X6R732_HUMAN Loading...

SET domain bifurcated histone lysine methyltransferase 1

AlphaFold DB , UniProt , Accession X6R732, Species HUMAN (Homo sapiens, Human), Gene SETDB1, Length 249 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	48.4	Very low	242 Å²	242	135.5 Å²	135.5	100%	1.192	83%	0.833	S	S	*	*				0	111.5	0	-54.5	175	79.1	0	0	105.2
2	S	43.5	Very low	48.7	Very low	112 Å²	112	130.4 Å²	130.4	78%	0.783	82%	0.815	S	S	*	*			cis	-157.4	121.7	14.2	-5.2	0	0	0	0	105.3
3	S	44.3	Very low	48.9	Very low	123 Å²	123	124.6 Å²	124.6	86%	0.86	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-79.6	118.8	169.9	-155.6	0	0	0	0	106.9
4	L	47.1	Very low	49.5	Very low	164 Å²	164	120.8 Å²	120.8	86%	0.859	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-89.3	122.6	169.4	-78.7	167.1	0	0	0	108.4
5	P	55.2	Low	50.2	Low	119 Å²	119	116.3 Å²	116.3	77%	0.773	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-88.2	132.2	175.9	32.1	-27.4	0	0	0	111.3
6	G	50	Low	50.9	Low	66 Å²	66	114.4 Å²	114.4	68%	0.68	73%	0.727	S	S	*	*			trans	66.8	98.4	135.1	0	0	0	0	0	119.2
7	C	47.5	Very low	51.6	Low	136 Å²	136	112.8 Å²	112.8	92%	0.919	72%	0.716	S	S	*	*			trans	-139.4	70	147.3	-68.9	0	0	0	0	108.9
8	I	54.8	Low	52.6	Low	174 Å²	174	113.4 Å²	113.4	89%	0.892	71%	0.708	S	S	*	*			trans	-128.9	123.4	163.4	50	157.6	0	0	0	107.2
9	G	52.6	Low	54	Low	65 Å²	65	111.6 Å²	111.6	67%	0.67	70%	0.7	S	S	*	*	S	Bend	trans	138.3	10.9	164.6	0	0	0	0	0	119.2
10	L	49.1	Very low	55.4	Low	148 Å²	148	112.4 Å²	112.4	78%	0.775	70%	0.695	S	S	*	*	S	Bend	trans	-105.1	-25.5	177.4	-91.2	149.3	0	0	0	115	T14	L10-T14 PolarHBondContact O-OG1 2.94Å
11	D	50.7	Low	56.8	Low	142 Å²	142	112.4 Å²	112.4	76%	0.759	69%	0.687	S	S	*	*	H	α-helix	trans	-76.2	-28.5	-178.9	-93.6	-15.8	0	0	0	114.6	T14 A15	D11-T14 WeakPolarHBondContact CA-OG1 3.38Å; D11-T14 PolarHBondContact O-OG1 3.04Å; D11-A15 VanDerWaalsContact O-CB 3.32Å; D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 3.45Å; D11-A15 VanDerWaalsContact O-N 3.15Å
12	A	51.8	Low	59	Low	74 Å²	74	105.2 Å²	105.2	61%	0.612	65%	0.652	S	S	*	*	H	α-helix	trans	-73.2	-34.9	-178.1	0	0	0	0	0	111.8	T16	A12-T16 VanDerWaalsContact O-CG2 3.26Å; A12-T16 WeakPolarHBondContact O-CG2 3.49Å; A12-T16 PolarHBondContact O-N 3.19Å; A12-T16 PolarHBondContact O-OG1 2.97Å; A12-T16 VanDerWaalsContact O-OG1 3.06Å
13	A	51.4	Low	61.1	Low	55 Å²	55	102.3 Å²	102.3	46%	0.455	64%	0.635	S	S	.	*	H	α-helix	trans	-77.3	-34.9	-179.4	0	0	0	0	0	112.2	T16 V17	A13-T16 WeakPolarHBondContact CA-OG1 3.48Å; A13-T16 PolarHBondContact O-OG1 3.48Å; A13-V17 WeakPolarHBondContact O-CG2 3.44Å; A13-V17 PolarHBondContact O-N 3.31Å
14	T	57.4	Low	63.2	Low	71 Å²	71	102.8 Å²	102.8	44%	0.436	62%	0.624	S	S	.	*	H	α-helix	trans	-70.5	-41.9	174.3	39	0	0	0	0	111.9	L10 D11 T16 V17 E18	L10-T14 PolarHBondContact O-OG1 2.94Å; D11-T14 WeakPolarHBondContact CA-OG1 3.38Å; D11-T14 PolarHBondContact O-OG1 3.04Å; T14-T16 VanDerWaalsContact C-N 3.34Å; T14-T16 PolarHBondContact O-N 3.35Å; T14-V17 PolarHBondContact O-N 3.48Å; T14-E18 PolarHBondContact O-N 3.48Å
15	A	59.2	Low	65.1	Low	54 Å²	54	100 Å²	100	45%	0.446	61%	0.609	S	S	.	*	H	α-helix	trans	-65.9	-34.2	176.5	0	0	0	0	0	113.1	D11 S19	D11-A15 VanDerWaalsContact O-CB 3.32Å; D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 3.45Å; D11-A15 VanDerWaalsContact O-N 3.15Å; A15-S19 VanDerWaalsContact O-CB 3.3Å; A15-S19 WeakPolarHBondContact O-CB 3.35Å; A15-S19 PolarHBondContact O-N 2.9Å
16	T	61.2	Low	66.6	Low	86 Å²	86	98.5 Å²	98.5	53%	0.528	59%	0.592	S	S	.	*	H	α-helix	trans	-69.5	-38.5	174.6	49	0	0	0	0	112.2	A12 A13 T14 S19 E20	A12-T16 VanDerWaalsContact O-CG2 3.26Å; A12-T16 WeakPolarHBondContact O-CG2 3.49Å; A12-T16 PolarHBondContact O-N 3.19Å; A12-T16 PolarHBondContact O-OG1 2.97Å; A12-T16 VanDerWaalsContact O-OG1 3.06Å; A13-T16 WeakPolarHBondContact CA-OG1 3.48Å; A13-T16 PolarHBondContact O-OG1 3.48Å; T14-T16 VanDerWaalsContact C-N 3.34Å; T14-T16 PolarHBondContact O-N 3.35Å; T16-S19 PolarHBondContact O-N 3.37Å; T16-E20 WeakPolarHBondContact O-CB 3.26Å; T16-E20 PolarHBondContact O-N 2.99Å
17	V	63.5	Low	68.3	Low	87 Å²	87	101.1 Å²	101.1	53%	0.527	59%	0.586	S	S	.	*	H	α-helix	trans	-70.5	-41.2	178	172.8	0	0	0	0	110.9	A13 T14 S19 E20 E21	A13-V17 WeakPolarHBondContact O-CG2 3.44Å; A13-V17 PolarHBondContact O-N 3.31Å; T14-V17 PolarHBondContact O-N 3.48Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 3.08Å; V17-E20 PolarHBondContact O-N 2.98Å; V17-E21 VanDerWaalsContact O-CB 3.31Å; V17-E21 WeakPolarHBondContact O-CB 3.35Å; V17-E21 PolarHBondContact O-N 2.63Å
18	E	70.1	Confident	70.2	Confident	123 Å²	123	97 Å²	97	58%	0.575	56%	0.562	S	S	*	*	H	α-helix	trans	-63.3	-39.8	173.2	-78	179.9	163.7	0	0	111.8	T14 I22	T14-E18 PolarHBondContact O-N 3.48Å; E18-I22 WeakPolarHBondContact O-CB 3.34Å; E18-I22 VanDerWaalsContact O-CD1 3.25Å; E18-I22 WeakPolarHBondContact O-CD1 3.46Å; E18-I22 WeakPolarHBondContact O-CG1 3.2Å; E18-I22 PolarHBondContact O-N 2.66Å
19	S	78.6	Confident	71.7	Confident	79 Å²	79	91 Å²	91	55%	0.552	53%	0.534	S	S	*	.	H	α-helix	trans	-67.7	-36.2	177.9	-173	0	0	0	0	112.9	A15 T16 V17 A23	A15-S19 VanDerWaalsContact O-CB 3.3Å; A15-S19 WeakPolarHBondContact O-CB 3.35Å; A15-S19 PolarHBondContact O-N 2.9Å; T16-S19 PolarHBondContact O-N 3.37Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 3.08Å; S19-A23 PolarHBondContact O-N 3.41Å
20	E	81.9	Confident	73.6	Confident	128 Å²	128	90 Å²	90	60%	0.598	51%	0.514	S	S	*	.	H	α-helix	trans	-72.9	-42.2	178.4	-163.9	161.5	-161.3	0	0	110.7	T16 V17 I22 A23 E24	T16-E20 WeakPolarHBondContact O-CB 3.26Å; T16-E20 PolarHBondContact O-N 2.99Å; V17-E20 PolarHBondContact O-N 2.98Å; E20-I22 PolarHBondContact O-N 2.89Å; E20-A23 PolarHBondContact O-N 3.4Å; E20-E24 WeakPolarHBondContact O-CG 3.38Å; E20-E24 PolarHBondContact O-N 3.36Å
21	E	84.1	Confident	75.5	Confident	113 Å²	113	90.3 Å²	90.3	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-62.1	-40.1	173.9	-171.8	175.2	-173.2	0	0	112.3	V17 A23 E24 L25	V17-E21 VanDerWaalsContact O-CB 3.31Å; V17-E21 WeakPolarHBondContact O-CB 3.35Å; V17-E21 PolarHBondContact O-N 2.63Å; E21-A23 VanDerWaalsContact C-N 3.35Å; E21-A23 PolarHBondContact O-N 3.03Å; E21-E24 PolarHBondContact O-N 3.18Å; E21-L25 HydrophobicContact CG-CD1 4.43Å; E21-L25 WeakPolarHBondContact O-CB 3.19Å; E21-L25 VanDerWaalsContact O-CG 3.29Å; E21-L25 WeakPolarHBondContact O-CG 3.37Å; E21-L25 PolarHBondContact O-N 3Å
22	I	85.3	Confident	77.4	Confident	90 Å²	90	91.7 Å²	91.7	46%	0.462	51%	0.513	S	S	.	.	H	α-helix	trans	-65.2	-38.3	175.2	-70	163.1	0	0	0	111.4	E18 E20 L25 Q26	E18-I22 WeakPolarHBondContact O-CB 3.34Å; E18-I22 VanDerWaalsContact O-CD1 3.25Å; E18-I22 WeakPolarHBondContact O-CD1 3.46Å; E18-I22 WeakPolarHBondContact O-CG1 3.2Å; E18-I22 PolarHBondContact O-N 2.66Å; E20-I22 PolarHBondContact O-N 2.89Å; I22-L25 PolarHBondContact O-N 2.81Å; I22-Q26 VanDerWaalsContact O-CG 3.27Å; I22-Q26 WeakPolarHBondContact O-CG 3.25Å; I22-Q26 PolarHBondContact O-N 3.18Å
23	A	86.6	Confident	79	Confident	52 Å²	52	92.7 Å²	92.7	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-70.2	-40.4	179	0	0	0	0	0	111.9	S19 E20 E21 L25 Q26 Q27	S19-A23 PolarHBondContact O-N 3.41Å; E20-A23 PolarHBondContact O-N 3.4Å; E21-A23 VanDerWaalsContact C-N 3.35Å; E21-A23 PolarHBondContact O-N 3.03Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-Q26 PolarHBondContact O-N 3.13Å; A23-Q27 WeakPolarHBondContact O-CB 3.27Å; A23-Q27 PolarHBondContact O-N 3.21Å
24	E	88.8	Confident	80.9	Confident	133 Å²	133	93.3 Å²	93.3	62%	0.621	52%	0.52	S	S	*	.	H	α-helix	trans	-61.1	-42.9	172.8	-72.3	-176.7	179.1	0	0	111.4	E20 E21 Q27 A28	E20-E24 WeakPolarHBondContact O-CG 3.38Å; E20-E24 PolarHBondContact O-N 3.36Å; E21-E24 PolarHBondContact O-N 3.18Å; E24-Q27 PolarHBondContact O-N 2.88Å; E24-A28 WeakPolarHBondContact O-CB 3.09Å; E24-A28 PolarHBondContact O-N 3.02Å
25	L	86.8	Confident	82.5	Confident	105 Å²	105	92.2 Å²	92.2	55%	0.55	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-43.8	174.4	-75.7	167.3	0	0	0	112.3	E21 I22 A23 Q27 A28 V29	E21-L25 HydrophobicContact CG-CD1 4.43Å; E21-L25 WeakPolarHBondContact O-CB 3.19Å; E21-L25 VanDerWaalsContact O-CG 3.29Å; E21-L25 WeakPolarHBondContact O-CG 3.37Å; E21-L25 PolarHBondContact O-N 3Å; I22-L25 PolarHBondContact O-N 2.81Å; A23-L25 VanDerWaalsContact C-N 3.34Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.29Å; L25-A28 PolarHBondContact O-N 3.36Å; L25-V29 VanDerWaalsContact O-CG2 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.45Å; L25-V29 PolarHBondContact O-N 2.94Å
26	Q	86.6	Confident	84.1	Confident	88 Å²	88	91.4 Å²	91.4	41%	0.411	50%	0.502	S	S	.	.	H	α-helix	trans	-61.5	-42.8	176.3	-76	174	-4.5	0	0	111.7	I22 A23 V29 V30	I22-Q26 VanDerWaalsContact O-CG 3.27Å; I22-Q26 WeakPolarHBondContact O-CG 3.25Å; I22-Q26 PolarHBondContact O-N 3.18Å; A23-Q26 PolarHBondContact O-N 3.13Å; Q26-V29 PolarHBondContact O-N 3.44Å; Q26-V30 WeakPolarHBondContact O-CG2 3.31Å; Q26-V30 PolarHBondContact O-N 3.44Å; Q26-V30 VanDerWaalsContact O-N 3.08Å
27	Q	87.3	Confident	85.6	Confident	120 Å²	120	89.3 Å²	89.3	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-64.6	-43.4	177.6	-173.2	61.9	37.8	0	0	111.4	A23 E24 L25 V29 V30 E31	A23-Q27 WeakPolarHBondContact O-CB 3.27Å; A23-Q27 PolarHBondContact O-N 3.21Å; E24-Q27 PolarHBondContact O-N 2.88Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.29Å; Q27-V29 PolarHBondContact O-N 3.19Å; Q27-V30 PolarHBondContact O-N 2.97Å; Q27-E31 WeakPolarHBondContact O-CB 3.37Å; Q27-E31 PolarHBondContact O-N 2.94Å
28	A	86.8	Confident	87	Confident	50 Å²	50	91 Å²	91	41%	0.413	49%	0.489	S	S	.	.	H	α-helix	trans	-61.1	-42.7	176.6	0	0	0	0	0	112	E24 L25 E31 E32	E24-A28 WeakPolarHBondContact O-CB 3.09Å; E24-A28 PolarHBondContact O-N 3.02Å; L25-A28 PolarHBondContact O-N 3.36Å; A28-E31 PolarHBondContact O-N 3.48Å; A28-E32 VanDerWaalsContact O-CB 3.26Å; A28-E32 WeakPolarHBondContact O-CB 3.29Å; A28-E32 PolarHBondContact O-N 3.49Å
29	V	86.9	Confident	88.2	Confident	49 Å²	49	89.9 Å²	89.9	30%	0.297	48%	0.483	S	S	.	.	H	α-helix	trans	-64.8	-42.1	178.2	170.1	0	0	0	0	111.9	L25 Q26 Q27 L33 L40	L25-V29 VanDerWaalsContact O-CG2 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.45Å; L25-V29 PolarHBondContact O-N 2.94Å; Q26-V29 PolarHBondContact O-N 3.44Å; Q27-V29 PolarHBondContact O-N 3.19Å; V29-L33 HydrophobicContact CG1-CD1 3.64Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 PolarHBondContact O-N 3.01Å; V29-L40 HydrophobicContact CG1-CD2 3.62Å
30	V	90.6	Very high	88.9	Confident	42 Å²	42	87.8 Å²	87.8	26%	0.255	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-43.1	176.6	168.2	0	0	0	0	111.2	Q26 Q27 G34 M37	Q26-V30 WeakPolarHBondContact O-CG2 3.31Å; Q26-V30 PolarHBondContact O-N 3.44Å; Q26-V30 VanDerWaalsContact O-N 3.08Å; Q27-V30 PolarHBondContact O-N 2.97Å; V30-G34 WeakPolarHBondContact O-CA 3.24Å; V30-G34 PolarHBondContact O-N 3.47Å; V30-M37 HydrophobicContact CG2-CB 3.86Å
31	E	89.4	Confident	89.4	Confident	155 Å²	155	86.4 Å²	86.4	72%	0.724	46%	0.455	S	S	*	.	H	α-helix	trans	-68.9	-39.7	179.5	-168.7	172.1	-172.7	0	0	112.2	Q27 A28	Q27-E31 WeakPolarHBondContact O-CB 3.37Å; Q27-E31 PolarHBondContact O-N 2.94Å; A28-E31 PolarHBondContact O-N 3.48Å
32	E	91.9	Very high	90.1	Very high	171 Å²	171	86.4 Å²	86.4	80%	0.799	46%	0.455	S	S	*	.	H	α-helix	trans	-71.8	-44.5	-179.9	-175.3	175.1	-168.3	0	0	112.9	A28	A28-E32 VanDerWaalsContact O-CB 3.26Å; A28-E32 WeakPolarHBondContact O-CB 3.29Å; A28-E32 PolarHBondContact O-N 3.49Å
33	L	85.7	Confident	90.5	Very high	96 Å²	96	87.3 Å²	87.3	50%	0.503	46%	0.456	S	S	.	.	H	α-helix	trans	-84.4	-15.6	-177.3	-67.6	168.2	0	0	0	113.2	V29 I35 L40	V29-L33 HydrophobicContact CG1-CD1 3.64Å; V29-L33 WeakPolarHBondContact O-CB 3.49Å; V29-L33 PolarHBondContact O-N 3.01Å; L33-I35 HydrophobicContact CB-CD1 4.27Å; L33-I35 HydrophobicContact CB-CG1 3.83Å; L33-I35 HydrophobicContact CD1-CD1 4.47Å; L33-I35 PolarHBondContact O-N 3.28Å; L33-L40 HydrophobicContact CD1-CD1 4.47Å; L33-L40 HydrophobicContact CD1-CD2 4.18Å
34	G	89.8	Confident	91	Very high	68 Å²	68	88.9 Å²	88.9	70%	0.701	46%	0.456	S	S	*	.			trans	64.1	18.9	-179.4	0	0	0	0	0	114.3	V30	V30-G34 WeakPolarHBondContact O-CA 3.24Å; V30-G34 PolarHBondContact O-N 3.47Å
35	I	92.4	Very high	91.3	Very high	47 Å²	47	87.4 Å²	87.4	24%	0.241	45%	0.453	C	S	.	.	S	Bend	trans	-119.6	151.2	175.4	62.2	179.5	0	0	0	109.2	L33 E39 L40 F43	L33-I35 HydrophobicContact CB-CD1 4.27Å; L33-I35 HydrophobicContact CB-CG1 3.83Å; L33-I35 HydrophobicContact CD1-CD1 4.47Å; L33-I35 PolarHBondContact O-N 3.28Å; I35-E39 HydrophobicContact CB-CB 4.28Å; I35-L40 HydrophobicContact CD1-CB 3.93Å; I35-L40 HydrophobicContact CD1-CD1 4.2Å; I35-L40 HydrophobicContact CG1-CB 4.46Å; I35-F43 HydrophobicContact CD1-CD2 4.25Å; I35-F43 HydrophobicContact CD1-CE2 4.34Å
36	S	92.9	Very high	91.8	Very high	38 Å²	38	86.6 Å²	86.6	27%	0.266	45%	0.446	S	S	.	.			trans	-66.6	156.1	173.8	64.5	0	0	0	0	111.4	E38 E39 L40	S36-E38 PolarHBondContact O-N 3.49Å; S36-E39 WeakPolarHBondContact CB-OE2 3.32Å; S36-E39 PolarHBondContact N-OE2 2.91Å; S36-E39 PolarHBondContact O-N 3.3Å; S36-E39 VanDerWaalsContact O-N 3.13Å; S36-E39 WeakPolarHBondContact OG-CB 3.02Å; S36-E39 VanDerWaalsContact OG-CD 3.26Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 3.25Å; S36-E39 PolarHBondContact OG-OE2 3.06Å; S36-L40 PolarHBondContact O-N 3.04Å
37	M	92.5	Very high	92.3	Very high	42 Å²	42	87.8 Å²	87.8	21%	0.207	45%	0.451	C	S	.	.	H	α-helix	trans	-65	-27.9	176.9	-167.1	68.6	-161.4	0	0	111.4	V30 L40 R41	V30-M37 HydrophobicContact CG2-CB 3.86Å; M37-L40 HydrophobicContact CE-CD2 4.39Å; M37-L40 HydrophobicContact SD-CD2 4.18Å; M37-R41 VanDerWaalsContact CG-CZ 3.42Å; M37-R41 WeakPolarHBondContact O-CG 3.5Å; M37-R41 PolarHBondContact O-N 2.94Å; M37-R41 PolarHBondContact O-NE 2.99Å
38	E	92.8	Very high	92.8	Very high	122 Å²	122	85.6 Å²	85.6	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-63.8	-45.2	170.7	-70.1	64.3	-134.9	0	0	112.2	S36 R41 H42	S36-E38 PolarHBondContact O-N 3.49Å; E38-R41 PolarHBondContact O-N 3.2Å; E38-R41 IonicContact OE1-CZ 2.76Å; E38-R41 IonicContact OE1-NH2 2.74Å; E38-R41 PolarHBondContact OE1-NH2 3.49Å; E38-H42 WeakPolarHBondContact O-CB 3.43Å; E38-H42 PolarHBondContact O-N 3.01Å
39	E	94.1	Very high	93.2	Very high	99 Å²	99	86.9 Å²	86.9	46%	0.463	44%	0.441	S	S	.	.	H	α-helix	trans	-65.1	-41.7	177.3	-74.4	163.8	129.7	0	0	111.3	I35 S36 R41 H42 F43	I35-E39 HydrophobicContact CB-CB 4.28Å; S36-E39 WeakPolarHBondContact CB-OE2 3.32Å; S36-E39 PolarHBondContact N-OE2 2.91Å; S36-E39 PolarHBondContact O-N 3.3Å; S36-E39 VanDerWaalsContact O-N 3.13Å; S36-E39 WeakPolarHBondContact OG-CB 3.02Å; S36-E39 VanDerWaalsContact OG-CD 3.26Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 3.25Å; S36-E39 PolarHBondContact OG-OE2 3.06Å; E39-R41 PolarHBondContact O-N 3.15Å; E39-H42 WeakPolarHBondContact O-CB 3.3Å; E39-H42 PolarHBondContact O-N 2.91Å; E39-F43 HydrophobicContact CB-CE2 4.25Å; E39-F43 WeakPolarHBondContact O-CD2 3.37Å; E39-F43 WeakPolarHBondContact O-CG 3.46Å; E39-F43 PolarHBondContact O-N 3.38Å
40	L	93.1	Very high	93.7	Very high	35 Å²	35	89.6 Å²	89.6	18%	0.183	45%	0.448	C	S	.	.	H	α-helix	trans	-61.5	-44.4	175.3	-179.5	58.6	0	0	0	112	V29 L33 I35 S36 M37 H42 F43 I44	V29-L40 HydrophobicContact CG1-CD2 3.62Å; L33-L40 HydrophobicContact CD1-CD1 4.47Å; L33-L40 HydrophobicContact CD1-CD2 4.18Å; I35-L40 HydrophobicContact CD1-CB 3.93Å; I35-L40 HydrophobicContact CD1-CD1 4.2Å; I35-L40 HydrophobicContact CG1-CB 4.46Å; S36-L40 PolarHBondContact O-N 3.04Å; M37-L40 HydrophobicContact CE-CD2 4.39Å; M37-L40 HydrophobicContact SD-CD2 4.18Å; L40-H42 VanDerWaalsContact C-N 3.34Å; L40-H42 PolarHBondContact O-N 2.87Å; L40-F43 PolarHBondContact O-N 3.36Å; L40-I44 HydrophobicContact CD1-CD1 4.25Å; L40-I44 HydrophobicContact CD1-CG1 4.46Å; L40-I44 HydrophobicContact CG-CD1 4.08Å; L40-I44 VanDerWaalsContact O-CG1 3.31Å; L40-I44 WeakPolarHBondContact O-CG1 3.28Å; L40-I44 PolarHBondContact O-N 3.22Å
41	R	94.1	Very high	94	Very high	100 Å²	100	91.9 Å²	91.9	38%	0.377	46%	0.458	S	S	.	.	H	α-helix	trans	-58.8	-45.9	173.8	-79.9	-178.9	-81.6	-96.8	1.3	111.7	M37 E38 E39 F43 I44 D45	M37-R41 VanDerWaalsContact CG-CZ 3.42Å; M37-R41 WeakPolarHBondContact O-CG 3.5Å; M37-R41 PolarHBondContact O-N 2.94Å; M37-R41 PolarHBondContact O-NE 2.99Å; E38-R41 PolarHBondContact O-N 3.2Å; E38-R41 IonicContact OE1-CZ 2.76Å; E38-R41 IonicContact OE1-NH2 2.74Å; E38-R41 PolarHBondContact OE1-NH2 3.49Å; E39-R41 PolarHBondContact O-N 3.15Å; R41-F43 VanDerWaalsContact C-N 3.34Å; R41-F43 PolarHBondContact O-N 3.43Å; R41-I44 PolarHBondContact O-N 3.17Å; R41-D45 PolarHBondContact O-N 2.77Å
42	H	96.8	Very high	94.4	Very high	113 Å²	113	89.4 Å²	89.4	52%	0.523	45%	0.449	S	S	.	.	H	α-helix	trans	-59.7	-43.4	177.1	179.8	-76.8	0	0	0	111.8	E38 E39 L40 D45 E46	E38-H42 WeakPolarHBondContact O-CB 3.43Å; E38-H42 PolarHBondContact O-N 3.01Å; E39-H42 WeakPolarHBondContact O-CB 3.3Å; E39-H42 PolarHBondContact O-N 2.91Å; L40-H42 VanDerWaalsContact C-N 3.34Å; L40-H42 PolarHBondContact O-N 2.87Å; H42-D45 PolarHBondContact O-N 2.9Å; H42-E46 IonicContact CE1-OE1 3.84Å; H42-E46 VanDerWaalsContact O-CB 3.28Å; H42-E46 WeakPolarHBondContact O-CB 3.28Å; H42-E46 PolarHBondContact O-N 2.83Å
43	F	95.6	Very high	94.6	Very high	108 Å²	108	85 Å²	85	47%	0.474	44%	0.437	S	S	.	.	H	α-helix	trans	-63.7	-41.1	176.3	-70.4	-54.2	0	0	0	112.5	I35 E39 L40 R41 E46 E47	I35-F43 HydrophobicContact CD1-CD2 4.25Å; I35-F43 HydrophobicContact CD1-CE2 4.34Å; E39-F43 HydrophobicContact CB-CE2 4.25Å; E39-F43 WeakPolarHBondContact O-CD2 3.37Å; E39-F43 WeakPolarHBondContact O-CG 3.46Å; E39-F43 PolarHBondContact O-N 3.38Å; L40-F43 PolarHBondContact O-N 3.36Å; R41-F43 VanDerWaalsContact C-N 3.34Å; R41-F43 PolarHBondContact O-N 3.43Å; F43-E46 PolarHBondContact O-N 3.31Å; F43-E47 VanDerWaalsContact O-CB 3.28Å; F43-E47 WeakPolarHBondContact O-CB 3.31Å; F43-E47 PolarHBondContact O-N 3.29Å
44	I	95.4	Very high	95.1	Very high	85 Å²	85	82.9 Å²	82.9	44%	0.436	43%	0.427	S	S	.	.	H	α-helix	trans	-61.1	-49	175.2	-68.2	165	0	0	0	109.9	L40 R41 E46 E47 L48	L40-I44 HydrophobicContact CD1-CD1 4.25Å; L40-I44 HydrophobicContact CD1-CG1 4.46Å; L40-I44 HydrophobicContact CG-CD1 4.08Å; L40-I44 VanDerWaalsContact O-CG1 3.31Å; L40-I44 WeakPolarHBondContact O-CG1 3.28Å; L40-I44 PolarHBondContact O-N 3.22Å; R41-I44 PolarHBondContact O-N 3.17Å; I44-E46 PolarHBondContact O-N 2.98Å; I44-E47 PolarHBondContact O-N 2.83Å; I44-L48 HydrophobicContact CG2-CD1 3.85Å; I44-L48 HydrophobicContact CG2-CG 4.24Å; I44-L48 WeakPolarHBondContact O-CB 3.46Å; I44-L48 WeakPolarHBondContact O-CG 3.43Å; I44-L48 PolarHBondContact O-N 3.48Å
45	D	96.4	Very high	95.5	Very high	103 Å²	103	84 Å²	84	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-63.1	-42.5	179.8	-70.6	-22.8	0	0	0	112	R41 H42 L48 E49	R41-D45 PolarHBondContact O-N 2.77Å; H42-D45 PolarHBondContact O-N 2.9Å; D45-L48 PolarHBondContact O-N 2.92Å; D45-E49 WeakPolarHBondContact O-CB 3.46Å; D45-E49 PolarHBondContact O-N 2.76Å
46	E	97.1	Very high	95.8	Very high	88 Å²	88	84.9 Å²	84.9	41%	0.411	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-43.1	176.9	-167.9	-166.2	-100.3	0	0	111.2	H42 F43 I44 E49 K50	H42-E46 IonicContact CE1-OE1 3.84Å; H42-E46 VanDerWaalsContact O-CB 3.28Å; H42-E46 WeakPolarHBondContact O-CB 3.28Å; H42-E46 PolarHBondContact O-N 2.83Å; F43-E46 PolarHBondContact O-N 3.31Å; I44-E46 PolarHBondContact O-N 2.98Å; E46-E49 PolarHBondContact O-N 2.9Å; E46-K50 WeakPolarHBondContact O-CG 3.19Å; E46-K50 PolarHBondContact O-N 3.38Å; E46-K50 IonicContact OE2-NZ 2.63Å; E46-K50 PolarHBondContact OE2-NZ 3.32Å
47	E	97.2	Very high	96	Very high	112 Å²	112	91 Å²	91	52%	0.523	44%	0.435	S	S	.	.	H	α-helix	trans	-70.1	-37.2	178.6	-157.4	61.9	-149.7	0	0	111.5	F43 I44 E49 K50	F43-E47 VanDerWaalsContact O-CB 3.28Å; F43-E47 WeakPolarHBondContact O-CB 3.31Å; F43-E47 PolarHBondContact O-N 3.29Å; I44-E47 PolarHBondContact O-N 2.83Å; E47-E49 VanDerWaalsContact C-N 3.34Å; E47-E49 PolarHBondContact O-N 3.49Å; E47-K50 WeakPolarHBondContact O-CB 3.34Å; E47-K50 PolarHBondContact O-N 3.2Å; E47-K50 IonicContact OE2-NZ 3.08Å; E47-K50 PolarHBondContact OE2-NZ 3.48Å
48	L	96.6	Very high	96.2	Very high	74 Å²	74	94.2 Å²	94.2	39%	0.387	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-38.6	172.4	-74.1	176.7	0	0	0	111.8	I44 D45 K50 M51 V54	I44-L48 HydrophobicContact CG2-CD1 3.85Å; I44-L48 HydrophobicContact CG2-CG 4.24Å; I44-L48 WeakPolarHBondContact O-CB 3.46Å; I44-L48 WeakPolarHBondContact O-CG 3.43Å; I44-L48 PolarHBondContact O-N 3.48Å; D45-L48 PolarHBondContact O-N 2.92Å; L48-K50 PolarHBondContact O-N 3.29Å; L48-M51 HydrophobicContact CD2-SD 3.64Å; L48-M51 VanDerWaalsContact O-CB 3.31Å; L48-M51 WeakPolarHBondContact O-CB 3.49Å; L48-M51 PolarHBondContact O-N 2.74Å; L48-V54 WeakPolarHBondContact O-CB 3.48Å; L48-V54 WeakPolarHBondContact O-CG2 3.38Å
49	E	96.1	Very high	96.5	Very high	78 Å²	78	95.8 Å²	95.8	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-67.7	-21.7	177.3	-169.4	70.9	-146.9	0	0	112.2	D45 E46 E47 M51 Q55 K58	D45-E49 WeakPolarHBondContact O-CB 3.46Å; D45-E49 PolarHBondContact O-N 2.76Å; E46-E49 PolarHBondContact O-N 2.9Å; E47-E49 VanDerWaalsContact C-N 3.34Å; E47-E49 PolarHBondContact O-N 3.49Å; E49-M51 VanDerWaalsContact C-N 3.29Å; E49-Q55 WeakPolarHBondContact O-CG 3.19Å; E49-Q55 PolarHBondContact O-NE2 2.82Å; E49-K58 WeakPolarHBondContact OE1-CD 3.35Å; E49-K58 IonicContact OE1-NZ 3.84Å; E49-K58 PolarHBondContact OE1-NZ 3.25Å; E49-K58 IonicContact OE2-NZ 2.69Å; E49-K58 PolarHBondContact OE2-NZ 3.36Å
50	K	96.3	Very high	96.7	Very high	105 Å²	105	95.5 Å²	95.5	46%	0.457	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.3	172	-65.5	167.9	-160.4	159.2	0	112.6	E46 E47 L48 D52	E46-K50 WeakPolarHBondContact O-CG 3.19Å; E46-K50 PolarHBondContact O-N 3.38Å; E46-K50 IonicContact OE2-NZ 2.63Å; E46-K50 PolarHBondContact OE2-NZ 3.32Å; E47-K50 WeakPolarHBondContact O-CB 3.34Å; E47-K50 PolarHBondContact O-N 3.2Å; E47-K50 IonicContact OE2-NZ 3.08Å; E47-K50 PolarHBondContact OE2-NZ 3.48Å; L48-K50 PolarHBondContact O-N 3.29Å; K50-D52 PolarHBondContact O-N 3.08Å
51	M	97.6	Very high	96.9	Very high	91 Å²	91	98.4 Å²	98.4	45%	0.448	47%	0.466	S	S	.	.			trans	-73.2	122.5	-179	-59.9	-178.2	69.4	0	0	111.2	L48 E49 C53 V54 Q55	L48-M51 HydrophobicContact CD2-SD 3.64Å; L48-M51 VanDerWaalsContact O-CB 3.31Å; L48-M51 WeakPolarHBondContact O-CB 3.49Å; L48-M51 PolarHBondContact O-N 2.74Å; E49-M51 VanDerWaalsContact C-N 3.29Å; M51-C53 PolarHBondContact O-N 3.38Å; M51-C53 VanDerWaalsContact O-N 3.13Å; M51-V54 HydrophobicContact CB-CB 4.35Å; M51-V54 HydrophobicContact CB-CG2 4.06Å; M51-V54 WeakPolarHBondContact O-CB 3.46Å; M51-V54 PolarHBondContact O-N 2.99Å; M51-Q55 PolarHBondContact O-N 3.13Å; M51-Q55 VanDerWaalsContact O-N 3.08Å
52	D	97.4	Very high	97.1	Very high	103 Å²	103	96 Å²	96	55%	0.551	47%	0.468	S	S	*	.	H	α-helix	trans	-49.2	-40.3	178	-99.4	28.3	0	0	0	113.9	K50 V54 Q56 K194	K50-D52 PolarHBondContact O-N 3.08Å; D52-V54 VanDerWaalsContact C-N 3.35Å; D52-Q56 VanDerWaalsContact O-CB 3.25Å; D52-Q56 WeakPolarHBondContact O-CB 3.36Å; D52-Q56 PolarHBondContact O-N 3.32Å; D52-K194 IonicContact OD2-NZ 3.18Å; D52-K194 PolarHBondContact OD2-NZ 3.05Å; D52-K194 VanDerWaalsContact OD2-NZ 3.08Å
53	C	95.9	Very high	97.2	Very high	79 Å²	79	95.9 Å²	95.9	53%	0.534	47%	0.467	S	S	.	.	H	α-helix	trans	-67.7	-35.6	-178.9	62.2	0	0	0	0	112.2	M51 R57	M51-C53 PolarHBondContact O-N 3.38Å; M51-C53 VanDerWaalsContact O-N 3.13Å; C53-R57 WeakPolarHBondContact O-CB 3.45Å; C53-R57 PolarHBondContact O-N 3.34Å
54	V	97.6	Very high	97.3	Very high	51 Å²	51	95.7 Å²	95.7	31%	0.309	47%	0.471	S	S	.	.	H	α-helix	trans	-70.4	-47.8	176.7	175	0	0	0	0	109.5	L48 M51 D52 Q56 R57 K58	L48-V54 WeakPolarHBondContact O-CB 3.48Å; L48-V54 WeakPolarHBondContact O-CG2 3.38Å; M51-V54 HydrophobicContact CB-CB 4.35Å; M51-V54 HydrophobicContact CB-CG2 4.06Å; M51-V54 WeakPolarHBondContact O-CB 3.46Å; M51-V54 PolarHBondContact O-N 2.99Å; D52-V54 VanDerWaalsContact C-N 3.35Å; V54-Q56 PolarHBondContact O-N 2.93Å; V54-R57 PolarHBondContact O-N 2.91Å; V54-K58 WeakPolarHBondContact O-CB 3.34Å; V54-K58 PolarHBondContact O-N 2.89Å
55	Q	97.8	Very high	97.4	Very high	92 Å²	92	97.7 Å²	97.7	43%	0.43	48%	0.478	S	S	.	.	H	α-helix	trans	-60	-44.4	176.6	-66.5	-173.7	-3.9	0	0	112.4	E49 M51 R57 K58 K59	E49-Q55 WeakPolarHBondContact O-CG 3.19Å; E49-Q55 PolarHBondContact O-NE2 2.82Å; M51-Q55 PolarHBondContact O-N 3.13Å; M51-Q55 VanDerWaalsContact O-N 3.08Å; Q55-R57 PolarHBondContact O-N 3.38Å; Q55-K58 PolarHBondContact O-N 3.31Å; Q55-K59 WeakPolarHBondContact O-CB 3.31Å; Q55-K59 PolarHBondContact O-N 3.05Å
56	Q	98.1	Very high	97.5	Very high	65 Å²	65	97 Å²	97	30%	0.304	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-45.1	177.6	-179	173.3	-13.2	0	0	111.2	D52 V54 K59 Q60	D52-Q56 VanDerWaalsContact O-CB 3.25Å; D52-Q56 WeakPolarHBondContact O-CB 3.36Å; D52-Q56 PolarHBondContact O-N 3.32Å; V54-Q56 PolarHBondContact O-N 2.93Å; Q56-K59 PolarHBondContact O-N 3.43Å; Q56-Q60 WeakPolarHBondContact O-CG 3.46Å; Q56-Q60 PolarHBondContact O-N 2.89Å
57	R	97.7	Very high	97.6	Very high	166 Å²	166	98.7 Å²	98.7	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-64.9	-40.8	178	-170.7	172.5	-175.6	87.7	0.4	111.8	C53 V54 Q55 K59 Q60 L61	C53-R57 WeakPolarHBondContact O-CB 3.45Å; C53-R57 PolarHBondContact O-N 3.34Å; V54-R57 PolarHBondContact O-N 2.91Å; Q55-R57 PolarHBondContact O-N 3.38Å; R57-K59 VanDerWaalsContact C-N 3.35Å; R57-Q60 PolarHBondContact O-N 3.35Å; R57-L61 HydrophobicContact CG-CD1 4.29Å; R57-L61 WeakPolarHBondContact O-CB 3.35Å; R57-L61 WeakPolarHBondContact O-CG 3.25Å; R57-L61 PolarHBondContact O-N 2.86Å
58	K	97.5	Very high	97.7	Very high	110 Å²	110	96.6 Å²	96.6	48%	0.478	48%	0.475	S	S	.	.	H	α-helix	trans	-61.5	-42.6	175.7	-169.4	175.3	-177.6	175.8	0	111.5	E49 V54 Q55 L61 A62	E49-K58 WeakPolarHBondContact OE1-CD 3.35Å; E49-K58 IonicContact OE1-NZ 3.84Å; E49-K58 PolarHBondContact OE1-NZ 3.25Å; E49-K58 IonicContact OE2-NZ 2.69Å; E49-K58 PolarHBondContact OE2-NZ 3.36Å; V54-K58 WeakPolarHBondContact O-CB 3.34Å; V54-K58 PolarHBondContact O-N 2.89Å; Q55-K58 PolarHBondContact O-N 3.31Å; K58-L61 PolarHBondContact O-N 3.5Å; K58-A62 WeakPolarHBondContact O-CB 3.45Å; K58-A62 PolarHBondContact O-N 3.49Å
59	K	97.7	Very high	97.8	Very high	154 Å²	154	97.7 Å²	97.7	67%	0.67	48%	0.481	S	S	*	.	H	α-helix	trans	-63.3	-45.7	174.3	-175.7	178.6	178.1	179.5	0	112.3	Q55 Q56 R57 L61 A62 E63	Q55-K59 WeakPolarHBondContact O-CB 3.31Å; Q55-K59 PolarHBondContact O-N 3.05Å; Q56-K59 PolarHBondContact O-N 3.43Å; R57-K59 VanDerWaalsContact C-N 3.35Å; K59-L61 VanDerWaalsContact C-N 3.31Å; K59-L61 PolarHBondContact O-N 3.08Å; K59-A62 PolarHBondContact O-N 2.99Å; K59-E63 PolarHBondContact O-N 3.03Å
60	Q	98.1	Very high	97.9	Very high	93 Å²	93	98.1 Å²	98.1	44%	0.435	48%	0.482	S	S	.	.	H	α-helix	trans	-61.3	-40.7	176.8	-73.5	176.3	-37.7	0	0	111.8	Q56 R57 L64	Q56-Q60 WeakPolarHBondContact O-CG 3.46Å; Q56-Q60 PolarHBondContact O-N 2.89Å; R57-Q60 PolarHBondContact O-N 3.35Å; Q60-L64 WeakPolarHBondContact O-CB 3.36Å; Q60-L64 PolarHBondContact O-N 2.87Å
61	L	98.1	Very high	98	Very high	97 Å²	97	98 Å²	98	51%	0.508	48%	0.482	S	S	.	.	H	α-helix	trans	-64.6	-45	175.8	-76.9	169.8	0	0	0	111.6	R57 K58 K59 E63 L64 E65	R57-L61 HydrophobicContact CG-CD1 4.29Å; R57-L61 WeakPolarHBondContact O-CB 3.35Å; R57-L61 WeakPolarHBondContact O-CG 3.25Å; R57-L61 PolarHBondContact O-N 2.86Å; K58-L61 PolarHBondContact O-N 3.5Å; K59-L61 VanDerWaalsContact C-N 3.31Å; K59-L61 PolarHBondContact O-N 3.08Å; L61-E63 PolarHBondContact O-N 2.98Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-E65 WeakPolarHBondContact O-CB 3.3Å; L61-E65 PolarHBondContact O-N 3.17Å
62	A	98.4	Very high	98	Very high	49 Å²	49	99.7 Å²	99.7	41%	0.405	49%	0.489	S	S	.	.	H	α-helix	trans	-63	-42	177.6	0	0	0	0	0	112.2	K58 K59 E65 T66	K58-A62 WeakPolarHBondContact O-CB 3.45Å; K58-A62 PolarHBondContact O-N 3.49Å; K59-A62 PolarHBondContact O-N 2.99Å; A62-E65 PolarHBondContact O-N 3.03Å; A62-T66 WeakPolarHBondContact O-CG2 3.37Å; A62-T66 PolarHBondContact O-N 3.28Å; A62-T66 PolarHBondContact O-OG1 3.49Å
63	E	98.3	Very high	98.1	Very high	110 Å²	110	98 Å²	98	51%	0.514	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-45.3	174.3	-176.1	176.5	-177.5	0	0	111	K59 L61 E65 T66 W67	K59-E63 PolarHBondContact O-N 3.03Å; L61-E63 PolarHBondContact O-N 2.98Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-E65 PolarHBondContact O-N 3.48Å; E63-T66 PolarHBondContact O-N 3.05Å; E63-T66 PolarHBondContact O-OG1 3.25Å; E63-W67 VanDerWaalsContact O-CD1 3.28Å; E63-W67 PolarHBondContact O-N 3.4Å
64	L	98.3	Very high	98.2	Very high	105 Å²	105	97.9 Å²	97.9	55%	0.55	48%	0.477	S	S	.	.	H	α-helix	trans	-63.7	-40.2	177.9	-171.7	65.7	0	0	0	112.2	Q60 L61 T66 W67 V68	Q60-L64 WeakPolarHBondContact O-CB 3.36Å; Q60-L64 PolarHBondContact O-N 2.87Å; L61-L64 PolarHBondContact O-N 3.39Å; L64-T66 VanDerWaalsContact C-N 3.34Å; L64-T66 PolarHBondContact O-N 3.46Å; L64-W67 WeakPolarHBondContact O-CB 3.35Å; L64-W67 PolarHBondContact O-N 2.82Å; L64-V68 WeakPolarHBondContact O-CG2 3.44Å; L64-V68 PolarHBondContact O-N 2.96Å
65	E	98.4	Very high	98.3	Very high	126 Å²	126	99.4 Å²	99.4	59%	0.589	49%	0.486	S	S	*	.	H	α-helix	trans	-58.7	-46.1	175.3	-176.4	175.2	-167.7	0	0	110.8	L61 A62 E63 W67 V68 I69	L61-E65 WeakPolarHBondContact O-CB 3.3Å; L61-E65 PolarHBondContact O-N 3.17Å; A62-E65 PolarHBondContact O-N 3.03Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-E65 PolarHBondContact O-N 3.48Å; E65-W67 VanDerWaalsContact C-N 3.32Å; E65-W67 PolarHBondContact O-N 3.25Å; E65-V68 PolarHBondContact O-N 2.68Å; E65-I69 HydrophobicContact CG-CD1 4.05Å; E65-I69 VanDerWaalsContact O-CG1 3.3Å; E65-I69 WeakPolarHBondContact O-CG1 3.44Å; E65-I69 PolarHBondContact O-N 3.49Å
66	T	98.4	Very high	98.3	Very high	88 Å²	88	97.9 Å²	97.9	54%	0.54	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-38.5	175	59.6	0	0	0	0	112.8	A62 E63 L64 Q70	A62-T66 WeakPolarHBondContact O-CG2 3.37Å; A62-T66 PolarHBondContact O-N 3.28Å; A62-T66 PolarHBondContact O-OG1 3.49Å; E63-T66 PolarHBondContact O-N 3.05Å; E63-T66 PolarHBondContact O-OG1 3.25Å; L64-T66 VanDerWaalsContact C-N 3.34Å; L64-T66 PolarHBondContact O-N 3.46Å; T66-Q70 WeakPolarHBondContact O-CB 3.45Å; T66-Q70 PolarHBondContact O-N 3.42Å
67	W	98.4	Very high	98.3	Very high	125 Å²	125	100.3 Å²	100.3	47%	0.473	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-40.5	175.6	-89	109.9	0	0	0	112.9	E63 L64 E65 Q70 K71	E63-W67 VanDerWaalsContact O-CD1 3.28Å; E63-W67 PolarHBondContact O-N 3.4Å; L64-W67 WeakPolarHBondContact O-CB 3.35Å; L64-W67 PolarHBondContact O-N 2.82Å; E65-W67 VanDerWaalsContact C-N 3.32Å; E65-W67 PolarHBondContact O-N 3.25Å; W67-Q70 PolarHBondContact O-N 3.41Å; W67-K71 WeakPolarHBondContact O-CB 3.44Å; W67-K71 WeakPolarHBondContact O-CG 3.32Å; W67-K71 PolarHBondContact O-N 3.37Å
68	V	98.8	Very high	98.4	Very high	67 Å²	67	95.5 Å²	95.5	41%	0.406	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-50.4	176.7	168.5	0	0	0	0	109.8	L64 E65 Q70 K71 E72	L64-V68 WeakPolarHBondContact O-CG2 3.44Å; L64-V68 PolarHBondContact O-N 2.96Å; E65-V68 PolarHBondContact O-N 2.68Å; V68-Q70 VanDerWaalsContact C-N 3.29Å; V68-Q70 PolarHBondContact O-N 3.49Å; V68-K71 PolarHBondContact O-N 2.94Å; V68-E72 HydrophobicContact CG1-CG 4.25Å; V68-E72 WeakPolarHBondContact O-CG 3.43Å; V68-E72 PolarHBondContact O-N 3.28Å
69	I	98.6	Very high	98.4	Very high	98 Å²	98	94.6 Å²	94.6	50%	0.503	49%	0.49	S	S	.	.	H	α-helix	trans	-56.9	-45	178.3	-67.6	165.4	0	0	0	110.8	E65 K71 E72 S73	E65-I69 HydrophobicContact CG-CD1 4.05Å; E65-I69 VanDerWaalsContact O-CG1 3.3Å; E65-I69 WeakPolarHBondContact O-CG1 3.44Å; E65-I69 PolarHBondContact O-N 3.49Å; I69-K71 PolarHBondContact O-N 3.46Å; I69-E72 PolarHBondContact O-N 3.38Å; I69-S73 PolarHBondContact O-N 2.94Å
70	Q	98.6	Very high	98.5	Very high	86 Å²	86	91.9 Å²	91.9	40%	0.402	48%	0.479	S	S	.	.	H	α-helix	trans	-60.5	-47.2	176.2	-178.8	-179.5	-9.8	0	0	111.3	T66 W67 V68 E72 S73 E74	T66-Q70 WeakPolarHBondContact O-CB 3.45Å; T66-Q70 PolarHBondContact O-N 3.42Å; W67-Q70 PolarHBondContact O-N 3.41Å; V68-Q70 VanDerWaalsContact C-N 3.29Å; V68-Q70 PolarHBondContact O-N 3.49Å; Q70-E72 PolarHBondContact O-N 3.01Å; Q70-S73 PolarHBondContact O-N 2.94Å; Q70-S73 PolarHBondContact O-OG 3.38Å; Q70-E74 PolarHBondContact NE2-OE1 3.49Å; Q70-E74 WeakPolarHBondContact O-CG 3.32Å; Q70-E74 PolarHBondContact O-N 2.94Å
71	K	98.6	Very high	98.5	Very high	104 Å²	104	91.9 Å²	91.9	45%	0.452	48%	0.482	S	S	.	.	H	α-helix	trans	-65.6	-39	-178.6	-77.4	-72.3	164.6	-156.3	0	112.9	W67 V68 I69 S73 E74 V75	W67-K71 WeakPolarHBondContact O-CB 3.44Å; W67-K71 WeakPolarHBondContact O-CG 3.32Å; W67-K71 PolarHBondContact O-N 3.37Å; V68-K71 PolarHBondContact O-N 2.94Å; I69-K71 PolarHBondContact O-N 3.46Å; K71-S73 VanDerWaalsContact C-N 3.31Å; K71-S73 PolarHBondContact O-N 3.14Å; K71-E74 IonicContact NZ-OE2 3.61Å; K71-E74 PolarHBondContact NZ-OE2 2.85Å; K71-E74 PolarHBondContact O-N 3.04Å; K71-V75 WeakPolarHBondContact O-CG2 3.43Å; K71-V75 PolarHBondContact O-N 3.49Å
72	E	98.6	Very high	98.5	Very high	125 Å²	125	93.6 Å²	93.6	58%	0.584	49%	0.485	S	S	*	.	H	α-helix	trans	-61.6	-41.1	173.4	-71.4	176.8	163.3	0	0	111.1	V68 I69 Q70 E74 V75 A76	V68-E72 HydrophobicContact CG1-CG 4.25Å; V68-E72 WeakPolarHBondContact O-CG 3.43Å; V68-E72 PolarHBondContact O-N 3.28Å; I69-E72 PolarHBondContact O-N 3.38Å; Q70-E72 PolarHBondContact O-N 3.01Å; E72-E74 PolarHBondContact O-N 3.05Å; E72-V75 PolarHBondContact O-N 3.48Å; E72-A76 WeakPolarHBondContact O-CB 3.44Å; E72-A76 PolarHBondContact O-N 3.28Å
73	S	98.5	Very high	98.6	Very high	69 Å²	69	95.5 Å²	95.5	48%	0.483	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-37.8	175.5	79.2	0	0	0	0	113.2	I69 Q70 K71 H77	I69-S73 PolarHBondContact O-N 2.94Å; Q70-S73 PolarHBondContact O-N 2.94Å; Q70-S73 PolarHBondContact O-OG 3.38Å; K71-S73 VanDerWaalsContact C-N 3.31Å; K71-S73 PolarHBondContact O-N 3.14Å; S73-H77 WeakPolarHBondContact O-CB 3.48Å; S73-H77 PolarHBondContact O-N 3.06Å
74	E	98.6	Very high	98.6	Very high	75 Å²	75	93.7 Å²	93.7	35%	0.35	48%	0.482	S	S	.	.	H	α-helix	trans	-67.3	-41.1	176.2	-73.1	174	-168.3	0	0	111.4	Q70 K71 E72 H77 V78	Q70-E74 PolarHBondContact NE2-OE1 3.49Å; Q70-E74 WeakPolarHBondContact O-CG 3.32Å; Q70-E74 PolarHBondContact O-N 2.94Å; K71-E74 IonicContact NZ-OE2 3.61Å; K71-E74 PolarHBondContact NZ-OE2 2.85Å; K71-E74 PolarHBondContact O-N 3.04Å; E72-E74 PolarHBondContact O-N 3.05Å; E74-H77 PolarHBondContact O-N 3.32Å; E74-V78 WeakPolarHBondContact O-CG2 3.31Å; E74-V78 PolarHBondContact O-N 2.98Å
75	V	98.7	Very high	98.6	Very high	84 Å²	84	91.2 Å²	91.2	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-48.6	175.4	170.4	0	0	0	0	110.3	K71 E72 H77 V78 D79	K71-V75 WeakPolarHBondContact O-CG2 3.43Å; K71-V75 PolarHBondContact O-N 3.49Å; E72-V75 PolarHBondContact O-N 3.48Å; V75-H77 VanDerWaalsContact C-N 3.26Å; V75-H77 PolarHBondContact O-N 3.16Å; V75-V78 PolarHBondContact O-N 2.67Å; V75-D79 PolarHBondContact O-N 3.2Å
76	A	98.6	Very high	98.6	Very high	59 Å²	59	88.5 Å²	88.5	49%	0.488	47%	0.472	S	S	.	.	H	α-helix	trans	-58.7	-38.2	177.5	0	0	0	0	0	112.4	E72 Q80	E72-A76 WeakPolarHBondContact O-CB 3.44Å; E72-A76 PolarHBondContact O-N 3.28Å; A76-Q80 WeakPolarHBondContact O-CB 3.43Å; A76-Q80 PolarHBondContact O-N 3.49Å
77	H	98.6	Very high	98.6	Very high	117 Å²	117	91.1 Å²	91.1	54%	0.542	47%	0.472	S	S	.	.	H	α-helix	trans	-65.7	-40.9	175.1	175.1	-99	0	0	0	112.5	S73 E74 V75 Q80 L81	S73-H77 WeakPolarHBondContact O-CB 3.48Å; S73-H77 PolarHBondContact O-N 3.06Å; E74-H77 PolarHBondContact O-N 3.32Å; V75-H77 VanDerWaalsContact C-N 3.26Å; V75-H77 PolarHBondContact O-N 3.16Å; H77-Q80 PolarHBondContact O-N 2.95Å; H77-L81 WeakPolarHBondContact O-CG 3.46Å; H77-L81 PolarHBondContact O-N 3.37Å; H77-L81 VanDerWaalsContact O-N 3.09Å
78	V	98.7	Very high	98.6	Very high	65 Å²	65	87.5 Å²	87.5	39%	0.394	47%	0.469	S	S	.	.	H	α-helix	trans	-66.9	-43.6	177.1	170.2	0	0	0	0	111.2	E74 V75 Q80 L81 F82	E74-V78 WeakPolarHBondContact O-CG2 3.31Å; E74-V78 PolarHBondContact O-N 2.98Å; V75-V78 PolarHBondContact O-N 2.67Å; V78-Q80 VanDerWaalsContact C-N 3.29Å; V78-Q80 PolarHBondContact O-N 3.45Å; V78-L81 WeakPolarHBondContact O-CB 3.36Å; V78-L81 PolarHBondContact O-N 2.87Å; V78-L81 VanDerWaalsContact O-N 3.12Å; V78-F82 HydrophobicContact CG1-CD2 3.71Å; V78-F82 HydrophobicContact CG1-CE2 3.52Å; V78-F82 VanDerWaalsContact O-CD2 3.28Å; V78-F82 WeakPolarHBondContact O-CD2 3.23Å; V78-F82 PolarHBondContact O-N 3.39Å
79	D	98.6	Very high	98.5	Very high	91 Å²	91	89 Å²	89	49%	0.487	48%	0.478	S	S	.	.	H	α-helix	trans	-59.1	-42.7	176.4	-70.7	-20.3	0	0	0	111.1	V75 L81 F82 D83	V75-D79 PolarHBondContact O-N 3.2Å; D79-L81 VanDerWaalsContact C-N 3.34Å; D79-L81 PolarHBondContact O-N 2.92Å; D79-F82 WeakPolarHBondContact O-CB 3.28Å; D79-F82 PolarHBondContact O-N 3.32Å; D79-F82 VanDerWaalsContact O-N 3.16Å; D79-D83 PolarHBondContact O-N 3.45Å
80	Q	98.8	Very high	98.4	Very high	96 Å²	96	88.3 Å²	88.3	45%	0.449	48%	0.479	S	S	.	.	H	α-helix	trans	-59.7	-43	174.3	-177.6	61.4	50.7	0	0	112.3	A76 H77 V78 F82 D83 D84	A76-Q80 WeakPolarHBondContact O-CB 3.43Å; A76-Q80 PolarHBondContact O-N 3.49Å; H77-Q80 PolarHBondContact O-N 2.95Å; V78-Q80 VanDerWaalsContact C-N 3.29Å; V78-Q80 PolarHBondContact O-N 3.45Å; Q80-F82 VanDerWaalsContact C-N 3.31Å; Q80-F82 PolarHBondContact O-N 2.94Å; Q80-D83 PolarHBondContact O-N 3.16Å; Q80-D84 VanDerWaalsContact NE2-CG 3.33Å; Q80-D84 PolarHBondContact NE2-OD1 3.44Å; Q80-D84 PolarHBondContact NE2-OD2 2.94Å; Q80-D84 VanDerWaalsContact NE2-OD2 3.14Å; Q80-D84 WeakPolarHBondContact O-CB 3.45Å; Q80-D84 VanDerWaalsContact O-CG 3.27Å; Q80-D84 PolarHBondContact O-N 2.98Å
81	L	98.8	Very high	98.4	Very high	93 Å²	93	88.3 Å²	88.3	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-37.1	176.3	-72.5	175.7	0	0	0	112.2	H77 V78 D79 A85	H77-L81 WeakPolarHBondContact O-CG 3.46Å; H77-L81 PolarHBondContact O-N 3.37Å; H77-L81 VanDerWaalsContact O-N 3.09Å; V78-L81 WeakPolarHBondContact O-CB 3.36Å; V78-L81 PolarHBondContact O-N 2.87Å; V78-L81 VanDerWaalsContact O-N 3.12Å; D79-L81 VanDerWaalsContact C-N 3.34Å; D79-L81 PolarHBondContact O-N 2.92Å; L81-A85 VanDerWaalsContact O-CB 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.43Å; L81-A85 PolarHBondContact O-N 3.09Å
82	F	98.6	Very high	98.4	Very high	133 Å²	133	87 Å²	87	58%	0.583	48%	0.484	S	S	*	.	H	α-helix	trans	-64.3	-47.4	174.1	-85.9	-72.6	0	0	0	111.3	V78 D79 Q80 D84 A85 S86	V78-F82 HydrophobicContact CG1-CD2 3.71Å; V78-F82 HydrophobicContact CG1-CE2 3.52Å; V78-F82 VanDerWaalsContact O-CD2 3.28Å; V78-F82 WeakPolarHBondContact O-CD2 3.23Å; V78-F82 PolarHBondContact O-N 3.39Å; D79-F82 WeakPolarHBondContact O-CB 3.28Å; D79-F82 PolarHBondContact O-N 3.32Å; D79-F82 VanDerWaalsContact O-N 3.16Å; Q80-F82 VanDerWaalsContact C-N 3.31Å; Q80-F82 PolarHBondContact O-N 2.94Å; F82-D84 VanDerWaalsContact C-N 3.3Å; F82-D84 PolarHBondContact O-N 3.42Å; F82-A85 PolarHBondContact O-N 3.4Å; F82-S86 WeakPolarHBondContact O-CB 3.44Å; F82-S86 PolarHBondContact O-N 3.47Å; F82-S86 PolarHBondContact O-OG 3.06Å
83	D	98.6	Very high	98.2	Very high	90 Å²	90	83.8 Å²	83.8	48%	0.481	47%	0.469	S	S	.	.	H	α-helix	trans	-59.6	-42.3	177.4	-77.9	-16.6	0	0	0	111.9	D79 Q80 R87	D79-D83 PolarHBondContact O-N 3.45Å; Q80-D83 PolarHBondContact O-N 3.16Å; D83-R87 VanDerWaalsContact O-CB 3.23Å; D83-R87 WeakPolarHBondContact O-CB 3.38Å; D83-R87 PolarHBondContact O-N 2.69Å
84	D	98.6	Very high	98.1	Very high	71 Å²	71	83 Å²	83	38%	0.38	46%	0.464	S	S	.	.	H	α-helix	trans	-67.1	-42.7	177.9	-71.6	-24	0	0	0	111.9	Q80 F82 R87 A88	Q80-D84 VanDerWaalsContact NE2-CG 3.33Å; Q80-D84 PolarHBondContact NE2-OD1 3.44Å; Q80-D84 PolarHBondContact NE2-OD2 2.94Å; Q80-D84 VanDerWaalsContact NE2-OD2 3.14Å; Q80-D84 WeakPolarHBondContact O-CB 3.45Å; Q80-D84 VanDerWaalsContact O-CG 3.27Å; Q80-D84 PolarHBondContact O-N 2.98Å; F82-D84 VanDerWaalsContact C-N 3.3Å; F82-D84 PolarHBondContact O-N 3.42Å; D84-R87 PolarHBondContact O-N 2.98Å; D84-A88 VanDerWaalsContact O-CB 3.31Å; D84-A88 WeakPolarHBondContact O-CB 3.37Å; D84-A88 PolarHBondContact O-N 3.12Å
85	A	98.7	Very high	98.1	Very high	54 Å²	54	85 Å²	85	45%	0.446	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-46.6	176.2	0	0	0	0	0	111.6	L81 F82 R87 A88 V89	L81-A85 VanDerWaalsContact O-CB 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.43Å; L81-A85 PolarHBondContact O-N 3.09Å; F82-A85 PolarHBondContact O-N 3.4Å; A85-R87 VanDerWaalsContact C-N 3.34Å; A85-R87 PolarHBondContact O-N 3.38Å; A85-A88 PolarHBondContact O-N 2.67Å; A85-V89 WeakPolarHBondContact O-CG2 3.46Å; A85-V89 PolarHBondContact O-N 3.13Å
86	S	98.3	Very high	97.9	Very high	69 Å²	69	83.9 Å²	83.9	48%	0.483	47%	0.47	S	S	.	.	H	α-helix	trans	-59.1	-45.6	176.3	-70.3	0	0	0	0	111.3	F82 A88 V89 T90	F82-S86 WeakPolarHBondContact O-CB 3.44Å; F82-S86 PolarHBondContact O-N 3.47Å; F82-S86 PolarHBondContact O-OG 3.06Å; S86-A88 PolarHBondContact O-N 2.9Å; S86-V89 PolarHBondContact O-N 3.03Å; S86-T90 PolarHBondContact O-N 2.86Å; S86-T90 PolarHBondContact O-OG1 3.36Å; S86-T90 VanDerWaalsContact O-OG1 3.12Å
87	R	98.6	Very high	97.8	Very high	142 Å²	142	84.1 Å²	84.1	54%	0.536	46%	0.46	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176	-168.6	-171	-44.3	-75.9	-7.6	112	D83 D84 A85 T90 N91	D83-R87 VanDerWaalsContact O-CB 3.23Å; D83-R87 WeakPolarHBondContact O-CB 3.38Å; D83-R87 PolarHBondContact O-N 2.69Å; D84-R87 PolarHBondContact O-N 2.98Å; A85-R87 VanDerWaalsContact C-N 3.34Å; A85-R87 PolarHBondContact O-N 3.38Å; R87-T90 PolarHBondContact O-N 3.31Å; R87-N91 WeakPolarHBondContact O-CB 3.45Å; R87-N91 PolarHBondContact O-N 3.29Å; R87-N91 PolarHBondContact O-ND2 3.43Å
88	A	98.6	Very high	97.7	Very high	49 Å²	49	82.8 Å²	82.8	41%	0.405	46%	0.457	S	S	.	.	H	α-helix	trans	-62.6	-42.2	177.5	0	0	0	0	0	111.6	D84 A85 S86 N91 C92	D84-A88 VanDerWaalsContact O-CB 3.31Å; D84-A88 WeakPolarHBondContact O-CB 3.37Å; D84-A88 PolarHBondContact O-N 3.12Å; A85-A88 PolarHBondContact O-N 2.67Å; S86-A88 PolarHBondContact O-N 2.9Å; A88-N91 PolarHBondContact O-N 2.93Å; A88-C92 WeakPolarHBondContact O-CB 3.42Å; A88-C92 PolarHBondContact O-N 3.37Å; A88-C92 PolarHBondContact O-SG 3.39Å
89	V	97.4	Very high	97.7	Very high	98 Å²	98	85.5 Å²	85.5	59%	0.594	46%	0.464	S	S	*	.	H	α-helix	trans	-61.2	-48.1	175.4	170.6	0	0	0	0	110.8	A85 S86 N91 C92 E93	A85-V89 WeakPolarHBondContact O-CG2 3.46Å; A85-V89 PolarHBondContact O-N 3.13Å; S86-V89 PolarHBondContact O-N 3.03Å; V89-N91 VanDerWaalsContact C-N 3.29Å; V89-N91 PolarHBondContact O-N 3.12Å; V89-C92 PolarHBondContact O-N 3.21Å; V89-E93 WeakPolarHBondContact O-CB 3.35Å; V89-E93 PolarHBondContact O-N 3.35Å
90	T	96.6	Very high	97.6	Very high	84 Å²	84	85.7 Å²	85.7	52%	0.515	46%	0.458	S	S	.	.	H	α-helix	trans	-60	-39.1	176.5	-56.6	0	0	0	0	112.3	S86 R87 E93 S94	S86-T90 PolarHBondContact O-N 2.86Å; S86-T90 PolarHBondContact O-OG1 3.36Å; S86-T90 VanDerWaalsContact O-OG1 3.12Å; R87-T90 PolarHBondContact O-N 3.31Å; T90-E93 PolarHBondContact O-N 3.04Å; T90-S94 PolarHBondContact O-N 3.31Å
91	N	98	Very high	97.4	Very high	87 Å²	87	85 Å²	85	47%	0.465	46%	0.464	S	S	.	.	H	α-helix	trans	-67.1	-43.8	176.5	-70.4	-17.8	0	0	0	112	R87 A88 V89 E93 S94 L95	R87-N91 WeakPolarHBondContact O-CB 3.45Å; R87-N91 PolarHBondContact O-N 3.29Å; R87-N91 PolarHBondContact O-ND2 3.43Å; A88-N91 PolarHBondContact O-N 2.93Å; V89-N91 VanDerWaalsContact C-N 3.29Å; V89-N91 PolarHBondContact O-N 3.12Å; N91-E93 VanDerWaalsContact C-N 3.29Å; N91-E93 PolarHBondContact O-N 3.02Å; N91-S94 PolarHBondContact O-N 3.48Å; N91-S94 PolarHBondContact O-OG 2.88Å; N91-S94 VanDerWaalsContact O-OG 3.13Å; N91-L95 WeakPolarHBondContact O-CD1 3.27Å; N91-L95 WeakPolarHBondContact O-CG 3.36Å; N91-L95 PolarHBondContact O-N 3.29Å
92	C	97.3	Very high	97.3	Very high	76 Å²	76	88.9 Å²	88.9	51%	0.514	48%	0.477	S	S	.	.	H	α-helix	trans	-59.8	-42.5	174.8	-73.7	0	0	0	0	111.3	A88 V89 L95 V96	A88-C92 WeakPolarHBondContact O-CB 3.42Å; A88-C92 PolarHBondContact O-N 3.37Å; A88-C92 PolarHBondContact O-SG 3.39Å; V89-C92 PolarHBondContact O-N 3.21Å; C92-L95 WeakPolarHBondContact O-CB 3.45Å; C92-L95 PolarHBondContact O-N 2.92Å; C92-V96 WeakPolarHBondContact O-CG2 3.46Å; C92-V96 PolarHBondContact O-N 3.23Å; C92-V96 VanDerWaalsContact O-N 3.08Å
93	E	95	Very high	97.2	Very high	57 Å²	57	87.5 Å²	87.5	27%	0.266	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-44.7	176.8	-169.7	-166.4	152.5	0	0	111.9	V89 T90 N91 L95 V96 K97 Y107	V89-E93 WeakPolarHBondContact O-CB 3.35Å; V89-E93 PolarHBondContact O-N 3.35Å; T90-E93 PolarHBondContact O-N 3.04Å; N91-E93 VanDerWaalsContact C-N 3.29Å; N91-E93 PolarHBondContact O-N 3.02Å; E93-L95 PolarHBondContact O-N 2.89Å; E93-V96 PolarHBondContact O-N 3.23Å; E93-K97 HydrophobicContact CG-CD 4.37Å; E93-K97 WeakPolarHBondContact O-CG 3.31Å; E93-K97 PolarHBondContact O-N 3.27Å; E93-K97 VanDerWaalsContact OE1-CE 3.25Å; E93-K97 WeakPolarHBondContact OE1-CE 3.33Å; E93-K97 IonicContact OE1-NZ 2.92Å; E93-K97 PolarHBondContact OE1-NZ 3.05Å; E93-Y107 HydrophobicContact CG-CE1 4.43Å
94	S	96.6	Very high	97.1	Very high	54 Å²	54	86.6 Å²	86.6	38%	0.378	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-41	178	89.1	0	0	0	0	112	T90 N91 V96 K97 D98	T90-S94 PolarHBondContact O-N 3.31Å; N91-S94 PolarHBondContact O-N 3.48Å; N91-S94 PolarHBondContact O-OG 2.88Å; N91-S94 VanDerWaalsContact O-OG 3.13Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.17Å; S94-K97 PolarHBondContact O-N 3.07Å; S94-D98 WeakPolarHBondContact O-CB 3.42Å; S94-D98 PolarHBondContact O-N 3.35Å
95	L	97.8	Very high	96.9	Very high	115 Å²	115	87.9 Å²	87.9	60%	0.602	49%	0.493	S	S	*	.	H	α-helix	trans	-58.5	-40.6	175.1	-74.6	158.6	0	0	0	111.7	N91 C92 E93 F99	N91-L95 WeakPolarHBondContact O-CD1 3.27Å; N91-L95 WeakPolarHBondContact O-CG 3.36Å; N91-L95 PolarHBondContact O-N 3.29Å; C92-L95 WeakPolarHBondContact O-CB 3.45Å; C92-L95 PolarHBondContact O-N 2.92Å; E93-L95 PolarHBondContact O-N 2.89Å; L95-F99 PolarHBondContact O-N 3.3Å; L95-F99 VanDerWaalsContact O-N 3.08Å
96	V	96.3	Very high	96.5	Very high	61 Å²	61	93.7 Å²	93.7	37%	0.37	51%	0.511	S	S	.	.	H	α-helix	trans	-70	-44.8	176.7	179.7	0	0	0	0	110.8	C92 E93 S94 D98 F99 Y100 Y107	C92-V96 WeakPolarHBondContact O-CG2 3.46Å; C92-V96 PolarHBondContact O-N 3.23Å; C92-V96 VanDerWaalsContact O-N 3.08Å; E93-V96 PolarHBondContact O-N 3.23Å; S94-V96 VanDerWaalsContact C-N 3.28Å; S94-V96 PolarHBondContact O-N 3.17Å; V96-D98 VanDerWaalsContact C-N 3.28Å; V96-D98 PolarHBondContact O-N 3.24Å; V96-F99 PolarHBondContact O-N 3.28Å; V96-F99 VanDerWaalsContact O-N 3.13Å; V96-Y100 HydrophobicContact CG1-CD2 3.79Å; V96-Y100 HydrophobicContact CG1-CE2 3.7Å; V96-Y100 VanDerWaalsContact O-CD2 3.32Å; V96-Y100 WeakPolarHBondContact O-CD2 3.25Å; V96-Y100 PolarHBondContact O-N 2.84Å; V96-Y107 HydrophobicContact CB-CE2 4.14Å; V96-Y107 HydrophobicContact CG1-CD2 3.77Å; V96-Y107 HydrophobicContact CG1-CE2 3.46Å; V96-Y107 VanDerWaalsContact CG1-CE2 3.46Å
97	K	95.6	Very high	96.2	Very high	64 Å²	64	93.8 Å²	93.8	28%	0.278	50%	0.502	S	S	.	.	H	α-helix	trans	-55.5	-43.9	175	-77.8	175.9	171.4	176.4	0	111.7	E93 S94 Y100 S101 Y107 D109	E93-K97 HydrophobicContact CG-CD 4.37Å; E93-K97 WeakPolarHBondContact O-CG 3.31Å; E93-K97 PolarHBondContact O-N 3.27Å; E93-K97 VanDerWaalsContact OE1-CE 3.25Å; E93-K97 WeakPolarHBondContact OE1-CE 3.33Å; E93-K97 IonicContact OE1-NZ 2.92Å; E93-K97 PolarHBondContact OE1-NZ 3.05Å; S94-K97 PolarHBondContact O-N 3.07Å; K97-Y100 PolarHBondContact O-N 2.92Å; K97-S101 WeakPolarHBondContact O-CB 3.32Å; K97-S101 PolarHBondContact O-N 3.19Å; K97-S101 PolarHBondContact O-OG 3.36Å; K97-Y107 HydrophobicContact CD-CD1 3.99Å; K97-Y107 HydrophobicContact CD-CE1 4.17Å; K97-Y107 HydrophobicContact CG-CD1 3.44Å; K97-Y107 VanDerWaalsContact CG-CD1 3.44Å; K97-Y107 HydrophobicContact CG-CD2 4.11Å; K97-Y107 HydrophobicContact CG-CE1 3.83Å; K97-Y107 HydrophobicContact CG-CE2 4.47Å; K97-Y107 HydrophobicContact CG-CG 3.56Å; K97-D109 IonicContact NZ-OD1 2.77Å; K97-D109 IonicContact NZ-OD2 2.63Å; K97-D109 PolarHBondContact NZ-OD2 3.48Å
98	D	97	Very high	95.7	Very high	89 Å²	89	92.5 Å²	92.5	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-41.1	177.1	-77.6	-6.2	0	0	0	112.2	S94 V96 S101 K102	S94-D98 WeakPolarHBondContact O-CB 3.42Å; S94-D98 PolarHBondContact O-N 3.35Å; V96-D98 VanDerWaalsContact C-N 3.28Å; V96-D98 PolarHBondContact O-N 3.24Å; D98-S101 PolarHBondContact O-N 3.32Å; D98-K102 WeakPolarHBondContact O-CG 3.34Å; D98-K102 PolarHBondContact O-N 3.28Å
99	F	97.2	Very high	94.9	Very high	123 Å²	123	93.9 Å²	93.9	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-64.7	-45.7	178.2	-177.2	-102.6	0	0	0	112.1	L95 V96 S101 K102 L103	L95-F99 PolarHBondContact O-N 3.3Å; L95-F99 VanDerWaalsContact O-N 3.08Å; V96-F99 PolarHBondContact O-N 3.28Å; V96-F99 VanDerWaalsContact O-N 3.13Å; F99-S101 VanDerWaalsContact C-N 3.34Å; F99-S101 PolarHBondContact O-N 2.8Å; F99-K102 PolarHBondContact O-N 3.01Å; F99-L103 HydrophobicContact CD1-CD1 3.99Å; F99-L103 HydrophobicContact CE1-CD1 3.38Å; F99-L103 HydrophobicContact CE1-CG 4.41Å; F99-L103 HydrophobicContact CE2-CD1 4.41Å; F99-L103 HydrophobicContact CZ-CD1 3.64Å; F99-L103 HydrophobicContact CZ-CG 4.41Å; F99-L103 PolarHBondContact O-N 3.36Å
100	Y	96.6	Very high	93.5	Very high	94 Å²	94	95.3 Å²	95.3	37%	0.369	51%	0.512	S	S	.	.	H	α-helix	trans	-59.9	-45.7	175.5	-88.2	-111.3	0	0	0	111.3	V96 K97 K102 L103 G104 L105 Y107	V96-Y100 HydrophobicContact CG1-CD2 3.79Å; V96-Y100 HydrophobicContact CG1-CE2 3.7Å; V96-Y100 VanDerWaalsContact O-CD2 3.32Å; V96-Y100 WeakPolarHBondContact O-CD2 3.25Å; V96-Y100 PolarHBondContact O-N 2.84Å; K97-Y100 PolarHBondContact O-N 2.92Å; Y100-K102 VanDerWaalsContact C-N 3.31Å; Y100-K102 PolarHBondContact O-N 3.07Å; Y100-L103 CarbonylContact O-C 3.41Å; Y100-L103 PolarHBondContact O-N 3.45Å; Y100-G104 PolarHBondContact O-N 3.02Å; Y100-L105 CarbonylContact C-O 3.33Å; Y100-L105 HydrophobicContact CD1-CB 3.71Å; Y100-L105 HydrophobicContact CD1-CD1 4.29Å; Y100-L105 HydrophobicContact CE1-CB 4.5Å; Y100-L105 HydrophobicContact CE1-CD1 4.46Å; Y100-L105 HydrophobicContact CG-CB 4.36Å; Y100-L105 PolarHBondContact O-N 3.47Å; Y100-Y107 HydrophobicContact CD2-CD2 4.21Å; Y100-Y107 HydrophobicContact CE2-CD2 4.45Å; Y100-Y107 HydrophobicContact CG-CD2 4.35Å
101	S	96.1	Very high	91.5	Very high	83 Å²	83	97 Å²	97	58%	0.58	53%	0.527	S	S	*	.	H	α-helix	trans	-59.1	-41.5	178	-58.7	0	0	0	0	112	K97 D98 F99 L103 G104	K97-S101 WeakPolarHBondContact O-CB 3.32Å; K97-S101 PolarHBondContact O-N 3.19Å; K97-S101 PolarHBondContact O-OG 3.36Å; D98-S101 PolarHBondContact O-N 3.32Å; F99-S101 VanDerWaalsContact C-N 3.34Å; F99-S101 PolarHBondContact O-N 2.8Å; S101-L103 VanDerWaalsContact C-N 3.26Å; S101-L103 PolarHBondContact O-N 3.18Å; S101-G104 PolarHBondContact O-N 2.63Å
102	K	96.8	Very high	89	Confident	173 Å²	173	95.3 Å²	95.3	75%	0.752	52%	0.522	S	S	*	.	H	α-helix	trans	-64.4	-28.7	176.1	-75.2	171	-175.2	170.7	0	113.5	D98 F99 Y100 G104	D98-K102 WeakPolarHBondContact O-CG 3.34Å; D98-K102 PolarHBondContact O-N 3.28Å; F99-K102 PolarHBondContact O-N 3.01Å; Y100-K102 VanDerWaalsContact C-N 3.31Å; Y100-K102 PolarHBondContact O-N 3.07Å; K102-G104 VanDerWaalsContact C-N 3.31Å
103	L	96.6	Very high	86.8	Confident	104 Å²	104	101.7 Å²	101.7	55%	0.545	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.2	175.1	-67.9	176.2	0	0	0	113.2	F99 Y100 S101 L105	F99-L103 HydrophobicContact CD1-CD1 3.99Å; F99-L103 HydrophobicContact CE1-CD1 3.38Å; F99-L103 HydrophobicContact CE1-CG 4.41Å; F99-L103 HydrophobicContact CE2-CD1 4.41Å; F99-L103 HydrophobicContact CZ-CD1 3.64Å; F99-L103 HydrophobicContact CZ-CG 4.41Å; F99-L103 PolarHBondContact O-N 3.36Å; Y100-L103 CarbonylContact O-C 3.41Å; Y100-L103 PolarHBondContact O-N 3.45Å; S101-L103 VanDerWaalsContact C-N 3.26Å; S101-L103 PolarHBondContact O-N 3.18Å; L103-L105 HydrophobicContact CB-CD1 4.12Å; L103-L105 HydrophobicContact CB-CG 4.12Å; L103-L105 HydrophobicContact CD1-CD1 4.35Å; L103-L105 PolarHBondContact O-N 3.13Å
104	G	95.8	Very high	84.9	Confident	72 Å²	72	105 Å²	105	74%	0.742	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.3	19.7	-174.7	0	0	0	0	0	113.6	Y100 S101 K102	Y100-G104 PolarHBondContact O-N 3.02Å; S101-G104 PolarHBondContact O-N 2.63Å; K102-G104 VanDerWaalsContact C-N 3.31Å
105	L	94.4	Very high	82.7	Confident	97 Å²	97	108.5 Å²	108.5	51%	0.508	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-98.7	152	177.1	-60.8	174.6	0	0	0	110.4	Y100 L103	Y100-L105 CarbonylContact C-O 3.33Å; Y100-L105 HydrophobicContact CD1-CB 3.71Å; Y100-L105 HydrophobicContact CD1-CD1 4.29Å; Y100-L105 HydrophobicContact CE1-CB 4.5Å; Y100-L105 HydrophobicContact CE1-CD1 4.46Å; Y100-L105 HydrophobicContact CG-CB 4.36Å; Y100-L105 PolarHBondContact O-N 3.47Å; L103-L105 HydrophobicContact CB-CD1 4.12Å; L103-L105 HydrophobicContact CB-CG 4.12Å; L103-L105 HydrophobicContact CD1-CD1 4.35Å; L103-L105 PolarHBondContact O-N 3.13Å
106	Q	90.4	Very high	80.6	Confident	176 Å²	176	106.4 Å²	106.4	82%	0.822	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-93.5	124.8	173.7	-171.5	176.3	19	0	0	110.1
107	Y	90.9	Very high	78.4	Confident	71 Å²	71	109.6 Å²	109.6	28%	0.278	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-76.7	134.5	170.5	-177.1	-88.8	0	0	0	110.1	E93 V96 K97 Y100 D109	E93-Y107 HydrophobicContact CG-CE1 4.43Å; V96-Y107 HydrophobicContact CB-CE2 4.14Å; V96-Y107 HydrophobicContact CG1-CD2 3.77Å; V96-Y107 HydrophobicContact CG1-CE2 3.46Å; V96-Y107 VanDerWaalsContact CG1-CE2 3.46Å; K97-Y107 HydrophobicContact CD-CD1 3.99Å; K97-Y107 HydrophobicContact CD-CE1 4.17Å; K97-Y107 HydrophobicContact CG-CD1 3.44Å; K97-Y107 VanDerWaalsContact CG-CD1 3.44Å; K97-Y107 HydrophobicContact CG-CD2 4.11Å; K97-Y107 HydrophobicContact CG-CE1 3.83Å; K97-Y107 HydrophobicContact CG-CE2 4.47Å; K97-Y107 HydrophobicContact CG-CG 3.56Å; Y100-Y107 HydrophobicContact CD2-CD2 4.21Å; Y100-Y107 HydrophobicContact CE2-CD2 4.45Å; Y100-Y107 HydrophobicContact CG-CD2 4.35Å; Y107-D109 VanDerWaalsContact CE1-OD1 3.31Å; Y107-D109 WeakPolarHBondContact CE1-OD1 3.48Å
108	R	88.7	Confident	76.5	Confident	115 Å²	115	116.4 Å²	116.4	43%	0.434	62%	0.618	S	S	.	*			trans	-122.8	118.2	-176.9	-125.3	-84.9	172.9	174	-5.4	108.6	S110 S112 E115	R108-S110 PolarHBondContact O-N 3.08Å; R108-S112 PolarHBondContact NH1-OG 2.9Å; R108-S112 PolarHBondContact NH2-OG 3.35Å; R108-E115 IonicContact CZ-OE1 3.83Å; R108-E115 IonicContact NH2-OE1 2.78Å; R108-E115 PolarHBondContact NH2-OE1 3.46Å
109	D	82.2	Confident	74.1	Confident	78 Å²	78	118.3 Å²	118.3	42%	0.417	64%	0.635	S	S	.	*			trans	-69.3	110	172	-70.3	-63	0	0	0	108	K97 Y107 S111	K97-D109 IonicContact NZ-OD1 2.77Å; K97-D109 IonicContact NZ-OD2 2.63Å; K97-D109 PolarHBondContact NZ-OD2 3.48Å; Y107-D109 VanDerWaalsContact CE1-OD1 3.31Å; Y107-D109 WeakPolarHBondContact CE1-OD1 3.48Å; D109-S111 PolarHBondContact O-N 3Å
110	S	66.6	Low	71.8	Confident	129 Å²	129	118 Å²	118	90%	0.902	64%	0.644	S	S	*	*	S	Bend	trans	-71.2	32.7	-174.5	-62.9	0	0	0	0	114.4	R108	R108-S110 PolarHBondContact O-N 3.08Å
111	S	55.3	Low	69.9	Low	119 Å²	119	122.2 Å²	122.2	83%	0.832	67%	0.667	S	S	*	*			trans	-124.1	49.3	174.1	-163.5	0	0	0	0	110.5	D109	D109-S111 PolarHBondContact O-N 3Å
112	S	45.6	Very low	68.4	Low	52 Å²	52	125.1 Å²	125.1	36%	0.364	67%	0.674	S	S	.	*			trans	-123.9	107.1	159.4	112.4	0	0	0	0	107.9	R108 D114	R108-S112 PolarHBondContact NH1-OG 2.9Å; R108-S112 PolarHBondContact NH2-OG 3.35Å; S112-D114 PolarHBondContact O-N 3.21Å; S112-D114 PolarHBondContact OG-O 3.46Å
113	E	50.7	Low	66.5	Low	210 Å²	210	123.6 Å²	123.6	98%	0.981	67%	0.673	S	S	*	*	S	Bend	trans	-73.5	35.5	167.3	-59.2	-166.7	111.1	0	0	111.2
114	D	55.7	Low	64.3	Low	127 Å²	127	127.3 Å²	127.3	68%	0.679	69%	0.687	S	S	*	*			trans	-150	84.9	174.6	-157.1	16.1	0	0	0	108.3	S112	S112-D114 PolarHBondContact O-N 3.21Å; S112-D114 PolarHBondContact OG-O 3.46Å
115	E	50.9	Low	62.6	Low	127 Å²	127	130.4 Å²	130.4	59%	0.593	69%	0.686	S	S	*	*			trans	-133.9	90.1	147.8	-75.5	-68	145.8	0	0	105.2	R108	R108-E115 IonicContact CZ-OE1 3.83Å; R108-E115 IonicContact NH2-OE1 2.78Å; R108-E115 PolarHBondContact NH2-OE1 3.46Å
116	S	52.5	Low	60.8	Low	70 Å²	70	131.3 Å²	131.3	49%	0.49	70%	0.697	S	S	.	*			trans	16.9	114.3	138.3	64.4	0	0	0	0	115.9	R118	S116-R118 PolarHBondContact O-N 3.08Å
117	S	51.2	Low	59.2	Low	128 Å²	128	130.6 Å²	130.6	90%	0.895	70%	0.699	S	S	*	*			trans	3.3	77.7	142.8	-47.5	0	0	0	0	116
118	R	55.4	Low	57.7	Low	208 Å²	208	135.4 Å²	135.4	79%	0.785	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-101.1	124.5	151.1	-68.2	-169.9	-175.7	-167	3.4	106	S116 T120	S116-R118 PolarHBondContact O-N 3.08Å; R118-T120 PolarHBondContact O-N 3.45Å
119	P	45.8	Very low	56.1	Low	128 Å²	128	136.4 Å²	136.4	83%	0.831	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-63.5	116	-175.7	25	-30.5	0	0	0	108.5	E121	P119-E121 PolarHBondContact O-N 3.49Å
120	T	50.2	Low	55.2	Low	117 Å²	117	139.6 Å²	139.6	72%	0.718	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-57	119.2	158.9	-43.1	0	0	0	0	106.2	R118 I122	R118-T120 PolarHBondContact O-N 3.45Å; T120-I122 VanDerWaalsContact C-N 3.33Å; T120-I122 PolarHBondContact O-N 3.46Å
121	E	56	Low	54.9	Low	182 Å²	182	140.9 Å²	140.9	85%	0.85	75%	0.752	S	S	*	*			trans	-65.2	95.3	174.1	-170.8	174.1	-168.7	0	0	107.9	P119	P119-E121 PolarHBondContact O-N 3.49Å
122	I	65.4	Low	55.2	Low	145 Å²	145	141.6 Å²	141.6	74%	0.744	75%	0.751	S	S	*	*			trans	-86.8	115.8	174.4	-62.4	163.1	0	0	0	106.1	T120 E124	T120-I122 VanDerWaalsContact C-N 3.33Å; T120-I122 PolarHBondContact O-N 3.46Å; I122-E124 PolarHBondContact O-N 3.09Å
123	I	55.8	Low	55.3	Low	141 Å²	141	146.5 Å²	146.5	72%	0.723	77%	0.772	S	S	*	*			trans	-81.1	105.8	171.2	-57.6	172.7	0	0	0	106.7	I125	I123-I125 PolarHBondContact O-N 2.87Å
124	E	50	Low	55.5	Low	181 Å²	181	141.6 Å²	141.6	85%	0.846	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-64.9	117	169	-100.9	175.3	173.6	0	0	109.2	I122	I122-E124 PolarHBondContact O-N 3.09Å
125	I	61.2	Low	55.1	Low	138 Å²	138	143 Å²	143	71%	0.708	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-89.3	122.6	164.5	-56.5	175	0	0	0	105.3	I123 D127	I123-I125 PolarHBondContact O-N 2.87Å; I125-D127 PolarHBondContact O-N 2.96Å
126	P	57	Low	54.8	Low	115 Å²	115	143.8 Å²	143.8	75%	0.747	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-64.6	127.4	179.3	-18	30.1	0	0	0	111.1	E128	P126-E128 PolarHBondContact O-N 2.87Å
127	D	56.6	Low	54.5	Low	161 Å²	161	145.9 Å²	145.9	86%	0.861	79%	0.79	S	S	*	*			trans	-80.1	99.8	172.8	-27.5	-36.6	0	0	0	108.3	I125	I125-D127 PolarHBondContact O-N 2.96Å
128	E	59.1	Low	53.9	Low	173 Å²	173	143.1 Å²	143.1	81%	0.808	78%	0.782	S	S	*	*			trans	-102.9	126.2	160.9	-77.5	-152.4	114	0	0	110	P126	P126-E128 PolarHBondContact O-N 2.87Å
129	D	55.9	Low	53.4	Low	136 Å²	136	140.9 Å²	140.9	73%	0.727	79%	0.785	S	S	*	*			trans	94.9	102.9	155	-52.7	-30.3	0	0	0	120.4
130	D	62.6	Low	53.3	Low	145 Å²	145	139.3 Å²	139.3	78%	0.775	78%	0.783	S	S	*	*				33.4	116	123.9	-85.7	-38.3	0	0	0	120.1
131	D	60.2	Low	53.1	Low	155 Å²	155	137.3 Å²	137.3	83%	0.829	79%	0.786	S	S	*	*			trans	-169.4	94	130.2	-90.7	-32.7	0	0	0	111.2
132	V	61.1	Low	52.9	Low	134 Å²	134	134.1 Å²	134.1	81%	0.812	78%	0.784	S	S	*	*			trans	-91.3	100.2	164.9	173.9	0	0	0	0	108.7
133	L	48.8	Very low	52.6	Low	155 Å²	155	136.8 Å²	136.8	81%	0.812	78%	0.784	S	S	*	*			trans	-94.2	95.4	165	-69.2	178.9	0	0	0	110.4
134	S	54.4	Low	52.5	Low	107 Å²	107	133.6 Å²	133.6	75%	0.748	77%	0.772	S	S	*	*			trans	-72.6	120.8	162.2	-167.7	0	0	0	0	109.4
135	I	47.2	Very low	52.8	Low	156 Å²	156	130.1 Å²	130.1	80%	0.8	77%	0.765	S	S	*	*			trans	-117.1	100.3	164.5	-70.8	173.8	0	0	0	107.5
136	D	44.7	Very low	52.7	Low	145 Å²	145	131.5 Å²	131.5	78%	0.775	77%	0.766	S	S	*	*			trans	-92	130	157.9	-176.9	42.3	0	0	0	108.2
137	S	45.2	Very low	53.1	Low	113 Å²	113	129.7 Å²	129.7	79%	0.79	75%	0.75	S	S	*	*			trans	-167.6	105.8	164.2	-88.3	0	0	0	0	112.2
138	G	39.5	Very low	53.9	Low	71 Å²	71	127.1 Å²	127.1	73%	0.732	73%	0.733	S	S	*	*				108.3	82	118.1	0	0	0	0	0	119.4
139	D	45.5	Very low	54.6	Low	160 Å²	160	126.4 Å²	126.4	86%	0.856	73%	0.727	S	S	*	*			trans	24.8	120.6	132	-168	38.9	0	0	0	121.7
140	A	43.5	Very low	55.7	Low	95 Å²	95	124.7 Å²	124.7	79%	0.785	72%	0.717	S	S	*	*				171.8	120.8	120.4	0	0	0	0	0	111.6
141	G	45.2	Very low	56.8	Low	75 Å²	75	123.5 Å²	123.5	77%	0.773	70%	0.702	S	S	*	*			trans	111.2	79.4	159.7	0	0	0	0	0	116	R143	G141-R143 PolarHBondContact O-N 3.1Å
142	S	52.5	Low	58	Low	116 Å²	116	122.2 Å²	122.2	81%	0.811	69%	0.691	S	S	*	*			trans	-51	107.4	166.6	60.7	0	0	0	0	112.3
143	R	57.7	Low	59.1	Low	200 Å²	200	118.6 Å²	118.6	76%	0.755	68%	0.675	S	S	*	*			trans	-173.6	104.5	143.7	-99.1	157.8	-167	-169.5	7	106.9	G141	G141-R143 PolarHBondContact O-N 3.1Å
144	T	54	Low	61	Low	75 Å²	75	115.2 Å²	115.2	46%	0.46	66%	0.656	S	S	.	*			trans	-58.9	146.7	-178.6	65.4	0	0	0	0	110.1	K146 D147	T144-K146 PolarHBondContact O-N 3.41Å; T144-D147 PolarHBondContact O-N 3.48Å; T144-D147 PolarHBondContact OG1-OD2 3.33Å
145	P	57.4	Low	62.7	Low	108 Å²	108	112.9 Å²	112.9	70%	0.701	64%	0.644	S	S	*	*	H	α-helix	trans	-55.3	-19.3	174.3	-24.3	32.1	0	0	0	113.5	K149	P145-K149 PolarHBondContact O-N 2.77Å
146	K	58.8	Low	64.7	Low	167 Å²	167	108.4 Å²	108.4	73%	0.726	63%	0.629	S	S	*	*	H	α-helix	trans	-70	-39.5	177.4	-65.4	179.6	179.3	173.5	0	112	T144 Q148 K149 L150	T144-K146 PolarHBondContact O-N 3.41Å; K146-Q148 VanDerWaalsContact C-N 3.33Å; K146-Q148 PolarHBondContact O-N 2.85Å; K146-K149 PolarHBondContact O-N 3.37Å; K146-L150 VanDerWaalsContact O-CB 3.31Å; K146-L150 WeakPolarHBondContact O-CB 3.43Å; K146-L150 PolarHBondContact O-N 3.4Å
147	D	66	Low	66.8	Low	77 Å²	77	107.8 Å²	107.8	41%	0.412	63%	0.625	S	S	.	*	H	α-helix	trans	-68.6	-34.1	-180	-69.2	-32.5	0	0	0	112.3	T144 R151	T144-D147 PolarHBondContact O-N 3.48Å; T144-D147 PolarHBondContact OG1-OD2 3.33Å; D147-R151 WeakPolarHBondContact O-CB 3.47Å; D147-R151 PolarHBondContact O-N 3.47Å
148	Q	72.3	Confident	69	Low	106 Å²	106	109.9 Å²	109.9	50%	0.495	62%	0.616	S	S	.	*	H	α-helix	trans	-68.8	-46	175.7	-173.9	60.3	32.8	0	0	111	K146 L150 R151 E152	K146-Q148 VanDerWaalsContact C-N 3.33Å; K146-Q148 PolarHBondContact O-N 2.85Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 2.86Å; Q148-R151 PolarHBondContact O-N 2.92Å; Q148-E152 WeakPolarHBondContact O-CB 3.42Å; Q148-E152 PolarHBondContact O-N 3.2Å
149	K	73.6	Confident	71.5	Confident	158 Å²	158	113.2 Å²	113.2	69%	0.687	61%	0.61	S	S	*	*	H	α-helix	trans	-62.5	-39.6	174.5	-82.1	-173.9	174	-176.6	0	112.5	P145 K146 E152 A153	P145-K149 PolarHBondContact O-N 2.77Å; K146-K149 PolarHBondContact O-N 3.37Å; K149-E152 PolarHBondContact O-N 2.91Å; K149-A153 WeakPolarHBondContact O-CB 3.26Å; K149-A153 PolarHBondContact O-N 3.2Å
150	L	79.6	Confident	73.3	Confident	100 Å²	100	108.8 Å²	108.8	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-65.3	-43.5	177.8	-172.3	72.1	0	0	0	111.1	K146 Q148 E152 A153 M154	K146-L150 VanDerWaalsContact O-CB 3.31Å; K146-L150 WeakPolarHBondContact O-CB 3.43Å; K146-L150 PolarHBondContact O-N 3.4Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 2.86Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 2.78Å; L150-A153 PolarHBondContact O-N 3.05Å; L150-M154 HydrophobicContact CD2-CE 4.19Å; L150-M154 HydrophobicContact CG-CE 3.93Å; L150-M154 VanDerWaalsContact O-CB 3.28Å; L150-M154 WeakPolarHBondContact O-CB 3.19Å; L150-M154 VanDerWaalsContact O-CG 3.3Å; L150-M154 WeakPolarHBondContact O-CG 3.45Å; L150-M154 PolarHBondContact O-N 3.2Å
151	R	85	Confident	75.6	Confident	120 Å²	120	107.2 Å²	107.2	45%	0.453	58%	0.579	S	S	.	*	H	α-helix	trans	-62.9	-40.5	176.9	-167	-174.5	-58.5	130.5	6.6	112	D147 Q148 M154 A155	D147-R151 WeakPolarHBondContact O-CB 3.47Å; D147-R151 PolarHBondContact O-N 3.47Å; Q148-R151 PolarHBondContact O-N 2.92Å; R151-M154 PolarHBondContact O-N 3.5Å; R151-A155 WeakPolarHBondContact O-CB 3.27Å; R151-A155 PolarHBondContact O-N 3.31Å
152	E	84.9	Confident	77.8	Confident	128 Å²	128	109.4 Å²	109.4	60%	0.598	57%	0.569	S	S	*	*	H	α-helix	trans	-68.7	-43.1	178.3	-166.1	172.9	-174.9	0	0	111.8	Q148 K149 L150 M154 A155 A156	Q148-E152 WeakPolarHBondContact O-CB 3.42Å; Q148-E152 PolarHBondContact O-N 3.2Å; K149-E152 PolarHBondContact O-N 2.91Å; L150-E152 VanDerWaalsContact C-N 3.34Å; L150-E152 PolarHBondContact O-N 2.78Å; E152-M154 VanDerWaalsContact C-N 3.33Å; E152-M154 PolarHBondContact O-N 2.9Å; E152-A155 PolarHBondContact O-N 3.44Å; E152-A156 WeakPolarHBondContact O-CB 3.21Å; E152-A156 PolarHBondContact O-N 3.47Å
153	A	85.3	Confident	79.6	Confident	58 Å²	58	107.9 Å²	107.9	48%	0.479	55%	0.552	S	S	.	*	H	α-helix	trans	-61.4	-41.5	173	0	0	0	0	0	111.9	K149 L150 A155 A156 L157	K149-A153 WeakPolarHBondContact O-CB 3.26Å; K149-A153 PolarHBondContact O-N 3.2Å; L150-A153 PolarHBondContact O-N 3.05Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 2.9Å; A153-A156 PolarHBondContact O-N 3.26Å; A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 PolarHBondContact O-N 3.17Å
154	M	89.5	Confident	81.1	Confident	84 Å²	84	102.4 Å²	102.4	41%	0.414	54%	0.54	S	S	.	.	H	α-helix	trans	-66.9	-30.4	176	-81.4	-164	-67.8	0	0	113.4	L150 R151 E152 R158	L150-M154 HydrophobicContact CD2-CE 4.19Å; L150-M154 HydrophobicContact CG-CE 3.93Å; L150-M154 VanDerWaalsContact O-CB 3.28Å; L150-M154 WeakPolarHBondContact O-CB 3.19Å; L150-M154 VanDerWaalsContact O-CG 3.3Å; L150-M154 WeakPolarHBondContact O-CG 3.45Å; L150-M154 PolarHBondContact O-N 3.2Å; R151-M154 PolarHBondContact O-N 3.5Å; E152-M154 VanDerWaalsContact C-N 3.33Å; E152-M154 PolarHBondContact O-N 2.9Å; M154-R158 WeakPolarHBondContact O-CG 3.4Å; M154-R158 PolarHBondContact O-N 3.17Å; M154-R158 PolarHBondContact O-NH1 3.27Å
155	A	89.7	Confident	82.7	Confident	59 Å²	59	103.8 Å²	103.8	49%	0.488	54%	0.542	S	S	.	.	H	α-helix	trans	-75.3	-41.6	173.3	0	0	0	0	0	111.3	R151 E152 A153 R158 K159	R151-A155 WeakPolarHBondContact O-CB 3.27Å; R151-A155 PolarHBondContact O-N 3.31Å; E152-A155 PolarHBondContact O-N 3.44Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 2.9Å; A155-R158 PolarHBondContact O-N 2.93Å; A155-K159 WeakPolarHBondContact O-CB 3.3Å; A155-K159 PolarHBondContact O-N 2.65Å
156	A	89.7	Confident	84.3	Confident	61 Å²	61	105 Å²	105	50%	0.504	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-42.9	176.4	0	0	0	0	0	111.9	E152 A153 K159 S160	E152-A156 WeakPolarHBondContact O-CB 3.21Å; E152-A156 PolarHBondContact O-N 3.47Å; A153-A156 PolarHBondContact O-N 3.26Å; A156-K159 PolarHBondContact O-N 2.78Å; A156-S160 PolarHBondContact O-N 3.18Å
157	L	88.9	Confident	85.6	Confident	132 Å²	132	103.6 Å²	103.6	69%	0.691	53%	0.53	S	S	*	.	H	α-helix	trans	-64.3	-42.4	178.4	-165.6	71.2	0	0	0	111.9	A153 K159 S160 A161	A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 PolarHBondContact O-N 3.17Å; L157-K159 VanDerWaalsContact C-N 3.34Å; L157-K159 PolarHBondContact O-N 3.01Å; L157-S160 PolarHBondContact O-N 2.74Å; L157-A161 PolarHBondContact O-N 3.23Å
158	R	91.5	Very high	86.7	Confident	158 Å²	158	105.3 Å²	105.3	60%	0.596	54%	0.537	S	S	*	.	H	α-helix	trans	-63.2	-39.7	174.6	-74.9	-177.8	-179.3	87.4	-4	112.1	M154 A155 A161 Q162	M154-R158 WeakPolarHBondContact O-CG 3.4Å; M154-R158 PolarHBondContact O-N 3.17Å; M154-R158 PolarHBondContact O-NH1 3.27Å; A155-R158 PolarHBondContact O-N 2.93Å; R158-A161 PolarHBondContact O-N 3.15Å; R158-Q162 WeakPolarHBondContact O-CG 3.19Å; R158-Q162 PolarHBondContact O-N 2.95Å; R158-Q162 VanDerWaalsContact O-N 3.17Å
159	K	91.1	Very high	87.4	Confident	140 Å²	140	104.6 Å²	104.6	61%	0.609	54%	0.537	S	S	*	.	H	α-helix	trans	-65.7	-44.4	177.1	-172.1	171.3	179.2	174.8	0	111.7	A155 A156 L157 A161 Q162 D163	A155-K159 WeakPolarHBondContact O-CB 3.3Å; A155-K159 PolarHBondContact O-N 2.65Å; A156-K159 PolarHBondContact O-N 2.78Å; L157-K159 VanDerWaalsContact C-N 3.34Å; L157-K159 PolarHBondContact O-N 3.01Å; K159-A161 VanDerWaalsContact C-N 3.32Å; K159-A161 PolarHBondContact O-N 3.34Å; K159-Q162 PolarHBondContact O-N 3.46Å; K159-D163 PolarHBondContact O-N 3.4Å
160	S	84.1	Confident	87.8	Confident	67 Å²	67	99.7 Å²	99.7	47%	0.469	53%	0.526	S	S	.	.	H	α-helix	trans	-61.1	-39.6	175.6	-171.6	0	0	0	0	112.3	A156 L157 Q162 D163 V164	A156-S160 PolarHBondContact O-N 3.18Å; L157-S160 PolarHBondContact O-N 2.74Å; S160-Q162 VanDerWaalsContact C-N 3.34Å; S160-Q162 PolarHBondContact O-N 2.95Å; S160-D163 PolarHBondContact O-N 3.37Å; S160-V164 WeakPolarHBondContact O-CG2 3.44Å; S160-V164 PolarHBondContact O-N 3.05Å; S160-V164 VanDerWaalsContact O-N 3.07Å
161	A	90.5	Very high	87.9	Confident	62 Å²	62	97.6 Å²	97.6	51%	0.512	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-39	176.7	0	0	0	0	0	112.2	L157 R158 K159 Q165	L157-A161 PolarHBondContact O-N 3.23Å; R158-A161 PolarHBondContact O-N 3.15Å; K159-A161 VanDerWaalsContact C-N 3.32Å; K159-A161 PolarHBondContact O-N 3.34Å; A161-Q165 PolarHBondContact O-N 3.49Å; A161-Q165 VanDerWaalsContact O-N 3.15Å
162	Q	92.9	Very high	87.4	Confident	121 Å²	121	97.7 Å²	97.7	57%	0.565	53%	0.526	S	S	*	.	H	α-helix	trans	-69	-37	175.5	-69.6	179.8	18	0	0	112.7	R158 K159 S160 Q165 K166	R158-Q162 WeakPolarHBondContact O-CG 3.19Å; R158-Q162 PolarHBondContact O-N 2.95Å; R158-Q162 VanDerWaalsContact O-N 3.17Å; K159-Q162 PolarHBondContact O-N 3.46Å; S160-Q162 VanDerWaalsContact C-N 3.34Å; S160-Q162 PolarHBondContact O-N 2.95Å; Q162-Q165 PolarHBondContact O-N 3.07Å; Q162-K166 WeakPolarHBondContact O-CG 3.38Å; Q162-K166 PolarHBondContact O-N 3.44Å
163	D	88.6	Confident	86.5	Confident	84 Å²	84	100.2 Å²	100.2	45%	0.449	54%	0.535	S	S	.	.	H	α-helix	trans	-68.6	-37.8	179	-73.8	-14.3	0	0	0	111.7	K159 S160 K166 F167	K159-D163 PolarHBondContact O-N 3.4Å; S160-D163 PolarHBondContact O-N 3.37Å; D163-K166 PolarHBondContact O-N 2.95Å; D163-F167 WeakPolarHBondContact O-CB 3.43Å; D163-F167 PolarHBondContact O-N 2.98Å
164	V	89.7	Confident	85.1	Confident	85 Å²	85	104.4 Å²	104.4	52%	0.515	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-41.7	172.6	173.4	0	0	0	0	111.1	S160 F167 M168	S160-V164 WeakPolarHBondContact O-CG2 3.44Å; S160-V164 PolarHBondContact O-N 3.05Å; S160-V164 VanDerWaalsContact O-N 3.07Å; V164-F167 PolarHBondContact O-N 2.82Å; V164-M168 WeakPolarHBondContact O-CB 3.49Å; V164-M168 PolarHBondContact O-N 3.3Å
165	Q	88.6	Confident	83.2	Confident	104 Å²	104	105 Å²	105	49%	0.486	56%	0.555	S	S	.	*	H	α-helix	trans	-63.2	-45.2	176.8	-166.8	63	53.7	0	0	111.6	A161 Q162 F167 M168 D169	A161-Q165 PolarHBondContact O-N 3.49Å; A161-Q165 VanDerWaalsContact O-N 3.15Å; Q162-Q165 PolarHBondContact O-N 3.07Å; Q165-F167 VanDerWaalsContact C-N 3.31Å; Q165-F167 PolarHBondContact O-N 3.34Å; Q165-M168 PolarHBondContact O-N 3.18Å; Q165-M168 VanDerWaalsContact O-N 3.17Å; Q165-D169 VanDerWaalsContact O-CG 3.29Å; Q165-D169 PolarHBondContact O-N 3.18Å
166	K	89.8	Confident	81	Confident	133 Å²	133	107.2 Å²	107.2	58%	0.578	57%	0.567	S	S	*	*	H	α-helix	trans	-62.4	-37.5	175.6	-76.1	177.2	-176.8	174.4	0	112.7	Q162 D163 A170	Q162-K166 WeakPolarHBondContact O-CG 3.38Å; Q162-K166 PolarHBondContact O-N 3.44Å; D163-K166 PolarHBondContact O-N 2.95Å; K166-A170 VanDerWaalsContact O-CB 3.3Å; K166-A170 WeakPolarHBondContact O-CB 3.37Å; K166-A170 PolarHBondContact O-N 3.02Å
167	F	86.3	Confident	78.9	Confident	138 Å²	138	109.1 Å²	109.1	61%	0.605	58%	0.576	S	S	*	*	H	α-helix	trans	-64.5	-44.9	174.2	176.7	-98.5	0	0	0	111	D163 V164 Q165 D169 A170 V171	D163-F167 WeakPolarHBondContact O-CB 3.43Å; D163-F167 PolarHBondContact O-N 2.98Å; V164-F167 PolarHBondContact O-N 2.82Å; Q165-F167 VanDerWaalsContact C-N 3.31Å; Q165-F167 PolarHBondContact O-N 3.34Å; F167-D169 VanDerWaalsContact C-N 3.35Å; F167-D169 PolarHBondContact O-N 3.16Å; F167-A170 PolarHBondContact O-N 3.18Å; F167-V171 HydrophobicContact CD1-CG2 4.12Å; F167-V171 HydrophobicContact CD2-CG2 4.38Å; F167-V171 HydrophobicContact CE1-CG2 3.72Å; F167-V171 HydrophobicContact CE2-CG2 4Å; F167-V171 HydrophobicContact CG-CG2 4.45Å; F167-V171 HydrophobicContact CZ-CG2 3.65Å; F167-V171 WeakPolarHBondContact O-CB 3.34Å; F167-V171 VanDerWaalsContact O-CG2 3.26Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-V171 PolarHBondContact O-N 3.4Å
168	M	89.4	Confident	77	Confident	114 Å²	114	111.7 Å²	111.7	56%	0.562	59%	0.585	S	S	*	*	H	α-helix	trans	-62.4	-42	177.9	-168.6	168	-78.7	0	0	111.6	V164 Q165 V171 N172	V164-M168 WeakPolarHBondContact O-CB 3.49Å; V164-M168 PolarHBondContact O-N 3.3Å; Q165-M168 PolarHBondContact O-N 3.18Å; Q165-M168 VanDerWaalsContact O-N 3.17Å; M168-V171 PolarHBondContact O-N 3.29Å; M168-N172 WeakPolarHBondContact O-CB 3.3Å; M168-N172 PolarHBondContact O-N 2.92Å
169	D	86.1	Confident	74.3	Confident	91 Å²	91	111 Å²	111	49%	0.487	59%	0.593	S	S	.	*	H	α-helix	trans	-64.8	-41.2	174.8	-64.6	-24.5	0	0	0	111.8	Q165 F167 V171 N172 K173	Q165-D169 VanDerWaalsContact O-CG 3.29Å; Q165-D169 PolarHBondContact O-N 3.18Å; F167-D169 VanDerWaalsContact C-N 3.35Å; F167-D169 PolarHBondContact O-N 3.16Å; D169-V171 VanDerWaalsContact C-N 3.29Å; D169-V171 PolarHBondContact O-N 3.24Å; D169-N172 PolarHBondContact O-N 2.9Å; D169-K173 WeakPolarHBondContact O-CB 3.44Å; D169-K173 PolarHBondContact O-N 3.41Å
170	A	82.8	Confident	72	Confident	55 Å²	55	110.4 Å²	110.4	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-67.2	-29.8	176.2	0	0	0	0	0	112.7	K166 F167 K174	K166-A170 VanDerWaalsContact O-CB 3.3Å; K166-A170 WeakPolarHBondContact O-CB 3.37Å; K166-A170 PolarHBondContact O-N 3.02Å; F167-A170 PolarHBondContact O-N 3.18Å; A170-K174 WeakPolarHBondContact O-CE 3.31Å; A170-K174 VanDerWaalsContact O-CG 3.27Å; A170-K174 WeakPolarHBondContact O-CG 3.28Å
171	V	81	Confident	69.8	Low	56 Å²	56	115.5 Å²	115.5	34%	0.339	61%	0.612	S	S	.	*	H	α-helix	trans	-75.6	-42.7	174	172.6	0	0	0	0	111.7	F167 M168 D169 K173 K174 S175	F167-V171 HydrophobicContact CD1-CG2 4.12Å; F167-V171 HydrophobicContact CD2-CG2 4.38Å; F167-V171 HydrophobicContact CE1-CG2 3.72Å; F167-V171 HydrophobicContact CE2-CG2 4Å; F167-V171 HydrophobicContact CG-CG2 4.45Å; F167-V171 HydrophobicContact CZ-CG2 3.65Å; F167-V171 WeakPolarHBondContact O-CB 3.34Å; F167-V171 VanDerWaalsContact O-CG2 3.26Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-V171 PolarHBondContact O-N 3.4Å; M168-V171 PolarHBondContact O-N 3.29Å; D169-V171 VanDerWaalsContact C-N 3.29Å; D169-V171 PolarHBondContact O-N 3.24Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 3.48Å; V171-K174 VanDerWaalsContact CA-CE 3.41Å; V171-K174 WeakPolarHBondContact O-CG 3.43Å; V171-K174 PolarHBondContact O-N 3.05Å; V171-S175 PolarHBondContact O-N 3.42Å
172	N	76.3	Confident	67.3	Low	121 Å²	121	122.4 Å²	122.4	65%	0.647	63%	0.63	S	S	*	*	H	α-helix	trans	-71.5	-31.8	179.3	-147.7	25.3	0	0	0	111.8	M168 D169 K174 S175	M168-N172 WeakPolarHBondContact O-CB 3.3Å; M168-N172 PolarHBondContact O-N 2.92Å; D169-N172 PolarHBondContact O-N 2.9Å; N172-K174 VanDerWaalsContact C-N 3.31Å; N172-K174 PolarHBondContact O-N 3.25Å; N172-S175 PolarHBondContact O-N 3.2Å
173	K	64.3	Low	64.8	Low	181 Å²	181	119.9 Å²	119.9	79%	0.787	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-26.6	176.2	-165.6	168	-177.5	174.4	0	113.8	D169 V171	D169-K173 WeakPolarHBondContact O-CB 3.44Å; D169-K173 PolarHBondContact O-N 3.41Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 3.48Å
174	K	56.2	Low	62.2	Low	146 Å²	146	122.3 Å²	122.3	64%	0.635	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-3.4	174.1	60.3	-172.7	165	171	0	114	A170 V171 N172	A170-K174 WeakPolarHBondContact O-CE 3.31Å; A170-K174 VanDerWaalsContact O-CG 3.27Å; A170-K174 WeakPolarHBondContact O-CG 3.28Å; V171-K174 VanDerWaalsContact CA-CE 3.41Å; V171-K174 WeakPolarHBondContact O-CG 3.43Å; V171-K174 PolarHBondContact O-N 3.05Å; N172-K174 VanDerWaalsContact C-N 3.31Å; N172-K174 PolarHBondContact O-N 3.25Å
175	S	50.2	Low	59.9	Low	96 Å²	96	126.6 Å²	126.6	67%	0.671	67%	0.674	S	S	*	*	S	Bend	trans	-94.2	1	174.9	-147.3	0	0	0	0	113.6	V171 N172	V171-S175 PolarHBondContact O-N 3.42Å; N172-S175 PolarHBondContact O-N 3.2Å
176	S	43.8	Very low	57.3	Low	106 Å²	106	126.1 Å²	126.1	74%	0.741	68%	0.683	S	S	*	*	S	Bend	trans	-114.1	32.5	177.7	-172.5	0	0	0	0	113.2
177	S	44.4	Very low	54.7	Low	101 Å²	101	127.4 Å²	127.4	71%	0.706	69%	0.691	S	S	*	*			trans	-137.4	82.5	166.9	-152.8	0	0	0	0	108.3	D179	S177-D179 PolarHBondContact O-N 2.99Å
178	Q	49.8	Very low	52.3	Low	186 Å²	186	130.2 Å²	130.2	87%	0.869	71%	0.708	S	S	*	*			trans	-73.8	110.4	161.1	-77.3	-173.8	-46.4	0	0	107.1
179	D	33.8	Very low	49.7	Very low	143 Å²	143	129 Å²	129	77%	0.765	71%	0.711	S	S	*	*			trans	-130.6	139.5	153.7	-139.8	-68	0	0	0	108.4	S177	S177-D179 PolarHBondContact O-N 2.99Å
180	L	43.6	Very low	47.2	Very low	128 Å²	128	128.4 Å²	128.4	67%	0.67	73%	0.726	S	S	*	*			trans	-76.8	154.8	-156.8	-81	60.3	0	0	0	111.1
181	H	37.6	Very low	44.8	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.806	74%	0.742	S	S	*	*				157.2	101	126.9	-76.3	-64.9	0	0	0	112.6
182	K	38.3	Very low	42.8	Very low	207 Å²	207	137.4 Å²	137.4	90%	0.9	76%	0.758	S	S	*	*			trans	34.6	115.3	137.9	-150.4	170.4	180	-167.7	0	119
183	G	40.3	Very low	41.2	Very low	69 Å²	69	136.3 Å²	136.3	71%	0.711	76%	0.76	S	S	*	*			trans	-75.2	168.4	-178.6	0	0	0	0	0	117.3
184	T	33.8	Very low	40.4	Very low	134 Å²	134	133.4 Å²	133.4	82%	0.822	75%	0.748	S	S	*	*			trans	-155	119.4	152.3	-71.5	0	0	0	0	106.4	S186	T184-S186 PolarHBondContact O-N 3.17Å
185	L	40.8	Very low	39.7	Very low	176 Å²	176	133.9 Å²	133.9	92%	0.921	76%	0.757	S	S	*	*			trans	-75.8	111	176.5	-176.6	140.6	0	0	0	107.2
186	S	34	Very low	39.8	Very low	94 Å²	94	133.1 Å²	133.1	66%	0.657	77%	0.765	S	S	*	*			trans	-115.3	110.2	-178.9	-158.5	0	0	0	0	110.7	T184	T184-S186 PolarHBondContact O-N 3.17Å
187	Q	36.9	Very low	39.9	Very low	160 Å²	160	134.2 Å²	134.2	75%	0.748	76%	0.762	S	S	*	*				65.8	89.5	126.2	-152.5	171.6	-5	0	0	117.7	S189	Q187-S189 PolarHBondContact O-N 3.41Å
188	M	34.7	Very low	40.4	Very low	196 Å²	196	132.1 Å²	132.1	97%	0.966	74%	0.743	S	S	*	*			trans	-84.3	88.9	154.6	47.9	176.5	-81.3	0	0	109.4
189	S	34.2	Very low	40.7	Very low	90 Å²	90	128.7 Å²	128.7	63%	0.629	73%	0.729	S	S	*	*			trans	-111.1	101.7	169.1	-165.2	0	0	0	0	108.3	Q187 E191	Q187-S189 PolarHBondContact O-N 3.41Å; S189-E191 PolarHBondContact O-N 3.43Å
190	G	34.2	Very low	41.7	Very low	78 Å²	78	126 Å²	126	80%	0.804	72%	0.717	S	S	*	*			trans	-87.2	91	178.6	0	0	0	0	0	110.8
191	E	33.3	Very low	42.2	Very low	168 Å²	168	124.2 Å²	124.2	79%	0.785	72%	0.716	S	S	*	*			trans	-87.2	117.1	171.8	-161.8	179.6	142.2	0	0	109	S189 S193	S189-E191 PolarHBondContact O-N 3.43Å; E191-S193 PolarHBondContact O-N 3.48Å; E191-S193 VanDerWaalsContact O-N 3.16Å
192	L	39	Very low	43.1	Very low	131 Å²	131	120.3 Å²	120.3	69%	0.686	70%	0.699	S	S	*	*			trans	-82.5	89.4	178.6	-56.8	173.3	0	0	0	108.7
193	S	43.1	Very low	44.1	Very low	98 Å²	98	119.2 Å²	119.2	69%	0.685	69%	0.689	S	S	*	*			trans	-60.2	134	176	-175	0	0	0	0	111.2	E191	E191-S193 PolarHBondContact O-N 3.48Å; E191-S193 VanDerWaalsContact O-N 3.16Å
194	K	46.4	Very low	45.1	Very low	120 Å²	120	117.8 Å²	117.8	52%	0.522	67%	0.665	S	S	.	*	S	Bend	trans	-63	148.8	176.1	-61.9	-176.9	177.3	173.8	0	109.7	D52	D52-K194 IonicContact OD2-NZ 3.18Å; D52-K194 PolarHBondContact OD2-NZ 3.05Å; D52-K194 VanDerWaalsContact OD2-NZ 3.08Å
195	D	42.6	Very low	46.2	Very low	157 Å²	157	116.4 Å²	116.4	84%	0.84	65%	0.652	S	S	*	*	S	Bend	trans	74.1	71.6	174.8	-159.5	40.4	0	0	0	117.1	D197	D195-D197 PolarHBondContact O-N 3.35Å
196	G	51.1	Low	47	Very low	80 Å²	80	109.1 Å²	109.1	83%	0.825	62%	0.619	S	S	*	*			trans	58.3	5.3	152.2	0	0	0	0	0	118.3	L198	G196-L198 PolarHBondContact O-N 3.45Å
197	D	45.8	Very low	47.8	Very low	128 Å²	128	111.9 Å²	111.9	68%	0.684	62%	0.619	S	S	*	*			trans	-81.1	115.8	-170.1	-149.8	14.3	0	0	0	109.5	D195 I199	D195-D197 PolarHBondContact O-N 3.35Å; D197-I199 PolarHBondContact O-N 2.88Å
198	L	55.7	Low	48.7	Very low	57 Å²	57	110 Å²	110	30%	0.298	61%	0.608	S	S	.	*			trans	-88.2	110.4	-160.5	-167	66.1	0	0	0	108.8	G196 V200 M202 I204 L218	G196-L198 PolarHBondContact O-N 3.45Å; L198-V200 PolarHBondContact O-N 3.2Å; L198-M202 HydrophobicContact CD1-CE 3.46Å; L198-M202 VanDerWaalsContact CD1-CE 3.46Å; L198-M202 HydrophobicContact CD1-SD 3.69Å; L198-M202 HydrophobicContact CG-SD 4.41Å; L198-I204 HydrophobicContact CD1-CD1 3.55Å; L198-I204 HydrophobicContact CD2-CD1 3.05Å; L198-I204 HydrophobicContact CD2-CG1 4.47Å; L198-I204 HydrophobicContact CG-CD1 3.35Å; L198-L218 HydrophobicContact CD2-CD2 3.74Å; L198-L218 HydrophobicContact CG-CD2 4.24Å
199	I	55.5	Low	49.5	Very low	115 Å²	115	113 Å²	113	59%	0.59	61%	0.609	S	S	*	*			trans	-63.3	127.6	-173.7	-49.8	-174.2	0	0	0	110.4	D197 S201 M202	D197-I199 PolarHBondContact O-N 2.88Å; I199-S201 PolarHBondContact O-N 2.95Å; I199-M202 HydrophobicContact CB-SD 4.47Å; I199-M202 PolarHBondContact O-N 3.4Å
200	V	54.8	Low	50.4	Low	85 Å²	85	112.6 Å²	112.6	52%	0.515	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.2	124.5	171.8	179.4	0	0	0	0	108.3	L198	L198-V200 PolarHBondContact O-N 3.2Å
201	S	54.8	Low	50.9	Low	91 Å²	91	118 Å²	118	64%	0.636	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.8	-6.4	-170.8	-46.7	0	0	0	0	116.9	I199	I199-S201 PolarHBondContact O-N 2.95Å
202	M	56.6	Low	51.9	Low	92 Å²	92	113.3 Å²	113.3	45%	0.453	59%	0.587	S	S	.	*			trans	-63.3	138.4	167.3	-81	174.1	66.2	0	0	111.1	L198 I199 I204	L198-M202 HydrophobicContact CD1-CE 3.46Å; L198-M202 VanDerWaalsContact CD1-CE 3.46Å; L198-M202 HydrophobicContact CD1-SD 3.69Å; L198-M202 HydrophobicContact CG-SD 4.41Å; I199-M202 HydrophobicContact CB-SD 4.47Å; I199-M202 PolarHBondContact O-N 3.4Å; M202-I204 HydrophobicContact CB-CD1 3.97Å; M202-I204 HydrophobicContact CB-CG1 3.93Å; M202-I204 PolarHBondContact O-N 3.44Å
203	R	57.9	Low	52.6	Low	185 Å²	185	115.6 Å²	115.6	70%	0.698	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.1	110	173.1	-65.2	-142.5	-63.1	-122.8	0.3	109.1	K215	R203-K215 VanDerWaalsContact NE-CE 3.28Å
204	I	61.9	Low	53.3	Low	38 Å²	38	113.8 Å²	113.8	20%	0.195	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.3	136.6	-170.5	-55.6	174.3	0	0	0	108.9	L198 M202 G206 G216 L218 M232	L198-I204 HydrophobicContact CD1-CD1 3.55Å; L198-I204 HydrophobicContact CD2-CD1 3.05Å; L198-I204 HydrophobicContact CD2-CG1 4.47Å; L198-I204 HydrophobicContact CG-CD1 3.35Å; M202-I204 HydrophobicContact CB-CD1 3.97Å; M202-I204 HydrophobicContact CB-CG1 3.93Å; M202-I204 PolarHBondContact O-N 3.44Å; I204-G206 PolarHBondContact O-N 2.9Å; I204-G216 PolarHBondContact N-O 3.43Å; I204-L218 HydrophobicContact CD1-CD2 4.43Å; I204-M232 HydrophobicContact CB-CE 4.18Å; I204-M232 HydrophobicContact CG2-CE 4.46Å
205	L	57.4	Low	53.7	Low	106 Å²	106	113.4 Å²	113.4	56%	0.555	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89	104	174.2	-69.1	173.8	0	0	0	108.4	W213 K215	L205-W213 HydrophobicContact CB-CE3 3.79Å; L205-W213 HydrophobicContact CB-CZ3 4.1Å; L205-K215 HydrophobicContact CD2-CB 4.47Å
206	G	56.9	Low	54.6	Low	22 Å²	22	106.2 Å²	106.2	23%	0.227	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	137.3	174.2	0	0	0	0	0	111.5	I204	I204-G206 PolarHBondContact O-N 2.9Å
207	K	50.4	Low	55.1	Low	153 Å²	153	105.5 Å²	105.5	67%	0.665	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	105.7	168.7	-177.9	175.5	167.7	178.7	0	109.3
208	K	56.3	Low	55.7	Low	119 Å²	119	99.5 Å²	99.5	52%	0.517	48%	0.477	S	S	.	.			trans	-70.4	159.5	170.5	-167	172.1	178.3	179.6	0	109.5	T210	K208-T210 CarbonylContact O-C 3.56Å; K208-T210 PolarHBondContact O-N 3.43Å; K208-T210 VanDerWaalsContact O-O 3.1Å
209	R	52	Low	55.7	Low	260 Å²	260	101.2 Å²	101.2	98%	0.981	49%	0.485	S	S	*	.	S	Bend	trans	-53.7	-23.9	172	-97.8	-169.7	-176.8	159.6	2.1	113.4
210	T	52.6	Low	55.7	Low	82 Å²	82	97.8 Å²	97.8	50%	0.503	47%	0.474	S	S	.	.	S	Bend	trans	-90.2	116.2	167	52.2	0	0	0	0	107.7	K208 T212	K208-T210 CarbonylContact O-C 3.56Å; K208-T210 PolarHBondContact O-N 3.43Å; K208-T210 VanDerWaalsContact O-O 3.1Å; T210-T212 PolarHBondContact O-N 2.91Å; T210-T212 PolarHBondContact O-OG1 3.4Å
211	K	44.8	Very low	55.8	Low	190 Å²	190	97 Å²	97	83%	0.826	47%	0.466	S	S	*	.	S	Bend	trans	-56.7	68.1	-174.3	-68	-166.9	178.6	179.9	0	114.2
212	T	53.2	Low	55.7	Low	70 Å²	70	97.9 Å²	97.9	43%	0.429	46%	0.46	S	S	.	.			trans	-142.5	124.4	176.2	44.1	0	0	0	0	108.1	T210 H214	T210-T212 PolarHBondContact O-N 2.91Å; T210-T212 PolarHBondContact O-OG1 3.4Å; T212-H214 PolarHBondContact O-CD2 3.25Å; T212-H214 PolarHBondContact O-NE2 3.03Å; T212-H214 PolarHBondContact OG1-CE1 2.89Å; T212-H214 PolarHBondContact OG1-NE2 3Å
213	W	53.9	Low	55	Low	180 Å²	180	98.1 Å²	98.1	68%	0.682	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.9	175.1	-63.4	96.2	0	0	0	108.9	L205	L205-W213 HydrophobicContact CB-CE3 3.79Å; L205-W213 HydrophobicContact CB-CZ3 4.1Å
214	H	59.5	Low	54.5	Low	59 Å²	59	93 Å²	93	27%	0.273	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.9	176.5	-57.2	-60.3	0	0	0	109.6	T212 M234	T212-H214 PolarHBondContact O-CD2 3.25Å; T212-H214 PolarHBondContact O-NE2 3.03Å; T212-H214 PolarHBondContact OG1-CE1 2.89Å; T212-H214 PolarHBondContact OG1-NE2 3Å; H214-M234 HydrophobicContact CB-CE 3.91Å; H214-M234 HydrophobicContact CB-SD 4.06Å
215	K	53.7	Low	54.6	Low	112 Å²	112	94.8 Å²	94.8	49%	0.487	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116	172.4	-173.5	178.1	-179.6	179.2	0	108.1	R203 L205	R203-K215 VanDerWaalsContact NE-CE 3.28Å; L205-K215 HydrophobicContact CD2-CB 4.47Å
216	G	61.9	Low	54	Low	7 Å²	7	100.7 Å²	100.7	7%	0.072	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	161.5	179.5	0	0	0	0	0	112.2	I204	I204-G216 PolarHBondContact N-O 3.43Å
217	T	61.1	Low	53	Low	65 Å²	65	102.9 Å²	102.9	40%	0.399	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	127.3	170.6	-53.2	0	0	0	0	108	I219	T217-I219 PolarHBondContact O-N 3.36Å
218	L	58.3	Low	53	Low	1 Å²	1	103.2 Å²	103.2	1%	0.005	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.7	175.4	-179.6	61.6	0	0	0	109.5	L198 I204 I221 L230 M232	L198-L218 HydrophobicContact CD2-CD2 3.74Å; L198-L218 HydrophobicContact CG-CD2 4.24Å; I204-L218 HydrophobicContact CD1-CD2 4.43Å; L218-I221 HydrophobicContact CD1-CG1 4.41Å; L218-I221 HydrophobicContact CD2-CD1 3.99Å; L218-I221 HydrophobicContact CD2-CG1 3.94Å; L218-L230 HydrophobicContact CD1-CD2 3.71Å; L218-L230 HydrophobicContact CD1-CG 3.72Å; L218-L230 HydrophobicContact CD2-CD2 4.4Å; L218-M232 HydrophobicContact CB-CE 4.45Å; L218-M232 HydrophobicContact CD1-CE 4.48Å; L218-M232 HydrophobicContact CD1-CG 4.24Å
219	I	56.5	Low	52.6	Low	94 Å²	94	100 Å²	100	48%	0.482	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-26.8	-175.8	56.3	164.5	0	0	0	113.4	T217 M231 A233	T217-I219 PolarHBondContact O-N 3.36Å; I219-M231 WeakPolarHBondContact CG1-O 3.38Å; I219-A233 HydrophobicContact CD1-CB 4.02Å; I219-A233 HydrophobicContact CG2-CB 4.16Å
220	A	54.1	Low	52.8	Low	43 Å²	43	91.7 Å²	91.7	36%	0.355	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	147.8	175	0	0	0	0	0	111.9	M231	A220-M231 PolarHBondContact O-N 3.47Å; A220-M231 VanDerWaalsContact O-N 3.09Å
221	I	57.7	Low	52.8	Low	69 Å²	69	92.4 Å²	92.4	35%	0.354	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.9	166.5	-57.1	179.4	0	0	0	107.1	L218 F228 L230	L218-I221 HydrophobicContact CD1-CG1 4.41Å; L218-I221 HydrophobicContact CD2-CD1 3.99Å; L218-I221 HydrophobicContact CD2-CG1 3.94Å; I221-F228 HydrophobicContact CG2-CD1 4.23Å; I221-L230 HydrophobicContact CB-CD1 4.42Å; I221-L230 HydrophobicContact CD1-CD1 4.19Å; I221-L230 HydrophobicContact CG1-CD1 3.84Å; I221-L230 HydrophobicContact CG1-CG 4.2Å; I221-L230 HydrophobicContact CG2-CD1 4.03Å
222	Q	52.6	Low	53.3	Low	109 Å²	109	85.6 Å²	85.6	51%	0.509	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.1	176.1	-167.7	164.9	64.5	0	0	108.9	S229	Q222-S229 PolarHBondContact N-O 2.86Å; Q222-S229 WeakPolarHBondContact O-CB 3.46Å; Q222-S229 PolarHBondContact O-N 3.48Å
223	T	43.2	Very low	53.2	Low	96 Å²	96	84.7 Å²	84.7	59%	0.589	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	122.2	174.4	36.5	0	0	0	0	109.9	F228	T223-F228 HydrophobicContact CG2-CD1 3.4Å; T223-F228 VanDerWaalsContact CG2-CD1 3.4Å; T223-F228 HydrophobicContact CG2-CE1 3.4Å
224	V	46.9	Very low	52.9	Low	78 Å²	78	80.4 Å²	80.4	47%	0.473	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	94.1	173.1	-80.5	0	0	0	0	108	S227	V224-S227 CarbonylContact C-O 3.42Å; V224-S227 PolarHBondContact N-O 3.04Å; V224-S227 PolarHBondContact O-N 3.45Å; V224-S227 PolarHBondContact O-OG 3.43Å
225	G	63.2	Low	52.1	Low	75 Å²	75	84.7 Å²	84.7	77%	0.773	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	-141.1	-175.6	0	0	0	0	0	113	S227	G225-S227 PolarHBondContact O-N 3.37Å; G225-S227 VanDerWaalsContact O-N 3.1Å
226	F	45.6	Very low	51.5	Low	230 Å²	230	85.2 Å²	85.2	100%	1.009	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	17.7	174.1	-70.1	-79.6	0	0	0	113.5
227	S	35.9	Very low	50.6	Low	69 Å²	69	91.8 Å²	91.8	48%	0.483	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.8	-178.9	57	0	0	0	0	111.8	V224 G225	V224-S227 CarbonylContact C-O 3.42Å; V224-S227 PolarHBondContact N-O 3.04Å; V224-S227 PolarHBondContact O-N 3.45Å; V224-S227 PolarHBondContact O-OG 3.43Å; G225-S227 PolarHBondContact O-N 3.37Å; G225-S227 VanDerWaalsContact O-N 3.1Å
228	F	50.1	Low	49.7	Very low	159 Å²	159	94.1 Å²	94.1	70%	0.697	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.5	179.3	-59.5	-86.3	0	0	0	110	I221 T223	I221-F228 HydrophobicContact CG2-CD1 4.23Å; T223-F228 HydrophobicContact CG2-CD1 3.4Å; T223-F228 VanDerWaalsContact CG2-CD1 3.4Å; T223-F228 HydrophobicContact CG2-CE1 3.4Å
229	S	47.8	Very low	48.9	Very low	51 Å²	51	102.2 Å²	102.2	36%	0.357	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.5	117.8	172.2	-172.3	0	0	0	0	109.6	Q222	Q222-S229 PolarHBondContact N-O 2.86Å; Q222-S229 WeakPolarHBondContact O-CB 3.46Å; Q222-S229 PolarHBondContact O-N 3.48Å
230	L	56	Low	47.9	Very low	86 Å²	86	103.5 Å²	103.5	45%	0.45	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.2	124.8	178.2	-108.9	73.8	0	0	0	110.7	L218 I221 M232	L218-L230 HydrophobicContact CD1-CD2 3.71Å; L218-L230 HydrophobicContact CD1-CG 3.72Å; L218-L230 HydrophobicContact CD2-CD2 4.4Å; I221-L230 HydrophobicContact CB-CD1 4.42Å; I221-L230 HydrophobicContact CD1-CD1 4.19Å; I221-L230 HydrophobicContact CG1-CD1 3.84Å; I221-L230 HydrophobicContact CG1-CG 4.2Å; I221-L230 HydrophobicContact CG2-CD1 4.03Å; L230-M232 HydrophobicContact CD2-CE 4.42Å
231	M	52.4	Low	47.3	Very low	98 Å²	98	112.4 Å²	112.4	48%	0.483	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.8	122.3	168.1	-67.8	-169.2	-167.9	0	0	109.8	I219 A220	I219-M231 WeakPolarHBondContact CG1-O 3.38Å; A220-M231 PolarHBondContact O-N 3.47Å; A220-M231 VanDerWaalsContact O-N 3.09Å
232	M	56.7	Low	46.7	Very low	47 Å²	47	116.4 Å²	116.4	23%	0.232	64%	0.635	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.8	133.8	177.4	-80	-165.5	164.4	0	0	111.2	I204 L218 L230	I204-M232 HydrophobicContact CB-CE 4.18Å; I204-M232 HydrophobicContact CG2-CE 4.46Å; L218-M232 HydrophobicContact CB-CE 4.45Å; L218-M232 HydrophobicContact CD1-CE 4.48Å; L218-M232 HydrophobicContact CD1-CG 4.24Å; L230-M232 HydrophobicContact CD2-CE 4.42Å
233	A	49.2	Very low	45.9	Very low	50 Å²	50	117.4 Å²	117.4	41%	0.413	65%	0.653	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.7	113.7	164.8	0	0	0	0	0	109.2	I219	I219-A233 HydrophobicContact CD1-CB 4.02Å; I219-A233 HydrophobicContact CG2-CB 4.16Å
234	M	48.1	Very low	45.7	Very low	90 Å²	90	120.1 Å²	120.1	44%	0.443	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-101.7	123.4	178	-68.7	-173.5	176.9	0	0	110.3	H214	H214-M234 HydrophobicContact CB-CE 3.91Å; H214-M234 HydrophobicContact CB-SD 4.06Å
235	L	44.2	Very low	45.5	Very low	150 Å²	150	122.1 Å²	122.1	79%	0.785	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-82.9	133.5	159.2	-87	85.3	0	0	0	108.7	M237	L235-M237 PolarHBondContact O-N 3.37Å
236	P	40.6	Very low	44	Very low	123 Å²	123	128.4 Å²	128.4	80%	0.799	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-67.2	122.1	175.7	26.8	-31.5	0	0	0	109.8	S238	P236-S238 PolarHBondContact O-N 3.28Å
237	M	43.2	Very low	43.9	Very low	144 Å²	144	122.2 Å²	122.2	71%	0.709	67%	0.674	S	S	*	*			trans	-72.8	113.2	162.4	-71	-134.9	72.1	0	0	108.2	L235 H239	L235-M237 PolarHBondContact O-N 3.37Å; M237-H239 PolarHBondContact O-N 3.37Å; M237-H239 PolarHBondContact O-ND1 3.02Å
238	S	42.1	Very low	44.2	Very low	115 Å²	115	122.4 Å²	122.4	80%	0.804	69%	0.687	S	S	*	*			trans	-51.4	121.3	164.3	-60.9	0	0	0	0	108.7	P236 S240	P236-S238 PolarHBondContact O-N 3.28Å; S238-S240 PolarHBondContact O-N 2.95Å
239	H	41.2	Very low	43.7	Very low	171 Å²	171	127.5 Å²	127.5	79%	0.792	71%	0.712	S	S	*	*			trans	-65.1	115	-177.5	-71.7	43.2	0	0	0	109.6	M237 R241	M237-H239 PolarHBondContact O-N 3.37Å; M237-H239 PolarHBondContact O-ND1 3.02Å; H239-R241 PolarHBondContact O-N 3.32Å
240	S	34.3	Very low	43.5	Very low	121 Å²	121	131.4 Å²	131.4	85%	0.846	73%	0.73	S	S	*	*			trans	-78.4	105.7	150.8	-161.2	0	0	0	0	106.5	S238 N242	S238-S240 PolarHBondContact O-N 2.95Å; S240-N242 PolarHBondContact O-N 3.36Å
241	R	43	Very low	42.9	Very low	229 Å²	229	133.7 Å²	133.7	86%	0.864	75%	0.745	S	S	*	*			trans	-72.8	102.4	175.1	-72	-179	175.1	-175.4	-1.9	108.1	H239	H239-R241 PolarHBondContact O-N 3.32Å
242	N	44.8	Very low	42.3	Very low	153 Å²	153	135.7 Å²	135.7	82%	0.818	76%	0.759	S	S	*	*			trans	-158.6	86	146.8	-107.6	0.7	0	0	0	108.6	S240	S240-N242 PolarHBondContact O-N 3.36Å
243	C	35.8	Very low	41.5	Very low	131 Å²	131	140.9 Å²	140.9	89%	0.885	79%	0.79	S	S	*	*			trans	-131.6	116.2	159.7	-71.8	0	0	0	0	107.4
244	I	37.8	Very low	41	Very low	153 Å²	153	146.6 Å²	146.6	79%	0.785	81%	0.814	S	S	*	*			trans	-69	134.7	177.6	-60.7	162.8	0	0	0	108.4	F246	I244-F246 PolarHBondContact O-N 3.02Å
245	P	43.7	Very low	40.5	Very low	120 Å²	120	150.4 Å²	150.4	78%	0.779	84%	0.839	S	S	*	*			trans	-79.3	119.1	171.3	30.2	-28.3	0	0	0	109.8	A247	P245-A247 PolarHBondContact O-N 3.3Å
246	F	31.9	Very low	40.3	Very low	207 Å²	207	150.4 Å²	150.4	91%	0.908	84%	0.843	S	S	*	*			trans	-81.1	106.1	164.7	-129.6	-94.5	0	0	0	107.5	I244	I244-F246 PolarHBondContact O-N 3.02Å
247	A	42.6	Very low	40.2	Very low	99 Å²	99	152.5 Å²	152.5	82%	0.818	85%	0.846	S	S	*	*			trans	-89.7	118.4	167.8	0	0	0	0	0	107.9	P245	P245-A247 PolarHBondContact O-N 3.3Å
248	G	42.9	Very low	40	Very low	73 Å²	73	153.3 Å²	153.3	75%	0.753	86%	0.857	S	S	*	*			trans	-114.8	125.6	172.7	0	0	0	0	0	109.6
249	H	39.6	Very low	39.8	Very low	267 Å²	267	156.7 Å²	156.7	100%	1.236	86%	0.862	S	S	*	*			trans	-70.4	0	169.3	-129	-68.7	0	0	0	111.4

Retrieved 249 of 249 residues in 103.1 ms (Link to these results)

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