalsContact CG1-CG2 3.42Å; I54-V72 HydrophobicContact CB-CG2 4.15Å; I54-V72 HydrophobicContact CD1-CG2 4.39Å; I66-V72 HydrophobicContact CG1-CG2 4.35Å; I66-V72 HydrophobicContact CG2-CB 4.32Å; I66-V72 HydrophobicContact CG2-CG2 3.64Å; D68-V72 PolarHBondContact O-N 3.21Å; V72-W76 VanDerWaalsContact O-CB 3.31Å; V72-W76 WeakPolarHBondContact O-CB 3.47Å; V72-W76 PolarHBondContact O-N 3.12Å; V72-L90 HydrophobicContact CG1-CD1 3.92Å
73	A	97.3	Very high	94.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-37.4	178.4	0	0	0	0	0	113.3	P69 D70 E71 W76 G77 M85 L90	P69-A73 WeakPolarHBondContact O-CB 3.5Å; P69-A73 PolarHBondContact O-N 3.11Å; P69-A73 VanDerWaalsContact O-N 3.14Å; D70-A73 CarbonylContact O-C 3.59Å; D70-A73 PolarHBondContact O-N 3.17Å; E71-A73 PolarHBondContact O-N 3.24Å; A73-W76 PolarHBondContact O-N 3.14Å; A73-G77 PolarHBondContact O-N 3.34Å; A73-M85 VanDerWaalsContact O-CG 3.28Å; A73-M85 WeakPolarHBondContact O-CG 3.3Å; A73-L90 HydrophobicContact CB-CD1 4.21Å
74	R	96.8	Very high	94.9	Very high	112 Å²	112	61.5 Å²	61.5	42%	0.423	30%	0.296	S	S	.	.	H	α-helix	trans	-67.6	-43.6	176.1	-166.7	-164.8	69.5	97.4	2.8	111.5	D70 E71 G77 R78	D70-R74 WeakPolarHBondContact O-CB 3.31Å; D70-R74 PolarHBondContact O-N 2.6Å; E71-R74 PolarHBondContact O-N 3.18Å; E71-R74 IonicContact OE1-CZ 2.67Å; E71-R74 IonicContact OE1-NE 2.87Å; E71-R74 PolarHBondContact OE1-NE 3.14Å; E71-R74 IonicContact OE1-NH2 3.32Å; E71-R74 PolarHBondContact OE1-NH2 3.48Å; E71-R74 IonicContact OE2-CZ 3.48Å; E71-R74 IonicContact OE2-NE 2.6Å; E71-R74 PolarHBondContact OE2-NE 3.34Å; E71-R74 IonicContact OE2-NH2 3.22Å; E71-R74 PolarHBondContact OE2-NH2 2.83Å; R74-G77 PolarHBondContact O-N 3.24Å; R74-R78 WeakPolarHBondContact O-CB 3.5Å; R74-R78 PolarHBondContact O-N 2.76Å
75	L	95.9	Very high	94.9	Very high	16 Å²	16	63.5 Å²	63.5	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-41.2	174.8	-66.5	168.4	0	0	0	111.4	F40 L44 F50 E71 R78 R79	F40-L75 HydrophobicContact CZ-CB 3.85Å; L44-L75 HydrophobicContact CD1-CD1 4.37Å; L44-L75 HydrophobicContact CD2-CD1 4.19Å; F50-L75 HydrophobicContact CD1-CD1 3.74Å; F50-L75 HydrophobicContact CE1-CD1 3.58Å; F50-L75 HydrophobicContact CE1-CD2 4.11Å; F50-L75 HydrophobicContact CZ-CD1 4.38Å; F50-L75 HydrophobicContact CZ-CD2 4.46Å; E71-L75 HydrophobicContact CG-CD1 4.1Å; E71-L75 HydrophobicContact CG-CG 4.45Å; E71-L75 WeakPolarHBondContact O-CB 3.28Å; E71-L75 VanDerWaalsContact O-CG 3.28Å; E71-L75 WeakPolarHBondContact O-CG 3.45Å; E71-L75 PolarHBondContact O-N 3.41Å; E71-L75 WeakPolarHBondContact OE1-CD2 3.43Å; E71-L75 VanDerWaalsContact OE1-CG 3.28Å; E71-L75 WeakPolarHBondContact OE1-CG 3.35Å; L75-R78 WeakPolarHBondContact O-CB 3.44Å; L75-R78 PolarHBondContact O-N 2.91Å; L75-R79 PolarHBondContact O-N 3.45Å
76	W	95.5	Very high	95	Very high	24 Å²	24	64.8 Å²	64.8	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-43	172.6	179.3	-127.3	0	0	0	112	I35 L37 F40 V72 A73 R78 R79 K80 L90	I35-W76 HydrophobicContact CG2-CZ3 4.12Å; I35-W76 WeakPolarHBondContact O-CH2 3.31Å; L37-W76 HydrophobicContact CB-CH2 3.97Å; L37-W76 HydrophobicContact CB-CZ2 3.79Å; L37-W76 HydrophobicContact CD1-CD2 3.78Å; L37-W76 HydrophobicContact CD1-CE3 4.17Å; L37-W76 HydrophobicContact CD1-CG 4.01Å; L37-W76 HydrophobicContact CD1-CZ2 4.3Å; F40-W76 HydrophobicContact CB-CE3 3.89Å; F40-W76 HydrophobicContact CB-CZ3 3.63Å; F40-W76 HydrophobicContact CD1-CB 4.28Å; F40-W76 HydrophobicContact CD1-CD2 4.2Å; F40-W76 AromaticContact CD1-CE3 3.45Å; F40-W76 HydrophobicContact CD1-CE3 3.45Å; F40-W76 VanDerWaalsContact CD1-CE3 3.45Å; F40-W76 HydrophobicContact CD1-CZ3 4.11Å; F40-W76 HydrophobicContact CD2-CE3 4.11Å; F40-W76 HydrophobicContact CD2-CZ3 4.44Å; F40-W76 HydrophobicContact CE1-CB 3.7Å; F40-W76 HydrophobicContact CE1-CD2 4.47Å; F40-W76 AromaticContact CE1-CE3 3.96Å; F40-W76 HydrophobicContact CE1-CE3 3.96Å; F40-W76 HydrophobicContact CE1-CG 4.43Å; F40-W76 AromaticContact CG-CE3 3.53Å; F40-W76 HydrophobicContact CG-CE3 3.53Å; F40-W76 AromaticContact CG-CZ3 3.8Å; F40-W76 HydrophobicContact CG-CZ3 3.8Å; F40-W76 HydrophobicContact CZ-CB 4.21Å; F40-W76 HydrophobicContact CZ-CE3 4.47Å; V72-W76 VanDerWaalsContact O-CB 3.31Å; V72-W76 WeakPolarHBondContact O-CB 3.47Å; V72-W76 PolarHBondContact O-N 3.12Å; A73-W76 PolarHBondContact O-N 3.14Å; W76-R78 PolarHBondContact O-N 3.36Å; W76-R79 PolarHBondContact O-N 3.27Å; W76-K80 HydrophobicContact CD2-CG 4.16Å; W76-K80 HydrophobicContact CE3-CG 4.14Å; W76-K80 HydrophobicContact CH2-CD 4.14Å; W76-K80 HydrophobicContact CH2-CG 3.82Å; W76-K80 HydrophobicContact CZ2-CD 4.34Å; W76-K80 HydrophobicContact CZ2-CG 3.79Å; W76-K80 HydrophobicContact CZ3-CG 3.98Å; W76-K80 PolarHBondContact O-N 2.74Å; W76-L90 HydrophobicContact CB-CD1 3.82Å; W76-L90 HydrophobicContact CG-CD1 3.98Å
77	G	95.1	Very high	95	Very high	4 Å²	4	66.1 Å²	66.1	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-44.2	173.3	0	0	0	0	0	112.4	A73 R74 K80 C81 K82	A73-G77 PolarHBondContact O-N 3.34Å; R74-G77 PolarHBondContact O-N 3.24Å; G77-K80 PolarHBondContact O-N 3.46Å; G77-C81 CarbonylContact O-C 3.52Å; G77-C81 VanDerWaalsContact O-CA 3.31Å; G77-C81 WeakPolarHBondContact O-CA 3.25Å; G77-C81 PolarHBondContact O-N 2.93Å; G77-K82 WeakPolarHBondContact CA-O 3.42Å; G77-K82 PolarHBondContact O-N 3.12Å
78	R	93.3	Very high	95	Very high	170 Å²	170	65.5 Å²	65.5	64%	0.642	32%	0.319	S	S	*	.	H	α-helix	trans	-59.3	-52.5	172.8	-176.7	-175.4	-82.2	-174.2	-10.9	110.9	R74 L75 W76 K80 C81	R74-R78 WeakPolarHBondContact O-CB 3.5Å; R74-R78 PolarHBondContact O-N 2.76Å; L75-R78 WeakPolarHBondContact O-CB 3.44Å; L75-R78 PolarHBondContact O-N 2.91Å; W76-R78 PolarHBondContact O-N 3.36Å; R78-K80 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 2.83Å; R78-C81 PolarHBondContact O-N 3.3Å
79	R	92.2	Very high	95	Very high	44 Å²	44	67.1 Å²	67.1	17%	0.166	32%	0.323	C	S	.	.	H	α-helix	trans	-59.5	-36.1	-179.7	178.6	60.8	68.8	88	6.3	113.5	I35 F40 E43 L75 W76	I35-R79 HydrophobicContact CG2-CG 3.79Å; F40-R79 HydrophobicContact CD2-CB 4.26Å; F40-R79 HydrophobicContact CD2-CG 4.05Å; F40-R79 HydrophobicContact CE2-CB 3.99Å; F40-R79 HydrophobicContact CE2-CG 4.26Å; E43-R79 IonicContact OE1-CZ 2.92Å; E43-R79 IonicContact OE1-NH2 2.74Å; E43-R79 PolarHBondContact OE1-NH2 3.05Å; E43-R79 IonicContact OE2-CZ 3.16Å; E43-R79 IonicContact OE2-NH1 2.6Å; E43-R79 PolarHBondContact OE2-NH1 3.4Å; E43-R79 IonicContact OE2-NH2 2.62Å; E43-R79 PolarHBondContact OE2-NH2 3.22Å; L75-R79 PolarHBondContact O-N 3.45Å; W76-R79 PolarHBondContact O-N 3.27Å
80	K	90.1	Very high	95	Very high	54 Å²	54	66.2 Å²	66.2	24%	0.235	32%	0.317	C	S	.	.	H	α-helix	trans	-95.3	1.1	178.8	-73.3	-71.1	-175.7	176.8	0	114.6	R33 Q34 I35 W76 G77 R78 K82	R33-K80 WeakPolarHBondContact O-CD 3.24Å; R33-K80 WeakPolarHBondContact O-CE 3.12Å; R33-K80 PolarHBondContact O-NZ 3.34Å; Q34-K80 PolarHBondContact O-NZ 3.48Å; I35-K80 WeakPolarHBondContact O-CE 3.37Å; I35-K80 PolarHBondContact O-NZ 2.84Å; W76-K80 HydrophobicContact CD2-CG 4.16Å; W76-K80 HydrophobicContact CE3-CG 4.14Å; W76-K80 HydrophobicContact CH2-CD 4.14Å; W76-K80 HydrophobicContact CH2-CG 3.82Å; W76-K80 HydrophobicContact CZ2-CD 4.34Å; W76-K80 HydrophobicContact CZ2-CG 3.79Å; W76-K80 HydrophobicContact CZ3-CG 3.98Å; W76-K80 PolarHBondContact O-N 2.74Å; G77-K80 PolarHBondContact O-N 3.46Å; R78-K80 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 2.83Å; K80-K82 HydrophobicContact CB-CG 4.19Å; K80-K82 PolarHBondContact O-N 3.46Å
81	C	90.3	Very high	95	Very high	66 Å²	66	61.2 Å²	61.2	45%	0.446	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	45.8	-168.3	-58.5	0	0	0	0	113.2	R33 G77 R78	R33-C81 VanDerWaalsContact CZ-SG 3.52Å; R33-C81 PolarHBondContact NH1-SG 2.82Å; R33-C81 PolarHBondContact NH2-SG 3.49Å; G77-C81 CarbonylContact O-C 3.52Å; G77-C81 VanDerWaalsContact O-CA 3.31Å; G77-C81 WeakPolarHBondContact O-CA 3.25Å; G77-C81 PolarHBondContact O-N 2.93Å; R78-C81 PolarHBondContact O-N 3.3Å
82	K	92.2	Very high	95	Very high	128 Å²	128	64.2 Å²	64.2	56%	0.557	30%	0.299	S	S	*	.			trans	-114.1	89.2	171.5	-65.7	-61.2	-176.9	-178.4	0	108.2	G77 K80 Q84 M85	G77-K82 WeakPolarHBondContact CA-O 3.42Å; G77-K82 PolarHBondContact O-N 3.12Å; K80-K82 HydrophobicContact CB-CG 4.19Å; K80-K82 PolarHBondContact O-N 3.46Å; K82-Q84 PolarHBondContact O-N 3.38Å; K82-M85 HydrophobicContact CB-CB 4.43Å; K82-M85 HydrophobicContact CB-CE 3.96Å; K82-M85 HydrophobicContact CG-CE 4.34Å; K82-M85 VanDerWaalsContact O-CB 3.25Å; K82-M85 WeakPolarHBondContact O-CB 3.29Å; K82-M85 PolarHBondContact O-N 3.23Å
83	P	89.4	Confident	94.9	Very high	121 Å²	121	65.6 Å²	65.6	79%	0.786	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.3	-178	25.4	-33.9	0	0	0	112.3	M85	P83-M85 PolarHBondContact O-N 3.1Å; P83-M85 VanDerWaalsContact O-N 3.12Å
84	Q	93.6	Very high	94.9	Very high	158 Å²	158	65.6 Å²	65.6	74%	0.738	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	32.4	175.7	-65.7	-65.3	-20.1	0	0	113.2	K82 K89	K82-Q84 PolarHBondContact O-N 3.38Å; Q84-K89 PolarHBondContact O-NZ 3.43Å
85	M	97.3	Very high	94.8	Very high	43 Å²	43	65.7 Å²	65.7	21%	0.212	31%	0.311	C	S	.	.			trans	-87.4	136.4	172.8	-171.1	63.9	67.5	0	0	109.7	A73 K82 P83 K89	A73-M85 VanDerWaalsContact O-CG 3.28Å; A73-M85 WeakPolarHBondContact O-CG 3.3Å; K82-M85 HydrophobicContact CB-CB 4.43Å; K82-M85 HydrophobicContact CB-CE 3.96Å; K82-M85 HydrophobicContact CG-CE 4.34Å; K82-M85 VanDerWaalsContact O-CB 3.25Å; K82-M85 WeakPolarHBondContact O-CB 3.29Å; K82-M85 PolarHBondContact O-N 3.23Å; P83-M85 PolarHBondContact O-N 3.1Å; P83-M85 VanDerWaalsContact O-N 3.12Å; M85-K89 HydrophobicContact SD-CB 4.07Å
86	N	97.6	Very high	94.8	Very high	63 Å²	63	71.6 Å²	71.6	34%	0.337	33%	0.334	S	S	.	.			trans	-140.2	170.2	177.3	68.2	-6.8	0	0	0	110	D88 K89 L90	N86-D88 VanDerWaalsContact C-N 3.31Å; N86-D88 PolarHBondContact O-N 2.98Å; N86-K89 PolarHBondContact O-N 2.99Å; N86-K89 WeakPolarHBondContact OD1-CB 3.15Å; N86-K89 VanDerWaalsContact OD1-CD 3.24Å; N86-K89 WeakPolarHBondContact OD1-CD 3.28Å; N86-K89 WeakPolarHBondContact OD1-CE 3.38Å; N86-K89 WeakPolarHBondContact OD1-CG 3.46Å; N86-K89 PolarHBondContact OD1-N 2.97Å; N86-K89 VanDerWaalsContact OD1-N 3.14Å; N86-L90 PolarHBondContact O-N 3.38Å
87	Y	97.5	Very high	94.8	Very high	29 Å²	29	71.8 Å²	71.8	11%	0.114	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-36.1	-176.5	-177.7	-101.3	0	0	0	113.1	I66 P69 K89 L90 S91 F111 Y113	I66-Y87 HydrophobicContact CD1-CE2 4.22Å; P69-Y87 HydrophobicContact CB-CD1 4Å; P69-Y87 HydrophobicContact CB-CD2 3.33Å; P69-Y87 HydrophobicContact CB-CE1 4.44Å; P69-Y87 HydrophobicContact CB-CE2 3.84Å; P69-Y87 HydrophobicContact CB-CG 3.42Å; P69-Y87 VanDerWaalsContact CB-CG 3.42Å; P69-Y87 WeakPolarHBondContact O-CD2 3.47Å; Y87-K89 PolarHBondContact O-N 2.92Å; Y87-L90 HydrophobicContact CD2-CD2 4.48Å; Y87-L90 HydrophobicContact CE2-CD2 4.36Å; Y87-L90 PolarHBondContact O-N 3.39Å; Y87-S91 VanDerWaalsContact O-CB 3.29Å; Y87-S91 WeakPolarHBondContact O-CB 3.29Å; Y87-S91 PolarHBondContact O-N 3.07Å; Y87-F111 HydrophobicContact CD1-CE1 4.3Å; Y87-F111 AromaticContact CE1-CD1 3.89Å; Y87-F111 HydrophobicContact CE1-CD1 3.89Å; Y87-F111 AromaticContact CE1-CE1 3.67Å; Y87-F111 HydrophobicContact CE1-CE1 3.67Å; Y87-F111 AromaticContact CZ-CD1 3.78Å; Y87-Y113 PolarHBondContact OH-OH 3.32Å
88	D	96.8	Very high	94.7	Very high	96 Å²	96	74.5 Å²	74.5	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-59.3	-50.7	179.4	178.8	62.9	0	0	0	112.1	N86 L90 S91 R92 R95	N86-D88 VanDerWaalsContact C-N 3.31Å; N86-D88 PolarHBondContact O-N 2.98Å; D88-L90 VanDerWaalsContact C-N 3.3Å; D88-L90 PolarHBondContact O-N 3.34Å; D88-S91 PolarHBondContact O-N 2.73Å; D88-S91 VanDerWaalsContact O-N 3.14Å; D88-S91 PolarHBondContact O-OG 2.93Å; D88-R92 PolarHBondContact O-N 3.29Å; D88-R95 IonicContact OD1-NH2 3.47Å; D88-R95 PolarHBondContact OD1-NH2 2.96Å
89	K	96	Very high	94.7	Very high	105 Å²	105	73.4 Å²	73.4	46%	0.457	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-39	176.9	-67.1	165.9	-157.8	176.4	0	111.9	Q84 M85 N86 Y87 R92	Q84-K89 PolarHBondContact O-NZ 3.43Å; M85-K89 HydrophobicContact SD-CB 4.07Å; N86-K89 PolarHBondContact O-N 2.99Å; N86-K89 WeakPolarHBondContact OD1-CB 3.15Å; N86-K89 VanDerWaalsContact OD1-CD 3.24Å; N86-K89 WeakPolarHBondContact OD1-CD 3.28Å; N86-K89 WeakPolarHBondContact OD1-CE 3.38Å; N86-K89 WeakPolarHBondContact OD1-CG 3.46Å; N86-K89 PolarHBondContact OD1-N 2.97Å; N86-K89 VanDerWaalsContact OD1-N 3.14Å; Y87-K89 PolarHBondContact O-N 2.92Å; K89-R92 PolarHBondContact O-N 2.87Å
90	L	97.3	Very high	94.6	Very high	1 Å²	1	77.7 Å²	77.7	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-45	175.2	-171	154.9	0	0	0	111.3	L37 V72 A73 W76 N86 Y87 D88 R92 A93 L94	L37-L90 HydrophobicContact CD1-CD1 3.91Å; L37-L90 HydrophobicContact CD1-CD2 4.19Å; L37-L90 HydrophobicContact CD1-CG 3.84Å; L37-L90 HydrophobicContact CD2-CD2 3.94Å; L37-L90 HydrophobicContact CD2-CG 3.85Å; V72-L90 HydrophobicContact CG1-CD1 3.92Å; A73-L90 HydrophobicContact CB-CD1 4.21Å; W76-L90 HydrophobicContact CB-CD1 3.82Å; W76-L90 HydrophobicContact CG-CD1 3.98Å; N86-L90 PolarHBondContact O-N 3.38Å; Y87-L90 HydrophobicContact CD2-CD2 4.48Å; Y87-L90 HydrophobicContact CE2-CD2 4.36Å; Y87-L90 PolarHBondContact O-N 3.39Å; D88-L90 VanDerWaalsContact C-N 3.3Å; D88-L90 PolarHBondContact O-N 3.34Å; L90-R92 PolarHBondContact O-N 2.67Å; L90-A93 WeakPolarHBondContact O-CB 3.28Å; L90-A93 PolarHBondContact O-N 3Å; L90-L94 HydrophobicContact CD2-CD1 3.8Å; L90-L94 HydrophobicContact CD2-CG 4Å; L90-L94 PolarHBondContact O-N 3.22Å; L90-L94 VanDerWaalsContact O-N 3.12Å
91	S	97	Very high	94.6	Very high	3 Å²	3	82.4 Å²	82.4	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-61.7	-30.8	177.5	87.2	0	0	0	0	111.8	Y87 D88 A93 L94 R95	Y87-S91 VanDerWaalsContact O-CB 3.29Å; Y87-S91 WeakPolarHBondContact O-CB 3.29Å; Y87-S91 PolarHBondContact O-N 3.07Å; D88-S91 PolarHBondContact O-N 2.73Å; D88-S91 VanDerWaalsContact O-N 3.14Å; D88-S91 PolarHBondContact O-OG 2.93Å; S91-A93 VanDerWaalsContact C-N 3.27Å; S91-A93 PolarHBondContact O-N 3.09Å; S91-L94 PolarHBondContact O-N 2.83Å; S91-R95 VanDerWaalsContact O-CG 3.3Å; S91-R95 WeakPolarHBondContact O-CG 3.38Å; S91-R95 PolarHBondContact O-N 3.43Å; S91-R95 PolarHBondContact OG-NH2 2.88Å
92	R	97	Very high	94.7	Very high	110 Å²	110	79.9 Å²	79.9	42%	0.415	37%	0.369	S	S	.	.	H	α-helix	trans	-63.2	-34.8	174.8	-170.5	67	-164	84	-12.2	111.9	D88 K89 L90 Y96	D88-R92 PolarHBondContact O-N 3.29Å; K89-R92 PolarHBondContact O-N 2.87Å; L90-R92 PolarHBondContact O-N 2.67Å; R92-Y96 HydrophobicContact CG-CE2 4.17Å; R92-Y96 VanDerWaalsContact NH1-CE1 3.34Å; R92-Y96 VanDerWaalsContact NH1-CE2 3.25Å; R92-Y96 PolarHBondContact NH2-OH 2.93Å; R92-Y96 WeakPolarHBondContact O-CD2 3.44Å; R92-Y96 PolarHBondContact O-N 3.21Å
93	A	94.6	Very high	94.8	Very high	30 Å²	30	73.9 Å²	73.9	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-72.2	-41.6	172.1	0	0	0	0	0	112.3	L37 L90 S91 R95 Y96 Y97	L37-A93 HydrophobicContact CD2-CB 3.61Å; L90-A93 WeakPolarHBondContact O-CB 3.28Å; L90-A93 PolarHBondContact O-N 3Å; S91-A93 VanDerWaalsContact C-N 3.27Å; S91-A93 PolarHBondContact O-N 3.09Å; A93-R95 VanDerWaalsContact C-N 3.3Å; A93-R95 PolarHBondContact O-N 2.72Å; A93-Y96 PolarHBondContact O-N 2.95Å; A93-Y96 VanDerWaalsContact O-N 3.08Å; A93-Y97 PolarHBondContact O-N 3.14Å
94	L	96.6	Very high	95.1	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-56.8	-42.9	172.7	-61.2	179.6	0	0	0	111.9	L37 I41 I66 L90 S91 Y96 Y97 Y98 L103 Y113	L37-L94 HydrophobicContact CD2-CD2 3.86Å; L37-L94 HydrophobicContact CD2-CG 4.2Å; L37-L94 HydrophobicContact CG-CD2 4.44Å; I41-L94 HydrophobicContact CD1-CD2 3.64Å; I66-L94 HydrophobicContact CD1-CD1 4.32Å; L90-L94 HydrophobicContact CD2-CD1 3.8Å; L90-L94 HydrophobicContact CD2-CG 4Å; L90-L94 PolarHBondContact O-N 3.22Å; L90-L94 VanDerWaalsContact O-N 3.12Å; S91-L94 PolarHBondContact O-N 2.83Å; L94-Y96 VanDerWaalsContact C-N 3.27Å; L94-Y96 PolarHBondContact O-N 3.45Å; L94-Y97 HydrophobicContact CD2-CD2 4.29Å; L94-Y97 WeakPolarHBondContact O-CB 3.5Å; L94-Y97 PolarHBondContact O-N 3.16Å; L94-Y98 WeakPolarHBondContact O-CD1 2.89Å; L94-Y98 VanDerWaalsContact O-CE1 3.28Å; L94-Y98 WeakPolarHBondContact O-CE1 3.34Å; L94-L103 HydrophobicContact CD2-CD2 3.99Å; L94-Y113 HydrophobicContact CB-CE1 4.21Å; L94-Y113 HydrophobicContact CD1-CD2 4.44Å; L94-Y113 HydrophobicContact CD1-CE1 4.17Å; L94-Y113 HydrophobicContact CD1-CE2 3.82Å
95	R	96.3	Very high	95.2	Very high	115 Å²	115	67.4 Å²	67.4	43%	0.434	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-31	176.3	-68.8	175.6	-132.3	-172	8.9	113.2	D88 S91 A93 Y97 Y98	D88-R95 IonicContact OD1-NH2 3.47Å; D88-R95 PolarHBondContact OD1-NH2 2.96Å; S91-R95 VanDerWaalsContact O-CG 3.3Å; S91-R95 WeakPolarHBondContact O-CG 3.38Å; S91-R95 PolarHBondContact O-N 3.43Å; S91-R95 PolarHBondContact OG-NH2 2.88Å; A93-R95 VanDerWaalsContact C-N 3.3Å; A93-R95 PolarHBondContact O-N 2.72Å; R95-Y97 VanDerWaalsContact C-N 3.32Å; R95-Y98 HydrophobicContact CB-CE2 4.18Å; R95-Y98 HydrophobicContact CG-CE2 4.02Å
96	Y	95.4	Very high	95.1	Very high	140 Å²	140	66.7 Å²	66.7	55%	0.549	30%	0.299	S	S	.	.	H	α-helix	trans	-72.9	-22.2	173.8	-70.4	-60.8	0	0	0	113.1	R92 A93 L94 Y98	R92-Y96 HydrophobicContact CG-CE2 4.17Å; R92-Y96 VanDerWaalsContact NH1-CE1 3.34Å; R92-Y96 VanDerWaalsContact NH1-CE2 3.25Å; R92-Y96 PolarHBondContact NH2-OH 2.93Å; R92-Y96 WeakPolarHBondContact O-CD2 3.44Å; R92-Y96 PolarHBondContact O-N 3.21Å; A93-Y96 PolarHBondContact O-N 2.95Å; A93-Y96 VanDerWaalsContact O-N 3.08Å; L94-Y96 VanDerWaalsContact C-N 3.27Å; L94-Y96 PolarHBondContact O-N 3.45Å; Y96-Y98 VanDerWaalsContact C-N 3.31Å; Y96-Y98 PolarHBondContact O-N 3.04Å
97	Y	95.2	Very high	94.9	Very high	27 Å²	27	73 Å²	73	11%	0.106	32%	0.324	C	S	.	.	H	α-helix	trans	-76.2	-14.6	-180	-64.7	-35.5	0	0	0	114.4	L37 W38 A93 L94 R95 R101 I102 L103	L37-Y97 HydrophobicContact CB-CE2 4.11Å; L37-Y97 HydrophobicContact CD2-CE2 4.28Å; L37-Y97 HydrophobicContact CG-CE2 4.36Å; W38-Y97 HydrophobicContact CB-CD2 4.29Å; W38-Y97 HydrophobicContact CB-CE2 3.84Å; W38-Y97 AromaticContact CD1-CE1 3.97Å; W38-Y97 AromaticContact CD1-CZ 3.72Å; W38-Y97 HydrophobicContact CG-CE2 4.47Å; A93-Y97 PolarHBondContact O-N 3.14Å; L94-Y97 HydrophobicContact CD2-CD2 4.29Å; L94-Y97 WeakPolarHBondContact O-CB 3.5Å; L94-Y97 PolarHBondContact O-N 3.16Å; R95-Y97 VanDerWaalsContact C-N 3.32Å; Y97-R101 PolarHBondContact O-N 2.91Å; Y97-I102 HydrophobicContact CD1-CB 4.46Å; Y97-I102 HydrophobicContact CD1-CD1 3.93Å; Y97-I102 HydrophobicContact CD1-CG2 4.36Å; Y97-I102 HydrophobicContact CE1-CD1 4.34Å; Y97-I102 HydrophobicContact CG-CB 4.4Å; Y97-I102 HydrophobicContact CG-CG2 4.12Å; Y97-I102 PolarHBondContact O-N 2.94Å; Y97-I102 VanDerWaalsContact O-N 3.1Å; Y97-L103 PolarHBondContact O-N 3.21Å
98	Y	94	Very high	94.7	Very high	62 Å²	62	76 Å²	76	24%	0.243	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-55.6	175.2	-51.6	-14.2	0	0	0	111.2	L94 R95 Y96 K100 R101 L103 K105 Y113	L94-Y98 WeakPolarHBondContact O-CD1 2.89Å; L94-Y98 VanDerWaalsContact O-CE1 3.28Å; L94-Y98 WeakPolarHBondContact O-CE1 3.34Å; R95-Y98 HydrophobicContact CB-CE2 4.18Å; R95-Y98 HydrophobicContact CG-CE2 4.02Å; Y96-Y98 VanDerWaalsContact C-N 3.31Å; Y96-Y98 PolarHBondContact O-N 3.04Å; Y98-K100 VanDerWaalsContact C-N 3.28Å; Y98-K100 PolarHBondContact O-N 2.77Å; Y98-R101 WeakPolarHBondContact O-CA 3.48Å; Y98-R101 PolarHBondContact O-N 3.33Å; Y98-L103 VanDerWaalsContact CA-O 3.29Å; Y98-L103 WeakPolarHBondContact CA-O 3.49Å; Y98-K105 HydrophobicContact CD1-CB 4.47Å; Y98-K105 HydrophobicContact CE1-CB 3.78Å; Y98-K105 HydrophobicContact CE2-CB 4.13Å; Y98-Y113 HydrophobicContact CE1-CD1 4.23Å; Y98-Y113 HydrophobicContact CE1-CE1 4.07Å
99	N	92.4	Very high	94.6	Very high	147 Å²	147	75 Å²	75	79%	0.786	35%	0.354	S	S	*	.	H	α-helix	trans	-66.1	-33.2	-179.6	-64.9	25.7	0	0	0	111.5	R101	N99-R101 PolarHBondContact O-N 3.33Å
100	K	90.1	Very high	94.6	Very high	134 Å²	134	79.2 Å²	79.2	58%	0.583	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-2.4	173	-65.3	-163.6	71.3	179.2	0	114	Y98 I102	Y98-K100 VanDerWaalsContact C-N 3.28Å; Y98-K100 PolarHBondContact O-N 2.77Å; K100-I102 HydrophobicContact CB-CD1 3.89Å; K100-I102 HydrophobicContact CB-CG1 4.11Å; K100-I102 HydrophobicContact CD-CD1 4.2Å; K100-I102 PolarHBondContact O-N 3.3Å; K100-I102 VanDerWaalsContact O-N 3.09Å
101	R	91.1	Very high	94.5	Very high	152 Å²	152	81.7 Å²	81.7	57%	0.574	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	26.1	-176.9	-56.5	-65.4	-171.4	153.1	-0.7	113.8	Y97 Y98 N99 H104 N116	Y97-R101 PolarHBondContact O-N 2.91Å; Y98-R101 WeakPolarHBondContact O-CA 3.48Å; Y98-R101 PolarHBondContact O-N 3.33Å; N99-R101 PolarHBondContact O-N 3.33Å; R101-H104 WeakPolarHBondContact CD-NE2 3.45Å; R101-H104 PolarHBondContact NH1-NE2 3.46Å; R101-N116 VanDerWaalsContact O-CB 3.26Å; R101-N116 WeakPolarHBondContact O-CB 3.26Å; R101-N116 PolarHBondContact O-ND2 3.02Å
102	I	92	Very high	94.5	Very high	14 Å²	14	81.8 Å²	81.8	7%	0.072	38%	0.378	C	S	.	.	S	Bend	trans	-82.5	-42.6	175.8	-74.7	168.7	0	0	0	110	W38 Y97 K100 N116 L120	W38-I102 HydrophobicContact CB-CG2 4.05Å; W38-I102 HydrophobicContact CD2-CG2 4.32Å; W38-I102 HydrophobicContact CG-CG2 3.98Å; Y97-I102 HydrophobicContact CD1-CB 4.46Å; Y97-I102 HydrophobicContact CD1-CD1 3.93Å; Y97-I102 HydrophobicContact CD1-CG2 4.36Å; Y97-I102 HydrophobicContact CE1-CD1 4.34Å; Y97-I102 HydrophobicContact CG-CB 4.4Å; Y97-I102 HydrophobicContact CG-CG2 4.12Å; Y97-I102 PolarHBondContact O-N 2.94Å; Y97-I102 VanDerWaalsContact O-N 3.1Å; K100-I102 HydrophobicContact CB-CD1 3.89Å; K100-I102 HydrophobicContact CB-CG1 4.11Å; K100-I102 HydrophobicContact CD-CD1 4.2Å; K100-I102 PolarHBondContact O-N 3.3Å; K100-I102 VanDerWaalsContact O-N 3.09Å; I102-N116 PolarHBondContact O-N 3.08Å; I102-N116 VanDerWaalsContact O-N 3.07Å; I102-L120 HydrophobicContact CB-CD2 4.4Å; I102-L120 HydrophobicContact CG1-CD2 3.96Å; I102-L120 HydrophobicContact CG2-CD2 4.14Å
103	L	94.6	Very high	94.5	Very high	1 Å²	1	77.1 Å²	77.1	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.1	-176	-131.7	76.5	0	0	0	109.2	F64 L94 Y97 Y98 Y113 K114 F115	F64-L103 HydrophobicContact CE1-CD1 4.15Å; F64-L103 HydrophobicContact CE1-CD2 4.18Å; F64-L103 HydrophobicContact CE1-CG 4.4Å; F64-L103 HydrophobicContact CZ-CD2 4.06Å; L94-L103 HydrophobicContact CD2-CD2 3.99Å; Y97-L103 PolarHBondContact O-N 3.21Å; Y98-L103 VanDerWaalsContact CA-O 3.29Å; Y98-L103 WeakPolarHBondContact CA-O 3.49Å; L103-Y113 HydrophobicContact CD2-CD1 3.93Å; L103-Y113 HydrophobicContact CD2-CG 3.94Å; L103-K114 CarbonylContact C-O 3.57Å; L103-K114 WeakPolarHBondContact CA-O 3.27Å; L103-F115 HydrophobicContact CD1-CB 4.48Å; L103-F115 HydrophobicContact CD1-CD1 3.35Å; L103-F115 HydrophobicContact CD1-CD2 4.05Å; L103-F115 HydrophobicContact CD1-CE1 3.4Å; L103-F115 HydrophobicContact CD1-CE2 4.08Å; L103-F115 HydrophobicContact CD1-CG 3.7Å; L103-F115 HydrophobicContact CD1-CZ 3.77Å
104	H	94.9	Very high	94.5	Very high	75 Å²	75	79.1 Å²	79.1	35%	0.347	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.1	167.3	-64.6	105	0	0	0	109.8	R101 Y113 K114 N116	R101-H104 WeakPolarHBondContact CD-NE2 3.45Å; R101-H104 PolarHBondContact NH1-NE2 3.46Å; H104-Y113 CarbonylContact O-C 3.59Å; H104-Y113 WeakPolarHBondContact O-CA 3.4Å; H104-K114 PolarHBondContact N-O 3.01Å; H104-K114 PolarHBondContact O-N 3.31Å; H104-N116 WeakPolarHBondContact CE1-CB 3.32Å; H104-N116 PolarHBondContact CE1-ND2 2.8Å
105	K	95.1	Very high	94.4	Very high	69 Å²	69	79.5 Å²	79.5	30%	0.3	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.8	172.2	173.5	60.4	-163.6	149.5	0	109.1	Y98 K107 K109 T112 Y113	Y98-K105 HydrophobicContact CD1-CB 4.47Å; Y98-K105 HydrophobicContact CE1-CB 3.78Å; Y98-K105 HydrophobicContact CE2-CB 4.13Å; K105-K107 PolarHBondContact O-N 3.49Å; K105-K109 PolarHBondContact NZ-O 3.23Å; K105-T112 WeakPolarHBondContact CD-O 3.23Å; K105-T112 PolarHBondContact NZ-O 3.34Å; K105-Y113 HydrophobicContact CB-CD1 4.37Å; K105-Y113 HydrophobicContact CB-CE1 4.43Å; K105-Y113 HydrophobicContact CD-CD1 3.87Å; K105-Y113 HydrophobicContact CD-CE1 3.56Å
106	T	95.6	Very high	94.1	Very high	28 Å²	28	75.2 Å²	75.2	17%	0.172	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-64.2	125.3	169.9	-40.4	0	0	0	0	109	E63 K109	E63-T106 VanDerWaalsContact OE1-CB 3.29Å; E63-T106 WeakPolarHBondContact OE1-CB 3.35Å; E63-T106 WeakPolarHBondContact OE1-CG2 3.36Å; E63-T106 PolarHBondContact OE1-OG1 2.94Å; T106-K109 HydrophobicContact CG2-CB 4.44Å; T106-K109 HydrophobicContact CG2-CD 3.91Å; T106-K109 HydrophobicContact CG2-CG 4.1Å
107	K	93.6	Very high	93.6	Very high	196 Å²	196	69.8 Å²	69.8	85%	0.852	33%	0.33	S	S	*	.	S	Bend	trans	-71.6	156.1	172.1	-62.4	-176.8	-178.8	-179.8	0	109.6	K105 K109	K105-K107 PolarHBondContact O-N 3.49Å; K107-K109 PolarHBondContact O-N 3.41Å
108	G	93.8	Very high	92.8	Very high	91 Å²	91	74.3 Å²	74.3	94%	0.938	36%	0.356	S	S	*	.	S	Bend	trans	73.8	-47	-178	0	0	0	0	0	115.1
109	K	94.1	Very high	91.6	Very high	75 Å²	75	76.6 Å²	76.6	33%	0.326	37%	0.368	S	S	.	.	S	Bend	trans	-80.8	128.6	-176.9	-52.4	-176.1	-168.8	170.1	0	112.6	Q57 E63 K105 T106 K107 T112	Q57-K109 VanDerWaalsContact NE2-NZ 3.18Å; E63-K109 IonicContact OE1-NZ 3.03Å; E63-K109 PolarHBondContact OE1-NZ 3.45Å; E63-K109 VanDerWaalsContact OE1-NZ 3.16Å; E63-K109 IonicContact OE2-NZ 2.84Å; E63-K109 PolarHBondContact OE2-NZ 3.13Å; K105-K109 PolarHBondContact NZ-O 3.23Å; T106-K109 HydrophobicContact CG2-CB 4.44Å; T106-K109 HydrophobicContact CG2-CD 3.91Å; T106-K109 HydrophobicContact CG2-CG 4.1Å; K107-K109 PolarHBondContact O-N 3.41Å; K109-T112 VanDerWaalsContact CB-OG1 3.27Å; K109-T112 WeakPolarHBondContact CB-OG1 3.33Å; K109-T112 HydrophobicContact CD-CG2 3.98Å
110	R	95.3	Very high	90.5	Very high	194 Å²	194	70.1 Å²	70.1	73%	0.732	33%	0.333	S	S	*	.	S	Bend	trans	-70.1	141.7	170.6	-68.7	-174.2	69.1	-168.1	0.6	110.3	T112	R110-T112 PolarHBondContact O-N 3.22Å; R110-T112 PolarHBondContact O-OG1 3.5Å
111	F	96.6	Very high	89.2	Confident	53 Å²	53	66.8 Å²	66.8	23%	0.232	32%	0.324	C	S	.	.	S	Bend	trans	54.4	2.1	175.4	-49.1	-49.4	0	0	0	118.4	I66 P69 Y87 Y113	I66-F111 HydrophobicContact CB-CB 4.23Å; I66-F111 PolarHBondContact N-O 3.3Å; I66-F111 WeakPolarHBondContact O-CB 3.36Å; P69-F111 HydrophobicContact CG-CE2 4.12Å; P69-F111 HydrophobicContact CG-CZ 4.11Å; Y87-F111 HydrophobicContact CD1-CE1 4.3Å; Y87-F111 AromaticContact CE1-CD1 3.89Å; Y87-F111 HydrophobicContact CE1-CD1 3.89Å; Y87-F111 AromaticContact CE1-CE1 3.67Å; Y87-F111 HydrophobicContact CE1-CE1 3.67Å; Y87-F111 AromaticContact CZ-CD1 3.78Å; F111-Y113 WeakPolarHBondContact O-CD2 3.12Å; F111-Y113 WeakPolarHBondContact O-CE2 3.31Å
112	T	96.4	Very high	87	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	141.5	173.9	-39.1	0	0	0	0	113.4	E63 F64 V65 K105 K109 R110	E63-T112 VanDerWaalsContact CD-CG2 3.49Å; E63-T112 HydrophobicContact CG-CG2 3.42Å; E63-T112 VanDerWaalsContact CG-CG2 3.42Å; E63-T112 VanDerWaalsContact OE1-CG2 3.23Å; E63-T112 WeakPolarHBondContact OE1-CG2 3.01Å; F64-T112 CarbonylContact O-C 3.54Å; F64-T112 VanDerWaalsContact O-CA 3.27Å; F64-T112 WeakPolarHBondContact O-CA 3.46Å; F64-T112 WeakPolarHBondContact O-CG2 3.28Å; V65-T112 HydrophobicContact CB-CG2 4.33Å; K105-T112 WeakPolarHBondContact CD-O 3.23Å; K105-T112 PolarHBondContact NZ-O 3.34Å; K109-T112 VanDerWaalsContact CB-OG1 3.27Å; K109-T112 WeakPolarHBondContact CB-OG1 3.33Å; K109-T112 HydrophobicContact CD-CG2 3.98Å; R110-T112 PolarHBondContact O-N 3.22Å; R110-T112 PolarHBondContact O-OG1 3.5Å
113	Y	96.6	Very high	85	Confident	11 Å²	11	69 Å²	69	4%	0.043	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	155.2	179.4	-59.5	-93.6	0	0	0	110.3	E63 F64 I66 Y87 L94 Y98 L103 H104 K105 F111	E63-Y113 CarbonylContact C-O 3.59Å; E63-Y113 WeakPolarHBondContact CA-O 3.5Å; F64-Y113 VanDerWaalsContact CD1-O 3.24Å; F64-Y113 WeakPolarHBondContact CD1-O 3.48Å; F64-Y113 HydrophobicContact CE2-CD2 4.28Å; F64-Y113 HydrophobicContact CZ-CD2 4.2Å; F64-Y113 HydrophobicContact CZ-CG 4.26Å; F64-Y113 PolarHBondContact N-O 3.17Å; F64-Y113 PolarHBondContact O-N 3.47Å; I66-Y113 HydrophobicContact CD1-CE2 4.31Å; Y87-Y113 PolarHBondContact OH-OH 3.32Å; L94-Y113 HydrophobicContact CB-CE1 4.21Å; L94-Y113 HydrophobicContact CD1-CD2 4.44Å; L94-Y113 HydrophobicContact CD1-CE1 4.17Å; L94-Y113 HydrophobicContact CD1-CE2 3.82Å; Y98-Y113 HydrophobicContact CE1-CD1 4.23Å; Y98-Y113 HydrophobicContact CE1-CE1 4.07Å; L103-Y113 HydrophobicContact CD2-CD1 3.93Å; L103-Y113 HydrophobicContact CD2-CG 3.94Å; H104-Y113 CarbonylContact O-C 3.59Å; H104-Y113 WeakPolarHBondContact O-CA 3.4Å; K105-Y113 HydrophobicContact CB-CD1 4.37Å; K105-Y113 HydrophobicContact CB-CE1 4.43Å; K105-Y113 HydrophobicContact CD-CD1 3.87Å; K105-Y113 HydrophobicContact CD-CE1 3.56Å; F111-Y113 WeakPolarHBondContact O-CD2 3.12Å; F111-Y113 WeakPolarHBondContact O-CE2 3.31Å
114	K	94.6	Very high	82.5	Confident	73 Å²	73	72 Å²	72	32%	0.317	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.2	177.9	-164.7	164.5	-172.7	173.9	0	111.4	E60 Y61 G62 E63 L103 H104	E60-K114 IonicContact OE2-NZ 2.77Å; E60-K114 PolarHBondContact OE2-NZ 2.86Å; Y61-K114 WeakPolarHBondContact O-CE 3.16Å; G62-K114 CarbonylContact O-C 3.57Å; G62-K114 WeakPolarHBondContact O-CA 3.31Å; E63-K114 HydrophobicContact CB-CB 4.4Å; E63-K114 HydrophobicContact CB-CD 4.32Å; E63-K114 HydrophobicContact CB-CG 4.19Å; L103-K114 CarbonylContact C-O 3.57Å; L103-K114 WeakPolarHBondContact CA-O 3.27Å; H104-K114 PolarHBondContact N-O 3.01Å; H104-K114 PolarHBondContact O-N 3.31Å
115	F	94.4	Very high	79.8	Confident	7 Å²	7	72.2 Å²	72.2	3%	0.031	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	137.6	172	-85.5	-81.7	0	0	0	110.7	W38 I41 L42 L45 W56 G62 F64 L103 F117 L120	W38-F115 HydrophobicContact CB-CE1 4.27Å; W38-F115 HydrophobicContact CE3-CE1 4.3Å; I41-F115 HydrophobicContact CB-CZ 4.35Å; I41-F115 HydrophobicContact CG2-CE2 3.85Å; I41-F115 HydrophobicContact CG2-CZ 3.77Å; L42-F115 HydrophobicContact CD1-CE1 4.09Å; L42-F115 HydrophobicContact CD1-CZ 4.36Å; L42-F115 HydrophobicContact CD2-CD1 4.2Å; L42-F115 HydrophobicContact CD2-CD2 3.96Å; L42-F115 HydrophobicContact CD2-CE1 3.85Å; L42-F115 HydrophobicContact CD2-CE2 3.58Å; L42-F115 HydrophobicContact CD2-CG 4.26Å; L42-F115 HydrophobicContact CD2-CZ 3.53Å; L42-F115 HydrophobicContact CG-CE1 3.81Å; L42-F115 HydrophobicContact CG-CE2 4.15Å; L42-F115 HydrophobicContact CG-CZ 3.58Å; L45-F115 HydrophobicContact CD1-CE2 3.97Å; W56-F115 AromaticContact CH2-CD2 3.79Å; W56-F115 HydrophobicContact CH2-CD2 3.79Å; W56-F115 HydrophobicContact CH2-CE2 4.13Å; W56-F115 AromaticContact CZ3-CD2 3.86Å; W56-F115 HydrophobicContact CZ3-CD2 3.86Å; W56-F115 HydrophobicContact CZ3-CE2 4.44Å; G62-F115 PolarHBondContact O-N 2.82Å; F64-F115 AromaticContact CD1-CD2 3.56Å; F64-F115 HydrophobicContact CD1-CD2 3.56Å; F64-F115 AromaticContact CD1-CE2 3.56Å; F64-F115 HydrophobicContact CD1-CE2 3.56Å; F64-F115 AromaticContact CE1-CD2 3.5Å; F64-F115 HydrophobicContact CE1-CD2 3.5Å; F64-F115 VanDerWaalsContact CE1-CD2 3.5Å; F64-F115 AromaticContact CE1-CE2 3.25Å; F64-F115 HydrophobicContact CE1-CE2 3.25Å; F64-F115 HydrophobicContact CE1-CZ 4.13Å; F64-F115 HydrophobicContact CG-CE2 4.49Å; F64-F115 HydrophobicContact CZ-CE2 4Å; L103-F115 HydrophobicContact CD1-CB 4.48Å; L103-F115 HydrophobicContact CD1-CD1 3.35Å; L103-F115 HydrophobicContact CD1-CD2 4.05Å; L103-F115 HydrophobicContact CD1-CE1 3.4Å; L103-F115 HydrophobicContact CD1-CE2 4.08Å; L103-F115 HydrophobicContact CD1-CG 3.7Å; L103-F115 HydrophobicContact CD1-CZ 3.77Å; F115-F117 HydrophobicContact CB-CD1 4.46Å; F115-F117 HydrophobicContact CB-CD2 4.41Å; F115-F117 HydrophobicContact CB-CE1 4.09Å; F115-F117 HydrophobicContact CB-CE2 4.06Å; F115-F117 HydrophobicContact CB-CZ 3.88Å; F115-F117 HydrophobicContact CG-CE1 4.45Å; F115-F117 HydrophobicContact CG-CZ 4.4Å; F115-F117 PolarHBondContact O-N 2.73Å; F115-L120 HydrophobicContact CD1-CD1 3.75Å; F115-L120 HydrophobicContact CE1-CD1 4.4Å
116	N	91	Very high	77.4	Confident	25 Å²	25	73.2 Å²	73.2	13%	0.134	38%	0.378	C	S	.	.			trans	-100.8	76.1	174.5	-178.7	12.2	0	0	0	110.1	R101 I102 H104 N118 K119 L120	R101-N116 VanDerWaalsContact O-CB 3.26Å; R101-N116 WeakPolarHBondContact O-CB 3.26Å; R101-N116 PolarHBondContact O-ND2 3.02Å; I102-N116 PolarHBondContact O-N 3.08Å; I102-N116 VanDerWaalsContact O-N 3.07Å; H104-N116 WeakPolarHBondContact CE1-CB 3.32Å; H104-N116 PolarHBondContact CE1-ND2 2.8Å; N116-N118 PolarHBondContact O-N 3.15Å; N116-N118 VanDerWaalsContact O-N 3.16Å; N116-K119 WeakPolarHBondContact ND2-CG 3.29Å; N116-K119 PolarHBondContact O-N 3.29Å; N116-L120 PolarHBondContact O-N 3.29Å
117	F	83.5	Confident	74.9	Confident	26 Å²	26	81.4 Å²	81.4	11%	0.114	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-35.2	-178	-65.6	-63.4	0	0	0	112.7	F19 L42 W56 Y61 F115 K119 L120 V121	F19-F117 HydrophobicContact CE1-CE1 4.25Å; L42-F117 HydrophobicContact CD2-CE1 4.32Å; W56-F117 AromaticContact CH2-CZ 3.97Å; W56-F117 HydrophobicContact CH2-CZ 3.97Å; W56-F117 HydrophobicContact CZ3-CZ 4.44Å; Y61-F117 HydrophobicContact CD1-CD2 4.24Å; Y61-F117 AromaticContact CE1-CD2 3.51Å; Y61-F117 HydrophobicContact CE1-CD2 3.51Å; Y61-F117 AromaticContact CE1-CE2 3.98Å; Y61-F117 HydrophobicContact CE1-CE2 3.98Å; Y61-F117 HydrophobicContact CE1-CG 4.48Å; Y61-F117 AromaticContact CZ-CD2 3.87Å; F115-F117 HydrophobicContact CB-CD1 4.46Å; F115-F117 HydrophobicContact CB-CD2 4.41Å; F115-F117 HydrophobicContact CB-CE1 4.09Å; F115-F117 HydrophobicContact CB-CE2 4.06Å; F115-F117 HydrophobicContact CB-CZ 3.88Å; F115-F117 HydrophobicContact CG-CE1 4.45Å; F115-F117 HydrophobicContact CG-CZ 4.4Å; F115-F117 PolarHBondContact O-N 2.73Å; F117-K119 PolarHBondContact O-N 3.34Å; F117-K119 VanDerWaalsContact O-N 3.14Å; F117-L120 PolarHBondContact O-N 2.84Å; F117-V121 WeakPolarHBondContact O-CG2 3.25Å; F117-V121 PolarHBondContact O-N 3.31Å
118	N	78.8	Confident	72.6	Confident	122 Å²	122	76.9 Å²	76.9	65%	0.652	40%	0.396	S	S	*	.	H	α-helix	trans	-55.4	-33.9	176.8	-59.8	-2.6	0	0	0	112.8	N116 M122	N116-N118 PolarHBondContact O-N 3.15Å; N116-N118 VanDerWaalsContact O-N 3.16Å; N118-M122 WeakPolarHBondContact O-CE 3.21Å
119	K	69.3	Low	70.2	Confident	110 Å²	110	78.5 Å²	78.5	48%	0.478	38%	0.382	S	S	.	.	H	α-helix	trans	-103.5	7.8	175.7	-65.1	-62.9	-175.7	-175.1	0	114.2	N116 F117 M122 P123	N116-K119 WeakPolarHBondContact ND2-CG 3.29Å; N116-K119 PolarHBondContact O-N 3.29Å; F117-K119 PolarHBondContact O-N 3.34Å; F117-K119 VanDerWaalsContact O-N 3.14Å; K119-M122 HydrophobicContact CD-CE 4.48Å; K119-P123 WeakPolarHBondContact O-CD 3.26Å; K119-P123 WeakPolarHBondContact O-CG 3.36Å
120	L	69	Low	67.5	Low	11 Å²	11	80.7 Å²	80.7	6%	0.058	40%	0.396	C	S	.	.	H	α-helix	trans	-100.5	-37.4	167.9	-71.6	172.8	0	0	0	112.1	W22 W38 I102 F115 N116 F117	W22-L120 WeakPolarHBondContact CH2-O 3.03Å; W22-L120 VanDerWaalsContact CZ2-O 3.23Å; W22-L120 WeakPolarHBondContact CZ2-O 3.28Å; W38-L120 HydrophobicContact CD2-CD2 4.43Å; W38-L120 HydrophobicContact CE3-CD1 4.26Å; W38-L120 HydrophobicContact CE3-CD2 4.16Å; W38-L120 HydrophobicContact CH2-CD2 3.7Å; W38-L120 HydrophobicContact CZ2-CD2 4Å; W38-L120 HydrophobicContact CZ3-CD1 4.09Å; W38-L120 HydrophobicContact CZ3-CD2 3.8Å; W38-L120 HydrophobicContact CZ3-CG 4.48Å; I102-L120 HydrophobicContact CB-CD2 4.4Å; I102-L120 HydrophobicContact CG1-CD2 3.96Å; I102-L120 HydrophobicContact CG2-CD2 4.14Å; F115-L120 HydrophobicContact CD1-CD1 3.75Å; F115-L120 HydrophobicContact CE1-CD1 4.4Å; N116-L120 PolarHBondContact O-N 3.29Å; F117-L120 PolarHBondContact O-N 2.84Å
121	V	62.2	Low	64.7	Low	65 Å²	65	81.5 Å²	81.5	39%	0.394	40%	0.4	S	S	.	.	H	α-helix	trans	-70.4	-40.6	176	178	0	0	0	0	111.6	F117	F117-V121 WeakPolarHBondContact O-CG2 3.25Å; F117-V121 PolarHBondContact O-N 3.31Å
122	M	45.9	Very low	62	Low	119 Å²	119	84 Å²	84	59%	0.586	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-61.8	-51.2	-177.2	-118.7	-179.8	-88.2	0	0	115.5	N118 K119 N124 Y125	N118-M122 WeakPolarHBondContact O-CE 3.21Å; K119-M122 HydrophobicContact CD-CE 4.48Å; M122-N124 VanDerWaalsContact C-N 3.27Å; M122-N124 PolarHBondContact O-N 2.79Å; M122-Y125 PolarHBondContact O-N 3.01Å
123	P	49.3	Very low	59.1	Low	92 Å²	92	89.6 Å²	89.6	60%	0.597	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-82.5	9.8	-172.4	34.7	-38.7	0	0	0	115	K119	K119-P123 WeakPolarHBondContact O-CD 3.26Å; K119-P123 WeakPolarHBondContact O-CG 3.36Å
124	N	42.6	Very low	56.4	Low	65 Å²	65	92.4 Å²	92.4	35%	0.348	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-128.6	28	168.1	-124.9	-109.5	0	0	0	113.1	W22 M122 P126	W22-N124 HydrophobicContact CD2-CB 3.63Å; W22-N124 HydrophobicContact CE3-CB 3.76Å; W22-N124 HydrophobicContact CG-CB 4.02Å; W22-N124 HydrophobicContact CH2-CB 4.47Å; W22-N124 HydrophobicContact CZ2-CB 4.33Å; W22-N124 HydrophobicContact CZ3-CB 4.19Å; M122-N124 VanDerWaalsContact C-N 3.27Å; M122-N124 PolarHBondContact O-N 2.79Å; N124-P126 WeakPolarHBondContact O-CD 3.35Å
125	Y	38.9	Very low	53.6	Low	79 Å²	79	96.1 Å²	96.1	31%	0.31	52%	0.524	S	S	.	.			trans	-109.2	90.1	174.7	-120.7	-124.8	0	0	0	111.3	M122 F127 I128 I130	M122-Y125 PolarHBondContact O-N 3.01Å; Y125-F127 VanDerWaalsContact C-N 3.26Å; Y125-F127 PolarHBondContact O-N 3.33Å; Y125-I128 HydrophobicContact CD1-CB 4.07Å; Y125-I128 HydrophobicContact CD1-CG1 4.14Å; Y125-I128 WeakPolarHBondContact CD1-O 3.48Å; Y125-I128 HydrophobicContact CE1-CB 3.51Å; Y125-I128 HydrophobicContact CE1-CD1 4.23Å; Y125-I128 HydrophobicContact CE1-CG1 3.86Å; Y125-I128 VanDerWaalsContact CE1-O 3.27Å; Y125-I128 WeakPolarHBondContact CE1-O 3.49Å; Y125-I128 HydrophobicContact CE2-CD1 3.95Å; Y125-I128 HydrophobicContact CE2-CG1 4.35Å; Y125-I130 HydrophobicContact CE1-CD1 3.95Å; Y125-I130 WeakPolarHBondContact OH-CD1 3.2Å
126	P	44.5	Very low	51	Low	90 Å²	90	102.1 Å²	102.1	58%	0.584	56%	0.561	S	S	*	*	S	Bend	trans	-70.9	88.1	163	31	-32.3	0	0	0	108.9	N124 I128	N124-P126 WeakPolarHBondContact O-CD 3.35Å; P126-I128 VanDerWaalsContact C-N 3.34Å; P126-I128 PolarHBondContact O-N 3.44Å; P126-I128 VanDerWaalsContact O-N 3.1Å
127	F	42.2	Very low	49.3	Very low	200 Å²	200	106 Å²	106	88%	0.877	59%	0.588	S	S	*	*	S	Bend	trans	61	22.1	158.3	-33.4	-73.2	0	0	0	118.1	Y125 N129	Y125-F127 VanDerWaalsContact C-N 3.26Å; Y125-F127 PolarHBondContact O-N 3.33Å; F127-N129 PolarHBondContact O-N 3.25Å
128	I	45.8	Very low	47	Very low	102 Å²	102	114.1 Å²	114.1	52%	0.523	63%	0.626	S	S	.	*			trans	-77.2	119	172.1	-21.6	-176.3	0	0	0	109.6	Y125 P126 I130	Y125-I128 HydrophobicContact CD1-CB 4.07Å; Y125-I128 HydrophobicContact CD1-CG1 4.14Å; Y125-I128 WeakPolarHBondContact CD1-O 3.48Å; Y125-I128 HydrophobicContact CE1-CB 3.51Å; Y125-I128 HydrophobicContact CE1-CD1 4.23Å; Y125-I128 HydrophobicContact CE1-CG1 3.86Å; Y125-I128 VanDerWaalsContact CE1-O 3.27Å; Y125-I128 WeakPolarHBondContact CE1-O 3.49Å; Y125-I128 HydrophobicContact CE2-CD1 3.95Å; Y125-I128 HydrophobicContact CE2-CG1 4.35Å; P126-I128 VanDerWaalsContact C-N 3.34Å; P126-I128 PolarHBondContact O-N 3.44Å; P126-I128 VanDerWaalsContact O-N 3.1Å; I128-I130 PolarHBondContact O-N 3.47Å
129	N	42.5	Very low	45.2	Very low	124 Å²	124	113.7 Å²	113.7	66%	0.663	63%	0.632	S	S	*	*			trans	-84.8	88.3	-172.8	-179.4	14	0	0	0	111.2	F127 R131	F127-N129 PolarHBondContact O-N 3.25Å; N129-R131 PolarHBondContact O-N 3.23Å
130	I	38.7	Very low	43.5	Very low	121 Å²	121	113.1 Å²	113.1	62%	0.621	65%	0.648	S	S	*	*			trans	-73.7	96.2	165.7	-85.8	56.8	0	0	0	108	Y125 I128	Y125-I130 HydrophobicContact CE1-CD1 3.95Å; Y125-I130 WeakPolarHBondContact OH-CD1 3.2Å; I128-I130 PolarHBondContact O-N 3.47Å
131	R	36.8	Very low	42.5	Very low	211 Å²	211	117.8 Å²	117.8	80%	0.796	68%	0.679	S	S	*	*			trans	-84.4	138.5	145.1	-70.3	-172.7	172.4	-165.3	-1.5	107.8	N129 S133	N129-R131 PolarHBondContact O-N 3.23Å; R131-S133 PolarHBondContact O-N 3.1Å
132	S	38.2	Very low	41.3	Very low	107 Å²	107	121 Å²	121	75%	0.748	70%	0.701	S	S	*	*			trans	-64.2	126.7	177.5	-54.7	0	0	0	0	111.1
133	S	37.3	Very low	41.3	Very low	121 Å²	121	121.4 Å²	121.4	85%	0.846	71%	0.71	S	S	*	*			trans	21.1	107.8	157.4	57.2	0	0	0	0	118.4	R131	R131-S133 PolarHBondContact O-N 3.1Å
134	G	39.4	Very low	41.2	Very low	71 Å²	71	122.4 Å²	122.4	73%	0.732	72%	0.717	S	S	*	*			trans	-177	73.3	172	0	0	0	0	0	116.9
135	V	35.8	Very low	40.9	Very low	151 Å²	151	125.4 Å²	125.4	92%	0.915	74%	0.738	S	S	*	*			trans	67.6	163.6	164.9	-169.2	0	0	0	0	115.3
136	V	38.9	Very low	40.7	Very low	133 Å²	133	126.1 Å²	126.1	81%	0.806	76%	0.759	S	S	*	*			trans	-116.2	-174.7	-167.2	-136	0	0	0	0	111.2
137	P	56.2	Low	40.3	Very low	106 Å²	106	127.9 Å²	127.9	69%	0.688	77%	0.774	S	S	*	*				-103.8	163.5	-124.6	40.8	-28	0	0	0	115
138	Q	33.7	Very low	40	Very low	197 Å²	197	122.6 Å²	122.6	92%	0.921	76%	0.762	S	S	*	*			trans	-165.5	175	139.6	-112.1	164.3	40.5	0	0	113.5
139	S	42.7	Very low	39.6	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	78%	0.775	S	S	*	*			trans	-81.5	149.9	-164.2	-49.8	0	0	0	0	115.2
140	A	32.5	Very low	39.4	Very low	97 Å²	97	130.5 Å²	130.5	80%	0.802	78%	0.781	S	S	*	*			trans	69.9	159.5	164.5	0	0	0	0	0	117.3
141	P	47.5	Very low	39.3	Very low	110 Å²	110	132 Å²	132	71%	0.714	79%	0.785	S	S	*	*			trans	-111.3	164.5	-161.9	40.7	-33.2	0	0	0	115.1
142	P	38.1	Very low	39.4	Very low	132 Å²	132	131.2 Å²	131.2	86%	0.857	79%	0.788	S	S	*	*			trans	-113	135.8	142.3	34.1	-27.4	0	0	0	112.1
143	V	46.5	Very low	39.5	Very low	128 Å²	128	131.7 Å²	131.7	78%	0.776	79%	0.789	S	S	*	*			trans	-106.6	139.6	172.9	168.3	0	0	0	0	105.1
144	P	45.5	Very low	40	Very low	113 Å²	113	131.3 Å²	131.3	73%	0.734	78%	0.783	S	S	*	*				-157.7	-178	87	43.1	-21.7	0	0	0	119
145	T	36.6	Very low	39.9	Very low	128 Å²	128	135.7 Å²	135.7	79%	0.785	79%	0.789	S	S	*	*			trans	77	76.4	156.1	-47.2	0	0	0	0	117.2
146	A	35.8	Very low	39.7	Very low	93 Å²	93	135.1 Å²	135.1	77%	0.769	78%	0.781	S	S	*	*			trans	-79.5	126	150.2	0	0	0	0	0	109.7	S148	A146-S148 PolarHBondContact O-N 3.14Å
147	S	36	Very low	39.5	Very low	128 Å²	128	134.3 Å²	134.3	90%	0.895	78%	0.776	S	S	*	*			trans	-76.7	99.7	167.2	-174.5	0	0	0	0	109
148	S	36.4	Very low	38.4	Very low	89 Å²	89	137.7 Å²	137.7	62%	0.622	78%	0.783	S	S	*	*			trans	-124.8	115.3	177.1	-167.9	0	0	0	0	110.5	A146 F150	A146-S148 PolarHBondContact O-N 3.14Å; S148-F150 PolarHBondContact O-N 3.13Å
149	R	35.8	Very low	38.3	Very low	211 Å²	211	134 Å²	134	80%	0.796	78%	0.778	S	S	*	*			trans	-84.4	96.6	-171.1	-178.3	-177	-68.2	133.4	-2.3	110.9	H151	R149-H151 WeakPolarHBondContact CD-NE2 3.27Å
150	F	39.3	Very low	38.8	Very low	181 Å²	181	134.2 Å²	134.2	79%	0.794	78%	0.777	S	S	*	*			trans	-87.4	138.7	164	-82	-88.9	0	0	0	110.7	S148	S148-F150 PolarHBondContact O-N 3.13Å
151	H	36	Very low	38.8	Very low	153 Å²	153	135.8 Å²	135.8	71%	0.708	78%	0.777	S	S	*	*			trans	-106.2	142.6	177	-79.5	-101.9	0	0	0	110.9	R149	R149-H151 WeakPolarHBondContact CD-NE2 3.27Å
152	F	38.3	Very low	38.1	Very low	193 Å²	193	135.4 Å²	135.4	85%	0.846	78%	0.777	S	S	*	*			trans	-134.8	133.6	163	-78.7	-84.6	0	0	0	109.4
153	P	41.6	Very low	37.9	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	78%	0.775	S	S	*	*			trans	-104.4	176.4	164.9	39.9	-32.8	0	0	0	111.1
154	P	47.8	Very low	37.3	Very low	112 Å²	112	136.3 Å²	136.3	73%	0.727	77%	0.774	S	S	*	*			cis	-123.1	173.8	-20.7	38	-24.3	0	0	0	112.4
155	L	35.9	Very low	36.9	Very low	163 Å²	163	139 Å²	139	85%	0.853	78%	0.777	S	S	*	*				178.1	150.2	121.1	-97.6	166.3	0	0	0	111.1
156	D	33.1	Very low	37.4	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	78%	0.779	S	S	*	*			trans	-75.2	147.3	178	-50.8	-96.4	0	0	0	112.4
157	T	33.7	Very low	37.2	Very low	116 Å²	116	137.5 Å²	137.5	71%	0.712	77%	0.773	S	S	*	*				-174.5	128.5	118.5	19.9	0	0	0	0	114.3
158	H	33.1	Very low	37.5	Very low	178 Å²	178	141.7 Å²	141.7	82%	0.824	77%	0.769	S	S	*	*			trans	67	160.1	152.2	-57.2	-47.4	0	0	0	121.3
159	S	32.9	Very low	37.2	Very low	119 Å²	119	146.5 Å²	146.5	83%	0.832	78%	0.779	S	S	*	*			trans	-115.6	-152.6	-158.4	-51.2	0	0	0	0	111.8
160	P	52.1	Low	37.2	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	78%	0.779	S	S	*	*				-113.3	-178.5	-119.7	41.8	-26.4	0	0	0	113.7
161	T	32.6	Very low	36.9	Very low	130 Å²	130	137.6 Å²	137.6	80%	0.798	78%	0.777	S	S	*	*			trans	-173.8	152.2	143.1	35.4	0	0	0	0	113
162	S	32.5	Very low	36.7	Very low	103 Å²	103	135.4 Å²	135.4	72%	0.72	78%	0.78	S	S	*	*			trans	55.3	150.8	143	59.4	0	0	0	0	122.4
163	D	34.1	Very low	36.3	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	77%	0.774	S	S	*	*			cis	-170.1	-162.9	-30.7	-144.9	-73.2	0	0	0	108.1
164	V	34.4	Very low	36	Very low	125 Å²	125	132.6 Å²	132.6	76%	0.758	77%	0.774	S	S	*	*			trans	80.7	90.2	161.9	-164.2	0	0	0	0	118
165	Q	37.9	Very low	35.5	Very low	170 Å²	170	133.6 Å²	133.6	79%	0.794	78%	0.779	S	S	*	*			trans	-87	178.6	135.5	-74.2	-76	-20.5	0	0	108.4
166	P	47.3	Very low	35.3	Very low	126 Å²	126	130 Å²	130	82%	0.818	77%	0.772	S	S	*	*			cis	-146.5	-166.9	15.4	45	-24.7	0	0	0	116.8
167	G	30.7	Very low	35.2	Very low	63 Å²	63	129.5 Å²	129.5	65%	0.649	78%	0.78	S	S	*	*			trans	125	104	154.4	0	0	0	0	0	114.7
168	R	41.2	Very low	35	Very low	216 Å²	216	127.2 Å²	127.2	82%	0.815	78%	0.779	S	S	*	*				59.6	108.1	71.9	-70.9	-166.4	176	-168.5	0.6	115.7
169	F	30.5	Very low	34.9	Very low	190 Å²	190	127.3 Å²	127.3	83%	0.833	78%	0.78	S	S	*	*				-177.2	-175.5	93.6	-99.5	-65.1	0	0	0	112.1
170	S	36.1	Very low	34.7	Very low	114 Å²	114	129.4 Å²	129.4	80%	0.797	78%	0.777	S	S	*	*			trans	-121.5	165.7	-161.7	-45.9	0	0	0	0	114
171	A	32.4	Very low	33.9	Very low	91 Å²	91	127.9 Å²	127.9	75%	0.752	77%	0.768	S	S	*	*			trans	135.4	127.5	132.5	0	0	0	0	0	116.9
172	S	31.7	Very low	33.9	Very low	108 Å²	108	126.8 Å²	126.8	76%	0.755	77%	0.766	S	S	*	*			trans	34	130.2	136.9	-43.8	0	0	0	0	122.2
173	S	30.7	Very low	33.8	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	77%	0.773	S	S	*	*				165.7	138.5	93.9	-90.1	0	0	0	0	117.6
174	L	36.4	Very low	33.6	Very low	149 Å²	149	125.3 Å²	125.3	78%	0.78	77%	0.765	S	S	*	*			trans	74.6	139.5	134.2	-69.8	172.1	0	0	0	124.6
175	T	35.8	Very low	33.7	Very low	133 Å²	133	126.4 Å²	126.4	82%	0.816	77%	0.772	S	S	*	*			trans	67.5	154.4	148.3	51.5	0	0	0	0	120.6
176	A	31.5	Very low	33.7	Very low	87 Å²	87	125.3 Å²	125.3	72%	0.719	77%	0.772	S	S	*	*			cis	-170.2	-179.6	-24.3	0	0	0	0	0	110
177	S	31.5	Very low	33.2	Very low	129 Å²	129	131.2 Å²	131.2	90%	0.902	78%	0.778	S	S	*	*			trans	69.7	140.6	179.1	77.6	0	0	0	0	117.4
178	G	29.6	Very low	33.2	Very low	68 Å²	68	136.4 Å²	136.4	70%	0.701	78%	0.782	S	S	*	*			cis	130.2	156.1	-12.9	0	0	0	0	0	114.9
179	Q	30.6	Very low	32.8	Very low	179 Å²	179	130.8 Å²	130.8	84%	0.836	78%	0.783	S	S	*	*			trans	73	108.6	-178.9	-124.9	157.9	9.1	0	0	114.1
180	E	29.2	Very low	32.5	Very low	164 Å²	164	128.8 Å²	128.8	77%	0.766	78%	0.776	S	S	*	*				81.1	149.8	51.5	-69.3	-167.9	93.1	0	0	114.2
181	S	34.7	Very low	32.2	Very low	84 Å²	84	129.5 Å²	129.5	59%	0.587	77%	0.77	S	S	*	*			cis	-172.4	170	-14.2	-95.8	0	0	0	0	109.8
182	S	32.9	Very low	32.1	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	77%	0.774	S	S	*	*			trans	67.3	153.5	158.3	75.2	0	0	0	0	118.2
183	N	30.1	Very low	32.1	Very low	162 Å²	162	133.8 Å²	133.8	87%	0.866	78%	0.776	S	S	*	*			cis	-153.7	164.2	-18.4	-92.8	-13.5	0	0	0	105.7
184	G	30	Very low	32.3	Very low	63 Å²	63	135.8 Å²	135.8	65%	0.649	78%	0.778	S	S	*	*			cis	128.9	118.7	4.3	0	0	0	0	0	111.5
185	T	36	Very low	32.1	Very low	148 Å²	148	136.6 Å²	136.6	91%	0.908	78%	0.778	S	S	*	*			trans	-175.4	140	157.7	23.9	0	0	0	0	112.9
186	D	37.7	Very low	31.9	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	78%	0.775	S	S	*	*			trans	-69.8	160.4	176.3	-59.3	-116	0	0	0	115.9
187	R	38.2	Very low	31.8	Very low	250 Å²	250	135.5 Å²	135.5	94%	0.943	77%	0.767	S	S	*	*				-146	133.1	122.7	-89.8	-160.2	165.6	62.9	0.9	113.8
188	K	31.2	Very low	31.5	Very low	171 Å²	171	135.2 Å²	135.2	74%	0.743	77%	0.765	S	S	*	*			trans	-66.8	143.3	179.3	164.9	-175.9	175.7	171.8	0	114.5	E190	K188-E190 WeakPolarHBondContact CE-OE2 3.47Å; K188-E190 IonicContact NZ-OE2 2.92Å; K188-E190 PolarHBondContact NZ-OE2 3.09Å
189	A	31.9	Very low	31.7	Very low	99 Å²	99	137 Å²	137	82%	0.818	77%	0.773	S	S	*	*			trans	-154.6	136.8	146.2	0	0	0	0	0	112.1
190	E	24.6	Very low	31.7	Very low	148 Å²	148	132.8 Å²	132.8	69%	0.692	77%	0.769	S	S	*	*			trans	-89.8	-178.7	172.1	-83.9	172.8	82.3	0	0	110.9	K188	K188-E190 WeakPolarHBondContact CE-OE2 3.47Å; K188-E190 IonicContact NZ-OE2 2.92Å; K188-E190 PolarHBondContact NZ-OE2 3.09Å
191	L	29.4	Very low	31.7	Very low	129 Å²	129	130.1 Å²	130.1	68%	0.675	76%	0.76	S	S	*	*			cis	172.4	133.9	-35	-179.9	145.8	0	0	0	105.6
192	S	31.1	Very low	31.5	Very low	120 Å²	120	137.4 Å²	137.4	84%	0.839	78%	0.775	S	S	*	*			trans	-177	129.4	158.5	-85.8	0	0	0	0	110.9
193	E	31.3	Very low	31.2	Very low	168 Å²	168	141.6 Å²	141.6	79%	0.785	77%	0.774	S	S	*	*			trans	-96.9	165.9	174.5	-60.4	155.3	96.2	0	0	110.3
194	L	34.7	Very low	31.3	Very low	146 Å²	146	144.6 Å²	144.6	76%	0.764	77%	0.773	S	S	*	*				-173.4	149.8	107.9	-143.8	68.6	0	0	0	112.3
195	E	32	Very low	31.1	Very low	166 Å²	166	145.6 Å²	145.6	78%	0.776	78%	0.775	S	S	*	*			trans	1.2	162.8	155.7	-69.2	-172.6	93.4	0	0	122.9
196	D	31.6	Very low	30.8	Very low	144 Å²	144	144.5 Å²	144.5	77%	0.77	77%	0.769	S	S	*	*			cis	-173.1	176.5	-25.3	-178.8	39.2	0	0	0	107
197	G	29.3	Very low	30.4	Very low	53 Å²	53	144.6 Å²	144.6	55%	0.546	77%	0.769	S	S	.	*				93	89.7	125.9	0	0	0	0	0	117.4
198	S	26.3	Very low	30.8	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	75%	0.754	S	S	*	*				137.1	126.3	115.7	-167.2	0	0	0	0	114
199	A	32.3	Very low	30.8	Very low	105 Å²	105	137.8 Å²	137.8	87%	0.868	76%	0.761	S	S	*	*			trans	-111.1	123.3	167.2	0	0	0	0	0	109.2
200	A	31.7	Very low	30.6	Very low	92 Å²	92	137.4 Å²	137.4	76%	0.76	75%	0.752	S	S	*	*			trans	-134.1	111.8	173.3	0	0	0	0	0	110.8
201	D	29.4	Very low	30.8	Very low	108 Å²	108	134.6 Å²	134.6	58%	0.578	75%	0.749	S	S	*	*			trans	-59.8	143.1	167.5	-176.6	-8.9	0	0	0	110.3	R203	D201-R203 PolarHBondContact OD1-N 3.2Å
202	W	29.1	Very low	30.8	Very low	236 Å²	236	139.4 Å²	139.4	89%	0.894	76%	0.758	S	S	*	*			trans	-148	122.2	142.9	-91.9	115.2	0	0	0	112.9
203	R	27.8	Very low	30.7	Very low	196 Å²	196	141.2 Å²	141.2	74%	0.74	76%	0.759	S	S	*	*			trans	-79.2	140.7	171.5	-54.5	175.3	-172.6	-106.2	0.3	112.3	D201	D201-R203 PolarHBondContact OD1-N 3.2Å
204	R	31.6	Very low	30.6	Very low	224 Å²	224	137 Å²	137	85%	0.845	75%	0.753	S	S	*	*			trans	-175.6	126.6	132.4	-100	167.3	-72.1	178.2	-0.7	107.5
205	A	26.2	Very low	30.6	Very low	84 Å²	84	138.5 Å²	138.5	69%	0.694	76%	0.76	S	S	*	*			cis	86	92.3	40.6	0	0	0	0	0	114
206	V	30.2	Very low	30.5	Very low	126 Å²	126	134.2 Å²	134.2	76%	0.764	76%	0.76	S	S	*	*			trans	39.2	114.9	140.4	-75.5	0	0	0	0	121.7
207	D	29.7	Very low	30.3	Very low	150 Å²	150	131.4 Å²	131.4	80%	0.802	77%	0.765	S	S	*	*				60.6	177.8	126.7	-90.4	-70.4	0	0	0	120.2
208	P	46.5	Very low	30.3	Very low	98 Å²	98	133.2 Å²	133.2	64%	0.636	78%	0.784	S	S	*	*			cis	-131.9	-178.9	-19.1	27.4	-6	0	0	0	114.7
209	M	29.4	Very low	30.5	Very low	180 Å²	180	130.4 Å²	130.4	89%	0.887	77%	0.774	S	S	*	*			trans	67.8	163.6	147.1	-83.1	-179.5	153.6	0	0	118.7
210	S	27.7	Very low	30.6	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	78%	0.775	S	S	*	*			cis	-166.9	170.7	-24.1	-176.4	0	0	0	0	110.9
211	S	29.9	Very low	30.6	Very low	90 Å²	90	131.9 Å²	131.9	63%	0.629	77%	0.766	S	S	*	*			trans	90.3	121.8	143.4	-60.2	0	0	0	0	120.5
212	R	28.5	Very low	30.8	Very low	230 Å²	230	134.9 Å²	134.9	87%	0.868	78%	0.777	S	S	*	*				48.6	127.8	128.9	-63.8	179	175	177.5	-3	118
213	N	29.5	Very low	31	Very low	157 Å²	157	130.8 Å²	130.8	84%	0.84	77%	0.767	S	S	*	*				-144.3	167.2	55.6	-113.1	-17.2	0	0	0	115.1
214	A	29.9	Very low	31.5	Very low	81 Å²	81	129.8 Å²	129.8	67%	0.669	77%	0.769	S	S	*	*			trans	-122.9	-172.5	167.3	0	0	0	0	0	109.2
215	I	33.8	Very low	31.6	Very low	176 Å²	176	129.8 Å²	129.8	90%	0.903	77%	0.769	S	S	*	*			trans	80.3	126.8	-177.8	-47.7	160.4	0	0	0	112.4
216	G	30	Very low	32.2	Very low	76 Å²	76	135 Å²	135	78%	0.784	78%	0.776	S	S	*	*			cis	151.5	166.5	-9.1	0	0	0	0	0	113.5
217	G	28.6	Very low	32.9	Very low	85 Å²	85	135.3 Å²	135.3	88%	0.876	78%	0.78	S	S	*	*			trans	141.6	140	166.6	0	0	0	0	0	115.3
218	G	27.6	Very low	33.1	Very low	91 Å²	91	135.2 Å²	135.2	94%	0.938	78%	0.78	S	S	*	*			trans	97.5	131.8	173.2	0	0	0	0	0	115.1
219	G	30.5	Very low	32.7	Very low	64 Å²	64	137 Å²	137	66%	0.66	78%	0.782	S	S	*	*			trans	-172.8	-147.9	-178.1	0	0	0	0	0	112.5
220	I	36	Very low	32.8	Very low	170 Å²	170	137 Å²	137	87%	0.872	78%	0.782	S	S	*	*			trans	78.7	134.3	-171.5	-47.8	160.8	0	0	0	111.8
221	G	31.5	Very low	33.6	Very low	57 Å²	57	140.4 Å²	140.4	59%	0.588	79%	0.792	S	S	*	*			cis	168.8	176.8	-7.1	0	0	0	0	0	113.1
222	H	33.5	Very low	34.2	Very low	171 Å²	171	142.1 Å²	142.1	79%	0.792	80%	0.801	S	S	*	*			trans	71.1	150.8	172.2	-48.4	-78.3	0	0	0	117
223	Q	33.7	Very low	34.7	Very low	150 Å²	150	138.1 Å²	138.1	70%	0.701	80%	0.797	S	S	*	*			cis	-154.7	166.9	-19	-112.5	-67.7	12	0	0	109.8
224	K	38.5	Very low	35.1	Very low	176 Å²	176	139.7 Å²	139.7	77%	0.765	80%	0.796	S	S	*	*			trans	-79.7	149.4	169.7	-68.7	178.7	176.5	177.7	0	111.8
225	R	32.5	Very low	35.1	Very low	224 Å²	224	140.7 Å²	140.7	85%	0.845	80%	0.804	S	S	*	*				173.5	156.6	106.5	-94.3	178.9	-171.7	96.7	-9.5	113
226	K	38.8	Very low	35.6	Very low	194 Å²	194	143.1 Å²	143.1	84%	0.843	80%	0.802	S	S	*	*			trans	-82.7	162.3	153	-65	-175.6	174.5	-171.7	0	108.8
227	P	45.2	Very low	36.2	Very low	131 Å²	131	145.2 Å²	145.2	85%	0.851	80%	0.802	S	S	*	*				-134.8	-165.9	104	40	-30.7	0	0	0	113.1
228	D	33	Very low	36.4	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	79%	0.792	S	S	*	*			trans	-101.9	-163.7	-173.1	-145	-49.3	0	0	0	111.1
229	I	39	Very low	36.9	Very low	135 Å²	135	148.8 Å²	148.8	69%	0.692	79%	0.791	S	S	*	*			trans	95.6	127.9	146.3	-86.9	163.9	0	0	0	121.8
230	M	30.8	Very low	37.3	Very low	179 Å²	179	156.2 Å²	156.2	88%	0.882	80%	0.801	S	S	*	*			trans	79.2	146.4	152.8	-85.9	-174.3	-70.7	0	0	124.4
231	L	45.4	Very low	37.8	Very low	162 Å²	162	153.3 Å²	153.3	85%	0.848	79%	0.793	S	S	*	*			trans	-98.1	162.3	176.8	-62.4	157	0	0	0	110.7
232	P	42.2	Very low	38.2	Very low	126 Å²	126	157.1 Å²	157.1	82%	0.818	80%	0.8	S	S	*	*			trans	-105.5	157	145.9	35.4	-28.6	0	0	0	112
233	L	39.3	Very low	38.9	Very low	146 Å²	146	154.3 Å²	154.3	76%	0.764	80%	0.797	S	S	*	*			trans	-115.4	162.6	178.9	-99.5	168.7	0	0	0	111.6
234	F	36.4	Very low	39.5	Very low	191 Å²	191	155.2 Å²	155.2	84%	0.838	80%	0.801	S	S	*	*			trans	62.6	113.7	169.8	-64.8	-73.2	0	0	0	119.4
235	A	31.9	Very low	39.9	Very low	101 Å²	101	151.6 Å²	151.6	84%	0.835	80%	0.798	S	S	*	*				-158.3	152.8	110	0	0	0	0	0	110.3
236	R	43.1	Very low	41.1	Very low	228 Å²	228	146.4 Å²	146.4	86%	0.86	79%	0.793	S	S	*	*			trans	-137.3	119.3	173.3	-175.5	-170.3	-169.7	-145	5.2	110.7
237	P	42.8	Very low	41.4	Very low	119 Å²	119	146.1 Å²	146.1	77%	0.773	79%	0.792	S	S	*	*			trans	-97.4	160.8	142.8	-4.8	25.2	0	0	0	109.2
238	G	32.4	Very low	41.3	Very low	66 Å²	66	144.3 Å²	144.3	68%	0.68	79%	0.788	S	S	*	*			cis	131	72.9	11.9	0	0	0	0	0	108	Y240	G238-Y240 PolarHBondContact O-N 3.29Å
239	M	38.3	Very low	41.7	Very low	186 Å²	186	143.2 Å²	143.2	92%	0.916	79%	0.786	S	S	*	*			trans	-75	122.5	-178.8	-70.6	163.2	59.9	0	0	109.9
240	Y	38.7	Very low	41.7	Very low	220 Å²	220	142 Å²	142	86%	0.863	79%	0.79	S	S	*	*			trans	-131.4	133.4	166	-142.7	-89.8	0	0	0	107.9	G238	G238-Y240 PolarHBondContact O-N 3.29Å
241	P	47.2	Very low	42.8	Very low	108 Å²	108	139.3 Å²	139.3	70%	0.701	79%	0.786	S	S	*	*			trans	-79.2	144.1	-176.9	31.3	-34.3	0	0	0	112.2
242	D	40.2	Very low	42.9	Very low	137 Å²	137	139.1 Å²	139.1	73%	0.733	78%	0.784	S	S	*	*			trans	-82.2	124	175.1	-179.4	29.9	0	0	0	110.6	H244	D242-H244 VanDerWaalsContact C-N 3.32Å; D242-H244 PolarHBondContact O-N 3.28Å; D242-H244 VanDerWaalsContact O-N 3.14Å
243	P	46.5	Very low	43.3	Very low	112 Å²	112	139.2 Å²	139.2	73%	0.727	79%	0.785	S	S	*	*	S	Bend	trans	-85.6	28.2	-164.3	34.5	-38.2	0	0	0	116.2
244	H	46.9	Very low	43.2	Very low	170 Å²	170	135.9 Å²	135.9	79%	0.787	79%	0.785	S	S	*	*			trans	-131.7	69.8	178	-72.3	-61.5	0	0	0	114.2	D242	D242-H244 VanDerWaalsContact C-N 3.32Å; D242-H244 PolarHBondContact O-N 3.28Å; D242-H244 VanDerWaalsContact O-N 3.14Å
245	S	46.8	Very low	43.7	Very low	100 Å²	100	139.4 Å²	139.4	70%	0.699	79%	0.793	S	S	*	*			trans	-137.4	122.2	168.8	-173.8	0	0	0	0	111.5	F247	S245-F247 PolarHBondContact O-N 3.14Å
246	P	57.5	Low	43.8	Very low	114 Å²	114	138.6 Å²	138.6	74%	0.74	80%	0.795	S	S	*	*			trans	-95.2	38.3	-163.8	38.7	-38.8	0	0	0	115.3
247	F	46.2	Very low	43.4	Very low	188 Å²	188	131 Å²	131	83%	0.825	79%	0.787	S	S	*	*			trans	-131	142.6	176.5	-71.9	-77.2	0	0	0	112.8	S245	S245-F247 PolarHBondContact O-N 3.14Å
248	A	42	Very low	43.4	Very low	93 Å²	93	131.9 Å²	131.9	77%	0.769	79%	0.79	S	S	*	*			trans	-101.9	134.9	-153.8	0	0	0	0	0	116.1
249	V	41.3	Very low	43.8	Very low	126 Å²	126	135.6 Å²	135.6	76%	0.764	79%	0.794	S	S	*	*				46.3	110.2	125.8	-172.2	0	0	0	0	119
250	S	39.7	Very low	43.8	Very low	109 Å²	109	133.3 Å²	133.3	76%	0.762	79%	0.785	S	S	*	*				34.2	156.2	117.3	-53.3	0	0	0	0	121.4
251	P	54.2	Low	43.8	Very low	124 Å²	124	129.1 Å²	129.1	81%	0.805	78%	0.782	S	S	*	*			cis	-144.8	-170.6	29.8	43.1	-22.1	0	0	0	118.2
252	I	48.1	Very low	43.8	Very low	158 Å²	158	130 Å²	130	81%	0.81	79%	0.788	S	S	*	*			trans	-108	151.3	-176.5	-62.7	156.8	0	0	0	110.6
253	P	50.7	Low	44.1	Very low	127 Å²	127	130.9 Å²	130.9	83%	0.825	79%	0.791	S	S	*	*			trans	-125.2	160.8	135.1	37.3	-29.6	0	0	0	111
254	G	36.5	Very low	43.6	Very low	76 Å²	76	130.6 Å²	130.6	78%	0.784	79%	0.792	S	S	*	*			cis	174.5	152.6	-1	0	0	0	0	0	108.4
255	R	46.4	Very low	44.3	Very low	265 Å²	265	128.6 Å²	128.6	100%	1	79%	0.794	S	S	*	*			trans	-90.7	146.5	-170.1	-94.4	-172.6	176.8	-117.9	7.9	115.3
256	G	33.7	Very low	43.7	Very low	84 Å²	84	129 Å²	129	87%	0.866	80%	0.803	S	S	*	*			trans	156.1	144	155.3	0	0	0	0	0	112.4
257	G	35.7	Very low	42.9	Very low	68 Å²	68	131.5 Å²	131.5	70%	0.701	81%	0.809	S	S	*	*			cis	176.3	147.8	-11.1	0	0	0	0	0	113.1
258	V	41.8	Very low	42.4	Very low	139 Å²	139	128.7 Å²	128.7	84%	0.842	81%	0.813	S	S	*	*			trans	64.8	146.4	160.1	-55.6	0	0	0	0	123.6
259	L	42	Very low	42.3	Very low	144 Å²	144	131.8 Å²	131.8	75%	0.754	82%	0.816	S	S	*	*			trans	92.4	130	157.4	-52.6	-172.6	0	0	0	122.7
260	N	37.8	Very low	42.6	Very low	137 Å²	137	132.2 Å²	132.2	73%	0.733	82%	0.819	S	S	*	*			trans	55.9	122.5	155.9	-53.7	-12.2	0	0	0	120.2
261	V	38.1	Very low	42.9	Very low	132 Å²	132	131.8 Å²	131.8	80%	0.8	81%	0.814	S	S	*	*			cis	70.3	131.2	42.3	-178.3	0	0	0	0	111.7
262	P	48.6	Very low	42.2	Very low	126 Å²	126	133.2 Å²	133.2	82%	0.818	82%	0.821	S	S	*	*			cis	-128.7	-155.3	17.9	35.8	-13.7	0	0	0	115.9
263	I	44.8	Very low	42.4	Very low	156 Å²	156	132.3 Å²	132.3	80%	0.8	82%	0.816	S	S	*	*			trans	-111.6	129.1	-167	-70	165.7	0	0	0	112.7
264	S	36	Very low	41.8	Very low	107 Å²	107	135.9 Å²	135.9	75%	0.748	82%	0.819	S	S	*	*			trans	62.7	-172.8	156.4	-48.2	0	0	0	0	117.4
265	P	61.8	Low	41.7	Very low	127 Å²	127	137.1 Å²	137.1	83%	0.825	82%	0.815	S	S	*	*				-131.7	143.6	-106.9	35.7	-15	0	0	0	116.6
266	A	34.4	Very low	41.2	Very low	108 Å²	108	135.7 Å²	135.7	89%	0.893	81%	0.811	S	S	*	*			trans	-144.3	155	176.4	0	0	0	0	0	115.5
267	L	41.5	Very low	41.1	Very low	167 Å²	167	136.7 Å²	136.7	87%	0.874	81%	0.805	S	S	*	*			trans	-68	158.4	-174.7	-53	163.3	0	0	0	114.4
268	S	35.8	Very low	42.4	Very low	130 Å²	130	138.8 Å²	138.8	91%	0.909	81%	0.806	S	S	*	*				-177.1	172	126.6	-83.9	0	0	0	0	113.6
269	L	39.6	Very low	42.1	Very low	158 Å²	158	137.7 Å²	137.7	83%	0.827	81%	0.805	S	S	*	*			trans	-124.7	168	-167.7	-72.9	158.6	0	0	0	113
270	T	48	Very low	42.6	Very low	135 Å²	135	136.5 Å²	136.5	83%	0.828	81%	0.806	S	S	*	*			trans	68.1	173.4	164.4	66.2	0	0	0	0	116.6
271	P	44.9	Very low	42.7	Very low	100 Å²	100	133.5 Å²	133.5	65%	0.649	81%	0.808	S	S	*	*				-130.8	139.6	-71.6	37.4	-22.7	0	0	0	113.6	I273	P271-I273 PolarHBondContact O-N 3.19Å
272	T	39.3	Very low	42.7	Very low	154 Å²	154	135.2 Å²	135.2	95%	0.945	81%	0.812	S	S	*	*			trans	-79.4	105.3	178.3	-34.3	0	0	0	0	111.9
273	I	52.4	Low	42.4	Very low	138 Å²	138	134.3 Å²	134.3	71%	0.708	81%	0.808	S	S	*	*			trans	-108.2	121.9	165.2	-40.8	171.1	0	0	0	107.1	P271	P271-I273 PolarHBondContact O-N 3.19Å
274	F	38.6	Very low	42.5	Very low	203 Å²	203	132.8 Å²	132.8	89%	0.89	81%	0.808	S	S	*	*			trans	-165.2	137	140.1	-113.5	-69.4	0	0	0	112.6
275	S	33.5	Very low	42.7	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	81%	0.813	S	S	*	*			trans	-64.8	156.8	-173.7	-41.3	0	0	0	0	115.1
276	Y	36.3	Very low	42	Very low	235 Å²	235	137 Å²	137	92%	0.922	81%	0.812	S	S	*	*			trans	-132.9	145	143.8	-135.8	-92.6	0	0	0	110.4
277	S	33.2	Very low	42	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	81%	0.811	S	S	*	*			trans	-99.7	146.3	-169.2	-162.1	0	0	0	0	112.1
278	P	61.1	Low	42.3	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	81%	0.806	S	S	*	*			trans	-100.1	151.4	-173.7	37.8	-34.6	0	0	0	114.4
279	S	36.4	Very low	42.3	Very low	117 Å²	117	134.2 Å²	134.2	82%	0.818	80%	0.799	S	S	*	*			trans	172.6	162.1	152.5	-86.6	0	0	0	0	111.6
280	P	51.9	Low	42.4	Very low	118 Å²	118	132.2 Å²	132.2	77%	0.766	80%	0.798	S	S	*	*			cis	-139.4	147.4	-37.7	37.1	-20.9	0	0	0	114.9
281	G	40.3	Very low	42.5	Very low	75 Å²	75	134 Å²	134	77%	0.773	79%	0.794	S	S	*	*			trans	65.9	128.1	138.9	0	0	0	0	0	122.4
282	L	38.9	Very low	42.9	Very low	168 Å²	168	134.3 Å²	134.3	88%	0.88	80%	0.799	S	S	*	*			trans	-162.3	98.1	134	-105.9	-179.4	0	0	0	111.2
283	S	41.6	Very low	43.8	Very low	107 Å²	107	133 Å²	133	75%	0.748	78%	0.78	S	S	*	*			trans	50.2	171.3	153.8	69.4	0	0	0	0	121.5
284	P	46.8	Very low	44.8	Very low	124 Å²	124	129.7 Å²	129.7	81%	0.805	76%	0.764	S	S	*	*			cis	-119.6	-164.5	-25.6	22.7	0.6	0	0	0	112.7
285	F	41.3	Very low	46.7	Very low	193 Å²	193	123.8 Å²	123.8	85%	0.846	75%	0.746	S	S	*	*			trans	-79.8	160.5	-173	-99	-125	0	0	0	116.4
286	T	46.1	Very low	48.9	Very low	129 Å²	129	123 Å²	123	79%	0.791	73%	0.731	S	S	*	*			trans	57.1	103.1	153.6	52	0	0	0	0	120.6
287	S	34.6	Very low	50.7	Low	125 Å²	125	117.3 Å²	117.3	87%	0.874	71%	0.713	S	S	*	*				-152.9	153.6	111.5	-164.5	0	0	0	0	110.3
288	S	48	Very low	53	Low	111 Å²	111	116.2 Å²	116.2	78%	0.776	70%	0.697	S	S	*	*			trans	-90	136.2	-169.2	50	0	0	0	0	113.8
289	S	34.9	Very low	53.8	Low	110 Å²	110	117 Å²	117	77%	0.769	69%	0.689	S	S	*	*			trans	-140.5	91	161.7	-164.7	0	0	0	0	109.9	F291	S289-F291 PolarHBondContact O-N 3.13Å
290	C	42.3	Very low	55.5	Low	117 Å²	117	117.9 Å²	117.9	79%	0.791	68%	0.68	S	S	*	*			trans	-87.7	85.4	179.1	40.8	0	0	0	0	110.5	S292	C290-S292 PolarHBondContact O-N 3.49Å
291	F	50.1	Low	56.8	Low	172 Å²	172	118.4 Å²	118.4	75%	0.754	67%	0.668	S	S	*	*			trans	-74.6	68.8	176.2	-136.5	-73.4	0	0	0	111.4	S289 F293	S289-F291 PolarHBondContact O-N 3.13Å; F291-F293 AromaticContact CD1-CD2 3.9Å; F291-F293 HydrophobicContact CD1-CD2 3.9Å; F291-F293 AromaticContact CD1-CE2 3.95Å; F291-F293 HydrophobicContact CD1-CE2 3.95Å; F291-F293 HydrophobicContact CE1-CD2 4.18Å; F291-F293 AromaticContact CE1-CE2 3.82Å; F291-F293 HydrophobicContact CE1-CE2 3.82Å; F291-F293 PolarHBondContact O-N 2.73Å
292	S	52.8	Low	58.7	Low	107 Å²	107	119.5 Å²	119.5	75%	0.748	66%	0.655	S	S	*	*			trans	-74.4	86.6	-179.5	178.8	0	0	0	0	111	C290 N294	C290-S292 PolarHBondContact O-N 3.49Å; S292-N294 PolarHBondContact O-N 3.02Å; S292-N294 VanDerWaalsContact O-N 3.14Å
293	F	59.2	Low	60.2	Low	125 Å²	125	117.3 Å²	117.3	55%	0.548	64%	0.64	S	S	.	*			trans	-58.3	116	175.3	-113.3	-85.2	0	0	0	111.3	F291 M298	F291-F293 AromaticContact CD1-CD2 3.9Å; F291-F293 HydrophobicContact CD1-CD2 3.9Å; F291-F293 AromaticContact CD1-CE2 3.95Å; F291-F293 HydrophobicContact CD1-CE2 3.95Å; F291-F293 HydrophobicContact CE1-CD2 4.18Å; F291-F293 AromaticContact CE1-CE2 3.82Å; F291-F293 HydrophobicContact CE1-CE2 3.82Å; F291-F293 PolarHBondContact O-N 2.73Å; F293-M298 HydrophobicContact CD1-CE 4.05Å; F293-M298 HydrophobicContact CE1-CE 4.15Å
294	N	73.6	Confident	61.6	Low	69 Å²	69	115.5 Å²	115.5	37%	0.369	63%	0.627	S	S	.	*			trans	-74.1	128.1	177.2	-178.2	-6.5	0	0	0	109.7	S292 E296 E297 M298	S292-N294 PolarHBondContact O-N 3.02Å; S292-N294 VanDerWaalsContact O-N 3.14Å; N294-E296 PolarHBondContact O-N 2.64Å; N294-E296 PolarHBondContact OD1-N 3.32Å; N294-E296 PolarHBondContact OD1-OE2 3.23Å; N294-E297 HydrophobicContact CB-CB 4.14Å; N294-E297 HydrophobicContact CB-CG 4.06Å; N294-E297 WeakPolarHBondContact O-CB 3.24Å; N294-E297 PolarHBondContact O-N 2.95Å; N294-M298 PolarHBondContact O-N 3.35Å
295	P	77.8	Confident	62.4	Low	79 Å²	79	114.2 Å²	114.2	51%	0.513	61%	0.611	S	S	.	*	H	α-helix	trans	-58.6	-27	176	20	-29.9	0	0	0	113.3	M298 K299	P295-M298 PolarHBondContact O-N 3.19Å; P295-K299 VanDerWaalsContact O-CG 3.27Å; P295-K299 WeakPolarHBondContact O-CG 3.49Å; P295-K299 PolarHBondContact O-N 3.12Å; P295-K299 VanDerWaalsContact O-N 3.07Å
296	E	78.9	Confident	63.2	Low	85 Å²	85	107.5 Å²	107.5	40%	0.397	59%	0.591	S	S	.	*	H	α-helix	trans	-69.7	-38.3	172	-80.9	46.6	-108.3	0	0	112.2	N294 K299 H300	N294-E296 PolarHBondContact O-N 2.64Å; N294-E296 PolarHBondContact OD1-N 3.32Å; N294-E296 PolarHBondContact OD1-OE2 3.23Å; E296-K299 WeakPolarHBondContact O-CB 3.34Å; E296-K299 PolarHBondContact O-N 2.89Å; E296-K299 WeakPolarHBondContact OE1-CE 3.49Å; E296-K299 IonicContact OE1-NZ 3.38Å; E296-K299 PolarHBondContact OE1-NZ 3.03Å; E296-H300 PolarHBondContact O-CD2 2.92Å; E296-H300 PolarHBondContact O-N 3.29Å
297	E	74.9	Confident	63.6	Low	116 Å²	116	103.5 Å²	103.5	54%	0.542	57%	0.567	S	S	.	*	H	α-helix	trans	-65.6	-38.5	173	-77.5	-177.1	129.8	0	0	111.7	N294 K299 H300 Y301	N294-E297 HydrophobicContact CB-CB 4.14Å; N294-E297 HydrophobicContact CB-CG 4.06Å; N294-E297 WeakPolarHBondContact O-CB 3.24Å; N294-E297 PolarHBondContact O-N 2.95Å; E297-K299 VanDerWaalsContact C-N 3.33Å; E297-K299 PolarHBondContact O-N 3.25Å; E297-H300 PolarHBondContact O-N 3.5Å; E297-Y301 VanDerWaalsContact O-CB 3.31Å; E297-Y301 WeakPolarHBondContact O-CB 3.15Å; E297-Y301 PolarHBondContact O-N 2.74Å
298	M	81.6	Confident	64.6	Low	83 Å²	83	100.6 Å²	100.6	41%	0.409	55%	0.547	S	S	.	.	H	α-helix	trans	-61.1	-42.2	173.6	-174.8	61	70.4	0	0	111.3	F293 N294 P295 Y301 L302	F293-M298 HydrophobicContact CD1-CE 4.05Å; F293-M298 HydrophobicContact CE1-CE 4.15Å; N294-M298 PolarHBondContact O-N 3.35Å; P295-M298 PolarHBondContact O-N 3.19Å; M298-Y301 PolarHBondContact O-N 3.46Å; M298-L302 HydrophobicContact CG-CD1 4Å; M298-L302 WeakPolarHBondContact O-CB 3.33Å; M298-L302 VanDerWaalsContact O-CG 3.28Å; M298-L302 WeakPolarHBondContact O-CG 3.49Å; M298-L302 PolarHBondContact O-N 3.41Å; M298-L302 HydrophobicContact SD-CD1 4.18Å; M298-L302 HydrophobicContact SD-CG 4.25Å
299	K	77.3	Confident	64.7	Low	126 Å²	126	99.5 Å²	99.5	55%	0.548	54%	0.536	S	S	.	.	H	α-helix	trans	-62.1	-46.6	173.8	-69.1	163.7	-167.8	171.9	0	111.4	P295 E296 E297 H303	P295-K299 VanDerWaalsContact O-CG 3.27Å; P295-K299 WeakPolarHBondContact O-CG 3.49Å; P295-K299 PolarHBondContact O-N 3.12Å; P295-K299 VanDerWaalsContact O-N 3.07Å; E296-K299 WeakPolarHBondContact O-CB 3.34Å; E296-K299 PolarHBondContact O-N 2.89Å; E296-K299 WeakPolarHBondContact OE1-CE 3.49Å; E296-K299 IonicContact OE1-NZ 3.38Å; E296-K299 PolarHBondContact OE1-NZ 3.03Å; E297-K299 VanDerWaalsContact C-N 3.33Å; E297-K299 PolarHBondContact O-N 3.25Å; K299-H303 WeakPolarHBondContact O-CB 3.36Å; K299-H303 PolarHBondContact O-N 2.98Å
300	H	73.5	Confident	65.5	Low	136 Å²	136	102.3 Å²	102.3	63%	0.63	53%	0.534	S	S	*	.	H	α-helix	trans	-64.3	-39.3	177.4	-82.1	-70.3	0	0	0	112.9	E296 E297 S304	E296-H300 PolarHBondContact O-CD2 2.92Å; E296-H300 PolarHBondContact O-N 3.29Å; E297-H300 PolarHBondContact O-N 3.5Å; H300-S304 WeakPolarHBondContact O-CB 3.48Å; H300-S304 PolarHBondContact O-N 3.47Å; H300-S304 PolarHBondContact O-OG 3.22Å
301	Y	78.4	Confident	65.9	Low	129 Å²	129	102.7 Å²	102.7	51%	0.506	53%	0.529	S	S	.	.	H	α-helix	trans	-62.3	-55.3	175.6	-177.7	-96.2	0	0	0	110.9	E297 M298 H303 S304 Q305	E297-Y301 VanDerWaalsContact O-CB 3.31Å; E297-Y301 WeakPolarHBondContact O-CB 3.15Å; E297-Y301 PolarHBondContact O-N 2.74Å; M298-Y301 PolarHBondContact O-N 3.46Å; Y301-H303 VanDerWaalsContact C-N 3.32Å; Y301-H303 PolarHBondContact O-N 3.46Å; Y301-S304 PolarHBondContact O-N 3.02Å; Y301-S304 PolarHBondContact O-OG 3.12Å; Y301-Q305 WeakPolarHBondContact O-CB 3.43Å; Y301-Q305 PolarHBondContact O-N 2.82Å; Y301-Q305 PolarHBondContact OH-NE2 2.85Å; Y301-Q305 VanDerWaalsContact OH-NE2 3.09Å
302	L	80.2	Confident	65.7	Low	98 Å²	98	102.8 Å²	102.8	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-59.7	-40.8	178.2	-69	170.5	0	0	0	112.2	M298 Q305 A306	M298-L302 HydrophobicContact CG-CD1 4Å; M298-L302 WeakPolarHBondContact O-CB 3.33Å; M298-L302 VanDerWaalsContact O-CG 3.28Å; M298-L302 WeakPolarHBondContact O-CG 3.49Å; M298-L302 PolarHBondContact O-N 3.41Å; M298-L302 HydrophobicContact SD-CD1 4.18Å; M298-L302 HydrophobicContact SD-CG 4.25Å; L302-Q305 PolarHBondContact O-N 3.01Å; L302-A306 PolarHBondContact O-N 3.07Å
303	H	70.8	Confident	65.6	Low	123 Å²	123	106 Å²	106	57%	0.569	53%	0.528	S	S	*	.	H	α-helix	trans	-63.3	-45.6	175.2	-176	-105.6	0	0	0	111.8	K299 Y301 Q305 A306 C307	K299-H303 WeakPolarHBondContact O-CB 3.36Å; K299-H303 PolarHBondContact O-N 2.98Å; Y301-H303 VanDerWaalsContact C-N 3.32Å; Y301-H303 PolarHBondContact O-N 3.46Å; H303-Q305 PolarHBondContact O-N 3.3Å; H303-A306 PolarHBondContact O-N 3.36Å; H303-C307 VanDerWaalsContact CE1-SG 3.54Å; H303-C307 WeakPolarHBondContact O-CB 3.3Å; H303-C307 PolarHBondContact O-N 2.97Å; H303-C307 PolarHBondContact O-SG 3.11Å
304	S	69.9	Low	65.3	Low	68 Å²	68	106 Å²	106	48%	0.476	53%	0.533	S	S	.	.	H	α-helix	trans	-60.2	-36.9	175.9	78.3	0	0	0	0	112.2	H300 Y301 S308	H300-S304 WeakPolarHBondContact O-CB 3.48Å; H300-S304 PolarHBondContact O-N 3.47Å; H300-S304 PolarHBondContact O-OG 3.22Å; Y301-S304 PolarHBondContact O-N 3.02Å; Y301-S304 PolarHBondContact O-OG 3.12Å; S304-S308 WeakPolarHBondContact O-CB 3.49Å; S304-S308 PolarHBondContact O-N 3.45Å
305	Q	63.8	Low	63.8	Low	98 Å²	98	107 Å²	107	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-71.7	-38.3	-179.9	-153.7	155.3	61.3	0	0	111.4	Y301 L302 H303 S308	Y301-Q305 WeakPolarHBondContact O-CB 3.43Å; Y301-Q305 PolarHBondContact O-N 2.82Å; Y301-Q305 PolarHBondContact OH-NE2 2.85Å; Y301-Q305 VanDerWaalsContact OH-NE2 3.09Å; L302-Q305 PolarHBondContact O-N 3.01Å; H303-Q305 PolarHBondContact O-N 3.3Å; Q305-S308 WeakPolarHBondContact O-CB 3.4Å
306	A	59	Low	62.6	Low	51 Å²	51	109 Å²	109	42%	0.421	56%	0.558	S	S	.	*	H	α-helix	trans	-66.9	-47.6	171	0	0	0	0	0	112.5	L302 H303 S308 V309 F310	L302-A306 PolarHBondContact O-N 3.07Å; H303-A306 PolarHBondContact O-N 3.36Å; A306-S308 PolarHBondContact O-N 3.25Å; A306-V309 PolarHBondContact O-N 3.21Å; A306-V309 VanDerWaalsContact O-N 3.09Å; A306-F310 PolarHBondContact O-N 2.98Å
307	C	54.5	Low	61.4	Low	45 Å²	45	115.9 Å²	115.9	30%	0.304	58%	0.58	S	S	.	*	H	α-helix	trans	-62.8	-28.6	177.9	-68.4	0	0	0	0	113	H303 V309 F310 N311	H303-C307 VanDerWaalsContact CE1-SG 3.54Å; H303-C307 WeakPolarHBondContact O-CB 3.3Å; H303-C307 PolarHBondContact O-N 2.97Å; H303-C307 PolarHBondContact O-SG 3.11Å; C307-V309 VanDerWaalsContact C-N 3.35Å; C307-F310 PolarHBondContact O-N 3.1Å; C307-N311 PolarHBondContact O-N 3.5Å; C307-N311 PolarHBondContact O-ND2 2.84Å
308	S	54.4	Low	60.3	Low	65 Å²	65	116.8 Å²	116.8	46%	0.455	59%	0.594	S	S	.	*	H	α-helix	trans	-61.8	-40.9	172.8	-169.5	0	0	0	0	111.8	S304 Q305 A306 F310 Y312	S304-S308 WeakPolarHBondContact O-CB 3.49Å; S304-S308 PolarHBondContact O-N 3.45Å; Q305-S308 WeakPolarHBondContact O-CB 3.4Å; A306-S308 PolarHBondContact O-N 3.25Å; S308-F310 PolarHBondContact O-N 3.02Å; S308-Y312 VanDerWaalsContact O-CD2 3.3Å; S308-Y312 WeakPolarHBondContact O-CD2 3.46Å
309	V	51.5	Low	58.9	Low	87 Å²	87	121.5 Å²	121.5	53%	0.527	61%	0.613	S	S	.	*	H	α-helix	trans	-65	-39.9	177.8	-179.9	0	0	0	0	111.8	A306 C307	A306-V309 PolarHBondContact O-N 3.21Å; A306-V309 VanDerWaalsContact O-N 3.09Å; C307-V309 VanDerWaalsContact C-N 3.35Å
310	F	51.1	Low	57.6	Low	170 Å²	170	120.1 Å²	120.1	75%	0.746	62%	0.617	S	S	*	*	H	α-helix	trans	-71.5	-38.3	-178.6	-82.7	-80.9	0	0	0	113.9	A306 C307 S308 Y312 H313	A306-F310 PolarHBondContact O-N 2.98Å; C307-F310 PolarHBondContact O-N 3.1Å; S308-F310 PolarHBondContact O-N 3.02Å; F310-Y312 PolarHBondContact O-N 3.03Å; F310-H313 PolarHBondContact O-N 2.94Å
311	N	50.8	Low	56.1	Low	125 Å²	125	125.4 Å²	125.4	67%	0.668	63%	0.631	S	S	*	*	H	α-helix	trans	-67.4	-16.3	-174.7	-86.3	-78.2	0	0	0	114.9	C307	C307-N311 PolarHBondContact O-N 3.5Å; C307-N311 PolarHBondContact O-ND2 2.84Å
312	Y	45.4	Very low	54.8	Low	173 Å²	173	128.9 Å²	128.9	68%	0.678	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	5.1	-179.9	-73.3	-67	0	0	0	114.9	S308 F310 L314	S308-Y312 VanDerWaalsContact O-CD2 3.3Å; S308-Y312 WeakPolarHBondContact O-CD2 3.46Å; F310-Y312 PolarHBondContact O-N 3.03Å; Y312-L314 PolarHBondContact O-N 2.68Å
313	H	51	Low	53.4	Low	176 Å²	176	130.4 Å²	130.4	82%	0.815	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	51	27.2	-176.2	-74.3	-89	0	0	0	114.3	F310 S315	F310-H313 PolarHBondContact O-N 2.94Å; H313-S315 PolarHBondContact O-N 3.09Å
314	L	53.2	Low	52.7	Low	125 Å²	125	128.2 Å²	128.2	65%	0.654	67%	0.671	S	S	*	*			trans	-66.1	106.3	174.3	-78.5	160.9	0	0	0	108.8	Y312	Y312-L314 PolarHBondContact O-N 2.68Å
315	S	42.2	Very low	51.9	Low	90 Å²	90	132.8 Å²	132.8	63%	0.629	69%	0.689	S	S	*	*			trans	-55.7	138.3	178.9	-70.8	0	0	0	0	110.7	H313 R317	H313-S315 PolarHBondContact O-N 3.09Å; S315-R317 PolarHBondContact O-N 3.47Å
316	P	52.5	Low	51.3	Low	119 Å²	119	136.9 Å²	136.9	77%	0.773	71%	0.71	S	S	*	*	S	Bend	trans	-75.1	64.7	-177.9	31.4	-36.5	0	0	0	111.7
317	R	53	Low	50.9	Low	230 Å²	230	140.3 Å²	140.3	87%	0.868	73%	0.726	S	S	*	*			trans	-133.4	25.3	-176.1	-78.4	-169.9	172.1	175.7	-1.1	113.7	S315	S315-R317 PolarHBondContact O-N 3.47Å
318	T	51.3	Low	50.8	Low	135 Å²	135	142.9 Å²	142.9	83%	0.828	74%	0.742	S	S	*	*			trans	-135.1	31.8	172.9	-22.2	0	0	0	0	113.8
319	F	53.1	Low	50.6	Low	182 Å²	182	145.8 Å²	145.8	80%	0.798	76%	0.759	S	S	*	*	S	Bend	trans	-90.2	133.6	156.9	-71.5	-72.1	0	0	0	109.2	R321	F319-R321 PolarHBondContact O-N 2.73Å
320	P	49	Very low	50.1	Low	97 Å²	97	149.5 Å²	149.5	63%	0.63	78%	0.775	S	S	*	*			trans	-64	129.2	169.4	28.1	-33	0	0	0	108.9	Y322	P320-Y322 HydrophobicContact CG-CE2 4.39Å; P320-Y322 PolarHBondContact O-N 3.08Å; P320-Y322 VanDerWaalsContact O-N 3.14Å
321	R	43.6	Very low	49.8	Very low	248 Å²	248	150.6 Å²	150.6	94%	0.936	78%	0.783	S	S	*	*			trans	-74.5	105.6	176.5	-81.6	-167.1	171.6	140.2	-4.2	110.3	F319 P323	F319-R321 PolarHBondContact O-N 2.73Å; R321-P323 WeakPolarHBondContact O-CD 3.35Å
322	Y	50.3	Low	49	Very low	202 Å²	202	150.2 Å²	150.2	79%	0.792	79%	0.789	S	S	*	*			trans	-66.9	123.9	161.1	-70	-86.8	0	0	0	109.5	P320	P320-Y322 HydrophobicContact CG-CE2 4.39Å; P320-Y322 PolarHBondContact O-N 3.08Å; P320-Y322 VanDerWaalsContact O-N 3.14Å
323	P	51.4	Low	48.3	Very low	130 Å²	130	150.9 Å²	150.9	84%	0.844	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	121.1	170.3	30.7	-31.2	0	0	0	109.5	R321	R321-P323 WeakPolarHBondContact O-CD 3.35Å
324	G	56.5	Low	47.5	Very low	76 Å²	76	150.7 Å²	150.7	78%	0.784	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	150.6	-28.8	168.8	0	0	0	0	0	116.7
325	L	52.9	Low	46.4	Very low	165 Å²	165	153.3 Å²	153.3	86%	0.864	81%	0.808	S	S	*	*			trans	-99.9	99.4	-176.3	-73	170.4	0	0	0	112.2
326	M	50.7	Low	46.7	Very low	183 Å²	183	152.9 Å²	152.9	90%	0.901	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77.8	116.7	158.4	-72.2	-152.3	75.5	0	0	109.5
327	V	51.4	Low	46	Very low	123 Å²	123	155 Å²	155	75%	0.745	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-101.6	123.7	166.3	-179.8	0	0	0	0	107.5
328	P	51.4	Low	45	Very low	100 Å²	100	153 Å²	153	65%	0.649	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-62.3	146	177.9	-23.6	34.3	0	0	0	112.4	L330	P328-L330 PolarHBondContact O-N 3.29Å
329	P	50.3	Low	44.4	Very low	125 Å²	125	151.2 Å²	151.2	81%	0.812	80%	0.796	S	S	*	*			trans	-71.9	112.3	173.7	29.5	-32.8	0	0	0	110.2	Q331	P329-Q331 PolarHBondContact O-N 3.09Å
330	L	40.1	Very low	43.4	Very low	165 Å²	165	149 Å²	149	86%	0.864	80%	0.798	S	S	*	*			trans	-69.6	126.4	169	-66.6	178.3	0	0	0	109.7	P328 C332	P328-L330 PolarHBondContact O-N 3.29Å; L330-C332 PolarHBondContact O-N 3.34Å
331	Q	44.7	Very low	43.1	Very low	193 Å²	193	152.6 Å²	152.6	90%	0.902	81%	0.806	S	S	*	*			trans	-77.8	106.6	177.6	-65.2	173	-63.8	0	0	110.2	P329 Q333	P329-Q331 PolarHBondContact O-N 3.09Å; Q331-Q333 PolarHBondContact O-N 3.14Å
332	C	34.8	Very low	42.7	Very low	118 Å²	118	150.1 Å²	150.1	80%	0.797	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77	116.3	162	-67.9	0	0	0	0	109.1	L330	L330-C332 PolarHBondContact O-N 3.34Å
333	Q	30.7	Very low	42.4	Very low	186 Å²	186	145.7 Å²	145.7	87%	0.869	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63.3	144.8	165.1	-69.3	-175.5	-4	0	0	109.8	Q331	Q331-Q333 PolarHBondContact O-N 3.14Å
334	M	33.7	Very low	42.2	Very low	173 Å²	173	146.6 Å²	146.6	85%	0.852	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-103.2	128.4	165	-64.7	-87.8	71.3	0	0	108.3
335	H	31.6	Very low	41.6	Very low	179 Å²	179	152.8 Å²	152.8	83%	0.829	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.3	137.5	168.1	-166.4	-79.3	0	0	0	108.8
336	P	47	Very low	41.3	Very low	82 Å²	82	152.4 Å²	152.4	53%	0.532	80%	0.801	S	S	.	*	P	Polyproline II helix	trans	-88.5	173.2	-171.2	36.6	-38.7	0	0	0	114
337	E	38.8	Very low	41.5	Very low	163 Å²	163	152.3 Å²	152.3	76%	0.762	80%	0.798	S	S	*	*			trans	63.9	151.8	174.4	-52.2	-40.9	105.8	0	0	115.5
338	E	31.9	Very low	42	Very low	189 Å²	189	151.5 Å²	151.5	88%	0.883	80%	0.795	S	S	*	*			cis	-129.7	157	26.6	-166.9	177.6	148.8	0	0	113.5
339	S	39.4	Very low	41.8	Very low	96 Å²	96	152.1 Å²	152.1	67%	0.671	80%	0.799	S	S	*	*			trans	-101.2	140.3	-172.9	62.2	0	0	0	0	113.6
340	T	32.2	Very low	41.6	Very low	136 Å²	136	152.4 Å²	152.4	83%	0.834	80%	0.801	S	S	*	*			trans	-127.5	136.9	164.2	45.9	0	0	0	0	111
341	Q	41.6	Very low	41.9	Very low	173 Å²	173	151.1 Å²	151.1	81%	0.808	80%	0.8	S	S	*	*			trans	-111.4	102	-153.9	177.9	-173	-48.3	0	0	112.3
342	F	34.8	Very low	41.8	Very low	196 Å²	196	145.2 Å²	145.2	86%	0.86	79%	0.791	S	S	*	*			trans	-132.9	113	169.5	-67.8	-72.3	0	0	0	112.1	I344	F342-I344 PolarHBondContact O-N 3.49Å
343	S	45	Very low	42.2	Very low	109 Å²	109	150 Å²	150	76%	0.762	79%	0.792	S	S	*	*			trans	-101.7	78.7	-165.6	45.8	0	0	0	0	113.7	K345	S343-K345 PolarHBondContact O-N 3.47Å
344	I	45.9	Very low	42.9	Very low	149 Å²	149	148.9 Å²	148.9	76%	0.764	78%	0.784	S	S	*	*			trans	-84.6	96.3	168.6	-59.3	-177.8	0	0	0	109.6	F342 L346	F342-I344 PolarHBondContact O-N 3.49Å; I344-L346 HydrophobicContact CG2-CD2 4.35Å; I344-L346 HydrophobicContact CG2-CG 4.34Å; I344-L346 PolarHBondContact O-N 2.88Å
345	K	45.8	Very low	42.8	Very low	206 Å²	206	148.2 Å²	148.2	90%	0.896	78%	0.784	S	S	*	*			trans	-68.1	93	171.4	-84.1	179.7	172.5	173.4	0	110.7	S343 Q347	S343-K345 PolarHBondContact O-N 3.47Å; K345-Q347 PolarHBondContact O-N 2.97Å
346	L	46	Very low	43	Very low	157 Å²	157	150.1 Å²	150.1	82%	0.822	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75	118.7	165.4	-70.8	178.1	0	0	0	110.1	I344	I344-L346 HydrophobicContact CG2-CD2 4.35Å; I344-L346 HydrophobicContact CG2-CG 4.34Å; I344-L346 PolarHBondContact O-N 2.88Å
347	Q	55.5	Low	42.4	Very low	181 Å²	181	155.4 Å²	155.4	85%	0.846	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.4	126.8	177.4	178.6	179.5	-6.1	0	0	110.5	K345	K345-Q347 PolarHBondContact O-N 2.97Å
348	P	60.2	Low	42.2	Very low	105 Å²	105	157.4 Å²	157.4	68%	0.682	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70.7	141.6	175.9	28.9	-34	0	0	0	110.9
349	P	48.2	Very low	42.4	Very low	114 Å²	114	155.6 Å²	155.6	74%	0.74	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.5	144.5	173.8	28.6	-34.2	0	0	0	110.8	V351	P349-V351 PolarHBondContact O-N 3.28Å
350	P	46.7	Very low	42	Very low	131 Å²	131	158 Å²	158	85%	0.851	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.7	118.8	-174	27	-34.2	0	0	0	112.2
351	V	44.9	Very low	42	Very low	137 Å²	137	157 Å²	157	83%	0.83	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.6	134.4	169.4	176.3	0	0	0	0	109.7	P349	P349-V351 PolarHBondContact O-N 3.28Å
352	G	43.3	Very low	41.4	Very low	70 Å²	70	153.2 Å²	153.2	72%	0.722	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.1	151.9	-173.9	0	0	0	0	0	114.4
353	R	43.8	Very low	41.1	Very low	219 Å²	219	152.1 Å²	152.1	83%	0.826	79%	0.793	S	S	*	*			trans	-127.8	103.6	-178	-85.7	-175.5	165.2	-169.3	-2.9	113.1
354	K	43.6	Very low	40.4	Very low	161 Å²	161	156 Å²	156	70%	0.7	80%	0.799	S	S	*	*			trans	42.4	122.1	136.2	50.1	155.6	-176.8	171.3	0	120.2
355	N	32.7	Very low	39.8	Very low	159 Å²	159	154.7 Å²	154.7	85%	0.85	80%	0.804	S	S	*	*				-127.5	132.6	106.4	-76	-41.1	0	0	0	106.3
356	R	35.7	Very low	39.1	Very low	219 Å²	219	148.9 Å²	148.9	83%	0.826	79%	0.794	S	S	*	*			cis	77.2	91.4	37.5	-171.5	-174.5	165.1	106	-3.7	113
357	E	34.7	Very low	39.4	Very low	194 Å²	194	147 Å²	147	91%	0.907	79%	0.791	S	S	*	*				-157.9	179.8	107.2	54.6	-158.3	132.6	0	0	111.5
358	R	34.7	Very low	38.3	Very low	205 Å²	205	144 Å²	144	77%	0.774	79%	0.785	S	S	*	*			trans	-145.4	125.7	-169.1	171.9	-148.9	-84.6	-144.5	-3.3	109.5	E360	R358-E360 IonicContact NH1-OE2 3.82Å
359	V	35	Very low	37.1	Very low	151 Å²	151	145.5 Å²	145.5	92%	0.915	79%	0.792	S	S	*	*			trans	-139.2	160.3	149.8	-173.1	0	0	0	0	107.5
360	E	32.1	Very low	36.2	Very low	146 Å²	146	144.1 Å²	144.1	68%	0.682	79%	0.791	S	S	*	*			trans	-151.2	121.5	-154.5	168.2	177.4	-171.2	0	0	110.4	R358	R358-E360 IonicContact NH1-OE2 3.82Å
361	S	31	Very low	36.4	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	79%	0.787	S	S	*	*			trans	-175.5	137.6	157.2	48.2	0	0	0	0	115.4
362	S	29.8	Very low	35.8	Very low	93 Å²	93	142.2 Å²	142.2	65%	0.65	78%	0.779	S	S	*	*			trans	35.9	132.6	137.7	-73.8	0	0	0	0	126.5
363	E	29.3	Very low	35.2	Very low	172 Å²	172	147.1 Å²	147.1	80%	0.804	79%	0.786	S	S	*	*				70.5	103.8	124.8	-64.6	162.8	94.3	0	0	122.3
364	E	30.4	Very low	34.6	Very low	190 Å²	190	141 Å²	141	89%	0.888	78%	0.782	S	S	*	*				46	153.3	117.6	-158.7	154.1	144.1	0	0	123.5
365	S	31.3	Very low	33.7	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	78%	0.782	S	S	*	*			trans	93.5	165.2	170.3	81.3	0	0	0	0	117
366	A	33	Very low	33.7	Very low	85 Å²	85	138.1 Å²	138.1	70%	0.702	78%	0.78	S	S	*	*			trans	-148.4	-163.6	-159.7	0	0	0	0	0	109.7
367	P	51.1	Low	34.8	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	77%	0.774	S	S	*	*				-114.4	-146.5	-59.2	32.1	-17.6	0	0	0	110.8
368	V	33.1	Very low	35.6	Very low	119 Å²	119	129.2 Å²	129.2	72%	0.721	77%	0.768	S	S	*	*			trans	113.7	140.1	152.2	-174.3	0	0	0	0	118
369	T	33.7	Very low	35.4	Very low	135 Å²	135	129.9 Å²	129.9	83%	0.828	77%	0.77	S	S	*	*			trans	73.1	131.9	164.3	33.2	0	0	0	0	122.9
370	A	30.8	Very low	35.3	Very low	86 Å²	86	129.5 Å²	129.5	71%	0.711	76%	0.762	S	S	*	*			trans	-107.2	-159	151.8	0	0	0	0	0	107
371	P	50.8	Low	35	Very low	117 Å²	117	131.4 Å²	131.4	76%	0.76	77%	0.768	S	S	*	*			cis	-142	-156.1	3.5	32.5	-5.4	0	0	0	114.9
372	T	31.4	Very low	35.2	Very low	110 Å²	110	132 Å²	132	68%	0.675	77%	0.766	S	S	*	*			trans	117.2	95.4	139.6	-54	0	0	0	0	120.2
373	M	32.1	Very low	35.2	Very low	173 Å²	173	135.5 Å²	135.5	85%	0.852	77%	0.772	S	S	*	*			trans	64	140.7	132.1	-58.4	-175.2	77.8	0	0	125.5
374	A	30	Very low	36	Very low	92 Å²	92	132.4 Å²	132.4	76%	0.76	77%	0.767	S	S	*	*				73.4	155.9	129.7	0	0	0	0	0	122.2
375	S	25.8	Very low	36	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	76%	0.757	S	S	*	*			cis	-171	156.7	-26	-170.7	0	0	0	0	111.7
376	I	31.9	Very low	36.1	Very low	158 Å²	158	126.6 Å²	126.6	81%	0.81	75%	0.753	S	S	*	*			trans	73.5	146.3	155.6	-82.7	161.3	0	0	0	121.3
377	P	59.7	Low	35.9	Very low	107 Å²	107	131.5 Å²	131.5	70%	0.695	76%	0.761	S	S	*	*			trans	-113.8	-172.2	-179.8	44.9	-36.9	0	0	0	114.5
378	P	49.8	Very low	34.9	Very low	119 Å²	119	135.6 Å²	135.6	77%	0.773	77%	0.767	S	S	*	*			trans	-147.6	-170.5	133.9	45	-29.7	0	0	0	111.9
379	R	30.6	Very low	34.6	Very low	219 Å²	219	137 Å²	137	83%	0.826	77%	0.77	S	S	*	*			cis	-169.4	168.9	-7.4	-129.1	173.2	177.6	177.9	-0.7	110.8
380	I	32.9	Very low	35.3	Very low	144 Å²	144	135.5 Å²	135.5	74%	0.738	76%	0.763	S	S	*	*			trans	73.1	142.2	150.9	-69.2	160.4	0	0	0	117.1
381	K	26.8	Very low	35.2	Very low	185 Å²	185	140.2 Å²	140.2	80%	0.804	77%	0.77	S	S	*	*			cis	-147	124.1	12.8	-146.6	154.7	178	-175.1	0	109.5
382	V	35	Very low	34	Very low	128 Å²	128	139.8 Å²	139.8	78%	0.776	77%	0.77	S	S	*	*				71.1	104.8	86.8	-179.7	0	0	0	0	117.3
383	E	30.2	Very low	33.9	Very low	167 Å²	167	142 Å²	142	78%	0.78	78%	0.777	S	S	*	*				38.2	167.1	126.4	-83.7	-102.7	108.4	0	0	123.3
384	P	45.8	Very low	33.8	Very low	107 Å²	107	142.9 Å²	142.9	70%	0.695	77%	0.771	S	S	*	*			cis	-114.9	-158	-3.1	40.2	-24.3	0	0	0	112.3
385	A	30.3	Very low	33.8	Very low	81 Å²	81	146.2 Å²	146.2	67%	0.669	77%	0.77	S	S	*	*			cis	-162	-167.2	4.8	0	0	0	0	0	107.1
386	S	33.6	Very low	33.8	Very low	110 Å²	110	146.5 Å²	146.5	77%	0.769	77%	0.772	S	S	*	*			cis	177.8	165.3	-21.2	51.4	0	0	0	0	106
387	E	29.4	Very low	33.8	Very low	187 Å²	187	143 Å²	143	87%	0.874	77%	0.767	S	S	*	*			cis	-179.1	131.5	-20.4	170.4	-173.7	126.5	0	0	107.9
388	K	28.5	Very low	32.1	Very low	203 Å²	203	149.8 Å²	149.8	88%	0.883	78%	0.779	S	S	*	*			trans	-168.2	137.3	156.8	-146.3	166.2	-172.6	173.7	0	116
389	D	28.5	Very low	31.1	Very low	149 Å²	149	147.2 Å²	147.2	80%	0.797	77%	0.774	S	S	*	*			trans	-148.5	-172.8	160.8	-128.8	-23	0	0	0	105.7
390	P	47.4	Very low	31.2	Very low	103 Å²	103	144.8 Å²	144.8	67%	0.669	77%	0.769	S	S	*	*			cis	-141.8	-165.4	21.4	45.3	-25.2	0	0	0	116.5
391	E	27.9	Very low	30.9	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	76%	0.764	S	S	*	*			trans	104.5	147.1	144.6	-98.7	-179.3	-149.3	0	0	120.4
392	S	27.1	Very low	31.1	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	76%	0.758	S	S	*	*			trans	-157.2	139.4	-164.3	69.1	0	0	0	0	111.8
393	L	28.8	Very low	30.7	Very low	157 Å²	157	143.2 Å²	143.2	82%	0.822	75%	0.753	S	S	*	*			trans	-152.9	103	161.2	-149.5	70.8	0	0	0	114.1
394	R	29.4	Very low	30.7	Very low	191 Å²	191	139.6 Å²	139.6	72%	0.721	74%	0.742	S	S	*	*			trans	45	138.2	136.1	-62.9	-178.3	166.6	-146.4	-0.4	122.3
395	Q	31.6	Very low	29.8	Very low	161 Å²	161	141.5 Å²	141.5	75%	0.752	74%	0.742	S	S	*	*			trans	72.8	153.7	134.9	-75.5	169.5	-33.5	0	0	117.7
396	S	25.7	Very low	29.8	Very low	106 Å²	106	144.8 Å²	144.8	74%	0.741	74%	0.743	S	S	*	*			cis	-164.2	169.2	-20	-171.5	0	0	0	0	108.9
397	A	30.5	Very low	29.6	Very low	84 Å²	84	148.8 Å²	148.8	69%	0.694	75%	0.75	S	S	*	*			trans	68.1	136.8	172.3	0	0	0	0	0	115.1
398	R	25.4	Very low	29.5	Very low	251 Å²	251	143.2 Å²	143.2	95%	0.947	74%	0.742	S	S	*	*			cis	71.7	104.3	39.6	-167.5	-165.9	-156.8	-121.8	10	110.9
399	G	28.2	Very low	29.4	Very low	65 Å²	65	139.7 Å²	139.7	67%	0.67	74%	0.738	S	S	*	*			cis	148.9	-168.7	4.8	0	0	0	0	0	109.4
400	K	31.6	Very low	29.7	Very low	168 Å²	168	139.1 Å²	139.1	73%	0.73	74%	0.74	S	S	*	*			trans	69.7	122.8	178.3	-77.6	-175.2	158.9	-77.9	0	113.1
401	E	27.8	Very low	29.4	Very low	136 Å²	136	139.2 Å²	139.2	64%	0.636	74%	0.74	S	S	*	*				79.2	140.7	95.2	-74.4	162.8	-164.8	0	0	112.8
402	E	29.4	Very low	29.3	Very low	142 Å²	142	135.3 Å²	135.3	66%	0.664	73%	0.733	S	S	*	*			cis	-162.7	168	-5.5	-144.2	-176.2	122.7	0	0	109.6
403	H	28.7	Very low	29.2	Very low	146 Å²	146	141 Å²	141	68%	0.676	74%	0.739	S	S	*	*			trans	64.7	152.8	152	-100.5	58.1	0	0	0	117.1
404	T	28.1	Very low	29.1	Very low	90 Å²	90	139.4 Å²	139.4	55%	0.552	74%	0.735	S	S	*	*			cis	-153.8	157.1	-10.3	-13	0	0	0	0	112.1
405	Q	28.3	Very low	29	Very low	148 Å²	148	135.6 Å²	135.6	69%	0.692	73%	0.733	S	S	*	*			trans	55.5	147.7	141.5	-94.5	161.2	-84.8	0	0	124.1
406	E	30.9	Very low	28.8	Very low	149 Å²	149	135.5 Å²	135.5	70%	0.696	73%	0.732	S	S	*	*			trans	73.2	111	149	-76.1	161.1	-144.6	0	0	117.7
407	E	28.6	Very low	29	Very low	195 Å²	195	138.4 Å²	138.4	91%	0.911	73%	0.734	S	S	*	*				80.7	127.5	69.5	-79.5	-98.6	109.7	0	0	111.4
408	G	27.9	Very low	29.1	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	73%	0.73	S	S	*	*			trans	157.8	68.8	-178.5	0	0	0	0	0	116.2
409	T	25.6	Very low	29.5	Very low	129 Å²	129	136.5 Å²	136.5	79%	0.791	72%	0.719	S	S	*	*			trans	43.6	106.6	137.5	-51.8	0	0	0	0	119.5
410	V	35.2	Very low	29.6	Very low	138 Å²	138	136.7 Å²	136.7	84%	0.836	72%	0.722	S	S	*	*			trans	-72.3	140.5	157.7	178.1	0	0	0	0	110.2
411	P	40.9	Very low	29.8	Very low	105 Å²	105	134.6 Å²	134.6	68%	0.682	72%	0.723	S	S	*	*			trans	-141.5	127.9	132.1	30.3	-12.8	0	0	0	115.8
412	S	25.7	Very low	30.2	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	73%	0.727	S	S	*	*			trans	71.4	99.5	130.7	-59.8	0	0	0	0	123.4
413	R	25.5	Very low	30.4	Very low	229 Å²	229	138.2 Å²	138.2	86%	0.864	74%	0.74	S	S	*	*				90.3	149.4	107.7	-146.9	-172.2	-175.4	169.6	0.5	120.2
414	T	25.9	Very low	30.8	Very low	123 Å²	123	135 Å²	135	76%	0.755	74%	0.739	S	S	*	*			trans	74	144.1	166	59.5	0	0	0	0	118.5
415	V	27.4	Very low	31.3	Very low	111 Å²	111	142.1 Å²	142.1	67%	0.673	76%	0.756	S	S	*	*			cis	-168.9	178.2	-29	127.9	0	0	0	0	106.9
416	E	28.2	Very low	31.7	Very low	158 Å²	158	140.9 Å²	140.9	74%	0.738	76%	0.761	S	S	*	*			trans	74.4	145.8	179.4	-45.9	-47.6	163	0	0	117.4
417	E	29.2	Very low	32.3	Very low	167 Å²	167	138 Å²	138	78%	0.78	76%	0.762	S	S	*	*			cis	-161	-179.6	-33.7	-141.6	-150.9	154.8	0	0	111.8
418	E	31.4	Very low	33.1	Very low	131 Å²	131	134.2 Å²	134.2	61%	0.612	76%	0.755	S	S	*	*			trans	77.6	147.6	155.4	-101.8	-132.9	123.5	0	0	124.1
419	K	35.5	Very low	33.8	Very low	164 Å²	164	136 Å²	136	71%	0.713	75%	0.754	S	S	*	*			trans	46.8	116.9	167.2	-65.8	172.8	171	67.9	0	117.1
420	G	29.4	Very low	34.3	Very low	70 Å²	70	138 Å²	138	72%	0.722	76%	0.757	S	S	*	*			cis	95.4	123.8	36.2	0	0	0	0	0	109.6
421	T	36.5	Very low	34.4	Very low	124 Å²	124	141.7 Å²	141.7	76%	0.761	76%	0.757	S	S	*	*				178.2	133.8	87.5	-70.1	0	0	0	0	111.4
422	I	35.5	Very low	34.2	Very low	141 Å²	141	142.3 Å²	142.3	72%	0.723	76%	0.761	S	S	*	*			trans	42.9	124.2	154.4	-57.9	164.1	0	0	0	120.2
423	F	32.8	Very low	34.6	Very low	212 Å²	212	143.3 Å²	143.3	93%	0.93	77%	0.767	S	S	*	*				-138.7	119.1	126.7	-136.2	-86.8	0	0	0	110.9
424	A	38.5	Very low	35	Very low	79 Å²	79	138.8 Å²	138.8	65%	0.653	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-90.2	147.2	-173.6	0	0	0	0	0	112.3
425	R	37.6	Very low	35.6	Very low	239 Å²	239	138.5 Å²	138.5	90%	0.902	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-101.8	117.7	175.2	-176.4	178.8	-177.9	173.7	0.8	109.6
426	P	37.3	Very low	35.7	Very low	123 Å²	123	140.6 Å²	140.6	80%	0.799	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-71	143.1	-179.3	28.3	-34	0	0	0	111.9
427	A	42.9	Very low	35.8	Very low	89 Å²	89	138.5 Å²	138.5	74%	0.736	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-95.1	152.1	172.3	0	0	0	0	0	111
428	P	46	Very low	36.1	Very low	115 Å²	115	136.6 Å²	136.6	75%	0.747	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.2	151.5	178.3	31.6	-35.3	0	0	0	112.4
429	P	42.1	Very low	36.4	Very low	107 Å²	107	136 Å²	136	70%	0.695	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.9	146.6	-178	30.9	-35.6	0	0	0	113.3
430	I	37.1	Very low	36	Very low	169 Å²	169	133.3 Å²	133.3	87%	0.867	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-90.5	139.5	175.9	-60.9	167.9	0	0	0	109.4
431	W	36.5	Very low	36	Very low	217 Å²	217	138.9 Å²	138.9	82%	0.822	79%	0.79	S	S	*	*			trans	-124.7	148	175.2	-74.6	58.8	0	0	0	109.8
432	P	37.8	Very low	35.7	Very low	118 Å²	118	141.8 Å²	141.8	77%	0.766	80%	0.795	S	S	*	*			trans	-82.2	154.7	-163.7	32.1	-36.9	0	0	0	114.9
433	S	34.3	Very low	36.4	Very low	123 Å²	123	139.6 Å²	139.6	86%	0.86	79%	0.79	S	S	*	*			trans	-92.3	149.1	170.9	-56	0	0	0	0	111.8
434	V	32.4	Very low	36.3	Very low	134 Å²	134	136.6 Å²	136.6	81%	0.812	78%	0.783	S	S	*	*			trans	-130.9	140.1	178.1	179.3	0	0	0	0	107.8
435	P	38.3	Very low	35.9	Very low	117 Å²	117	140.5 Å²	140.5	76%	0.76	79%	0.788	S	S	*	*			trans	-92.6	170.6	-154.2	35.9	-38.2	0	0	0	116.6
436	I	31	Very low	35.5	Very low	156 Å²	156	134.5 Å²	134.5	80%	0.8	78%	0.778	S	S	*	*			trans	-68.1	146.4	163.6	-75.5	169.1	0	0	0	110.4
437	S	30.2	Very low	35.2	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	77%	0.77	S	S	*	*			trans	-134.7	139	163.9	-65.8	0	0	0	0	111.3
438	T	35	Very low	34.8	Very low	127 Å²	127	137 Å²	137	78%	0.779	77%	0.771	S	S	*	*			trans	-130.5	139.2	172.4	48.8	0	0	0	0	110
439	P	37.2	Very low	34.1	Very low	120 Å²	120	139.3 Å²	139.3	78%	0.779	78%	0.777	S	S	*	*			trans	-122.8	148.6	138.2	35.8	-27.4	0	0	0	109.9
440	S	27.2	Very low	33.5	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	78%	0.784	S	S	*	*			cis	87.8	135	22.2	-154.8	0	0	0	0	115.8
441	E	29.1	Very low	33.4	Very low	188 Å²	188	139.6 Å²	139.6	88%	0.879	79%	0.787	S	S	*	*			trans	105.6	145.1	162.6	-49.5	-142.8	126.4	0	0	119.8
442	E	29.8	Very low	33.1	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	78%	0.778	S	S	*	*			trans	-110.6	-150.8	-163.9	-46.1	-176.7	134.1	0	0	111.2
443	P	51.8	Low	33	Very low	95 Å²	95	139.2 Å²	139.2	62%	0.617	78%	0.779	S	S	*	*			cis	-132	-153.2	-27.9	27.4	-3.4	0	0	0	112.5
444	L	30.3	Very low	33.1	Very low	149 Å²	149	139.5 Å²	139.5	78%	0.78	78%	0.778	S	S	*	*			trans	86	150.8	161	-50.7	178.6	0	0	0	118.5
445	E	30.8	Very low	33	Very low	161 Å²	161	136.8 Å²	136.8	75%	0.752	78%	0.777	S	S	*	*			cis	-169.1	143.2	-45.3	-122.4	-153.8	151.9	0	0	109.8
446	V	28.6	Very low	32.7	Very low	114 Å²	114	140.9 Å²	140.9	69%	0.691	78%	0.783	S	S	*	*			trans	65.8	151	152.9	-179.7	0	0	0	0	116.2
447	T	30.5	Very low	32.9	Very low	104 Å²	104	142.1 Å²	142.1	64%	0.638	79%	0.785	S	S	*	*			cis	-144.4	161.1	14.3	-11.2	0	0	0	0	113.4
448	E	35.4	Very low	33.3	Very low	161 Å²	161	142.9 Å²	142.9	75%	0.752	79%	0.788	S	S	*	*			trans	51.7	128	140.6	-77.6	157.6	-172.7	0	0	126.4
449	D	29.8	Very low	33.3	Very low	162 Å²	162	141.3 Å²	141.3	87%	0.866	78%	0.782	S	S	*	*			trans	68	134	133.5	-61	-8.7	0	0	0	126.1
450	G	30.9	Very low	33.5	Very low	82 Å²	82	138.6 Å²	138.6	85%	0.845	77%	0.77	S	S	*	*			trans	150	125.5	164.1	0	0	0	0	0	115.7
451	E	34.6	Very low	34.3	Very low	201 Å²	201	138.9 Å²	138.9	94%	0.939	77%	0.769	S	S	*	*			trans	-85	142.9	179.9	-66.5	174.6	78.9	0	0	114.7
452	D	30.4	Very low	35.3	Very low	117 Å²	117	136.6 Å²	136.6	63%	0.626	76%	0.758	S	S	*	*				165.8	141.9	107.3	-168	19.6	0	0	0	113.5
453	R	35.1	Very low	36.4	Very low	209 Å²	209	135.8 Å²	135.8	79%	0.789	75%	0.752	S	S	*	*			trans	62.5	153.3	164.1	-85	156.3	-134.5	-107.7	-5.8	121.9
454	P	36.3	Very low	36.3	Very low	129 Å²	129	139.4 Å²	139.4	84%	0.838	76%	0.758	S	S	*	*			trans	-89.3	120.7	-165.6	33.6	-35.5	0	0	0	115.8
455	G	30	Very low	37.7	Very low	78 Å²	78	136.4 Å²	136.4	80%	0.804	74%	0.74	S	S	*	*			trans	-98.3	89.5	176.6	0	0	0	0	0	115.3
456	K	33.7	Very low	39.2	Very low	202 Å²	202	130 Å²	130	88%	0.878	71%	0.711	S	S	*	*			trans	4.9	117.3	153.7	-172.4	174.3	-173.7	169.8	0	118.6
457	E	34	Very low	41	Very low	182 Å²	182	128.2 Å²	128.2	85%	0.85	71%	0.708	S	S	*	*			trans	-54.9	144.6	175.2	-72.2	-168	127.4	0	0	115.3	S459	E457-S459 PolarHBondContact O-N 3.31Å
458	P	38.7	Very low	43	Very low	130 Å²	130	130.6 Å²	130.6	84%	0.844	72%	0.716	S	S	*	*			trans	-86	91.1	177.4	34.2	-34.4	0	0	0	113.1	A460	P458-A460 PolarHBondContact O-N 2.98Å; P458-A460 VanDerWaalsContact O-N 3.1Å
459	S	35.5	Very low	45	Very low	94 Å²	94	125.2 Å²	125.2	66%	0.657	69%	0.692	S	S	*	*			trans	-69.8	106.7	175.1	75.2	0	0	0	0	112.9	E457	E457-S459 PolarHBondContact O-N 3.31Å
460	A	41.3	Very low	47.4	Very low	63 Å²	63	121.1 Å²	121.1	52%	0.521	67%	0.674	S	S	.	*			trans	28.2	136.6	156.1	0	0	0	0	0	121.2	P458 E462	P458-A460 PolarHBondContact O-N 2.98Å; P458-A460 VanDerWaalsContact O-N 3.1Å; A460-E462 PolarHBondContact O-N 3.37Å
461	P	43.6	Very low	49.3	Very low	111 Å²	111	122.4 Å²	122.4	72%	0.721	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-15.9	-170.3	29.3	-36.8	0	0	0	116.6	K463 K464	P461-K463 PolarHBondContact O-N 3.32Å; P461-K464 PolarHBondContact O-N 2.72Å
462	E	50.7	Low	50.8	Low	140 Å²	140	121.6 Å²	121.6	65%	0.654	66%	0.661	S	S	*	*	H	α-helix	trans	-51.5	-31.8	-169.8	-60.5	-175.7	120.3	0	0	114.8	A460 K464 E465 D466	A460-E462 PolarHBondContact O-N 3.37Å; E462-K464 PolarHBondContact O-N 3.18Å; E462-E465 WeakPolarHBondContact O-CG 3.31Å; E462-E465 PolarHBondContact O-N 2.87Å; E462-D466 PolarHBondContact O-N 3.28Å
463	K	51.7	Low	52.6	Low	167 Å²	167	120.6 Å²	120.6	73%	0.726	66%	0.655	S	S	*	*	H	α-helix	trans	-67.9	-19	-177.8	-70	176.7	-177.1	166.3	0	113.7	P461	P461-K463 PolarHBondContact O-N 3.32Å
464	K	51.4	Low	54.7	Low	171 Å²	171	114.9 Å²	114.9	74%	0.743	63%	0.633	S	S	*	*	H	α-helix	trans	-86.7	-38.1	177.1	-70.8	-175.7	178.4	177.7	0	112.6	P461 E462 A467 L468	P461-K464 PolarHBondContact O-N 2.72Å; E462-K464 PolarHBondContact O-N 3.18Å; K464-A467 PolarHBondContact O-N 3.49Å; K464-L468 WeakPolarHBondContact O-CG 3.28Å; K464-L468 PolarHBondContact O-N 3.46Å
465	E	58.1	Low	56.3	Low	87 Å²	87	114.3 Å²	114.3	41%	0.407	62%	0.623	S	S	.	*	H	α-helix	trans	-67	-44.8	177.5	56	157.8	107	0	0	112.6	E462 A467 L468 M469 R477	E462-E465 WeakPolarHBondContact O-CG 3.31Å; E462-E465 PolarHBondContact O-N 2.87Å; E465-A467 PolarHBondContact O-N 2.97Å; E465-A467 VanDerWaalsContact O-N 3.11Å; E465-L468 PolarHBondContact O-N 3.44Å; E465-M469 WeakPolarHBondContact O-CG 3.41Å; E465-M469 PolarHBondContact O-N 3.27Å; E465-M469 VanDerWaalsContact O-N 3.07Å; E465-R477 IonicContact OE2-CZ 3.85Å; E465-R477 IonicContact OE2-NH1 3.99Å; E465-R477 PolarHBondContact OE2-NH1 2.79Å; E465-R477 IonicContact OE2-NH2 2.68Å; E465-R477 PolarHBondContact OE2-NH2 3.18Å
466	D	63.1	Low	58.5	Low	25 Å²	25	116.1 Å²	116.1	13%	0.134	61%	0.608	C	S	.	*	H	α-helix	trans	-67.4	-16.7	-176.5	-167.2	37.4	0	0	0	111.4	E462 R474 R478	E462-D466 PolarHBondContact O-N 3.28Å; D466-R474 VanDerWaalsContact C-NH1 3.3Å; D466-R474 PolarHBondContact O-NH1 3.03Å; D466-R474 IonicContact OD1-NH1 3.43Å; D466-R474 PolarHBondContact OD1-NH1 3.35Å; D466-R474 IonicContact OD2-CZ 3.55Å; D466-R474 VanDerWaalsContact OD2-CZ 3.25Å; D466-R474 IonicContact OD2-NH1 3.45Å; D466-R474 PolarHBondContact OD2-NH1 3.03Å; D466-R474 IonicContact OD2-NH2 2.63Å; D466-R478 IonicContact OD2-CZ 3.08Å; D466-R478 IonicContact OD2-NE 3.25Å; D466-R478 IonicContact OD2-NH2 3.98Å; D466-R478 PolarHBondContact OD2-NH2 2.89Å; D466-R478 VanDerWaalsContact OD2-NH2 3.08Å
467	A	65.9	Low	60.5	Low	77 Å²	77	111.3 Å²	111.3	64%	0.636	59%	0.585	S	S	*	*	H	α-helix	trans	-88.8	-24.7	172.9	0	0	0	0	0	113.8	K464 E465	K464-A467 PolarHBondContact O-N 3.49Å; E465-A467 PolarHBondContact O-N 2.97Å; E465-A467 VanDerWaalsContact O-N 3.11Å
468	L	72.1	Confident	62.2	Low	154 Å²	154	109.4 Å²	109.4	81%	0.806	57%	0.57	S	S	*	*	H	α-helix	trans	-86.4	-17	175	-68.5	169.2	0	0	0	112.5	K464 E465	K464-L468 WeakPolarHBondContact O-CG 3.28Å; K464-L468 PolarHBondContact O-N 3.46Å; E465-L468 PolarHBondContact O-N 3.44Å
469	M	77.6	Confident	63.2	Low	48 Å²	48	113.4 Å²	113.4	24%	0.236	57%	0.568	C	S	.	*	S	Bend	trans	-72.5	136.8	178.7	-77.8	-178.3	64.9	0	0	113.3	E465 L473 R477	E465-M469 WeakPolarHBondContact O-CG 3.41Å; E465-M469 PolarHBondContact O-N 3.27Å; E465-M469 VanDerWaalsContact O-N 3.07Å; M469-L473 HydrophobicContact CE-CB 3.67Å; M469-R477 PolarHBondContact SD-NH2 3.41Å
470	P	80.7	Confident	64.7	Low	76 Å²	76	114 Å²	114	49%	0.494	56%	0.564	S	S	.	*			trans	-53.3	140.1	173.9	-28.8	35	0	0	0	113	K472 L473 R474	P470-K472 PolarHBondContact O-N 3.19Å; P470-L473 HydrophobicContact CG-CD1 4.28Å; P470-L473 PolarHBondContact O-N 3.49Å; P470-R474 PolarHBondContact O-N 3.18Å; P470-R474 VanDerWaalsContact O-N 3.09Å
471	P	70.9	Confident	65.6	Low	110 Å²	110	115.7 Å²	115.7	71%	0.714	56%	0.564	S	S	*	*	H	α-helix	trans	-54.2	-34.6	-172.5	-30.4	35.4	0	0	0	115.1	L473 L475	P471-L473 PolarHBondContact O-N 3.06Å; P471-L475 WeakPolarHBondContact O-CB 3.27Å; P471-L475 PolarHBondContact O-N 3.07Å
472	K	65.3	Low	65.5	Low	184 Å²	184	116.1 Å²	116.1	80%	0.8	56%	0.56	S	S	*	*	H	α-helix	trans	-67	-32.3	176.3	-73.2	-176.5	174.9	178	0	113.2	P470 K476	P470-K472 PolarHBondContact O-N 3.19Å; K472-K476 VanDerWaalsContact O-CB 3.24Å; K472-K476 WeakPolarHBondContact O-CB 3.14Å; K472-K476 PolarHBondContact O-N 3.02Å
473	L	68.4	Low	65.4	Low	95 Å²	95	114.1 Å²	114.1	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-80.1	-39.9	176.2	-70.6	172.4	0	0	0	111.4	M469 P470 P471 L475 K476 R477	M469-L473 HydrophobicContact CE-CB 3.67Å; P470-L473 HydrophobicContact CG-CD1 4.28Å; P470-L473 PolarHBondContact O-N 3.49Å; P471-L473 PolarHBondContact O-N 3.06Å; L473-L475 VanDerWaalsContact C-N 3.3Å; L473-L475 PolarHBondContact O-N 2.99Å; L473-K476 PolarHBondContact O-N 3.33Å; L473-K476 VanDerWaalsContact O-N 3.12Å; L473-R477 PolarHBondContact O-N 3.17Å
474	R	80.4	Confident	65.1	Low	89 Å²	89	113.7 Å²	113.7	34%	0.336	56%	0.56	S	S	.	*	H	α-helix	trans	-56.3	-43.4	170.4	178.4	176.8	175	94.7	8.9	111.9	D466 P470 R478	D466-R474 VanDerWaalsContact C-NH1 3.3Å; D466-R474 PolarHBondContact O-NH1 3.03Å; D466-R474 IonicContact OD1-NH1 3.43Å; D466-R474 PolarHBondContact OD1-NH1 3.35Å; D466-R474 IonicContact OD2-CZ 3.55Å; D466-R474 VanDerWaalsContact OD2-CZ 3.25Å; D466-R474 IonicContact OD2-NH1 3.45Å; D466-R474 PolarHBondContact OD2-NH1 3.03Å; D466-R474 IonicContact OD2-NH2 2.63Å; P470-R474 PolarHBondContact O-N 3.18Å; P470-R474 VanDerWaalsContact O-N 3.09Å; R474-R478 WeakPolarHBondContact O-CB 3.49Å; R474-R478 WeakPolarHBondContact O-CG 3.44Å; R474-R478 PolarHBondContact O-N 3.42Å
475	L	69.9	Low	64.7	Low	118 Å²	118	109 Å²	109	62%	0.618	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-38.3	173.9	-172	66.5	0	0	0	112.3	P471 L473 R478 W479	P471-L475 WeakPolarHBondContact O-CB 3.27Å; P471-L475 PolarHBondContact O-N 3.07Å; L473-L475 VanDerWaalsContact C-N 3.3Å; L473-L475 PolarHBondContact O-N 2.99Å; L475-R478 PolarHBondContact O-N 2.94Å; L475-W479 WeakPolarHBondContact O-CB 3.47Å; L475-W479 PolarHBondContact O-N 3.26Å
476	K	75.9	Confident	63.9	Low	116 Å²	116	113.8 Å²	113.8	50%	0.504	57%	0.568	S	S	.	*	H	α-helix	trans	-66.7	-37.6	178.6	-172.4	62	174.5	165.7	0	112.8	K472 L473 N480	K472-K476 VanDerWaalsContact O-CB 3.24Å; K472-K476 WeakPolarHBondContact O-CB 3.14Å; K472-K476 PolarHBondContact O-N 3.02Å; L473-K476 PolarHBondContact O-N 3.33Å; L473-K476 VanDerWaalsContact O-N 3.12Å; K476-N480 VanDerWaalsContact O-CG 3.25Å; K476-N480 PolarHBondContact O-N 3.3Å; K476-N480 PolarHBondContact O-OD1 3.2Å
477	R	75.3	Confident	62.8	Low	101 Å²	101	119 Å²	119	38%	0.381	59%	0.592	S	S	.	*	H	α-helix	trans	-60.6	-58.4	171.9	-168.5	-176.2	-88.7	-175.1	-10	109.1	E465 M469 L473 W479 N480 D481	E465-R477 IonicContact OE2-CZ 3.85Å; E465-R477 IonicContact OE2-NH1 3.99Å; E465-R477 PolarHBondContact OE2-NH1 2.79Å; E465-R477 IonicContact OE2-NH2 2.68Å; E465-R477 PolarHBondContact OE2-NH2 3.18Å; M469-R477 PolarHBondContact SD-NH2 3.41Å; L473-R477 PolarHBondContact O-N 3.17Å; R477-W479 PolarHBondContact O-N 3.09Å; R477-N480 PolarHBondContact O-N 2.86Å; R477-D481 PolarHBondContact O-N 2.63Å; R477-D481 VanDerWaalsContact O-N 3.12Å; R477-D481 VanDerWaalsContact O-OD2 3.09Å
478	R	69.4	Low	61.6	Low	142 Å²	142	122.5 Å²	122.5	54%	0.536	60%	0.599	S	S	.	*	H	α-helix	trans	-59.7	-17.3	178.4	-70.5	172.1	178.9	-93.9	-12	116.5	D466 R474 L475 D481	D466-R478 IonicContact OD2-CZ 3.08Å; D466-R478 IonicContact OD2-NE 3.25Å; D466-R478 IonicContact OD2-NH2 3.98Å; D466-R478 PolarHBondContact OD2-NH2 2.89Å; D466-R478 VanDerWaalsContact OD2-NH2 3.08Å; R474-R478 WeakPolarHBondContact O-CB 3.49Å; R474-R478 WeakPolarHBondContact O-CG 3.44Å; R474-R478 PolarHBondContact O-N 3.42Å; L475-R478 PolarHBondContact O-N 2.94Å; R478-D481 WeakPolarHBondContact CA-OD2 3.46Å
479	W	60.5	Low	60.1	Low	213 Å²	213	119.6 Å²	119.6	81%	0.807	59%	0.591	S	S	*	*	H	α-helix	trans	-94.1	-18.7	174.7	-170.9	-80.4	0	0	0	112.8	L475 R477	L475-W479 WeakPolarHBondContact O-CB 3.47Å; L475-W479 PolarHBondContact O-N 3.26Å; R477-W479 PolarHBondContact O-N 3.09Å
480	N	67.4	Low	58.6	Low	106 Å²	106	125.4 Å²	125.4	57%	0.567	62%	0.615	S	S	*	*	H	α-helix	trans	-93.8	-14.6	175.3	-70.9	-0.6	0	0	0	112.4	K476 R477 D482	K476-N480 VanDerWaalsContact O-CG 3.25Å; K476-N480 PolarHBondContact O-N 3.3Å; K476-N480 PolarHBondContact O-OD1 3.2Å; R477-N480 PolarHBondContact O-N 2.86Å; N480-D482 PolarHBondContact O-N 2.88Å; N480-D482 VanDerWaalsContact O-N 3.13Å
481	D	60.3	Low	56.7	Low	100 Å²	100	126.4 Å²	126.4	54%	0.535	62%	0.624	S	S	.	*			trans	-74.6	90.4	176	-65.9	-47.8	0	0	0	111.1	R477 R478	R477-D481 PolarHBondContact O-N 2.63Å; R477-D481 VanDerWaalsContact O-N 3.12Å; R477-D481 VanDerWaalsContact O-OD2 3.09Å; R478-D481 WeakPolarHBondContact CA-OD2 3.46Å
482	D	40.7	Very low	55.2	Low	119 Å²	119	124.4 Å²	124.4	64%	0.636	62%	0.623	S	S	*	*			trans	-67.8	128.7	178	-124	-44.4	0	0	0	111.4	N480 E484 A485	N480-D482 PolarHBondContact O-N 2.88Å; N480-D482 VanDerWaalsContact O-N 3.13Å; D482-E484 VanDerWaalsContact C-N 3.31Å; D482-E484 PolarHBondContact O-N 3.14Å; D482-A485 PolarHBondContact O-N 3.38Å
483	P	48.8	Very low	54.2	Low	98 Å²	98	124.6 Å²	124.6	64%	0.636	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-26.7	-173.6	23.5	-34	0	0	0	114.6	A485 R486	P483-A485 PolarHBondContact O-N 3.25Å; P483-R486 PolarHBondContact O-N 2.73Å; P483-R486 VanDerWaalsContact O-N 3.14Å
484	E	44.1	Very low	52.3	Low	158 Å²	158	129.8 Å²	129.8	74%	0.738	64%	0.643	S	S	*	*	H	α-helix	trans	-57.6	-31.3	177.3	-87.4	-172.3	135.4	0	0	113	D482 R486	D482-E484 VanDerWaalsContact C-N 3.31Å; D482-E484 PolarHBondContact O-N 3.14Å; E484-R486 PolarHBondContact O-N 3.44Å
485	A	43.3	Very low	50.1	Low	74 Å²	74	131.8 Å²	131.8	61%	0.612	66%	0.66	S	S	*	*	H	α-helix	trans	-67.9	-15.8	-178.9	0	0	0	0	0	113.8	D482 P483	D482-A485 PolarHBondContact O-N 3.38Å; P483-A485 PolarHBondContact O-N 3.25Å
486	R	42.5	Very low	48.2	Very low	187 Å²	187	138.2 Å²	138.2	71%	0.706	68%	0.676	S	S	*	*	H	α-helix	trans	-93	-26.6	-178.5	-82	-175.7	164.5	178.3	-2.8	114.9	P483 E484 S489	P483-R486 PolarHBondContact O-N 2.73Å; P483-R486 VanDerWaalsContact O-N 3.14Å; E484-R486 PolarHBondContact O-N 3.44Å; R486-S489 PolarHBondContact O-OG 3.27Å; R486-S489 VanDerWaalsContact O-OG 3.09Å
487	E	39.8	Very low	46.2	Very low	135 Å²	135	140 Å²	140	63%	0.631	69%	0.691	S	S	*	*	H	α-helix	trans	-77.5	-38.9	-179.1	-67.5	-56.9	113.6	0	0	111.9	S489 K490 S491	E487-S489 PolarHBondContact O-N 3Å; E487-S489 VanDerWaalsContact O-N 3.13Å; E487-K490 PolarHBondContact O-N 3.48Å; E487-K490 VanDerWaalsContact O-N 3.13Å; E487-S491 PolarHBondContact O-OG 3.23Å
488	L	41	Very low	44	Very low	149 Å²	149	138.6 Å²	138.6	78%	0.78	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-16	177.8	-86.5	162.9	0	0	0	114.7
489	S	40.8	Very low	42.3	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-4.6	176.8	54.3	0	0	0	0	114.3	R486 E487	R486-S489 PolarHBondContact O-OG 3.27Å; R486-S489 VanDerWaalsContact O-OG 3.09Å; E487-S489 PolarHBondContact O-N 3Å; E487-S489 VanDerWaalsContact O-N 3.13Å
490	K	45.4	Very low	40.8	Very low	171 Å²	171	131 Å²	131	74%	0.743	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	-20.4	-176.2	-75.8	-174.2	172.6	-175.8	0	115.4	E487	E487-K490 PolarHBondContact O-N 3.48Å; E487-K490 VanDerWaalsContact O-N 3.13Å
491	S	41.5	Very low	39.5	Very low	96 Å²	96	132.1 Å²	132.1	67%	0.671	73%	0.733	S	S	*	*	S	Bend	trans	-83	-7.2	179.5	49.8	0	0	0	0	114.6	E487 K493	E487-S491 PolarHBondContact O-OG 3.23Å; S491-K493 PolarHBondContact O-N 3.45Å
492	G	38.4	Very low	38.3	Very low	68 Å²	68	136.5 Å²	136.5	70%	0.701	75%	0.75	S	S	*	*			trans	-84.5	25.4	-169.6	0	0	0	0	0	117.9
493	K	44.5	Very low	37.9	Very low	188 Å²	188	135 Å²	135	82%	0.817	76%	0.762	S	S	*	*			trans	-148.7	87.5	177.8	-70.9	-168.5	179.2	-176.5	0	114	S491	S491-K493 PolarHBondContact O-N 3.45Å
494	F	28.4	Very low	37.3	Very low	205 Å²	205	138.2 Å²	138.2	90%	0.899	77%	0.773	S	S	*	*			trans	-150.8	153.4	145.2	-102.1	-73	0	0	0	110.2
495	L	35.3	Very low	37	Very low	130 Å²	130	135.1 Å²	135.1	68%	0.681	78%	0.775	S	S	*	*			trans	-55.8	152.6	-159.2	-69.4	71.9	0	0	0	115.8
496	W	28.8	Very low	36.6	Very low	254 Å²	254	138.4 Å²	138.4	96%	0.962	79%	0.787	S	S	*	*				-144.5	119.5	121.4	-120.5	46.7	0	0	0	110
497	N	34.1	Very low	36.4	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	79%	0.794	S	S	*	*			trans	-89.8	133.7	166.5	-88.1	-5.8	0	0	0	108.2
498	G	29.1	Very low	36.3	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	80%	0.803	S	S	*	*			trans	-154.9	100.3	176.3	0	0	0	0	0	111.1	G500	G498-G500 PolarHBondContact O-N 3.3Å
499	S	33	Very low	36.3	Very low	127 Å²	127	129.8 Å²	129.8	89%	0.888	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-70.1	121.7	-178.1	-53.7	0	0	0	0	111.5
500	G	29.1	Very low	36.3	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-77	134.6	168.2	0	0	0	0	0	111.3	G498	G498-G500 PolarHBondContact O-N 3.3Å
501	P	40.9	Very low	36.2	Very low	131 Å²	131	133.5 Å²	133.5	85%	0.851	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-71.4	151	173	30.6	-34.2	0	0	0	111.2
502	Q	34.7	Very low	35.9	Very low	192 Å²	192	135.4 Å²	135.4	90%	0.897	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-71.5	141.7	179	-64.3	176.9	-0.1	0	0	111.2	L504	Q502-L504 PolarHBondContact O-N 3.45Å
503	G	32.8	Very low	35.8	Very low	86 Å²	86	138.9 Å²	138.9	89%	0.887	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-70.5	126.8	169.7	0	0	0	0	0	110.6
504	L	36.4	Very low	35.3	Very low	166 Å²	166	136.2 Å²	136.2	87%	0.869	86%	0.864	S	S	*	*			trans	-114.3	124.1	178.6	-136.8	168.8	0	0	0	108.4	Q502	Q502-L504 PolarHBondContact O-N 3.45Å
505	A	36.8	Very low	35.7	Very low	93 Å²	93	132.1 Å²	132.1	77%	0.769	86%	0.862	S	S	*	*			trans	-90	134.1	-175.1	0	0	0	0	0	112.1
506	T	36.4	Very low	35.7	Very low	144 Å²	144	132.3 Å²	132.3	88%	0.883	87%	0.874	S	S	*	*			trans	-141.6	145	160.4	35.8	0	0	0	0	109.4
507	A	38.2	Very low	36.2	Very low	101 Å²	101	124.1 Å²	124.1	84%	0.835	87%	0.868	S	S	*	*			trans	-125.4	148.4	173.1	0	0	0	0	0	108.9
508	A	36.7	Very low	36.3	Very low	99 Å²	99	122.1 Å²	122.1	82%	0.818	87%	0.871	S	S	*	*			trans	176.2	154.5	148.5	0	0	0	0	0	113
509	A	41.1	Very low	36.9	Very low	90 Å²	90	125.9 Å²	125.9	74%	0.744	88%	0.881	S	S	*	*			trans	59.7	89.9	146	0	0	0	0	0	120.1
510	D	39.8	Very low	37.2	Very low	169 Å²	169	125.8 Å²	125.8	90%	0.904	88%	0.881	S	S	*	*				11.2	115.5	99.9	-135.5	-82.1	0	0	0	117.5
511	A	44	Very low	38	Very low	172 Å²	172	131.2 Å²	131.2	100%	1.421	90%	0.898	S	S	*	*			trans	-173.9	0	152.1	0	0	0	0	0	111.1

Retrieved 511 of 511 residues in 1525.4 ms (Link to these results)

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