A0A3Q0KUC7_SCHMA Loading...

Basic helix-loop-helix transcription factor,hes-related

AlphaFold DB , UniProt , Accession A0A3Q0KUC7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 614 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	41	Very low	41.5	Very low	236 Å²	236	159.4 Å²	159.4	100%	1.163	85%	0.85	S	S	*	*				0	158.4	0	-72.4	132.5	71.5	0	0	109.6
2	V	44.2	Very low	42	Very low	149 Å²	149	156 Å²	156	90%	0.903	83%	0.83	S	S	*	*			trans	15.7	111	172.9	-169.1	0	0	0	0	117.3
3	K	46.2	Very low	41.8	Very low	208 Å²	208	153.8 Å²	153.8	90%	0.904	83%	0.827	S	S	*	*			trans	-126.6	122.4	164.4	-156.8	163.1	-172.9	171.9	0	107.7
4	G	36.5	Very low	42.2	Very low	74 Å²	74	155.6 Å²	155.6	76%	0.763	83%	0.828	S	S	*	*			trans	-69.5	159.5	-168.1	0	0	0	0	0	114.3
5	R	50.1	Low	42	Very low	230 Å²	230	155.2 Å²	155.2	87%	0.868	83%	0.826	S	S	*	*			trans	-131.8	124.2	170.3	-79.6	-174.2	168.4	125.8	-4.4	110.4
6	N	38.9	Very low	42.1	Very low	168 Å²	168	152.3 Å²	152.3	90%	0.898	82%	0.821	S	S	*	*			trans	-93.9	120.3	155.1	-87.1	-12	0	0	0	107.8
7	T	44.4	Very low	43	Very low	107 Å²	107	153.8 Å²	153.8	66%	0.656	83%	0.825	S	S	*	*			trans	-152.5	100.7	167.7	43	0	0	0	0	106.4
8	T	39.2	Very low	43.5	Very low	116 Å²	116	152.3 Å²	152.3	71%	0.712	82%	0.817	S	S	*	*				72	137.3	78.7	60.3	0	0	0	0	114.8
9	N	35.2	Very low	43.8	Very low	148 Å²	148	152 Å²	152	79%	0.791	82%	0.815	S	S	*	*			trans	79.5	116.7	167	-55	-9	0	0	0	117.5
10	N	42.7	Very low	44.2	Very low	148 Å²	148	154.4 Å²	154.4	79%	0.791	82%	0.818	S	S	*	*			trans	-145.7	52.1	152	-100.3	-16.3	0	0	0	109
11	N	38.1	Very low	44	Very low	169 Å²	169	150.3 Å²	150.3	90%	0.904	81%	0.813	S	S	*	*			trans	-93.4	106.3	154.1	-89.3	1.2	0	0	0	105.9
12	I	47.6	Very low	44.1	Very low	119 Å²	119	142.4 Å²	142.4	61%	0.61	79%	0.792	S	S	*	*			trans	-128	113	172.3	-56.3	-178.7	0	0	0	107	E14	I12-E14 HydrophobicContact CG2-CG 3.85Å; I12-E14 PolarHBondContact O-N 3.36Å
13	T	38.6	Very low	44.2	Very low	128 Å²	128	143.6 Å²	143.6	79%	0.785	79%	0.793	S	S	*	*			trans	-78.3	105.3	165.9	41.8	0	0	0	0	108.2	D15	T13-D15 VanDerWaalsContact C-N 3.28Å; T13-D15 PolarHBondContact O-N 3.24Å
14	E	47.9	Very low	44.5	Very low	179 Å²	179	139.3 Å²	139.3	84%	0.836	78%	0.78	S	S	*	*			trans	-90.4	65.8	171.2	-65	-172.5	173.3	0	0	110.2	I12	I12-E14 HydrophobicContact CG2-CG 3.85Å; I12-E14 PolarHBondContact O-N 3.36Å
15	D	39	Very low	45	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	79%	0.786	S	S	*	*			trans	-88.8	149.4	155.8	-90.4	-50.5	0	0	0	108.8	T13	T13-D15 VanDerWaalsContact C-N 3.28Å; T13-D15 PolarHBondContact O-N 3.24Å
16	S	43.5	Very low	44.8	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	77%	0.77	S	S	*	*			trans	69.2	92.4	178.7	-167.7	0	0	0	0	116.9
17	M	58.1	Low	45.1	Very low	179 Å²	179	129.1 Å²	129.1	88%	0.882	75%	0.751	S	S	*	*			trans	-131.6	97.1	142.9	-85.2	-171.1	173.2	0	0	110.5
18	D	51.7	Low	45.6	Very low	127 Å²	127	129 Å²	129	68%	0.679	75%	0.752	S	S	*	*			trans	67.3	106	134	-47.7	-25.2	0	0	0	120.3
19	D	49.4	Very low	46.1	Very low	146 Å²	146	133 Å²	133	78%	0.781	76%	0.755	S	S	*	*			trans	-54.7	129.3	154	165.8	37.8	0	0	0	111.9	G21	D19-G21 PolarHBondContact OD1-N 3.1Å
20	F	52.2	Low	47.1	Very low	199 Å²	199	130.6 Å²	130.6	87%	0.873	75%	0.746	S	S	*	*			trans	-148.5	101.6	154	-99.7	-76.3	0	0	0	109.6
21	G	40.3	Very low	47.9	Very low	69 Å²	69	126.7 Å²	126.7	71%	0.711	73%	0.73	S	S	*	*			trans	-64.6	150.9	173.2	0	0	0	0	0	113.7	D19	D19-G21 PolarHBondContact OD1-N 3.1Å
22	G	42.3	Very low	49	Very low	71 Å²	71	120.8 Å²	120.8	73%	0.732	71%	0.709	S	S	*	*			trans	169.1	69.8	-177.4	0	0	0	0	0	113.2	D24	G22-D24 PolarHBondContact O-N 3.37Å
23	D	46.1	Very low	50.1	Low	173 Å²	173	119.2 Å²	119.2	93%	0.925	71%	0.705	S	S	*	*			trans	-70.1	88.6	178.4	-67.1	-66.5	0	0	0	112.3	P25	D23-P25 WeakPolarHBondContact O-CD 3.1Å
24	D	52.2	Low	51.7	Low	119 Å²	119	116.1 Å²	116.1	64%	0.636	68%	0.684	S	S	*	*			trans	-101.6	105.6	166.6	174.8	47.9	0	0	0	111.7	G22 G26	G22-D24 PolarHBondContact O-N 3.37Å; D24-G26 PolarHBondContact O-N 3.14Å
25	P	48	Very low	52.7	Low	136 Å²	136	115.7 Å²	115.7	88%	0.883	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	44	178.3	35.6	-36.3	0	0	0	112.9	D23	D23-P25 WeakPolarHBondContact O-CD 3.1Å
26	G	45.4	Very low	54.4	Low	52 Å²	52	116.7 Å²	116.7	54%	0.536	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122	-29.7	-168	0	0	0	0	0	118.6	D24 P28	D24-G26 PolarHBondContact O-N 3.14Å; G26-P28 WeakPolarHBondContact O-CD 3.4Å
27	S	44.7	Very low	55.8	Low	70 Å²	70	120.6 Å²	120.6	49%	0.49	67%	0.67	S	S	.	*			trans	-89.1	117.7	-157.6	-168.2	0	0	0	0	116.6	Y29	S27-Y29 VanDerWaalsContact C-N 3.27Å; S27-Y29 PolarHBondContact O-N 3.11Å; S27-Y29 VanDerWaalsContact O-N 3.16Å
28	P	54.9	Low	56.8	Low	104 Å²	104	119.7 Å²	119.7	68%	0.675	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-72.8	-4.4	-176.5	-20.5	34.6	0	0	0	116.6	G26 T30	G26-P28 WeakPolarHBondContact O-CD 3.4Å; P28-T30 VanDerWaalsContact C-N 3.32Å; P28-T30 PolarHBondContact O-N 3.01Å
29	Y	51.2	Low	58.3	Low	201 Å²	201	122.8 Å²	122.8	79%	0.788	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-83	0.1	-164.6	-66	-76.9	0	0	0	115.4	S27 S31	S27-Y29 VanDerWaalsContact C-N 3.27Å; S27-Y29 PolarHBondContact O-N 3.11Å; S27-Y29 VanDerWaalsContact O-N 3.16Å; Y29-S31 VanDerWaalsContact C-N 3.27Å; Y29-S31 PolarHBondContact O-N 3.05Å
30	T	54.4	Low	60.2	Low	97 Å²	97	117.7 Å²	117.7	60%	0.595	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-67.5	-19.6	-176.8	58.5	0	0	0	0	114.6	P28 G32 T33	P28-T30 VanDerWaalsContact C-N 3.32Å; P28-T30 PolarHBondContact O-N 3.01Å; T30-G32 PolarHBondContact O-N 2.94Å; T30-T33 PolarHBondContact O-N 3.22Å; T30-T33 PolarHBondContact O-OG1 3.31Å
31	S	60.1	Low	62.1	Low	65 Å²	65	111.8 Å²	111.8	46%	0.455	62%	0.621	S	S	.	*	H	α-helix	trans	-58.3	-26.4	-173.3	72.2	0	0	0	0	114.8	Y29 R35	Y29-S31 VanDerWaalsContact C-N 3.27Å; Y29-S31 PolarHBondContact O-N 3.05Å; S31-R35 WeakPolarHBondContact O-CB 3.25Å; S31-R35 WeakPolarHBondContact O-CG 3.23Å; S31-R35 PolarHBondContact O-N 3.24Å; S31-R35 VanDerWaalsContact O-N 3.11Å
32	G	62.2	Low	64.5	Low	45 Å²	45	114 Å²	114	46%	0.464	62%	0.615	S	S	.	*	H	α-helix	trans	-66.4	-36	175.7	0	0	0	0	0	113.5	T30 K36	T30-G32 PolarHBondContact O-N 2.94Å; G32-K36 WeakPolarHBondContact O-CB 3.28Å; G32-K36 PolarHBondContact O-N 3.12Å; G32-K36 VanDerWaalsContact O-N 3.12Å
33	T	70.9	Confident	67	Low	86 Å²	86	113.4 Å²	113.4	53%	0.528	59%	0.593	S	S	.	*	H	α-helix	trans	-77.7	-40.1	-177.8	70.4	0	0	0	0	111.4	T30 K36 R37	T30-T33 PolarHBondContact O-N 3.22Å; T30-T33 PolarHBondContact O-OG1 3.31Å; T33-K36 PolarHBondContact O-N 2.98Å; T33-R37 WeakPolarHBondContact O-CG 3.3Å; T33-R37 PolarHBondContact O-N 3.06Å
34	D	70.4	Confident	69.3	Low	64 Å²	64	111 Å²	111	34%	0.342	58%	0.575	S	S	.	*	H	α-helix	trans	-64.3	-44.6	173.4	-177.9	30.2	0	0	0	111.4	K36 R37 R38	D34-K36 PolarHBondContact O-N 2.66Å; D34-R37 PolarHBondContact O-N 3.24Å; D34-R37 VanDerWaalsContact O-N 3.1Å; D34-R38 VanDerWaalsContact CG-NE 3.27Å; D34-R38 WeakPolarHBondContact O-CG 3.37Å; D34-R38 PolarHBondContact O-N 3.49Å; D34-R38 WeakPolarHBondContact OD1-CG 3.37Å; D34-R38 IonicContact OD1-CZ 3.61Å; D34-R38 IonicContact OD1-NE 3.92Å; D34-R38 PolarHBondContact OD1-NE 3.3Å; D34-R38 IonicContact OD1-NH2 3.39Å; D34-R38 IonicContact OD2-CZ 3.69Å; D34-R38 IonicContact OD2-NE 3.17Å; D34-R38 PolarHBondContact OD2-NE 2.83Å; D34-R38 IonicContact OD2-NH2 3.64Å; D34-R38 PolarHBondContact OD2-NH2 3.34Å
35	R	70.7	Confident	71.4	Confident	170 Å²	170	113 Å²	113	64%	0.642	57%	0.573	S	S	*	*	H	α-helix	trans	-55.9	-38	172.4	-73.5	173.6	-176.8	-155.1	2.1	112.2	S31 R39	S31-R35 WeakPolarHBondContact O-CB 3.25Å; S31-R35 WeakPolarHBondContact O-CG 3.23Å; S31-R35 PolarHBondContact O-N 3.24Å; S31-R35 VanDerWaalsContact O-N 3.11Å; R35-R39 WeakPolarHBondContact O-CB 3.41Å; R35-R39 VanDerWaalsContact O-CG 3.24Å; R35-R39 WeakPolarHBondContact O-CG 3.47Å; R35-R39 PolarHBondContact O-N 2.7Å
36	K	73.8	Confident	73.7	Confident	170 Å²	170	111.8 Å²	111.8	74%	0.739	55%	0.551	S	S	*	*	H	α-helix	trans	-71.4	-41.4	175.4	-164.9	173.1	-179.4	-179.3	0	112.2	G32 T33 D34 G40	G32-K36 WeakPolarHBondContact O-CB 3.28Å; G32-K36 PolarHBondContact O-N 3.12Å; G32-K36 VanDerWaalsContact O-N 3.12Å; T33-K36 PolarHBondContact O-N 2.98Å; D34-K36 PolarHBondContact O-N 2.66Å; K36-G40 PolarHBondContact O-N 2.74Å
37	R	73.9	Confident	76.2	Confident	190 Å²	190	115.2 Å²	115.2	72%	0.717	55%	0.548	S	S	*	.	H	α-helix	trans	-62	-49.9	174.8	-73.5	177.7	-177.5	-125.8	2.4	111.6	T33 D34 R39 G40 V41	T33-R37 WeakPolarHBondContact O-CG 3.3Å; T33-R37 PolarHBondContact O-N 3.06Å; D34-R37 PolarHBondContact O-N 3.24Å; D34-R37 VanDerWaalsContact O-N 3.1Å; R37-R39 PolarHBondContact O-N 3.46Å; R37-G40 WeakPolarHBondContact O-CA 3.42Å; R37-G40 PolarHBondContact O-N 3.35Å; R37-G40 VanDerWaalsContact O-N 3.07Å; R37-V41 PolarHBondContact O-N 3.43Å
38	R	77.5	Confident	78.7	Confident	160 Å²	160	115.1 Å²	115.1	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-58.9	-45.3	176.9	-67.8	-177.8	-165.3	-138.9	8.6	112.4	D34 G40 V41 I42	D34-R38 VanDerWaalsContact CG-NE 3.27Å; D34-R38 WeakPolarHBondContact O-CG 3.37Å; D34-R38 PolarHBondContact O-N 3.49Å; D34-R38 WeakPolarHBondContact OD1-CG 3.37Å; D34-R38 IonicContact OD1-CZ 3.61Å; D34-R38 IonicContact OD1-NE 3.92Å; D34-R38 PolarHBondContact OD1-NE 3.3Å; D34-R38 IonicContact OD1-NH2 3.39Å; D34-R38 IonicContact OD2-CZ 3.69Å; D34-R38 IonicContact OD2-NE 3.17Å; D34-R38 PolarHBondContact OD2-NE 2.83Å; D34-R38 IonicContact OD2-NH2 3.64Å; D34-R38 PolarHBondContact OD2-NH2 3.34Å; R38-G40 VanDerWaalsContact C-N 3.31Å; R38-G40 PolarHBondContact O-N 3.3Å; R38-V41 PolarHBondContact O-N 3.42Å; R38-I42 WeakPolarHBondContact O-CG1 3.33Å; R38-I42 PolarHBondContact O-N 2.92Å
39	R	83.4	Confident	80.7	Confident	192 Å²	192	117.2 Å²	117.2	73%	0.725	54%	0.536	S	S	*	.	H	α-helix	trans	-57.3	-43.8	172.6	-76.3	174	178.4	-166.3	-0.9	111.5	R35 R37 V41 I42 E43	R35-R39 WeakPolarHBondContact O-CB 3.41Å; R35-R39 VanDerWaalsContact O-CG 3.24Å; R35-R39 WeakPolarHBondContact O-CG 3.47Å; R35-R39 PolarHBondContact O-N 2.7Å; R37-R39 PolarHBondContact O-N 3.46Å; R39-V41 PolarHBondContact O-N 3.3Å; R39-I42 PolarHBondContact O-N 2.85Å; R39-E43 WeakPolarHBondContact O-CB 3.47Å; R39-E43 PolarHBondContact O-N 3.4Å
40	G	90	Very high	82.8	Confident	38 Å²	38	110.9 Å²	110.9	39%	0.392	52%	0.515	S	S	.	.	H	α-helix	trans	-59.3	-41.7	175.2	0	0	0	0	0	114	K36 R37 R38 K44	K36-G40 PolarHBondContact O-N 2.74Å; R37-G40 WeakPolarHBondContact O-CA 3.42Å; R37-G40 PolarHBondContact O-N 3.35Å; R37-G40 VanDerWaalsContact O-N 3.07Å; R38-G40 VanDerWaalsContact C-N 3.31Å; R38-G40 PolarHBondContact O-N 3.3Å; G40-K44 WeakPolarHBondContact O-CB 3.34Å; G40-K44 PolarHBondContact O-N 3.28Å
41	V	90.9	Very high	84.7	Confident	75 Å²	75	109.9 Å²	109.9	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-68	-43.3	177.4	174.9	0	0	0	0	112	R37 R38 R39 K44 R45	R37-V41 PolarHBondContact O-N 3.43Å; R38-V41 PolarHBondContact O-N 3.42Å; R39-V41 PolarHBondContact O-N 3.3Å; V41-K44 PolarHBondContact O-N 3.41Å; V41-R45 WeakPolarHBondContact O-CG 3.46Å; V41-R45 PolarHBondContact O-N 3.45Å
42	I	91.6	Very high	86.4	Confident	115 Å²	115	109.8 Å²	109.8	59%	0.59	51%	0.505	S	S	*	.	H	α-helix	trans	-62.3	-46.5	178	-66.9	164.5	0	0	0	110.6	R38 R39 R45 R46	R38-I42 WeakPolarHBondContact O-CG1 3.33Å; R38-I42 PolarHBondContact O-N 2.92Å; R39-I42 PolarHBondContact O-N 2.85Å; I42-R45 PolarHBondContact O-N 2.94Å; I42-R46 PolarHBondContact O-N 3.03Å
43	E	94.9	Very high	88	Confident	59 Å²	59	110.1 Å²	110.1	28%	0.276	50%	0.5	S	S	.	.	H	α-helix	trans	-68.1	-37	178	165.9	55.3	-163.7	0	0	112.2	R39 R46 R47	R39-E43 WeakPolarHBondContact O-CB 3.47Å; R39-E43 PolarHBondContact O-N 3.4Å; E43-R46 VanDerWaalsContact CD-NH2 3.33Å; E43-R46 WeakPolarHBondContact O-CB 3.45Å; E43-R46 PolarHBondContact O-N 3.08Å; E43-R46 IonicContact OE1-CZ 3.28Å; E43-R46 IonicContact OE1-NE 2.71Å; E43-R46 IonicContact OE1-NH2 3Å; E43-R46 PolarHBondContact OE1-NH2 3.29Å; E43-R46 IonicContact OE2-CZ 2.72Å; E43-R46 VanDerWaalsContact OE2-CZ 3.28Å; E43-R46 IonicContact OE2-NE 2.87Å; E43-R46 PolarHBondContact OE2-NE 3.08Å; E43-R46 IonicContact OE2-NH2 3.85Å; E43-R46 PolarHBondContact OE2-NH2 3.46Å; E43-R47 PolarHBondContact O-N 3.44Å; E43-R47 WeakPolarHBondContact OE1-CD 3.24Å; E43-R47 VanDerWaalsContact OE1-CG 3.32Å; E43-R47 WeakPolarHBondContact OE1-CG 3.45Å; E43-R47 IonicContact OE1-CZ 2.7Å; E43-R47 IonicContact OE1-NE 2.83Å; E43-R47 IonicContact OE1-NH1 3.57Å; E43-R47 PolarHBondContact OE1-NH1 3.31Å
44	K	94	Very high	89	Confident	124 Å²	124	106.9 Å²	106.9	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-56.9	-54.4	170.4	-172.1	-172.1	171	-179.9	0	110.1	G40 V41 R46 R47 D48	G40-K44 WeakPolarHBondContact O-CB 3.34Å; G40-K44 PolarHBondContact O-N 3.28Å; V41-K44 PolarHBondContact O-N 3.41Å; K44-R46 PolarHBondContact O-N 3.27Å; K44-R46 VanDerWaalsContact O-N 3.14Å; K44-R47 PolarHBondContact O-N 3.09Å; K44-D48 PolarHBondContact O-N 3.45Å
45	R	96.1	Very high	89.9	Confident	159 Å²	159	106.4 Å²	106.4	60%	0.6	49%	0.485	S	S	*	.	H	α-helix	trans	-56.6	-31.5	177.2	-70.3	176.8	-177	177.9	1.3	113.1	V41 I42 R49	V41-R45 WeakPolarHBondContact O-CG 3.46Å; V41-R45 PolarHBondContact O-N 3.45Å; I42-R45 PolarHBondContact O-N 2.94Å; R45-R49 WeakPolarHBondContact O-CG 3.39Å; R45-R49 PolarHBondContact O-N 3.39Å; R45-R49 PolarHBondContact O-NH1 2.94Å
46	R	97.8	Very high	91	Very high	112 Å²	112	100.4 Å²	100.4	42%	0.423	47%	0.465	S	S	.	.	H	α-helix	trans	-68.8	-46.8	174.2	-170.2	-168.1	64.8	94.1	6.8	111.4	I42 E43 K44 D48 R49 I50	I42-R46 PolarHBondContact O-N 3.03Å; E43-R46 VanDerWaalsContact CD-NH2 3.33Å; E43-R46 WeakPolarHBondContact O-CB 3.45Å; E43-R46 PolarHBondContact O-N 3.08Å; E43-R46 IonicContact OE1-CZ 3.28Å; E43-R46 IonicContact OE1-NE 2.71Å; E43-R46 IonicContact OE1-NH2 3Å; E43-R46 PolarHBondContact OE1-NH2 3.29Å; E43-R46 IonicContact OE2-CZ 2.72Å; E43-R46 VanDerWaalsContact OE2-CZ 3.28Å; E43-R46 IonicContact OE2-NE 2.87Å; E43-R46 PolarHBondContact OE2-NE 3.08Å; E43-R46 IonicContact OE2-NH2 3.85Å; E43-R46 PolarHBondContact OE2-NH2 3.46Å; K44-R46 PolarHBondContact O-N 3.27Å; K44-R46 VanDerWaalsContact O-N 3.14Å; R46-D48 VanDerWaalsContact C-N 3.34Å; R46-R49 PolarHBondContact O-N 3.21Å; R46-I50 HydrophobicContact CG-CD1 4.15Å; R46-I50 WeakPolarHBondContact O-CG1 3.44Å; R46-I50 PolarHBondContact O-N 3.18Å; R46-I50 VanDerWaalsContact O-N 3.16Å
47	R	97.3	Very high	92	Very high	124 Å²	124	94.6 Å²	94.6	47%	0.468	44%	0.442	S	S	.	.	H	α-helix	trans	-63.2	-39.7	176	-69	-171.8	-66.7	-116.4	9.1	112.3	E43 K44 I50 N51	E43-R47 PolarHBondContact O-N 3.44Å; E43-R47 WeakPolarHBondContact OE1-CD 3.24Å; E43-R47 VanDerWaalsContact OE1-CG 3.32Å; E43-R47 WeakPolarHBondContact OE1-CG 3.45Å; E43-R47 IonicContact OE1-CZ 2.7Å; E43-R47 IonicContact OE1-NE 2.83Å; E43-R47 IonicContact OE1-NH1 3.57Å; E43-R47 PolarHBondContact OE1-NH1 3.31Å; K44-R47 PolarHBondContact O-N 3.09Å; R47-I50 PolarHBondContact O-N 2.95Å; R47-N51 VanDerWaalsContact O-CG 3.27Å; R47-N51 PolarHBondContact O-N 3.4Å; R47-N51 PolarHBondContact O-ND2 2.92Å
48	D	97	Very high	92.7	Very high	68 Å²	68	88.6 Å²	88.6	36%	0.364	42%	0.421	S	S	.	.	H	α-helix	trans	-58.8	-50.1	177.5	-59.1	-23.4	0	0	0	110.1	K44 R46 I50 N51 C52	K44-D48 PolarHBondContact O-N 3.45Å; R46-D48 VanDerWaalsContact C-N 3.34Å; D48-I50 VanDerWaalsContact C-N 3.35Å; D48-I50 PolarHBondContact O-N 2.92Å; D48-N51 PolarHBondContact O-N 3.09Å; D48-N51 VanDerWaalsContact O-N 3.13Å; D48-C52 PolarHBondContact O-N 3.02Å; D48-C52 PolarHBondContact O-SG 3.17Å; D48-C52 VanDerWaalsContact O-SG 3.34Å
49	R	97.4	Very high	93.3	Very high	148 Å²	148	88.6 Å²	88.6	56%	0.558	42%	0.421	S	S	*	.	H	α-helix	trans	-57.9	-41.4	175	-69.9	-166.9	-48.9	-80.5	14.6	113.6	R45 R46 N51 C52 S53	R45-R49 WeakPolarHBondContact O-CG 3.39Å; R45-R49 PolarHBondContact O-N 3.39Å; R45-R49 PolarHBondContact O-NH1 2.94Å; R46-R49 PolarHBondContact O-N 3.21Å; R49-N51 VanDerWaalsContact C-N 3.32Å; R49-C52 WeakPolarHBondContact O-CB 3.29Å; R49-C52 PolarHBondContact O-N 3.4Å; R49-S53 PolarHBondContact O-N 2.87Å; R49-S53 PolarHBondContact O-OG 3.48Å
50	I	94.9	Very high	93.7	Very high	67 Å²	67	85.4 Å²	85.4	34%	0.344	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-34.1	178.3	-68.9	166.3	0	0	0	111.4	R46 R47 D48 S53 L54	R46-I50 HydrophobicContact CG-CD1 4.15Å; R46-I50 WeakPolarHBondContact O-CG1 3.44Å; R46-I50 PolarHBondContact O-N 3.18Å; R46-I50 VanDerWaalsContact O-N 3.16Å; R47-I50 PolarHBondContact O-N 2.95Å; D48-I50 VanDerWaalsContact C-N 3.35Å; D48-I50 PolarHBondContact O-N 2.92Å; I50-S53 PolarHBondContact O-OG 3.39Å; I50-L54 HydrophobicContact CG2-CD1 4.16Å; I50-L54 WeakPolarHBondContact O-CB 3.42Å; I50-L54 WeakPolarHBondContact O-CD1 3.48Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.31Å; I50-L54 PolarHBondContact O-N 2.92Å; I50-L54 VanDerWaalsContact O-N 3.14Å
51	N	94.9	Very high	93.5	Very high	77 Å²	77	83.7 Å²	83.7	41%	0.412	40%	0.4	S	S	.	.	H	α-helix	trans	-72.6	-37.3	175.3	-68.6	-28.9	0	0	0	111.6	R47 D48 R49 A55 K75	R47-N51 VanDerWaalsContact O-CG 3.27Å; R47-N51 PolarHBondContact O-N 3.4Å; R47-N51 PolarHBondContact O-ND2 2.92Å; D48-N51 PolarHBondContact O-N 3.09Å; D48-N51 VanDerWaalsContact O-N 3.13Å; R49-N51 VanDerWaalsContact C-N 3.32Å; N51-A55 PolarHBondContact O-N 3.42Å; N51-A55 VanDerWaalsContact O-N 3.13Å; N51-K75 PolarHBondContact OD1-NZ 3.26Å
52	C	95.1	Very high	93.2	Very high	62 Å²	62	82.5 Å²	82.5	42%	0.419	39%	0.393	S	S	.	.	H	α-helix	trans	-58.3	-56.7	170.1	-64.8	0	0	0	0	110.8	D48 R49 L54 A55 D56 W324	D48-C52 PolarHBondContact O-N 3.02Å; D48-C52 PolarHBondContact O-SG 3.17Å; D48-C52 VanDerWaalsContact O-SG 3.34Å; R49-C52 WeakPolarHBondContact O-CB 3.29Å; R49-C52 PolarHBondContact O-N 3.4Å; C52-L54 PolarHBondContact O-N 2.92Å; C52-L54 VanDerWaalsContact O-N 3.17Å; C52-A55 WeakPolarHBondContact O-CA 3.48Å; C52-A55 WeakPolarHBondContact O-CB 3.41Å; C52-A55 PolarHBondContact O-N 2.93Å; C52-D56 PolarHBondContact O-N 3.4Å; C52-D56 VanDerWaalsContact O-OD2 3.05Å; C52-W324 HydrophobicContact CB-CH2 4.28Å
53	S	94.9	Very high	92.6	Very high	52 Å²	52	79 Å²	79	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-31.1	-176.6	66.3	0	0	0	0	113.2	R49 I50 L57	R49-S53 PolarHBondContact O-N 2.87Å; R49-S53 PolarHBondContact O-OG 3.48Å; I50-S53 PolarHBondContact O-OG 3.39Å; S53-L57 WeakPolarHBondContact O-CB 3.4Å; S53-L57 VanDerWaalsContact O-CG 3.23Å; S53-L57 WeakPolarHBondContact O-CG 3.3Å; S53-L57 PolarHBondContact O-N 3.21Å
54	L	92.5	Very high	91.6	Very high	18 Å²	18	76.5 Å²	76.5	9%	0.094	37%	0.365	C	S	.	.	H	α-helix	trans	-68.7	-34.5	171.1	-76.5	168	0	0	0	113.3	I50 C52 K58 K75 I78 L79	I50-L54 HydrophobicContact CG2-CD1 4.16Å; I50-L54 WeakPolarHBondContact O-CB 3.42Å; I50-L54 WeakPolarHBondContact O-CD1 3.48Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.31Å; I50-L54 PolarHBondContact O-N 2.92Å; I50-L54 VanDerWaalsContact O-N 3.14Å; C52-L54 PolarHBondContact O-N 2.92Å; C52-L54 VanDerWaalsContact O-N 3.17Å; L54-K58 PolarHBondContact O-N 2.99Å; L54-K58 VanDerWaalsContact O-N 3.12Å; L54-K75 HydrophobicContact CD1-CD 3.72Å; L54-K75 HydrophobicContact CD1-CG 4.06Å; L54-I78 HydrophobicContact CD2-CB 4.45Å; L54-I78 HydrophobicContact CD2-CG2 4.03Å; L54-L79 HydrophobicContact CD2-CD2 4.01Å; L54-L79 HydrophobicContact CD2-CG 4.12Å
55	A	90.4	Very high	90.3	Very high	55 Å²	55	75 Å²	75	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-70.3	-38.8	174.1	0	0	0	0	0	111.5	N51 C52 K58 R59	N51-A55 PolarHBondContact O-N 3.42Å; N51-A55 VanDerWaalsContact O-N 3.13Å; C52-A55 WeakPolarHBondContact O-CA 3.48Å; C52-A55 WeakPolarHBondContact O-CB 3.41Å; C52-A55 PolarHBondContact O-N 2.93Å; A55-K58 PolarHBondContact O-N 2.92Å; A55-R59 WeakPolarHBondContact O-CG 3.46Å; A55-R59 PolarHBondContact O-N 3.09Å
56	D	92.7	Very high	88.6	Confident	44 Å²	44	74.4 Å²	74.4	24%	0.235	37%	0.366	C	S	.	.	H	α-helix	trans	-69.5	-42.5	176.4	-62.4	-50.9	0	0	0	111.7	C52 K58 R59 L60 W324	C52-D56 PolarHBondContact O-N 3.4Å; C52-D56 VanDerWaalsContact O-OD2 3.05Å; D56-K58 VanDerWaalsContact C-N 3.32Å; D56-K58 PolarHBondContact O-N 2.95Å; D56-R59 WeakPolarHBondContact O-CB 3.29Å; D56-R59 PolarHBondContact O-N 2.97Å; D56-L60 WeakPolarHBondContact O-CB 3.47Å; D56-L60 VanDerWaalsContact O-CG 3.29Å; D56-L60 WeakPolarHBondContact O-CG 3.37Å; D56-L60 PolarHBondContact O-N 3.34Å; D56-W324 WeakPolarHBondContact OD2-CZ2 3.41Å
57	L	94	Very high	86.8	Confident	48 Å²	48	74 Å²	74	25%	0.251	37%	0.368	S	S	.	.	H	α-helix	trans	-56.7	-44	171.3	-76.1	177.5	0	0	0	111.9	S53 R59 L60 V61 I78 L79 T82	S53-L57 WeakPolarHBondContact O-CB 3.4Å; S53-L57 VanDerWaalsContact O-CG 3.23Å; S53-L57 WeakPolarHBondContact O-CG 3.3Å; S53-L57 PolarHBondContact O-N 3.21Å; L57-R59 PolarHBondContact O-N 3.32Å; L57-L60 PolarHBondContact O-N 3.05Å; L57-V61 WeakPolarHBondContact O-CB 3.42Å; L57-V61 WeakPolarHBondContact O-CG2 3.41Å; L57-V61 PolarHBondContact O-N 2.96Å; L57-I78 HydrophobicContact CB-CG2 4.01Å; L57-L79 HydrophobicContact CD1-CD2 4.35Å; L57-T82 HydrophobicContact CD1-CG2 4.23Å; L57-T82 HydrophobicContact CD2-CG2 3.65Å; L57-T82 HydrophobicContact CG-CG2 4.49Å
58	K	90.2	Very high	84.6	Confident	64 Å²	64	74.4 Å²	74.4	28%	0.278	39%	0.386	S	S	.	.	H	α-helix	trans	-59.6	-32.1	175.3	-178.7	173.9	-178.9	-174.4	0	112.8	L54 A55 D56 S64 N65 L73 I78	L54-K58 PolarHBondContact O-N 2.99Å; L54-K58 VanDerWaalsContact O-N 3.12Å; A55-K58 PolarHBondContact O-N 2.92Å; D56-K58 VanDerWaalsContact C-N 3.32Å; D56-K58 PolarHBondContact O-N 2.95Å; K58-S64 PolarHBondContact O-OG 3.19Å; K58-N65 PolarHBondContact O-ND2 3.39Å; K58-N65 PolarHBondContact O-OD1 2.91Å; K58-L73 HydrophobicContact CD-CD1 4.03Å; K58-L73 HydrophobicContact CG-CD1 4.17Å; K58-I78 HydrophobicContact CB-CD1 4.4Å; K58-I78 HydrophobicContact CB-CG1 4.5Å; K58-I78 HydrophobicContact CB-CG2 4.49Å
59	R	89.5	Confident	82.8	Confident	159 Å²	159	74.9 Å²	74.9	60%	0.6	41%	0.408	S	S	*	.	H	α-helix	trans	-79.2	-36.3	176.6	-70	176.6	67.9	-166.7	2.2	113.1	A55 D56 L57 N65	A55-R59 WeakPolarHBondContact O-CG 3.46Å; A55-R59 PolarHBondContact O-N 3.09Å; D56-R59 WeakPolarHBondContact O-CB 3.29Å; D56-R59 PolarHBondContact O-N 2.97Å; L57-R59 PolarHBondContact O-N 3.32Å; R59-N65 PolarHBondContact O-ND2 3.12Å
60	L	90.7	Very high	80.7	Confident	125 Å²	125	70 Å²	70	65%	0.654	40%	0.396	S	S	*	.	H	α-helix	trans	-83.4	-31.4	-173.1	-70.3	168.8	0	0	0	113.7	D56 L57	D56-L60 WeakPolarHBondContact O-CB 3.47Å; D56-L60 VanDerWaalsContact O-CG 3.29Å; D56-L60 WeakPolarHBondContact O-CG 3.37Å; D56-L60 PolarHBondContact O-N 3.34Å; L57-L60 PolarHBondContact O-N 3.05Å
61	V	87.6	Confident	79.1	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.012	42%	0.42	C	S	.	.	S	Bend	trans	-79.5	125.2	176.2	174.1	0	0	0	0	109	L57 D63 S64 N65 L81 T82 F85	L57-V61 WeakPolarHBondContact O-CB 3.42Å; L57-V61 WeakPolarHBondContact O-CG2 3.41Å; L57-V61 PolarHBondContact O-N 2.96Å; V61-D63 HydrophobicContact CG1-CB 4.43Å; V61-D63 PolarHBondContact O-N 3.03Å; V61-S64 WeakPolarHBondContact CB-OG 3.36Å; V61-S64 PolarHBondContact O-OG 3.26Å; V61-N65 PolarHBondContact O-ND2 3.4Å; V61-L81 HydrophobicContact CG1-CB 3.99Å; V61-T82 HydrophobicContact CG2-CG2 4.41Å; V61-F85 HydrophobicContact CG1-CB 4.07Å; V61-F85 HydrophobicContact CG1-CG 4.43Å; V61-F85 HydrophobicContact CG2-CB 4.39Å; V61-F85 HydrophobicContact CG2-CD1 4Å
62	P	83.3	Confident	78.2	Confident	50 Å²	50	76.8 Å²	76.8	33%	0.325	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-59.7	-48.1	-179.4	-25	34.4	0	0	0	112.1	S64 N65 H66 F85	P62-S64 PolarHBondContact O-N 2.9Å; P62-S64 VanDerWaalsContact O-N 3.12Å; P62-N65 PolarHBondContact O-N 3.23Å; P62-H66 PolarHBondContact O-CD2 2.69Å; P62-H66 VanDerWaalsContact O-CD2 3.24Å; P62-F85 HydrophobicContact CG-CD2 4.32Å; P62-F85 HydrophobicContact CG-CE2 3.89Å; P62-F85 HydrophobicContact CG-CZ 4.25Å
63	D	79.1	Confident	77.4	Confident	43 Å²	43	74.5 Å²	74.5	23%	0.23	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-67.1	-19.3	-169.5	-51.2	-33.9	0	0	0	113.3	V61 N65 L81 R88	V61-D63 HydrophobicContact CG1-CB 4.43Å; V61-D63 PolarHBondContact O-N 3.03Å; D63-N65 VanDerWaalsContact C-N 3.31Å; D63-L81 HydrophobicContact CB-CD2 4.06Å; D63-R88 IonicContact OD1-NH1 2.83Å; D63-R88 PolarHBondContact OD1-NH1 2.89Å; D63-R88 IonicContact OD2-CZ 2.66Å; D63-R88 IonicContact OD2-NH1 3.22Å; D63-R88 PolarHBondContact OD2-NH1 3.31Å; D63-R88 IonicContact OD2-NH2 3.34Å; D63-R88 PolarHBondContact OD2-NH2 3.33Å
64	S	74.3	Confident	77	Confident	5 Å²	5	78.7 Å²	78.7	4%	0.035	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-81.3	-5.9	174.6	50.7	0	0	0	0	114.6	K58 V61 P62 L73	K58-S64 PolarHBondContact O-OG 3.19Å; V61-S64 WeakPolarHBondContact CB-OG 3.36Å; V61-S64 PolarHBondContact O-OG 3.26Å; P62-S64 PolarHBondContact O-N 2.9Å; P62-S64 VanDerWaalsContact O-N 3.12Å; S64-L73 VanDerWaalsContact CB-CD1 3.47Å; S64-L73 WeakPolarHBondContact O-CD1 3.39Å
65	N	65.9	Low	76.8	Confident	93 Å²	93	83.3 Å²	83.3	50%	0.497	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-23.9	171.2	-63.2	-54.4	0	0	0	112.6	K58 R59 V61 P62 D63 K67	K58-N65 PolarHBondContact O-ND2 3.39Å; K58-N65 PolarHBondContact O-OD1 2.91Å; R59-N65 PolarHBondContact O-ND2 3.12Å; V61-N65 PolarHBondContact O-ND2 3.4Å; P62-N65 PolarHBondContact O-N 3.23Å; D63-N65 VanDerWaalsContact C-N 3.31Å; N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 3.44Å; N65-K67 VanDerWaalsContact O-N 3.14Å
66	H	61.6	Low	76.9	Confident	146 Å²	146	83.9 Å²	83.9	68%	0.676	46%	0.46	S	S	*	.			trans	-80.3	17.2	-173.2	-77.5	-70	0	0	0	116.4	P62 P68	P62-H66 PolarHBondContact O-CD2 2.69Å; P62-H66 VanDerWaalsContact O-CD2 3.24Å; H66-P68 VanDerWaalsContact C-CD 3.45Å; H66-P68 WeakPolarHBondContact O-CD 3.19Å
67	K	59.8	Low	76.8	Confident	104 Å²	104	84.2 Å²	84.2	45%	0.452	46%	0.46	S	S	.	.			trans	-106.6	78.3	172.2	-68.8	-171.9	-178.2	-179.1	0	111.5	N65 G69 S70 L73 E77	N65-K67 VanDerWaalsContact C-N 3.27Å; N65-K67 PolarHBondContact O-N 3.44Å; N65-K67 VanDerWaalsContact O-N 3.14Å; K67-G69 PolarHBondContact O-N 3Å; K67-G69 VanDerWaalsContact O-N 3.11Å; K67-S70 PolarHBondContact O-N 3.27Å; K67-L73 HydrophobicContact CD-CD2 4.38Å; K67-E77 IonicContact NZ-OE1 2.81Å; K67-E77 PolarHBondContact NZ-OE1 3.49Å
68	P	51.7	Low	76.6	Confident	132 Å²	132	82.6 Å²	82.6	86%	0.857	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	117.6	175.6	26	-33.8	0	0	0	109.8	H66	H66-P68 VanDerWaalsContact C-CD 3.45Å; H66-P68 WeakPolarHBondContact O-CD 3.19Å
69	G	57.4	Low	76.9	Confident	79 Å²	79	83.8 Å²	83.8	81%	0.814	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.6	-16.5	-175.2	0	0	0	0	0	115.5	K67 A71	K67-G69 PolarHBondContact O-N 3Å; K67-G69 VanDerWaalsContact O-N 3.11Å; G69-A71 VanDerWaalsContact C-N 3.35Å; G69-A71 PolarHBondContact O-N 2.88Å
70	S	55	Low	77	Confident	45 Å²	45	81.1 Å²	81.1	32%	0.315	46%	0.455	S	S	.	.			trans	-79.4	82.8	174.6	-169.1	0	0	0	0	111.5	K67 K72	K67-S70 PolarHBondContact O-N 3.27Å; S70-K72 PolarHBondContact O-N 2.93Å
71	A	61.2	Low	77.1	Confident	103 Å²	103	76.1 Å²	76.1	85%	0.851	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.8	-177.1	0	0	0	0	0	114.3	G69	G69-A71 VanDerWaalsContact C-N 3.35Å; G69-A71 PolarHBondContact O-N 2.88Å
72	K	74.6	Confident	77.3	Confident	183 Å²	183	76.7 Å²	76.7	80%	0.796	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-158.1	79.4	-174.6	-164.5	175.9	-176.4	-179.8	0	112.6	S70 E74	S70-K72 PolarHBondContact O-N 2.93Å; K72-E74 PolarHBondContact O-N 3.13Å
73	L	79.6	Confident	77.7	Confident	14 Å²	14	77.6 Å²	77.6	7%	0.073	44%	0.437	C	S	.	.			trans	-51	138.3	166.8	-58.3	-176.2	0	0	0	110.3	K58 S64 K67 E77 I78	K58-L73 HydrophobicContact CD-CD1 4.03Å; K58-L73 HydrophobicContact CG-CD1 4.17Å; S64-L73 VanDerWaalsContact CB-CD1 3.47Å; S64-L73 WeakPolarHBondContact O-CD1 3.39Å; K67-L73 HydrophobicContact CD-CD2 4.38Å; L73-E77 WeakPolarHBondContact CA-OE2 3.14Å; L73-E77 HydrophobicContact CD2-CG 4.42Å; L73-E77 VanDerWaalsContact CD2-OE2 3.25Å; L73-E77 WeakPolarHBondContact CD2-OE2 3.16Å; L73-I78 HydrophobicContact CB-CD1 4.32Å; L73-I78 HydrophobicContact CB-CG1 3.89Å; L73-I78 HydrophobicContact CD1-CG1 4.1Å
74	E	85.2	Confident	78.2	Confident	141 Å²	141	79.1 Å²	79.1	66%	0.659	44%	0.443	S	S	*	.			trans	-76.4	159.2	177.8	-63.6	-155.9	154.8	0	0	112.2	K72 A76 E77 I78	K72-E74 PolarHBondContact O-N 3.13Å; E74-A76 PolarHBondContact O-N 2.87Å; E74-E77 HydrophobicContact CB-CB 4.35Å; E74-E77 PolarHBondContact N-OE2 3.36Å; E74-E77 PolarHBondContact O-N 3.45Å; E74-E77 VanDerWaalsContact O-N 3.09Å; E74-I78 WeakPolarHBondContact O-CG1 3.21Å; E74-I78 PolarHBondContact O-N 2.85Å
75	K	89.1	Confident	78.9	Confident	114 Å²	114	81.1 Å²	81.1	50%	0.496	45%	0.451	S	S	.	.	H	α-helix	trans	-61	-32.7	177.7	-69.9	-163.6	167.9	-160.1	0	112.8	N51 L54 L79	N51-K75 PolarHBondContact OD1-NZ 3.26Å; L54-K75 HydrophobicContact CD1-CD 3.72Å; L54-K75 HydrophobicContact CD1-CG 4.06Å; K75-L79 WeakPolarHBondContact O-CD1 3.23Å; K75-L79 VanDerWaalsContact O-CG 3.3Å; K75-L79 WeakPolarHBondContact O-CG 3.32Å; K75-L79 PolarHBondContact O-N 3.31Å
76	A	91.6	Very high	79.9	Confident	68 Å²	68	80.6 Å²	80.6	56%	0.562	45%	0.448	S	S	*	.	H	α-helix	trans	-69.1	-42.9	173.4	0	0	0	0	0	111.7	E74 L79 Q80	E74-A76 PolarHBondContact O-N 2.87Å; A76-L79 PolarHBondContact O-N 3.23Å; A76-Q80 WeakPolarHBondContact O-CB 3.3Å; A76-Q80 PolarHBondContact O-N 3.38Å
77	E	91.2	Very high	81.1	Confident	50 Å²	50	78.3 Å²	78.3	23%	0.234	44%	0.437	C	S	.	.	H	α-helix	trans	-63.8	-43.4	-179.9	-171.9	179.3	-162.1	0	0	112.3	K67 L73 E74 L79 Q80 L81	K67-E77 IonicContact NZ-OE1 2.81Å; K67-E77 PolarHBondContact NZ-OE1 3.49Å; L73-E77 WeakPolarHBondContact CA-OE2 3.14Å; L73-E77 HydrophobicContact CD2-CG 4.42Å; L73-E77 VanDerWaalsContact CD2-OE2 3.25Å; L73-E77 WeakPolarHBondContact CD2-OE2 3.16Å; E74-E77 HydrophobicContact CB-CB 4.35Å; E74-E77 PolarHBondContact N-OE2 3.36Å; E74-E77 PolarHBondContact O-N 3.45Å; E74-E77 VanDerWaalsContact O-N 3.09Å; E77-L79 VanDerWaalsContact C-N 3.31Å; E77-L79 PolarHBondContact O-N 2.97Å; E77-Q80 PolarHBondContact O-N 2.96Å; E77-L81 HydrophobicContact CG-CD1 4.07Å; E77-L81 HydrophobicContact CG-CG 4.48Å; E77-L81 WeakPolarHBondContact O-CG 3.48Å; E77-L81 PolarHBondContact O-N 3.29Å
78	I	90.7	Very high	82.2	Confident	15 Å²	15	77.6 Å²	77.6	8%	0.077	43%	0.432	C	S	.	.	H	α-helix	trans	-58.5	-44.1	175.1	-64.7	167	0	0	0	110.8	L54 L57 K58 L73 E74 T82	L54-I78 HydrophobicContact CD2-CB 4.45Å; L54-I78 HydrophobicContact CD2-CG2 4.03Å; L57-I78 HydrophobicContact CB-CG2 4.01Å; K58-I78 HydrophobicContact CB-CD1 4.4Å; K58-I78 HydrophobicContact CB-CG1 4.5Å; K58-I78 HydrophobicContact CB-CG2 4.49Å; L73-I78 HydrophobicContact CB-CD1 4.32Å; L73-I78 HydrophobicContact CB-CG1 3.89Å; L73-I78 HydrophobicContact CD1-CG1 4.1Å; E74-I78 WeakPolarHBondContact O-CG1 3.21Å; E74-I78 PolarHBondContact O-N 2.85Å; I78-T82 WeakPolarHBondContact O-CB 3.32Å; I78-T82 PolarHBondContact O-N 3.01Å; I78-T82 PolarHBondContact O-OG1 2.85Å
79	L	95.1	Very high	83.7	Confident	89 Å²	89	73.1 Å²	73.1	47%	0.466	40%	0.4	S	S	.	.	H	α-helix	trans	-69.3	-39	179.1	-67.9	171.8	0	0	0	112.2	L54 L57 K75 A76 E77 T82 V83	L54-L79 HydrophobicContact CD2-CD2 4.01Å; L54-L79 HydrophobicContact CD2-CG 4.12Å; L57-L79 HydrophobicContact CD1-CD2 4.35Å; K75-L79 WeakPolarHBondContact O-CD1 3.23Å; K75-L79 VanDerWaalsContact O-CG 3.3Å; K75-L79 WeakPolarHBondContact O-CG 3.32Å; K75-L79 PolarHBondContact O-N 3.31Å; A76-L79 PolarHBondContact O-N 3.23Å; E77-L79 VanDerWaalsContact C-N 3.31Å; E77-L79 PolarHBondContact O-N 2.97Å; L79-T82 WeakPolarHBondContact O-CB 3.46Å; L79-T82 PolarHBondContact O-N 2.88Å; L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 2.91Å
80	Q	92.5	Very high	84.6	Confident	103 Å²	103	73.1 Å²	73.1	48%	0.481	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-51.2	177.3	-177.9	60.8	27	0	0	111.4	A76 E77 T82 V83 E84	A76-Q80 WeakPolarHBondContact O-CB 3.3Å; A76-Q80 PolarHBondContact O-N 3.38Å; E77-Q80 PolarHBondContact O-N 2.96Å; Q80-T82 PolarHBondContact O-N 2.97Å; Q80-V83 PolarHBondContact O-N 2.81Å; Q80-V83 VanDerWaalsContact O-N 3.09Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.3Å; Q80-E84 PolarHBondContact NE2-OE1 2.81Å; Q80-E84 WeakPolarHBondContact O-CG 3.48Å; Q80-E84 PolarHBondContact O-N 2.91Å
81	L	92.1	Very high	85.7	Confident	20 Å²	20	77.7 Å²	77.7	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-34.2	176.7	-64.3	172	0	0	0	111.6	V61 D63 E77 F85	V61-L81 HydrophobicContact CG1-CB 3.99Å; D63-L81 HydrophobicContact CB-CD2 4.06Å; E77-L81 HydrophobicContact CG-CD1 4.07Å; E77-L81 HydrophobicContact CG-CG 4.48Å; E77-L81 WeakPolarHBondContact O-CG 3.48Å; E77-L81 PolarHBondContact O-N 3.29Å; L81-F85 VanDerWaalsContact O-CB 3.29Å; L81-F85 WeakPolarHBondContact O-CB 3.48Å; L81-F85 PolarHBondContact O-N 3.01Å
82	T	93.1	Very high	86.5	Confident	14 Å²	14	77.8 Å²	77.8	9%	0.086	38%	0.376	C	S	.	.	H	α-helix	trans	-62.3	-46.7	172.2	-57.8	0	0	0	0	111.9	L57 V61 I78 L79 Q80 F85 L86	L57-T82 HydrophobicContact CD1-CG2 4.23Å; L57-T82 HydrophobicContact CD2-CG2 3.65Å; L57-T82 HydrophobicContact CG-CG2 4.49Å; V61-T82 HydrophobicContact CG2-CG2 4.41Å; I78-T82 WeakPolarHBondContact O-CB 3.32Å; I78-T82 PolarHBondContact O-N 3.01Å; I78-T82 PolarHBondContact O-OG1 2.85Å; L79-T82 WeakPolarHBondContact O-CB 3.46Å; L79-T82 PolarHBondContact O-N 2.88Å; Q80-T82 PolarHBondContact O-N 2.97Å; T82-F85 PolarHBondContact O-N 3.35Å; T82-L86 HydrophobicContact CG2-CD1 4.07Å; T82-L86 VanDerWaalsContact O-CG 3.32Å; T82-L86 WeakPolarHBondContact O-CG 3.37Å; T82-L86 PolarHBondContact O-N 2.83Å
83	V	91.2	Very high	86.2	Confident	68 Å²	68	70.4 Å²	70.4	41%	0.412	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-40.6	179.4	171.3	0	0	0	0	111.2	L79 Q80 L86 Q87	L79-V83 VanDerWaalsContact O-CG2 3.3Å; L79-V83 WeakPolarHBondContact O-CG2 3.48Å; L79-V83 PolarHBondContact O-N 2.91Å; Q80-V83 PolarHBondContact O-N 2.81Å; Q80-V83 VanDerWaalsContact O-N 3.09Å; V83-L86 PolarHBondContact O-N 3.4Å; V83-Q87 WeakPolarHBondContact O-CB 3.4Å; V83-Q87 VanDerWaalsContact O-CG 3.31Å; V83-Q87 WeakPolarHBondContact O-CG 3.38Å; V83-Q87 PolarHBondContact O-N 3.33Å
84	E	89.9	Confident	85.6	Confident	76 Å²	76	76.8 Å²	76.8	36%	0.355	38%	0.376	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.4	-72.7	172.1	-165.7	0	0	112	Q80 Q87 R88	Q80-E84 WeakPolarHBondContact CG-OE1 3.3Å; Q80-E84 PolarHBondContact NE2-OE1 2.81Å; Q80-E84 WeakPolarHBondContact O-CG 3.48Å; Q80-E84 PolarHBondContact O-N 2.91Å; E84-Q87 PolarHBondContact O-N 2.93Å; E84-R88 WeakPolarHBondContact O-CB 3.46Å; E84-R88 PolarHBondContact O-N 3.44Å
85	F	88.7	Confident	84.7	Confident	46 Å²	46	72.8 Å²	72.8	20%	0.202	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-43.5	175.1	179.9	-124.5	0	0	0	112.4	V61 P62 L81 T82 Q87 R88 L89	V61-F85 HydrophobicContact CG1-CB 4.07Å; V61-F85 HydrophobicContact CG1-CG 4.43Å; V61-F85 HydrophobicContact CG2-CB 4.39Å; V61-F85 HydrophobicContact CG2-CD1 4Å; P62-F85 HydrophobicContact CG-CD2 4.32Å; P62-F85 HydrophobicContact CG-CE2 3.89Å; P62-F85 HydrophobicContact CG-CZ 4.25Å; L81-F85 VanDerWaalsContact O-CB 3.29Å; L81-F85 WeakPolarHBondContact O-CB 3.48Å; L81-F85 PolarHBondContact O-N 3.01Å; T82-F85 PolarHBondContact O-N 3.35Å; F85-Q87 PolarHBondContact O-N 2.91Å; F85-R88 WeakPolarHBondContact O-CB 3.47Å; F85-R88 PolarHBondContact O-N 2.94Å; F85-L89 HydrophobicContact CD1-CD1 4.1Å; F85-L89 HydrophobicContact CD2-CG 4.31Å; F85-L89 HydrophobicContact CE1-CD1 3.71Å; F85-L89 HydrophobicContact CE1-CG 4.44Å; F85-L89 HydrophobicContact CE2-CD1 4.15Å; F85-L89 HydrophobicContact CE2-CD2 4.06Å; F85-L89 HydrophobicContact CE2-CG 3.99Å; F85-L89 HydrophobicContact CZ-CD1 3.74Å; F85-L89 HydrophobicContact CZ-CD2 4.13Å; F85-L89 HydrophobicContact CZ-CG 4.07Å; F85-L89 WeakPolarHBondContact O-CG 3.25Å; F85-L89 PolarHBondContact O-N 3.1Å
86	L	87.8	Confident	83.7	Confident	82 Å²	82	69.2 Å²	69.2	43%	0.429	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-43.7	174	-71.9	170.2	0	0	0	111.7	T82 V83 R88 L89 H90	T82-L86 HydrophobicContact CG2-CD1 4.07Å; T82-L86 VanDerWaalsContact O-CG 3.32Å; T82-L86 WeakPolarHBondContact O-CG 3.37Å; T82-L86 PolarHBondContact O-N 2.83Å; V83-L86 PolarHBondContact O-N 3.4Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.24Å; L86-L89 PolarHBondContact O-N 3.01Å; L86-H90 WeakPolarHBondContact O-CB 3.35Å; L86-H90 PolarHBondContact O-CD2 3.14Å; L86-H90 PolarHBondContact O-N 2.88Å
87	Q	85.4	Confident	82.9	Confident	99 Å²	99	66.9 Å²	66.9	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-35.5	174.5	-73.5	-178.7	28.6	0	0	112.7	V83 E84 F85 K91	V83-Q87 WeakPolarHBondContact O-CB 3.4Å; V83-Q87 VanDerWaalsContact O-CG 3.31Å; V83-Q87 WeakPolarHBondContact O-CG 3.38Å; V83-Q87 PolarHBondContact O-N 3.33Å; E84-Q87 PolarHBondContact O-N 2.93Å; F85-Q87 PolarHBondContact O-N 2.91Å; Q87-K91 WeakPolarHBondContact O-CB 3.34Å; Q87-K91 WeakPolarHBondContact O-CD 3.26Å; Q87-K91 VanDerWaalsContact O-CG 3.24Å; Q87-K91 WeakPolarHBondContact O-CG 3.45Å; Q87-K91 PolarHBondContact O-N 3.25Å
88	R	84	Confident	82.2	Confident	89 Å²	89	67.8 Å²	67.8	34%	0.336	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-54.5	174.9	-168.5	-176.6	-56.1	145.9	12.8	110.5	D63 E84 F85 L86 H90 K91 E92	D63-R88 IonicContact OD1-NH1 2.83Å; D63-R88 PolarHBondContact OD1-NH1 2.89Å; D63-R88 IonicContact OD2-CZ 2.66Å; D63-R88 IonicContact OD2-NH1 3.22Å; D63-R88 PolarHBondContact OD2-NH1 3.31Å; D63-R88 IonicContact OD2-NH2 3.34Å; D63-R88 PolarHBondContact OD2-NH2 3.33Å; E84-R88 WeakPolarHBondContact O-CB 3.46Å; E84-R88 PolarHBondContact O-N 3.44Å; F85-R88 WeakPolarHBondContact O-CB 3.47Å; F85-R88 PolarHBondContact O-N 2.94Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.24Å; R88-H90 PolarHBondContact O-N 3.22Å; R88-K91 PolarHBondContact O-N 3.35Å; R88-K91 VanDerWaalsContact O-N 3.09Å; R88-E92 VanDerWaalsContact CG-OE1 3.3Å; R88-E92 WeakPolarHBondContact CG-OE1 3.39Å; R88-E92 WeakPolarHBondContact O-CB 3.35Å; R88-E92 WeakPolarHBondContact O-CG 3.3Å; R88-E92 PolarHBondContact O-N 2.98Å
89	L	83	Confident	81.7	Confident	37 Å²	37	70.6 Å²	70.6	19%	0.194	35%	0.354	C	S	.	.	H	α-helix	trans	-56.2	-33.9	175.7	-68.1	175.1	0	0	0	113.3	F85 L86 G93 Y94 V95	F85-L89 HydrophobicContact CD1-CD1 4.1Å; F85-L89 HydrophobicContact CD2-CG 4.31Å; F85-L89 HydrophobicContact CE1-CD1 3.71Å; F85-L89 HydrophobicContact CE1-CG 4.44Å; F85-L89 HydrophobicContact CE2-CD1 4.15Å; F85-L89 HydrophobicContact CE2-CD2 4.06Å; F85-L89 HydrophobicContact CE2-CG 3.99Å; F85-L89 HydrophobicContact CZ-CD1 3.74Å; F85-L89 HydrophobicContact CZ-CD2 4.13Å; F85-L89 HydrophobicContact CZ-CG 4.07Å; F85-L89 WeakPolarHBondContact O-CG 3.25Å; F85-L89 PolarHBondContact O-N 3.1Å; L86-L89 PolarHBondContact O-N 3.01Å; L89-G93 PolarHBondContact O-N 2.95Å; L89-Y94 HydrophobicContact CD2-CD2 3.88Å; L89-Y94 HydrophobicContact CD2-CG 4.21Å; L89-Y94 PolarHBondContact O-N 3.45Å; L89-V95 HydrophobicContact CB-CG2 4Å
90	H	75.9	Confident	81	Confident	79 Å²	79	66.5 Å²	66.5	37%	0.366	33%	0.333	S	S	.	.	H	α-helix	trans	-71.5	-47.7	175.5	-75.7	-147.9	0	0	0	111.7	L86 R88 E92 G93 Y168	L86-H90 WeakPolarHBondContact O-CB 3.35Å; L86-H90 PolarHBondContact O-CD2 3.14Å; L86-H90 PolarHBondContact O-N 2.88Å; R88-H90 PolarHBondContact O-N 3.22Å; H90-E92 VanDerWaalsContact C-N 3.31Å; H90-E92 PolarHBondContact O-N 3.34Å; H90-G93 PolarHBondContact O-N 3.13Å; H90-G93 VanDerWaalsContact O-N 3.08Å; H90-Y168 PolarHBondContact O-OH 3.17Å
91	K	77.9	Confident	80.5	Confident	141 Å²	141	67.2 Å²	67.2	61%	0.613	33%	0.331	S	S	*	.	H	α-helix	trans	-63.6	-33.9	178.6	-74.7	166	179.9	169.5	0	113.2	Q87 R88 G93 Y168	Q87-K91 WeakPolarHBondContact O-CB 3.34Å; Q87-K91 WeakPolarHBondContact O-CD 3.26Å; Q87-K91 VanDerWaalsContact O-CG 3.24Å; Q87-K91 WeakPolarHBondContact O-CG 3.45Å; Q87-K91 PolarHBondContact O-N 3.25Å; R88-K91 PolarHBondContact O-N 3.35Å; R88-K91 VanDerWaalsContact O-N 3.09Å; K91-G93 VanDerWaalsContact C-N 3.27Å; K91-Y168 PolarHBondContact O-OH 3.43Å
92	E	78.3	Confident	80.3	Confident	106 Å²	106	68.5 Å²	68.5	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.7	176.5	-67.7	164	164.8	0	0	112.3	R88 H90 Y94	R88-E92 VanDerWaalsContact CG-OE1 3.3Å; R88-E92 WeakPolarHBondContact CG-OE1 3.39Å; R88-E92 WeakPolarHBondContact O-CB 3.35Å; R88-E92 WeakPolarHBondContact O-CG 3.3Å; R88-E92 PolarHBondContact O-N 2.98Å; H90-E92 VanDerWaalsContact C-N 3.31Å; H90-E92 PolarHBondContact O-N 3.34Å; E92-Y94 VanDerWaalsContact C-N 3.29Å; E92-Y94 HydrophobicContact CB-CD2 3.46Å; E92-Y94 VanDerWaalsContact CB-CD2 3.46Å; E92-Y94 HydrophobicContact CB-CE2 3.63Å; E92-Y94 HydrophobicContact CB-CG 4.41Å; E92-Y94 HydrophobicContact CG-CD2 4.37Å; E92-Y94 HydrophobicContact CG-CE2 4.21Å; E92-Y94 PolarHBondContact O-N 3.36Å; E92-Y94 VanDerWaalsContact OE2-CD2 3.28Å; E92-Y94 WeakPolarHBondContact OE2-CD2 3.48Å; E92-Y94 VanDerWaalsContact OE2-CE2 3.23Å; E92-Y94 WeakPolarHBondContact OE2-CE2 3.46Å
93	G	68.5	Low	80.1	Confident	27 Å²	27	68.1 Å²	68.1	28%	0.278	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	4.1	179.9	0	0	0	0	0	114.9	L89 H90 K91 V95 L96 G97	L89-G93 PolarHBondContact O-N 2.95Å; H90-G93 PolarHBondContact O-N 3.13Å; H90-G93 VanDerWaalsContact O-N 3.08Å; K91-G93 VanDerWaalsContact C-N 3.27Å; G93-V95 PolarHBondContact O-N 2.91Å; G93-L96 PolarHBondContact O-N 2.74Å; G93-G97 PolarHBondContact O-N 3.25Å
94	Y	67.5	Low	79.8	Confident	148 Å²	148	68.4 Å²	68.4	58%	0.58	34%	0.339	S	S	*	.	H	α-helix	trans	-58.5	-42	-172.7	-79.4	-60.8	0	0	0	114.2	L89 E92 S98	L89-Y94 HydrophobicContact CD2-CD2 3.88Å; L89-Y94 HydrophobicContact CD2-CG 4.21Å; L89-Y94 PolarHBondContact O-N 3.45Å; E92-Y94 VanDerWaalsContact C-N 3.29Å; E92-Y94 HydrophobicContact CB-CD2 3.46Å; E92-Y94 VanDerWaalsContact CB-CD2 3.46Å; E92-Y94 HydrophobicContact CB-CE2 3.63Å; E92-Y94 HydrophobicContact CB-CG 4.41Å; E92-Y94 HydrophobicContact CG-CD2 4.37Å; E92-Y94 HydrophobicContact CG-CE2 4.21Å; E92-Y94 PolarHBondContact O-N 3.36Å; E92-Y94 VanDerWaalsContact OE2-CD2 3.28Å; E92-Y94 WeakPolarHBondContact OE2-CD2 3.48Å; E92-Y94 VanDerWaalsContact OE2-CE2 3.23Å; E92-Y94 WeakPolarHBondContact OE2-CE2 3.46Å; Y94-S98 WeakPolarHBondContact O-CB 3.49Å; Y94-S98 PolarHBondContact O-N 3.41Å
95	V	65.4	Low	79.8	Confident	58 Å²	58	68.9 Å²	68.9	35%	0.352	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-53.6	-178.9	-177	0	0	0	0	110.5	L89 G93 S98 E99	L89-V95 HydrophobicContact CB-CG2 4Å; G93-V95 PolarHBondContact O-N 2.91Å; V95-S98 PolarHBondContact O-N 3.19Å; V95-E99 PolarHBondContact O-N 3.38Å; V95-E99 VanDerWaalsContact O-N 3.1Å
96	L	69.2	Low	80	Confident	39 Å²	39	75 Å²	75	20%	0.204	37%	0.365	C	S	.	.	H	α-helix	trans	-72.6	-32.7	-175.2	-50.1	-173	0	0	0	111.9	G93 A100 I160 A164	G93-L96 PolarHBondContact O-N 2.74Å; L96-A100 VanDerWaalsContact O-CB 3.26Å; L96-A100 WeakPolarHBondContact O-CB 3.38Å; L96-A100 PolarHBondContact O-N 3.33Å; L96-I160 HydrophobicContact CB-CG2 3.95Å; L96-I160 HydrophobicContact CD1-CG2 4.18Å; L96-I160 HydrophobicContact CD2-CG2 4.16Å; L96-I160 HydrophobicContact CG-CG2 4.32Å; L96-A164 HydrophobicContact CD1-CB 3.41Å; L96-A164 VanDerWaalsContact CD1-CB 3.41Å
97	G	72.8	Confident	80.2	Confident	18 Å²	18	73.7 Å²	73.7	19%	0.186	36%	0.355	C	S	.	.	H	α-helix	trans	-73.4	-30.9	174.5	0	0	0	0	0	113.7	G93 R101	G93-G97 PolarHBondContact O-N 3.25Å; G97-R101 WeakPolarHBondContact O-CB 3.32Å; G97-R101 PolarHBondContact O-N 3.06Å
98	S	77.1	Confident	80.4	Confident	70 Å²	70	72.5 Å²	72.5	49%	0.49	36%	0.355	S	S	.	.	H	α-helix	trans	-67.3	-45.3	171	-172.7	0	0	0	0	110.9	Y94 V95 R101 A102	Y94-S98 WeakPolarHBondContact O-CB 3.49Å; Y94-S98 PolarHBondContact O-N 3.41Å; V95-S98 PolarHBondContact O-N 3.19Å; S98-R101 PolarHBondContact O-N 2.96Å; S98-A102 WeakPolarHBondContact O-CB 3.33Å; S98-A102 PolarHBondContact O-N 3.08Å
99	E	80.2	Confident	80.8	Confident	73 Å²	73	69.6 Å²	69.6	34%	0.341	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-47	176.6	-176.7	157	-127.8	0	0	112.2	V95 R101 A102 I103 Y156 I160	V95-E99 PolarHBondContact O-N 3.38Å; V95-E99 VanDerWaalsContact O-N 3.1Å; E99-R101 PolarHBondContact O-N 2.94Å; E99-A102 PolarHBondContact O-N 3.3Å; E99-A102 VanDerWaalsContact O-N 3.16Å; E99-I103 HydrophobicContact CG-CD1 3.99Å; E99-I103 WeakPolarHBondContact O-CD1 3.43Å; E99-I103 VanDerWaalsContact O-CG1 3.3Å; E99-I103 WeakPolarHBondContact O-CG1 3.38Å; E99-I103 PolarHBondContact O-N 3.39Å; E99-Y156 HydrophobicContact CG-CE1 4.34Å; E99-Y156 PolarHBondContact OE1-OH 3.43Å; E99-I160 HydrophobicContact CG-CD1 3.78Å; E99-I160 WeakPolarHBondContact OE2-CD1 3.21Å
100	A	79.7	Confident	81.4	Confident	3 Å²	3	69.7 Å²	69.7	3%	0.025	35%	0.351	C	S	.	.	H	α-helix	trans	-56.1	-48.2	174.1	0	0	0	0	0	111.8	L96 A102 I103 E104 L157 I423	L96-A100 VanDerWaalsContact O-CB 3.26Å; L96-A100 WeakPolarHBondContact O-CB 3.38Å; L96-A100 PolarHBondContact O-N 3.33Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A100-A102 PolarHBondContact O-N 2.9Å; A100-I103 WeakPolarHBondContact O-CB 3.4Å; A100-I103 PolarHBondContact O-N 3.22Å; A100-I103 VanDerWaalsContact O-N 3.08Å; A100-E104 WeakPolarHBondContact O-CG 3.46Å; A100-E104 PolarHBondContact O-N 2.93Å; A100-L157 HydrophobicContact CB-CD2 3.85Å; A100-I423 HydrophobicContact CB-CD1 4.46Å
101	R	82	Confident	82.3	Confident	118 Å²	118	68.9 Å²	68.9	45%	0.445	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-41.2	175.6	-177	-176.6	-64.2	-169.7	-1.5	112.5	G97 S98 E99 I103 E104 L105	G97-R101 WeakPolarHBondContact O-CB 3.32Å; G97-R101 PolarHBondContact O-N 3.06Å; S98-R101 PolarHBondContact O-N 2.96Å; E99-R101 PolarHBondContact O-N 2.94Å; R101-I103 PolarHBondContact O-N 3.13Å; R101-E104 PolarHBondContact O-N 3.33Å; R101-L105 HydrophobicContact CG-CD1 3.98Å; R101-L105 HydrophobicContact CG-CG 4.35Å; R101-L105 WeakPolarHBondContact O-CB 3.47Å; R101-L105 VanDerWaalsContact O-CG 3.25Å; R101-L105 WeakPolarHBondContact O-CG 3.44Å; R101-L105 PolarHBondContact O-N 3.3Å
102	A	88.5	Confident	83	Confident	48 Å²	48	66.3 Å²	66.3	40%	0.397	34%	0.339	S	S	.	.	H	α-helix	trans	-68.1	-21.1	177.6	0	0	0	0	0	113.2	S98 E99 A100 R106	S98-A102 WeakPolarHBondContact O-CB 3.33Å; S98-A102 PolarHBondContact O-N 3.08Å; E99-A102 PolarHBondContact O-N 3.3Å; E99-A102 VanDerWaalsContact O-N 3.16Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A100-A102 PolarHBondContact O-N 2.9Å; A102-R106 WeakPolarHBondContact O-CG 3.35Å; A102-R106 PolarHBondContact O-NE 2.92Å; A102-R106 VanDerWaalsContact O-NE 3.09Å
103	I	88.7	Confident	83.9	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-84.5	-44.2	172.8	-65.2	156.6	0	0	0	110.6	E99 A100 R101 R106 R107 T153 Y156 L157	E99-I103 HydrophobicContact CG-CD1 3.99Å; E99-I103 WeakPolarHBondContact O-CD1 3.43Å; E99-I103 VanDerWaalsContact O-CG1 3.3Å; E99-I103 WeakPolarHBondContact O-CG1 3.38Å; E99-I103 PolarHBondContact O-N 3.39Å; A100-I103 WeakPolarHBondContact O-CB 3.4Å; A100-I103 PolarHBondContact O-N 3.22Å; A100-I103 VanDerWaalsContact O-N 3.08Å; R101-I103 PolarHBondContact O-N 3.13Å; I103-R106 PolarHBondContact O-N 2.88Å; I103-R107 PolarHBondContact O-N 3.37Å; I103-T153 HydrophobicContact CG2-CG2 3.33Å; I103-Y156 HydrophobicContact CD1-CD1 3.5Å; I103-Y156 HydrophobicContact CD1-CE1 3.71Å; I103-L157 HydrophobicContact CD1-CD2 3.71Å
104	E	85.9	Confident	85.2	Confident	74 Å²	74	63.7 Å²	63.7	35%	0.346	33%	0.327	S	S	.	.	H	α-helix	trans	-57	-49.4	174	-71.1	166.4	171.1	0	0	111.2	A100 R101 R106 R107 T108	A100-E104 WeakPolarHBondContact O-CG 3.46Å; A100-E104 PolarHBondContact O-N 2.93Å; R101-E104 PolarHBondContact O-N 3.33Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 3.42Å; E104-R107 PolarHBondContact O-N 3.01Å; E104-R107 VanDerWaalsContact O-N 3.08Å; E104-T108 PolarHBondContact O-N 3.46Å; E104-T108 PolarHBondContact O-OG1 3.4Å; E104-T108 VanDerWaalsContact O-OG1 3.13Å
105	L	90	Very high	86.5	Confident	86 Å²	86	62.2 Å²	62.2	45%	0.45	33%	0.329	S	S	.	.	H	α-helix	trans	-58.1	-37.3	175.5	-73.3	169.3	0	0	0	112.9	R101 G109	R101-L105 HydrophobicContact CG-CD1 3.98Å; R101-L105 HydrophobicContact CG-CG 4.35Å; R101-L105 WeakPolarHBondContact O-CB 3.47Å; R101-L105 VanDerWaalsContact O-CG 3.25Å; R101-L105 WeakPolarHBondContact O-CG 3.44Å; R101-L105 PolarHBondContact O-N 3.3Å; L105-G109 PolarHBondContact O-N 2.98Å
106	R	91.8	Very high	87.8	Confident	173 Å²	173	63.1 Å²	63.1	65%	0.653	33%	0.329	S	S	*	.	H	α-helix	trans	-69.7	-34.7	175.6	-80.5	-174.5	-68.5	164.7	-2.6	112.7	A102 I103 E104 F110	A102-R106 WeakPolarHBondContact O-CG 3.35Å; A102-R106 PolarHBondContact O-NE 2.92Å; A102-R106 VanDerWaalsContact O-NE 3.09Å; I103-R106 PolarHBondContact O-N 2.88Å; E104-R106 VanDerWaalsContact C-N 3.29Å; E104-R106 PolarHBondContact O-N 3.42Å; R106-F110 PolarHBondContact O-N 3.16Å
107	R	91.5	Very high	89	Confident	56 Å²	56	63.1 Å²	63.1	21%	0.211	33%	0.331	C	S	.	.	H	α-helix	trans	-69.3	-48.1	173.6	-78	175.7	65.6	-155.2	3.3	111.6	I103 E104 F110 K111 D150 T153	I103-R107 PolarHBondContact O-N 3.37Å; E104-R107 PolarHBondContact O-N 3.01Å; E104-R107 VanDerWaalsContact O-N 3.08Å; R107-F110 PolarHBondContact O-N 2.88Å; R107-K111 WeakPolarHBondContact O-CG 3.27Å; R107-K111 PolarHBondContact O-N 2.9Å; R107-D150 IonicContact CZ-OD1 3.61Å; R107-D150 IonicContact CZ-OD2 3.49Å; R107-D150 VanDerWaalsContact NE-CG 3.28Å; R107-D150 IonicContact NE-OD1 3.47Å; R107-D150 PolarHBondContact NE-OD1 3.09Å; R107-D150 IonicContact NE-OD2 3.56Å; R107-D150 IonicContact NH2-OD1 2.76Å; R107-D150 PolarHBondContact NH2-OD1 3.34Å; R107-D150 IonicContact NH2-OD2 3.71Å; R107-D150 PolarHBondContact NH2-OD2 3.08Å; R107-T153 VanDerWaalsContact CD-CG2 3.44Å; R107-T153 WeakPolarHBondContact CD-OG1 3.47Å
108	T	90.1	Very high	89.9	Confident	74 Å²	74	64.3 Å²	64.3	45%	0.454	33%	0.334	S	S	.	.	H	α-helix	trans	-57.9	-51.8	177.3	-53.1	0	0	0	0	110.5	E104 F110 K111 D112	E104-T108 PolarHBondContact O-N 3.46Å; E104-T108 PolarHBondContact O-OG1 3.4Å; E104-T108 VanDerWaalsContact O-OG1 3.13Å; T108-F110 VanDerWaalsContact C-N 3.25Å; T108-F110 PolarHBondContact O-N 3.04Å; T108-K111 CarbonylContact O-C 3.59Å; T108-K111 WeakPolarHBondContact O-CA 3.39Å; T108-K111 WeakPolarHBondContact O-CB 3.37Å; T108-K111 PolarHBondContact O-N 3.42Å; T108-D112 PolarHBondContact O-N 3.1Å
109	G	93	Very high	90.5	Very high	27 Å²	27	66.9 Å²	66.9	28%	0.278	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-26.9	177.9	0	0	0	0	0	114.9	L105 C113	L105-G109 PolarHBondContact O-N 2.98Å; G109-C113 VanDerWaalsContact O-CB 3.28Å; G109-C113 WeakPolarHBondContact O-CB 3.41Å; G109-C113 PolarHBondContact O-N 3.18Å; G109-C113 VanDerWaalsContact O-N 3.14Å
110	F	95.5	Very high	91	Very high	39 Å²	39	66.6 Å²	66.6	17%	0.171	33%	0.333	C	S	.	.	H	α-helix	trans	-74.3	-39.3	170.8	-172.9	-96.7	0	0	0	112.4	R106 R107 T108 C113 L114 L142 C145 E146 R149	R106-F110 PolarHBondContact O-N 3.16Å; R107-F110 PolarHBondContact O-N 2.88Å; T108-F110 VanDerWaalsContact C-N 3.25Å; T108-F110 PolarHBondContact O-N 3.04Å; F110-C113 PolarHBondContact O-N 3.39Å; F110-L114 HydrophobicContact CE1-CD2 4.42Å; F110-L114 WeakPolarHBondContact O-CB 3.5Å; F110-L114 PolarHBondContact O-N 3.02Å; F110-L142 HydrophobicContact CZ-CD2 4.17Å; F110-C145 HydrophobicContact CZ-CB 4.31Å; F110-E146 HydrophobicContact CD1-CB 4.28Å; F110-E146 HydrophobicContact CD1-CG 4.35Å; F110-E146 HydrophobicContact CE1-CB 3.92Å; F110-E146 HydrophobicContact CE1-CG 4.45Å; F110-R149 VanDerWaalsContact CE1-NH1 3.27Å
111	K	94	Very high	91.5	Very high	62 Å²	62	68.2 Å²	68.2	27%	0.27	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-43.9	174.4	-66.7	175.7	-167	-80.3	0	111	R107 T108 C113 L114 L115 E146 D150	R107-K111 WeakPolarHBondContact O-CG 3.27Å; R107-K111 PolarHBondContact O-N 2.9Å; T108-K111 CarbonylContact O-C 3.59Å; T108-K111 WeakPolarHBondContact O-CA 3.39Å; T108-K111 WeakPolarHBondContact O-CB 3.37Å; T108-K111 PolarHBondContact O-N 3.42Å; K111-C113 VanDerWaalsContact C-N 3.34Å; K111-C113 PolarHBondContact O-N 3.32Å; K111-L114 PolarHBondContact O-N 3.43Å; K111-L115 WeakPolarHBondContact O-CG 3.28Å; K111-L115 PolarHBondContact O-N 2.89Å; K111-E146 HydrophobicContact CG-CG 4.33Å; K111-E146 IonicContact NZ-OE1 3.73Å; K111-E146 PolarHBondContact NZ-OE1 3.31Å; K111-D150 IonicContact NZ-OD1 2.85Å; K111-D150 IonicContact NZ-OD2 2.64Å; K111-D150 PolarHBondContact NZ-OD2 2.86Å
112	D	94.5	Very high	91.6	Very high	88 Å²	88	66.4 Å²	66.4	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-59.3	-44.1	175.3	-60	-28.5	0	0	0	111.5	T108 L115 E116	T108-D112 PolarHBondContact O-N 3.1Å; D112-L115 PolarHBondContact O-N 3.09Å; D112-E116 PolarHBondContact O-N 3.21Å
113	C	96.1	Very high	91.4	Very high	70 Å²	70	68.4 Å²	68.4	47%	0.473	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-42.1	175	-176.4	0	0	0	0	112.4	G109 F110 K111 E116 V117	G109-C113 VanDerWaalsContact O-CB 3.28Å; G109-C113 WeakPolarHBondContact O-CB 3.41Å; G109-C113 PolarHBondContact O-N 3.18Å; G109-C113 VanDerWaalsContact O-N 3.14Å; F110-C113 PolarHBondContact O-N 3.39Å; K111-C113 VanDerWaalsContact C-N 3.34Å; K111-C113 PolarHBondContact O-N 3.32Å; C113-E116 PolarHBondContact O-N 3.35Å; C113-V117 WeakPolarHBondContact O-CB 3.34Å; C113-V117 WeakPolarHBondContact O-CG2 3.42Å; C113-V117 PolarHBondContact O-N 3.16Å
114	L	95.6	Very high	90.8	Very high	7 Å²	7	75.6 Å²	75.6	4%	0.037	38%	0.382	C	S	.	.	H	α-helix	trans	-65.3	-40.8	176	175.2	49.6	0	0	0	112.1	F110 K111 V117 T118 L139 L142 E146	F110-L114 HydrophobicContact CE1-CD2 4.42Å; F110-L114 WeakPolarHBondContact O-CB 3.5Å; F110-L114 PolarHBondContact O-N 3.02Å; K111-L114 PolarHBondContact O-N 3.43Å; L114-V117 PolarHBondContact O-N 3.43Å; L114-T118 WeakPolarHBondContact O-CB 3.49Å; L114-T118 PolarHBondContact O-N 3.25Å; L114-T118 PolarHBondContact O-OG1 3.14Å; L114-L139 HydrophobicContact CD1-CD2 4.07Å; L114-L142 HydrophobicContact CD1-CB 3.56Å; L114-L142 HydrophobicContact CD1-CD1 4Å; L114-L142 HydrophobicContact CD1-CG 4.43Å; L114-L142 HydrophobicContact CD2-CB 4.44Å; L114-E146 HydrophobicContact CD2-CB 4.25Å; L114-E146 HydrophobicContact CD2-CG 4.5Å
115	L	94.6	Very high	90	Very high	118 Å²	118	74.4 Å²	74.4	62%	0.618	38%	0.379	S	S	*	.	H	α-helix	trans	-62	-44.5	173.7	-70.3	171.4	0	0	0	111.5	K111 D112 T118 R119	K111-L115 WeakPolarHBondContact O-CG 3.28Å; K111-L115 PolarHBondContact O-N 2.89Å; D112-L115 PolarHBondContact O-N 3.09Å; L115-T118 WeakPolarHBondContact O-CB 3.4Å; L115-T118 PolarHBondContact O-N 2.91Å; L115-R119 WeakPolarHBondContact O-CB 3.42Å; L115-R119 PolarHBondContact O-N 3Å
116	E	93.6	Very high	88.7	Confident	77 Å²	77	74.3 Å²	74.3	36%	0.36	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-41	177.7	178.7	59.2	-171.3	0	0	112.4	D112 C113 T118 R119 L120	D112-E116 PolarHBondContact O-N 3.21Å; C113-E116 PolarHBondContact O-N 3.35Å; E116-T118 VanDerWaalsContact C-N 3.31Å; E116-T118 PolarHBondContact O-N 3.24Å; E116-R119 PolarHBondContact O-N 2.83Å; E116-R119 IonicContact OE1-CZ 3.5Å; E116-R119 IonicContact OE1-NE 2.74Å; E116-R119 IonicContact OE1-NH2 3.4Å; E116-R119 PolarHBondContact OE1-NH2 2.85Å; E116-R119 IonicContact OE2-CZ 3.4Å; E116-R119 IonicContact OE2-NE 2.69Å; E116-R119 PolarHBondContact OE2-NE 2.64Å; E116-R119 IonicContact OE2-NH2 3.56Å; E116-R119 PolarHBondContact OE2-NH2 2.76Å; E116-L120 HydrophobicContact CG-CD1 4.09Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 VanDerWaalsContact O-CG 3.26Å; E116-L120 WeakPolarHBondContact O-CG 3.42Å; E116-L120 PolarHBondContact O-N 3.4Å
117	V	93.5	Very high	87.4	Confident	39 Å²	39	72.3 Å²	72.3	24%	0.236	40%	0.399	C	S	.	.	H	α-helix	trans	-60.6	-41.4	172	168.4	0	0	0	0	111.1	C113 L114 L120 L121 L138 L139 L142	C113-V117 WeakPolarHBondContact O-CB 3.34Å; C113-V117 WeakPolarHBondContact O-CG2 3.42Å; C113-V117 PolarHBondContact O-N 3.16Å; L114-V117 PolarHBondContact O-N 3.43Å; V117-L120 PolarHBondContact O-N 3.4Å; V117-L121 HydrophobicContact CG1-CD1 3.77Å; V117-L121 HydrophobicContact CG1-CG 4.38Å; V117-L121 WeakPolarHBondContact O-CB 3.47Å; V117-L121 VanDerWaalsContact O-CG 3.24Å; V117-L121 WeakPolarHBondContact O-CG 3.38Å; V117-L121 PolarHBondContact O-N 2.74Å; V117-L138 HydrophobicContact CG1-CD2 4.49Å; V117-L139 HydrophobicContact CG1-CD2 4.35Å; V117-L142 HydrophobicContact CB-CD1 4.45Å; V117-L142 HydrophobicContact CG1-CD1 3.81Å
118	T	91.7	Very high	86.2	Confident	42 Å²	42	74.3 Å²	74.3	26%	0.258	41%	0.414	S	S	.	.	H	α-helix	trans	-61.4	-49.1	175.7	-53.3	0	0	0	0	110.8	L114 L115 E116 L120 L121 S122 L139	L114-T118 WeakPolarHBondContact O-CB 3.49Å; L114-T118 PolarHBondContact O-N 3.25Å; L114-T118 PolarHBondContact O-OG1 3.14Å; L115-T118 WeakPolarHBondContact O-CB 3.4Å; L115-T118 PolarHBondContact O-N 2.91Å; E116-T118 VanDerWaalsContact C-N 3.31Å; E116-T118 PolarHBondContact O-N 3.24Å; T118-L120 VanDerWaalsContact C-N 3.34Å; T118-L120 PolarHBondContact O-N 3.29Å; T118-L121 PolarHBondContact O-N 2.87Å; T118-S122 PolarHBondContact O-N 3.38Å; T118-S122 PolarHBondContact O-OG 3.38Å; T118-L139 HydrophobicContact CG2-CD1 4.21Å; T118-L139 HydrophobicContact CG2-CD2 4.4Å; T118-L139 VanDerWaalsContact OG1-CD2 3.27Å; T118-L139 WeakPolarHBondContact OG1-CD2 3.37Å
119	R	91	Very high	84.9	Confident	124 Å²	124	77.8 Å²	77.8	47%	0.468	43%	0.428	S	S	.	.	H	α-helix	trans	-59.2	-42.6	177.9	-167.3	-161.1	65	69	-0.8	112.3	L115 E116 T123	L115-R119 WeakPolarHBondContact O-CB 3.42Å; L115-R119 PolarHBondContact O-N 3Å; E116-R119 PolarHBondContact O-N 2.83Å; E116-R119 IonicContact OE1-CZ 3.5Å; E116-R119 IonicContact OE1-NE 2.74Å; E116-R119 IonicContact OE1-NH2 3.4Å; E116-R119 PolarHBondContact OE1-NH2 2.85Å; E116-R119 IonicContact OE2-CZ 3.4Å; E116-R119 IonicContact OE2-NE 2.69Å; E116-R119 PolarHBondContact OE2-NE 2.64Å; E116-R119 IonicContact OE2-NH2 3.56Å; E116-R119 PolarHBondContact OE2-NH2 2.76Å; R119-T123 PolarHBondContact O-N 3.43Å; R119-T123 PolarHBondContact O-OG1 3.01Å
120	L	89.8	Confident	83.8	Confident	67 Å²	67	81 Å²	81	35%	0.351	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-48.9	176.6	-74	167.4	0	0	0	111.4	E116 V117 T118 S122 T123 Y124	E116-L120 HydrophobicContact CG-CD1 4.09Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 VanDerWaalsContact O-CG 3.26Å; E116-L120 WeakPolarHBondContact O-CG 3.42Å; E116-L120 PolarHBondContact O-N 3.4Å; V117-L120 PolarHBondContact O-N 3.4Å; T118-L120 VanDerWaalsContact C-N 3.34Å; T118-L120 PolarHBondContact O-N 3.29Å; L120-S122 PolarHBondContact O-N 3.26Å; L120-T123 VanDerWaalsContact O-CB 3.3Å; L120-T123 WeakPolarHBondContact O-CB 3.46Å; L120-T123 PolarHBondContact O-N 3.42Å; L120-Y124 WeakPolarHBondContact O-CD2 3.27Å; L120-Y124 PolarHBondContact O-N 2.69Å
121	L	89.4	Confident	83	Confident	37 Å²	37	80.5 Å²	80.5	19%	0.194	45%	0.452	C	S	.	.	H	α-helix	trans	-60.5	-46.2	179.6	-68.5	167.2	0	0	0	111.7	V117 T118 T123 Y124 D125 L138 L139	V117-L121 HydrophobicContact CG1-CD1 3.77Å; V117-L121 HydrophobicContact CG1-CG 4.38Å; V117-L121 WeakPolarHBondContact O-CB 3.47Å; V117-L121 VanDerWaalsContact O-CG 3.24Å; V117-L121 WeakPolarHBondContact O-CG 3.38Å; V117-L121 PolarHBondContact O-N 2.74Å; T118-L121 PolarHBondContact O-N 2.87Å; L121-T123 PolarHBondContact O-N 3.14Å; L121-T123 VanDerWaalsContact O-N 3.11Å; L121-Y124 CarbonylContact O-C 3.59Å; L121-Y124 PolarHBondContact O-N 2.97Å; L121-D125 VanDerWaalsContact O-CG 3.31Å; L121-D125 PolarHBondContact O-N 2.84Å; L121-L138 HydrophobicContact CD1-CD2 4.13Å; L121-L139 HydrophobicContact CD1-CD1 4.14Å; L121-L139 HydrophobicContact CD1-CD2 3.91Å; L121-L139 HydrophobicContact CD1-CG 3.79Å
122	S	85.2	Confident	82.4	Confident	80 Å²	80	82.9 Å²	82.9	56%	0.559	46%	0.464	S	S	*	.	H	α-helix	trans	-63.7	-16.5	175.2	-59.2	0	0	0	0	114.4	T118 L120 D125	T118-S122 PolarHBondContact O-N 3.38Å; T118-S122 PolarHBondContact O-OG 3.38Å; L120-S122 PolarHBondContact O-N 3.26Å; S122-D125 WeakPolarHBondContact CA-OD2 3.44Å
123	T	84.8	Confident	82	Confident	91 Å²	91	83 Å²	83	56%	0.558	46%	0.462	S	S	*	.	H	α-helix	trans	-79.8	-22.2	171.3	-51.4	0	0	0	0	112.1	R119 L120 L121	R119-T123 PolarHBondContact O-N 3.43Å; R119-T123 PolarHBondContact O-OG1 3.01Å; L120-T123 VanDerWaalsContact O-CB 3.3Å; L120-T123 WeakPolarHBondContact O-CB 3.46Å; L120-T123 PolarHBondContact O-N 3.42Å; L121-T123 PolarHBondContact O-N 3.14Å; L121-T123 VanDerWaalsContact O-N 3.11Å
124	Y	75.2	Confident	81.5	Confident	156 Å²	156	85.5 Å²	85.5	61%	0.612	47%	0.47	S	S	*	.	H	α-helix	trans	-111.1	-16.3	-176.3	-67.4	-65.9	0	0	0	115.3	L120 L121 G126 I127	L120-Y124 WeakPolarHBondContact O-CD2 3.27Å; L120-Y124 PolarHBondContact O-N 2.69Å; L121-Y124 CarbonylContact O-C 3.59Å; L121-Y124 PolarHBondContact O-N 2.97Å; Y124-G126 PolarHBondContact O-N 2.88Å; Y124-I127 PolarHBondContact O-N 2.97Å
125	D	68.3	Low	81.2	Confident	50 Å²	50	85.6 Å²	85.6	27%	0.267	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.8	-177.2	-77.8	-45.5	0	0	0	113.7	L121 S122 I127 S135	L121-D125 VanDerWaalsContact O-CG 3.31Å; L121-D125 PolarHBondContact O-N 2.84Å; S122-D125 WeakPolarHBondContact CA-OD2 3.44Å; D125-I127 VanDerWaalsContact C-N 3.27Å; D125-I127 PolarHBondContact O-N 3.01Å; D125-S135 WeakPolarHBondContact OD1-CB 3.33Å; D125-S135 PolarHBondContact OD1-OG 3.18Å
126	G	64.1	Low	81	Confident	83 Å²	83	84.9 Å²	84.9	86%	0.856	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-4.9	-179.4	0	0	0	0	0	117	Y124	Y124-G126 PolarHBondContact O-N 2.88Å
127	I	64.4	Low	80.8	Confident	131 Å²	131	86.3 Å²	86.3	67%	0.672	47%	0.467	S	S	*	.	S	Bend	trans	-107.3	-31.2	-171.8	-52.4	-179	0	0	0	113.5	Y124 D125	Y124-I127 PolarHBondContact O-N 2.97Å; D125-I127 VanDerWaalsContact C-N 3.27Å; D125-I127 PolarHBondContact O-N 3.01Å
128	N	65.4	Low	80.8	Confident	98 Å²	98	87.8 Å²	87.8	52%	0.524	47%	0.473	S	S	.	.			trans	-145	122.5	-174.4	-71.4	-76.6	0	0	0	113.1	S130 G131 Q132	N128-S130 VanDerWaalsContact C-N 3.25Å; N128-S130 PolarHBondContact O-N 3.17Å; N128-G131 WeakPolarHBondContact O-CA 3.3Å; N128-G131 PolarHBondContact O-N 3.19Å; N128-Q132 PolarHBondContact O-N 2.87Å
129	I	64.3	Low	80.9	Confident	147 Å²	147	87.1 Å²	87.1	75%	0.754	47%	0.467	S	S	*	.	H	α-helix	trans	-59.9	-35.9	173.8	-58	173	0	0	0	111.5	G131 Q132 E133	I129-G131 PolarHBondContact O-N 2.72Å; I129-Q132 WeakPolarHBondContact O-CB 3.26Å; I129-Q132 PolarHBondContact O-N 3.4Å; I129-E133 PolarHBondContact O-N 3.09Å
130	S	69.7	Low	81.1	Confident	96 Å²	96	85 Å²	85	67%	0.671	47%	0.465	S	S	*	.	H	α-helix	trans	-65.5	-26.1	172.9	50	0	0	0	0	113.4	N128	N128-S130 VanDerWaalsContact C-N 3.25Å; N128-S130 PolarHBondContact O-N 3.17Å
131	G	77.7	Confident	81.3	Confident	28 Å²	28	85.9 Å²	85.9	29%	0.289	47%	0.468	S	S	.	.	H	α-helix	trans	-70.2	-39.8	171.4	0	0	0	0	0	112	N128 I129 E133 L134 S135	N128-G131 WeakPolarHBondContact O-CA 3.3Å; N128-G131 PolarHBondContact O-N 3.19Å; I129-G131 PolarHBondContact O-N 2.72Å; G131-E133 PolarHBondContact O-N 3.03Å; G131-L134 CarbonylContact O-C 3.58Å; G131-L134 WeakPolarHBondContact O-CB 3.18Å; G131-L134 PolarHBondContact O-N 3.26Å; G131-L134 VanDerWaalsContact O-N 3.09Å; G131-S135 PolarHBondContact O-N 3.37Å; G131-S135 PolarHBondContact O-OG 3.25Å
132	Q	81.5	Confident	81.6	Confident	112 Å²	112	85.7 Å²	85.7	52%	0.523	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-38.8	-178.4	-166.7	178.5	26.4	0	0	113	N128 I129 S135 R136	N128-Q132 PolarHBondContact O-N 2.87Å; I129-Q132 WeakPolarHBondContact O-CB 3.26Å; I129-Q132 PolarHBondContact O-N 3.4Å; Q132-S135 WeakPolarHBondContact CA-OG 3.24Å; Q132-S135 PolarHBondContact O-OG 3.48Å; Q132-R136 VanDerWaalsContact O-CB 3.25Å; Q132-R136 WeakPolarHBondContact O-CB 3.41Å; Q132-R136 PolarHBondContact O-N 3.18Å
133	E	85.5	Confident	82.1	Confident	91 Å²	91	85.6 Å²	85.6	43%	0.425	46%	0.457	S	S	.	.	H	α-helix	trans	-69.9	-34.2	173.5	-85.9	-64.5	114.5	0	0	112.2	I129 G131 R136 H137	I129-E133 PolarHBondContact O-N 3.09Å; G131-E133 PolarHBondContact O-N 3.03Å; E133-R136 IonicContact OE1-CZ 3.49Å; E133-R136 IonicContact OE1-NE 3.48Å; E133-R136 PolarHBondContact OE1-NE 2.89Å; E133-R136 IonicContact OE1-NH2 2.77Å; E133-R136 PolarHBondContact OE1-NH2 2.9Å; E133-R136 IonicContact OE2-CZ 2.72Å; E133-R136 IonicContact OE2-NE 3.89Å; E133-R136 PolarHBondContact OE2-NE 2.96Å; E133-R136 IonicContact OE2-NH2 2.69Å; E133-R136 PolarHBondContact OE2-NH2 3.3Å; E133-H137 PolarHBondContact O-N 2.96Å; E133-H137 PolarHBondContact O-ND1 3.39Å; E133-H137 IonicContact OE2-CE1 3.23Å; E133-H137 PolarHBondContact OE2-CE1 3.43Å; E133-H137 VanDerWaalsContact OE2-CE1 3.23Å; E133-H137 IonicContact OE2-ND1 3.72Å
134	L	85.5	Confident	82.6	Confident	122 Å²	122	85.9 Å²	85.9	64%	0.639	45%	0.452	S	S	*	.	H	α-helix	trans	-69.3	-42.9	174.5	-178.5	61.5	0	0	0	111.7	G131 H137 L138	G131-L134 CarbonylContact O-C 3.58Å; G131-L134 WeakPolarHBondContact O-CB 3.18Å; G131-L134 PolarHBondContact O-N 3.26Å; G131-L134 VanDerWaalsContact O-N 3.09Å; L134-H137 PolarHBondContact O-N 3.31Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.48Å; L134-L138 PolarHBondContact O-N 3.27Å
135	S	89.7	Confident	83.5	Confident	8 Å²	8	79.4 Å²	79.4	6%	0.056	43%	0.429	C	S	.	.	H	α-helix	trans	-63.1	-44	176.4	66.3	0	0	0	0	110.6	D125 G131 Q132 H137 L138 L139	D125-S135 WeakPolarHBondContact OD1-CB 3.33Å; D125-S135 PolarHBondContact OD1-OG 3.18Å; G131-S135 PolarHBondContact O-N 3.37Å; G131-S135 PolarHBondContact O-OG 3.25Å; Q132-S135 WeakPolarHBondContact CA-OG 3.24Å; Q132-S135 PolarHBondContact O-OG 3.48Å; S135-H137 PolarHBondContact O-N 3.33Å; S135-L138 PolarHBondContact O-N 3.49Å; S135-L139 WeakPolarHBondContact O-CB 3.32Å; S135-L139 WeakPolarHBondContact O-CG 3.43Å; S135-L139 PolarHBondContact O-N 2.97Å
136	R	89.9	Confident	84.7	Confident	104 Å²	104	78.8 Å²	78.8	39%	0.392	43%	0.425	S	S	.	.	H	α-helix	trans	-58.3	-45.8	172.7	-167.1	-173	65.1	65.4	2.3	112.6	Q132 E133 N140	Q132-R136 VanDerWaalsContact O-CB 3.25Å; Q132-R136 WeakPolarHBondContact O-CB 3.41Å; Q132-R136 PolarHBondContact O-N 3.18Å; E133-R136 IonicContact OE1-CZ 3.49Å; E133-R136 IonicContact OE1-NE 3.48Å; E133-R136 PolarHBondContact OE1-NE 2.89Å; E133-R136 IonicContact OE1-NH2 2.77Å; E133-R136 PolarHBondContact OE1-NH2 2.9Å; E133-R136 IonicContact OE2-CZ 2.72Å; E133-R136 IonicContact OE2-NE 3.89Å; E133-R136 PolarHBondContact OE2-NE 2.96Å; E133-R136 IonicContact OE2-NH2 2.69Å; E133-R136 PolarHBondContact OE2-NH2 3.3Å; R136-N140 WeakPolarHBondContact O-CB 3.5Å; R136-N140 PolarHBondContact O-N 3Å; R136-N140 VanDerWaalsContact O-N 3.1Å; R136-N140 PolarHBondContact O-ND2 3.17Å
137	H	91.2	Very high	86.1	Confident	107 Å²	107	82.2 Å²	82.2	50%	0.495	42%	0.416	S	S	.	.	H	α-helix	trans	-68.3	-41.8	178	-75.5	102.6	0	0	0	112.5	E133 L134 S135 N140 H141	E133-H137 PolarHBondContact O-N 2.96Å; E133-H137 PolarHBondContact O-ND1 3.39Å; E133-H137 IonicContact OE2-CE1 3.23Å; E133-H137 PolarHBondContact OE2-CE1 3.43Å; E133-H137 VanDerWaalsContact OE2-CE1 3.23Å; E133-H137 IonicContact OE2-ND1 3.72Å; L134-H137 PolarHBondContact O-N 3.31Å; S135-H137 PolarHBondContact O-N 3.33Å; H137-N140 PolarHBondContact O-N 3.29Å; H137-H141 PolarHBondContact O-N 2.94Å
138	L	92.4	Very high	87.5	Confident	69 Å²	69	80.6 Å²	80.6	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-48.8	178.4	177	56.8	0	0	0	111.5	V117 L121 L134 S135 N140 H141 L142	V117-L138 HydrophobicContact CG1-CD2 4.49Å; L121-L138 HydrophobicContact CD1-CD2 4.13Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.48Å; L134-L138 PolarHBondContact O-N 3.27Å; S135-L138 PolarHBondContact O-N 3.49Å; L138-N140 PolarHBondContact O-N 3.05Å; L138-H141 WeakPolarHBondContact O-CB 3.41Å; L138-H141 PolarHBondContact O-N 3Å; L138-L142 HydrophobicContact CD1-CD1 3.95Å; L138-L142 HydrophobicContact CD1-CG 4.1Å; L138-L142 HydrophobicContact CG-CD1 4.05Å; L138-L142 WeakPolarHBondContact O-CG 3.38Å; L138-L142 PolarHBondContact O-N 2.87Å
139	L	94.5	Very high	88.7	Confident	28 Å²	28	80.8 Å²	80.8	15%	0.147	40%	0.399	C	S	.	.	H	α-helix	trans	-63.2	-41.4	177.2	-69.3	175.4	0	0	0	111.8	L114 V117 T118 L121 S135 H141 L142 H143	L114-L139 HydrophobicContact CD1-CD2 4.07Å; V117-L139 HydrophobicContact CG1-CD2 4.35Å; T118-L139 HydrophobicContact CG2-CD1 4.21Å; T118-L139 HydrophobicContact CG2-CD2 4.4Å; T118-L139 VanDerWaalsContact OG1-CD2 3.27Å; T118-L139 WeakPolarHBondContact OG1-CD2 3.37Å; L121-L139 HydrophobicContact CD1-CD1 4.14Å; L121-L139 HydrophobicContact CD1-CD2 3.91Å; L121-L139 HydrophobicContact CD1-CG 3.79Å; S135-L139 WeakPolarHBondContact O-CB 3.32Å; S135-L139 WeakPolarHBondContact O-CG 3.43Å; S135-L139 PolarHBondContact O-N 2.97Å; L139-H141 VanDerWaalsContact C-N 3.31Å; L139-H141 PolarHBondContact O-N 3.4Å; L139-L142 PolarHBondContact O-N 3.42Å; L139-H143 PolarHBondContact O-N 2.71Å; L139-H143 PolarHBondContact O-ND1 3.21Å
140	N	94.6	Very high	90	Very high	80 Å²	80	75.1 Å²	75.1	43%	0.428	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-37.4	174.2	-83.3	-65.5	0	0	0	112.4	R136 H137 L138 Q144	R136-N140 WeakPolarHBondContact O-CB 3.5Å; R136-N140 PolarHBondContact O-N 3Å; R136-N140 VanDerWaalsContact O-N 3.1Å; R136-N140 PolarHBondContact O-ND2 3.17Å; H137-N140 PolarHBondContact O-N 3.29Å; L138-N140 PolarHBondContact O-N 3.05Å; N140-Q144 WeakPolarHBondContact O-CG 3.19Å; N140-Q144 PolarHBondContact O-N 3.37Å; N140-Q144 PolarHBondContact O-NE2 3.42Å
141	H	94.6	Very high	91	Very high	86 Å²	86	75.5 Å²	75.5	40%	0.398	36%	0.364	S	S	.	.	H	α-helix	trans	-66.3	-46.7	174.4	177.9	55.5	0	0	0	111.8	H137 L138 L139 H143 Q144 C145	H137-H141 PolarHBondContact O-N 2.94Å; L138-H141 WeakPolarHBondContact O-CB 3.41Å; L138-H141 PolarHBondContact O-N 3Å; L139-H141 VanDerWaalsContact C-N 3.31Å; L139-H141 PolarHBondContact O-N 3.4Å; H141-H143 PolarHBondContact O-N 3.01Å; H141-Q144 WeakPolarHBondContact O-CB 3.37Å; H141-Q144 PolarHBondContact O-N 2.99Å; H141-Q144 VanDerWaalsContact O-N 3.09Å; H141-C145 PolarHBondContact CE1-SG 2.97Å; H141-C145 PolarHBondContact O-N 3.01Å; H141-C145 PolarHBondContact O-SG 3.48Å; H141-C145 VanDerWaalsContact O-SG 3.37Å
142	L	95.5	Very high	91.6	Very high	33 Å²	33	78 Å²	78	17%	0.173	37%	0.369	C	S	.	.	H	α-helix	trans	-65	-39.2	-178.9	-66.1	171.1	0	0	0	112.8	F110 L114 V117 L138 L139 Q144 C145 E146	F110-L142 HydrophobicContact CZ-CD2 4.17Å; L114-L142 HydrophobicContact CD1-CB 3.56Å; L114-L142 HydrophobicContact CD1-CD1 4Å; L114-L142 HydrophobicContact CD1-CG 4.43Å; L114-L142 HydrophobicContact CD2-CB 4.44Å; V117-L142 HydrophobicContact CB-CD1 4.45Å; V117-L142 HydrophobicContact CG1-CD1 3.81Å; L138-L142 HydrophobicContact CD1-CD1 3.95Å; L138-L142 HydrophobicContact CD1-CG 4.1Å; L138-L142 HydrophobicContact CG-CD1 4.05Å; L138-L142 WeakPolarHBondContact O-CG 3.38Å; L138-L142 PolarHBondContact O-N 2.87Å; L139-L142 PolarHBondContact O-N 3.42Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 2.87Å; L142-C145 CarbonylContact O-C 3.56Å; L142-C145 PolarHBondContact O-N 3.05Å; L142-E146 PolarHBondContact O-N 3.45Å
143	H	95.3	Very high	92	Very high	77 Å²	77	73.4 Å²	73.4	36%	0.356	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-31.8	171.8	-70.6	113.9	0	0	0	112.9	L139 H141 E146 K147	L139-H143 PolarHBondContact O-N 2.71Å; L139-H143 PolarHBondContact O-ND1 3.21Å; H141-H143 PolarHBondContact O-N 3.01Å; H143-E146 IonicContact CD2-OE2 3.03Å; H143-E146 WeakPolarHBondContact O-CB 3.24Å; H143-K147 WeakPolarHBondContact O-CG 3.44Å; H143-K147 PolarHBondContact O-N 3.11Å; H143-K147 VanDerWaalsContact O-N 3.12Å
144	Q	95.1	Very high	92	Very high	98 Å²	98	73.8 Å²	73.8	46%	0.458	35%	0.349	S	S	.	.	H	α-helix	trans	-69.7	-42	172.1	-73.9	167.3	91.2	0	0	111.1	N140 H141 L142 E146 K147 Q148	N140-Q144 WeakPolarHBondContact O-CG 3.19Å; N140-Q144 PolarHBondContact O-N 3.37Å; N140-Q144 PolarHBondContact O-NE2 3.42Å; H141-Q144 WeakPolarHBondContact O-CB 3.37Å; H141-Q144 PolarHBondContact O-N 2.99Å; H141-Q144 VanDerWaalsContact O-N 3.09Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 2.87Å; Q144-E146 VanDerWaalsContact C-N 3.29Å; Q144-E146 PolarHBondContact O-N 3.37Å; Q144-K147 PolarHBondContact O-N 3.03Å; Q144-Q148 WeakPolarHBondContact O-CB 3.45Å; Q144-Q148 PolarHBondContact O-N 3.39Å
145	C	94.6	Very high	92.3	Very high	19 Å²	19	71.4 Å²	71.4	13%	0.128	34%	0.339	C	S	.	.	H	α-helix	trans	-66.1	-28.5	174.2	-63.2	0	0	0	0	113.3	F110 H141 L142 R149	F110-C145 HydrophobicContact CZ-CB 4.31Å; H141-C145 PolarHBondContact CE1-SG 2.97Å; H141-C145 PolarHBondContact O-N 3.01Å; H141-C145 PolarHBondContact O-SG 3.48Å; H141-C145 VanDerWaalsContact O-SG 3.37Å; L142-C145 CarbonylContact O-C 3.56Å; L142-C145 PolarHBondContact O-N 3.05Å; C145-R149 WeakPolarHBondContact O-CG 3.49Å; C145-R149 PolarHBondContact O-N 3.41Å; C145-R149 PolarHBondContact O-NH1 3.23Å
146	E	94.4	Very high	92.2	Very high	37 Å²	37	75.3 Å²	75.3	17%	0.173	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-56.5	170.3	-168.3	-163.8	170.9	0	0	110.5	F110 K111 L114 L142 H143 Q144 Q148 R149 D150	F110-E146 HydrophobicContact CD1-CB 4.28Å; F110-E146 HydrophobicContact CD1-CG 4.35Å; F110-E146 HydrophobicContact CE1-CB 3.92Å; F110-E146 HydrophobicContact CE1-CG 4.45Å; K111-E146 HydrophobicContact CG-CG 4.33Å; K111-E146 IonicContact NZ-OE1 3.73Å; K111-E146 PolarHBondContact NZ-OE1 3.31Å; L114-E146 HydrophobicContact CD2-CB 4.25Å; L114-E146 HydrophobicContact CD2-CG 4.5Å; L142-E146 PolarHBondContact O-N 3.45Å; H143-E146 IonicContact CD2-OE2 3.03Å; H143-E146 WeakPolarHBondContact O-CB 3.24Å; Q144-E146 VanDerWaalsContact C-N 3.29Å; Q144-E146 PolarHBondContact O-N 3.37Å; E146-Q148 VanDerWaalsContact C-N 3.27Å; E146-Q148 PolarHBondContact O-N 3.12Å; E146-R149 PolarHBondContact O-N 3.14Å; E146-R149 VanDerWaalsContact O-N 3.16Å; E146-D150 WeakPolarHBondContact O-CB 3.37Å; E146-D150 PolarHBondContact O-N 2.75Å
147	K	92.8	Very high	92	Very high	156 Å²	156	70.4 Å²	70.4	68%	0.678	34%	0.335	S	S	*	.	H	α-helix	trans	-57.3	-39.5	-179.9	-71.6	177.1	-179.1	-174.1	0	112.3	H143 Q144 L151	H143-K147 WeakPolarHBondContact O-CG 3.44Å; H143-K147 PolarHBondContact O-N 3.11Å; H143-K147 VanDerWaalsContact O-N 3.12Å; Q144-K147 PolarHBondContact O-N 3.03Å; K147-L151 PolarHBondContact O-N 3.21Å; K147-L151 VanDerWaalsContact O-N 3.07Å
148	Q	92.6	Very high	91.7	Very high	97 Å²	97	66.9 Å²	66.9	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-50.4	175.7	-177.7	61	24.6	0	0	112.1	Q144 E146 D150 L151 E152	Q144-Q148 WeakPolarHBondContact O-CB 3.45Å; Q144-Q148 PolarHBondContact O-N 3.39Å; E146-Q148 VanDerWaalsContact C-N 3.27Å; E146-Q148 PolarHBondContact O-N 3.12Å; Q148-D150 VanDerWaalsContact C-N 3.32Å; Q148-D150 PolarHBondContact O-N 3.3Å; Q148-L151 PolarHBondContact O-N 2.89Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.4Å; Q148-E152 PolarHBondContact NE2-OE1 3.24Å; Q148-E152 WeakPolarHBondContact O-CG 3.33Å; Q148-E152 PolarHBondContact O-N 2.71Å
149	R	91.7	Very high	91.3	Very high	101 Å²	101	68.2 Å²	68.2	38%	0.381	33%	0.332	S	S	.	.	H	α-helix	trans	-67.3	-32.3	179.2	-70.4	-172.2	-160.5	96.1	-12	113.1	F110 C145 E146 T153	F110-R149 VanDerWaalsContact CE1-NH1 3.27Å; C145-R149 WeakPolarHBondContact O-CG 3.49Å; C145-R149 PolarHBondContact O-N 3.41Å; C145-R149 PolarHBondContact O-NH1 3.23Å; E146-R149 PolarHBondContact O-N 3.14Å; E146-R149 VanDerWaalsContact O-N 3.16Å; R149-T153 WeakPolarHBondContact O-CB 3.5Å; R149-T153 PolarHBondContact O-N 3Å; R149-T153 PolarHBondContact O-OG1 3.46Å
150	D	91.1	Very high	90.7	Very high	29 Å²	29	67.7 Å²	67.7	16%	0.155	33%	0.329	C	S	.	.	H	α-helix	trans	-65.7	-38.6	174.2	-85.2	21.1	0	0	0	111.2	R107 K111 E146 Q148 K154	R107-D150 IonicContact CZ-OD1 3.61Å; R107-D150 IonicContact CZ-OD2 3.49Å; R107-D150 VanDerWaalsContact NE-CG 3.28Å; R107-D150 IonicContact NE-OD1 3.47Å; R107-D150 PolarHBondContact NE-OD1 3.09Å; R107-D150 IonicContact NE-OD2 3.56Å; R107-D150 IonicContact NH2-OD1 2.76Å; R107-D150 PolarHBondContact NH2-OD1 3.34Å; R107-D150 IonicContact NH2-OD2 3.71Å; R107-D150 PolarHBondContact NH2-OD2 3.08Å; K111-D150 IonicContact NZ-OD1 2.85Å; K111-D150 IonicContact NZ-OD2 2.64Å; K111-D150 PolarHBondContact NZ-OD2 2.86Å; E146-D150 WeakPolarHBondContact O-CB 3.37Å; E146-D150 PolarHBondContact O-N 2.75Å; Q148-D150 VanDerWaalsContact C-N 3.32Å; Q148-D150 PolarHBondContact O-N 3.3Å; D150-K154 WeakPolarHBondContact O-CG 3.42Å; D150-K154 PolarHBondContact O-N 3.46Å
151	L	90.7	Very high	90	Very high	104 Å²	104	64.5 Å²	64.5	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-71	-47.2	174.6	179.2	61.6	0	0	0	112.8	K147 Q148 T153 K154 T155	K147-L151 PolarHBondContact O-N 3.21Å; K147-L151 VanDerWaalsContact O-N 3.07Å; Q148-L151 PolarHBondContact O-N 2.89Å; L151-T153 VanDerWaalsContact C-N 3.26Å; L151-T153 PolarHBondContact O-N 3.43Å; L151-K154 PolarHBondContact O-N 2.89Å; L151-T155 PolarHBondContact O-N 3.29Å; L151-T155 PolarHBondContact O-OG1 3.41Å
152	E	90.2	Very high	89.3	Confident	80 Å²	80	64.1 Å²	64.1	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-56	-44	175	-73.8	170.1	-178.1	0	0	110.9	Q148 T155 Y156	Q148-E152 WeakPolarHBondContact CG-OE1 3.4Å; Q148-E152 PolarHBondContact NE2-OE1 3.24Å; Q148-E152 WeakPolarHBondContact O-CG 3.33Å; Q148-E152 PolarHBondContact O-N 2.71Å; E152-T155 PolarHBondContact O-N 3.4Å; E152-Y156 WeakPolarHBondContact O-CB 3.37Å; E152-Y156 PolarHBondContact O-N 2.97Å
153	T	89.1	Confident	88.5	Confident	16 Å²	16	66.7 Å²	66.7	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-61.6	-50.9	174.5	-68.9	0	0	0	0	112.6	I103 R107 R149 L151 T155 Y156 L157	I103-T153 HydrophobicContact CG2-CG2 3.33Å; R107-T153 VanDerWaalsContact CD-CG2 3.44Å; R107-T153 WeakPolarHBondContact CD-OG1 3.47Å; R149-T153 WeakPolarHBondContact O-CB 3.5Å; R149-T153 PolarHBondContact O-N 3Å; R149-T153 PolarHBondContact O-OG1 3.46Å; L151-T153 VanDerWaalsContact C-N 3.26Å; L151-T153 PolarHBondContact O-N 3.43Å; T153-T155 PolarHBondContact O-N 2.87Å; T153-Y156 PolarHBondContact O-N 3.44Å; T153-Y156 VanDerWaalsContact O-N 3.09Å; T153-L157 HydrophobicContact CG2-CD1 3.57Å; T153-L157 HydrophobicContact CG2-CG 4.01Å; T153-L157 WeakPolarHBondContact O-CG 3.37Å; T153-L157 PolarHBondContact O-N 2.91Å
154	K	87.5	Confident	87.6	Confident	99 Å²	99	63.3 Å²	63.3	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-55.5	-41.4	179.5	-78.7	178.1	177.6	-168.5	0	110.6	D150 L151 A158 I428	D150-K154 WeakPolarHBondContact O-CG 3.42Å; D150-K154 PolarHBondContact O-N 3.46Å; L151-K154 PolarHBondContact O-N 2.89Å; K154-A158 VanDerWaalsContact O-CB 3.27Å; K154-A158 WeakPolarHBondContact O-CB 3.37Å; K154-A158 PolarHBondContact O-N 3.16Å; K154-I428 HydrophobicContact CG-CG2 4.23Å
155	T	90.3	Very high	86.6	Confident	72 Å²	72	63.4 Å²	63.4	44%	0.442	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-45.4	176	-52.8	0	0	0	0	112.1	L151 E152 T153 A158 N159	L151-T155 PolarHBondContact O-N 3.29Å; L151-T155 PolarHBondContact O-OG1 3.41Å; E152-T155 PolarHBondContact O-N 3.4Å; T153-T155 PolarHBondContact O-N 2.87Å; T155-A158 PolarHBondContact O-N 3.28Å; T155-N159 VanDerWaalsContact O-CG 3.27Å; T155-N159 PolarHBondContact O-N 3.23Å; T155-N159 PolarHBondContact O-ND2 2.95Å
156	Y	88.4	Confident	85.7	Confident	89 Å²	89	65.5 Å²	65.5	35%	0.349	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-43.2	-179.3	-166.5	-97.1	0	0	0	112.8	E99 I103 E152 T153 N159 I160	E99-Y156 HydrophobicContact CG-CE1 4.34Å; E99-Y156 PolarHBondContact OE1-OH 3.43Å; I103-Y156 HydrophobicContact CD1-CD1 3.5Å; I103-Y156 HydrophobicContact CD1-CE1 3.71Å; E152-Y156 WeakPolarHBondContact O-CB 3.37Å; E152-Y156 PolarHBondContact O-N 2.97Å; T153-Y156 PolarHBondContact O-N 3.44Å; T153-Y156 VanDerWaalsContact O-N 3.09Å; Y156-N159 WeakPolarHBondContact O-CB 3.41Å; Y156-N159 PolarHBondContact O-N 3.03Å; Y156-I160 HydrophobicContact CD1-CD1 3.73Å; Y156-I160 HydrophobicContact CD1-CG1 4.45Å; Y156-I160 HydrophobicContact CE1-CD1 3.45Å; Y156-I160 VanDerWaalsContact CE1-CD1 3.45Å; Y156-I160 HydrophobicContact CE1-CG1 4.27Å; Y156-I160 PolarHBondContact O-N 2.91Å
157	L	85.5	Confident	84.6	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-36.5	175.7	-64.2	177.4	0	0	0	111.9	A100 I103 T153 I160 A161 I428	A100-L157 HydrophobicContact CB-CD2 3.85Å; I103-L157 HydrophobicContact CD1-CD2 3.71Å; T153-L157 HydrophobicContact CG2-CD1 3.57Å; T153-L157 HydrophobicContact CG2-CG 4.01Å; T153-L157 WeakPolarHBondContact O-CG 3.37Å; T153-L157 PolarHBondContact O-N 2.91Å; L157-I160 PolarHBondContact O-N 2.82Å; L157-A161 WeakPolarHBondContact O-CB 3.38Å; L157-A161 PolarHBondContact O-N 2.93Å; L157-I428 HydrophobicContact CB-CD1 4.44Å; L157-I428 HydrophobicContact CD1-CD1 3.91Å
158	A	84.5	Confident	83.4	Confident	33 Å²	33	65 Å²	65	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-39.2	172.5	0	0	0	0	0	112.2	K154 T155 A161 S162 V429	K154-A158 VanDerWaalsContact O-CB 3.27Å; K154-A158 WeakPolarHBondContact O-CB 3.37Å; K154-A158 PolarHBondContact O-N 3.16Å; T155-A158 PolarHBondContact O-N 3.28Å; A158-A161 PolarHBondContact O-N 2.93Å; A158-S162 WeakPolarHBondContact O-CB 3.44Å; A158-S162 PolarHBondContact O-N 3.22Å; A158-V429 HydrophobicContact CB-CG2 4.18Å
159	N	85.3	Confident	81.9	Confident	97 Å²	97	64 Å²	64	52%	0.519	35%	0.346	S	S	.	.	H	α-helix	trans	-63.1	-45.3	173.3	-71.4	-25.3	0	0	0	111.6	T155 Y156 A161 S162 V163	T155-N159 VanDerWaalsContact O-CG 3.27Å; T155-N159 PolarHBondContact O-N 3.23Å; T155-N159 PolarHBondContact O-ND2 2.95Å; Y156-N159 WeakPolarHBondContact O-CB 3.41Å; Y156-N159 PolarHBondContact O-N 3.03Å; N159-A161 PolarHBondContact O-N 2.95Å; N159-S162 WeakPolarHBondContact O-CB 3.34Å; N159-S162 PolarHBondContact O-N 3.34Å; N159-V163 WeakPolarHBondContact O-CG2 3.42Å; N159-V163 PolarHBondContact O-N 3.38Å
160	I	81.8	Confident	80.4	Confident	17 Å²	17	65.5 Å²	65.5	9%	0.087	36%	0.355	C	S	.	.	H	α-helix	trans	-57.9	-47.6	173.5	-76.4	173.2	0	0	0	111.2	L96 E99 Y156 L157 S162 V163 A164	L96-I160 HydrophobicContact CB-CG2 3.95Å; L96-I160 HydrophobicContact CD1-CG2 4.18Å; L96-I160 HydrophobicContact CD2-CG2 4.16Å; L96-I160 HydrophobicContact CG-CG2 4.32Å; E99-I160 HydrophobicContact CG-CD1 3.78Å; E99-I160 WeakPolarHBondContact OE2-CD1 3.21Å; Y156-I160 HydrophobicContact CD1-CD1 3.73Å; Y156-I160 HydrophobicContact CD1-CG1 4.45Å; Y156-I160 HydrophobicContact CE1-CD1 3.45Å; Y156-I160 VanDerWaalsContact CE1-CD1 3.45Å; Y156-I160 HydrophobicContact CE1-CG1 4.27Å; Y156-I160 PolarHBondContact O-N 2.91Å; L157-I160 PolarHBondContact O-N 2.82Å; I160-S162 VanDerWaalsContact C-N 3.33Å; I160-S162 PolarHBondContact O-N 2.97Å; I160-V163 PolarHBondContact O-N 2.91Å; I160-A164 WeakPolarHBondContact O-CB 3.38Å; I160-A164 PolarHBondContact O-N 3.4Å
161	A	79.2	Confident	78.8	Confident	13 Å²	13	68.2 Å²	68.2	11%	0.107	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-40.7	178.5	0	0	0	0	0	112.2	L157 A158 N159 A164 N165 L425	L157-A161 WeakPolarHBondContact O-CB 3.38Å; L157-A161 PolarHBondContact O-N 2.93Å; A158-A161 PolarHBondContact O-N 2.93Å; N159-A161 PolarHBondContact O-N 2.95Å; A161-A164 WeakPolarHBondContact O-CB 3.48Å; A161-A164 PolarHBondContact O-N 3.02Å; A161-N165 WeakPolarHBondContact O-CB 3.37Å; A161-N165 PolarHBondContact O-N 3.19Å; A161-N165 PolarHBondContact O-ND2 3Å; A161-L425 HydrophobicContact CB-CB 3.88Å; A161-L425 HydrophobicContact CB-CD1 3.94Å; A161-L425 HydrophobicContact CB-CD2 4.38Å; A161-L425 HydrophobicContact CB-CG 4.28Å
162	S	80.4	Confident	77.1	Confident	77 Å²	77	69.5 Å²	69.5	54%	0.538	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-47.4	175.6	-173.5	0	0	0	0	111.8	A158 N159 I160 A164 N165 A166	A158-S162 WeakPolarHBondContact O-CB 3.44Å; A158-S162 PolarHBondContact O-N 3.22Å; N159-S162 WeakPolarHBondContact O-CB 3.34Å; N159-S162 PolarHBondContact O-N 3.34Å; I160-S162 VanDerWaalsContact C-N 3.33Å; I160-S162 PolarHBondContact O-N 2.97Å; S162-A164 PolarHBondContact O-N 2.99Å; S162-N165 PolarHBondContact O-N 3.39Å; S162-A166 WeakPolarHBondContact O-CB 3.39Å; S162-A166 PolarHBondContact O-N 3.18Å
163	V	78.6	Confident	75.3	Confident	87 Å²	87	70.2 Å²	70.2	53%	0.527	39%	0.394	S	S	.	.	H	α-helix	trans	-64.6	-38.9	177	171.9	0	0	0	0	111.6	N159 I160 M167	N159-V163 WeakPolarHBondContact O-CG2 3.42Å; N159-V163 PolarHBondContact O-N 3.38Å; I160-V163 PolarHBondContact O-N 2.91Å; V163-M167 HydrophobicContact CG1-CE 4.14Å; V163-M167 WeakPolarHBondContact O-CG 3.25Å; V163-M167 PolarHBondContact O-N 2.8Å; V163-M167 VanDerWaalsContact O-N 3.09Å
164	A	74.8	Confident	73.6	Confident	6 Å²	6	73 Å²	73	5%	0.05	42%	0.415	C	S	.	.	H	α-helix	trans	-58.7	-53.8	172.7	0	0	0	0	0	111.4	L96 I160 A161 S162 A166 M167 Y168	L96-A164 HydrophobicContact CD1-CB 3.41Å; L96-A164 VanDerWaalsContact CD1-CB 3.41Å; I160-A164 WeakPolarHBondContact O-CB 3.38Å; I160-A164 PolarHBondContact O-N 3.4Å; A161-A164 WeakPolarHBondContact O-CB 3.48Å; A161-A164 PolarHBondContact O-N 3.02Å; S162-A164 PolarHBondContact O-N 2.99Å; A164-A166 VanDerWaalsContact C-N 3.32Å; A164-A166 PolarHBondContact O-N 3.45Å; A164-M167 WeakPolarHBondContact O-CB 3.48Å; A164-M167 PolarHBondContact O-N 3.49Å; A164-M167 VanDerWaalsContact O-N 3.1Å; A164-Y168 WeakPolarHBondContact O-CD2 3.29Å; A164-Y168 PolarHBondContact O-N 3.1Å
165	N	75.9	Confident	71.9	Confident	101 Å²	101	75.1 Å²	75.1	54%	0.54	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-39.2	-178.2	-70.7	-22.4	0	0	0	111.5	A161 S162 M167 Y168 S169	A161-N165 WeakPolarHBondContact O-CB 3.37Å; A161-N165 PolarHBondContact O-N 3.19Å; A161-N165 PolarHBondContact O-ND2 3Å; S162-N165 PolarHBondContact O-N 3.39Å; N165-M167 PolarHBondContact O-N 3.42Å; N165-Y168 PolarHBondContact O-N 3.07Å; N165-S169 WeakPolarHBondContact O-CB 3.49Å; N165-S169 PolarHBondContact O-N 3.22Å; N165-S169 PolarHBondContact O-OG 2.97Å
166	A	75.2	Confident	69.6	Low	62 Å²	62	76.9 Å²	76.9	51%	0.512	45%	0.445	S	S	.	.	H	α-helix	trans	-61.4	-40.3	173.6	0	0	0	0	0	112.8	S162 A164 K170	S162-A166 WeakPolarHBondContact O-CB 3.39Å; S162-A166 PolarHBondContact O-N 3.18Å; A164-A166 VanDerWaalsContact C-N 3.32Å; A164-A166 PolarHBondContact O-N 3.45Å; A166-K170 WeakPolarHBondContact O-CB 3.42Å; A166-K170 PolarHBondContact O-N 2.77Å
167	M	70.1	Confident	67.3	Low	80 Å²	80	78.2 Å²	78.2	39%	0.394	46%	0.463	S	S	.	.	H	α-helix	trans	-65.8	-45.3	173.8	-72.1	-171.3	-69.2	0	0	111.9	V163 A164 N165 K170 V171	V163-M167 HydrophobicContact CG1-CE 4.14Å; V163-M167 WeakPolarHBondContact O-CG 3.25Å; V163-M167 PolarHBondContact O-N 2.8Å; V163-M167 VanDerWaalsContact O-N 3.09Å; A164-M167 WeakPolarHBondContact O-CB 3.48Å; A164-M167 PolarHBondContact O-N 3.49Å; A164-M167 VanDerWaalsContact O-N 3.1Å; N165-M167 PolarHBondContact O-N 3.42Å; M167-K170 PolarHBondContact O-N 2.81Å; M167-V171 PolarHBondContact O-N 2.82Å
168	Y	67.4	Low	65.1	Low	102 Å²	102	82.5 Å²	82.5	40%	0.4	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-40.2	177.2	-77.8	-64.9	0	0	0	112.9	H90 K91 A164 N165 K170 V171	H90-Y168 PolarHBondContact O-OH 3.17Å; K91-Y168 PolarHBondContact O-OH 3.43Å; A164-Y168 WeakPolarHBondContact O-CD2 3.29Å; A164-Y168 PolarHBondContact O-N 3.1Å; N165-Y168 PolarHBondContact O-N 3.07Å; Y168-K170 VanDerWaalsContact C-N 3.32Å; Y168-K170 PolarHBondContact O-N 3.2Å; Y168-V171 WeakPolarHBondContact O-CG2 3.43Å
169	S	63	Low	63	Low	76 Å²	76	87.7 Å²	87.7	53%	0.531	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-36.8	175	-60.6	0	0	0	0	112.3	N165 S173	N165-S169 WeakPolarHBondContact O-CB 3.49Å; N165-S169 PolarHBondContact O-N 3.22Å; N165-S169 PolarHBondContact O-OG 2.97Å; S169-S173 PolarHBondContact O-N 2.8Å; S169-S173 PolarHBondContact O-OG 3.12Å
170	K	59.1	Low	60.7	Low	133 Å²	133	89.2 Å²	89.2	58%	0.578	54%	0.535	S	S	*	.	H	α-helix	trans	-70.1	-32.1	-176.9	-164.1	168.4	-177.4	177.4	0	113.2	A166 M167 Y168 S174	A166-K170 WeakPolarHBondContact O-CB 3.42Å; A166-K170 PolarHBondContact O-N 2.77Å; M167-K170 PolarHBondContact O-N 2.81Å; Y168-K170 VanDerWaalsContact C-N 3.32Å; Y168-K170 PolarHBondContact O-N 3.2Å; K170-S174 PolarHBondContact O-OG 2.98Å
171	V	57.6	Low	58.8	Low	87 Å²	87	94.4 Å²	94.4	53%	0.527	57%	0.568	S	S	.	*	H	α-helix	trans	-77.4	-27	178	-66.5	0	0	0	0	114.1	M167 Y168 S174	M167-V171 PolarHBondContact O-N 2.82Å; Y168-V171 WeakPolarHBondContact O-CG2 3.43Å; V171-S174 PolarHBondContact O-OG 3.46Å
172	N	54.6	Low	56.7	Low	130 Å²	130	99.8 Å²	99.8	70%	0.695	60%	0.599	S	S	*	*	H	α-helix	trans	-77.7	-39.4	175.2	-81.7	12.9	0	0	0	112.2	S174 N175	N172-S174 PolarHBondContact O-N 2.91Å; N172-N175 PolarHBondContact O-N 2.87Å
173	S	53	Low	54.9	Low	95 Å²	95	102 Å²	102	66%	0.664	61%	0.61	S	S	*	*	H	α-helix	trans	-65.6	-20.7	179.9	-63.7	0	0	0	0	114	S169 N175	S169-S173 PolarHBondContact O-N 2.8Å; S169-S173 PolarHBondContact O-OG 3.12Å; S173-N175 VanDerWaalsContact C-N 3.3Å; S173-N175 PolarHBondContact O-N 3.41Å
174	S	53.6	Low	52.9	Low	76 Å²	76	104.5 Å²	104.5	53%	0.531	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.2	-5.2	179.4	38.3	0	0	0	0	115.7	K170 V171 N172	K170-S174 PolarHBondContact O-OG 2.98Å; V171-S174 PolarHBondContact O-OG 3.46Å; N172-S174 PolarHBondContact O-N 2.91Å
175	N	50.9	Low	51.2	Low	143 Å²	143	110.3 Å²	110.3	77%	0.765	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	0.5	-179.3	-89.6	13.9	0	0	0	115.1	N172 S173 T177	N172-N175 PolarHBondContact O-N 2.87Å; S173-N175 VanDerWaalsContact C-N 3.3Å; S173-N175 PolarHBondContact O-N 3.41Å; N175-T177 PolarHBondContact O-N 3.33Å
176	S	42.2	Very low	49.3	Very low	108 Å²	108	112.3 Å²	112.3	76%	0.755	68%	0.675	S	S	*	*			trans	-100.7	66.3	-176.5	-64.4	0	0	0	0	112.9	S178	S176-S178 PolarHBondContact O-N 3.12Å
177	T	41.3	Very low	47.3	Very low	118 Å²	118	112.3 Å²	112.3	72%	0.724	68%	0.681	S	S	*	*			trans	-88.5	97.7	-173.5	-57.2	0	0	0	0	113.3	N175	N175-T177 PolarHBondContact O-N 3.33Å
178	S	39.3	Very low	45.8	Very low	92 Å²	92	118.2 Å²	118.2	64%	0.643	71%	0.708	S	S	*	*			trans	45.7	112.5	153.2	65.2	0	0	0	0	120.1	S176	S176-S178 PolarHBondContact O-N 3.12Å
179	T	39.6	Very low	44.1	Very low	142 Å²	142	121.6 Å²	121.6	87%	0.871	73%	0.727	S	S	*	*			trans	-139	100.3	144.9	-14.4	0	0	0	0	108.8
180	T	37.7	Very low	42.7	Very low	129 Å²	129	125.8 Å²	125.8	79%	0.791	74%	0.738	S	S	*	*			trans	-93.2	105.8	-174.2	-51.5	0	0	0	0	110.6
181	T	40.8	Very low	41.4	Very low	126 Å²	126	127 Å²	127	77%	0.773	75%	0.746	S	S	*	*			trans	-129.1	115.5	166.4	38	0	0	0	0	110.9	T183	T181-T183 PolarHBondContact O-N 3.36Å
182	T	34.7	Very low	40.2	Very low	126 Å²	126	131.1 Å²	131.1	77%	0.773	76%	0.764	S	S	*	*			trans	-79.6	108.9	-177.8	-51.3	0	0	0	0	111
183	T	43.9	Very low	39.1	Very low	123 Å²	123	132.1 Å²	132.1	76%	0.755	76%	0.764	S	S	*	*			trans	-129.9	126.5	163.1	46.5	0	0	0	0	110.5	T181	T181-T183 PolarHBondContact O-N 3.36Å
184	V	35.4	Very low	38	Very low	139 Å²	139	133.9 Å²	133.9	84%	0.842	78%	0.775	S	S	*	*			trans	-102.7	101.1	-179.9	-166.5	0	0	0	0	107.6
185	V	39.3	Very low	37	Very low	129 Å²	129	137.2 Å²	137.2	78%	0.782	78%	0.782	S	S	*	*			trans	-133.5	138	-179.5	-169.9	0	0	0	0	110.3
186	V	36.7	Very low	36	Very low	142 Å²	142	134.8 Å²	134.8	86%	0.861	78%	0.777	S	S	*	*			trans	-90.8	126.2	-171.4	174.2	0	0	0	0	111.5
187	G	32.5	Very low	35.3	Very low	63 Å²	63	140.2 Å²	140.2	65%	0.649	78%	0.782	S	S	*	*			trans	71.5	109.7	141.6	0	0	0	0	0	119.3
188	Q	38.7	Very low	35.1	Very low	203 Å²	203	142.2 Å²	142.2	95%	0.949	79%	0.788	S	S	*	*				-149.3	153	129.3	-117.8	170	64.5	0	0	110.9
189	Q	31.2	Very low	34.5	Very low	174 Å²	174	146.2 Å²	146.2	81%	0.813	80%	0.796	S	S	*	*			trans	-101.4	148.2	-175.6	-61.8	171	-34	0	0	110.4
190	H	35.6	Very low	34.2	Very low	163 Å²	163	145 Å²	145	76%	0.755	79%	0.793	S	S	*	*				-163.1	119.7	124.1	-107	79.7	0	0	0	112.7
191	Q	31.4	Very low	33.8	Very low	159 Å²	159	146.9 Å²	146.9	74%	0.743	79%	0.793	S	S	*	*			trans	34.7	112.6	143.5	-58.5	179.4	9.6	0	0	120.3
192	L	32.8	Very low	33.6	Very low	173 Å²	173	150.2 Å²	150.2	91%	0.906	80%	0.799	S	S	*	*				-161.1	117.8	91.4	-99.9	166.5	0	0	0	109.8
193	Q	30.5	Very low	33.2	Very low	151 Å²	151	151 Å²	151	71%	0.706	79%	0.794	S	S	*	*			trans	-142.4	122.8	178.8	-172.9	-170.5	23.2	0	0	109.6	Q195	Q193-Q195 HydrophobicContact CG-CG 4.06Å
194	C	30.7	Very low	32.6	Very low	132 Å²	132	154.5 Å²	154.5	89%	0.892	80%	0.795	S	S	*	*			trans	-103.1	101.9	165.7	-69	0	0	0	0	109.3
195	Q	31.8	Very low	32.2	Very low	146 Å²	146	153.9 Å²	153.9	68%	0.682	79%	0.787	S	S	*	*			trans	-78.1	175.3	155.7	-44.9	179.2	13.4	0	0	107.2	Q193	Q193-Q195 HydrophobicContact CG-CG 4.06Å
196	S	30.5	Very low	31.9	Very low	93 Å²	93	155.5 Å²	155.5	65%	0.65	79%	0.79	S	S	*	*			cis	-156	166.3	12.5	52.4	0	0	0	0	110.8
197	Y	27.7	Very low	31.7	Very low	221 Å²	221	154.3 Å²	154.3	87%	0.867	78%	0.779	S	S	*	*			trans	-72.1	138.9	155.4	-83.1	-111.5	0	0	0	109.6
198	L	35.6	Very low	31.7	Very low	161 Å²	161	159.4 Å²	159.4	84%	0.843	79%	0.786	S	S	*	*			trans	-140.4	129.3	153.2	-83.5	-178.4	0	0	0	111.4
199	H	28.4	Very low	31.5	Very low	175 Å²	175	153.7 Å²	153.7	81%	0.81	77%	0.773	S	S	*	*			trans	-77.3	146.7	161.8	-86.4	37.1	0	0	0	109.8
200	S	32.2	Very low	31.6	Very low	116 Å²	116	152.9 Å²	152.9	81%	0.811	78%	0.775	S	S	*	*				167.3	163.8	109.8	51.3	0	0	0	0	113.2
201	H	30.5	Very low	31.6	Very low	169 Å²	169	150.1 Å²	150.1	78%	0.782	77%	0.774	S	S	*	*			trans	-49.3	142.9	-172.3	-63.8	-93.7	0	0	0	117.4
202	Q	34.6	Very low	31.9	Very low	196 Å²	196	146.9 Å²	146.9	92%	0.916	77%	0.768	S	S	*	*				-150.1	132.4	118.5	-115.4	149.6	91.8	0	0	112.2
203	Q	28	Very low	32.1	Very low	143 Å²	143	146.1 Å²	146.1	67%	0.668	77%	0.765	S	S	*	*			trans	-103	178.7	167.5	-82.7	-175.9	-39	0	0	109.4
204	Y	30.7	Very low	32.4	Very low	197 Å²	197	142.8 Å²	142.8	77%	0.773	76%	0.758	S	S	*	*			trans	77.6	99.9	174.6	-54.4	-84.1	0	0	0	113.8
205	N	26.5	Very low	32.7	Very low	126 Å²	126	143.8 Å²	143.8	67%	0.674	75%	0.752	S	S	*	*				64.3	108.7	68.6	-175.5	15.3	0	0	0	112.5
206	L	33.5	Very low	33	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	76%	0.755	S	S	*	*			trans	-169.6	161.5	132.2	-104.3	157.8	0	0	0	113.4
207	N	31.7	Very low	33.5	Very low	117 Å²	117	145.1 Å²	145.1	63%	0.626	76%	0.755	S	S	*	*			trans	-87.1	169.4	-164.7	-66.9	-66.1	0	0	0	115.5
208	H	34.1	Very low	34.1	Very low	171 Å²	171	141.7 Å²	141.7	79%	0.792	75%	0.745	S	S	*	*			trans	73.6	105	144.9	-67.3	-19.1	0	0	0	121
209	A	33.1	Very low	34.2	Very low	82 Å²	82	143.6 Å²	143.6	68%	0.678	74%	0.742	S	S	*	*				70.3	156.8	110.5	0	0	0	0	0	121.5
210	N	33.5	Very low	34.6	Very low	158 Å²	158	140.8 Å²	140.8	85%	0.845	74%	0.742	S	S	*	*			trans	72.7	108.7	178.6	-51.5	-38.5	0	0	0	114.1
211	S	35.3	Very low	34.9	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	74%	0.744	S	S	*	*			cis	102.6	133.9	33.9	-173.8	0	0	0	0	113
212	S	38.4	Very low	35.3	Very low	90 Å²	90	144.3 Å²	144.3	63%	0.629	75%	0.749	S	S	*	*			trans	76.4	125.9	163.3	80.5	0	0	0	0	119.5
213	N	36.6	Very low	35.3	Very low	158 Å²	158	141.6 Å²	141.6	85%	0.845	74%	0.74	S	S	*	*			trans	71.8	150.2	137.3	-63.1	-14.9	0	0	0	119.1
214	S	36.4	Very low	35.8	Very low	80 Å²	80	139.6 Å²	139.6	56%	0.559	74%	0.742	S	S	*	*			cis	-172.2	142.6	-6.9	144.5	0	0	0	0	111.7
215	M	38.8	Very low	36.1	Very low	153 Å²	153	140.8 Å²	140.8	75%	0.754	75%	0.745	S	S	*	*			trans	68.2	159	155.2	-76.2	-167.5	-118.1	0	0	118.6
216	K	37.6	Very low	36.6	Very low	174 Å²	174	140.5 Å²	140.5	76%	0.757	75%	0.748	S	S	*	*			cis	177.8	152.4	-18.2	-178.9	-172	-136.8	159.7	0	109.8
217	S	39.6	Very low	36.7	Very low	93 Å²	93	139 Å²	139	65%	0.65	74%	0.74	S	S	*	*			trans	73.3	149.4	154.8	140	0	0	0	0	117.2
218	K	41.2	Very low	36.9	Very low	149 Å²	149	139.4 Å²	139.4	65%	0.648	74%	0.739	S	S	*	*			cis	-170.2	176	-1.2	-107.7	171.4	-167.3	179.3	0	110.4
219	Y	37.7	Very low	37	Very low	202 Å²	202	141.2 Å²	141.2	79%	0.792	74%	0.738	S	S	*	*			trans	76.7	145.1	158.7	-56.5	-56.2	0	0	0	117.6
220	S	36.8	Very low	37.1	Very low	115 Å²	115	142.5 Å²	142.5	80%	0.804	74%	0.743	S	S	*	*			cis	-148.3	173.4	-9.1	-154.8	0	0	0	0	112.4
221	K	39.4	Very low	37.2	Very low	196 Å²	196	143.5 Å²	143.5	85%	0.852	74%	0.742	S	S	*	*			trans	-96.9	159.1	175.4	-62.2	177.1	176.8	180	0	112.3
222	N	37.5	Very low	37.2	Very low	164 Å²	164	145 Å²	145	88%	0.877	74%	0.741	S	S	*	*			trans	-146.4	-178	136.2	-140.1	-44.2	0	0	0	111.1
223	N	34.4	Very low	36.9	Very low	138 Å²	138	147.8 Å²	147.8	74%	0.738	75%	0.748	S	S	*	*			trans	-157.6	164	-156	-174.9	28	0	0	0	114.4
224	S	38.4	Very low	36.8	Very low	101 Å²	101	146.8 Å²	146.8	71%	0.706	74%	0.743	S	S	*	*			trans	70.8	162.2	170.7	79.8	0	0	0	0	115.9
225	R	36.8	Very low	36.9	Very low	222 Å²	222	151.9 Å²	151.9	84%	0.838	76%	0.755	S	S	*	*			cis	-160	120.5	14.2	-169	171.6	173	171.9	-3.6	107.8
226	V	37.7	Very low	36.7	Very low	121 Å²	121	153.9 Å²	153.9	73%	0.733	76%	0.763	S	S	*	*				69.6	135.7	85	174.8	0	0	0	0	116.1
227	N	35.7	Very low	36.3	Very low	129 Å²	129	151.3 Å²	151.3	69%	0.69	77%	0.767	S	S	*	*			trans	78.3	148.6	175.5	-77.8	26.8	0	0	0	118.1
228	E	36.2	Very low	35.9	Very low	126 Å²	126	153.3 Å²	153.3	59%	0.589	78%	0.775	S	S	*	*			cis	-157.7	148.6	-7.7	-129.5	175.2	137.6	0	0	115.2
229	R	35	Very low	35.2	Very low	209 Å²	209	152.7 Å²	152.7	79%	0.789	78%	0.784	S	S	*	*			trans	45.5	156.2	139.7	-86.7	-179.6	172.8	130.3	-9.6	126.4
230	S	36.6	Very low	34.9	Very low	110 Å²	110	150.6 Å²	150.6	77%	0.769	79%	0.785	S	S	*	*			trans	79	117.7	160.9	-55.1	0	0	0	0	116.9
231	E	35.8	Very low	34.4	Very low	178 Å²	178	150.2 Å²	150.2	83%	0.832	78%	0.783	S	S	*	*			cis	106.1	145.2	22.2	-163.9	-178.9	-97.8	0	0	113.4
232	L	34.8	Very low	33.9	Very low	137 Å²	137	149.1 Å²	149.1	72%	0.717	79%	0.786	S	S	*	*			trans	85.4	118.8	174.3	-58.4	178.1	0	0	0	120.3
233	L	32.7	Very low	33.3	Very low	148 Å²	148	145.2 Å²	145.2	78%	0.775	78%	0.776	S	S	*	*			trans	67.1	153	145.2	-57.2	168.2	0	0	0	118
234	D	34.7	Very low	32.9	Very low	137 Å²	137	145.7 Å²	145.7	73%	0.733	78%	0.779	S	S	*	*			cis	-143.2	177	9.1	-143.7	-30.8	0	0	0	113.1
235	K	37.4	Very low	32.4	Very low	187 Å²	187	148.4 Å²	148.4	81%	0.813	79%	0.785	S	S	*	*			trans	-88.9	131.7	-177.4	-60.3	168.9	-177.1	169.7	0	112.9
236	Q	33.8	Very low	32.1	Very low	196 Å²	196	143.4 Å²	143.4	92%	0.916	78%	0.784	S	S	*	*			trans	-157	157.4	144.1	-125.6	160	94.5	0	0	113.7
237	S	29.3	Very low	31.8	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	79%	0.792	S	S	*	*			trans	-86.2	136.4	-169.2	-51	0	0	0	0	113
238	T	31.6	Very low	31.4	Very low	134 Å²	134	145.6 Å²	145.6	82%	0.822	80%	0.797	S	S	*	*			trans	-139.2	122.2	159.9	-21.3	0	0	0	0	110.7
239	T	27.6	Very low	31	Very low	137 Å²	137	146.9 Å²	146.9	84%	0.84	81%	0.807	S	S	*	*			trans	-71.7	130.6	169.7	48.9	0	0	0	0	110.3
240	L	30.6	Very low	30.8	Very low	157 Å²	157	144.4 Å²	144.4	82%	0.822	81%	0.808	S	S	*	*			trans	-152.4	142.1	162.1	-111.4	170.3	0	0	0	111.4
241	S	26.5	Very low	30.3	Very low	107 Å²	107	147.9 Å²	147.9	75%	0.748	81%	0.813	S	S	*	*			trans	-84.7	126.9	179.5	53.3	0	0	0	0	111.5
242	L	27.9	Very low	30.1	Very low	174 Å²	174	144.8 Å²	144.8	91%	0.911	81%	0.806	S	S	*	*			trans	-110.3	122.2	161.6	-95.1	74	0	0	0	110.1
243	A	26.1	Very low	29.6	Very low	81 Å²	81	144.8 Å²	144.8	67%	0.669	81%	0.806	S	S	*	*			trans	-127.9	147.3	164.9	0	0	0	0	0	108.9
244	N	25.6	Very low	29.6	Very low	149 Å²	149	144.8 Å²	144.8	80%	0.797	81%	0.812	S	S	*	*			trans	77.2	153.4	169.3	-50.6	-33.6	0	0	0	118.5
245	N	27.7	Very low	29	Very low	158 Å²	158	148 Å²	148	85%	0.845	82%	0.815	S	S	*	*			trans	69.8	72.2	155.7	-59.5	-12.6	0	0	0	119.9
246	S	30	Very low	28.7	Very low	116 Å²	116	147 Å²	147	81%	0.811	81%	0.813	S	S	*	*			trans	-167.3	106.6	136.4	50.3	0	0	0	0	112.9
247	V	31.4	Very low	28.4	Very low	149 Å²	149	144.9 Å²	144.9	90%	0.903	80%	0.804	S	S	*	*				-153.7	112.4	127.7	-177.9	0	0	0	0	107.5
248	N	27.5	Very low	28.5	Very low	148 Å²	148	145.6 Å²	145.6	79%	0.791	80%	0.798	S	S	*	*			trans	-152.1	154.6	154.4	-156.3	-13.7	0	0	0	106.8
249	L	28.7	Very low	28.5	Very low	152 Å²	152	146.7 Å²	146.7	80%	0.796	80%	0.799	S	S	*	*			trans	62.1	115.4	-157.9	-60.3	81.3	0	0	0	114.1
250	L	30.8	Very low	28.5	Very low	158 Å²	158	144.4 Å²	144.4	83%	0.827	79%	0.794	S	S	*	*				-167.3	101.5	117.3	-104.2	175.2	0	0	0	109.5	T252	L250-T252 HydrophobicContact CD2-CG2 3.96Å
251	Q	25.8	Very low	28.6	Very low	183 Å²	183	146.8 Å²	146.8	86%	0.855	79%	0.793	S	S	*	*			trans	-116	109.3	166.9	-179.1	174.9	-3.7	0	0	108
252	T	30.9	Very low	28.8	Very low	112 Å²	112	150.5 Å²	150.5	69%	0.687	79%	0.792	S	S	*	*			trans	-139.4	125.4	179.8	50.3	0	0	0	0	110.2	L250	L250-T252 HydrophobicContact CD2-CG2 3.96Å
253	N	25	Very low	29	Very low	137 Å²	137	149 Å²	149	73%	0.733	79%	0.785	S	S	*	*			trans	-72.5	150.3	-171.5	-48.1	-60.6	0	0	0	113.3
254	V	32.4	Very low	29	Very low	148 Å²	148	150.6 Å²	150.6	90%	0.897	79%	0.791	S	S	*	*			trans	-135.5	134	154.3	-176.5	0	0	0	0	108.6
255	Y	22.4	Very low	29.2	Very low	204 Å²	204	150.8 Å²	150.8	80%	0.8	79%	0.792	S	S	*	*			trans	-107.8	143.9	177.4	-97	-106	0	0	0	110.4
256	H	31.2	Very low	29.2	Very low	166 Å²	166	149.4 Å²	149.4	77%	0.769	79%	0.789	S	S	*	*			trans	174.4	125.1	137.2	-91.2	-65.8	0	0	0	106.5
257	Q	27.8	Very low	29.3	Very low	153 Å²	153	153.1 Å²	153.1	72%	0.715	79%	0.791	S	S	*	*			cis	96.6	152.9	47.9	-169.2	169.8	15.1	0	0	111.8
258	N	30.7	Very low	29.1	Very low	135 Å²	135	154.5 Å²	154.5	72%	0.722	79%	0.787	S	S	*	*			trans	84.2	136.4	-168.8	-48.9	-0.1	0	0	0	112.9
259	D	31.8	Very low	29.3	Very low	156 Å²	156	154.6 Å²	154.6	83%	0.834	79%	0.788	S	S	*	*			cis	-151.9	164	-16.5	-101.9	-40.6	0	0	0	109.3
260	A	29	Very low	29.1	Very low	89 Å²	89	157.6 Å²	157.6	74%	0.736	79%	0.788	S	S	*	*			trans	-122.8	143	-172	0	0	0	0	0	113.6
261	Y	31.4	Very low	29.2	Very low	208 Å²	208	157.4 Å²	157.4	82%	0.816	79%	0.788	S	S	*	*			trans	-162.9	154	147.9	-124.9	-81.3	0	0	0	114.7
262	Y	31.1	Very low	29.3	Very low	185 Å²	185	156.2 Å²	156.2	73%	0.725	79%	0.788	S	S	*	*			trans	86.6	115.9	158.2	-87.8	-57.2	0	0	0	123.9
263	N	31.1	Very low	29.3	Very low	143 Å²	143	156 Å²	156	77%	0.765	79%	0.791	S	S	*	*			trans	67.5	97.5	148.4	-74.1	-13.3	0	0	0	121.5
264	S	26.5	Very low	29.6	Very low	113 Å²	113	155.6 Å²	155.6	79%	0.79	79%	0.793	S	S	*	*			trans	-79.3	151	146.4	-42.3	0	0	0	0	111.2
265	L	30.6	Very low	29.4	Very low	154 Å²	154	153.4 Å²	153.4	81%	0.806	78%	0.784	S	S	*	*			trans	-149.7	103.8	159.6	-119.3	162.9	0	0	0	110	F267	L265-F267 HydrophobicContact CD2-CD2 4.28Å; L265-F267 HydrophobicContact CD2-CE2 4.3Å
266	T	27.8	Very low	29.5	Very low	129 Å²	129	153.9 Å²	153.9	79%	0.791	79%	0.786	S	S	*	*			trans	-94.3	140.1	175	45.3	0	0	0	0	110.3
267	F	31.1	Very low	29.6	Very low	193 Å²	193	155 Å²	155	85%	0.846	79%	0.792	S	S	*	*			trans	-133.4	111.9	163.4	-107.5	-83.7	0	0	0	110.7	L265	L265-F267 HydrophobicContact CD2-CD2 4.28Å; L265-F267 HydrophobicContact CD2-CE2 4.3Å
268	H	28.3	Very low	29.6	Very low	179 Å²	179	152.1 Å²	152.1	83%	0.829	79%	0.788	S	S	*	*			trans	-76.4	143.3	159.8	-96.9	-59.3	0	0	0	109.1
269	N	31.2	Very low	29.8	Very low	150 Å²	150	152.4 Å²	152.4	80%	0.802	80%	0.795	S	S	*	*				-146.8	148.7	129.9	-143.9	-10.5	0	0	0	111.9
270	R	24.9	Very low	29.7	Very low	215 Å²	215	151.7 Å²	151.7	81%	0.811	79%	0.791	S	S	*	*			trans	-103.1	161.4	164.2	-74.2	177.7	168.9	175	-3.5	107.6
271	N	32.6	Very low	29.9	Very low	153 Å²	153	158.7 Å²	158.7	82%	0.818	80%	0.8	S	S	*	*				-179.8	140.1	118.3	-87.9	-22.8	0	0	0	111.8
272	N	28.4	Very low	30.1	Very low	159 Å²	159	157 Å²	157	85%	0.85	80%	0.797	S	S	*	*			trans	-82.9	145.6	159.5	-78.1	-23.4	0	0	0	108.9
273	S	30.2	Very low	30.5	Very low	107 Å²	107	156.9 Å²	156.9	75%	0.748	81%	0.805	S	S	*	*				173.3	129.5	119.6	46	0	0	0	0	114.9
274	T	30.4	Very low	30.4	Very low	129 Å²	129	155.7 Å²	155.7	79%	0.791	80%	0.798	S	S	*	*			trans	45.3	117.5	139.1	60.9	0	0	0	0	123.2
275	S	29.6	Very low	30.9	Very low	101 Å²	101	159.7 Å²	159.7	71%	0.706	81%	0.805	S	S	*	*				76.4	120.1	118	-164.8	0	0	0	0	122.5
276	Y	24	Very low	31.3	Very low	215 Å²	215	159.2 Å²	159.2	84%	0.843	80%	0.798	S	S	*	*			trans	19.7	119.9	146.7	-65.3	-88.3	0	0	0	121.2
277	H	33.8	Very low	31.8	Very low	190 Å²	190	160.6 Å²	160.6	88%	0.88	80%	0.796	S	S	*	*				-155.8	166.5	111.2	-138.2	-92.6	0	0	0	112.6
278	S	27.6	Very low	32	Very low	92 Å²	92	156.3 Å²	156.3	64%	0.643	79%	0.79	S	S	*	*			trans	-111.4	148.6	-179.4	-174.7	0	0	0	0	112.8
279	V	33.9	Very low	32.3	Very low	141 Å²	141	151.8 Å²	151.8	86%	0.855	78%	0.779	S	S	*	*			trans	-162.4	148.5	150.8	-98.4	0	0	0	0	110.6
280	D	30.4	Very low	32.6	Very low	140 Å²	140	152.7 Å²	152.7	75%	0.749	78%	0.778	S	S	*	*			trans	-75.5	170.6	-178.2	-49.6	-103	0	0	0	114.8
281	Y	34.1	Very low	33.2	Very low	236 Å²	236	151.7 Å²	151.7	93%	0.925	78%	0.779	S	S	*	*				-166.5	157.6	114.1	-107.4	-73.3	0	0	0	112.8
282	K	35.5	Very low	33.1	Very low	173 Å²	173	149.6 Å²	149.6	75%	0.752	78%	0.776	S	S	*	*			trans	-86	158.5	-173.8	-59.9	174	176.6	177.4	0	113.7
283	M	37.8	Very low	33.7	Very low	182 Å²	182	146.4 Å²	146.4	90%	0.897	76%	0.764	S	S	*	*				-139.5	135.5	125.6	-80	-56	-70	0	0	109.6
284	N	30.5	Very low	33.6	Very low	118 Å²	118	152 Å²	152	63%	0.631	77%	0.77	S	S	*	*			trans	-115.7	144.4	169.1	-76.3	28.4	0	0	0	108.2
285	E	36.6	Very low	33.8	Very low	198 Å²	198	154.7 Å²	154.7	93%	0.925	77%	0.771	S	S	*	*			trans	-148	135.6	137.9	-140.6	159.4	-158.1	0	0	110.5
286	E	37.9	Very low	33.9	Very low	143 Å²	143	157.5 Å²	157.5	67%	0.668	78%	0.777	S	S	*	*			trans	-98.8	-178.1	174.7	-52.5	-180	155.7	0	0	107.5
287	Q	39.7	Very low	34.2	Very low	158 Å²	158	154.6 Å²	154.6	74%	0.738	77%	0.772	S	S	*	*			cis	-169.8	157.5	19.9	-152	175.9	88.2	0	0	108.7
288	S	35.6	Very low	34.2	Very low	103 Å²	103	152.1 Å²	152.1	72%	0.72	77%	0.765	S	S	*	*			trans	70.1	150.2	153	-160.7	0	0	0	0	119.8
289	S	34	Very low	34.3	Very low	85 Å²	85	157.2 Å²	157.2	59%	0.594	77%	0.77	S	S	*	*			cis	-167.8	-177.6	-44.3	55	0	0	0	0	110.7
290	H	37.3	Very low	34.2	Very low	169 Å²	169	161.5 Å²	161.5	78%	0.782	77%	0.772	S	S	*	*			trans	93.7	84	168.4	-65.9	-84.5	0	0	0	121.7
291	K	37.8	Very low	34.1	Very low	194 Å²	194	159.9 Å²	159.9	84%	0.843	77%	0.772	S	S	*	*				35.6	114.1	127.2	-64.6	-177.7	178.7	179.9	0	121.6
292	S	30.8	Very low	34.1	Very low	109 Å²	109	158 Å²	158	76%	0.762	77%	0.771	S	S	*	*				63	146.9	103	-152.8	0	0	0	0	121.3
293	P	39.4	Very low	33.8	Very low	91 Å²	91	158.7 Å²	158.7	59%	0.591	78%	0.777	S	S	*	*			cis	-143	-179.7	-35.8	40.7	-23.9	0	0	0	115.7
294	Y	28.9	Very low	33.3	Very low	225 Å²	225	158 Å²	158	88%	0.882	78%	0.776	S	S	*	*			trans	54.5	106.2	156.2	-58.9	-55.3	0	0	0	121.3
295	K	34.7	Very low	33.2	Very low	185 Å²	185	157 Å²	157	80%	0.804	78%	0.777	S	S	*	*				-148.3	160.3	121.1	-123.5	-168	169.3	-131.8	0	110.2	E297	K295-E297 IonicContact NZ-OE2 3.97Å; K295-E297 PolarHBondContact NZ-OE2 3.09Å
296	L	31.7	Very low	32.8	Very low	160 Å²	160	154.9 Å²	154.9	84%	0.838	77%	0.772	S	S	*	*			trans	-132.6	101.8	-168.3	179.7	79.2	0	0	0	110.7
297	E	31.4	Very low	32.3	Very low	155 Å²	155	158 Å²	158	72%	0.724	78%	0.779	S	S	*	*			trans	-154.8	151.3	170.2	-95.3	109.1	-165.4	0	0	110.3	K295	K295-E297 IonicContact NZ-OE2 3.97Å; K295-E297 PolarHBondContact NZ-OE2 3.09Å
298	D	32.7	Very low	31.6	Very low	137 Å²	137	158.5 Å²	158.5	73%	0.733	78%	0.779	S	S	*	*			trans	65.7	105.1	165.7	-78	-9.7	0	0	0	124.5
299	R	30.4	Very low	31.4	Very low	200 Å²	200	160.3 Å²	160.3	76%	0.755	78%	0.78	S	S	*	*			trans	67.1	95	130.7	-54	-167.9	-53.5	-162.8	1.9	122.1
300	Y	32.1	Very low	31	Very low	230 Å²	230	162.8 Å²	162.8	90%	0.902	78%	0.782	S	S	*	*				-137.3	135.3	124	-75	-90.6	0	0	0	106.5
301	S	27.3	Very low	30.6	Very low	106 Å²	106	159.9 Å²	159.9	74%	0.741	78%	0.776	S	S	*	*			cis	74.9	64.5	29.6	-57.9	0	0	0	0	115.2
302	E	34.4	Very low	30	Very low	196 Å²	196	156.3 Å²	156.3	92%	0.916	77%	0.766	S	S	*	*			trans	-147.5	165.2	156	-130.7	165.4	-138	0	0	111.6
303	Q	28.9	Very low	30	Very low	188 Å²	188	156 Å²	156	88%	0.879	76%	0.76	S	S	*	*			trans	-93.2	135.1	-162.8	-64.2	168.6	-50.8	0	0	113.1
304	L	28.1	Very low	29.4	Very low	167 Å²	167	161.7 Å²	161.7	87%	0.874	78%	0.775	S	S	*	*			trans	-111.8	127.2	161.4	-79.1	172.4	0	0	0	110
305	P	28.5	Very low	29.4	Very low	98 Å²	98	158.4 Å²	158.4	64%	0.636	76%	0.763	S	S	*	*			trans	-64.7	137.8	175	-22.6	34	0	0	0	112.6	Y307	P305-Y307 HydrophobicContact CB-CE2 4.31Å; P305-Y307 PolarHBondContact O-N 3.27Å
306	N	26.7	Very low	29.3	Very low	153 Å²	153	153.1 Å²	153.1	82%	0.818	75%	0.747	S	S	*	*			trans	-70.5	95.5	171.6	-78	-62	0	0	0	110.6	F308	N306-F308 PolarHBondContact O-N 3.42Å
307	Y	27.9	Very low	29.2	Very low	208 Å²	208	153 Å²	153	82%	0.816	75%	0.748	S	S	*	*			trans	-73.3	75.7	166.9	-81.8	-83.2	0	0	0	110.8	P305 L309	P305-Y307 HydrophobicContact CB-CE2 4.31Å; P305-Y307 PolarHBondContact O-N 3.27Å; Y307-L309 VanDerWaalsContact C-N 3.3Å; Y307-L309 PolarHBondContact O-N 2.91Å
308	F	26.4	Very low	29.2	Very low	170 Å²	170	154.6 Å²	154.6	75%	0.746	75%	0.748	S	S	*	*			trans	-72.9	84.2	170.5	-125.3	-89.9	0	0	0	109.1	N306 Q310	N306-F308 PolarHBondContact O-N 3.42Å; F308-Q310 PolarHBondContact O-N 3.07Å
309	L	29.6	Very low	29	Very low	141 Å²	141	155.8 Å²	155.8	74%	0.738	75%	0.751	S	S	*	*			trans	-70.5	81.6	169.5	-82	175.1	0	0	0	109.6	Y307 T311	Y307-L309 VanDerWaalsContact C-N 3.3Å; Y307-L309 PolarHBondContact O-N 2.91Å; L309-T311 PolarHBondContact O-N 3.04Å
310	Q	25.5	Very low	29	Very low	137 Å²	137	156.1 Å²	156.1	64%	0.64	75%	0.754	S	S	*	*			trans	-77.4	72.6	176.4	-170.8	166.4	-17.7	0	0	110.3	F308 N312	F308-Q310 PolarHBondContact O-N 3.07Å; Q310-N312 HydrophobicContact CG-CB 4.41Å; Q310-N312 PolarHBondContact NE2-ND2 2.83Å; Q310-N312 PolarHBondContact O-N 3.42Å
311	T	29.2	Very low	28.9	Very low	107 Å²	107	149.8 Å²	149.8	66%	0.656	74%	0.736	S	S	*	*			trans	-72.4	64.8	172.8	56.8	0	0	0	0	110.7	L309 T313	L309-T311 PolarHBondContact O-N 3.04Å; T311-T313 PolarHBondContact O-N 3.23Å
312	N	25.1	Very low	29	Very low	120 Å²	120	153.5 Å²	153.5	64%	0.642	74%	0.741	S	S	*	*			trans	-75.7	51.7	171.4	-84.2	8.6	0	0	0	111	Q310	Q310-N312 HydrophobicContact CG-CB 4.41Å; Q310-N312 PolarHBondContact NE2-ND2 2.83Å; Q310-N312 PolarHBondContact O-N 3.42Å
313	T	31.6	Very low	28.8	Very low	101 Å²	101	153.1 Å²	153.1	62%	0.62	73%	0.733	S	S	*	*			trans	-71.5	129.4	163.1	40.1	0	0	0	0	108.5	T311 Y315	T311-T313 PolarHBondContact O-N 3.23Å; T313-Y315 VanDerWaalsContact C-N 3.33Å; T313-Y315 PolarHBondContact O-N 3.2Å
314	F	26.8	Very low	28.8	Very low	211 Å²	211	152.5 Å²	152.5	93%	0.925	72%	0.722	S	S	*	*			trans	-70.1	81.5	-172.3	-99.7	-106.3	0	0	0	112.2	P316	F314-P316 WeakPolarHBondContact O-CD 3.39Å
315	Y	29.4	Very low	28.9	Very low	157 Å²	157	152.5 Å²	152.5	62%	0.616	72%	0.723	S	S	*	*			trans	-72.7	121	160	-87.5	-86	0	0	0	109.5	T313 N317	T313-Y315 VanDerWaalsContact C-N 3.33Å; T313-Y315 PolarHBondContact O-N 3.2Å; Y315-N317 PolarHBondContact O-N 2.96Å
316	P	31.7	Very low	28.9	Very low	74 Å²	74	157.2 Å²	157.2	48%	0.481	73%	0.734	S	S	.	*			trans	-66.3	119.5	172.8	-16.3	30.6	0	0	0	109.3	F314 Y318	F314-P316 WeakPolarHBondContact O-CD 3.39Å; P316-Y318 VanDerWaalsContact C-N 3.31Å; P316-Y318 HydrophobicContact CB-CD2 3.99Å; P316-Y318 HydrophobicContact CB-CE2 3.68Å; P316-Y318 HydrophobicContact CG-CE2 4.2Å; P316-Y318 PolarHBondContact O-N 3.13Å
317	N	29.4	Very low	29	Very low	158 Å²	158	155.3 Å²	155.3	85%	0.845	73%	0.733	S	S	*	*			trans	-70.4	86.3	174.8	-98.1	-78.8	0	0	0	110.2	Y315 M319	Y315-N317 PolarHBondContact O-N 2.96Å; N317-M319 PolarHBondContact O-N 2.96Å
318	Y	32.3	Very low	29.2	Very low	188 Å²	188	153 Å²	153	74%	0.737	73%	0.734	S	S	*	*			trans	-74.7	61.5	172.4	-78.1	-72.4	0	0	0	111.7	P316 Y320	P316-Y318 VanDerWaalsContact C-N 3.31Å; P316-Y318 HydrophobicContact CB-CD2 3.99Å; P316-Y318 HydrophobicContact CB-CE2 3.68Å; P316-Y318 HydrophobicContact CG-CE2 4.2Å; P316-Y318 PolarHBondContact O-N 3.13Å; Y318-Y320 PolarHBondContact O-N 2.96Å
319	M	28.2	Very low	29.5	Very low	161 Å²	161	150.4 Å²	150.4	79%	0.793	73%	0.734	S	S	*	*			trans	-85.5	82.8	178.2	-162.6	-154.8	90.3	0	0	110.8	N317	N317-M319 PolarHBondContact O-N 2.96Å
320	Y	30.2	Very low	29.3	Very low	208 Å²	208	153.3 Å²	153.3	82%	0.816	74%	0.741	S	S	*	*			trans	-142.5	108.7	174.8	-123.1	-95.3	0	0	0	114.9	Y318	Y318-Y320 PolarHBondContact O-N 2.96Å
321	N	30.7	Very low	29.6	Very low	96 Å²	96	153.2 Å²	153.2	51%	0.513	75%	0.75	S	S	.	*			trans	58.2	91.2	162.8	-66.1	-36.4	0	0	0	120.1	Y323	N321-Y323 PolarHBondContact O-N 2.84Å
322	E	27.5	Very low	29.3	Very low	184 Å²	184	154.5 Å²	154.5	86%	0.86	76%	0.758	S	S	*	*			trans	-63	104.2	148	-63	-179.5	138.5	0	0	110.6
323	Y	31.1	Very low	29.5	Very low	188 Å²	188	152.7 Å²	152.7	74%	0.737	76%	0.755	S	S	*	*			trans	-146.9	13.3	169.2	-103.9	-67.3	0	0	0	117.3	N321	N321-Y323 PolarHBondContact O-N 2.84Å
324	W	29.9	Very low	29.2	Very low	175 Å²	175	153.3 Å²	153.3	66%	0.663	76%	0.763	S	S	*	*			trans	-125	71.9	-178.6	-75.2	107.2	0	0	0	114.4	C52 D56	C52-W324 HydrophobicContact CB-CH2 4.28Å; D56-W324 WeakPolarHBondContact OD2-CZ2 3.41Å
325	N	29	Very low	29.4	Very low	167 Å²	167	152.9 Å²	152.9	89%	0.893	76%	0.757	S	S	*	*			trans	-167	69.1	148.1	-102.8	-33.3	0	0	0	113.1
326	K	29	Very low	29.2	Very low	198 Å²	198	153.1 Å²	153.1	86%	0.861	77%	0.768	S	S	*	*			trans	-123.6	76.2	167.8	-78	-165.9	176.5	-174.9	0	111.9
327	S	29.1	Very low	29	Very low	113 Å²	113	155.4 Å²	155.4	79%	0.79	79%	0.785	S	S	*	*			trans	179	92.3	153.4	-84.4	0	0	0	0	113.2
328	L	30.7	Very low	28.8	Very low	159 Å²	159	153.9 Å²	153.9	83%	0.832	78%	0.782	S	S	*	*				-169.8	133.2	129.5	-125.1	69.6	0	0	0	108.9
329	P	33	Very low	28.6	Very low	116 Å²	116	150.9 Å²	150.9	75%	0.753	79%	0.788	S	S	*	*			trans	-80.3	137.4	177.8	31.5	-33	0	0	0	111.3
330	F	26.4	Very low	28.6	Very low	202 Å²	202	149.5 Å²	149.5	89%	0.886	79%	0.789	S	S	*	*			trans	-68.9	130.2	164.3	-82.8	-99.1	0	0	0	110
331	T	30.5	Very low	28.2	Very low	134 Å²	134	145.9 Å²	145.9	82%	0.822	79%	0.789	S	S	*	*			trans	-109.6	100	160.1	51.5	0	0	0	0	108.4
332	T	24.3	Very low	28.1	Very low	135 Å²	135	148.1 Å²	148.1	83%	0.828	81%	0.806	S	S	*	*			trans	-66.7	129.8	172.9	47.1	0	0	0	0	110.6
333	S	29.1	Very low	27.9	Very low	82 Å²	82	145.6 Å²	145.6	57%	0.573	80%	0.803	S	S	*	*			trans	-142.3	124.7	154.7	-162.1	0	0	0	0	109.3	Y335	S333-Y335 WeakPolarHBondContact OG-CE1 3.36Å; S333-Y335 VanDerWaalsContact OG-CZ 3.24Å; S333-Y335 PolarHBondContact OG-OH 2.72Å
334	S	25.6	Very low	27.8	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	81%	0.81	S	S	*	*			trans	-104.8	120.6	-171.6	52.5	0	0	0	0	111
335	Y	30.5	Very low	27.6	Very low	202 Å²	202	141.7 Å²	141.7	79%	0.792	82%	0.818	S	S	*	*			trans	-127.3	116.5	164.8	-34.3	-62.3	0	0	0	108.7	S333	S333-Y335 WeakPolarHBondContact OG-CE1 3.36Å; S333-Y335 VanDerWaalsContact OG-CZ 3.24Å; S333-Y335 PolarHBondContact OG-OH 2.72Å
336	L	24.8	Very low	27.5	Very low	162 Å²	162	137.9 Å²	137.9	85%	0.848	81%	0.805	S	S	*	*			trans	-94	120.1	178.9	-168.6	80.4	0	0	0	108.9
337	S	28.2	Very low	27.5	Very low	122 Å²	122	136.1 Å²	136.1	85%	0.853	81%	0.805	S	S	*	*			trans	-146.9	83.4	171.6	-80.7	0	0	0	0	111.3
338	T	23.8	Very low	27.5	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	80%	0.802	S	S	*	*			trans	-70.3	130.3	163.6	39.3	0	0	0	0	110.9
339	S	28.5	Very low	27.3	Very low	124 Å²	124	134 Å²	134	87%	0.867	80%	0.802	S	S	*	*			trans	-149	125.8	154.3	-92	0	0	0	0	111.3
340	T	28.2	Very low	27.2	Very low	132 Å²	132	137.3 Å²	137.3	81%	0.81	81%	0.808	S	S	*	*			trans	-58.1	150.2	-175	42.6	0	0	0	0	116.1
341	T	22.7	Very low	27.2	Very low	133 Å²	133	135.6 Å²	135.6	82%	0.816	81%	0.806	S	S	*	*			trans	-68	142.6	164.2	49.2	0	0	0	0	113.2
342	T	28.2	Very low	27	Very low	142 Å²	142	136.3 Å²	136.3	87%	0.871	80%	0.804	S	S	*	*			trans	-137.9	144.5	153.5	45.6	0	0	0	0	110.7
343	T	23.9	Very low	27.1	Very low	131 Å²	131	135.9 Å²	135.9	80%	0.804	80%	0.801	S	S	*	*			trans	-117.4	134.6	-176.4	49.8	0	0	0	0	111.2
344	T	28.2	Very low	27	Very low	144 Å²	144	137.5 Å²	137.5	88%	0.883	81%	0.811	S	S	*	*			trans	-157.7	129.7	150.8	30.4	0	0	0	0	113.2
345	V	25.6	Very low	27	Very low	137 Å²	137	140.4 Å²	140.4	83%	0.83	81%	0.812	S	S	*	*			trans	-29.4	148.2	153.2	-128.4	0	0	0	0	112.9
346	S	28.3	Very low	26.8	Very low	88 Å²	88	135.5 Å²	135.5	62%	0.615	81%	0.807	S	S	*	*			cis	-175.9	172.8	46.4	58.4	0	0	0	0	115.3
347	N	28.8	Very low	27	Very low	160 Å²	160	134.6 Å²	134.6	86%	0.856	80%	0.803	S	S	*	*			trans	64.3	121.2	154.7	-60.7	-11.7	0	0	0	120
348	G	27.7	Very low	26.9	Very low	71 Å²	71	138.8 Å²	138.8	73%	0.732	80%	0.802	S	S	*	*			trans	148.1	81	161.6	0	0	0	0	0	116
349	N	27.6	Very low	27.1	Very low	157 Å²	157	140.3 Å²	140.3	84%	0.84	81%	0.805	S	S	*	*			trans	8.8	111	157.6	-50.9	-8.9	0	0	0	118.7
350	E	31	Very low	27	Very low	186 Å²	186	140.5 Å²	140.5	87%	0.869	80%	0.796	S	S	*	*				-178.4	162.4	101.8	-98	179.2	-174.6	0	0	112
351	I	25	Very low	26.9	Very low	165 Å²	165	138.2 Å²	138.2	85%	0.846	78%	0.782	S	S	*	*			trans	-107.6	109.4	-172.6	-58.9	167.4	0	0	0	109.8
352	I	27.6	Very low	27.2	Very low	150 Å²	150	136.9 Å²	136.9	77%	0.769	77%	0.769	S	S	*	*			trans	-132.7	132.1	162.1	-59.2	-176.9	0	0	0	109.2
353	T	26.1	Very low	27.1	Very low	125 Å²	125	140 Å²	140	77%	0.767	77%	0.767	S	S	*	*			trans	-77.1	127.3	-177.6	46.6	0	0	0	0	112.3
354	C	26.4	Very low	27.3	Very low	117 Å²	117	138.4 Å²	138.4	79%	0.791	75%	0.754	S	S	*	*			trans	-105.6	102.4	172	-62.2	0	0	0	0	110.3	S356	C354-S356 PolarHBondContact O-N 2.81Å
355	E	26.4	Very low	27.3	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.813	74%	0.744	S	S	*	*			trans	-65.3	120.8	173.8	-70.1	-173.2	124.7	0	0	110.9	N357	E355-N357 PolarHBondContact O-N 3.03Å
356	S	26.7	Very low	27.4	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	75%	0.749	S	S	*	*			trans	-77.9	89.3	176.5	-64.4	0	0	0	0	109.9	C354 Y358	C354-S356 PolarHBondContact O-N 2.81Å; S356-Y358 VanDerWaalsContact C-N 3.34Å; S356-Y358 WeakPolarHBondContact O-CD2 3.2Å; S356-Y358 PolarHBondContact O-N 3.11Å
357	N	27.9	Very low	27.3	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	75%	0.747	S	S	*	*			trans	-67.8	89.2	174.2	-86.1	-74.9	0	0	0	110.8	E355 L359	E355-N357 PolarHBondContact O-N 3.03Å; N357-L359 PolarHBondContact O-N 3.03Å
358	Y	27.6	Very low	27.2	Very low	209 Å²	209	138.9 Å²	138.9	82%	0.82	75%	0.747	S	S	*	*			trans	-60.2	117	170.5	-82	-94.9	0	0	0	110	S356 N360	S356-Y358 VanDerWaalsContact C-N 3.34Å; S356-Y358 WeakPolarHBondContact O-CD2 3.2Å; S356-Y358 PolarHBondContact O-N 3.11Å; Y358-N360 PolarHBondContact O-N 3Å
359	L	27.8	Very low	27.2	Very low	159 Å²	159	145.7 Å²	145.7	83%	0.832	76%	0.757	S	S	*	*			trans	-69.7	94.7	172	-76.8	169.7	0	0	0	109.7	N357 T361	N357-L359 PolarHBondContact O-N 3.03Å; L359-T361 PolarHBondContact O-N 3.05Å
360	N	26	Very low	27.2	Very low	127 Å²	127	142.8 Å²	142.8	68%	0.679	75%	0.749	S	S	*	*			trans	-67.7	93.4	173.4	-175.9	-7.7	0	0	0	110	Y358 N362	Y358-N360 PolarHBondContact O-N 3Å; N360-N362 PolarHBondContact O-N 2.97Å
361	T	26.7	Very low	27	Very low	85 Å²	85	140.7 Å²	140.7	52%	0.521	74%	0.744	S	S	.	*			trans	-73.8	61.5	176.8	41.7	0	0	0	0	111.9	L359 Y363	L359-T361 PolarHBondContact O-N 3.05Å; T361-Y363 PolarHBondContact O-N 3.29Å
362	N	28.6	Very low	27.3	Very low	104 Å²	104	139.3 Å²	139.3	56%	0.556	74%	0.743	S	S	*	*			trans	-73.2	89.8	-176.7	-142	-37.7	0	0	0	110.5	N360 N364	N360-N362 PolarHBondContact O-N 2.97Å; N362-N364 PolarHBondContact O-N 3.23Å; N362-N364 PolarHBondContact OD1-ND2 3.19Å
363	Y	24.7	Very low	27.4	Very low	207 Å²	207	137.9 Å²	137.9	81%	0.812	74%	0.741	S	S	*	*			trans	-71.4	58.2	-178.2	-101.2	-82	0	0	0	113.4	T361 A365	T361-Y363 PolarHBondContact O-N 3.29Å; Y363-A365 PolarHBondContact O-N 3.22Å
364	N	28.3	Very low	27.4	Very low	99 Å²	99	142.5 Å²	142.5	53%	0.529	75%	0.746	S	S	.	*			trans	-100	67.8	173.2	-85.9	-59.6	0	0	0	111.1	N362 F366	N362-N364 PolarHBondContact O-N 3.23Å; N362-N364 PolarHBondContact OD1-ND2 3.19Å; N364-F366 VanDerWaalsContact C-N 3.3Å; N364-F366 PolarHBondContact O-N 3.3Å
365	A	27.9	Very low	27.5	Very low	82 Å²	82	141.8 Å²	141.8	68%	0.678	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	13.1	-173.5	0	0	0	0	0	115.3	Y363	Y363-A365 PolarHBondContact O-N 3.22Å
366	F	27.8	Very low	27.6	Very low	214 Å²	214	139.9 Å²	139.9	94%	0.939	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.5	32.5	-175.5	-85.3	-70.6	0	0	0	115.4	N364	N364-F366 VanDerWaalsContact C-N 3.3Å; N364-F366 PolarHBondContact O-N 3.3Å
367	S	27.3	Very low	27.8	Very low	83 Å²	83	141.8 Å²	141.8	58%	0.58	75%	0.75	S	S	*	*			trans	-147.2	98.8	169.7	61.2	0	0	0	0	113.2
368	N	26.8	Very low	27.8	Very low	160 Å²	160	141.3 Å²	141.3	86%	0.856	75%	0.748	S	S	*	*			trans	163.5	84.6	146	-87.9	-36.8	0	0	0	111.6
369	F	27.3	Very low	27.9	Very low	214 Å²	214	136.4 Å²	136.4	94%	0.939	74%	0.74	S	S	*	*			trans	-144.9	50.6	173.5	-117.2	-73.1	0	0	0	114.1
370	S	28	Very low	28.2	Very low	96 Å²	96	136.7 Å²	136.7	67%	0.671	74%	0.742	S	S	*	*			trans	-170.8	95.7	161.4	54.1	0	0	0	0	112.4
371	N	27	Very low	28.3	Very low	141 Å²	141	138 Å²	138	75%	0.754	75%	0.749	S	S	*	*			trans	-169.9	71.7	158.7	-99.7	-9.7	0	0	0	110.8
372	T	29.8	Very low	28.7	Very low	137 Å²	137	139.4 Å²	139.4	84%	0.84	76%	0.762	S	S	*	*			trans	-121.1	91.3	166.8	31.2	0	0	0	0	109	Y374	T372-Y374 PolarHBondContact O-N 2.89Å
373	T	30.5	Very low	28.8	Very low	119 Å²	119	141.7 Å²	141.7	73%	0.73	78%	0.775	S	S	*	*			trans	-67.5	123.8	-176.5	-53.6	0	0	0	0	111.6	S375	T373-S375 PolarHBondContact O-N 3Å
374	Y	26.1	Very low	29.3	Very low	222 Å²	222	139.5 Å²	139.5	87%	0.871	78%	0.775	S	S	*	*			trans	-74.2	104.5	162.9	-89.9	-98	0	0	0	109.5	T372 T376	T372-Y374 PolarHBondContact O-N 2.89Å; Y374-T376 PolarHBondContact O-N 2.95Å
375	S	29.6	Very low	29.7	Very low	102 Å²	102	138.4 Å²	138.4	71%	0.713	79%	0.787	S	S	*	*			trans	-89.6	90.7	172.1	-66.7	0	0	0	0	110.9	T373 V377	T373-S375 PolarHBondContact O-N 3Å; S375-V377 PolarHBondContact O-N 3.39Å
376	T	27.5	Very low	30	Very low	134 Å²	134	142.3 Å²	142.3	82%	0.822	80%	0.797	S	S	*	*			trans	-71.5	108.4	164.3	47.9	0	0	0	0	109.7	Y374	Y374-T376 PolarHBondContact O-N 2.95Å
377	V	31.7	Very low	30.4	Very low	140 Å²	140	137.7 Å²	137.7	85%	0.848	79%	0.791	S	S	*	*			trans	-89.1	132.1	167.2	-178.8	0	0	0	0	108.3	S375	S375-V377 PolarHBondContact O-N 3.39Å
378	N	27	Very low	30.9	Very low	134 Å²	134	142.1 Å²	142.1	72%	0.717	80%	0.803	S	S	*	*			trans	-118	161	-178.2	-163.9	8.8	0	0	0	110.9
379	T	29.4	Very low	31.4	Very low	105 Å²	105	142 Å²	142	64%	0.644	80%	0.801	S	S	*	*			trans	56	118.7	168.5	52.8	0	0	0	0	118.7
380	N	34.1	Very low	31.9	Very low	165 Å²	165	135.8 Å²	135.8	88%	0.882	78%	0.784	S	S	*	*				-149.2	150.7	117.5	-105.1	-38.1	0	0	0	111
381	N	28.3	Very low	32.5	Very low	155 Å²	155	137.8 Å²	137.8	83%	0.829	79%	0.792	S	S	*	*			trans	-87.2	141.8	-170.3	-69.5	-45	0	0	0	113.3
382	S	35.7	Very low	32.9	Very low	114 Å²	114	134.4 Å²	134.4	80%	0.797	79%	0.791	S	S	*	*			trans	-170.8	82.4	137.1	56.7	0	0	0	0	115.1
383	N	29.7	Very low	33.6	Very low	153 Å²	153	134.4 Å²	134.4	82%	0.818	79%	0.793	S	S	*	*				56.5	155.3	123.2	-144.4	4.6	0	0	0	123.5
384	I	35.3	Very low	34	Very low	161 Å²	161	132.2 Å²	132.2	83%	0.826	79%	0.794	S	S	*	*			trans	80.6	121.8	163.4	-55.8	158.7	0	0	0	117.8
385	G	37.1	Very low	34.9	Very low	75 Å²	75	127.2 Å²	127.2	77%	0.773	79%	0.789	S	S	*	*			trans	159	50.3	168.7	0	0	0	0	0	118.2
386	N	33.9	Very low	35.4	Very low	164 Å²	164	129.3 Å²	129.3	88%	0.877	79%	0.792	S	S	*	*			trans	-81.1	141.1	-177.2	-82.7	-18.2	0	0	0	115
387	S	36.9	Very low	36	Very low	117 Å²	117	132.3 Å²	132.3	82%	0.818	80%	0.797	S	S	*	*			trans	174.2	105.3	137	-76.7	0	0	0	0	109.4
388	Q	37.1	Very low	36.4	Very low	177 Å²	177	130.5 Å²	130.5	83%	0.827	79%	0.79	S	S	*	*				93.6	152.2	65.7	-98.1	-143	-15.8	0	0	115.6
389	L	37.7	Very low	37.1	Very low	157 Å²	157	133.5 Å²	133.5	82%	0.822	80%	0.8	S	S	*	*			trans	71.5	141.3	177.5	-63	115.3	0	0	0	117.5
390	S	38	Very low	37.5	Very low	84 Å²	84	133.9 Å²	133.9	59%	0.587	81%	0.807	S	S	*	*			cis	-167.5	146.6	-20.5	-170.9	0	0	0	0	111.7
391	T	39.8	Very low	38	Very low	137 Å²	137	133.1 Å²	133.1	84%	0.84	81%	0.809	S	S	*	*			trans	43.9	138.1	149.5	48.6	0	0	0	0	121.4
392	G	35.6	Very low	38.4	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	81%	0.807	S	S	*	*			cis	-178.6	179	5	0	0	0	0	0	112.3
393	P	44.2	Very low	38.6	Very low	138 Å²	138	131.4 Å²	131.4	90%	0.896	81%	0.808	S	S	*	*			trans	-108.2	159.7	-163.1	39.2	-33.7	0	0	0	116.3
394	G	38.6	Very low	39.2	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	80%	0.802	S	S	*	*			trans	-166.8	148.7	167.2	0	0	0	0	0	112.1
395	P	46.6	Very low	39.6	Very low	117 Å²	117	127.4 Å²	127.4	76%	0.76	80%	0.802	S	S	*	*			trans	-124.6	171.7	-158.1	42.2	-28.8	0	0	0	117.1
396	N	38.7	Very low	40	Very low	147 Å²	147	134 Å²	134	79%	0.786	81%	0.81	S	S	*	*			trans	39.8	121.8	151.9	-65	-1.6	0	0	0	121
397	E	40.4	Very low	39.9	Very low	196 Å²	196	137.6 Å²	137.6	92%	0.916	81%	0.811	S	S	*	*				-137.2	158.6	127.3	-80.3	-148.5	124	0	0	110.4
398	S	39.9	Very low	40	Very low	102 Å²	102	137.3 Å²	137.3	71%	0.713	81%	0.809	S	S	*	*			trans	-119.3	152.6	-174.4	-57.9	0	0	0	0	111.7
399	Q	42.4	Very low	40.1	Very low	197 Å²	197	134.5 Å²	134.5	92%	0.921	80%	0.804	S	S	*	*			trans	-156.8	144.4	152.4	-117.9	152.5	98.9	0	0	112.3
400	S	38.1	Very low	40.1	Very low	114 Å²	114	132.9 Å²	132.9	80%	0.797	80%	0.803	S	S	*	*			trans	-122.2	142	-171.9	-49.3	0	0	0	0	110.8
401	T	42.9	Very low	40.3	Very low	149 Å²	149	138 Å²	138	91%	0.914	82%	0.817	S	S	*	*			trans	-138.5	155	153.3	50.8	0	0	0	0	109.3
402	S	38.7	Very low	40.1	Very low	114 Å²	114	140.4 Å²	140.4	80%	0.797	82%	0.819	S	S	*	*			trans	-141.2	149.4	-165.9	54	0	0	0	0	112
403	S	39.4	Very low	40.2	Very low	118 Å²	118	142.4 Å²	142.4	83%	0.825	82%	0.822	S	S	*	*			trans	-174.1	155.9	145.9	-86.3	0	0	0	0	112.1
404	P	42.6	Very low	39.7	Very low	105 Å²	105	143.2 Å²	143.2	68%	0.682	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-95.7	168.8	-166.6	37.9	-36.8	0	0	0	114.9
405	P	43.8	Very low	39.5	Very low	126 Å²	126	147.6 Å²	147.6	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-80.2	153.4	-177.8	32.7	-36.7	0	0	0	114.3
406	F	44.2	Very low	38.7	Very low	214 Å²	214	145.2 Å²	145.2	94%	0.939	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-93.9	157.2	174.7	-91.1	-92.7	0	0	0	113.5
407	R	32.4	Very low	38.3	Very low	238 Å²	238	148 Å²	148	90%	0.898	83%	0.826	S	S	*	*			trans	-120.8	116.4	-170.2	169.5	-173	175.8	-114.9	3.6	111.7
408	S	39.2	Very low	37.8	Very low	111 Å²	111	144.2 Å²	144.2	78%	0.776	82%	0.821	S	S	*	*			trans	-169.7	146.8	158.3	-87.6	0	0	0	0	107.9
409	T	39.8	Very low	37.5	Very low	119 Å²	119	145.2 Å²	145.2	73%	0.73	83%	0.825	S	S	*	*			cis	-156.1	152.1	-13.6	9.8	0	0	0	0	107.4
410	P	36.8	Very low	36.8	Very low	123 Å²	123	143.1 Å²	143.1	80%	0.799	82%	0.815	S	S	*	*			trans	-82.7	137.2	171.3	33.5	-31.1	0	0	0	110.9
411	E	41.5	Very low	36.5	Very low	190 Å²	190	144.7 Å²	144.7	89%	0.888	81%	0.814	S	S	*	*			trans	-116.5	145	163.6	-72.5	-170.3	146.4	0	0	109.4
412	E	35.3	Very low	36.1	Very low	189 Å²	189	145.3 Å²	145.3	88%	0.883	80%	0.804	S	S	*	*			trans	-90.3	144.7	-164.9	-62	163.7	129.7	0	0	112.3
413	S	38.3	Very low	36.2	Very low	112 Å²	112	143 Å²	143	78%	0.783	78%	0.782	S	S	*	*			trans	-159.3	58.9	162.2	34.3	0	0	0	0	111.4	I415	S413-I415 PolarHBondContact O-N 3.46Å
414	D	33	Very low	36.1	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	77%	0.77	S	S	*	*			trans	-62.2	116.4	170.2	-91.1	-47.2	0	0	0	111.1
415	I	35.7	Very low	36.1	Very low	164 Å²	164	139.6 Å²	139.6	84%	0.841	75%	0.748	S	S	*	*			trans	-127.3	88.2	166.5	-56.5	-176.6	0	0	0	109.7	S413	S413-I415 PolarHBondContact O-N 3.46Å
416	G	30.3	Very low	35.9	Very low	68 Å²	68	137 Å²	137	70%	0.701	73%	0.733	S	S	*	*			trans	59	74.4	140.9	0	0	0	0	0	118.2	S418	G416-S418 PolarHBondContact O-N 3.31Å
417	F	29.3	Very low	35.7	Very low	206 Å²	206	132.6 Å²	132.6	90%	0.904	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-53.7	127.2	155.9	-82.8	-100.9	0	0	0	110.5
418	S	30.5	Very low	36.2	Very low	115 Å²	115	123.7 Å²	123.7	80%	0.804	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-103.5	126	162	-72.2	0	0	0	0	109.4	G416	G416-S418 PolarHBondContact O-N 3.31Å
419	P	33.3	Very low	36.1	Very low	124 Å²	124	123.6 Å²	123.6	81%	0.805	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-77.9	142.3	-170.3	30	-35	0	0	0	113.5	L421	P419-L421 PolarHBondContact O-N 3.01Å
420	H	28	Very low	35.6	Very low	153 Å²	153	120.1 Å²	120.1	71%	0.708	67%	0.671	S	S	*	*			trans	-5.6	100.2	166.8	-71.2	-55.3	0	0	0	118.8	K422	H420-K422 VanDerWaalsContact C-N 3.28Å; H420-K422 HydrophobicContact CB-CG 4.18Å; H420-K422 PolarHBondContact O-N 2.77Å
421	L	30.7	Very low	35.3	Very low	147 Å²	147	121.9 Å²	121.9	77%	0.77	67%	0.674	S	S	*	*			trans	-83.1	77.3	140.2	-84.7	169.8	0	0	0	109.2	P419 I423	P419-L421 PolarHBondContact O-N 3.01Å; L421-I423 VanDerWaalsContact C-N 3.35Å; L421-I423 PolarHBondContact O-N 3.1Å
422	K	36.2	Very low	35.1	Very low	161 Å²	161	120.6 Å²	120.6	70%	0.7	67%	0.673	S	S	*	*			trans	-70.6	94.4	164.1	-79.9	-178.1	179.6	179.9	0	108	H420 N424	H420-K422 VanDerWaalsContact C-N 3.28Å; H420-K422 HydrophobicContact CB-CG 4.18Å; H420-K422 PolarHBondContact O-N 2.77Å; K422-N424 PolarHBondContact O-N 2.9Å
423	I	41	Very low	35.1	Very low	66 Å²	66	120.2 Å²	120.2	34%	0.338	67%	0.671	S	S	.	*			trans	-63.6	101.8	171.7	-56	179.4	0	0	0	107.3	A100 L421 L425	A100-I423 HydrophobicContact CB-CD1 4.46Å; L421-I423 VanDerWaalsContact C-N 3.35Å; L421-I423 PolarHBondContact O-N 3.1Å; I423-L425 VanDerWaalsContact C-N 3.32Å; I423-L425 HydrophobicContact CG2-CD2 4.47Å; I423-L425 HydrophobicContact CG2-CG 4.32Å; I423-L425 PolarHBondContact O-N 3.4Å
424	N	36.2	Very low	34.9	Very low	107 Å²	107	122.3 Å²	122.3	57%	0.572	67%	0.672	S	S	*	*			trans	-82.6	81.1	-174.4	-163.7	28	0	0	0	110.3	K422 S426 N427	K422-N424 PolarHBondContact O-N 2.9Å; N424-S426 PolarHBondContact ND2-OG 2.82Å; N424-S426 PolarHBondContact O-N 3.36Å; N424-S426 PolarHBondContact OD1-OG 3.09Å; N424-N427 PolarHBondContact ND2-OD1 3.48Å; N424-N427 PolarHBondContact O-N 2.87Å
425	L	41.9	Very low	35.1	Very low	44 Å²	44	124 Å²	124	23%	0.23	68%	0.675	C	S	.	*	G	3₁₀ helix	trans	-55.6	-14.7	-176.7	-72.4	154.5	0	0	0	114.1	A161 I423 N427 I428	A161-L425 HydrophobicContact CB-CB 3.88Å; A161-L425 HydrophobicContact CB-CD1 3.94Å; A161-L425 HydrophobicContact CB-CD2 4.38Å; A161-L425 HydrophobicContact CB-CG 4.28Å; I423-L425 VanDerWaalsContact C-N 3.32Å; I423-L425 HydrophobicContact CG2-CD2 4.47Å; I423-L425 HydrophobicContact CG2-CG 4.32Å; I423-L425 PolarHBondContact O-N 3.4Å; L425-N427 PolarHBondContact O-N 3.18Å; L425-I428 HydrophobicContact CD2-CD1 3.98Å; L425-I428 PolarHBondContact O-N 2.94Å
426	S	41.2	Very low	35.3	Very low	72 Å²	72	122.7 Å²	122.7	50%	0.503	67%	0.67	S	S	.	*	G	3₁₀ helix	trans	-56.8	-30.6	171.1	58.7	0	0	0	0	113.5	N424 I428	N424-S426 PolarHBondContact ND2-OG 2.82Å; N424-S426 PolarHBondContact O-N 3.36Å; N424-S426 PolarHBondContact OD1-OG 3.09Å; S426-I428 VanDerWaalsContact C-N 3.29Å; S426-I428 PolarHBondContact O-N 2.79Å
427	N	39.5	Very low	35.4	Very low	122 Å²	122	127.4 Å²	127.4	65%	0.652	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-85.3	0.8	-173.3	-66.2	29.6	0	0	0	113.2	N424 L425	N424-N427 PolarHBondContact ND2-OD1 3.48Å; N424-N427 PolarHBondContact O-N 2.87Å; L425-N427 PolarHBondContact O-N 3.18Å
428	I	42.4	Very low	35.6	Very low	50 Å²	50	122.5 Å²	122.5	26%	0.256	67%	0.669	S	S	.	*	G	3₁₀ helix	trans	-88.2	-13.3	176.5	-56.4	-170.2	0	0	0	111.4	K154 L157 L425 S426	K154-I428 HydrophobicContact CG-CG2 4.23Å; L157-I428 HydrophobicContact CB-CD1 4.44Å; L157-I428 HydrophobicContact CD1-CD1 3.91Å; L425-I428 HydrophobicContact CD2-CD1 3.98Å; L425-I428 PolarHBondContact O-N 2.94Å; S426-I428 VanDerWaalsContact C-N 3.29Å; S426-I428 PolarHBondContact O-N 2.79Å
429	V	37.1	Very low	35.6	Very low	110 Å²	110	124.8 Å²	124.8	67%	0.667	67%	0.673	S	S	*	*	S	Bend	trans	-133.9	64.3	-177	-166.8	0	0	0	0	110.8	A158	A158-V429 HydrophobicContact CB-CG2 4.18Å
430	G	29.9	Very low	35.6	Very low	45 Å²	45	127.2 Å²	127.2	46%	0.464	67%	0.667	S	S	.	*	S	Bend	trans	169	133.5	170.3	0	0	0	0	0	113.6
431	N	30.9	Very low	35.8	Very low	160 Å²	160	129.7 Å²	129.7	86%	0.856	67%	0.671	S	S	*	*			trans	66	95.2	176.7	-42.4	-34.8	0	0	0	114.8
432	D	36.5	Very low	35.7	Very low	163 Å²	163	129.9 Å²	129.9	87%	0.872	67%	0.673	S	S	*	*			trans	-165.1	66.2	152.5	-90.2	-28	0	0	0	107.1
433	E	34.9	Very low	35.4	Very low	182 Å²	182	131.5 Å²	131.5	85%	0.85	68%	0.675	S	S	*	*			trans	-97.7	144.7	158.7	-69.3	-173.3	157.8	0	0	107.3
434	I	35.4	Very low	34.8	Very low	155 Å²	155	137.6 Å²	137.6	80%	0.795	70%	0.702	S	S	*	*			trans	77.1	90.6	-175.1	-44.7	157.9	0	0	0	114.6
435	E	37.3	Very low	34.5	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	71%	0.706	S	S	*	*				-139.5	120.7	127.1	-83	-149.7	144	0	0	108.7
436	D	38.1	Very low	33.8	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	74%	0.739	S	S	*	*			trans	-92	154.3	176.4	-69.8	-61.6	0	0	0	111.8	C438	D436-C438 PolarHBondContact O-N 3.37Å
437	D	32.8	Very low	33.3	Very low	166 Å²	166	141.9 Å²	141.9	89%	0.888	75%	0.747	S	S	*	*			trans	12.7	92	163.3	-72.3	-18.8	0	0	0	118.8
438	C	33.6	Very low	32.6	Very low	104 Å²	104	139.9 Å²	139.9	70%	0.703	76%	0.755	S	S	*	*			trans	-110.4	99.5	165.4	-82	0	0	0	0	112.6	D436 Y440	D436-C438 PolarHBondContact O-N 3.37Å; C438-Y440 PolarHBondContact O-N 3.47Å; C438-Y440 VanDerWaalsContact O-N 3.14Å
439	N	31.7	Very low	31.9	Very low	163 Å²	163	147.4 Å²	147.4	87%	0.872	79%	0.787	S	S	*	*			trans	-61.5	108.1	166.7	-89.5	-60.2	0	0	0	110.7	Y441	N439-Y441 PolarHBondContact O-N 2.76Å; N439-Y441 VanDerWaalsContact O-N 3.12Å
440	Y	32.9	Very low	31.5	Very low	175 Å²	175	150 Å²	150	69%	0.686	80%	0.796	S	S	*	*			trans	-89.5	67.2	-178.6	-136.4	-81.4	0	0	0	113.1	C438 R443	C438-Y440 PolarHBondContact O-N 3.47Å; C438-Y440 VanDerWaalsContact O-N 3.14Å; Y440-R443 HydrophobicContact CE1-CB 4.48Å
441	Y	32.1	Very low	31.3	Very low	205 Å²	205	153.9 Å²	153.9	80%	0.804	81%	0.811	S	S	*	*			trans	-105.3	125.4	161.1	-105.6	-86.5	0	0	0	109.3	N439	N439-Y441 PolarHBondContact O-N 2.76Å; N439-Y441 VanDerWaalsContact O-N 3.12Å
442	N	29.1	Very low	31.1	Very low	150 Å²	150	151.5 Å²	151.5	80%	0.802	81%	0.807	S	S	*	*			trans	53.9	85.7	170.8	-59.7	-24.5	0	0	0	116.7
443	R	29	Very low	30.6	Very low	196 Å²	196	149 Å²	149	74%	0.74	80%	0.797	S	S	*	*			trans	-126.5	107.8	147	-77.6	-169.2	179.9	-117.8	4.3	110.6	Y440 C445	Y440-R443 HydrophobicContact CE1-CB 4.48Å; R443-C445 PolarHBondContact O-N 3.32Å
444	E	28.5	Very low	30.3	Very low	193 Å²	193	146.4 Å²	146.4	90%	0.902	79%	0.794	S	S	*	*			trans	-71.8	112.5	157.4	-65.6	179.3	121.9	0	0	107.8	T446	E444-T446 PolarHBondContact O-N 3.04Å
445	C	29.1	Very low	29.9	Very low	99 Å²	99	144.3 Å²	144.3	67%	0.669	79%	0.789	S	S	*	*			trans	-99.6	73.5	-179.2	-76.9	0	0	0	0	111.4	R443 G447	R443-C445 PolarHBondContact O-N 3.32Å; C445-G447 PolarHBondContact O-N 2.97Å
446	T	28.7	Very low	29.5	Very low	149 Å²	149	141.6 Å²	141.6	91%	0.914	79%	0.785	S	S	*	*			trans	-73.5	76.4	163.3	41.1	0	0	0	0	110.2	E444	E444-T446 PolarHBondContact O-N 3.04Å
447	G	29.3	Very low	28.9	Very low	66 Å²	66	141.1 Å²	141.1	68%	0.68	79%	0.787	S	S	*	*			trans	-135.1	109.4	178.4	0	0	0	0	0	111	C445	C445-G447 PolarHBondContact O-N 2.97Å
448	G	24.5	Very low	28.7	Very low	80 Å²	80	139.5 Å²	139.5	83%	0.825	78%	0.783	S	S	*	*			trans	-76.1	146.9	-172	0	0	0	0	0	114.2
449	F	29.2	Very low	28.4	Very low	208 Å²	208	139.8 Å²	139.8	91%	0.912	79%	0.787	S	S	*	*			trans	-111.1	148.7	157.1	-109.3	-96.7	0	0	0	110.4	T451	F449-T451 PolarHBondContact O-N 3.3Å
450	L	28	Very low	28.3	Very low	164 Å²	164	137.9 Å²	137.9	86%	0.859	79%	0.786	S	S	*	*			trans	-71.5	125.8	-160.4	-69	159.6	0	0	0	113.8	S452	L450-S452 PolarHBondContact O-N 3.25Å
451	T	25.1	Very low	28.3	Very low	127 Å²	127	135.2 Å²	135.2	78%	0.779	79%	0.793	S	S	*	*			trans	-77.3	96.6	167.1	51.7	0	0	0	0	110.9	F449 T453	F449-T451 PolarHBondContact O-N 3.3Å; T451-T453 VanDerWaalsContact C-N 3.33Å; T451-T453 PolarHBondContact O-N 3Å
452	S	26.7	Very low	28.1	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	79%	0.793	S	S	*	*			trans	-78.6	79.8	169.8	-66.8	0	0	0	0	111	L450 T454	L450-S452 PolarHBondContact O-N 3.25Å; S452-T454 PolarHBondContact O-N 3.31Å
453	T	27	Very low	28.1	Very low	109 Å²	109	134 Å²	134	67%	0.669	80%	0.797	S	S	*	*			trans	-79.7	95.7	-179.1	-50.7	0	0	0	0	111.4	T451 T455	T451-T453 VanDerWaalsContact C-N 3.33Å; T451-T453 PolarHBondContact O-N 3Å; T453-T455 HydrophobicContact CG2-CG2 4.34Å; T453-T455 PolarHBondContact O-N 3.16Å; T453-T455 VanDerWaalsContact O-N 3.1Å
454	T	27.6	Very low	28.3	Very low	129 Å²	129	131.6 Å²	131.6	79%	0.791	80%	0.804	S	S	*	*			trans	-78.5	92	177.5	-41.2	0	0	0	0	111.5	S452 T456	S452-T454 PolarHBondContact O-N 3.31Å; T454-T456 PolarHBondContact O-N 3.04Å
455	T	27.4	Very low	28.3	Very low	111 Å²	111	126.9 Å²	126.9	68%	0.681	80%	0.798	S	S	*	*			trans	-75.8	110.4	175.2	49.8	0	0	0	0	112	T453	T453-T455 HydrophobicContact CG2-CG2 4.34Å; T453-T455 PolarHBondContact O-N 3.16Å; T453-T455 VanDerWaalsContact O-N 3.1Å
456	T	29.9	Very low	28.5	Very low	132 Å²	132	128 Å²	128	81%	0.81	81%	0.807	S	S	*	*			trans	-89.8	100.6	172.2	37.8	0	0	0	0	111.7	T454	T454-T456 PolarHBondContact O-N 3.04Å
457	T	24.6	Very low	28.6	Very low	127 Å²	127	127.1 Å²	127.1	78%	0.779	80%	0.802	S	S	*	*			trans	-95.4	105.2	175.1	51.9	0	0	0	0	111.4
458	V	27.8	Very low	28.7	Very low	133 Å²	133	131.2 Å²	131.2	81%	0.806	81%	0.805	S	S	*	*			trans	-136.8	100.5	165.9	-168.2	0	0	0	0	111.6
459	S	29.3	Very low	29.2	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	80%	0.801	S	S	*	*			trans	31.1	106.7	143.5	-50.1	0	0	0	0	119.9	S461	S459-S461 PolarHBondContact O-N 3.49Å
460	S	28	Very low	29.2	Very low	122 Å²	122	131.8 Å²	131.8	85%	0.853	80%	0.798	S	S	*	*			trans	-73.5	108.3	153.8	40	0	0	0	0	110.6
461	S	32.6	Very low	29.5	Very low	120 Å²	120	132.1 Å²	132.1	84%	0.839	80%	0.798	S	S	*	*			trans	-82.4	130.6	170.7	46	0	0	0	0	110.6	S459	S459-S461 PolarHBondContact O-N 3.49Å
462	N	29.5	Very low	29.8	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	80%	0.8	S	S	*	*			trans	-142.1	139	-173.8	-138.1	-8.1	0	0	0	110.3
463	M	28.5	Very low	29.8	Very low	180 Å²	180	133.9 Å²	133.9	89%	0.887	80%	0.798	S	S	*	*			trans	66	134.1	-174.5	-36.9	-165.6	86.6	0	0	112.9
464	T	33.6	Very low	30	Very low	145 Å²	145	137.5 Å²	137.5	89%	0.89	81%	0.805	S	S	*	*			cis	-131.3	162.7	47.1	45.9	0	0	0	0	114.6
465	A	27.4	Very low	30.1	Very low	94 Å²	94	139.2 Å²	139.2	78%	0.777	80%	0.804	S	S	*	*			trans	-101.2	147.2	-176.4	0	0	0	0	0	113.8
466	S	33.2	Very low	30.4	Very low	123 Å²	123	142.9 Å²	142.9	86%	0.86	81%	0.81	S	S	*	*			trans	-151.6	84.8	160.5	-91.9	0	0	0	0	112.2
467	T	30.5	Very low	30.1	Very low	130 Å²	130	145.9 Å²	145.9	80%	0.798	81%	0.808	S	S	*	*			trans	11.4	119.8	142.4	-48.3	0	0	0	0	119.3
468	M	32.2	Very low	30.5	Very low	151 Å²	151	149 Å²	149	74%	0.744	81%	0.814	S	S	*	*				-171	121.8	120.3	-90.4	-107.5	179.6	0	0	113.5
469	K	34.9	Very low	30.3	Very low	171 Å²	171	150 Å²	150	74%	0.743	81%	0.81	S	S	*	*			trans	53.3	108.6	145.4	-61.8	175.5	-179.9	171.2	0	120.5
470	P	28.8	Very low	30.4	Very low	130 Å²	130	149.7 Å²	149.7	84%	0.844	81%	0.808	S	S	*	*			trans	-79.1	155.8	155.1	34.8	-33.4	0	0	0	111.7
471	I	34.3	Very low	30.5	Very low	170 Å²	170	152.7 Å²	152.7	87%	0.872	81%	0.808	S	S	*	*			trans	-129.1	151	169	-73.5	-179.6	0	0	0	109.2
472	L	31.9	Very low	30.3	Very low	155 Å²	155	156.1 Å²	156.1	81%	0.812	80%	0.804	S	S	*	*			trans	-74.6	154.7	-160	-128.7	77	0	0	0	115.8
473	T	26.2	Very low	30.5	Very low	119 Å²	119	157 Å²	157	73%	0.73	81%	0.809	S	S	*	*			trans	-45.3	149	163.3	50.2	0	0	0	0	114.8
474	K	32.6	Very low	30.6	Very low	186 Å²	186	154.5 Å²	154.5	81%	0.809	80%	0.799	S	S	*	*			trans	-145.4	121	136.5	-152.8	173.7	-172.4	-179.9	0	111.2
475	E	28.7	Very low	30.5	Very low	165 Å²	165	155 Å²	155	77%	0.771	80%	0.796	S	S	*	*			trans	-73.5	151.2	174.2	-59.8	174.1	135.7	0	0	110.6
476	F	33.8	Very low	30.8	Very low	188 Å²	188	159.3 Å²	159.3	83%	0.825	80%	0.8	S	S	*	*			trans	-131.3	97.8	161.8	-100.6	-84.5	0	0	0	109.1
477	Y	24.5	Very low	30.7	Very low	195 Å²	195	162.5 Å²	162.5	77%	0.765	80%	0.801	S	S	*	*			trans	-63.2	132.8	161.4	-111.5	-100.7	0	0	0	109
478	Q	31.4	Very low	30.4	Very low	192 Å²	192	166.5 Å²	166.5	90%	0.897	80%	0.803	S	S	*	*			trans	-138.6	121	156.9	-158.4	162.6	7.2	0	0	110
479	Q	25.2	Very low	30.5	Very low	153 Å²	153	162.8 Å²	162.8	72%	0.715	80%	0.797	S	S	*	*			trans	-96	129.3	-167.5	-170.3	100.2	-6.1	0	0	110.4
480	S	29.9	Very low	30.1	Very low	105 Å²	105	165.7 Å²	165.7	73%	0.734	80%	0.804	S	S	*	*			trans	-156.1	115.3	161.4	60.4	0	0	0	0	112.7
481	H	31.8	Very low	30.4	Very low	184 Å²	184	167.5 Å²	167.5	85%	0.852	80%	0.801	S	S	*	*			trans	53.4	107.8	159	-72.4	-82.4	0	0	0	120
482	Y	26.5	Very low	30.2	Very low	193 Å²	193	170.3 Å²	170.3	76%	0.757	80%	0.801	S	S	*	*			trans	-64.3	148.5	144.6	-80.4	-121.8	0	0	0	109.8
483	D	34.1	Very low	30	Very low	169 Å²	169	172.1 Å²	172.1	90%	0.904	80%	0.802	S	S	*	*			trans	-135.2	132.2	142	-125.6	-32.3	0	0	0	106
484	D	30.8	Very low	30.2	Very low	126 Å²	126	173.7 Å²	173.7	67%	0.674	81%	0.806	S	S	*	*			trans	-76.3	164.9	-172.9	-72.9	-59.4	0	0	0	112.6
485	N	32.7	Very low	30.1	Very low	155 Å²	155	172 Å²	172	83%	0.829	81%	0.806	S	S	*	*			trans	128.8	74.8	164.1	-71.3	-63.4	0	0	0	113.6
486	H	32	Very low	30.2	Very low	185 Å²	185	170.6 Å²	170.6	86%	0.856	81%	0.808	S	S	*	*			trans	-126.8	84.5	162.6	-87.9	21	0	0	0	110
487	E	30.9	Very low	30	Very low	191 Å²	191	164.8 Å²	164.8	89%	0.893	80%	0.801	S	S	*	*			trans	-77.8	135.5	172.1	-170.1	172.3	-177.2	0	0	110.7	A489	E487-A489 PolarHBondContact O-N 2.77Å
488	Y	25.9	Very low	30.3	Very low	213 Å²	213	162.3 Å²	162.3	84%	0.835	80%	0.8	S	S	*	*			trans	-81.4	97.4	-172.3	-87	-109.2	0	0	0	112.4
489	A	33.2	Very low	30.1	Very low	74 Å²	74	159.9 Å²	159.9	61%	0.612	79%	0.793	S	S	*	*			trans	-101	104.7	172.1	0	0	0	0	0	112.4	E487 H491	E487-A489 PolarHBondContact O-N 2.77Å; A489-H491 VanDerWaalsContact C-N 3.34Å; A489-H491 PolarHBondContact O-N 3.48Å
490	Y	27.9	Very low	30.5	Very low	232 Å²	232	158.7 Å²	158.7	91%	0.91	79%	0.791	S	S	*	*			trans	-70.5	79	174.7	-103.7	-94.4	0	0	0	111.9	R492	Y490-R492 PolarHBondContact O-N 3.38Å
491	H	33.2	Very low	30.4	Very low	167 Å²	167	158.3 Å²	158.3	77%	0.773	79%	0.788	S	S	*	*			trans	-81.7	113.3	175.5	-89.1	-78	0	0	0	113	A489 K493	A489-H491 VanDerWaalsContact C-N 3.34Å; A489-H491 PolarHBondContact O-N 3.48Å; H491-K493 PolarHBondContact O-N 3.46Å
492	R	30.1	Very low	30.5	Very low	229 Å²	229	154.5 Å²	154.5	86%	0.864	77%	0.774	S	S	*	*			trans	-60.5	97.8	171.6	-178.3	-169.8	-65.3	-172	-0.4	110.5	Y490 N494	Y490-R492 PolarHBondContact O-N 3.38Å; R492-N494 PolarHBondContact O-N 3.23Å
493	K	29.5	Very low	30.6	Very low	194 Å²	194	151.6 Å²	151.6	84%	0.843	77%	0.771	S	S	*	*			trans	-75.8	106.7	169.2	-72.7	-173.6	173.8	-170.8	0	110.1	H491	H491-K493 PolarHBondContact O-N 3.46Å
494	N	30.4	Very low	30.4	Very low	151 Å²	151	151.9 Å²	151.9	81%	0.807	76%	0.761	S	S	*	*			trans	-163.5	40.2	161.9	-106.1	-7.7	0	0	0	113.3	R492	R492-N494 PolarHBondContact O-N 3.23Å
495	D	28.9	Very low	30.5	Very low	152 Å²	152	153.9 Å²	153.9	81%	0.813	77%	0.766	S	S	*	*			trans	-126	72.3	179.7	-77.5	-67.5	0	0	0	112.2	G497	D495-G497 VanDerWaalsContact C-N 3.27Å; D495-G497 PolarHBondContact O-N 2.69Å
496	V	31.2	Very low	30.3	Very low	135 Å²	135	150.7 Å²	150.7	82%	0.818	76%	0.755	S	S	*	*			trans	-94.5	66.9	160.1	-173.9	0	0	0	0	107.9	I498	V496-I498 PolarHBondContact O-N 3.43Å
497	G	29.8	Very low	30.4	Very low	65 Å²	65	146.2 Å²	146.2	67%	0.67	75%	0.745	S	S	*	*			trans	-67.5	99.8	178.2	0	0	0	0	0	111.2	D495 N499	D495-G497 VanDerWaalsContact C-N 3.27Å; D495-G497 PolarHBondContact O-N 2.69Å; G497-N499 PolarHBondContact O-N 2.74Å
498	I	31.7	Very low	30.5	Very low	143 Å²	143	142.8 Å²	142.8	73%	0.733	74%	0.739	S	S	*	*			trans	-69.7	110.9	170	-55.1	174.5	0	0	0	107.4	V496 L500	V496-I498 PolarHBondContact O-N 3.43Å; I498-L500 PolarHBondContact O-N 3.43Å
499	N	27.2	Very low	30.8	Very low	141 Å²	141	139.1 Å²	139.1	75%	0.754	73%	0.732	S	S	*	*			trans	-61.2	107.9	178.4	-89	-44.1	0	0	0	111.1	G497	G497-N499 PolarHBondContact O-N 2.74Å
500	L	31.8	Very low	30.9	Very low	128 Å²	128	144.7 Å²	144.7	67%	0.67	74%	0.743	S	S	*	*			trans	-125.3	31.9	166	-73.2	172.5	0	0	0	110.5	I498 D502	I498-L500 PolarHBondContact O-N 3.43Å; L500-D502 PolarHBondContact O-N 3.32Å; L500-D502 VanDerWaalsContact O-N 3.13Å
501	S	29.2	Very low	30.9	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	73%	0.734	S	S	*	*			trans	-83.7	46.9	174.5	63.9	0	0	0	0	112.3
502	D	32.5	Very low	30.9	Very low	103 Å²	103	139 Å²	139	55%	0.551	74%	0.736	S	S	*	*	S	Bend	trans	-129.6	103.8	177.5	-88.1	-53.8	0	0	0	110.5	L500 Y504	L500-D502 PolarHBondContact O-N 3.32Å; L500-D502 VanDerWaalsContact O-N 3.13Å; D502-Y504 PolarHBondContact O-N 2.88Å
503	N	30.1	Very low	31	Very low	132 Å²	132	133.2 Å²	133.2	71%	0.706	73%	0.728	S	S	*	*			trans	58.6	36.2	154.6	-58.6	-31.7	0	0	0	120.4	Q505	N503-Q505 PolarHBondContact O-N 3.13Å
504	Y	30.3	Very low	31.1	Very low	176 Å²	176	134.8 Å²	134.8	69%	0.69	73%	0.731	S	S	*	*			trans	-79.7	62.9	160.1	-79.2	-74.2	0	0	0	112.8	D502 C506	D502-Y504 PolarHBondContact O-N 2.88Å; Y504-C506 PolarHBondContact O-N 2.95Å; Y504-C506 VanDerWaalsContact O-N 3.13Å
505	Q	31.4	Very low	31.3	Very low	167 Å²	167	133.1 Å²	133.1	78%	0.78	73%	0.728	S	S	*	*			trans	-80.1	93.7	175.3	-170.4	163	4.8	0	0	110.9	N503 S507	N503-Q505 PolarHBondContact O-N 3.13Å; Q505-S507 VanDerWaalsContact C-N 3.34Å; Q505-S507 PolarHBondContact O-N 3.22Å
506	C	29.5	Very low	31.3	Very low	88 Å²	88	131.6 Å²	131.6	60%	0.595	72%	0.724	S	S	*	*			trans	-66.6	89.1	172.2	-68.2	0	0	0	0	110.6	Y504	Y504-C506 PolarHBondContact O-N 2.95Å; Y504-C506 VanDerWaalsContact O-N 3.13Å
507	S	32.7	Very low	31.4	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	72%	0.724	S	S	*	*			trans	-59.3	135.4	174.3	-71.5	0	0	0	0	111.3	Q505 I509	Q505-S507 VanDerWaalsContact C-N 3.34Å; Q505-S507 PolarHBondContact O-N 3.22Å; S507-I509 PolarHBondContact O-N 3.43Å
508	P	33.6	Very low	31.3	Very low	119 Å²	119	135.6 Å²	135.6	77%	0.773	73%	0.725	S	S	*	*			trans	-68.3	124.5	-178.6	27.2	-34	0	0	0	110.9	K510	P508-K510 PolarHBondContact O-N 2.86Å
509	I	33.1	Very low	31.3	Very low	136 Å²	136	136.3 Å²	136.3	70%	0.697	73%	0.73	S	S	*	*			trans	-67.6	104	176.2	-62.1	173.6	0	0	0	108.8	S507 S511	S507-I509 PolarHBondContact O-N 3.43Å; I509-S511 PolarHBondContact O-N 3.45Å
510	K	34.6	Very low	31.6	Very low	192 Å²	192	137.8 Å²	137.8	84%	0.835	73%	0.733	S	S	*	*			trans	-76.2	104.3	166	-82.3	-171.9	173	-177.1	0	109.4	P508 H512	P508-K510 PolarHBondContact O-N 2.86Å; K510-H512 PolarHBondContact O-N 3.29Å
511	S	28.4	Very low	31.4	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	74%	0.737	S	S	*	*			trans	-72.3	118.9	168.5	43.7	0	0	0	0	110.9	I509	I509-S511 PolarHBondContact O-N 3.45Å
512	H	32.9	Very low	31.5	Very low	176 Å²	176	141.5 Å²	141.5	82%	0.815	74%	0.739	S	S	*	*			trans	-139.6	113.7	161.6	-97	-65.6	0	0	0	109.4	K510	K510-H512 PolarHBondContact O-N 3.29Å
513	P	32.3	Very low	31.2	Very low	108 Å²	108	141.6 Å²	141.6	70%	0.701	75%	0.747	S	S	*	*			trans	-93.3	123.6	177.8	33.6	-29.9	0	0	0	111.2
514	Y	31.4	Very low	31.3	Very low	227 Å²	227	146.7 Å²	146.7	89%	0.89	76%	0.757	S	S	*	*			trans	-152.8	157.3	154.8	-86.7	-57.8	0	0	0	109.4
515	P	33.6	Very low	31.1	Very low	116 Å²	116	147.1 Å²	147.1	75%	0.753	77%	0.765	S	S	*	*			trans	-91.2	160.6	-146.9	34.8	-38.7	0	0	0	115.2
516	V	29.8	Very low	31.1	Very low	119 Å²	119	146.6 Å²	146.6	72%	0.721	77%	0.767	S	S	*	*			trans	-59.8	131.8	169.9	178	0	0	0	0	110.6	N518	V516-N518 WeakPolarHBondContact CG1-OD1 3.35Å
517	N	32.9	Very low	30.9	Very low	156 Å²	156	146.7 Å²	146.7	83%	0.834	77%	0.768	S	S	*	*			trans	-118.2	114	155.6	-167.4	13	0	0	0	108.2
518	N	27.8	Very low	30.6	Very low	128 Å²	128	148.4 Å²	148.4	68%	0.684	77%	0.77	S	S	*	*			trans	-81	119.9	-179.5	-72.1	-36.1	0	0	0	109.6	V516	V516-N518 WeakPolarHBondContact CG1-OD1 3.35Å
519	N	31.6	Very low	30.4	Very low	158 Å²	158	149.4 Å²	149.4	85%	0.845	77%	0.768	S	S	*	*			trans	-179.9	96.8	146.5	-92	-26.2	0	0	0	110.8
520	E	33.3	Very low	30	Very low	173 Å²	173	152.5 Å²	152.5	81%	0.808	77%	0.772	S	S	*	*				176.3	128	121.6	-98	-176.5	-162.6	0	0	110.8
521	I	27.6	Very low	29.8	Very low	148 Å²	148	151.3 Å²	151.3	76%	0.759	78%	0.775	S	S	*	*			trans	-99.7	119.3	180	-62.3	169.1	0	0	0	108.6
522	H	31	Very low	29.7	Very low	155 Å²	155	152.6 Å²	152.6	72%	0.718	77%	0.774	S	S	*	*			trans	-131.8	78.5	169.9	-89.6	106.1	0	0	0	112.2	R524	H522-R524 PolarHBondContact O-N 3.03Å
523	S	26.9	Very low	29.6	Very low	105 Å²	105	153.2 Å²	153.2	73%	0.734	78%	0.777	S	S	*	*			trans	-59.6	127.7	169.3	-56.5	0	0	0	0	111.4
524	R	31.9	Very low	29.4	Very low	239 Å²	239	157.5 Å²	157.5	90%	0.902	78%	0.78	S	S	*	*			trans	-126.6	65.7	165.5	-72.5	-164.2	179.2	-172	2.4	112	H522	H522-R524 PolarHBondContact O-N 3.03Å
525	H	25.9	Very low	29.2	Very low	186 Å²	186	152.7 Å²	152.7	86%	0.861	77%	0.77	S	S	*	*			trans	-75.5	118.9	154.2	-157.2	-81.5	0	0	0	107.4
526	L	32	Very low	28.8	Very low	156 Å²	156	154.8 Å²	154.8	82%	0.817	77%	0.769	S	S	*	*			trans	-167.3	126.1	157.8	-111.4	171.2	0	0	0	111.3
527	S	25.8	Very low	28.7	Very low	89 Å²	89	153.9 Å²	153.9	62%	0.622	77%	0.768	S	S	*	*			trans	-71.6	155.3	162.6	52.2	0	0	0	0	111
528	N	27	Very low	28.5	Very low	128 Å²	128	154.3 Å²	154.3	68%	0.684	77%	0.77	S	S	*	*				-176.8	120.7	126.9	-90.5	-8.7	0	0	0	110.7
529	I	28.3	Very low	28.3	Very low	140 Å²	140	159 Å²	159	72%	0.718	78%	0.779	S	S	*	*				84.3	119.7	97	-68.4	173.3	0	0	0	113.5
530	Y	24.7	Very low	28.1	Very low	200 Å²	200	155.6 Å²	155.6	78%	0.784	77%	0.768	S	S	*	*			trans	7.4	129.3	152.1	-84.1	-113.7	0	0	0	118.7
531	N	30.7	Very low	27.8	Very low	168 Å²	168	153.8 Å²	153.8	90%	0.898	76%	0.764	S	S	*	*				-151.1	154.7	98.7	-109.6	-43.7	0	0	0	112.8
532	N	26	Very low	27.8	Very low	130 Å²	130	152.2 Å²	152.2	70%	0.695	77%	0.766	S	S	*	*			trans	-142.5	121.9	-170.8	-169.7	-3.5	0	0	0	109.1
533	Q	32	Very low	28	Very low	188 Å²	188	149.8 Å²	149.8	88%	0.879	76%	0.764	S	S	*	*			trans	-142.9	108.9	178.7	-118.1	172.2	-10.6	0	0	112.3
534	Y	27	Very low	28	Very low	198 Å²	198	151.4 Å²	151.4	78%	0.776	77%	0.765	S	S	*	*			trans	-14.5	151	142.4	-63.2	-91.5	0	0	0	115.9
535	N	27	Very low	27.8	Very low	126 Å²	126	146.4 Å²	146.4	67%	0.674	76%	0.756	S	S	*	*			cis	-161.3	155.3	24	-137.3	-20.6	0	0	0	115.6
536	H	26.6	Very low	27.9	Very low	160 Å²	160	143.4 Å²	143.4	74%	0.741	75%	0.751	S	S	*	*			trans	30.7	128.1	148.3	-98.8	-113.7	0	0	0	124.5
537	S	26.2	Very low	27.6	Very low	100 Å²	100	147.2 Å²	147.2	70%	0.699	75%	0.754	S	S	*	*			trans	82.7	151.4	134.3	84.1	0	0	0	0	119
538	L	29.2	Very low	27.7	Very low	165 Å²	165	146.6 Å²	146.6	86%	0.864	75%	0.75	S	S	*	*			cis	-133.3	168.2	5.6	-80.8	171.7	0	0	0	112.4
539	Y	24.6	Very low	27.8	Very low	226 Å²	226	147.7 Å²	147.7	89%	0.886	75%	0.751	S	S	*	*			trans	-59.2	149.7	160.7	-90.3	-113	0	0	0	110.3
540	S	26.5	Very low	27.7	Very low	87 Å²	87	147.8 Å²	147.8	61%	0.608	75%	0.751	S	S	*	*				-178.6	159.9	62.1	62.5	0	0	0	0	115.4
541	N	27.4	Very low	27.8	Very low	135 Å²	135	143 Å²	143	72%	0.722	75%	0.747	S	S	*	*			trans	67.4	107	147.5	-60.3	-26	0	0	0	122.5
542	S	28	Very low	27.7	Very low	116 Å²	116	144.4 Å²	144.4	81%	0.811	75%	0.745	S	S	*	*				80.1	157.5	128.7	-75.8	0	0	0	0	120.3
543	P	33.8	Very low	28	Very low	104 Å²	104	144.4 Å²	144.4	68%	0.675	75%	0.75	S	S	*	*			trans	-115.4	159.5	-151.1	41	-31.1	0	0	0	114.4
544	N	27.7	Very low	27.9	Very low	138 Å²	138	141 Å²	141	74%	0.738	74%	0.743	S	S	*	*				-172.6	153	113.9	-93.1	-18.3	0	0	0	111.2
545	N	28.3	Very low	28	Very low	135 Å²	135	137.9 Å²	137.9	72%	0.722	74%	0.739	S	S	*	*			trans	38.7	112.5	147	-57.1	-4	0	0	0	119
546	T	26.8	Very low	28.1	Very low	122 Å²	122	138.7 Å²	138.7	75%	0.748	74%	0.743	S	S	*	*			trans	30.2	114.8	133.1	56.3	0	0	0	0	117.9
547	W	26.8	Very low	28.2	Very low	236 Å²	236	137.6 Å²	137.6	89%	0.894	74%	0.741	S	S	*	*				-151.4	162.2	105.7	-121.6	69	0	0	0	111.2
548	S	27.3	Very low	28.5	Very low	77 Å²	77	140.6 Å²	140.6	54%	0.538	74%	0.744	S	S	.	*			trans	-93.9	178.9	-176.4	44.5	0	0	0	0	112.3
549	H	28.7	Very low	28.4	Very low	150 Å²	150	143.1 Å²	143.1	69%	0.694	74%	0.743	S	S	*	*			trans	87.6	113.2	162.3	-65.8	-73.8	0	0	0	120.9
550	I	26.6	Very low	28.9	Very low	142 Å²	142	141.5 Å²	141.5	73%	0.728	74%	0.744	S	S	*	*				89.6	120.4	122.1	-69.5	172.9	0	0	0	119.8
551	S	26.8	Very low	29	Very low	99 Å²	99	141 Å²	141	69%	0.692	75%	0.745	S	S	*	*			trans	56	108.7	149.9	-64.2	0	0	0	0	122.5
552	K	28.2	Very low	29.1	Very low	199 Å²	199	141.7 Å²	141.7	87%	0.865	75%	0.749	S	S	*	*				21.8	106.9	113.3	-61.1	178.1	178.8	179.6	0	117.6
553	T	32.1	Very low	29.3	Very low	130 Å²	130	142.8 Å²	142.8	80%	0.798	75%	0.745	S	S	*	*				-176.8	112.8	125	30.8	0	0	0	0	106.7
554	T	30.7	Very low	29.3	Very low	117 Å²	117	145.1 Å²	145.1	72%	0.718	75%	0.746	S	S	*	*				84.7	105.9	80.4	-65	0	0	0	0	112.4
555	D	28.4	Very low	29.5	Very low	131 Å²	131	145.6 Å²	145.6	70%	0.701	74%	0.744	S	S	*	*			trans	78.9	110.5	144.1	-66.3	8.2	0	0	0	123.6
556	L	29	Very low	29.6	Very low	144 Å²	144	143.2 Å²	143.2	75%	0.754	74%	0.738	S	S	*	*				98	126.2	119.5	-72.6	172.5	0	0	0	122.4
557	I	30	Very low	30	Very low	137 Å²	137	147 Å²	147	70%	0.703	75%	0.746	S	S	*	*			trans	97.7	122.7	137	-72.6	164.4	0	0	0	120.8
558	Q	31.8	Very low	30.5	Very low	162 Å²	162	140 Å²	140	76%	0.757	74%	0.739	S	S	*	*			trans	45.6	112.2	155.9	-94	60.7	-11.7	0	0	122.7
559	Y	27.6	Very low	31.1	Very low	219 Å²	219	142 Å²	142	86%	0.859	75%	0.75	S	S	*	*				-13.7	130.7	125.7	-97	-104	0	0	0	116.1
560	Q	33.6	Very low	31.4	Very low	192 Å²	192	142.1 Å²	142.1	90%	0.897	76%	0.756	S	S	*	*				-158	159.9	102	-110.6	176.9	-16.3	0	0	111.1
561	A	30.3	Very low	31.8	Very low	76 Å²	76	140.2 Å²	140.2	63%	0.628	76%	0.755	S	S	*	*			trans	-107	149.3	-176.7	0	0	0	0	0	111.2
562	N	29.2	Very low	32.1	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	76%	0.755	S	S	*	*				172.6	163.5	118.1	-92.3	-36.2	0	0	0	114.8
563	L	31.4	Very low	32.5	Very low	139 Å²	139	138.4 Å²	138.4	73%	0.728	75%	0.751	S	S	*	*			trans	70.5	104.3	150	-73.9	157.7	0	0	0	121.3
564	H	33.5	Very low	32.6	Very low	152 Å²	152	137.8 Å²	137.8	70%	0.704	74%	0.742	S	S	*	*				79.6	134.3	121.8	-89.6	-148.3	0	0	0	123.2
565	H	33.5	Very low	32.9	Very low	148 Å²	148	137 Å²	137	69%	0.685	74%	0.738	S	S	*	*			trans	59.5	99.4	143.6	-71.5	62.3	0	0	0	117.8
566	S	29.4	Very low	33.4	Very low	86 Å²	86	137.4 Å²	137.4	60%	0.601	74%	0.74	S	S	*	*				75.6	113.6	71.4	73.7	0	0	0	0	115.2
567	H	36.2	Very low	33.7	Very low	200 Å²	200	137.2 Å²	137.2	93%	0.926	74%	0.735	S	S	*	*			trans	-164.5	177.9	131.1	-104.7	-64.1	0	0	0	111.1
568	A	36.6	Very low	34.1	Very low	90 Å²	90	141.2 Å²	141.2	74%	0.744	74%	0.741	S	S	*	*			trans	-103.2	164.9	-156.1	0	0	0	0	0	114.9
569	P	39.9	Very low	34.3	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	74%	0.74	S	S	*	*			trans	-96.4	165.8	-174.2	38.2	-36.3	0	0	0	115
570	N	35.3	Very low	34.6	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	73%	0.733	S	S	*	*			trans	-158.2	122.6	164.2	-99.3	-50.5	0	0	0	106.8
571	S	33.5	Very low	34.7	Very low	102 Å²	102	133.5 Å²	133.5	71%	0.713	73%	0.73	S	S	*	*				74.9	156.3	97.3	82.9	0	0	0	0	113.3
572	V	34.7	Very low	34.8	Very low	112 Å²	112	134.9 Å²	134.9	68%	0.679	74%	0.735	S	S	*	*			cis	-163.8	148.7	16.1	83.7	0	0	0	0	111
573	L	34.9	Very low	35.2	Very low	149 Å²	149	133.4 Å²	133.4	78%	0.78	73%	0.731	S	S	*	*			trans	59.3	170.8	159.1	-59.8	168.3	0	0	0	118.1
574	N	35.4	Very low	35.7	Very low	116 Å²	116	134 Å²	134	62%	0.62	73%	0.733	S	S	*	*			cis	-146.4	143.2	-2.7	-126.2	13.2	0	0	0	108
575	T	36.8	Very low	36.3	Very low	102 Å²	102	131.7 Å²	131.7	63%	0.626	73%	0.732	S	S	*	*				58	151.6	105.7	83.3	0	0	0	0	117
576	D	38.8	Very low	36.4	Very low	139 Å²	139	132.2 Å²	132.2	74%	0.743	74%	0.739	S	S	*	*			cis	-151.1	177.6	24.2	-110.3	-53.1	0	0	0	115.9
577	E	35.9	Very low	36.9	Very low	140 Å²	140	132.5 Å²	132.5	65%	0.654	74%	0.741	S	S	*	*			trans	-39.2	156.4	176.5	-51	-178	137.3	0	0	120.7
578	R	37.6	Very low	36.9	Very low	221 Å²	221	128.1 Å²	128.1	83%	0.834	73%	0.729	S	S	*	*				-178.6	169.5	93.7	-90.3	-165.5	177.2	175.5	0.6	115.8
579	T	36.9	Very low	37	Very low	119 Å²	119	131 Å²	131	73%	0.73	73%	0.73	S	S	*	*			trans	-142.2	172.8	-156.3	52.7	0	0	0	0	115.1
580	N	34.3	Very low	36.8	Very low	133 Å²	133	129 Å²	129	71%	0.711	72%	0.719	S	S	*	*			trans	87.1	107	152.4	-63.4	-26.1	0	0	0	122.5
581	L	33.9	Very low	36.9	Very low	159 Å²	159	130.2 Å²	130.2	83%	0.832	72%	0.719	S	S	*	*				52.1	129.9	116.7	-71.2	158.8	0	0	0	122.2
582	S	32.8	Very low	37	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	72%	0.723	S	S	*	*				170.3	174.2	108.3	55	0	0	0	0	113.7
583	T	37.1	Very low	36.8	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	73%	0.731	S	S	*	*			trans	80.4	134.9	155.7	-51.8	0	0	0	0	117.9
584	I	43.3	Very low	36.9	Very low	150 Å²	150	133.4 Å²	133.4	77%	0.769	73%	0.732	S	S	*	*			cis	-165.2	163.9	-32.4	-118.2	154.3	0	0	0	109.6
585	P	45.5	Very low	36.7	Very low	105 Å²	105	132.4 Å²	132.4	68%	0.682	73%	0.734	S	S	*	*			trans	-117.6	-142.5	-156.2	44.7	-35.4	0	0	0	116.8
586	L	36.7	Very low	36.7	Very low	158 Å²	158	135.8 Å²	135.8	83%	0.827	75%	0.747	S	S	*	*			trans	87.9	142.8	-176.1	-69.2	97.8	0	0	0	115.9
587	S	38.8	Very low	36.3	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	74%	0.744	S	S	*	*			cis	-159.5	-160.6	-11.9	50.9	0	0	0	0	109
588	T	36.7	Very low	36.2	Very low	109 Å²	109	135.5 Å²	135.5	67%	0.669	75%	0.754	S	S	*	*			cis	-167.5	161.2	13.7	-14.3	0	0	0	0	111.2
589	I	38.4	Very low	36	Very low	151 Å²	151	130.9 Å²	130.9	77%	0.774	75%	0.75	S	S	*	*			trans	68.9	141.8	151.1	-71.6	162.2	0	0	0	119.5
590	S	35.6	Very low	35.8	Very low	76 Å²	76	131.2 Å²	131.2	53%	0.531	75%	0.752	S	S	.	*			cis	-175.1	150.3	-27.1	-90.5	0	0	0	0	112.8
591	H	37.5	Very low	35.8	Very low	177 Å²	177	130.6 Å²	130.6	82%	0.819	75%	0.753	S	S	*	*			trans	61.5	150.7	152.9	-51.3	-34.6	0	0	0	120.1
592	S	35.8	Very low	35.7	Very low	114 Å²	114	130.6 Å²	130.6	80%	0.797	75%	0.753	S	S	*	*			cis	-162.5	155.5	-11.7	41.7	0	0	0	0	112.9
593	F	29.9	Very low	35.7	Very low	194 Å²	194	131.6 Å²	131.6	85%	0.851	76%	0.759	S	S	*	*			trans	-88.6	-173.8	175.1	-90.1	-89.2	0	0	0	112
594	P	37.7	Very low	35.5	Very low	122 Å²	122	131.5 Å²	131.5	79%	0.792	76%	0.764	S	S	*	*			cis	-141.2	-177.3	15.4	40.6	-18.2	0	0	0	119.6
595	S	31.6	Very low	35.2	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	76%	0.764	S	S	*	*			trans	-61.5	164.5	-178.5	-35.3	0	0	0	0	118.5
596	I	35.3	Very low	35	Very low	173 Å²	173	133.2 Å²	133.2	89%	0.887	77%	0.766	S	S	*	*			trans	-140.9	148.2	134.5	-97.8	157.4	0	0	0	108.5
597	T	31	Very low	35.1	Very low	111 Å²	111	132.7 Å²	132.7	68%	0.681	76%	0.764	S	S	*	*			trans	-106	152.6	-173.8	49.8	0	0	0	0	113.1
598	N	33.9	Very low	35.1	Very low	162 Å²	162	138.5 Å²	138.5	87%	0.866	77%	0.772	S	S	*	*			trans	-160.3	112.3	139	-100.2	-23.2	0	0	0	114.3
599	T	34	Very low	35.4	Very low	124 Å²	124	139.1 Å²	139.1	76%	0.761	77%	0.77	S	S	*	*			trans	-56.6	157	158.1	38.5	0	0	0	0	113
600	T	31.9	Very low	35.7	Very low	125 Å²	125	137.5 Å²	137.5	77%	0.767	77%	0.766	S	S	*	*			cis	-158.8	148	-1.4	-88.2	0	0	0	0	108.5
601	T	34.5	Very low	36	Very low	120 Å²	120	137.8 Å²	137.8	74%	0.736	77%	0.769	S	S	*	*			trans	-135.9	137.3	171.6	35.1	0	0	0	0	113.4
602	I	32.6	Very low	36.3	Very low	160 Å²	160	137.3 Å²	137.3	82%	0.821	77%	0.767	S	S	*	*			trans	52.5	94.5	150.7	-50.7	165	0	0	0	117.1
603	S	32.2	Very low	36.5	Very low	124 Å²	124	139.1 Å²	139.1	87%	0.867	77%	0.767	S	S	*	*			trans	-156.5	27.1	161.7	-79.6	0	0	0	0	114.7
604	S	33.6	Very low	37.2	Very low	119 Å²	119	143.9 Å²	143.9	83%	0.832	78%	0.779	S	S	*	*	S	Bend	trans	-110.1	-1.8	-168.7	-163.6	0	0	0	0	116.9
605	M	37	Very low	37.2	Very low	155 Å²	155	145 Å²	145	76%	0.764	78%	0.778	S	S	*	*	S	Bend	trans	-118.8	-21.8	-168.5	-71.4	179.1	67	0	0	116.3	N607	M605-N607 PolarHBondContact O-N 2.9Å
606	N	39.6	Very low	37.5	Very low	135 Å²	135	147.6 Å²	147.6	72%	0.722	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-13.5	-171	-66.6	6.4	0	0	0	114.4
607	N	39.9	Very low	37.6	Very low	147 Å²	147	146.2 Å²	146.2	79%	0.786	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	6.3	-174.6	-69.1	-5.7	0	0	0	114.9	M605	M605-N607 PolarHBondContact O-N 2.9Å
608	R	38.7	Very low	38	Very low	214 Å²	214	148.2 Å²	148.2	81%	0.808	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-19.1	177.8	-108.2	-174.5	-175	-134.6	1.2	115.4	S611	R608-S611 PolarHBondContact O-OG 3.03Å
609	I	42.3	Very low	38.3	Very low	122 Å²	122	147.4 Å²	147.4	63%	0.626	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-26.2	-178.1	-62.2	174	0	0	0	111.1	S611	I609-S611 PolarHBondContact O-N 3.28Å
610	V	44.2	Very low	38.6	Very low	117 Å²	117	148.9 Å²	148.9	71%	0.709	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-9.9	178.1	-173.9	0	0	0	0	112.5
611	S	42.4	Very low	39.1	Very low	83 Å²	83	150.6 Å²	150.6	58%	0.58	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-1.6	-178.9	47.8	0	0	0	0	115.4	R608 I609	R608-S611 PolarHBondContact O-OG 3.03Å; I609-S611 PolarHBondContact O-N 3.28Å
612	E	44.6	Very low	39.4	Very low	167 Å²	167	153 Å²	153	78%	0.78	79%	0.785	S	S	*	*	S	Bend	trans	-119.1	9.2	179.2	-64.7	-174.1	149.6	0	0	112.9
613	L	40.6	Very low	40	Very low	152 Å²	152	152.4 Å²	152.4	80%	0.796	78%	0.782	S	S	*	*			trans	-135.2	30.2	-175.5	-72.3	171.3	0	0	0	113.2
614	R	44.5	Very low	40.7	Very low	294 Å²	294	155 Å²	155	100%	1.109	77%	0.774	S	S	*	*			trans	-138.6	0	167.9	171.9	-175.3	-75.1	-179.3	-3.7	109.1

Retrieved 614 of 614 residues in 543.1 ms (Link to these results)

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