A0A3Q0KQG5_SCHMA Loading...

PDEase domain-containing protein

AlphaFold DB (A0A5K4ESG3), UniProt , Accession A0A3Q0KQG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 686 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	32.5	Very low	30.8	Very low	242 Å²	242	172.2 Å²	172.2	100%	1.192	86%	0.856	S	S	*	*				0	150	0	-82.7	174.8	161.5	0	0	109.3
2	R	31.4	Very low	30.4	Very low	228 Å²	228	167.9 Å²	167.9	86%	0.86	86%	0.856	S	S	*	*			trans	6.5	144.4	154.9	-69.1	175.9	-178.7	172.6	-0.5	119.3
3	R	29.7	Very low	30.2	Very low	215 Å²	215	173.3 Å²	173.3	81%	0.811	86%	0.859	S	S	*	*			cis	-179.5	141.3	-12.6	-128.4	-178.1	-173	177.5	0.2	107.5
4	S	30.8	Very low	30	Very low	98 Å²	98	169.3 Å²	169.3	69%	0.685	86%	0.856	S	S	*	*			trans	44.7	146.9	139.7	73.9	0	0	0	0	121.5
5	R	34.6	Very low	30.1	Very low	225 Å²	225	169.8 Å²	169.8	85%	0.849	85%	0.854	S	S	*	*			cis	-154.2	143.4	33.2	-89.3	-173.8	167.7	149.6	-7.3	111.8
6	T	30.9	Very low	29.8	Very low	119 Å²	119	171.7 Å²	171.7	73%	0.73	86%	0.862	S	S	*	*			trans	0.3	135.1	138.3	55.2	0	0	0	0	120.3
7	D	33.7	Very low	29.7	Very low	171 Å²	171	170.2 Å²	170.2	91%	0.914	85%	0.851	S	S	*	*				-153	140.5	129.4	-108.9	-20	0	0	0	111.2
8	Q	26.9	Very low	29.9	Very low	190 Å²	190	165.3 Å²	165.3	89%	0.888	83%	0.832	S	S	*	*			trans	-99.9	133.2	176.7	-71.9	176.1	-52.7	0	0	110.5
9	K	32.8	Very low	30.1	Very low	215 Å²	215	161.2 Å²	161.2	94%	0.935	81%	0.813	S	S	*	*			trans	-138.6	138.1	153.1	-77.7	-166	176.8	175.3	0	112.1
10	S	27.6	Very low	30.6	Very low	125 Å²	125	156.2 Å²	156.2	87%	0.874	79%	0.788	S	S	*	*			trans	-74.9	133.8	-174.4	49.2	0	0	0	0	113.7
11	G	27.8	Very low	30.9	Very low	66 Å²	66	152.8 Å²	152.8	68%	0.68	78%	0.775	S	S	*	*			trans	-101.5	113.2	167.5	0	0	0	0	0	111.7
12	S	26.2	Very low	31.1	Very low	121 Å²	121	147.5 Å²	147.5	85%	0.846	75%	0.752	S	S	*	*			trans	-81	127.7	174.8	169.5	0	0	0	0	110.8
13	W	27.6	Very low	31.1	Very low	238 Å²	238	146.1 Å²	146.1	90%	0.902	75%	0.752	S	S	*	*			trans	-109	124.4	171.8	-71.5	93.2	0	0	0	110.7
14	S	27.3	Very low	31	Very low	117 Å²	117	142.2 Å²	142.2	82%	0.818	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-80.7	116.4	-177.3	48.9	0	0	0	0	112.2
15	H	31.1	Very low	31	Very low	177 Å²	177	146.1 Å²	146.1	82%	0.819	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-73.4	136.4	168	-81.6	-72.5	0	0	0	111.4
16	M	25.7	Very low	30.7	Very low	200 Å²	200	143.6 Å²	143.6	99%	0.985	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-84.6	118	171.1	-148	177.1	-150.4	0	0	109.2
17	E	27.9	Very low	30.5	Very low	146 Å²	146	148.8 Å²	148.8	68%	0.682	76%	0.763	S	S	*	*			trans	-111.5	131	-174.2	-79.1	-155.4	138.4	0	0	112.4	K109	E17-K109 VanDerWaalsContact CD-CE 3.46Å; E17-K109 IonicContact OE1-NZ 2.67Å; E17-K109 PolarHBondContact OE1-NZ 3.44Å; E17-K109 IonicContact OE2-NZ 3.75Å; E17-K109 PolarHBondContact OE2-NZ 3.38Å
18	V	33.5	Very low	30.4	Very low	83 Å²	83	147.7 Å²	147.7	50%	0.503	76%	0.763	S	S	.	*			trans	-98.5	105.2	168.8	-177.6	0	0	0	0	109	L20 K109	V18-L20 HydrophobicContact CG1-CD2 3.81Å; V18-L20 HydrophobicContact CG1-CG 4.31Å; V18-K109 WeakPolarHBondContact O-CD 3.03Å; V18-K109 WeakPolarHBondContact O-CE 3.25Å; V18-K109 VanDerWaalsContact O-CG 3.27Å; V18-K109 WeakPolarHBondContact O-CG 3.35Å
19	D	34.3	Very low	30.4	Very low	87 Å²	87	147.6 Å²	147.6	47%	0.465	76%	0.76	S	S	.	*			trans	-81.4	122	171.9	-169.8	-8.4	0	0	0	111.1	T21	D19-T21 PolarHBondContact OD1-N 2.97Å; D19-T21 PolarHBondContact OD1-OG1 3.39Å
20	L	40.6	Very low	30.1	Very low	61 Å²	61	144.9 Å²	144.9	32%	0.319	76%	0.756	S	S	.	*			trans	-101.2	11.7	-175.8	-65.1	178.8	0	0	0	113.5	V18 F116 H120	V18-L20 HydrophobicContact CG1-CD2 3.81Å; V18-L20 HydrophobicContact CG1-CG 4.31Å; L20-F116 HydrophobicContact CD1-CE2 4.36Å; L20-H120 WeakPolarHBondContact CD2-NE2 3.43Å
21	T	36.7	Very low	30.3	Very low	85 Å²	85	144.5 Å²	144.5	52%	0.521	75%	0.753	S	S	.	*			trans	-112.1	-10	-171.1	57.7	0	0	0	0	116.6	D19 K23 N110	D19-T21 PolarHBondContact OD1-N 2.97Å; D19-T21 PolarHBondContact OD1-OG1 3.39Å; T21-K23 PolarHBondContact O-N 2.98Å; T21-N110 VanDerWaalsContact CG2-ND2 3.25Å; T21-N110 WeakPolarHBondContact CG2-ND2 3.4Å
22	N	35	Very low	30.1	Very low	131 Å²	131	147.8 Å²	147.8	70%	0.701	77%	0.766	S	S	*	*			trans	-88	104.8	-167.1	-144.6	-27.2	0	0	0	114.2	N24	N22-N24 VanDerWaalsContact C-N 3.31Å; N22-N24 PolarHBondContact O-N 3.02Å
23	K	31.5	Very low	30.1	Very low	198 Å²	198	147.8 Å²	147.8	86%	0.861	76%	0.764	S	S	*	*			trans	-74.8	74	170	-70.5	178.8	178.2	173.1	0	111.1	T21	T21-K23 PolarHBondContact O-N 2.98Å
24	N	29.1	Very low	30	Very low	134 Å²	134	147.7 Å²	147.7	72%	0.717	76%	0.764	S	S	*	*			trans	-168.6	114.2	162.2	-97.6	-35.3	0	0	0	112	N22	N22-N24 VanDerWaalsContact C-N 3.31Å; N22-N24 PolarHBondContact O-N 3.02Å
25	L	30.6	Very low	29.8	Very low	179 Å²	179	150.6 Å²	150.6	94%	0.937	76%	0.757	S	S	*	*			trans	-166.4	100.7	151.9	-108.6	148.3	0	0	0	110.5
26	Q	28.9	Very low	29.5	Very low	172 Å²	172	149 Å²	149	80%	0.804	75%	0.753	S	S	*	*			trans	-83	140.3	167.1	-68.6	-175	-2.6	0	0	110.2
27	R	26.2	Very low	29.3	Very low	228 Å²	228	148 Å²	148	86%	0.86	74%	0.738	S	S	*	*			trans	39.3	110.2	151.5	-69	177.8	166.8	175.2	-3.2	118.9
28	T	30.6	Very low	29.2	Very low	148 Å²	148	151.5 Å²	151.5	91%	0.908	75%	0.747	S	S	*	*				-133.2	151.4	121.4	47.9	0	0	0	0	109.7
29	K	27.7	Very low	28.8	Very low	188 Å²	188	157.3 Å²	157.3	82%	0.817	76%	0.76	S	S	*	*			trans	-105.6	166.1	-178.9	-78	-176.5	173.7	-179.6	0	110.7
30	N	26.1	Very low	28.4	Very low	158 Å²	158	158.6 Å²	158.6	85%	0.845	78%	0.775	S	S	*	*			trans	80.4	89.1	162.1	-57.2	-10.7	0	0	0	117.6
31	S	31.1	Very low	27.6	Very low	117 Å²	117	161.3 Å²	161.3	82%	0.818	79%	0.79	S	S	*	*			trans	-148.9	134.4	134.4	59	0	0	0	0	110.2	C33	S31-C33 PolarHBondContact O-N 3.06Å
32	S	25.2	Very low	27.1	Very low	136 Å²	136	161.3 Å²	161.3	95%	0.951	79%	0.794	S	S	*	*			trans	-75.8	108.5	-176.4	-66.1	0	0	0	0	110.9
33	C	26.2	Very low	26.8	Very low	121 Å²	121	165.4 Å²	165.4	82%	0.818	81%	0.806	S	S	*	*			trans	-122.4	138.3	169.5	-148.3	0	0	0	0	111.5	S31 R35	S31-C33 PolarHBondContact O-N 3.06Å; C33-R35 PolarHBondContact O-N 3.3Å
34	R	24.5	Very low	26.5	Very low	236 Å²	236	163.4 Å²	163.4	89%	0.891	80%	0.804	S	S	*	*			trans	-67.9	119.7	-166.8	-65.2	174.3	179.3	171.4	-1	111	I36	R34-I36 PolarHBondContact O-N 2.9Å
35	R	23.8	Very low	26.4	Very low	177 Å²	177	160.6 Å²	160.6	67%	0.668	80%	0.8	S	S	*	*			trans	-64.8	99.6	168.8	-85.9	179.2	174.6	166.9	-11.8	110.6	C33 R37 D444	C33-R35 PolarHBondContact O-N 3.3Å; R35-R37 PolarHBondContact O-N 3.42Å; R35-R37 VanDerWaalsContact O-N 3.13Å; R35-D444 IonicContact CZ-OD1 2.72Å; R35-D444 IonicContact CZ-OD2 3.1Å; R35-D444 IonicContact NH1-OD1 3.69Å; R35-D444 PolarHBondContact NH1-OD1 2.9Å; R35-D444 IonicContact NH1-OD2 3.26Å; R35-D444 PolarHBondContact NH1-OD2 2.89Å; R35-D444 IonicContact NH2-OD1 3.82Å; R35-D444 PolarHBondContact NH2-OD1 3.17Å; R35-D444 VanDerWaalsContact NH2-OD1 3.09Å
36	I	24	Very low	26.3	Very low	145 Å²	145	159.3 Å²	159.3	74%	0.744	79%	0.787	S	S	*	*			trans	-75.2	95.5	161.1	-60.5	176	0	0	0	107.1	R34 Y38	R34-I36 PolarHBondContact O-N 2.9Å; I36-Y38 HydrophobicContact CG2-CD2 4.14Å; I36-Y38 HydrophobicContact CG2-CE2 4.18Å; I36-Y38 PolarHBondContact O-N 3.38Å; I36-Y38 VanDerWaalsContact O-N 3.14Å
37	R	22.7	Very low	26.4	Very low	179 Å²	179	157.2 Å²	157.2	68%	0.675	79%	0.786	S	S	*	*			trans	-71.4	101.1	170	-75.2	-176.4	-178.9	152.8	-4.4	108.7	R35 R39 D444	R35-R37 PolarHBondContact O-N 3.42Å; R35-R37 VanDerWaalsContact O-N 3.13Å; R37-R39 PolarHBondContact O-N 3.05Å; R37-D444 IonicContact CZ-OD2 3.68Å; R37-D444 IonicContact NE-OD2 3.87Å; R37-D444 IonicContact NH2-OD2 2.99Å; R37-D444 PolarHBondContact NH2-OD2 3.09Å
38	Y	25.4	Very low	26.9	Very low	218 Å²	218	147.4 Å²	147.4	86%	0.855	75%	0.751	S	S	*	*			trans	-63.9	100.8	161.9	-93.9	-93.5	0	0	0	109.1	I36 S40	I36-Y38 HydrophobicContact CG2-CD2 4.14Å; I36-Y38 HydrophobicContact CG2-CE2 4.18Å; I36-Y38 PolarHBondContact O-N 3.38Å; I36-Y38 VanDerWaalsContact O-N 3.14Å; Y38-S40 PolarHBondContact O-N 2.86Å
39	R	24	Very low	27.1	Very low	206 Å²	206	146 Å²	146	78%	0.777	74%	0.735	S	S	*	*			trans	-81.1	102.4	166.1	-92.9	-175.9	163.2	176.8	-3.8	108.4	R37 N41	R37-R39 PolarHBondContact O-N 3.05Å; R39-N41 PolarHBondContact O-N 3.49Å
40	S	26.7	Very low	27.5	Very low	113 Å²	113	142 Å²	142	79%	0.79	72%	0.719	S	S	*	*			trans	-73.1	63.8	172.7	57.6	0	0	0	0	112	Y38	Y38-S40 PolarHBondContact O-N 2.86Å
41	N	23.4	Very low	27.7	Very low	118 Å²	118	137.3 Å²	137.3	63%	0.631	70%	0.699	S	S	*	*			trans	-125.9	77	177.4	-81.7	10.7	0	0	0	110.7	R39	R39-N41 PolarHBondContact O-N 3.49Å
42	S	27.3	Very low	28	Very low	86 Å²	86	134.1 Å²	134.1	60%	0.601	67%	0.671	S	S	*	*			trans	-142.4	86.5	164.8	50.4	0	0	0	0	110.8	N44 A45	S42-N44 PolarHBondContact O-N 3.03Å; S42-A45 PolarHBondContact O-N 3.42Å
43	F	27.9	Very low	28.7	Very low	216 Å²	216	130.7 Å²	130.7	95%	0.947	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	22.4	176.8	-137.4	-93.5	0	0	0	113.8
44	N	26.3	Very low	29.4	Very low	156 Å²	156	128.5 Å²	128.5	83%	0.834	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.4	15.9	-168.5	-89	-26.3	0	0	0	113.1	S42 F46	S42-N44 PolarHBondContact O-N 3.03Å; N44-F46 VanDerWaalsContact C-N 3.33Å; N44-F46 PolarHBondContact O-N 3.2Å
45	A	26	Very low	30.3	Very low	75 Å²	75	119.5 Å²	119.5	62%	0.62	60%	0.595	S	S	*	*	S	Bend	trans	-78.2	79	-179.2	0	0	0	0	0	112.3	S42	S42-A45 PolarHBondContact O-N 3.42Å
46	F	28.8	Very low	31.4	Very low	152 Å²	152	112.7 Å²	112.7	67%	0.667	58%	0.58	S	S	*	*			trans	45.1	74.7	162.4	-75.1	-84.4	0	0	0	117.2	N44 C48 R677	N44-F46 VanDerWaalsContact C-N 3.33Å; N44-F46 PolarHBondContact O-N 3.2Å; F46-C48 PolarHBondContact O-N 2.99Å; F46-R677 HydrophobicContact CE1-CG 4.41Å
47	V	30.2	Very low	32.6	Very low	129 Å²	129	106.3 Å²	106.3	78%	0.782	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-54.5	117	147.2	172.6	0	0	0	0	108.1	Q49	V47-Q49 PolarHBondContact O-N 3.15Å
48	C	36.6	Very low	33.8	Very low	21 Å²	21	100.6 Å²	100.6	14%	0.142	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-58.4	129.4	157.6	-158	0	0	0	0	105.8	F46 Q50 E52 Q53 R678	F46-C48 PolarHBondContact O-N 2.99Å; C48-Q50 PolarHBondContact O-N 3.13Å; C48-E52 PolarHBondContact SG-OE2 3.24Å; C48-Q53 HydrophobicContact CB-CG 4Å; C48-R678 PolarHBondContact SG-NH2 2.86Å; C48-R678 VanDerWaalsContact SG-NH2 3.45Å
49	Q	36.2	Very low	34.9	Very low	119 Å²	119	94.7 Å²	94.7	56%	0.556	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-61.4	136	-176.3	-65	-167.8	-25.8	0	0	108.4	V47 S51 E52 Q53	V47-Q49 PolarHBondContact O-N 3.15Å; Q49-S51 PolarHBondContact O-N 2.99Å; Q49-E52 HydrophobicContact CB-CG 3.98Å; Q49-E52 PolarHBondContact N-OE2 3.22Å; Q49-E52 WeakPolarHBondContact O-CA 3.48Å; Q49-E52 VanDerWaalsContact O-CB 3.25Å; Q49-E52 WeakPolarHBondContact O-CB 3.26Å; Q49-E52 PolarHBondContact O-N 3Å; Q49-Q53 PolarHBondContact O-N 3.14Å
50	Q	34.9	Very low	36.1	Very low	105 Å²	105	86.6 Å²	86.6	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-54	-30.7	-173.3	-163.6	174.8	6.3	0	0	111.9	C48 E52 M54 D229	C48-Q50 PolarHBondContact O-N 3.13Å; Q50-E52 VanDerWaalsContact C-N 3.32Å; Q50-E52 PolarHBondContact O-N 3.26Å; Q50-M54 WeakPolarHBondContact O-CB 3.28Å; Q50-M54 PolarHBondContact O-N 3.4Å; Q50-D229 PolarHBondContact NE2-OD2 3.17Å
51	S	31.6	Very low	37.2	Very low	59 Å²	59	83 Å²	83	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-30.1	171.6	51.1	0	0	0	0	115.7	Q49 A55	Q49-S51 PolarHBondContact O-N 2.99Å; S51-A55 VanDerWaalsContact O-CB 3.32Å; S51-A55 WeakPolarHBondContact O-CB 3.36Å; S51-A55 PolarHBondContact O-N 3.3Å
52	E	35.6	Very low	38.1	Very low	50 Å²	50	84.6 Å²	84.6	23%	0.234	45%	0.45	C	S	.	.	H	α-helix	trans	-80.9	-42.7	-177.6	-58.7	169	168.6	0	0	110.9	C48 Q49 Q50 G56 L674	C48-E52 PolarHBondContact SG-OE2 3.24Å; Q49-E52 HydrophobicContact CB-CG 3.98Å; Q49-E52 PolarHBondContact N-OE2 3.22Å; Q49-E52 WeakPolarHBondContact O-CA 3.48Å; Q49-E52 VanDerWaalsContact O-CB 3.25Å; Q49-E52 WeakPolarHBondContact O-CB 3.26Å; Q49-E52 PolarHBondContact O-N 3Å; Q50-E52 VanDerWaalsContact C-N 3.32Å; Q50-E52 PolarHBondContact O-N 3.26Å; E52-G56 PolarHBondContact O-N 3.5Å; E52-G56 VanDerWaalsContact O-N 3.13Å; E52-L674 HydrophobicContact CB-CD2 3.73Å; E52-L674 VanDerWaalsContact CD-CG 3.49Å; E52-L674 HydrophobicContact CG-CD1 4.05Å; E52-L674 HydrophobicContact CG-CD2 3.64Å; E52-L674 HydrophobicContact CG-CG 4.07Å; E52-L674 VanDerWaalsContact OE1-CD1 3.26Å; E52-L674 WeakPolarHBondContact OE1-CD1 3.48Å; E52-L674 WeakPolarHBondContact OE1-CG 3.41Å
53	Q	41.5	Very low	38.9	Very low	64 Å²	64	84.4 Å²	84.4	30%	0.299	44%	0.442	S	S	.	.	H	α-helix	trans	-63.2	-47.2	170.2	-67.9	176.8	-61.9	0	0	109.8	C48 Q49 A55 G56 T57	C48-Q53 HydrophobicContact CB-CG 4Å; Q49-Q53 PolarHBondContact O-N 3.14Å; Q53-A55 PolarHBondContact O-N 3.05Å; Q53-G56 PolarHBondContact O-N 2.95Å; Q53-T57 WeakPolarHBondContact O-CB 3.24Å; Q53-T57 PolarHBondContact O-N 2.75Å; Q53-T57 PolarHBondContact O-OG1 2.94Å
54	M	41.1	Very low	39.8	Very low	74 Å²	74	75.4 Å²	75.4	37%	0.365	40%	0.402	S	S	.	.	H	α-helix	trans	-54.2	-49.3	174.1	-179	171.4	77.9	0	0	112.6	Q50 G56 T57 I58 F230	Q50-M54 WeakPolarHBondContact O-CB 3.28Å; Q50-M54 PolarHBondContact O-N 3.4Å; M54-G56 PolarHBondContact O-N 3.27Å; M54-T57 PolarHBondContact O-N 2.89Å; M54-I58 HydrophobicContact CG-CD1 3.51Å; M54-I58 HydrophobicContact CG-CG1 4.3Å; M54-I58 VanDerWaalsContact O-CB 3.31Å; M54-I58 WeakPolarHBondContact O-CB 3.46Å; M54-I58 WeakPolarHBondContact O-CG1 3.43Å; M54-I58 PolarHBondContact O-N 2.65Å; M54-I58 HydrophobicContact SD-CD1 4.4Å; M54-F230 HydrophobicContact CB-CB 4.44Å; M54-F230 HydrophobicContact CB-CD1 3.67Å; M54-F230 HydrophobicContact CB-CD2 4.13Å; M54-F230 HydrophobicContact CB-CE1 3.91Å; M54-F230 HydrophobicContact CB-CE2 4.37Å; M54-F230 HydrophobicContact CB-CG 3.79Å; M54-F230 HydrophobicContact CB-CZ 4.26Å; M54-F230 HydrophobicContact CG-CB 3.73Å; M54-F230 HydrophobicContact CG-CD1 3.92Å; M54-F230 HydrophobicContact CG-CD2 3.81Å; M54-F230 HydrophobicContact CG-CE2 4.47Å; M54-F230 HydrophobicContact CG-CG 3.51Å; M54-F230 HydrophobicContact SD-CB 3.58Å; M54-F230 VanDerWaalsContact SD-CB 3.58Å; M54-F230 HydrophobicContact SD-CD1 4.37Å; M54-F230 HydrophobicContact SD-CG 3.99Å
55	A	42.7	Very low	40.7	Very low	48 Å²	48	73.5 Å²	73.5	40%	0.397	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-46.1	179.5	0	0	0	0	0	112.5	S51 Q53 Q59	S51-A55 VanDerWaalsContact O-CB 3.32Å; S51-A55 WeakPolarHBondContact O-CB 3.36Å; S51-A55 PolarHBondContact O-N 3.3Å; Q53-A55 PolarHBondContact O-N 3.05Å; A55-Q59 WeakPolarHBondContact O-CB 3.42Å; A55-Q59 PolarHBondContact O-N 3.26Å
56	G	45.7	Very low	41.3	Very low	34 Å²	34	76.1 Å²	76.1	35%	0.351	39%	0.391	S	S	.	.	H	α-helix	trans	-61.4	-47.8	177	0	0	0	0	0	112.4	E52 Q53 M54 Q59 L60	E52-G56 PolarHBondContact O-N 3.5Å; E52-G56 VanDerWaalsContact O-N 3.13Å; Q53-G56 PolarHBondContact O-N 2.95Å; M54-G56 PolarHBondContact O-N 3.27Å; G56-Q59 PolarHBondContact O-N 3.19Å; G56-L60 WeakPolarHBondContact O-CG 3.44Å; G56-L60 PolarHBondContact O-N 3.34Å
57	T	49.8	Very low	42	Very low	10 Å²	10	75.5 Å²	75.5	6%	0.061	39%	0.388	C	S	.	.	H	α-helix	trans	-69.1	-37.7	-178.4	-51.9	0	0	0	0	112.8	Q53 M54 L60 F61 F230 L231 L234	Q53-T57 WeakPolarHBondContact O-CB 3.24Å; Q53-T57 PolarHBondContact O-N 2.75Å; Q53-T57 PolarHBondContact O-OG1 2.94Å; M54-T57 PolarHBondContact O-N 2.89Å; T57-L60 PolarHBondContact O-N 3.49Å; T57-F61 PolarHBondContact O-N 2.84Å; T57-F230 HydrophobicContact CG2-CE2 3.81Å; T57-F230 HydrophobicContact CG2-CZ 4.35Å; T57-L231 HydrophobicContact CG2-CD2 3.93Å; T57-L234 HydrophobicContact CG2-CD2 3.71Å
58	I	48.3	Very low	42.3	Very low	59 Å²	59	76.1 Å²	76.1	30%	0.303	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-42.1	173.1	-70.8	172.2	0	0	0	110.7	M54 L60 F61 Y62	M54-I58 HydrophobicContact CG-CD1 3.51Å; M54-I58 HydrophobicContact CG-CG1 4.3Å; M54-I58 VanDerWaalsContact O-CB 3.31Å; M54-I58 WeakPolarHBondContact O-CB 3.46Å; M54-I58 WeakPolarHBondContact O-CG1 3.43Å; M54-I58 PolarHBondContact O-N 2.65Å; M54-I58 HydrophobicContact SD-CD1 4.4Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-L60 PolarHBondContact O-N 3.11Å; I58-F61 WeakPolarHBondContact O-CB 3.46Å; I58-F61 PolarHBondContact O-N 3.31Å; I58-Y62 HydrophobicContact CG2-CD2 3.79Å; I58-Y62 HydrophobicContact CG2-CE2 3.56Å; I58-Y62 VanDerWaalsContact O-CD2 3.3Å; I58-Y62 WeakPolarHBondContact O-CD2 3.35Å; I58-Y62 PolarHBondContact O-N 2.9Å
59	Q	47.7	Very low	42.1	Very low	94 Å²	94	79.5 Å²	79.5	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-39.6	177.5	-169.7	170.5	9	0	0	111.6	A55 G56 L63	A55-Q59 WeakPolarHBondContact O-CB 3.42Å; A55-Q59 PolarHBondContact O-N 3.26Å; G56-Q59 PolarHBondContact O-N 3.19Å; Q59-L63 HydrophobicContact CG-CD1 4.49Å; Q59-L63 WeakPolarHBondContact O-CD1 3.3Å; Q59-L63 VanDerWaalsContact O-CG 3.29Å; Q59-L63 WeakPolarHBondContact O-CG 3.47Å; Q59-L63 PolarHBondContact O-N 2.98Å
60	L	50.5	Low	41.8	Very low	36 Å²	36	82.6 Å²	82.6	19%	0.188	42%	0.423	C	S	.	.	H	α-helix	trans	-62.7	-44.2	171.5	-67.5	174.3	0	0	0	111.6	G56 T57 I58 Y62 L63 Y64 F248 C251	G56-L60 WeakPolarHBondContact O-CG 3.44Å; G56-L60 PolarHBondContact O-N 3.34Å; T57-L60 PolarHBondContact O-N 3.49Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-L60 PolarHBondContact O-N 3.11Å; L60-Y62 PolarHBondContact O-N 2.81Å; L60-L63 PolarHBondContact O-N 2.98Å; L60-Y64 VanDerWaalsContact O-CD2 3.31Å; L60-Y64 WeakPolarHBondContact O-CD2 3.36Å; L60-Y64 PolarHBondContact O-N 3.1Å; L60-F248 HydrophobicContact CD1-CD2 4.35Å; L60-C251 HydrophobicContact CD1-CB 4.4Å; L60-C251 HydrophobicContact CD2-CB 4.19Å
61	F	48.3	Very low	41.5	Very low	37 Å²	37	85.1 Å²	85.1	16%	0.162	44%	0.44	C	S	.	.	H	α-helix	trans	-55.1	-52	178.6	177.6	-90.2	0	0	0	112.6	T57 I58 L63 Y64 E65 L234 Y235	T57-F61 PolarHBondContact O-N 2.84Å; I58-F61 WeakPolarHBondContact O-CB 3.46Å; I58-F61 PolarHBondContact O-N 3.31Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.08Å; F61-Y64 PolarHBondContact O-N 3.28Å; F61-E65 HydrophobicContact CD1-CG 4.32Å; F61-E65 VanDerWaalsContact CE1-CD 3.46Å; F61-E65 HydrophobicContact CE1-CG 3.73Å; F61-E65 WeakPolarHBondContact CE1-OE2 3.47Å; F61-E65 HydrophobicContact CE2-CG 4.35Å; F61-E65 HydrophobicContact CZ-CG 3.75Å; F61-E65 WeakPolarHBondContact CZ-OE1 3.37Å; F61-E65 PolarHBondContact O-N 2.86Å; F61-E65 VanDerWaalsContact O-N 3.09Å; F61-L234 HydrophobicContact CB-CD1 3.66Å; F61-L234 HydrophobicContact CB-CD2 4.2Å; F61-L234 HydrophobicContact CB-CG 4.25Å; F61-L234 HydrophobicContact CD1-CD1 3.85Å; F61-L234 HydrophobicContact CD2-CD1 3.55Å; F61-L234 HydrophobicContact CD2-CD2 4.29Å; F61-L234 HydrophobicContact CD2-CG 3.68Å; F61-L234 HydrophobicContact CE1-CD1 4.39Å; F61-L234 HydrophobicContact CE2-CD1 4.12Å; F61-L234 HydrophobicContact CE2-CG 4.24Å; F61-L234 HydrophobicContact CG-CD1 3.4Å; F61-L234 VanDerWaalsContact CG-CD1 3.4Å; F61-L234 HydrophobicContact CG-CD2 4.49Å; F61-L234 HydrophobicContact CG-CG 4.03Å; F61-Y235 HydrophobicContact CD2-CE1 4.43Å
62	Y	44.2	Very low	41.3	Very low	153 Å²	153	90.2 Å²	90.2	60%	0.6	46%	0.459	S	S	*	.	H	α-helix	trans	-64.2	-35.1	-179.3	-74.3	-63.8	0	0	0	113.1	I58 L60 Y64 E65 D66	I58-Y62 HydrophobicContact CG2-CD2 3.79Å; I58-Y62 HydrophobicContact CG2-CE2 3.56Å; I58-Y62 VanDerWaalsContact O-CD2 3.3Å; I58-Y62 WeakPolarHBondContact O-CD2 3.35Å; I58-Y62 PolarHBondContact O-N 2.9Å; L60-Y62 PolarHBondContact O-N 2.81Å; Y62-Y64 PolarHBondContact O-N 3.36Å; Y62-Y64 VanDerWaalsContact O-N 3.14Å; Y62-E65 PolarHBondContact O-N 3.11Å; Y62-D66 PolarHBondContact O-N 2.88Å
63	L	43.5	Very low	40.8	Very low	81 Å²	81	97 Å²	97	42%	0.424	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-17.9	173.8	-74.6	168.8	0	0	0	113.9	Q59 L60 F61 K67	Q59-L63 HydrophobicContact CG-CD1 4.49Å; Q59-L63 WeakPolarHBondContact O-CD1 3.3Å; Q59-L63 VanDerWaalsContact O-CG 3.29Å; Q59-L63 WeakPolarHBondContact O-CG 3.47Å; Q59-L63 PolarHBondContact O-N 2.98Å; L60-L63 PolarHBondContact O-N 2.98Å; F61-L63 VanDerWaalsContact C-N 3.33Å; F61-L63 PolarHBondContact O-N 3.08Å; L63-K67 WeakPolarHBondContact O-CD 3.4Å; L63-K67 WeakPolarHBondContact O-CG 3.46Å
64	Y	45.8	Very low	40.1	Very low	27 Å²	27	101.1 Å²	101.1	11%	0.106	51%	0.508	C	S	.	.	H	α-helix	trans	-111.6	-14.4	-179.2	-80.6	-93.2	0	0	0	115.1	L60 F61 Y62 L250 C251 Q254	L60-Y64 VanDerWaalsContact O-CD2 3.31Å; L60-Y64 WeakPolarHBondContact O-CD2 3.36Å; L60-Y64 PolarHBondContact O-N 3.1Å; F61-Y64 PolarHBondContact O-N 3.28Å; Y62-Y64 PolarHBondContact O-N 3.36Å; Y62-Y64 VanDerWaalsContact O-N 3.14Å; Y64-L250 HydrophobicContact CE1-CB 4.15Å; Y64-L250 HydrophobicContact CE1-CD1 4.39Å; Y64-L250 PolarHBondContact OH-O 3.41Å; Y64-C251 WeakPolarHBondContact CE2-SG 3.47Å; Y64-C251 WeakPolarHBondContact OH-CA 3.31Å; Y64-C251 PolarHBondContact OH-N 2.88Å; Y64-Q254 VanDerWaalsContact OH-CD 3.26Å; Y64-Q254 PolarHBondContact OH-OE1 2.75Å
65	E	45.4	Very low	39.6	Very low	117 Å²	117	105.9 Å²	105.9	55%	0.547	53%	0.534	S	S	.	.	H	α-helix	trans	-76.6	-44.3	164.9	-72.4	-147.5	135	0	0	111.1	F61 Y62 K67 N68	F61-E65 HydrophobicContact CD1-CG 4.32Å; F61-E65 VanDerWaalsContact CE1-CD 3.46Å; F61-E65 HydrophobicContact CE1-CG 3.73Å; F61-E65 WeakPolarHBondContact CE1-OE2 3.47Å; F61-E65 HydrophobicContact CE2-CG 4.35Å; F61-E65 HydrophobicContact CZ-CG 3.75Å; F61-E65 WeakPolarHBondContact CZ-OE1 3.37Å; F61-E65 PolarHBondContact O-N 2.86Å; F61-E65 VanDerWaalsContact O-N 3.09Å; Y62-E65 PolarHBondContact O-N 3.11Å; E65-K67 VanDerWaalsContact C-N 3.29Å; E65-K67 PolarHBondContact O-N 3.42Å; E65-N68 PolarHBondContact O-N 3.23Å
66	D	39.9	Very low	39	Very low	130 Å²	130	110.4 Å²	110.4	70%	0.695	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-68.2	-28	-173.2	-155.4	22.2	0	0	0	112.9	Y62 N68 S69	Y62-D66 PolarHBondContact O-N 2.88Å; D66-N68 PolarHBondContact O-N 3.47Å; D66-S69 WeakPolarHBondContact O-CB 3.45Å; D66-S69 PolarHBondContact O-N 3.02Å
67	K	42.3	Very low	38	Very low	139 Å²	139	118.6 Å²	118.6	60%	0.604	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-73	-1	177.3	-73.1	-177.3	-178.1	174.8	0	115.3	L63 E65 S69	L63-K67 WeakPolarHBondContact O-CD 3.4Å; L63-K67 WeakPolarHBondContact O-CG 3.46Å; E65-K67 VanDerWaalsContact C-N 3.29Å; E65-K67 PolarHBondContact O-N 3.42Å; K67-S69 VanDerWaalsContact C-N 3.27Å
68	N	38	Very low	37	Very low	141 Å²	141	122.4 Å²	122.4	75%	0.754	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-81.4	-6.8	165.7	-78.6	-29.8	0	0	0	112.8	E65 D66	E65-N68 PolarHBondContact O-N 3.23Å; D66-N68 PolarHBondContact O-N 3.47Å
69	S	32.3	Very low	36.2	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	63%	0.633	S	S	*	*	S	Bend	trans	-82.8	131.6	168.9	-163.4	0	0	0	0	111.2	D66 K67	D66-S69 WeakPolarHBondContact O-CB 3.45Å; D66-S69 PolarHBondContact O-N 3.02Å; K67-S69 VanDerWaalsContact C-N 3.27Å
70	K	29.8	Very low	35.3	Very low	183 Å²	183	131.9 Å²	131.9	80%	0.796	65%	0.645	S	S	*	*			trans	-73.2	153.9	-179	-67.3	172.5	178.7	173.2	0	111.3
71	N	26.9	Very low	34.3	Very low	159 Å²	159	139.3 Å²	139.3	85%	0.85	67%	0.67	S	S	*	*			trans	95.9	95.5	166.4	-49.8	-33.3	0	0	0	117
72	M	27.6	Very low	33.3	Very low	166 Å²	166	146.7 Å²	146.7	82%	0.818	70%	0.702	S	S	*	*				-155	89.8	127.8	-163.9	137.7	64.3	0	0	111.2
73	Y	26.5	Very low	32.6	Very low	193 Å²	193	149.9 Å²	149.9	76%	0.757	72%	0.719	S	S	*	*			trans	-98.1	157.5	162.6	-87.7	-85.7	0	0	0	109.8
74	N	26.5	Very low	31.8	Very low	149 Å²	149	150.3 Å²	150.3	80%	0.797	73%	0.729	S	S	*	*			trans	80.4	105.7	173.2	-52.7	-30.6	0	0	0	117.2
75	L	29.8	Very low	30.9	Very low	174 Å²	174	157.1 Å²	157.1	91%	0.911	76%	0.761	S	S	*	*			trans	-155.6	83.7	134.7	-110.6	153	0	0	0	111.7
76	D	30	Very low	29.9	Very low	144 Å²	144	157.7 Å²	157.7	77%	0.77	77%	0.773	S	S	*	*			trans	53.5	131.7	139.5	-141.9	-11.8	0	0	0	122.6
77	K	26.2	Very low	29.3	Very low	205 Å²	205	158 Å²	158	89%	0.891	78%	0.78	S	S	*	*			trans	-104.7	100.8	173.5	-75.2	178.6	177	174.1	0	110.1
78	S	28.5	Very low	28.4	Very low	91 Å²	91	158.3 Å²	158.3	64%	0.636	78%	0.783	S	S	*	*			trans	-157.6	110.1	155.7	57.7	0	0	0	0	115.3
79	K	31.9	Very low	27.8	Very low	208 Å²	208	161.4 Å²	161.4	90%	0.904	78%	0.784	S	S	*	*				173.3	131.4	114.7	-92.7	162.1	-175	173.2	0	112.3
80	E	28.8	Very low	27.6	Very low	144 Å²	144	164.5 Å²	164.5	67%	0.673	79%	0.792	S	S	*	*			trans	-87.9	144.9	-179.2	-89.4	-156.8	138.3	0	0	114
81	R	27.5	Very low	27.5	Very low	192 Å²	192	162.5 Å²	162.5	73%	0.725	80%	0.795	S	S	*	*			trans	79.6	145	130.9	-78.6	177.2	172.8	148	-6.3	123.6
82	K	27.5	Very low	27.5	Very low	192 Å²	192	162 Å²	162	84%	0.835	79%	0.793	S	S	*	*			trans	82.3	106	153.2	-73.8	165.1	-178	-179.3	0	119.1
83	K	29.9	Very low	27.5	Very low	219 Å²	219	163.1 Å²	163.1	95%	0.952	80%	0.796	S	S	*	*				-156.5	162.7	99.7	-104.5	171.1	-177.1	-179.4	0	112.1
84	S	26.8	Very low	27.5	Very low	90 Å²	90	161.8 Å²	161.8	63%	0.629	80%	0.8	S	S	*	*			trans	-113.4	163.1	-163	-168.2	0	0	0	0	112.3
85	Q	27	Very low	27.5	Very low	170 Å²	170	164.3 Å²	164.3	79%	0.794	80%	0.804	S	S	*	*			trans	41.3	124.3	154.5	-69.8	148.7	-36.3	0	0	117.1
86	T	25.4	Very low	27.4	Very low	129 Å²	129	162.7 Å²	162.7	79%	0.791	80%	0.795	S	S	*	*				-178.6	149.1	70.7	-56.1	0	0	0	0	108
87	V	27	Very low	27.1	Very low	138 Å²	138	160.4 Å²	160.4	84%	0.836	79%	0.791	S	S	*	*			trans	170.3	111	135.4	157.2	0	0	0	0	106.8
88	E	23.7	Very low	27.2	Very low	145 Å²	145	160.3 Å²	160.3	68%	0.678	79%	0.791	S	S	*	*			trans	-102.1	149.5	170.2	-161	-170.4	-108.9	0	0	107.5
89	R	25.4	Very low	27.1	Very low	206 Å²	206	161.4 Å²	161.4	78%	0.777	79%	0.788	S	S	*	*			trans	75.3	118.2	171.2	-47.1	174.6	-166.8	-161.1	-2.7	117.2
90	I	26.7	Very low	26.9	Very low	157 Å²	157	158.6 Å²	158.6	81%	0.805	78%	0.783	S	S	*	*				168.6	114.9	122.2	-82.8	153.3	0	0	0	106.6
91	T	28.4	Very low	27.1	Very low	142 Å²	142	160.2 Å²	160.2	87%	0.871	78%	0.783	S	S	*	*			trans	-179.4	84.3	146.6	15.6	0	0	0	0	109.2
92	D	25.8	Very low	27.4	Very low	149 Å²	149	155.8 Å²	155.8	80%	0.797	78%	0.779	S	S	*	*			trans	-77.4	151.2	170	-72.5	-56.2	0	0	0	111.8
93	E	27.6	Very low	28.2	Very low	189 Å²	189	150 Å²	150	88%	0.883	76%	0.76	S	S	*	*			trans	54.5	70.2	147.7	-64.1	-173.5	159.7	0	0	120.7
94	I	27.5	Very low	28.6	Very low	165 Å²	165	142.6 Å²	142.6	85%	0.846	75%	0.745	S	S	*	*			trans	-127.8	108.5	144.2	-58	-176.6	0	0	0	111.9	L96	I94-L96 PolarHBondContact O-N 3.15Å
95	K	25.7	Very low	29.9	Very low	201 Å²	201	143.4 Å²	143.4	87%	0.874	74%	0.739	S	S	*	*			trans	-30.3	103.1	171.1	-63.7	164.2	177.9	169.9	0	115.9
96	L	28.2	Very low	31.5	Very low	140 Å²	140	140.6 Å²	140.6	73%	0.733	73%	0.733	S	S	*	*			trans	-141.1	82.8	151.7	-84.1	179.9	0	0	0	110.5	I94	I94-L96 PolarHBondContact O-N 3.15Å
97	S	24.7	Very low	34.1	Very low	96 Å²	96	141.9 Å²	141.9	67%	0.671	73%	0.728	S	S	*	*			trans	-63.7	157.1	162.2	42.8	0	0	0	0	111
98	F	27.7	Very low	36.9	Very low	204 Å²	204	135.9 Å²	135.9	90%	0.895	69%	0.691	S	S	*	*	S	Bend	trans	93	0.7	169.3	-68.3	-82.4	0	0	0	121.9
99	I	25.4	Very low	39.9	Very low	114 Å²	114	130.9 Å²	130.9	59%	0.585	67%	0.667	S	S	*	*			trans	-138.2	115	173.5	-44.7	177.9	0	0	0	112.9	R101	I99-R101 HydrophobicContact CB-CG 3.93Å; I99-R101 HydrophobicContact CG2-CG 3.46Å; I99-R101 VanDerWaalsContact CG2-CG 3.46Å; I99-R101 PolarHBondContact O-N 3.13Å
100	D	29.2	Very low	43	Very low	148 Å²	148	124.3 Å²	124.3	79%	0.791	65%	0.647	S	S	*	*			trans	-79.1	102.4	164.3	-147.8	-14.1	0	0	0	108.7	P102	D100-P102 VanDerWaalsContact C-CD 3.5Å
101	R	32.8	Very low	46.1	Very low	179 Å²	179	117 Å²	117	68%	0.675	61%	0.609	S	S	*	*			trans	-89.2	-5.6	-160.9	-82.2	-171.6	176.8	-178.1	0.5	119.9	I99	I99-R101 HydrophobicContact CB-CG 3.93Å; I99-R101 HydrophobicContact CG2-CG 3.46Å; I99-R101 VanDerWaalsContact CG2-CG 3.46Å; I99-R101 PolarHBondContact O-N 3.13Å
102	P	33.8	Very low	49.3	Very low	98 Å²	98	111.3 Å²	111.3	64%	0.636	58%	0.576	S	S	*	*	S	Bend	trans	-69.1	-33.1	-173.9	-25.1	35.5	0	0	0	117.2	D100	D100-P102 VanDerWaalsContact C-CD 3.5Å
103	V	43.2	Very low	52.6	Low	71 Å²	71	106.8 Å²	106.8	43%	0.43	55%	0.551	S	S	.	*			trans	-153.6	-29.6	-176.5	-111.9	0	0	0	0	117.5	H105 Y151 F152	V103-H105 WeakPolarHBondContact CB-NE2 3.36Å; V103-H105 WeakPolarHBondContact CG1-NE2 3.44Å; V103-H105 PolarHBondContact O-CE1 2.83Å; V103-H105 PolarHBondContact O-N 2.91Å; V103-H105 VanDerWaalsContact O-N 3.14Å; V103-H105 PolarHBondContact O-ND1 3.28Å; V103-Y151 HydrophobicContact CG1-CE1 4.23Å; V103-F152 HydrophobicContact CG1-CE1 3.92Å; V103-F152 HydrophobicContact CG1-CZ 4.25Å
104	G	39.2	Very low	55.9	Low	63 Å²	63	98 Å²	98	65%	0.649	51%	0.51	S	S	*	.			trans	55.1	34.8	164.7	0	0	0	0	0	117.8	V106	G104-V106 PolarHBondContact O-N 2.78Å
105	H	54.1	Low	59.1	Low	107 Å²	107	92.5 Å²	92.5	50%	0.495	48%	0.483	S	S	.	.			trans	-73.2	91.8	-178.2	-60.7	-39.5	0	0	0	113.1	V103 K107 Y151	V103-H105 WeakPolarHBondContact CB-NE2 3.36Å; V103-H105 WeakPolarHBondContact CG1-NE2 3.44Å; V103-H105 PolarHBondContact O-CE1 2.83Å; V103-H105 PolarHBondContact O-N 2.91Å; V103-H105 VanDerWaalsContact O-N 3.14Å; V103-H105 PolarHBondContact O-ND1 3.28Å; H105-K107 PolarHBondContact O-N 3.26Å; H105-K107 VanDerWaalsContact O-N 3.15Å; H105-Y151 AromaticContact CE1-CE1 3.45Å; H105-Y151 VanDerWaalsContact CE1-CE1 3.45Å; H105-Y151 WeakPolarHBondContact CE1-CE1 3.48Å; H105-Y151 AromaticContact CE1-CZ 3.57Å; H105-Y151 PolarHBondContact CE1-OH 2.88Å; H105-Y151 PolarHBondContact ND1-OH 2.65Å; H105-Y151 AromaticContact NE2-CE1 3.21Å; H105-Y151 WeakPolarHBondContact NE2-CE1 3.31Å; H105-Y151 AromaticContact NE2-CZ 3.34Å; H105-Y151 VanDerWaalsContact NE2-CZ 3.34Å; H105-Y151 PolarHBondContact NE2-OH 3.21Å
106	V	60.8	Low	62.3	Low	111 Å²	111	83.4 Å²	83.4	67%	0.673	44%	0.443	S	S	*	.			trans	-68.4	105.4	161.1	-178	0	0	0	0	107.8	G104 I108	G104-V106 PolarHBondContact O-N 2.78Å; V106-I108 PolarHBondContact O-N 3.33Å; V106-I108 VanDerWaalsContact O-N 3.14Å
107	K	78.5	Confident	65.4	Low	157 Å²	157	79.9 Å²	79.9	68%	0.683	43%	0.425	S	S	*	.			trans	-61.9	114.9	175.4	-175.1	177.6	-178.1	177.7	0	109.7	H105 K109	H105-K107 PolarHBondContact O-N 3.26Å; H105-K107 VanDerWaalsContact O-N 3.15Å; K107-K109 PolarHBondContact O-N 3Å
108	I	87.4	Confident	68.7	Low	11 Å²	11	75.3 Å²	75.3	6%	0.056	39%	0.393	C	S	.	.			trans	-70.5	107.2	175.6	-56.7	168.8	0	0	0	107.8	V106 L111 F116 L121 D132 I133 Q136	V106-I108 PolarHBondContact O-N 3.33Å; V106-I108 VanDerWaalsContact O-N 3.14Å; I108-L111 HydrophobicContact CG2-CB 4.4Å; I108-L111 HydrophobicContact CG2-CD1 4.26Å; I108-F116 HydrophobicContact CG2-CE2 3.45Å; I108-F116 VanDerWaalsContact CG2-CE2 3.45Å; I108-F116 HydrophobicContact CG2-CZ 3.44Å; I108-F116 VanDerWaalsContact CG2-CZ 3.44Å; I108-L121 HydrophobicContact CD1-CD1 4.03Å; I108-L121 HydrophobicContact CD1-CD2 3.83Å; I108-L121 HydrophobicContact CG1-CD1 4.03Å; I108-L121 HydrophobicContact CG2-CD1 4.33Å; I108-D132 HydrophobicContact CD1-CB 3.99Å; I108-I133 HydrophobicContact CD1-CG1 3.83Å; I108-Q136 PolarHBondContact O-NE2 2.98Å
109	K	86.9	Confident	71.9	Confident	41 Å²	41	66 Å²	66	18%	0.178	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	147.7	175.3	-69.6	-157.5	-168.5	-178.3	0	111.3	E17 V18 K107 L111	E17-K109 VanDerWaalsContact CD-CE 3.46Å; E17-K109 IonicContact OE1-NZ 2.67Å; E17-K109 PolarHBondContact OE1-NZ 3.44Å; E17-K109 IonicContact OE2-NZ 3.75Å; E17-K109 PolarHBondContact OE2-NZ 3.38Å; V18-K109 WeakPolarHBondContact O-CD 3.03Å; V18-K109 WeakPolarHBondContact O-CE 3.25Å; V18-K109 VanDerWaalsContact O-CG 3.27Å; V18-K109 WeakPolarHBondContact O-CG 3.35Å; K107-K109 PolarHBondContact O-N 3Å; K109-L111 VanDerWaalsContact C-N 3.28Å; K109-L111 PolarHBondContact O-N 2.98Å
110	N	89.5	Confident	75	Confident	68 Å²	68	64.3 Å²	64.3	36%	0.364	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	27.2	172.2	-53.6	-52.5	0	0	0	115.5	T21 S112 N113	T21-N110 VanDerWaalsContact CG2-ND2 3.25Å; T21-N110 WeakPolarHBondContact CG2-ND2 3.4Å; N110-S112 PolarHBondContact O-N 2.94Å; N110-N113 HydrophobicContact CB-CB 4.18Å; N110-N113 VanDerWaalsContact O-CB 3.27Å; N110-N113 WeakPolarHBondContact O-CB 3.38Å; N110-N113 PolarHBondContact O-N 3.3Å
111	L	92.6	Very high	77.9	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.3	-179.8	-170.9	57.7	0	0	0	113.4	I108 K109 N113 F116 I133 Q136 I137 Q182	I108-L111 HydrophobicContact CG2-CB 4.4Å; I108-L111 HydrophobicContact CG2-CD1 4.26Å; K109-L111 VanDerWaalsContact C-N 3.28Å; K109-L111 PolarHBondContact O-N 2.98Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 3.44Å; L111-F116 HydrophobicContact CD1-CD1 4.45Å; L111-F116 HydrophobicContact CD1-CE1 4.21Å; L111-F116 HydrophobicContact CD1-CE2 4.47Å; L111-F116 HydrophobicContact CD1-CZ 4.24Å; L111-I133 HydrophobicContact CD1-CD1 4.1Å; L111-I133 HydrophobicContact CD1-CG1 3.91Å; L111-I133 HydrophobicContact CD1-CG2 4.22Å; L111-I133 HydrophobicContact CD2-CG2 4.34Å; L111-Q136 HydrophobicContact CD2-CB 4.26Å; L111-Q136 HydrophobicContact CD2-CG 4.17Å; L111-I137 HydrophobicContact CD2-CD1 4.21Å; L111-I137 HydrophobicContact CD2-CG1 3.68Å; L111-I137 HydrophobicContact CG-CG1 4.42Å; L111-Q182 HydrophobicContact CD1-CG 3.79Å; L111-Q182 PolarHBondContact O-NE2 3.14Å
112	S	93.9	Very high	80.5	Confident	24 Å²	24	51.7 Å²	51.7	17%	0.168	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10.6	173.8	50.9	0	0	0	0	114.8	N110 H185 C186 S189 R190	N110-S112 PolarHBondContact O-N 2.94Å; S112-H185 WeakPolarHBondContact CA-NE2 3.44Å; S112-H185 VanDerWaalsContact CB-NE2 3.34Å; S112-H185 WeakPolarHBondContact CB-NE2 3.46Å; S112-H185 PolarHBondContact N-NE2 3.22Å; S112-C186 PolarHBondContact O-SG 2.85Å; S112-S189 WeakPolarHBondContact CB-OG 3.36Å; S112-R190 VanDerWaalsContact O-CZ 3.25Å; S112-R190 PolarHBondContact O-NE 3.09Å; S112-R190 PolarHBondContact O-NH2 3.46Å; S112-R190 PolarHBondContact OG-NH2 3.31Å
113	N	95.2	Very high	83.1	Confident	53 Å²	53	55.3 Å²	55.3	28%	0.283	29%	0.286	S	S	.	.			trans	-91.4	133.7	171.8	-173.7	-3.7	0	0	0	110.7	N110 L111 D115 F116 Q182	N110-N113 HydrophobicContact CB-CB 4.18Å; N110-N113 VanDerWaalsContact O-CB 3.27Å; N110-N113 WeakPolarHBondContact O-CB 3.38Å; N110-N113 PolarHBondContact O-N 3.3Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 3.44Å; N113-D115 PolarHBondContact O-N 2.99Å; N113-D115 PolarHBondContact OD1-N 3.13Å; N113-D115 VanDerWaalsContact OD1-N 3.16Å; N113-F116 WeakPolarHBondContact O-CB 3.19Å; N113-F116 PolarHBondContact O-N 3.37Å; N113-F116 VanDerWaalsContact O-N 3.13Å; N113-Q182 PolarHBondContact O-NE2 3.48Å
114	W	96.9	Very high	84.8	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.015	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.5	177.2	-169.3	-105.1	0	0	0	114.3	F116 A183 C186 F187 C330 R331 L400 I404	W114-F116 PolarHBondContact O-N 2.96Å; W114-A183 HydrophobicContact CH2-CB 3.99Å; W114-A183 HydrophobicContact CZ3-CB 3.82Å; W114-C186 HydrophobicContact CE3-CB 3.92Å; W114-C186 HydrophobicContact CZ3-CB 4.25Å; W114-F187 HydrophobicContact CH2-CE1 4.39Å; W114-F187 AromaticContact CH2-CZ 3.92Å; W114-F187 HydrophobicContact CH2-CZ 3.92Å; W114-F187 HydrophobicContact CZ3-CE1 4.11Å; W114-F187 HydrophobicContact CZ3-CE2 4.48Å; W114-F187 AromaticContact CZ3-CZ 3.97Å; W114-F187 HydrophobicContact CZ3-CZ 3.97Å; W114-C330 HydrophobicContact CZ2-CB 4.17Å; W114-C330 PolarHBondContact NE1-O 2.98Å; W114-R331 PolarHBondContact O-NH1 3.02Å; W114-L400 HydrophobicContact CB-CD1 3.65Å; W114-L400 HydrophobicContact CD2-CD1 4.05Å; W114-L400 HydrophobicContact CE3-CD1 3.94Å; W114-L400 HydrophobicContact CG-CD1 3.94Å; W114-I404 HydrophobicContact CD2-CD1 3.84Å; W114-I404 HydrophobicContact CD2-CG1 3.79Å; W114-I404 VanDerWaalsContact CE2-CG1 3.47Å; W114-I404 HydrophobicContact CE3-CD1 3.87Å; W114-I404 HydrophobicContact CE3-CG1 4.34Å; W114-I404 HydrophobicContact CG-CG1 4.18Å; W114-I404 HydrophobicContact CH2-CD1 3.78Å; W114-I404 HydrophobicContact CH2-CG1 4.31Å; W114-I404 HydrophobicContact CZ2-CD1 3.77Å; W114-I404 HydrophobicContact CZ2-CG1 3.77Å; W114-I404 HydrophobicContact CZ3-CD1 3.83Å
115	D	95.3	Very high	86.3	Confident	50 Å²	50	54 Å²	54	27%	0.267	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	11	179.7	-55	-14.8	0	0	0	112.6	N113 N117 I332 K403	N113-D115 PolarHBondContact O-N 2.99Å; N113-D115 PolarHBondContact OD1-N 3.13Å; N113-D115 VanDerWaalsContact OD1-N 3.16Å; D115-N117 PolarHBondContact O-N 2.62Å; D115-I332 HydrophobicContact CB-CG2 4.35Å; D115-K403 WeakPolarHBondContact OD1-CE 3.39Å; D115-K403 IonicContact OD1-NZ 2.92Å; D115-K403 PolarHBondContact OD1-NZ 2.86Å; D115-K403 IonicContact OD2-NZ 2.67Å; D115-K403 PolarHBondContact OD2-NZ 3.44Å
116	F	94	Very high	86.8	Confident	11 Å²	11	53.1 Å²	53.1	5%	0.048	27%	0.272	C	S	.	.			trans	-56.4	127.1	178.8	-176.1	-98.2	0	0	0	111.1	L20 I108 L111 N113 W114 I118 L121 I133 Q182	L20-F116 HydrophobicContact CD1-CE2 4.36Å; I108-F116 HydrophobicContact CG2-CE2 3.45Å; I108-F116 VanDerWaalsContact CG2-CE2 3.45Å; I108-F116 HydrophobicContact CG2-CZ 3.44Å; I108-F116 VanDerWaalsContact CG2-CZ 3.44Å; L111-F116 HydrophobicContact CD1-CD1 4.45Å; L111-F116 HydrophobicContact CD1-CE1 4.21Å; L111-F116 HydrophobicContact CD1-CE2 4.47Å; L111-F116 HydrophobicContact CD1-CZ 4.24Å; N113-F116 WeakPolarHBondContact O-CB 3.19Å; N113-F116 PolarHBondContact O-N 3.37Å; N113-F116 VanDerWaalsContact O-N 3.13Å; W114-F116 PolarHBondContact O-N 2.96Å; F116-I118 HydrophobicContact CD1-CD1 4.49Å; F116-I118 HydrophobicContact CE1-CD1 4.08Å; F116-I118 PolarHBondContact O-N 3.46Å; F116-L121 HydrophobicContact CE1-CB 4.1Å; F116-L121 HydrophobicContact CE1-CD2 3.98Å; F116-L121 HydrophobicContact CZ-CB 3.93Å; F116-L121 HydrophobicContact CZ-CD2 3.87Å; F116-L121 HydrophobicContact CZ-CG 4.34Å; F116-I133 HydrophobicContact CE1-CD1 4.48Å; F116-Q182 HydrophobicContact CD1-CG 4Å; F116-Q182 HydrophobicContact CG-CG 4.44Å
117	N	93.4	Very high	87.3	Confident	65 Å²	65	53.5 Å²	53.5	35%	0.348	27%	0.27	S	S	.	.			trans	-91.7	87.6	-174.7	-169.1	-23.3	0	0	0	110.9	D115 F119 H120 L121 I335	D115-N117 PolarHBondContact O-N 2.62Å; N117-F119 PolarHBondContact O-N 2.94Å; N117-F119 WeakPolarHBondContact OD1-CB 3.47Å; N117-F119 PolarHBondContact OD1-N 3.11Å; N117-H120 HydrophobicContact CB-CB 3.87Å; N117-H120 WeakPolarHBondContact O-CA 3.36Å; N117-H120 WeakPolarHBondContact O-CB 3.35Å; N117-H120 PolarHBondContact O-N 3.23Å; N117-H120 PolarHBondContact OD1-N 2.68Å; N117-L121 PolarHBondContact O-N 3.3Å; N117-L121 VanDerWaalsContact O-N 3.09Å; N117-I335 HydrophobicContact CB-CD1 4.07Å
118	I	93.9	Very high	87.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.2	-35.9	178.7	-160.6	67.3	0	0	0	112.6	F116 H120 L121 K122 T129 I133 L175 A178 D179 W339	F116-I118 HydrophobicContact CD1-CD1 4.49Å; F116-I118 HydrophobicContact CE1-CD1 4.08Å; F116-I118 PolarHBondContact O-N 3.46Å; I118-H120 VanDerWaalsContact C-N 3.32Å; I118-H120 PolarHBondContact O-N 3.19Å; I118-L121 HydrophobicContact CD1-CD2 4.47Å; I118-L121 PolarHBondContact O-N 3.15Å; I118-K122 PolarHBondContact O-N 2.79Å; I118-T129 HydrophobicContact CD1-CG2 4.08Å; I118-I133 HydrophobicContact CD1-CD1 3.47Å; I118-I133 VanDerWaalsContact CD1-CD1 3.47Å; I118-L175 HydrophobicContact CG1-CD1 3.72Å; I118-A178 HydrophobicContact CD1-CB 3.97Å; I118-A178 HydrophobicContact CG1-CB 4.45Å; I118-D179 HydrophobicContact CB-CB 4.47Å; I118-D179 HydrophobicContact CG1-CB 4.18Å; I118-D179 HydrophobicContact CG2-CB 4.25Å; I118-D179 VanDerWaalsContact CG2-OD1 3.22Å; I118-D179 WeakPolarHBondContact CG2-OD1 3.3Å; I118-W339 HydrophobicContact CG2-CZ2 3.89Å
119	F	93.9	Very high	88	Confident	10 Å²	10	50.2 Å²	50.2	4%	0.044	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-27.5	176.1	-59.9	-69.7	0	0	0	113	N117 R123 L175 I335 E338 W339	N117-F119 PolarHBondContact O-N 2.94Å; N117-F119 WeakPolarHBondContact OD1-CB 3.47Å; N117-F119 PolarHBondContact OD1-N 3.11Å; F119-R123 VanDerWaalsContact C-NH1 3.28Å; F119-R123 VanDerWaalsContact O-CG 3.28Å; F119-R123 WeakPolarHBondContact O-CG 3.29Å; F119-R123 PolarHBondContact O-NH1 2.87Å; F119-L175 HydrophobicContact CD1-CD2 3.66Å; F119-L175 HydrophobicContact CE1-CD2 3.69Å; F119-I335 HydrophobicContact CD2-CG2 4.24Å; F119-I335 HydrophobicContact CE2-CG2 3.89Å; F119-E338 HydrophobicContact CD1-CG 4.02Å; F119-E338 HydrophobicContact CD2-CB 4.41Å; F119-E338 HydrophobicContact CD2-CG 3.99Å; F119-E338 HydrophobicContact CE1-CG 3.57Å; F119-E338 HydrophobicContact CE2-CB 3.81Å; F119-E338 HydrophobicContact CE2-CG 3.5Å; F119-E338 VanDerWaalsContact CE2-CG 3.5Å; F119-E338 HydrophobicContact CG-CG 4.23Å; F119-E338 HydrophobicContact CZ-CB 3.98Å; F119-E338 HydrophobicContact CZ-CG 3.27Å; F119-W339 HydrophobicContact CE1-CD2 4.38Å; F119-W339 HydrophobicContact CE1-CH2 4.14Å; F119-W339 HydrophobicContact CE1-CZ2 4.01Å; F119-W339 HydrophobicContact CE1-CZ3 4.42Å; F119-W339 AromaticContact CE2-CD1 3.89Å; F119-W339 HydrophobicContact CE2-CD2 4.18Å; F119-W339 AromaticContact CE2-CE2 3.84Å; F119-W339 HydrophobicContact CE2-CG 4.17Å; F119-W339 HydrophobicContact CE2-CZ2 4.37Å; F119-W339 AromaticContact CE2-NE1 3.7Å; F119-W339 AromaticContact CZ-CD1 3.97Å; F119-W339 AromaticContact CZ-CD2 3.48Å; F119-W339 HydrophobicContact CZ-CD2 3.48Å; F119-W339 VanDerWaalsContact CZ-CD2 3.48Å; F119-W339 AromaticContact CZ-CE2 3.33Å; F119-W339 AromaticContact CZ-CE3 3.98Å; F119-W339 HydrophobicContact CZ-CE3 3.98Å; F119-W339 AromaticContact CZ-CG 3.85Å; F119-W339 HydrophobicContact CZ-CG 3.85Å; F119-W339 HydrophobicContact CZ-CH2 4.11Å; F119-W339 AromaticContact CZ-CZ2 3.67Å; F119-W339 HydrophobicContact CZ-CZ2 3.67Å; F119-W339 HydrophobicContact CZ-CZ3 4.27Å; F119-W339 AromaticContact CZ-NE1 3.69Å
120	H	90.6	Very high	88.4	Confident	77 Å²	77	48.2 Å²	48.2	36%	0.356	25%	0.245	S	C	.	.	H	α-helix	trans	-71.3	-48	170.9	-176.3	81.7	0	0	0	109.7	L20 N117 I118 K122 R123 T124	L20-H120 WeakPolarHBondContact CD2-NE2 3.43Å; N117-H120 HydrophobicContact CB-CB 3.87Å; N117-H120 WeakPolarHBondContact O-CA 3.36Å; N117-H120 WeakPolarHBondContact O-CB 3.35Å; N117-H120 PolarHBondContact O-N 3.23Å; N117-H120 PolarHBondContact OD1-N 2.68Å; I118-H120 VanDerWaalsContact C-N 3.32Å; I118-H120 PolarHBondContact O-N 3.19Å; H120-K122 VanDerWaalsContact C-N 3.32Å; H120-K122 PolarHBondContact O-N 3.36Å; H120-R123 WeakPolarHBondContact O-CA 3.47Å; H120-R123 WeakPolarHBondContact O-CB 3.4Å; H120-R123 PolarHBondContact O-N 2.87Å; H120-T124 PolarHBondContact O-N 3.47Å; H120-T124 VanDerWaalsContact O-N 3.12Å; H120-T124 PolarHBondContact O-OG1 3.34Å
121	L	89.5	Confident	88.6	Confident	11 Å²	11	47.4 Å²	47.4	6%	0.058	24%	0.237	C	C	.	.	H	α-helix	trans	-56	-44.2	176.8	-177.6	67.3	0	0	0	112.1	I108 F116 N117 I118 R123 T124 S125 T129 I133	I108-L121 HydrophobicContact CD1-CD1 4.03Å; I108-L121 HydrophobicContact CD1-CD2 3.83Å; I108-L121 HydrophobicContact CG1-CD1 4.03Å; I108-L121 HydrophobicContact CG2-CD1 4.33Å; F116-L121 HydrophobicContact CE1-CB 4.1Å; F116-L121 HydrophobicContact CE1-CD2 3.98Å; F116-L121 HydrophobicContact CZ-CB 3.93Å; F116-L121 HydrophobicContact CZ-CD2 3.87Å; F116-L121 HydrophobicContact CZ-CG 4.34Å; N117-L121 PolarHBondContact O-N 3.3Å; N117-L121 VanDerWaalsContact O-N 3.09Å; I118-L121 HydrophobicContact CD1-CD2 4.47Å; I118-L121 PolarHBondContact O-N 3.15Å; L121-R123 PolarHBondContact O-N 3.08Å; L121-T124 PolarHBondContact O-N 3.47Å; L121-T124 VanDerWaalsContact O-N 3.08Å; L121-T124 PolarHBondContact O-OG1 3.42Å; L121-S125 WeakPolarHBondContact O-CB 3.35Å; L121-S125 PolarHBondContact O-N 3.16Å; L121-T129 HydrophobicContact CD2-CG2 3.68Å; L121-T129 HydrophobicContact CG-CG2 4.13Å; L121-I133 HydrophobicContact CD2-CD1 3.62Å; L121-I133 HydrophobicContact CD2-CG1 3.64Å
122	K	88.9	Confident	88.6	Confident	51 Å²	51	49.1 Å²	49.1	22%	0.222	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-22.1	177.4	-168.7	61.9	174.8	-171.9	0	114	I118 H120 T129 E162 L175	I118-K122 PolarHBondContact O-N 2.79Å; H120-K122 VanDerWaalsContact C-N 3.32Å; H120-K122 PolarHBondContact O-N 3.36Å; K122-T129 WeakPolarHBondContact CD-OG1 3.34Å; K122-E162 IonicContact NZ-OE1 2.92Å; K122-E162 PolarHBondContact NZ-OE1 2.87Å; K122-L175 HydrophobicContact CB-CD1 3.61Å; K122-L175 HydrophobicContact CB-CD2 4.39Å; K122-L175 HydrophobicContact CD-CD1 4.16Å; K122-L175 HydrophobicContact CG-CD1 3.87Å; K122-L175 HydrophobicContact CG-CD2 4.25Å
123	R	86.8	Confident	88.6	Confident	175 Å²	175	48 Å²	48	66%	0.66	24%	0.238	S	C	*	.	H	α-helix	trans	-86.6	-22.5	175	-67.5	174.3	-167.8	112.7	-6.7	112.7	F119 H120 L121	F119-R123 VanDerWaalsContact C-NH1 3.28Å; F119-R123 VanDerWaalsContact O-CG 3.28Å; F119-R123 WeakPolarHBondContact O-CG 3.29Å; F119-R123 PolarHBondContact O-NH1 2.87Å; H120-R123 WeakPolarHBondContact O-CA 3.47Å; H120-R123 WeakPolarHBondContact O-CB 3.4Å; H120-R123 PolarHBondContact O-N 2.87Å; L121-R123 PolarHBondContact O-N 3.08Å
124	T	79.4	Confident	88.7	Confident	89 Å²	89	45.6 Å²	45.6	55%	0.546	23%	0.226	S	C	.	.	H	α-helix	trans	-103	-27.9	-178.3	57.6	0	0	0	0	114	H120 L121	H120-T124 PolarHBondContact O-N 3.47Å; H120-T124 VanDerWaalsContact O-N 3.12Å; H120-T124 PolarHBondContact O-OG1 3.34Å; L121-T124 PolarHBondContact O-N 3.47Å; L121-T124 VanDerWaalsContact O-N 3.08Å; L121-T124 PolarHBondContact O-OG1 3.42Å
125	S	71.7	Confident	88.6	Confident	17 Å²	17	45.6 Å²	45.6	12%	0.119	23%	0.226	C	C	.	.	S	Bend	trans	-86.6	144.2	171.6	164.5	0	0	0	0	110.7	L121 N127 D132	L121-S125 WeakPolarHBondContact O-CB 3.35Å; L121-S125 PolarHBondContact O-N 3.16Å; S125-N127 PolarHBondContact O-N 2.67Å; S125-D132 PolarHBondContact OG-OD2 2.92Å
126	S	63.8	Low	88.6	Confident	88 Å²	88	44.4 Å²	44.4	62%	0.615	22%	0.219	S	C	*	.			trans	-80.1	90.6	174.5	45.3	0	0	0	0	111	Y128	S126-Y128 WeakPolarHBondContact O-CD2 3.4Å; S126-Y128 PolarHBondContact O-N 3.16Å
127	N	71.9	Confident	88.8	Confident	119 Å²	119	43.9 Å²	43.9	64%	0.636	22%	0.217	S	C	*	.	S	Bend	trans	55.5	4.5	165.1	-72.2	-15.8	0	0	0	119	S125	S125-N127 PolarHBondContact O-N 2.67Å
128	Y	87.1	Confident	89	Confident	99 Å²	99	40.9 Å²	40.9	39%	0.388	20%	0.2	S	C	.	.			trans	-126.9	49.7	-172.1	-63.6	-64.1	0	0	0	112.2	S126 R131 D132 N159 E162	S126-Y128 WeakPolarHBondContact O-CD2 3.4Å; S126-Y128 PolarHBondContact O-N 3.16Å; Y128-R131 PolarHBondContact O-N 2.95Å; Y128-D132 PolarHBondContact O-N 3.24Å; Y128-N159 WeakPolarHBondContact CD1-OD1 3.35Å; Y128-E162 WeakPolarHBondContact CA-OE2 3.36Å
129	T	92.4	Very high	89	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-37.2	-172.9	-51.8	0	0	0	0	113.2	I118 L121 K122 I133 E162 L175 A178	I118-T129 HydrophobicContact CD1-CG2 4.08Å; L121-T129 HydrophobicContact CD2-CG2 3.68Å; L121-T129 HydrophobicContact CG-CG2 4.13Å; K122-T129 WeakPolarHBondContact CD-OG1 3.34Å; T129-I133 HydrophobicContact CG2-CD1 4.22Å; T129-I133 WeakPolarHBondContact O-CB 3.33Å; T129-I133 WeakPolarHBondContact O-CG1 3.36Å; T129-I133 PolarHBondContact O-N 3.49Å; T129-E162 VanDerWaalsContact N-CD 3.29Å; T129-E162 PolarHBondContact N-OE1 3.31Å; T129-E162 PolarHBondContact N-OE2 2.84Å; T129-L175 HydrophobicContact CG2-CD1 4.47Å; T129-A178 HydrophobicContact CG2-CB 3.85Å
130	I	95	Very high	89.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.6	-43.8	173.5	-62.8	-178.8	0	0	0	109.8	G134 F158 I161 E162 Y165 A174 A177 A178 L181 A210	I130-G134 WeakPolarHBondContact O-CA 3.23Å; I130-G134 PolarHBondContact O-N 3.19Å; I130-F158 HydrophobicContact CG2-CB 4.46Å; I130-F158 HydrophobicContact CG2-CD1 3.82Å; I130-I161 HydrophobicContact CD1-CG2 3.95Å; I130-I161 HydrophobicContact CG2-CG2 4.13Å; I130-E162 HydrophobicContact CB-CB 4.43Å; I130-E162 WeakPolarHBondContact CB-OE2 3.18Å; I130-E162 HydrophobicContact CD1-CB 4.39Å; I130-E162 PolarHBondContact N-OE2 3.48Å; I130-Y165 HydrophobicContact CD1-CD2 4.1Å; I130-Y165 HydrophobicContact CD1-CE2 3.87Å; I130-A174 HydrophobicContact CD1-CB 3.74Å; I130-A174 HydrophobicContact CG1-CB 4.27Å; I130-A174 WeakPolarHBondContact CG1-O 3.32Å; I130-A177 HydrophobicContact CD1-CB 3.96Å; I130-A178 HydrophobicContact CG1-CB 3.98Å; I130-L181 HydrophobicContact CG2-CD2 4.34Å; I130-A210 HydrophobicContact CG2-CB 4.07Å
131	R	94.2	Very high	89.4	Confident	50 Å²	50	46.6 Å²	46.6	19%	0.189	23%	0.231	C	C	.	.	H	α-helix	trans	-62.3	-51.7	178.5	-177.3	-158.4	61	-144	5.3	111.7	Y128 I133 G134 L135 F158 N159	Y128-R131 PolarHBondContact O-N 2.95Å; R131-I133 VanDerWaalsContact C-N 3.32Å; R131-I133 PolarHBondContact O-N 3.33Å; R131-G134 PolarHBondContact O-N 3.43Å; R131-L135 HydrophobicContact CG-CD1 3.52Å; R131-L135 HydrophobicContact CG-CG 4.04Å; R131-L135 WeakPolarHBondContact O-CB 3.47Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 3.2Å; R131-F158 VanDerWaalsContact CA-CB 3.48Å; R131-F158 HydrophobicContact CB-CB 3.73Å; R131-F158 HydrophobicContact CG-CB 4.03Å; R131-N159 WeakPolarHBondContact CD-OD1 3.42Å; R131-N159 PolarHBondContact NH1-OD1 3.43Å; R131-N159 VanDerWaalsContact NH1-OD1 3.16Å
132	D	92.3	Very high	89.8	Confident	39 Å²	39	49 Å²	49	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-40.5	-173.2	-61.3	-17.6	0	0	0	110.9	I108 S125 Y128 Q136	I108-D132 HydrophobicContact CD1-CB 3.99Å; S125-D132 PolarHBondContact OG-OD2 2.92Å; Y128-D132 PolarHBondContact O-N 3.24Å; D132-Q136 WeakPolarHBondContact O-CB 3.27Å; D132-Q136 PolarHBondContact O-N 2.77Å
133	I	94.8	Very high	90.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-52.6	172.4	-72.6	-176.6	0	0	0	111.4	I108 L111 F116 I118 L121 T129 R131 L135 Q136 I137 A178 L181	I108-I133 HydrophobicContact CD1-CG1 3.83Å; L111-I133 HydrophobicContact CD1-CD1 4.1Å; L111-I133 HydrophobicContact CD1-CG1 3.91Å; L111-I133 HydrophobicContact CD1-CG2 4.22Å; L111-I133 HydrophobicContact CD2-CG2 4.34Å; F116-I133 HydrophobicContact CE1-CD1 4.48Å; I118-I133 HydrophobicContact CD1-CD1 3.47Å; I118-I133 VanDerWaalsContact CD1-CD1 3.47Å; L121-I133 HydrophobicContact CD2-CD1 3.62Å; L121-I133 HydrophobicContact CD2-CG1 3.64Å; T129-I133 HydrophobicContact CG2-CD1 4.22Å; T129-I133 WeakPolarHBondContact O-CB 3.33Å; T129-I133 WeakPolarHBondContact O-CG1 3.36Å; T129-I133 PolarHBondContact O-N 3.49Å; R131-I133 VanDerWaalsContact C-N 3.32Å; R131-I133 PolarHBondContact O-N 3.33Å; I133-L135 PolarHBondContact O-N 2.85Å; I133-Q136 PolarHBondContact O-N 3.13Å; I133-I137 HydrophobicContact CG2-CD1 3.38Å; I133-I137 HydrophobicContact CG2-CG1 4.29Å; I133-I137 WeakPolarHBondContact O-CG1 3.34Å; I133-I137 PolarHBondContact O-N 2.67Å; I133-A178 HydrophobicContact CD1-CB 4.3Å; I133-L181 HydrophobicContact CB-CD2 4.47Å; I133-L181 HydrophobicContact CG2-CD2 3.74Å; I133-L181 HydrophobicContact CG2-CG 3.95Å
134	G	96.5	Very high	90.7	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-47	-173	0	0	0	0	0	112.8	I130 R131 Q136 I137 M138	I130-G134 WeakPolarHBondContact O-CA 3.23Å; I130-G134 PolarHBondContact O-N 3.19Å; R131-G134 PolarHBondContact O-N 3.43Å; G134-Q136 VanDerWaalsContact C-N 3.34Å; G134-Q136 PolarHBondContact O-N 2.98Å; G134-I137 PolarHBondContact O-N 3.47Å; G134-M138 WeakPolarHBondContact O-CB 3.48Å; G134-M138 VanDerWaalsContact O-CG 3.27Å; G134-M138 WeakPolarHBondContact O-CG 3.4Å; G134-M138 PolarHBondContact O-N 3.5Å
135	L	95.8	Very high	91.6	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-39.2	176.9	-69	177	0	0	0	112.4	R131 I133 N139 F144 Y151 M154 A155 F158	R131-L135 HydrophobicContact CG-CD1 3.52Å; R131-L135 HydrophobicContact CG-CG 4.04Å; R131-L135 WeakPolarHBondContact O-CB 3.47Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 3.2Å; I133-L135 PolarHBondContact O-N 2.85Å; L135-N139 PolarHBondContact O-N 2.94Å; L135-N139 VanDerWaalsContact O-N 3.12Å; L135-F144 HydrophobicContact CD2-CE1 4.47Å; L135-F144 HydrophobicContact CD2-CZ 3.89Å; L135-Y151 HydrophobicContact CB-CE2 4.36Å; L135-Y151 WeakPolarHBondContact CB-OH 3.5Å; L135-Y151 HydrophobicContact CD1-CE1 3.97Å; L135-Y151 HydrophobicContact CD2-CE1 4.38Å; L135-Y151 HydrophobicContact CD2-CE2 4.18Å; L135-M154 HydrophobicContact CD2-CB 3.9Å; L135-A155 HydrophobicContact CD1-CB 3.79Å; L135-A155 HydrophobicContact CD2-CB 4.31Å; L135-F158 HydrophobicContact CD2-CD2 3.94Å; L135-F158 HydrophobicContact CD2-CE2 4.07Å; L135-F158 HydrophobicContact CG-CD2 4Å; L135-F158 HydrophobicContact CG-CE2 4.32Å
136	Q	95	Very high	92.8	Very high	26 Å²	26	46.8 Å²	46.8	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-46.3	176.6	-179.2	171.9	-38.7	0	0	111.5	I108 L111 D132 I133 G134 M138 N139 E140	I108-Q136 PolarHBondContact O-NE2 2.98Å; L111-Q136 HydrophobicContact CD2-CB 4.26Å; L111-Q136 HydrophobicContact CD2-CG 4.17Å; D132-Q136 WeakPolarHBondContact O-CB 3.27Å; D132-Q136 PolarHBondContact O-N 2.77Å; I133-Q136 PolarHBondContact O-N 3.13Å; G134-Q136 VanDerWaalsContact C-N 3.34Å; G134-Q136 PolarHBondContact O-N 2.98Å; Q136-M138 VanDerWaalsContact C-N 3.33Å; Q136-M138 PolarHBondContact O-N 3.28Å; Q136-N139 WeakPolarHBondContact O-CB 3.48Å; Q136-N139 PolarHBondContact O-N 2.73Å; Q136-N139 VanDerWaalsContact O-N 3.1Å; Q136-E140 HydrophobicContact CG-CG 4.35Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.25Å; Q136-E140 PolarHBondContact NE2-OE1 3.16Å; Q136-E140 WeakPolarHBondContact O-CG 3.16Å; Q136-E140 PolarHBondContact O-N 2.95Å
137	I	97.1	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-42.4	178.6	-66.4	165.1	0	0	0	110.9	L111 I133 G134 N139 E140 Y141 L181 H185 L206	L111-I137 HydrophobicContact CD2-CD1 4.21Å; L111-I137 HydrophobicContact CD2-CG1 3.68Å; L111-I137 HydrophobicContact CG-CG1 4.42Å; I133-I137 HydrophobicContact CG2-CD1 3.38Å; I133-I137 HydrophobicContact CG2-CG1 4.29Å; I133-I137 WeakPolarHBondContact O-CG1 3.34Å; I133-I137 PolarHBondContact O-N 2.67Å; G134-I137 PolarHBondContact O-N 3.47Å; I137-N139 PolarHBondContact O-N 3.02Å; I137-E140 PolarHBondContact O-N 3.4Å; I137-Y141 HydrophobicContact CG2-CD2 3.49Å; I137-Y141 VanDerWaalsContact CG2-CD2 3.49Å; I137-Y141 HydrophobicContact CG2-CE2 3.36Å; I137-Y141 WeakPolarHBondContact O-CD2 3.42Å; I137-Y141 PolarHBondContact O-N 3.29Å; I137-L181 HydrophobicContact CD1-CD1 4.46Å; I137-L181 HydrophobicContact CD1-CG 4.16Å; I137-H185 HydrophobicContact CD1-CB 3.6Å; I137-H185 HydrophobicContact CG1-CB 4.1Å; I137-H185 HydrophobicContact CG2-CB 4.19Å; I137-L206 HydrophobicContact CG2-CD1 3.65Å; I137-L206 HydrophobicContact CG2-CD2 3.74Å; I137-L206 HydrophobicContact CG2-CG 4.36Å
138	M	97.5	Very high	95.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-35.2	175.5	-73.3	-173.1	70.6	0	0	112.6	G134 Q136 D142 L143 F144 L149 M154 F158 F203	G134-M138 WeakPolarHBondContact O-CB 3.48Å; G134-M138 VanDerWaalsContact O-CG 3.27Å; G134-M138 WeakPolarHBondContact O-CG 3.4Å; G134-M138 PolarHBondContact O-N 3.5Å; Q136-M138 VanDerWaalsContact C-N 3.33Å; Q136-M138 PolarHBondContact O-N 3.28Å; M138-D142 PolarHBondContact O-N 3.36Å; M138-L143 HydrophobicContact CB-CB 4.4Å; M138-L143 HydrophobicContact CE-CB 4.17Å; M138-L143 HydrophobicContact CG-CD1 4.2Å; M138-L143 PolarHBondContact O-N 3.33Å; M138-F144 HydrophobicContact CB-CD2 4.24Å; M138-F144 HydrophobicContact CB-CE1 4.4Å; M138-F144 HydrophobicContact CB-CE2 3.52Å; M138-F144 HydrophobicContact CB-CZ 3.62Å; M138-F144 HydrophobicContact CE-CD1 4.22Å; M138-F144 HydrophobicContact CE-CE1 3.82Å; M138-F144 HydrophobicContact CE-CZ 4.13Å; M138-F144 HydrophobicContact CG-CZ 4.48Å; M138-F144 HydrophobicContact SD-CE1 4.25Å; M138-F144 HydrophobicContact SD-CZ 4.11Å; M138-L149 HydrophobicContact CE-CD1 3.53Å; M138-M154 HydrophobicContact CE-CE 4.13Å; M138-M154 HydrophobicContact CE-CG 3.79Å; M138-M154 HydrophobicContact CE-SD 4.18Å; M138-M154 HydrophobicContact SD-CB 4.29Å; M138-M154 HydrophobicContact SD-CE 3.75Å; M138-M154 HydrophobicContact SD-CG 4.07Å; M138-M154 HydrophobicContact SD-SD 4.48Å; M138-F158 HydrophobicContact CG-CZ 4.46Å; M138-F158 HydrophobicContact SD-CE2 3.63Å; M138-F158 HydrophobicContact SD-CZ 3.77Å; M138-F203 HydrophobicContact CE-CD2 3.91Å; M138-F203 HydrophobicContact CE-CE2 3.51Å; M138-F203 HydrophobicContact CE-CZ 4.5Å; M138-F203 HydrophobicContact SD-CE2 4.06Å
139	N	95.7	Very high	96	Very high	108 Å²	108	39.8 Å²	39.8	58%	0.578	19%	0.187	S	C	*	.	H	α-helix	trans	-72.9	-40.5	174.4	-168.4	94.8	0	0	0	111.9	L135 Q136 I137 Y141 D142 F144	L135-N139 PolarHBondContact O-N 2.94Å; L135-N139 VanDerWaalsContact O-N 3.12Å; Q136-N139 WeakPolarHBondContact O-CB 3.48Å; Q136-N139 PolarHBondContact O-N 2.73Å; Q136-N139 VanDerWaalsContact O-N 3.1Å; I137-N139 PolarHBondContact O-N 3.02Å; N139-Y141 VanDerWaalsContact C-N 3.3Å; N139-Y141 PolarHBondContact O-N 2.99Å; N139-D142 PolarHBondContact O-N 2.65Å; N139-D142 VanDerWaalsContact O-N 3.13Å; N139-F144 HydrophobicContact CB-CD2 4.34Å; N139-F144 HydrophobicContact CB-CE2 4.09Å
140	E	95.6	Very high	96.2	Very high	85 Å²	85	44.1 Å²	44.1	40%	0.397	21%	0.21	S	C	.	.	H	α-helix	trans	-63.5	-33.3	177	-73.9	-177.8	-159.7	0	0	112.8	Q136 I137 H185	Q136-E140 HydrophobicContact CG-CG 4.35Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.25Å; Q136-E140 PolarHBondContact NE2-OE1 3.16Å; Q136-E140 WeakPolarHBondContact O-CG 3.16Å; Q136-E140 PolarHBondContact O-N 2.95Å; I137-E140 PolarHBondContact O-N 3.4Å; E140-H185 IonicContact OE2-CE1 3.33Å; E140-H185 PolarHBondContact OE2-CE1 3.37Å; E140-H185 IonicContact OE2-NE2 2.77Å
141	Y	97.2	Very high	96.2	Very high	15 Å²	15	46.6 Å²	46.6	6%	0.059	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1	173.5	-66.2	-45.7	0	0	0	114.5	I137 N139 L143 K146 H185 I188 S189 L194 I202 L206	I137-Y141 HydrophobicContact CG2-CD2 3.49Å; I137-Y141 VanDerWaalsContact CG2-CD2 3.49Å; I137-Y141 HydrophobicContact CG2-CE2 3.36Å; I137-Y141 WeakPolarHBondContact O-CD2 3.42Å; I137-Y141 PolarHBondContact O-N 3.29Å; N139-Y141 VanDerWaalsContact C-N 3.3Å; N139-Y141 PolarHBondContact O-N 2.99Å; Y141-L143 VanDerWaalsContact C-N 3.28Å; Y141-L143 PolarHBondContact O-N 3.05Å; Y141-K146 PolarHBondContact O-NZ 3.06Å; Y141-H185 AromaticContact CE2-ND1 3.69Å; Y141-H185 AromaticContact CZ-ND1 3.55Å; Y141-H185 PolarHBondContact OH-ND1 2.99Å; Y141-H185 VanDerWaalsContact OH-ND1 3.15Å; Y141-H185 PolarHBondContact OH-O 2.88Å; Y141-I188 HydrophobicContact CE1-CG2 4.04Å; Y141-I188 HydrophobicContact CE2-CG2 4.38Å; Y141-I188 WeakPolarHBondContact OH-CB 3.38Å; Y141-I188 WeakPolarHBondContact OH-CG2 3.25Å; Y141-S189 WeakPolarHBondContact OH-CB 3.38Å; Y141-S189 PolarHBondContact OH-N 2.93Å; Y141-L194 HydrophobicContact CD1-CD1 3.9Å; Y141-L194 HydrophobicContact CE1-CD1 3.83Å; Y141-I202 HydrophobicContact CD2-CG2 3.59Å; Y141-I202 HydrophobicContact CE2-CG2 3.85Å; Y141-I202 HydrophobicContact CG-CG2 4.13Å; Y141-L206 HydrophobicContact CD2-CD1 4.08Å; Y141-L206 HydrophobicContact CE2-CD1 4.31Å
142	D	97.2	Very high	96.2	Very high	60 Å²	60	50.4 Å²	50.4	32%	0.321	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	35.2	-178.7	-175.2	44.6	0	0	0	113.9	M138 N139 F144 Q145 K146	M138-D142 PolarHBondContact O-N 3.36Å; N139-D142 PolarHBondContact O-N 2.65Å; N139-D142 VanDerWaalsContact O-N 3.13Å; D142-F144 VanDerWaalsContact C-N 3.33Å; D142-F144 PolarHBondContact O-N 2.95Å; D142-Q145 PolarHBondContact O-N 3.43Å; D142-Q145 WeakPolarHBondContact OD1-CB 3.37Å; D142-K146 HydrophobicContact CB-CD 4.36Å; D142-K146 WeakPolarHBondContact O-CB 3.17Å; D142-K146 WeakPolarHBondContact O-CD 3.37Å; D142-K146 VanDerWaalsContact O-CG 3.23Å; D142-K146 WeakPolarHBondContact O-CG 3.27Å; D142-K146 PolarHBondContact O-N 3.31Å; D142-K146 VanDerWaalsContact O-N 3.08Å; D142-K146 WeakPolarHBondContact OD2-CE 3.21Å
143	L	97.9	Very high	96.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-72.6	-26.3	-176.9	-59.2	180	0	0	0	112.6	M138 Y141 L147 P199 I202 F203 L206	M138-L143 HydrophobicContact CB-CB 4.4Å; M138-L143 HydrophobicContact CE-CB 4.17Å; M138-L143 HydrophobicContact CG-CD1 4.2Å; M138-L143 PolarHBondContact O-N 3.33Å; Y141-L143 VanDerWaalsContact C-N 3.28Å; Y141-L143 PolarHBondContact O-N 3.05Å; L143-L147 HydrophobicContact CB-CD1 4.49Å; L143-L147 HydrophobicContact CD2-CD1 4.48Å; L143-L147 WeakPolarHBondContact O-CB 3.44Å; L143-L147 PolarHBondContact O-N 3.21Å; L143-P199 HydrophobicContact CD2-CB 3.89Å; L143-P199 WeakPolarHBondContact CD2-O 3.39Å; L143-I202 HydrophobicContact CD1-CG2 4.25Å; L143-F203 HydrophobicContact CD1-CB 4.12Å; L143-F203 HydrophobicContact CD1-CD2 4.22Å; L143-L206 HydrophobicContact CD1-CD1 3.87Å
144	F	97.6	Very high	96.5	Very high	29 Å²	29	49.7 Å²	49.7	13%	0.127	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-41.9	174.9	-63.3	-67.2	0	0	0	112.1	L135 M138 N139 D142 K148 L149 Y151 M154	L135-F144 HydrophobicContact CD2-CE1 4.47Å; L135-F144 HydrophobicContact CD2-CZ 3.89Å; M138-F144 HydrophobicContact CB-CD2 4.24Å; M138-F144 HydrophobicContact CB-CE1 4.4Å; M138-F144 HydrophobicContact CB-CE2 3.52Å; M138-F144 HydrophobicContact CB-CZ 3.62Å; M138-F144 HydrophobicContact CE-CD1 4.22Å; M138-F144 HydrophobicContact CE-CE1 3.82Å; M138-F144 HydrophobicContact CE-CZ 4.13Å; M138-F144 HydrophobicContact CG-CZ 4.48Å; M138-F144 HydrophobicContact SD-CE1 4.25Å; M138-F144 HydrophobicContact SD-CZ 4.11Å; N139-F144 HydrophobicContact CB-CD2 4.34Å; N139-F144 HydrophobicContact CB-CE2 4.09Å; D142-F144 VanDerWaalsContact C-N 3.33Å; D142-F144 PolarHBondContact O-N 2.95Å; F144-K148 CarbonylContact O-C 3.57Å; F144-K148 VanDerWaalsContact O-CA 3.3Å; F144-K148 WeakPolarHBondContact O-CA 3.45Å; F144-K148 PolarHBondContact O-N 2.9Å; F144-L149 HydrophobicContact CD1-CB 4.22Å; F144-L149 PolarHBondContact O-N 3.45Å; F144-Y151 HydrophobicContact CD1-CD2 4.13Å; F144-Y151 HydrophobicContact CD2-CD2 4.07Å; F144-Y151 HydrophobicContact CD2-CE2 4.4Å; F144-Y151 AromaticContact CE1-CD2 3.68Å; F144-Y151 HydrophobicContact CE1-CD2 3.68Å; F144-Y151 HydrophobicContact CE1-CE2 4.3Å; F144-Y151 HydrophobicContact CE1-CG 4.37Å; F144-Y151 AromaticContact CE2-CD2 3.61Å; F144-Y151 HydrophobicContact CE2-CD2 3.61Å; F144-Y151 AromaticContact CE2-CE2 3.62Å; F144-Y151 HydrophobicContact CE2-CE2 3.62Å; F144-Y151 HydrophobicContact CG-CD2 4.32Å; F144-Y151 AromaticContact CZ-CD2 3.4Å; F144-Y151 HydrophobicContact CZ-CD2 3.4Å; F144-Y151 AromaticContact CZ-CE2 3.57Å; F144-Y151 HydrophobicContact CZ-CE2 3.57Å; F144-Y151 HydrophobicContact CZ-CG 4.41Å; F144-M154 HydrophobicContact CE1-CB 3.96Å; F144-M154 HydrophobicContact CE1-CG 3.86Å
145	Q	97.2	Very high	96.5	Very high	151 Å²	151	50.3 Å²	50.3	71%	0.706	24%	0.238	S	C	*	.	H	α-helix	trans	-76.3	-49.4	176.4	-172.1	171.7	-30.4	0	0	111.2	D142 L147 K148	D142-Q145 PolarHBondContact O-N 3.43Å; D142-Q145 WeakPolarHBondContact OD1-CB 3.37Å; Q145-L147 PolarHBondContact O-N 3.46Å; Q145-K148 PolarHBondContact O-N 3.31Å
146	K	97.1	Very high	96.5	Very high	106 Å²	106	56.1 Å²	56.1	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-39.5	-174.1	-69.1	166.3	-172.4	166.6	0	113.6	Y141 D142 P199	Y141-K146 PolarHBondContact O-NZ 3.06Å; D142-K146 HydrophobicContact CB-CD 4.36Å; D142-K146 WeakPolarHBondContact O-CB 3.17Å; D142-K146 WeakPolarHBondContact O-CD 3.37Å; D142-K146 VanDerWaalsContact O-CG 3.23Å; D142-K146 WeakPolarHBondContact O-CG 3.27Å; D142-K146 PolarHBondContact O-N 3.31Å; D142-K146 VanDerWaalsContact O-N 3.08Å; D142-K146 WeakPolarHBondContact OD2-CE 3.21Å; K146-P199 HydrophobicContact CB-CB 4.16Å; K146-P199 HydrophobicContact CB-CG 4.45Å; K146-P199 HydrophobicContact CD-CB 4.04Å; K146-P199 HydrophobicContact CD-CG 3.84Å
147	L	96.7	Very high	96.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	11.5	-178.8	-54.6	177.8	0	0	0	112.6	L143 Q145 L149 P199 T200 F203 L262 E266	L143-L147 HydrophobicContact CB-CD1 4.49Å; L143-L147 HydrophobicContact CD2-CD1 4.48Å; L143-L147 WeakPolarHBondContact O-CB 3.44Å; L143-L147 PolarHBondContact O-N 3.21Å; Q145-L147 PolarHBondContact O-N 3.46Å; L147-L149 HydrophobicContact CB-CD1 3.88Å; L147-L149 HydrophobicContact CB-CG 3.81Å; L147-L149 HydrophobicContact CD1-CD1 4.11Å; L147-L149 PolarHBondContact O-N 3.35Å; L147-P199 HydrophobicContact CD2-CB 4.38Å; L147-T200 WeakPolarHBondContact CD2-OG1 3.4Å; L147-F203 HydrophobicContact CD1-CB 3.54Å; L147-F203 HydrophobicContact CD1-CD1 3.79Å; L147-F203 HydrophobicContact CD1-CD2 4.36Å; L147-F203 HydrophobicContact CD1-CG 3.64Å; L147-L262 HydrophobicContact CB-CD2 4.11Å; L147-E266 WeakPolarHBondContact CD2-OE1 3.26Å
148	K	96.6	Very high	96.5	Very high	147 Å²	147	55 Å²	55	64%	0.639	26%	0.255	S	S	*	.			trans	54.6	24.3	178.8	-52.9	164.9	-168.1	166.2	0	114.2	F144 Q145 E263	F144-K148 CarbonylContact O-C 3.57Å; F144-K148 VanDerWaalsContact O-CA 3.3Å; F144-K148 WeakPolarHBondContact O-CA 3.45Å; F144-K148 PolarHBondContact O-N 2.9Å; Q145-K148 PolarHBondContact O-N 3.31Å; K148-E263 IonicContact NZ-OE1 3.45Å; K148-E263 PolarHBondContact NZ-OE1 3.49Å
149	L	97	Very high	96.4	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.042	27%	0.267	C	S	.	.			trans	-75	134.6	-171.3	-67.5	171.3	0	0	0	112.2	M138 F144 L147 Y151 M153 M154 F203 L258 A261 L262	M138-L149 HydrophobicContact CE-CD1 3.53Å; F144-L149 HydrophobicContact CD1-CB 4.22Å; F144-L149 PolarHBondContact O-N 3.45Å; L147-L149 HydrophobicContact CB-CD1 3.88Å; L147-L149 HydrophobicContact CB-CG 3.81Å; L147-L149 HydrophobicContact CD1-CD1 4.11Å; L147-L149 PolarHBondContact O-N 3.35Å; L149-Y151 PolarHBondContact O-N 2.88Å; L149-M153 HydrophobicContact CD2-CE 3.95Å; L149-M154 HydrophobicContact CB-CG 4.32Å; L149-M154 HydrophobicContact CD1-SD 4.32Å; L149-F203 HydrophobicContact CD1-CD1 4.5Å; L149-F203 HydrophobicContact CD1-CD2 4.15Å; L149-F203 HydrophobicContact CD1-CE1 4.04Å; L149-F203 HydrophobicContact CD1-CE2 3.66Å; L149-F203 HydrophobicContact CD1-CZ 3.58Å; L149-L258 HydrophobicContact CD2-CD1 3.66Å; L149-A261 HydrophobicContact CD2-CB 4.48Å; L149-L262 HydrophobicContact CD2-CD2 3.85Å; L149-L262 HydrophobicContact CD2-CG 4.21Å; L149-L262 HydrophobicContact CG-CD2 4.46Å
150	N	95.9	Very high	96.4	Very high	90 Å²	90	52.7 Å²	52.7	48%	0.481	24%	0.243	S	C	.	.			trans	-73.8	127.2	174.7	-178.4	-79.8	0	0	0	111.5	F152 M153 M154	N150-F152 PolarHBondContact O-N 3.24Å; N150-F152 PolarHBondContact OD1-N 3.15Å; N150-M153 HydrophobicContact CB-CB 3.89Å; N150-M153 WeakPolarHBondContact O-CB 3.24Å; N150-M153 PolarHBondContact O-N 3.48Å; N150-M153 PolarHBondContact OD1-N 3.45Å; N150-M154 PolarHBondContact O-N 2.97Å
151	Y	95.3	Very high	96.5	Very high	52 Å²	52	48.7 Å²	48.7	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-47.1	-177.5	-167.1	-89.1	0	0	0	113.8	V103 H105 L135 F144 L149 M154 A155	V103-Y151 HydrophobicContact CG1-CE1 4.23Å; H105-Y151 AromaticContact CE1-CE1 3.45Å; H105-Y151 VanDerWaalsContact CE1-CE1 3.45Å; H105-Y151 WeakPolarHBondContact CE1-CE1 3.48Å; H105-Y151 AromaticContact CE1-CZ 3.57Å; H105-Y151 PolarHBondContact CE1-OH 2.88Å; H105-Y151 PolarHBondContact ND1-OH 2.65Å; H105-Y151 AromaticContact NE2-CE1 3.21Å; H105-Y151 WeakPolarHBondContact NE2-CE1 3.31Å; H105-Y151 AromaticContact NE2-CZ 3.34Å; H105-Y151 VanDerWaalsContact NE2-CZ 3.34Å; H105-Y151 PolarHBondContact NE2-OH 3.21Å; L135-Y151 HydrophobicContact CB-CE2 4.36Å; L135-Y151 WeakPolarHBondContact CB-OH 3.5Å; L135-Y151 HydrophobicContact CD1-CE1 3.97Å; L135-Y151 HydrophobicContact CD2-CE1 4.38Å; L135-Y151 HydrophobicContact CD2-CE2 4.18Å; F144-Y151 HydrophobicContact CD1-CD2 4.13Å; F144-Y151 HydrophobicContact CD2-CD2 4.07Å; F144-Y151 HydrophobicContact CD2-CE2 4.4Å; F144-Y151 AromaticContact CE1-CD2 3.68Å; F144-Y151 HydrophobicContact CE1-CD2 3.68Å; F144-Y151 HydrophobicContact CE1-CE2 4.3Å; F144-Y151 HydrophobicContact CE1-CG 4.37Å; F144-Y151 AromaticContact CE2-CD2 3.61Å; F144-Y151 HydrophobicContact CE2-CD2 3.61Å; F144-Y151 AromaticContact CE2-CE2 3.62Å; F144-Y151 HydrophobicContact CE2-CE2 3.62Å; F144-Y151 HydrophobicContact CG-CD2 4.32Å; F144-Y151 AromaticContact CZ-CD2 3.4Å; F144-Y151 HydrophobicContact CZ-CD2 3.4Å; F144-Y151 AromaticContact CZ-CE2 3.57Å; F144-Y151 HydrophobicContact CZ-CE2 3.57Å; F144-Y151 HydrophobicContact CZ-CG 4.41Å; L149-Y151 PolarHBondContact O-N 2.88Å; Y151-M154 PolarHBondContact O-N 3.22Å; Y151-A155 PolarHBondContact O-N 2.98Å
152	F	94.5	Very high	96.3	Very high	131 Å²	131	48.5 Å²	48.5	58%	0.575	22%	0.224	S	C	*	.	H	α-helix	trans	-69.7	-33.6	-179.3	-63.3	-78.9	0	0	0	112.4	V103 N150 A155 R156	V103-F152 HydrophobicContact CG1-CE1 3.92Å; V103-F152 HydrophobicContact CG1-CZ 4.25Å; N150-F152 PolarHBondContact O-N 3.24Å; N150-F152 PolarHBondContact OD1-N 3.15Å; F152-A155 PolarHBondContact O-N 3.48Å; F152-R156 PolarHBondContact O-N 3.28Å
153	M	96.3	Very high	96.2	Very high	23 Å²	23	49.6 Å²	49.6	11%	0.113	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-48.5	170.7	-176.4	-166.2	75.6	0	0	110.7	L149 N150 A155 R156 I157 L258 A261	L149-M153 HydrophobicContact CD2-CE 3.95Å; N150-M153 HydrophobicContact CB-CB 3.89Å; N150-M153 WeakPolarHBondContact O-CB 3.24Å; N150-M153 PolarHBondContact O-N 3.48Å; N150-M153 PolarHBondContact OD1-N 3.45Å; M153-A155 VanDerWaalsContact C-N 3.33Å; M153-A155 PolarHBondContact O-N 3.41Å; M153-R156 WeakPolarHBondContact O-CB 3.41Å; M153-R156 PolarHBondContact O-N 2.67Å; M153-R156 VanDerWaalsContact O-N 3.17Å; M153-I157 HydrophobicContact CE-CD1 4.02Å; M153-I157 HydrophobicContact CG-CD1 4.03Å; M153-I157 WeakPolarHBondContact O-CG1 3.41Å; M153-I157 PolarHBondContact O-N 2.99Å; M153-L258 HydrophobicContact CE-CD1 3.83Å; M153-A261 HydrophobicContact CE-CB 3.66Å; M153-A261 HydrophobicContact SD-CB 3.58Å; M153-A261 VanDerWaalsContact SD-CB 3.58Å
154	M	97.5	Very high	96.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-36.5	176.8	-67.6	-53.2	-46.2	0	0	112.5	L135 M138 F144 L149 N150 Y151 R156 I157 F158 F203 L207 L258	L135-M154 HydrophobicContact CD2-CB 3.9Å; M138-M154 HydrophobicContact CE-CE 4.13Å; M138-M154 HydrophobicContact CE-CG 3.79Å; M138-M154 HydrophobicContact CE-SD 4.18Å; M138-M154 HydrophobicContact SD-CB 4.29Å; M138-M154 HydrophobicContact SD-CE 3.75Å; M138-M154 HydrophobicContact SD-CG 4.07Å; M138-M154 HydrophobicContact SD-SD 4.48Å; F144-M154 HydrophobicContact CE1-CB 3.96Å; F144-M154 HydrophobicContact CE1-CG 3.86Å; L149-M154 HydrophobicContact CB-CG 4.32Å; L149-M154 HydrophobicContact CD1-SD 4.32Å; N150-M154 PolarHBondContact O-N 2.97Å; Y151-M154 PolarHBondContact O-N 3.22Å; M154-R156 VanDerWaalsContact C-N 3.31Å; M154-R156 PolarHBondContact O-N 3.04Å; M154-I157 HydrophobicContact CE-CB 4.26Å; M154-I157 HydrophobicContact CE-CD1 4.04Å; M154-I157 HydrophobicContact CE-CG2 4.11Å; M154-I157 PolarHBondContact O-N 3.37Å; M154-I157 HydrophobicContact SD-CD1 3.61Å; M154-F158 HydrophobicContact CB-CE2 4.43Å; M154-F158 HydrophobicContact CE-CE2 4Å; M154-F158 HydrophobicContact CE-CZ 4.11Å; M154-F158 WeakPolarHBondContact O-CD2 3.48Å; M154-F158 PolarHBondContact O-N 3.43Å; M154-F203 HydrophobicContact CE-CE2 3.87Å; M154-F203 HydrophobicContact CE-CZ 4.03Å; M154-F203 HydrophobicContact SD-CE2 4.27Å; M154-F203 HydrophobicContact SD-CZ 4.09Å; M154-L207 HydrophobicContact CE-CD2 4.28Å; M154-L258 HydrophobicContact SD-CD1 4.21Å
155	A	95.1	Very high	96	Very high	15 Å²	15	49 Å²	49	12%	0.124	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-39.5	173.8	0	0	0	0	0	111.9	L135 Y151 F152 M153 N159	L135-A155 HydrophobicContact CD1-CB 3.79Å; L135-A155 HydrophobicContact CD2-CB 4.31Å; Y151-A155 PolarHBondContact O-N 2.98Å; F152-A155 PolarHBondContact O-N 3.48Å; M153-A155 VanDerWaalsContact C-N 3.33Å; M153-A155 PolarHBondContact O-N 3.41Å; A155-N159 WeakPolarHBondContact O-CB 3.4Å; A155-N159 PolarHBondContact O-N 2.99Å; A155-N159 PolarHBondContact O-ND2 2.96Å
156	R	95.3	Very high	95.9	Very high	127 Å²	127	43.5 Å²	43.5	48%	0.479	22%	0.215	S	C	.	.	H	α-helix	trans	-68.5	-40	174	-167	-177.1	61.7	-165.6	-6	112.4	F152 M153 M154 N159 S160 N256	F152-R156 PolarHBondContact O-N 3.28Å; M153-R156 WeakPolarHBondContact O-CB 3.41Å; M153-R156 PolarHBondContact O-N 2.67Å; M153-R156 VanDerWaalsContact O-N 3.17Å; M154-R156 VanDerWaalsContact C-N 3.31Å; M154-R156 PolarHBondContact O-N 3.04Å; R156-N159 PolarHBondContact O-N 3.24Å; R156-S160 WeakPolarHBondContact O-CB 3.39Å; R156-S160 PolarHBondContact O-N 2.91Å; R156-S160 PolarHBondContact O-OG 2.97Å; R156-N256 WeakPolarHBondContact CD-OD1 3.43Å; R156-N256 VanDerWaalsContact CG-OD1 3.3Å; R156-N256 WeakPolarHBondContact CG-OD1 3.21Å; R156-N256 PolarHBondContact NE-OD1 3.45Å; R156-N256 PolarHBondContact NH2-O 3.24Å
157	I	97.1	Very high	95.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-55.4	173	-71.9	163.6	0	0	0	109.8	M153 M154 N159 S160 I161 L253 N256 L258	M153-I157 HydrophobicContact CE-CD1 4.02Å; M153-I157 HydrophobicContact CG-CD1 4.03Å; M153-I157 WeakPolarHBondContact O-CG1 3.41Å; M153-I157 PolarHBondContact O-N 2.99Å; M154-I157 HydrophobicContact CE-CB 4.26Å; M154-I157 HydrophobicContact CE-CD1 4.04Å; M154-I157 HydrophobicContact CE-CG2 4.11Å; M154-I157 PolarHBondContact O-N 3.37Å; M154-I157 HydrophobicContact SD-CD1 3.61Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.5Å; I157-S160 CarbonylContact O-C 3.56Å; I157-S160 WeakPolarHBondContact O-CA 3.48Å; I157-S160 VanDerWaalsContact O-CB 3.3Å; I157-S160 WeakPolarHBondContact O-CB 3.49Å; I157-S160 PolarHBondContact O-N 3.48Å; I157-I161 HydrophobicContact CG2-CD1 3.71Å; I157-I161 HydrophobicContact CG2-CG1 4.32Å; I157-I161 WeakPolarHBondContact O-CG1 3.46Å; I157-I161 PolarHBondContact O-N 2.6Å; I157-L253 HydrophobicContact CG2-CD2 3.73Å; I157-N256 HydrophobicContact CD1-CB 4.3Å; I157-N256 HydrophobicContact CG1-CB 3.41Å; I157-N256 VanDerWaalsContact CG1-CB 3.41Å; I157-L258 HydrophobicContact CD1-CB 3.99Å; I157-L258 HydrophobicContact CD1-CD1 4.41Å
158	F	96.6	Very high	95.4	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-33.4	-179.1	-67.9	-59.6	0	0	0	113.7	I130 R131 L135 M138 M154 S160 I161 E162	I130-F158 HydrophobicContact CG2-CB 4.46Å; I130-F158 HydrophobicContact CG2-CD1 3.82Å; R131-F158 VanDerWaalsContact CA-CB 3.48Å; R131-F158 HydrophobicContact CB-CB 3.73Å; R131-F158 HydrophobicContact CG-CB 4.03Å; L135-F158 HydrophobicContact CD2-CD2 3.94Å; L135-F158 HydrophobicContact CD2-CE2 4.07Å; L135-F158 HydrophobicContact CG-CD2 4Å; L135-F158 HydrophobicContact CG-CE2 4.32Å; M138-F158 HydrophobicContact CG-CZ 4.46Å; M138-F158 HydrophobicContact SD-CE2 3.63Å; M138-F158 HydrophobicContact SD-CZ 3.77Å; M154-F158 HydrophobicContact CB-CE2 4.43Å; M154-F158 HydrophobicContact CE-CE2 4Å; M154-F158 HydrophobicContact CE-CZ 4.11Å; M154-F158 WeakPolarHBondContact O-CD2 3.48Å; M154-F158 PolarHBondContact O-N 3.43Å; F158-S160 VanDerWaalsContact C-N 3.29Å; F158-S160 PolarHBondContact O-N 2.93Å; F158-I161 HydrophobicContact CD1-CD1 3.94Å; F158-I161 HydrophobicContact CE1-CD1 4.44Å; F158-I161 PolarHBondContact O-N 3.27Å; F158-E162 PolarHBondContact O-N 2.94Å
159	N	94.6	Very high	95.4	Very high	51 Å²	51	44.3 Å²	44.3	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-38.6	169.8	-75.3	-25.7	0	0	0	111.8	Y128 R131 A155 R156 I157 A163	Y128-N159 WeakPolarHBondContact CD1-OD1 3.35Å; R131-N159 WeakPolarHBondContact CD-OD1 3.42Å; R131-N159 PolarHBondContact NH1-OD1 3.43Å; R131-N159 VanDerWaalsContact NH1-OD1 3.16Å; A155-N159 WeakPolarHBondContact O-CB 3.4Å; A155-N159 PolarHBondContact O-N 2.99Å; A155-N159 PolarHBondContact O-ND2 2.96Å; R156-N159 PolarHBondContact O-N 3.24Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.5Å; N159-A163 WeakPolarHBondContact O-CB 3.23Å; N159-A163 PolarHBondContact O-N 3.24Å; N159-A163 VanDerWaalsContact O-N 3.08Å
160	S	96.1	Very high	95.4	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.07	24%	0.235	C	C	.	.	H	α-helix	trans	-69.6	-38.9	177.1	-55.5	0	0	0	0	111.7	R156 I157 F158 A163 A164 N256 V613	R156-S160 WeakPolarHBondContact O-CB 3.39Å; R156-S160 PolarHBondContact O-N 2.91Å; R156-S160 PolarHBondContact O-OG 2.97Å; I157-S160 CarbonylContact O-C 3.56Å; I157-S160 WeakPolarHBondContact O-CA 3.48Å; I157-S160 VanDerWaalsContact O-CB 3.3Å; I157-S160 WeakPolarHBondContact O-CB 3.49Å; I157-S160 PolarHBondContact O-N 3.48Å; F158-S160 VanDerWaalsContact C-N 3.29Å; F158-S160 PolarHBondContact O-N 2.93Å; S160-A163 PolarHBondContact O-N 3.42Å; S160-A164 PolarHBondContact O-N 3.11Å; S160-A164 VanDerWaalsContact O-N 3.11Å; S160-N256 PolarHBondContact OG-ND2 2.91Å; S160-N256 VanDerWaalsContact OG-ND2 3.15Å; S160-N256 PolarHBondContact OG-OD1 2.92Å; S160-V613 VanDerWaalsContact OG-CG2 3.29Å; S160-V613 WeakPolarHBondContact OG-CG2 3.41Å
161	I	96.8	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-46.4	172.9	-64.4	170.7	0	0	0	110.5	I130 I157 F158 A163 A164 Y165 A210 L211 I252	I130-I161 HydrophobicContact CD1-CG2 3.95Å; I130-I161 HydrophobicContact CG2-CG2 4.13Å; I157-I161 HydrophobicContact CG2-CD1 3.71Å; I157-I161 HydrophobicContact CG2-CG1 4.32Å; I157-I161 WeakPolarHBondContact O-CG1 3.46Å; I157-I161 PolarHBondContact O-N 2.6Å; F158-I161 HydrophobicContact CD1-CD1 3.94Å; F158-I161 HydrophobicContact CE1-CD1 4.44Å; F158-I161 PolarHBondContact O-N 3.27Å; I161-A163 VanDerWaalsContact C-N 3.28Å; I161-A163 PolarHBondContact O-N 3.16Å; I161-A164 VanDerWaalsContact O-CB 3.24Å; I161-A164 WeakPolarHBondContact O-CB 3.28Å; I161-A164 PolarHBondContact O-N 2.89Å; I161-Y165 HydrophobicContact CG2-CE2 4.08Å; I161-Y165 WeakPolarHBondContact O-CD2 3.42Å; I161-A210 HydrophobicContact CD1-CB 4.34Å; I161-A210 HydrophobicContact CG2-CB 4.16Å; I161-A210 WeakPolarHBondContact CG2-O 3.46Å; I161-L211 HydrophobicContact CB-CD2 4.34Å; I161-L211 HydrophobicContact CD1-CD1 3.82Å; I161-L211 HydrophobicContact CD1-CD2 4.43Å; I161-L211 HydrophobicContact CD1-CG 3.91Å; I161-L211 HydrophobicContact CG1-CD1 4.01Å; I161-L211 HydrophobicContact CG1-CD2 3.8Å; I161-L211 HydrophobicContact CG1-CG 3.85Å; I161-L211 HydrophobicContact CG2-CD2 3.96Å; I161-L211 HydrophobicContact CG2-CG 4.03Å; I161-I252 HydrophobicContact CG1-CG2 4.13Å
162	E	94.5	Very high	95.7	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-31.8	178.4	-170.6	134.6	-170.1	0	0	112.4	K122 Y128 T129 I130 F158 A164 A174	K122-E162 IonicContact NZ-OE1 2.92Å; K122-E162 PolarHBondContact NZ-OE1 2.87Å; Y128-E162 WeakPolarHBondContact CA-OE2 3.36Å; T129-E162 VanDerWaalsContact N-CD 3.29Å; T129-E162 PolarHBondContact N-OE1 3.31Å; T129-E162 PolarHBondContact N-OE2 2.84Å; I130-E162 HydrophobicContact CB-CB 4.43Å; I130-E162 WeakPolarHBondContact CB-OE2 3.18Å; I130-E162 HydrophobicContact CD1-CB 4.39Å; I130-E162 PolarHBondContact N-OE2 3.48Å; F158-E162 PolarHBondContact O-N 2.94Å; E162-A164 VanDerWaalsContact C-N 3.29Å; E162-A164 PolarHBondContact O-N 3.41Å; E162-A174 HydrophobicContact CB-CB 4.43Å; E162-A174 HydrophobicContact CG-CB 3.68Å
163	A	94.5	Very high	95.8	Very high	82 Å²	82	35.8 Å²	35.8	68%	0.678	19%	0.189	S	C	*	.	H	α-helix	trans	-73.3	-15.9	173.1	0	0	0	0	0	114.3	N159 S160 I161 Y165	N159-A163 WeakPolarHBondContact O-CB 3.23Å; N159-A163 PolarHBondContact O-N 3.24Å; N159-A163 VanDerWaalsContact O-N 3.08Å; S160-A163 PolarHBondContact O-N 3.42Å; I161-A163 VanDerWaalsContact C-N 3.28Å; I161-A163 PolarHBondContact O-N 3.16Å; A163-Y165 VanDerWaalsContact C-N 3.28Å; A163-Y165 PolarHBondContact O-N 2.9Å
164	A	95	Very high	95.8	Very high	11 Å²	11	34.8 Å²	34.8	9%	0.091	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.8	176.6	0	0	0	0	0	113.9	S160 I161 E162 A214 D215 F248 I252	S160-A164 PolarHBondContact O-N 3.11Å; S160-A164 VanDerWaalsContact O-N 3.11Å; I161-A164 VanDerWaalsContact O-CB 3.24Å; I161-A164 WeakPolarHBondContact O-CB 3.28Å; I161-A164 PolarHBondContact O-N 2.89Å; E162-A164 VanDerWaalsContact C-N 3.29Å; E162-A164 PolarHBondContact O-N 3.41Å; A164-A214 HydrophobicContact CB-CB 4.18Å; A164-D215 WeakPolarHBondContact O-CA 3.43Å; A164-D215 PolarHBondContact O-N 3.1Å; A164-F248 HydrophobicContact CB-CE1 3.83Å; A164-I252 HydrophobicContact CB-CD1 3.64Å
165	Y	96.6	Very high	95.8	Very high	6 Å²	6	35.4 Å²	35.4	2%	0.024	19%	0.188	C	C	.	.	S	Bend	trans	-99	138.2	-177	-74.7	-86.3	0	0	0	113.2	I130 I161 A163 N167 A174 A177 A210 D213 A214	I130-Y165 HydrophobicContact CD1-CD2 4.1Å; I130-Y165 HydrophobicContact CD1-CE2 3.87Å; I161-Y165 HydrophobicContact CG2-CE2 4.08Å; I161-Y165 WeakPolarHBondContact O-CD2 3.42Å; A163-Y165 VanDerWaalsContact C-N 3.28Å; A163-Y165 PolarHBondContact O-N 2.9Å; Y165-N167 PolarHBondContact O-N 3.23Å; Y165-A174 HydrophobicContact CD2-CB 3.84Å; Y165-A174 HydrophobicContact CG-CB 3.97Å; Y165-A177 HydrophobicContact CE1-CB 3.95Å; Y165-A177 HydrophobicContact CE2-CB 3.82Å; Y165-A177 VanDerWaalsContact CZ-CB 3.41Å; Y165-A177 VanDerWaalsContact OH-CB 3.23Å; Y165-A177 WeakPolarHBondContact OH-CB 3.14Å; Y165-A210 WeakPolarHBondContact CE2-O 3.45Å; Y165-A210 PolarHBondContact OH-O 3.37Å; Y165-D213 HydrophobicContact CE1-CB 3.66Å; Y165-D213 WeakPolarHBondContact CE1-O 3.39Å; Y165-D213 PolarHBondContact OH-N 3.23Å; Y165-A214 PolarHBondContact OH-N 3.22Å
166	H	93.7	Very high	95.9	Very high	36 Å²	36	34.7 Å²	34.7	17%	0.167	18%	0.182	C	C	.	.			trans	-79.1	101.8	-179.7	-69.2	133.9	0	0	0	112.7	F168 N169 D215 H216	H166-F168 HydrophobicContact CB-CD1 3.95Å; H166-F168 HydrophobicContact CB-CD2 4.23Å; H166-F168 HydrophobicContact CB-CE1 3.56Å; H166-F168 HydrophobicContact CB-CE2 3.85Å; H166-F168 HydrophobicContact CB-CG 4.27Å; H166-F168 HydrophobicContact CB-CZ 3.5Å; H166-F168 AromaticContact CD2-CE1 3.41Å; H166-F168 VanDerWaalsContact CD2-CE1 3.41Å; H166-F168 WeakPolarHBondContact CD2-CE1 3.29Å; H166-F168 AromaticContact CD2-CZ 3.71Å; H166-F168 AromaticContact CG-CE1 3.47Å; H166-F168 VanDerWaalsContact CG-CE1 3.47Å; H166-F168 AromaticContact CG-CZ 3.36Å; H166-F168 AromaticContact ND1-CZ 3.74Å; H166-F168 PolarHBondContact O-N 3.08Å; H166-N169 WeakPolarHBondContact O-CB 3.35Å; H166-N169 PolarHBondContact O-N 3Å; H166-D215 IonicContact CE1-OD1 3.76Å; H166-D215 PolarHBondContact CE1-OD1 3.02Å; H166-D215 IonicContact NE2-OD1 3.71Å; H166-D215 PolarHBondContact NE2-OD1 3.06Å; H166-H216 PolarHBondContact ND1-O 2.88Å
167	N	90.8	Very high	96.1	Very high	136 Å²	136	28.7 Å²	28.7	73%	0.727	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-5.6	175.1	-70.7	-54.9	0	0	0	115	Y165	Y165-N167 PolarHBondContact O-N 3.23Å
168	F	93.5	Very high	96.1	Very high	130 Å²	130	28.7 Å²	28.7	57%	0.57	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.8	171.9	61.4	-109	0	0	0	113.5	H166	H166-F168 HydrophobicContact CB-CD1 3.95Å; H166-F168 HydrophobicContact CB-CD2 4.23Å; H166-F168 HydrophobicContact CB-CE1 3.56Å; H166-F168 HydrophobicContact CB-CE2 3.85Å; H166-F168 HydrophobicContact CB-CG 4.27Å; H166-F168 HydrophobicContact CB-CZ 3.5Å; H166-F168 AromaticContact CD2-CE1 3.41Å; H166-F168 VanDerWaalsContact CD2-CE1 3.41Å; H166-F168 WeakPolarHBondContact CD2-CE1 3.29Å; H166-F168 AromaticContact CD2-CZ 3.71Å; H166-F168 AromaticContact CG-CE1 3.47Å; H166-F168 VanDerWaalsContact CG-CE1 3.47Å; H166-F168 AromaticContact CG-CZ 3.36Å; H166-F168 AromaticContact ND1-CZ 3.74Å; H166-F168 PolarHBondContact O-N 3.08Å
169	N	96.3	Very high	96.2	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.043	16%	0.159	C	C	.	.	S	Bend	trans	-72.2	134.2	173.2	-70.8	-11	0	0	0	109.5	H166 H172 T173 H216 G218 E346	H166-N169 WeakPolarHBondContact O-CB 3.35Å; H166-N169 PolarHBondContact O-N 3Å; N169-H172 VanDerWaalsContact CB-O 3.28Å; N169-H172 WeakPolarHBondContact CB-O 3.49Å; N169-H172 PolarHBondContact ND2-O 3.35Å; N169-T173 HydrophobicContact CB-CG2 3.96Å; N169-T173 WeakPolarHBondContact O-CG2 3.5Å; N169-H216 PolarHBondContact ND2-O 3.24Å; N169-G218 WeakPolarHBondContact OD1-CA 3.44Å; N169-E346 WeakPolarHBondContact CB-OE2 2.99Å
170	P	97.2	Very high	96.4	Very high	39 Å²	39	26.1 Å²	26.1	25%	0.253	15%	0.146	S	C	.	.	S	Bend	trans	-65.1	-34.4	172.3	-25.9	35.9	0	0	0	114.3	R342 C345 E346	P170-R342 WeakPolarHBondContact CB-O 3.42Å; P170-R342 WeakPolarHBondContact O-CB 3.38Å; P170-R342 WeakPolarHBondContact O-CG 3.47Å; P170-R342 PolarHBondContact O-NH1 2.98Å; P170-C345 HydrophobicContact CB-CB 3.93Å; P170-C345 HydrophobicContact CG-CB 4.17Å; P170-E346 HydrophobicContact CB-CB 4.16Å; P170-E346 WeakPolarHBondContact CD-OE2 3.5Å; P170-E346 HydrophobicContact CG-CB 4.06Å
171	Y	98.5	Very high	96.5	Very high	18 Å²	18	25.7 Å²	25.7	7%	0.071	14%	0.143	C	C	.	.	S	Bend	trans	-117	-67.6	-173	-176.6	-93.2	0	0	0	112.7	T173 H176 N328 W339 R342 V343 E346	Y171-T173 VanDerWaalsContact C-N 3.32Å; Y171-T173 WeakPolarHBondContact O-CB 3.42Å; Y171-T173 PolarHBondContact O-N 3.13Å; Y171-T173 PolarHBondContact O-OG1 3.3Å; Y171-H176 AromaticContact CE1-CE1 3.96Å; Y171-H176 AromaticContact CE1-CG 3.93Å; Y171-H176 AromaticContact CE1-ND1 3.72Å; Y171-H176 AromaticContact CE2-CE1 3.81Å; Y171-H176 AromaticContact CZ-CE1 3.41Å; Y171-H176 VanDerWaalsContact CZ-CE1 3.41Å; Y171-H176 AromaticContact CZ-ND1 3.51Å; Y171-H176 AromaticContact CZ-NE2 3.69Å; Y171-H176 WeakPolarHBondContact O-CB 3.4Å; Y171-H176 PolarHBondContact OH-CE1 2.94Å; Y171-H176 VanDerWaalsContact OH-CE1 3.3Å; Y171-H176 PolarHBondContact OH-ND1 3.28Å; Y171-H176 PolarHBondContact OH-NE2 3.48Å; Y171-N328 VanDerWaalsContact CE2-OD1 3.29Å; Y171-N328 WeakPolarHBondContact CE2-OD1 3.46Å; Y171-N328 PolarHBondContact OH-OD1 2.79Å; Y171-W339 AromaticContact CD2-CE3 3.74Å; Y171-W339 HydrophobicContact CD2-CE3 3.74Å; Y171-W339 HydrophobicContact CD2-CZ3 4.13Å; Y171-W339 HydrophobicContact CE2-CD2 4.48Å; Y171-W339 AromaticContact CE2-CE3 3.74Å; Y171-W339 HydrophobicContact CE2-CE3 3.74Å; Y171-W339 HydrophobicContact CE2-CZ3 4.32Å; Y171-R342 HydrophobicContact CD2-CB 4.09Å; Y171-V343 HydrophobicContact CD1-CG2 4.41Å; Y171-V343 HydrophobicContact CD2-CB 3.55Å; Y171-V343 HydrophobicContact CD2-CG2 4.23Å; Y171-V343 HydrophobicContact CE2-CB 3.86Å; Y171-V343 HydrophobicContact CE2-CG2 4.39Å; Y171-V343 HydrophobicContact CG-CB 3.93Å; Y171-V343 HydrophobicContact CG-CG2 4.22Å; Y171-E346 WeakPolarHBondContact CA-OE2 3.45Å; Y171-E346 WeakPolarHBondContact CB-OE2 3.47Å; Y171-E346 PolarHBondContact N-OE2 3.22Å
172	H	98.4	Very high	96.6	Very high	36 Å²	36	25.7 Å²	25.7	17%	0.167	14%	0.143	C	C	.	.	S	Bend	trans	-71.2	86.4	-172.2	-59.5	101.3	0	0	0	110.5	N169 D213 H216 E346	N169-H172 VanDerWaalsContact CB-O 3.28Å; N169-H172 WeakPolarHBondContact CB-O 3.49Å; N169-H172 PolarHBondContact ND2-O 3.35Å; H172-D213 IonicContact CD2-OD2 3.97Å; H172-D213 PolarHBondContact CD2-OD2 3.28Å; H172-D213 VanDerWaalsContact CD2-OD2 3.3Å; H172-H216 HydrophobicContact CB-CB 3.89Å; H172-H216 VanDerWaalsContact CB-ND1 3.32Å; H172-H216 WeakPolarHBondContact CB-ND1 3.2Å; H172-H216 AromaticContact CE1-CE1 3.67Å; H172-H216 AromaticContact CG-CE1 3.57Å; H172-H216 AromaticContact CG-CG 3.84Å; H172-H216 AromaticContact CG-ND1 3.43Å; H172-H216 AromaticContact ND1-CE1 3.2Å; H172-H216 PolarHBondContact ND1-CE1 2.9Å; H172-H216 AromaticContact ND1-ND1 3.44Å; H172-H216 PolarHBondContact ND1-ND1 3.18Å; H172-H216 AromaticContact ND1-NE2 3.89Å; H172-E346 IonicContact CE1-OE1 2.68Å; H172-E346 IonicContact CG-OE1 3.3Å; H172-E346 PolarHBondContact N-OE2 3.2Å; H172-E346 IonicContact ND1-OE1 2.86Å; H172-E346 PolarHBondContact ND1-OE1 3.37Å; H172-E346 IonicContact ND1-OE2 3.21Å
173	T	97.1	Very high	96.7	Very high	10 Å²	10	25.1 Å²	25.1	6%	0.061	14%	0.14	C	C	.	.	S	Bend	trans	-142.6	167.3	-167.1	58.2	0	0	0	0	109.6	N169 Y171 L175 H176 A177	N169-T173 HydrophobicContact CB-CG2 3.96Å; N169-T173 WeakPolarHBondContact O-CG2 3.5Å; Y171-T173 VanDerWaalsContact C-N 3.32Å; Y171-T173 WeakPolarHBondContact O-CB 3.42Å; Y171-T173 PolarHBondContact O-N 3.13Å; Y171-T173 PolarHBondContact O-OG1 3.3Å; T173-L175 PolarHBondContact O-N 2.93Å; T173-L175 PolarHBondContact OG1-N 3.42Å; T173-H176 WeakPolarHBondContact O-CB 3.44Å; T173-H176 PolarHBondContact O-N 3.1Å; T173-A177 PolarHBondContact O-N 3.31Å; T173-A177 VanDerWaalsContact O-N 3.16Å
174	A	97	Very high	96.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-57.6	-23	175	0	0	0	0	0	113	I130 E162 Y165 A178	I130-A174 HydrophobicContact CD1-CB 3.74Å; I130-A174 HydrophobicContact CG1-CB 4.27Å; I130-A174 WeakPolarHBondContact CG1-O 3.32Å; E162-A174 HydrophobicContact CB-CB 4.43Å; E162-A174 HydrophobicContact CG-CB 3.68Å; Y165-A174 HydrophobicContact CD2-CB 3.84Å; Y165-A174 HydrophobicContact CG-CB 3.97Å; A174-A178 VanDerWaalsContact O-CB 3.24Å; A174-A178 WeakPolarHBondContact O-CB 3.39Å; A174-A178 PolarHBondContact O-N 2.87Å
175	L	96.8	Very high	97.1	Very high	14 Å²	14	20.9 Å²	20.9	7%	0.073	10%	0.104	C	C	.	.	H	α-helix	trans	-72.3	-36.3	175.4	-172.6	60.2	0	0	0	112.6	I118 F119 K122 T129 T173 D179 W339	I118-L175 HydrophobicContact CG1-CD1 3.72Å; F119-L175 HydrophobicContact CD1-CD2 3.66Å; F119-L175 HydrophobicContact CE1-CD2 3.69Å; K122-L175 HydrophobicContact CB-CD1 3.61Å; K122-L175 HydrophobicContact CB-CD2 4.39Å; K122-L175 HydrophobicContact CD-CD1 4.16Å; K122-L175 HydrophobicContact CG-CD1 3.87Å; K122-L175 HydrophobicContact CG-CD2 4.25Å; T129-L175 HydrophobicContact CG2-CD1 4.47Å; T173-L175 PolarHBondContact O-N 2.93Å; T173-L175 PolarHBondContact OG1-N 3.42Å; L175-D179 PolarHBondContact O-N 3.43Å; L175-D179 VanDerWaalsContact O-N 3.12Å; L175-W339 HydrophobicContact CB-CH2 4.32Å; L175-W339 HydrophobicContact CD2-CH2 4.32Å; L175-W339 HydrophobicContact CG-CH2 3.92Å; L175-W339 HydrophobicContact CG-CZ2 4.32Å
176	H	98.2	Very high	97.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.2	-49.9	174.6	171.5	63.1	0	0	0	109.8	Y171 T173 A178 D179 V180 H212 D213 D325 W339	Y171-H176 AromaticContact CE1-CE1 3.96Å; Y171-H176 AromaticContact CE1-CG 3.93Å; Y171-H176 AromaticContact CE1-ND1 3.72Å; Y171-H176 AromaticContact CE2-CE1 3.81Å; Y171-H176 AromaticContact CZ-CE1 3.41Å; Y171-H176 VanDerWaalsContact CZ-CE1 3.41Å; Y171-H176 AromaticContact CZ-ND1 3.51Å; Y171-H176 AromaticContact CZ-NE2 3.69Å; Y171-H176 WeakPolarHBondContact O-CB 3.4Å; Y171-H176 PolarHBondContact OH-CE1 2.94Å; Y171-H176 VanDerWaalsContact OH-CE1 3.3Å; Y171-H176 PolarHBondContact OH-ND1 3.28Å; Y171-H176 PolarHBondContact OH-NE2 3.48Å; T173-H176 WeakPolarHBondContact O-CB 3.44Å; T173-H176 PolarHBondContact O-N 3.1Å; H176-A178 PolarHBondContact O-N 3.12Å; H176-D179 WeakPolarHBondContact O-CA 3.45Å; H176-D179 WeakPolarHBondContact O-CB 3.36Å; H176-D179 PolarHBondContact O-N 2.94Å; H176-V180 WeakPolarHBondContact NE2-CG2 3.33Å; H176-V180 WeakPolarHBondContact O-CG2 3.19Å; H176-V180 PolarHBondContact O-N 3.15Å; H176-H212 AromaticContact CD2-NE2 3.9Å; H176-D213 IonicContact CD2-OD2 3.07Å; H176-D213 PolarHBondContact CD2-OD2 2.96Å; H176-D325 PolarHBondContact NE2-O 2.9Å; H176-D325 IonicContact NE2-OD1 3.72Å; H176-D325 PolarHBondContact NE2-OD1 3.06Å; H176-W339 HydrophobicContact CB-CH2 3.94Å; H176-W339 HydrophobicContact CB-CZ3 4.07Å; H176-W339 AromaticContact CE1-CZ3 3.95Å
177	A	98.4	Very high	97.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-56.7	-35.2	174.7	0	0	0	0	0	113.4	I130 Y165 T173 L181	I130-A177 HydrophobicContact CD1-CB 3.96Å; Y165-A177 HydrophobicContact CE1-CB 3.95Å; Y165-A177 HydrophobicContact CE2-CB 3.82Å; Y165-A177 VanDerWaalsContact CZ-CB 3.41Å; Y165-A177 VanDerWaalsContact OH-CB 3.23Å; Y165-A177 WeakPolarHBondContact OH-CB 3.14Å; T173-A177 PolarHBondContact O-N 3.31Å; T173-A177 VanDerWaalsContact O-N 3.16Å; A177-L181 WeakPolarHBondContact O-CB 3.32Å; A177-L181 PolarHBondContact O-N 2.95Å
178	A	97.5	Very high	97.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68.4	-34.6	172.8	0	0	0	0	0	113.6	I118 T129 I130 I133 A174 H176 Q182	I118-A178 HydrophobicContact CD1-CB 3.97Å; I118-A178 HydrophobicContact CG1-CB 4.45Å; T129-A178 HydrophobicContact CG2-CB 3.85Å; I130-A178 HydrophobicContact CG1-CB 3.98Å; I133-A178 HydrophobicContact CD1-CB 4.3Å; A174-A178 VanDerWaalsContact O-CB 3.24Å; A174-A178 WeakPolarHBondContact O-CB 3.39Å; A174-A178 PolarHBondContact O-N 2.87Å; H176-A178 PolarHBondContact O-N 3.12Å; A178-Q182 VanDerWaalsContact O-CB 3.32Å; A178-Q182 WeakPolarHBondContact O-CB 3.44Å; A178-Q182 PolarHBondContact O-N 3.43Å; A178-Q182 VanDerWaalsContact O-N 3.08Å
179	D	98.2	Very high	97.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69	-41.9	173.8	-164	81.7	0	0	0	111.4	I118 L175 H176 Q182 A183 R331 W339	I118-D179 HydrophobicContact CB-CB 4.47Å; I118-D179 HydrophobicContact CG1-CB 4.18Å; I118-D179 HydrophobicContact CG2-CB 4.25Å; I118-D179 VanDerWaalsContact CG2-OD1 3.22Å; I118-D179 WeakPolarHBondContact CG2-OD1 3.3Å; L175-D179 PolarHBondContact O-N 3.43Å; L175-D179 VanDerWaalsContact O-N 3.12Å; H176-D179 WeakPolarHBondContact O-CA 3.45Å; H176-D179 WeakPolarHBondContact O-CB 3.36Å; H176-D179 PolarHBondContact O-N 2.94Å; D179-Q182 PolarHBondContact O-N 3.17Å; D179-A183 WeakPolarHBondContact O-CB 3.46Å; D179-A183 PolarHBondContact O-N 2.89Å; D179-R331 PolarHBondContact O-NH2 3Å; D179-R331 VanDerWaalsContact O-NH2 3.1Å; D179-R331 IonicContact OD1-CZ 3.96Å; D179-R331 IonicContact OD1-NE 2.6Å; D179-R331 IonicContact OD1-NH2 3.38Å; D179-R331 PolarHBondContact OD1-NH2 2.76Å; D179-R331 IonicContact OD2-CZ 3.41Å; D179-R331 IonicContact OD2-NE 2.67Å; D179-R331 PolarHBondContact OD2-NE 3.45Å; D179-R331 IonicContact OD2-NH2 3.05Å; D179-R331 PolarHBondContact OD2-NH2 3.14Å; D179-W339 HydrophobicContact CB-CZ2 3.84Å
180	V	98.8	Very high	97.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.2	-44.8	176.4	178.4	0	0	0	0	111.2	H176 Q182 A183 V184 A209 L321	H176-V180 WeakPolarHBondContact NE2-CG2 3.33Å; H176-V180 WeakPolarHBondContact O-CG2 3.19Å; H176-V180 PolarHBondContact O-N 3.15Å; V180-Q182 VanDerWaalsContact C-N 3.28Å; V180-Q182 PolarHBondContact O-N 3.04Å; V180-A183 PolarHBondContact O-N 3.47Å; V180-V184 WeakPolarHBondContact O-CG2 3.47Å; V180-V184 PolarHBondContact O-N 3.46Å; V180-A209 HydrophobicContact CG1-CB 4.27Å; V180-L321 HydrophobicContact CG1-CD1 3.8Å
181	L	98.6	Very high	97.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-56.4	-42.4	172.4	177	61.3	0	0	0	112	I130 I133 I137 A177 H185 L206 A209 A210	I130-L181 HydrophobicContact CG2-CD2 4.34Å; I133-L181 HydrophobicContact CB-CD2 4.47Å; I133-L181 HydrophobicContact CG2-CD2 3.74Å; I133-L181 HydrophobicContact CG2-CG 3.95Å; I137-L181 HydrophobicContact CD1-CD1 4.46Å; I137-L181 HydrophobicContact CD1-CG 4.16Å; A177-L181 WeakPolarHBondContact O-CB 3.32Å; A177-L181 PolarHBondContact O-N 2.95Å; L181-H185 PolarHBondContact O-N 3.4Å; L181-H185 VanDerWaalsContact O-N 3.08Å; L181-L206 HydrophobicContact CD1-CB 3.97Å; L181-L206 HydrophobicContact CD1-CD2 3.6Å; L181-L206 HydrophobicContact CD1-CG 4.39Å; L181-L206 WeakPolarHBondContact CD1-O 3.39Å; L181-A209 HydrophobicContact CB-CB 4.3Å; L181-A209 HydrophobicContact CD1-CB 4.21Å; L181-A210 HydrophobicContact CD2-CB 4.38Å
182	Q	98	Very high	96.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.1	-39.3	176.7	-172.5	-82.8	-24.1	0	0	112.4	L111 N113 F116 A178 D179 V180 H185 C186	L111-Q182 HydrophobicContact CD1-CG 3.79Å; L111-Q182 PolarHBondContact O-NE2 3.14Å; N113-Q182 PolarHBondContact O-NE2 3.48Å; F116-Q182 HydrophobicContact CD1-CG 4Å; F116-Q182 HydrophobicContact CG-CG 4.44Å; A178-Q182 VanDerWaalsContact O-CB 3.32Å; A178-Q182 WeakPolarHBondContact O-CB 3.44Å; A178-Q182 PolarHBondContact O-N 3.43Å; A178-Q182 VanDerWaalsContact O-N 3.08Å; D179-Q182 PolarHBondContact O-N 3.17Å; V180-Q182 VanDerWaalsContact C-N 3.28Å; V180-Q182 PolarHBondContact O-N 3.04Å; Q182-H185 PolarHBondContact O-N 3.44Å; Q182-C186 PolarHBondContact NE2-SG 2.96Å; Q182-C186 PolarHBondContact O-N 3.27Å
183	A	98.5	Very high	96.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.7	-44.2	175.8	0	0	0	0	0	112.4	W114 D179 V180 H185 C186 F187	W114-A183 HydrophobicContact CH2-CB 3.99Å; W114-A183 HydrophobicContact CZ3-CB 3.82Å; D179-A183 WeakPolarHBondContact O-CB 3.46Å; D179-A183 PolarHBondContact O-N 2.89Å; V180-A183 PolarHBondContact O-N 3.47Å; A183-H185 VanDerWaalsContact C-N 3.3Å; A183-H185 PolarHBondContact O-N 3.25Å; A183-C186 WeakPolarHBondContact O-CB 3.47Å; A183-C186 PolarHBondContact O-N 2.9Å; A183-C186 VanDerWaalsContact O-N 3.11Å; A183-F187 WeakPolarHBondContact O-CD2 3.49Å; A183-F187 PolarHBondContact O-N 3.11Å
184	V	98.5	Very high	96.6	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-58.4	-43.8	173.2	169.8	0	0	0	0	110.4	V180 F187 I188 A209 L321 S324	V180-V184 WeakPolarHBondContact O-CG2 3.47Å; V180-V184 PolarHBondContact O-N 3.46Å; V184-F187 PolarHBondContact O-N 3.33Å; V184-I188 HydrophobicContact CG1-CD1 3.79Å; V184-I188 HydrophobicContact CG1-CG1 4.49Å; V184-I188 WeakPolarHBondContact O-CG1 3.42Å; V184-I188 PolarHBondContact O-N 2.88Å; V184-A209 HydrophobicContact CB-CB 4.33Å; V184-A209 HydrophobicContact CG2-CB 3.93Å; V184-L321 HydrophobicContact CG2-CD1 4.21Å; V184-S324 WeakPolarHBondContact CG2-OG 3.21Å; V184-S324 PolarHBondContact N-OG 3.48Å
185	H	98.3	Very high	96.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-38.4	174.4	162.2	79.1	0	0	0	113.2	S112 I137 E140 Y141 L181 Q182 A183 I188 S189	S112-H185 WeakPolarHBondContact CA-NE2 3.44Å; S112-H185 VanDerWaalsContact CB-NE2 3.34Å; S112-H185 WeakPolarHBondContact CB-NE2 3.46Å; S112-H185 PolarHBondContact N-NE2 3.22Å; I137-H185 HydrophobicContact CD1-CB 3.6Å; I137-H185 HydrophobicContact CG1-CB 4.1Å; I137-H185 HydrophobicContact CG2-CB 4.19Å; E140-H185 IonicContact OE2-CE1 3.33Å; E140-H185 PolarHBondContact OE2-CE1 3.37Å; E140-H185 IonicContact OE2-NE2 2.77Å; Y141-H185 AromaticContact CE2-ND1 3.69Å; Y141-H185 AromaticContact CZ-ND1 3.55Å; Y141-H185 PolarHBondContact OH-ND1 2.99Å; Y141-H185 VanDerWaalsContact OH-ND1 3.15Å; Y141-H185 PolarHBondContact OH-O 2.88Å; L181-H185 PolarHBondContact O-N 3.4Å; L181-H185 VanDerWaalsContact O-N 3.08Å; Q182-H185 PolarHBondContact O-N 3.44Å; A183-H185 VanDerWaalsContact C-N 3.3Å; A183-H185 PolarHBondContact O-N 3.25Å; H185-I188 PolarHBondContact O-N 3.47Å; H185-S189 VanDerWaalsContact O-CB 3.27Å; H185-S189 WeakPolarHBondContact O-CB 3.34Å; H185-S189 PolarHBondContact O-N 3Å; H185-S189 PolarHBondContact O-OG 2.67Å
186	C	98	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-45.3	171.4	-84.1	0	0	0	0	112.1	S112 W114 Q182 A183 R190 L400	S112-C186 PolarHBondContact O-SG 2.85Å; W114-C186 HydrophobicContact CE3-CB 3.92Å; W114-C186 HydrophobicContact CZ3-CB 4.25Å; Q182-C186 PolarHBondContact NE2-SG 2.96Å; Q182-C186 PolarHBondContact O-N 3.27Å; A183-C186 WeakPolarHBondContact O-CB 3.47Å; A183-C186 PolarHBondContact O-N 2.9Å; A183-C186 VanDerWaalsContact O-N 3.11Å; C186-R190 WeakPolarHBondContact O-CB 3.23Å; C186-R190 PolarHBondContact O-N 2.89Å; C186-R190 VanDerWaalsContact O-N 3.11Å; C186-L400 HydrophobicContact CB-CD2 4.17Å; C186-L400 WeakPolarHBondContact O-CD2 3.25Å
187	F	97.9	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-43.2	178.1	-68.7	-41.7	0	0	0	112.4	W114 A183 V184 S191 L193 C323 S324 L389 W392 L400 I404	W114-F187 HydrophobicContact CH2-CE1 4.39Å; W114-F187 AromaticContact CH2-CZ 3.92Å; W114-F187 HydrophobicContact CH2-CZ 3.92Å; W114-F187 HydrophobicContact CZ3-CE1 4.11Å; W114-F187 HydrophobicContact CZ3-CE2 4.48Å; W114-F187 AromaticContact CZ3-CZ 3.97Å; W114-F187 HydrophobicContact CZ3-CZ 3.97Å; A183-F187 WeakPolarHBondContact O-CD2 3.49Å; A183-F187 PolarHBondContact O-N 3.11Å; V184-F187 PolarHBondContact O-N 3.33Å; F187-S191 WeakPolarHBondContact O-CB 3.49Å; F187-S191 PolarHBondContact O-OG 3.01Å; F187-L193 HydrophobicContact CB-CD1 4.35Å; F187-C323 HydrophobicContact CE2-CB 3.85Å; F187-C323 HydrophobicContact CZ-CB 4.12Å; F187-S324 VanDerWaalsContact CD2-OG 3.28Å; F187-S324 WeakPolarHBondContact CD2-OG 3.38Å; F187-S324 VanDerWaalsContact CE2-OG 3.23Å; F187-S324 WeakPolarHBondContact CE2-OG 3.33Å; F187-L389 HydrophobicContact CZ-CD1 4.44Å; F187-W392 HydrophobicContact CB-CZ2 4.2Å; F187-W392 HydrophobicContact CD1-CZ2 4.46Å; F187-W392 AromaticContact CD1-NE1 3.23Å; F187-W392 HydrophobicContact CD2-CZ2 4.38Å; F187-W392 AromaticContact CD2-NE1 3.94Å; F187-W392 AromaticContact CE1-CD1 3.67Å; F187-W392 AromaticContact CE1-NE1 3.15Å; F187-W392 AromaticContact CE2-NE1 3.87Å; F187-W392 HydrophobicContact CG-CZ2 4.13Å; F187-W392 AromaticContact CG-NE1 3.66Å; F187-W392 AromaticContact CZ-CD1 3.89Å; F187-W392 AromaticContact CZ-NE1 3.5Å; F187-L400 HydrophobicContact CD1-CD2 4.05Å; F187-I404 HydrophobicContact CE1-CD1 3.46Å; F187-I404 VanDerWaalsContact CE1-CD1 3.46Å; F187-I404 HydrophobicContact CZ-CD1 4Å
188	I	97.6	Very high	96.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-69	-52.2	178.7	-63.6	169.3	0	0	0	111	Y141 V184 H185 R190 L194 L197 I202	Y141-I188 HydrophobicContact CE1-CG2 4.04Å; Y141-I188 HydrophobicContact CE2-CG2 4.38Å; Y141-I188 WeakPolarHBondContact OH-CB 3.38Å; Y141-I188 WeakPolarHBondContact OH-CG2 3.25Å; V184-I188 HydrophobicContact CG1-CD1 3.79Å; V184-I188 HydrophobicContact CG1-CG1 4.49Å; V184-I188 WeakPolarHBondContact O-CG1 3.42Å; V184-I188 PolarHBondContact O-N 2.88Å; H185-I188 PolarHBondContact O-N 3.47Å; I188-R190 PolarHBondContact O-N 2.9Å; I188-L194 HydrophobicContact CG2-CD1 4.27Å; I188-L197 HydrophobicContact CD1-CD1 4.41Å; I188-L197 HydrophobicContact CG1-CD1 4.29Å; I188-I202 HydrophobicContact CD1-CG2 4.35Å; I188-I202 HydrophobicContact CG2-CD1 4.22Å; I188-I202 HydrophobicContact CG2-CG1 4.25Å
189	S	95.2	Very high	96.3	Very high	32 Å²	32	29.7 Å²	29.7	22%	0.224	16%	0.16	C	C	.	.	H	α-helix	trans	-72.6	-20.7	-172.3	61.9	0	0	0	0	115.2	S112 Y141 H185	S112-S189 WeakPolarHBondContact CB-OG 3.36Å; Y141-S189 WeakPolarHBondContact OH-CB 3.38Å; Y141-S189 PolarHBondContact OH-N 2.93Å; H185-S189 VanDerWaalsContact O-CB 3.27Å; H185-S189 WeakPolarHBondContact O-CB 3.34Å; H185-S189 PolarHBondContact O-N 3Å; H185-S189 PolarHBondContact O-OG 2.67Å
190	R	89.3	Confident	96.3	Very high	131 Å²	131	30.9 Å²	30.9	49%	0.494	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	24.3	-176	-54.3	-57.9	-176.1	100.3	-1.2	113.5	S112 C186 I188 L400	S112-R190 VanDerWaalsContact O-CZ 3.25Å; S112-R190 PolarHBondContact O-NE 3.09Å; S112-R190 PolarHBondContact O-NH2 3.46Å; S112-R190 PolarHBondContact OG-NH2 3.31Å; C186-R190 WeakPolarHBondContact O-CB 3.23Å; C186-R190 PolarHBondContact O-N 2.89Å; C186-R190 VanDerWaalsContact O-N 3.11Å; I188-R190 PolarHBondContact O-N 2.9Å; R190-L400 HydrophobicContact CB-CD2 3.91Å
191	S	91.2	Very high	96.2	Very high	22 Å²	22	31 Å²	31	15%	0.154	17%	0.168	C	C	.	.	S	Bend	trans	-150	179.1	177.4	78.5	0	0	0	0	112.7	F187 L193 N398	F187-S191 WeakPolarHBondContact O-CB 3.49Å; F187-S191 PolarHBondContact O-OG 3.01Å; S191-L193 PolarHBondContact O-N 3.39Å; S191-L193 VanDerWaalsContact O-N 3.13Å; S191-L193 WeakPolarHBondContact OG-CB 3.36Å; S191-L193 VanDerWaalsContact OG-CG 3.25Å; S191-L193 WeakPolarHBondContact OG-CG 3.49Å; S191-L193 PolarHBondContact OG-N 3.33Å; S191-L193 VanDerWaalsContact OG-N 3.15Å; S191-N398 WeakPolarHBondContact CB-ND2 3.47Å
192	Q	92.6	Very high	96.2	Very high	91 Å²	91	31.3 Å²	31.3	43%	0.425	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.5	171.6	62.4	-175.2	10.3	0	0	114.5	L194 T195 I196 L396	Q192-L194 PolarHBondContact O-N 3.35Å; Q192-T195 PolarHBondContact O-N 2.84Å; Q192-T195 PolarHBondContact O-OG1 3.28Å; Q192-I196 HydrophobicContact CB-CD1 4.28Å; Q192-I196 HydrophobicContact CG-CD1 3.82Å; Q192-I196 WeakPolarHBondContact O-CG1 3.26Å; Q192-I196 PolarHBondContact O-N 2.82Å; Q192-L396 HydrophobicContact CG-CD2 4.23Å
193	L	95.5	Very high	96.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-32.2	179.5	-66.9	-176.7	0	0	0	113.2	F187 S191 T195 I196 L197 I316 W392 F395 L396	F187-L193 HydrophobicContact CB-CD1 4.35Å; S191-L193 PolarHBondContact O-N 3.39Å; S191-L193 VanDerWaalsContact O-N 3.13Å; S191-L193 WeakPolarHBondContact OG-CB 3.36Å; S191-L193 VanDerWaalsContact OG-CG 3.25Å; S191-L193 WeakPolarHBondContact OG-CG 3.49Å; S191-L193 PolarHBondContact OG-N 3.33Å; S191-L193 VanDerWaalsContact OG-N 3.15Å; L193-T195 PolarHBondContact O-N 3.34Å; L193-I196 HydrophobicContact CD2-CD1 4.39Å; L193-I196 PolarHBondContact O-N 3.49Å; L193-I196 VanDerWaalsContact O-N 3.15Å; L193-L197 HydrophobicContact CB-CD1 4.33Å; L193-L197 WeakPolarHBondContact O-CB 3.33Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 2.99Å; L193-I316 HydrophobicContact CD2-CG2 3.25Å; L193-W392 HydrophobicContact CD1-CH2 3.95Å; L193-W392 HydrophobicContact CD1-CZ2 3.91Å; L193-F395 HydrophobicContact CD2-CE1 4.2Å; L193-L396 HydrophobicContact CD2-CD2 4.4Å; L193-L396 HydrophobicContact CG-CD2 4.2Å
194	L	94	Very high	96.2	Very high	85 Å²	85	31.3 Å²	31.3	45%	0.445	17%	0.169	S	C	.	.	H	α-helix	trans	-64.7	-22.5	176.2	-172.3	60.6	0	0	0	113.5	Y141 I188 Q192 I202	Y141-L194 HydrophobicContact CD1-CD1 3.9Å; Y141-L194 HydrophobicContact CE1-CD1 3.83Å; I188-L194 HydrophobicContact CG2-CD1 4.27Å; Q192-L194 PolarHBondContact O-N 3.35Å; L194-I202 HydrophobicContact CD1-CD1 3.92Å
195	T	93.8	Very high	96.2	Very high	125 Å²	125	31.6 Å²	31.6	77%	0.767	17%	0.171	S	C	*	.	H	α-helix	trans	-94.5	-16.6	174.7	64.6	0	0	0	0	113	Q192 L193	Q192-T195 PolarHBondContact O-N 2.84Å; Q192-T195 PolarHBondContact O-OG1 3.28Å; L193-T195 PolarHBondContact O-N 3.34Å
196	I	95.4	Very high	96.2	Very high	30 Å²	30	31.7 Å²	31.7	15%	0.154	17%	0.172	C	C	.	.	H	α-helix	trans	-90.6	-42.2	-179	-65.7	164.8	0	0	0	110.8	Q192 L193 F308 R313	Q192-I196 HydrophobicContact CB-CD1 4.28Å; Q192-I196 HydrophobicContact CG-CD1 3.82Å; Q192-I196 WeakPolarHBondContact O-CG1 3.26Å; Q192-I196 PolarHBondContact O-N 2.82Å; L193-I196 HydrophobicContact CD2-CD1 4.39Å; L193-I196 PolarHBondContact O-N 3.49Å; L193-I196 VanDerWaalsContact O-N 3.15Å; I196-F308 HydrophobicContact CB-CD2 4.5Å; I196-F308 HydrophobicContact CD1-CD2 3.83Å; I196-F308 HydrophobicContact CD1-CE2 3.48Å; I196-F308 VanDerWaalsContact CD1-CE2 3.48Å; I196-F308 HydrophobicContact CD1-CZ 4.24Å; I196-F308 HydrophobicContact CG1-CD2 3.86Å; I196-F308 HydrophobicContact CG1-CE2 3.97Å; I196-F308 HydrophobicContact CG2-CB 4.18Å; I196-F308 HydrophobicContact CG2-CD2 3.81Å; I196-F308 HydrophobicContact CG2-CG 4.14Å; I196-R313 HydrophobicContact CG2-CG 3.73Å; I196-R313 WeakPolarHBondContact O-CD 3.22Å
197	L	97.6	Very high	96.3	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.063	17%	0.172	C	C	.	.	S	Bend	trans	-91	135.6	-172.9	-57.8	177.5	0	0	0	112.2	I188 L193 E201 I202 R313 M317	I188-L197 HydrophobicContact CD1-CD1 4.41Å; I188-L197 HydrophobicContact CG1-CD1 4.29Å; L193-L197 HydrophobicContact CB-CD1 4.33Å; L193-L197 WeakPolarHBondContact O-CB 3.33Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 2.99Å; L197-E201 HydrophobicContact CB-CB 4.23Å; L197-E201 HydrophobicContact CD2-CB 4.41Å; L197-I202 HydrophobicContact CB-CD1 4.4Å; L197-I202 HydrophobicContact CB-CG1 3.84Å; L197-I202 HydrophobicContact CD1-CG1 4.45Å; L197-R313 HydrophobicContact CD2-CB 4.06Å; L197-R313 HydrophobicContact CD2-CG 4.43Å; L197-M317 HydrophobicContact CD1-CG 4.04Å; L197-M317 HydrophobicContact CD2-CG 3.74Å; L197-M317 HydrophobicContact CD2-SD 4.16Å
198	S	97.2	Very high	96.3	Very high	41 Å²	41	31.8 Å²	31.8	29%	0.287	17%	0.172	S	C	.	.			trans	-69.9	161.7	171	66.2	0	0	0	0	112.4	T200 E201 I202	S198-T200 PolarHBondContact O-N 3.34Å; S198-E201 WeakPolarHBondContact CB-OE2 3.26Å; S198-E201 PolarHBondContact N-OE2 2.84Å; S198-E201 PolarHBondContact O-N 3.14Å; S198-E201 VanDerWaalsContact O-N 3.15Å; S198-E201 WeakPolarHBondContact OG-CB 3.23Å; S198-E201 WeakPolarHBondContact OG-CG 3.44Å; S198-E201 PolarHBondContact OG-N 3.46Å; S198-E201 PolarHBondContact OG-OE2 3.34Å; S198-I202 WeakPolarHBondContact O-CG1 3.46Å; S198-I202 PolarHBondContact O-N 2.92Å
199	P	97.5	Very high	96.4	Very high	48 Å²	48	31.7 Å²	31.7	31%	0.312	17%	0.172	S	C	.	.	H	α-helix	trans	-55.7	-37.1	175.9	-26.3	36.2	0	0	0	113.4	L143 K146 L147 F203	L143-P199 HydrophobicContact CD2-CB 3.89Å; L143-P199 WeakPolarHBondContact CD2-O 3.39Å; K146-P199 HydrophobicContact CB-CB 4.16Å; K146-P199 HydrophobicContact CB-CG 4.45Å; K146-P199 HydrophobicContact CD-CB 4.04Å; K146-P199 HydrophobicContact CD-CG 3.84Å; L147-P199 HydrophobicContact CD2-CB 4.38Å; P199-F203 WeakPolarHBondContact O-CB 3.31Å; P199-F203 PolarHBondContact O-N 3.45Å
200	T	97.8	Very high	96.5	Very high	24 Å²	24	30.1 Å²	30.1	15%	0.147	16%	0.161	C	C	.	.	H	α-helix	trans	-71.3	-37	178.9	-40.1	0	0	0	0	112.1	L147 S198 F203 A204 E266 F269 V270	L147-T200 WeakPolarHBondContact CD2-OG1 3.4Å; S198-T200 PolarHBondContact O-N 3.34Å; T200-F203 PolarHBondContact O-N 3.41Å; T200-A204 WeakPolarHBondContact O-CB 3.49Å; T200-A204 PolarHBondContact O-N 2.91Å; T200-E266 HydrophobicContact CG2-CB 4.43Å; T200-F269 HydrophobicContact CG2-CD1 3.85Å; T200-F269 HydrophobicContact CG2-CE1 4.46Å; T200-V270 HydrophobicContact CG2-CG2 3.63Å
201	E	98.2	Very high	97	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-67.4	-42.4	173.3	-76.4	165.5	157.7	0	0	111.9	L197 S198 A204 S205 F269 R313 M317	L197-E201 HydrophobicContact CB-CB 4.23Å; L197-E201 HydrophobicContact CD2-CB 4.41Å; S198-E201 WeakPolarHBondContact CB-OE2 3.26Å; S198-E201 PolarHBondContact N-OE2 2.84Å; S198-E201 PolarHBondContact O-N 3.14Å; S198-E201 VanDerWaalsContact O-N 3.15Å; S198-E201 WeakPolarHBondContact OG-CB 3.23Å; S198-E201 WeakPolarHBondContact OG-CG 3.44Å; S198-E201 PolarHBondContact OG-N 3.46Å; S198-E201 PolarHBondContact OG-OE2 3.34Å; E201-A204 PolarHBondContact O-N 2.88Å; E201-S205 WeakPolarHBondContact O-CB 3.27Å; E201-S205 PolarHBondContact O-N 2.95Å; E201-S205 PolarHBondContact O-OG 3.49Å; E201-F269 HydrophobicContact CG-CE1 3.55Å; E201-F269 HydrophobicContact CG-CZ 3.56Å; E201-R313 IonicContact OE1-CZ 3.24Å; E201-R313 VanDerWaalsContact OE1-CZ 3.24Å; E201-R313 IonicContact OE1-NE 2.86Å; E201-R313 PolarHBondContact OE1-NE 3.49Å; E201-R313 IonicContact OE1-NH2 2.75Å; E201-R313 PolarHBondContact OE1-NH2 3.34Å; E201-R313 IonicContact OE2-CZ 3.9Å; E201-R313 IonicContact OE2-NE 3.11Å; E201-R313 PolarHBondContact OE2-NE 3.24Å; E201-R313 VanDerWaalsContact OE2-NE 3.11Å; E201-R313 IonicContact OE2-NH2 3.78Å; E201-M317 HydrophobicContact CB-CE 4.18Å; E201-M317 HydrophobicContact CB-SD 3.58Å; E201-M317 VanDerWaalsContact CB-SD 3.58Å; E201-M317 HydrophobicContact CG-CE 3.95Å; E201-M317 HydrophobicContact CG-SD 4.05Å; E201-M317 VanDerWaalsContact O-SD 3.38Å
202	I	98.3	Very high	97.3	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-60.8	-47.3	172.1	-65.9	169.9	0	0	0	109.9	Y141 L143 I188 L194 L197 S198 A204 S205 L206	Y141-I202 HydrophobicContact CD2-CG2 3.59Å; Y141-I202 HydrophobicContact CE2-CG2 3.85Å; Y141-I202 HydrophobicContact CG-CG2 4.13Å; L143-I202 HydrophobicContact CD1-CG2 4.25Å; I188-I202 HydrophobicContact CD1-CG2 4.35Å; I188-I202 HydrophobicContact CG2-CD1 4.22Å; I188-I202 HydrophobicContact CG2-CG1 4.25Å; L194-I202 HydrophobicContact CD1-CD1 3.92Å; L197-I202 HydrophobicContact CB-CD1 4.4Å; L197-I202 HydrophobicContact CB-CG1 3.84Å; L197-I202 HydrophobicContact CD1-CG1 4.45Å; S198-I202 WeakPolarHBondContact O-CG1 3.46Å; S198-I202 PolarHBondContact O-N 2.92Å; I202-A204 PolarHBondContact O-N 3.2Å; I202-S205 WeakPolarHBondContact O-CB 3.45Å; I202-S205 PolarHBondContact O-N 2.95Å; I202-L206 HydrophobicContact CG2-CD1 3.99Å; I202-L206 HydrophobicContact CG2-CG 4.44Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.38Å; I202-L206 PolarHBondContact O-N 3.3Å
203	F	98.4	Very high	97.6	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-46.6	178.7	-177.7	-120.6	0	0	0	112.6	M138 L143 L147 L149 M154 P199 T200 S205 L206 L207 L258 L262 V270	M138-F203 HydrophobicContact CE-CD2 3.91Å; M138-F203 HydrophobicContact CE-CE2 3.51Å; M138-F203 HydrophobicContact CE-CZ 4.5Å; M138-F203 HydrophobicContact SD-CE2 4.06Å; L143-F203 HydrophobicContact CD1-CB 4.12Å; L143-F203 HydrophobicContact CD1-CD2 4.22Å; L147-F203 HydrophobicContact CD1-CB 3.54Å; L147-F203 HydrophobicContact CD1-CD1 3.79Å; L147-F203 HydrophobicContact CD1-CD2 4.36Å; L147-F203 HydrophobicContact CD1-CG 3.64Å; L149-F203 HydrophobicContact CD1-CD1 4.5Å; L149-F203 HydrophobicContact CD1-CD2 4.15Å; L149-F203 HydrophobicContact CD1-CE1 4.04Å; L149-F203 HydrophobicContact CD1-CE2 3.66Å; L149-F203 HydrophobicContact CD1-CZ 3.58Å; M154-F203 HydrophobicContact CE-CE2 3.87Å; M154-F203 HydrophobicContact CE-CZ 4.03Å; M154-F203 HydrophobicContact SD-CE2 4.27Å; M154-F203 HydrophobicContact SD-CZ 4.09Å; P199-F203 WeakPolarHBondContact O-CB 3.31Å; P199-F203 PolarHBondContact O-N 3.45Å; T200-F203 PolarHBondContact O-N 3.41Å; F203-S205 VanDerWaalsContact C-N 3.31Å; F203-S205 PolarHBondContact O-N 3Å; F203-L206 PolarHBondContact O-N 3.23Å; F203-L207 HydrophobicContact CD1-CD1 4.13Å; F203-L207 HydrophobicContact CD2-CG 4.42Å; F203-L207 HydrophobicContact CE1-CD1 3.58Å; F203-L207 HydrophobicContact CE1-CG 4.35Å; F203-L207 HydrophobicContact CE2-CD1 4.13Å; F203-L207 HydrophobicContact CE2-CD2 4.19Å; F203-L207 HydrophobicContact CE2-CG 4.05Å; F203-L207 HydrophobicContact CZ-CD1 3.59Å; F203-L207 HydrophobicContact CZ-CD2 4.24Å; F203-L207 HydrophobicContact CZ-CG 4.03Å; F203-L207 WeakPolarHBondContact O-CG 3.39Å; F203-L207 PolarHBondContact O-N 2.78Å; F203-L258 HydrophobicContact CE1-CD1 4.07Å; F203-L258 HydrophobicContact CE1-CD2 3.99Å; F203-L258 HydrophobicContact CZ-CD1 3.9Å; F203-L258 HydrophobicContact CZ-CD2 3.95Å; F203-L262 HydrophobicContact CE1-CD1 4.17Å; F203-V270 HydrophobicContact CD1-CG2 4.07Å
204	A	98.4	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-40.1	175.6	0	0	0	0	0	112.2	T200 E201 I202 L207 A208 V270 C273 L277	T200-A204 WeakPolarHBondContact O-CB 3.49Å; T200-A204 PolarHBondContact O-N 2.91Å; E201-A204 PolarHBondContact O-N 2.88Å; I202-A204 PolarHBondContact O-N 3.2Å; A204-L207 PolarHBondContact O-N 2.65Å; A204-A208 VanDerWaalsContact O-CB 3.32Å; A204-A208 WeakPolarHBondContact O-CB 3.26Å; A204-A208 PolarHBondContact O-N 2.94Å; A204-V270 HydrophobicContact CB-CG1 4.46Å; A204-V270 HydrophobicContact CB-CG2 4.47Å; A204-C273 HydrophobicContact CB-CB 3.8Å; A204-L277 HydrophobicContact CB-CD1 4.46Å
205	S	98.6	Very high	97.8	Very high	7 Å²	7	16.4 Å²	16.4	5%	0.049	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-42	176	-60.7	0	0	0	0	112.7	E201 I202 F203 A209 M317	E201-S205 WeakPolarHBondContact O-CB 3.27Å; E201-S205 PolarHBondContact O-N 2.95Å; E201-S205 PolarHBondContact O-OG 3.49Å; I202-S205 WeakPolarHBondContact O-CB 3.45Å; I202-S205 PolarHBondContact O-N 2.95Å; F203-S205 VanDerWaalsContact C-N 3.31Å; F203-S205 PolarHBondContact O-N 3Å; S205-A209 WeakPolarHBondContact O-CB 3.38Å; S205-A209 PolarHBondContact O-N 3.27Å; S205-M317 WeakPolarHBondContact OG-CG 3.42Å; S205-M317 PolarHBondContact OG-SD 3.38Å
206	L	98.6	Very high	98	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-68.9	-40.9	177.9	-64.9	170.3	0	0	0	112	I137 Y141 L143 L181 I202 F203 A209 A210	I137-L206 HydrophobicContact CG2-CD1 3.65Å; I137-L206 HydrophobicContact CG2-CD2 3.74Å; I137-L206 HydrophobicContact CG2-CG 4.36Å; Y141-L206 HydrophobicContact CD2-CD1 4.08Å; Y141-L206 HydrophobicContact CE2-CD1 4.31Å; L143-L206 HydrophobicContact CD1-CD1 3.87Å; L181-L206 HydrophobicContact CD1-CB 3.97Å; L181-L206 HydrophobicContact CD1-CD2 3.6Å; L181-L206 HydrophobicContact CD1-CG 4.39Å; L181-L206 WeakPolarHBondContact CD1-O 3.39Å; I202-L206 HydrophobicContact CG2-CD1 3.99Å; I202-L206 HydrophobicContact CG2-CG 4.44Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.38Å; I202-L206 PolarHBondContact O-N 3.3Å; F203-L206 PolarHBondContact O-N 3.23Å; L206-A209 PolarHBondContact O-N 2.98Å; L206-A210 WeakPolarHBondContact O-CB 3.25Å; L206-A210 PolarHBondContact O-N 2.81Å
207	L	98.6	Very high	98.1	Very high	1 Å²	1	11 Å²	11	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-63.5	-45.9	174	-70.8	-177.6	0	0	0	111.6	M154 F203 A204 A209 A210 L211 L253 L258 V270 F274	M154-L207 HydrophobicContact CE-CD2 4.28Å; F203-L207 HydrophobicContact CD1-CD1 4.13Å; F203-L207 HydrophobicContact CD2-CG 4.42Å; F203-L207 HydrophobicContact CE1-CD1 3.58Å; F203-L207 HydrophobicContact CE1-CG 4.35Å; F203-L207 HydrophobicContact CE2-CD1 4.13Å; F203-L207 HydrophobicContact CE2-CD2 4.19Å; F203-L207 HydrophobicContact CE2-CG 4.05Å; F203-L207 HydrophobicContact CZ-CD1 3.59Å; F203-L207 HydrophobicContact CZ-CD2 4.24Å; F203-L207 HydrophobicContact CZ-CG 4.03Å; F203-L207 WeakPolarHBondContact O-CG 3.39Å; F203-L207 PolarHBondContact O-N 2.78Å; A204-L207 PolarHBondContact O-N 2.65Å; L207-A209 PolarHBondContact O-N 3.26Å; L207-A210 PolarHBondContact O-N 3.33Å; L207-L211 WeakPolarHBondContact O-CB 3.13Å; L207-L211 PolarHBondContact O-N 3.13Å; L207-L211 VanDerWaalsContact O-N 3.08Å; L207-L253 HydrophobicContact CD1-CD1 4.1Å; L207-L253 HydrophobicContact CD1-CD2 4.2Å; L207-L253 HydrophobicContact CD2-CD2 3.99Å; L207-L258 HydrophobicContact CD1-CD2 3.66Å; L207-V270 HydrophobicContact CD1-CG1 4.05Å; L207-F274 HydrophobicContact CB-CD2 4.2Å; L207-F274 HydrophobicContact CB-CE2 4.12Å
208	A	98.8	Very high	98	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.8	-47.6	177.1	0	0	0	0	0	111	A204 A210 L211 H212 F274 L277 I278 L321	A204-A208 VanDerWaalsContact O-CB 3.32Å; A204-A208 WeakPolarHBondContact O-CB 3.26Å; A204-A208 PolarHBondContact O-N 2.94Å; A208-A210 VanDerWaalsContact C-N 3.32Å; A208-A210 PolarHBondContact O-N 3.24Å; A208-L211 CarbonylContact O-C 3.36Å; A208-L211 PolarHBondContact O-N 3.22Å; A208-L211 VanDerWaalsContact O-N 3.14Å; A208-H212 WeakPolarHBondContact O-CA 3.49Å; A208-H212 WeakPolarHBondContact O-CB 3.21Å; A208-H212 PolarHBondContact O-N 3.46Å; A208-F274 HydrophobicContact CB-CD2 4.27Å; A208-L277 HydrophobicContact CB-CB 3.74Å; A208-L277 HydrophobicContact CB-CD1 3.85Å; A208-L277 HydrophobicContact CB-CG 4.43Å; A208-I278 HydrophobicContact CB-CG1 4.08Å; A208-L321 HydrophobicContact CB-CD2 4.06Å
209	A	98.8	Very high	98	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.7	-40.2	176.6	0	0	0	0	0	113.3	V180 L181 V184 S205 L206 L207 L211 H212 L321	V180-A209 HydrophobicContact CG1-CB 4.27Å; L181-A209 HydrophobicContact CB-CB 4.3Å; L181-A209 HydrophobicContact CD1-CB 4.21Å; V184-A209 HydrophobicContact CB-CB 4.33Å; V184-A209 HydrophobicContact CG2-CB 3.93Å; S205-A209 WeakPolarHBondContact O-CB 3.38Å; S205-A209 PolarHBondContact O-N 3.27Å; L206-A209 PolarHBondContact O-N 2.98Å; L207-A209 PolarHBondContact O-N 3.26Å; A209-L211 VanDerWaalsContact C-N 3.33Å; A209-L211 PolarHBondContact O-N 2.97Å; A209-H212 PolarHBondContact O-ND1 3.28Å; A209-L321 HydrophobicContact CB-CD1 3.95Å
210	A	98.6	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-71.2	-24.7	178.4	0	0	0	0	0	113.7	I130 I161 Y165 L181 L206 L207 A208	I130-A210 HydrophobicContact CG2-CB 4.07Å; I161-A210 HydrophobicContact CD1-CB 4.34Å; I161-A210 HydrophobicContact CG2-CB 4.16Å; I161-A210 WeakPolarHBondContact CG2-O 3.46Å; Y165-A210 WeakPolarHBondContact CE2-O 3.45Å; Y165-A210 PolarHBondContact OH-O 3.37Å; L181-A210 HydrophobicContact CD2-CB 4.38Å; L206-A210 WeakPolarHBondContact O-CB 3.25Å; L206-A210 PolarHBondContact O-N 2.81Å; L207-A210 PolarHBondContact O-N 3.33Å; A208-A210 VanDerWaalsContact C-N 3.32Å; A208-A210 PolarHBondContact O-N 3.24Å
211	L	98.6	Very high	97.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-114.7	-3.1	-172.4	-82.7	162.8	0	0	0	115.3	I161 L207 A208 A209 D213 A214 I252 L253 F274 I278	I161-L211 HydrophobicContact CB-CD2 4.34Å; I161-L211 HydrophobicContact CD1-CD1 3.82Å; I161-L211 HydrophobicContact CD1-CD2 4.43Å; I161-L211 HydrophobicContact CD1-CG 3.91Å; I161-L211 HydrophobicContact CG1-CD1 4.01Å; I161-L211 HydrophobicContact CG1-CD2 3.8Å; I161-L211 HydrophobicContact CG1-CG 3.85Å; I161-L211 HydrophobicContact CG2-CD2 3.96Å; I161-L211 HydrophobicContact CG2-CG 4.03Å; L207-L211 WeakPolarHBondContact O-CB 3.13Å; L207-L211 PolarHBondContact O-N 3.13Å; L207-L211 VanDerWaalsContact O-N 3.08Å; A208-L211 CarbonylContact O-C 3.36Å; A208-L211 PolarHBondContact O-N 3.22Å; A208-L211 VanDerWaalsContact O-N 3.14Å; A209-L211 VanDerWaalsContact C-N 3.33Å; A209-L211 PolarHBondContact O-N 2.97Å; L211-D213 PolarHBondContact O-N 3.06Å; L211-A214 HydrophobicContact CD2-CB 3.58Å; L211-A214 WeakPolarHBondContact O-CB 3.32Å; L211-A214 PolarHBondContact O-N 3.41Å; L211-I252 HydrophobicContact CD2-CD1 4.04Å; L211-L253 HydrophobicContact CD1-CD1 4.07Å; L211-L253 HydrophobicContact CD1-CD2 4.02Å; L211-L253 HydrophobicContact CD1-CG 3.98Å; L211-F274 HydrophobicContact CB-CE2 3.93Å; L211-F274 HydrophobicContact CB-CZ 3.62Å; L211-F274 HydrophobicContact CD1-CE2 3.78Å; L211-F274 HydrophobicContact CD1-CZ 3.55Å; L211-F274 HydrophobicContact CG-CE2 4.49Å; L211-F274 HydrophobicContact CG-CZ 4.18Å; L211-I278 HydrophobicContact CB-CD1 4.26Å
212	H	98.7	Very high	97.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.4	-170.5	73.6	-70.8	0	0	0	115.6	H176 A208 A209 H245 I278 T281	H176-H212 AromaticContact CD2-NE2 3.9Å; A208-H212 WeakPolarHBondContact O-CA 3.49Å; A208-H212 WeakPolarHBondContact O-CB 3.21Å; A208-H212 PolarHBondContact O-N 3.46Å; A209-H212 PolarHBondContact O-ND1 3.28Å; H212-H245 WeakPolarHBondContact O-CB 3.47Å; H212-H245 PolarHBondContact O-CD2 2.9Å; H212-I278 HydrophobicContact CB-CG1 4.2Å; H212-I278 HydrophobicContact CB-CG2 4.39Å; H212-T281 HydrophobicContact CB-CG2 4.16Å
213	D	98.6	Very high	97.4	Very high	12 Å²	12	12.1 Å²	12.1	6%	0.064	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	19.4	178.9	-79.6	-22.5	0	0	0	112.8	Y165 H172 H176 L211 D215 H216	Y165-D213 HydrophobicContact CE1-CB 3.66Å; Y165-D213 WeakPolarHBondContact CE1-O 3.39Å; Y165-D213 PolarHBondContact OH-N 3.23Å; H172-D213 IonicContact CD2-OD2 3.97Å; H172-D213 PolarHBondContact CD2-OD2 3.28Å; H172-D213 VanDerWaalsContact CD2-OD2 3.3Å; H176-D213 IonicContact CD2-OD2 3.07Å; H176-D213 PolarHBondContact CD2-OD2 2.96Å; L211-D213 PolarHBondContact O-N 3.06Å; D213-D215 PolarHBondContact O-N 2.76Å; D213-H216 HydrophobicContact CB-CB 4.42Å; D213-H216 VanDerWaalsContact O-CB 3.26Å; D213-H216 WeakPolarHBondContact O-CB 3.48Å; D213-H216 PolarHBondContact O-N 3.22Å; D213-H216 VanDerWaalsContact O-N 3.08Å
214	A	97.2	Very high	97.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	131.3	-176.1	0	0	0	0	0	111.5	A164 Y165 L211 H216 H245 F248	A164-A214 HydrophobicContact CB-CB 4.18Å; Y165-A214 PolarHBondContact OH-N 3.22Å; L211-A214 HydrophobicContact CD2-CB 3.58Å; L211-A214 WeakPolarHBondContact O-CB 3.32Å; L211-A214 PolarHBondContact O-N 3.41Å; A214-H216 VanDerWaalsContact C-N 3.31Å; A214-H216 PolarHBondContact O-N 2.75Å; A214-H245 PolarHBondContact O-ND1 3.44Å; A214-F248 HydrophobicContact CB-CD1 4.16Å
215	D	97.2	Very high	97.1	Very high	29 Å²	29	16.1 Å²	16.1	16%	0.155	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	20.1	-173.1	-159.4	48	0	0	0	115.3	A164 H166 D213 H244 F248	A164-D215 WeakPolarHBondContact O-CA 3.43Å; A164-D215 PolarHBondContact O-N 3.1Å; H166-D215 IonicContact CE1-OD1 3.76Å; H166-D215 PolarHBondContact CE1-OD1 3.02Å; H166-D215 IonicContact NE2-OD1 3.71Å; H166-D215 PolarHBondContact NE2-OD1 3.06Å; D213-D215 PolarHBondContact O-N 2.76Å; D215-H244 IonicContact OD2-CD2 2.82Å; D215-H244 IonicContact OD2-CE1 2.78Å; D215-H244 IonicContact OD2-NE2 2.85Å; D215-H244 PolarHBondContact OD2-NE2 3.14Å; D215-F248 HydrophobicContact CB-CD1 3.76Å; D215-F248 HydrophobicContact CB-CD2 4.44Å; D215-F248 HydrophobicContact CB-CE1 3.76Å; D215-F248 HydrophobicContact CB-CE2 4.44Å; D215-F248 HydrophobicContact CB-CG 4.11Å; D215-F248 HydrophobicContact CB-CZ 4.11Å
216	H	97.9	Very high	96.8	Very high	9 Å²	9	20 Å²	20	4%	0.042	10%	0.103	C	C	.	.			trans	-56.2	127.6	178.2	-170.7	-89.3	0	0	0	113	H166 N169 H172 D213 A214 G218 H245 E346	H166-H216 PolarHBondContact ND1-O 2.88Å; N169-H216 PolarHBondContact ND2-O 3.24Å; H172-H216 HydrophobicContact CB-CB 3.89Å; H172-H216 VanDerWaalsContact CB-ND1 3.32Å; H172-H216 WeakPolarHBondContact CB-ND1 3.2Å; H172-H216 AromaticContact CE1-CE1 3.67Å; H172-H216 AromaticContact CG-CE1 3.57Å; H172-H216 AromaticContact CG-CG 3.84Å; H172-H216 AromaticContact CG-ND1 3.43Å; H172-H216 AromaticContact ND1-CE1 3.2Å; H172-H216 PolarHBondContact ND1-CE1 2.9Å; H172-H216 AromaticContact ND1-ND1 3.44Å; H172-H216 PolarHBondContact ND1-ND1 3.18Å; H172-H216 AromaticContact ND1-NE2 3.89Å; D213-H216 HydrophobicContact CB-CB 4.42Å; D213-H216 VanDerWaalsContact O-CB 3.26Å; D213-H216 WeakPolarHBondContact O-CB 3.48Å; D213-H216 PolarHBondContact O-N 3.22Å; D213-H216 VanDerWaalsContact O-N 3.08Å; A214-H216 VanDerWaalsContact C-N 3.31Å; A214-H216 PolarHBondContact O-N 2.75Å; H216-G218 VanDerWaalsContact C-N 3.28Å; H216-G218 PolarHBondContact ND1-N 3.31Å; H216-G218 VanDerWaalsContact ND1-N 3.11Å; H216-G218 PolarHBondContact O-N 3.37Å; H216-H245 AromaticContact CD2-CE1 3.94Å; H216-H245 AromaticContact CD2-NE2 3.59Å; H216-E346 IonicContact CE1-OE1 2.75Å; H216-E346 IonicContact ND1-OE1 3.22Å
217	P	96	Very high	96.5	Very high	33 Å²	33	20.9 Å²	20.9	21%	0.214	11%	0.109	C	C	.	.			trans	-81	-3	-172	32.1	-36.8	0	0	0	114.6	V219 L224 L241	P217-V219 HydrophobicContact CB-CG2 4.07Å; P217-V219 HydrophobicContact CG-CG2 3.77Å; P217-L224 HydrophobicContact CG-CD2 4.43Å; P217-L241 HydrophobicContact CG-CD2 3.88Å
218	G	96.4	Very high	96.2	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.031	14%	0.138	C	C	.	.	S	Bend	trans	81.2	23.7	-178.8	0	0	0	0	0	114.2	N169 H216 E346	N169-G218 WeakPolarHBondContact OD1-CA 3.44Å; H216-G218 VanDerWaalsContact C-N 3.28Å; H216-G218 PolarHBondContact ND1-N 3.31Å; H216-G218 VanDerWaalsContact ND1-N 3.11Å; H216-G218 PolarHBondContact O-N 3.37Å; G218-E346 VanDerWaalsContact CA-OE1 3.25Å; G218-E346 WeakPolarHBondContact CA-OE1 3.13Å
219	V	96.2	Very high	95.9	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.03	14%	0.142	C	C	.	.	S	Bend	trans	-149.2	150.9	-179.4	-67	0	0	0	0	109.8	P217 Y223 L224 Q350	P217-V219 HydrophobicContact CB-CG2 4.07Å; P217-V219 HydrophobicContact CG-CG2 3.77Å; V219-Y223 HydrophobicContact CB-CD1 3.67Å; V219-Y223 HydrophobicContact CB-CD2 4.47Å; V219-Y223 HydrophobicContact CB-CE1 4.23Å; V219-Y223 HydrophobicContact CB-CG 3.8Å; V219-Y223 HydrophobicContact CG1-CD1 3.85Å; V219-Y223 HydrophobicContact CG1-CD2 4.18Å; V219-Y223 HydrophobicContact CG1-CE1 3.95Å; V219-Y223 HydrophobicContact CG1-CE2 4.26Å; V219-Y223 HydrophobicContact CG1-CG 3.96Å; V219-Y223 HydrophobicContact CG2-CD1 3.52Å; V219-Y223 HydrophobicContact CG2-CE1 3.96Å; V219-Y223 HydrophobicContact CG2-CG 4.18Å; V219-L224 HydrophobicContact CG2-CD2 3.82Å; V219-L224 HydrophobicContact CG2-CG 4.38Å; V219-Q350 VanDerWaalsContact CA-OE1 3.31Å; V219-Q350 HydrophobicContact CB-CG 4.43Å; V219-Q350 HydrophobicContact CG1-CB 4.19Å; V219-Q350 HydrophobicContact CG1-CG 4.06Å
220	N	95.8	Very high	95.6	Very high	50 Å²	50	25.7 Å²	25.7	27%	0.267	15%	0.147	S	C	.	.			trans	-82.5	167.6	179.9	72.6	4.2	0	0	0	113.7	S222 Y223 L224 Q350 M366	N220-S222 VanDerWaalsContact C-N 3.28Å; N220-S222 PolarHBondContact O-N 3.01Å; N220-S222 PolarHBondContact OD1-N 3.23Å; N220-Y223 WeakPolarHBondContact O-CB 3.46Å; N220-Y223 PolarHBondContact O-N 3.08Å; N220-Y223 PolarHBondContact OD1-N 3.06Å; N220-L224 PolarHBondContact O-N 2.89Å; N220-Q350 PolarHBondContact OD1-NE2 3.29Å; N220-Q350 PolarHBondContact OD1-OE1 2.85Å; N220-M366 WeakPolarHBondContact ND2-CE 3.5Å
221	Q	94.9	Very high	95.3	Very high	39 Å²	39	26.1 Å²	26.1	18%	0.182	15%	0.15	C	C	.	.	H	α-helix	trans	-53.1	-41.2	178.5	176.8	173.3	-44.3	0	0	113	Y223 L224 E225 S237 V240	Q221-Y223 PolarHBondContact O-N 3.39Å; Q221-L224 WeakPolarHBondContact O-CB 3.31Å; Q221-L224 PolarHBondContact O-N 3.34Å; Q221-E225 HydrophobicContact CG-CG 4.19Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.33Å; Q221-E225 PolarHBondContact NE2-OE1 2.99Å; Q221-E225 WeakPolarHBondContact O-CG 3.22Å; Q221-E225 PolarHBondContact O-N 2.88Å; Q221-S237 PolarHBondContact NE2-O 3.14Å; Q221-V240 HydrophobicContact CG-CB 3.98Å; Q221-V240 HydrophobicContact CG-CG2 3.92Å
222	S	94.2	Very high	95.1	Very high	42 Å²	42	26.8 Å²	26.8	29%	0.294	15%	0.154	S	C	.	.	H	α-helix	trans	-62.7	-28.6	179.7	-176.6	0	0	0	0	113.5	N220 K226	N220-S222 VanDerWaalsContact C-N 3.28Å; N220-S222 PolarHBondContact O-N 3.01Å; N220-S222 PolarHBondContact OD1-N 3.23Å; S222-K226 VanDerWaalsContact O-CD 3.24Å; S222-K226 WeakPolarHBondContact O-CD 3.42Å; S222-K226 WeakPolarHBondContact O-CG 3.27Å; S222-K226 PolarHBondContact O-N 3.48Å; S222-K226 WeakPolarHBondContact OG-CE 3.32Å; S222-K226 PolarHBondContact OG-NZ 2.92Å; S222-K226 VanDerWaalsContact OG-NZ 3.09Å
223	Y	95.1	Very high	94.7	Very high	19 Å²	19	32.3 Å²	32.3	8%	0.075	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-49.8	170	175.8	-81.9	0	0	0	110.5	V219 N220 Q221 E225 K226 T227 Q350 R353 E354 W358	V219-Y223 HydrophobicContact CB-CD1 3.67Å; V219-Y223 HydrophobicContact CB-CD2 4.47Å; V219-Y223 HydrophobicContact CB-CE1 4.23Å; V219-Y223 HydrophobicContact CB-CG 3.8Å; V219-Y223 HydrophobicContact CG1-CD1 3.85Å; V219-Y223 HydrophobicContact CG1-CD2 4.18Å; V219-Y223 HydrophobicContact CG1-CE1 3.95Å; V219-Y223 HydrophobicContact CG1-CE2 4.26Å; V219-Y223 HydrophobicContact CG1-CG 3.96Å; V219-Y223 HydrophobicContact CG2-CD1 3.52Å; V219-Y223 HydrophobicContact CG2-CE1 3.96Å; V219-Y223 HydrophobicContact CG2-CG 4.18Å; N220-Y223 WeakPolarHBondContact O-CB 3.46Å; N220-Y223 PolarHBondContact O-N 3.08Å; N220-Y223 PolarHBondContact OD1-N 3.06Å; Q221-Y223 PolarHBondContact O-N 3.39Å; Y223-E225 VanDerWaalsContact C-N 3.28Å; Y223-E225 PolarHBondContact O-N 3.32Å; Y223-K226 PolarHBondContact O-N 3.27Å; Y223-K226 VanDerWaalsContact O-N 3.13Å; Y223-T227 HydrophobicContact CD1-CG2 4.12Å; Y223-T227 HydrophobicContact CD2-CG2 4.47Å; Y223-T227 HydrophobicContact CE1-CG2 3.81Å; Y223-T227 HydrophobicContact CE2-CG2 4.2Å; Y223-T227 HydrophobicContact CG-CG2 4.45Å; Y223-T227 WeakPolarHBondContact O-CG2 3.35Å; Y223-T227 PolarHBondContact O-N 3.45Å; Y223-T227 PolarHBondContact O-OG1 2.79Å; Y223-T227 VanDerWaalsContact O-OG1 3.04Å; Y223-Q350 HydrophobicContact CD2-CG 3.79Å; Y223-Q350 HydrophobicContact CE2-CG 4.5Å; Y223-Q350 HydrophobicContact CG-CG 4.32Å; Y223-R353 HydrophobicContact CE2-CB 3.92Å; Y223-E354 HydrophobicContact CD2-CG 3.73Å; Y223-E354 HydrophobicContact CE2-CG 4.16Å; Y223-W358 AromaticContact CZ-NE1 3.61Å; Y223-W358 PolarHBondContact OH-NE1 2.78Å
224	L	95	Very high	94.4	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-54.8	-44.9	-179.3	-60.6	178.8	0	0	0	111.4	P217 V219 N220 Q221 T227 G228 D229 L231 V232 V240 L241	P217-L224 HydrophobicContact CG-CD2 4.43Å; V219-L224 HydrophobicContact CG2-CD2 3.82Å; V219-L224 HydrophobicContact CG2-CG 4.38Å; N220-L224 PolarHBondContact O-N 2.89Å; Q221-L224 WeakPolarHBondContact O-CB 3.31Å; Q221-L224 PolarHBondContact O-N 3.34Å; L224-T227 PolarHBondContact O-N 3.33Å; L224-T227 PolarHBondContact O-OG1 3.25Å; L224-G228 PolarHBondContact O-N 3.21Å; L224-G228 VanDerWaalsContact O-N 3.1Å; L224-D229 HydrophobicContact CB-CB 4.01Å; L224-D229 HydrophobicContact CD2-CB 3.83Å; L224-D229 HydrophobicContact CG-CB 4.5Å; L224-D229 PolarHBondContact O-N 3.06Å; L224-L231 HydrophobicContact CD1-CD1 4.32Å; L224-V232 HydrophobicContact CB-CG2 3.67Å; L224-V240 HydrophobicContact CD1-CG1 3.92Å; L224-L241 HydrophobicContact CD1-CD2 3.88Å; L224-L241 HydrophobicContact CD1-CG 4.17Å
225	E	94.6	Very high	94.2	Very high	81 Å²	81	33.6 Å²	33.6	38%	0.379	19%	0.189	S	C	.	.	H	α-helix	trans	-59.7	-49.9	175.9	-70.7	168.1	167	0	0	112.3	Q221 Y223 T227 G228 V232	Q221-E225 HydrophobicContact CG-CG 4.19Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.33Å; Q221-E225 PolarHBondContact NE2-OE1 2.99Å; Q221-E225 WeakPolarHBondContact O-CG 3.22Å; Q221-E225 PolarHBondContact O-N 2.88Å; Y223-E225 VanDerWaalsContact C-N 3.28Å; Y223-E225 PolarHBondContact O-N 3.32Å; E225-T227 VanDerWaalsContact C-N 3.27Å; E225-T227 PolarHBondContact O-N 3.45Å; E225-G228 PolarHBondContact O-N 3.09Å; E225-V232 HydrophobicContact CG-CG1 3.95Å; E225-V232 HydrophobicContact CG-CG2 4.14Å
226	K	93.5	Very high	94.1	Very high	88 Å²	88	39.6 Å²	39.6	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-66.4	-28	179.9	-68.9	164.4	-170.5	149.9	0	113.2	S222 Y223 E354 L360	S222-K226 VanDerWaalsContact O-CD 3.24Å; S222-K226 WeakPolarHBondContact O-CD 3.42Å; S222-K226 WeakPolarHBondContact O-CG 3.27Å; S222-K226 PolarHBondContact O-N 3.48Å; S222-K226 WeakPolarHBondContact OG-CE 3.32Å; S222-K226 PolarHBondContact OG-NZ 2.92Å; S222-K226 VanDerWaalsContact OG-NZ 3.09Å; Y223-K226 PolarHBondContact O-N 3.27Å; Y223-K226 VanDerWaalsContact O-N 3.13Å; K226-E354 IonicContact NZ-OE1 3.65Å; K226-E354 PolarHBondContact NZ-OE1 2.92Å; K226-L360 HydrophobicContact CB-CD1 3.91Å; K226-L360 HydrophobicContact CD-CD1 4.19Å
227	T	92.4	Very high	93.8	Very high	23 Å²	23	41.9 Å²	41.9	14%	0.141	23%	0.231	C	C	.	.	H	α-helix	trans	-93.2	-2.7	-179.7	58.8	0	0	0	0	113.9	Y223 L224 E225 W358	Y223-T227 HydrophobicContact CD1-CG2 4.12Å; Y223-T227 HydrophobicContact CD2-CG2 4.47Å; Y223-T227 HydrophobicContact CE1-CG2 3.81Å; Y223-T227 HydrophobicContact CE2-CG2 4.2Å; Y223-T227 HydrophobicContact CG-CG2 4.45Å; Y223-T227 WeakPolarHBondContact O-CG2 3.35Å; Y223-T227 PolarHBondContact O-N 3.45Å; Y223-T227 PolarHBondContact O-OG1 2.79Å; Y223-T227 VanDerWaalsContact O-OG1 3.04Å; L224-T227 PolarHBondContact O-N 3.33Å; L224-T227 PolarHBondContact O-OG1 3.25Å; E225-T227 VanDerWaalsContact C-N 3.27Å; E225-T227 PolarHBondContact O-N 3.45Å; T227-W358 HydrophobicContact CG2-CD2 3.77Å; T227-W358 HydrophobicContact CG2-CE3 4.38Å; T227-W358 HydrophobicContact CG2-CG 3.99Å; T227-W358 HydrophobicContact CG2-CZ2 3.93Å
228	G	91.3	Very high	93.7	Very high	60 Å²	60	43.3 Å²	43.3	62%	0.619	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	42.5	-176.6	0	0	0	0	0	112.8	L224 E225	L224-G228 PolarHBondContact O-N 3.21Å; L224-G228 VanDerWaalsContact O-N 3.1Å; E225-G228 PolarHBondContact O-N 3.09Å
229	D	92.5	Very high	93.6	Very high	16 Å²	16	43.6 Å²	43.6	9%	0.086	24%	0.24	C	C	.	.			trans	-73.2	139.8	178.4	-168.8	-87.9	0	0	0	111.6	Q50 L224 L231 V232	Q50-D229 PolarHBondContact NE2-OD2 3.17Å; L224-D229 HydrophobicContact CB-CB 4.01Å; L224-D229 HydrophobicContact CD2-CB 3.83Å; L224-D229 HydrophobicContact CG-CB 4.5Å; L224-D229 PolarHBondContact O-N 3.06Å; D229-L231 PolarHBondContact O-N 3.29Å; D229-L231 VanDerWaalsContact O-N 3.08Å; D229-L231 WeakPolarHBondContact OD1-CG 3.45Å; D229-L231 PolarHBondContact OD1-N 3.43Å; D229-L231 VanDerWaalsContact OD1-N 3.1Å; D229-V232 VanDerWaalsContact O-CB 3.29Å; D229-V232 WeakPolarHBondContact O-CB 3.46Å; D229-V232 WeakPolarHBondContact O-CG2 3.35Å; D229-V232 PolarHBondContact O-N 3.02Å
230	F	92.8	Very high	93.6	Very high	26 Å²	26	43.3 Å²	43.3	11%	0.114	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-25	-173.2	76.8	-87.5	0	0	0	113.8	M54 T57 V232 D233 L234	M54-F230 HydrophobicContact CB-CB 4.44Å; M54-F230 HydrophobicContact CB-CD1 3.67Å; M54-F230 HydrophobicContact CB-CD2 4.13Å; M54-F230 HydrophobicContact CB-CE1 3.91Å; M54-F230 HydrophobicContact CB-CE2 4.37Å; M54-F230 HydrophobicContact CB-CG 3.79Å; M54-F230 HydrophobicContact CB-CZ 4.26Å; M54-F230 HydrophobicContact CG-CB 3.73Å; M54-F230 HydrophobicContact CG-CD1 3.92Å; M54-F230 HydrophobicContact CG-CD2 3.81Å; M54-F230 HydrophobicContact CG-CE2 4.47Å; M54-F230 HydrophobicContact CG-CG 3.51Å; M54-F230 HydrophobicContact SD-CB 3.58Å; M54-F230 VanDerWaalsContact SD-CB 3.58Å; M54-F230 HydrophobicContact SD-CD1 4.37Å; M54-F230 HydrophobicContact SD-CG 3.99Å; T57-F230 HydrophobicContact CG2-CE2 3.81Å; T57-F230 HydrophobicContact CG2-CZ 4.35Å; F230-V232 PolarHBondContact O-N 2.93Å; F230-D233 PolarHBondContact O-N 3.38Å; F230-L234 WeakPolarHBondContact O-CB 3.46Å; F230-L234 PolarHBondContact O-N 3Å
231	L	92.8	Very high	93.7	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-30.7	175.9	-65	173.1	0	0	0	111.8	T57 L224 D229 L234 Y235 V240 H244	T57-L231 HydrophobicContact CG2-CD2 3.93Å; L224-L231 HydrophobicContact CD1-CD1 4.32Å; D229-L231 PolarHBondContact O-N 3.29Å; D229-L231 VanDerWaalsContact O-N 3.08Å; D229-L231 WeakPolarHBondContact OD1-CG 3.45Å; D229-L231 PolarHBondContact OD1-N 3.43Å; D229-L231 VanDerWaalsContact OD1-N 3.1Å; L231-L234 PolarHBondContact O-N 2.94Å; L231-Y235 HydrophobicContact CB-CD2 4.46Å; L231-Y235 HydrophobicContact CD2-CE2 3.98Å; L231-Y235 VanDerWaalsContact O-CD2 3.3Å; L231-Y235 WeakPolarHBondContact O-CD2 3.33Å; L231-Y235 PolarHBondContact O-N 2.95Å; L231-V240 HydrophobicContact CB-CG1 3.62Å; L231-H244 HydrophobicContact CD2-CB 4.38Å
232	V	93.6	Very high	93.9	Very high	14 Å²	14	40.9 Å²	40.9	9%	0.085	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-46.6	178.8	-175.9	0	0	0	0	110.4	L224 E225 D229 F230 L234 K236 S237 V240	L224-V232 HydrophobicContact CB-CG2 3.67Å; E225-V232 HydrophobicContact CG-CG1 3.95Å; E225-V232 HydrophobicContact CG-CG2 4.14Å; D229-V232 VanDerWaalsContact O-CB 3.29Å; D229-V232 WeakPolarHBondContact O-CB 3.46Å; D229-V232 WeakPolarHBondContact O-CG2 3.35Å; D229-V232 PolarHBondContact O-N 3.02Å; F230-V232 PolarHBondContact O-N 2.93Å; V232-L234 VanDerWaalsContact C-N 3.3Å; V232-L234 PolarHBondContact O-N 2.93Å; V232-K236 VanDerWaalsContact O-CA 3.31Å; V232-K236 WeakPolarHBondContact O-CA 3.44Å; V232-K236 PolarHBondContact O-N 3.21Å; V232-S237 WeakPolarHBondContact CG1-OG 3.13Å; V232-S237 PolarHBondContact O-N 3.14Å; V232-S237 VanDerWaalsContact O-N 3.1Å; V232-V240 HydrophobicContact CG2-CG1 4.4Å
233	D	91.9	Very high	94	Very high	116 Å²	116	42 Å²	42	62%	0.62	23%	0.226	S	C	*	.	H	α-helix	trans	-65.7	-33.7	174.8	-74.6	-29	0	0	0	112.1	F230 K236	F230-D233 PolarHBondContact O-N 3.38Å; D233-K236 WeakPolarHBondContact O-CD 3.21Å; D233-K236 VanDerWaalsContact O-CE 3.25Å; D233-K236 WeakPolarHBondContact O-CE 3.45Å; D233-K236 PolarHBondContact O-NZ 3.31Å
234	L	92.1	Very high	94.1	Very high	22 Å²	22	41.3 Å²	41.3	12%	0.115	22%	0.223	C	C	.	.	H	α-helix	trans	-68.8	-46.9	179.2	-163.5	64	0	0	0	111.9	T57 F61 F230 L231 V232	T57-L234 HydrophobicContact CG2-CD2 3.71Å; F61-L234 HydrophobicContact CB-CD1 3.66Å; F61-L234 HydrophobicContact CB-CD2 4.2Å; F61-L234 HydrophobicContact CB-CG 4.25Å; F61-L234 HydrophobicContact CD1-CD1 3.85Å; F61-L234 HydrophobicContact CD2-CD1 3.55Å; F61-L234 HydrophobicContact CD2-CD2 4.29Å; F61-L234 HydrophobicContact CD2-CG 3.68Å; F61-L234 HydrophobicContact CE1-CD1 4.39Å; F61-L234 HydrophobicContact CE2-CD1 4.12Å; F61-L234 HydrophobicContact CE2-CG 4.24Å; F61-L234 HydrophobicContact CG-CD1 3.4Å; F61-L234 VanDerWaalsContact CG-CD1 3.4Å; F61-L234 HydrophobicContact CG-CD2 4.49Å; F61-L234 HydrophobicContact CG-CG 4.03Å; F230-L234 WeakPolarHBondContact O-CB 3.46Å; F230-L234 PolarHBondContact O-N 3Å; L231-L234 PolarHBondContact O-N 2.94Å; V232-L234 VanDerWaalsContact C-N 3.3Å; V232-L234 PolarHBondContact O-N 2.93Å
235	Y	92.9	Very high	94.2	Very high	17 Å²	17	41.1 Å²	41.1	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-101.7	7.9	-174.6	-60.9	-57.7	0	0	0	114.5	F61 L231 S237 V238 V240 K243 H244 K247	F61-Y235 HydrophobicContact CD2-CE1 4.43Å; L231-Y235 HydrophobicContact CB-CD2 4.46Å; L231-Y235 HydrophobicContact CD2-CE2 3.98Å; L231-Y235 VanDerWaalsContact O-CD2 3.3Å; L231-Y235 WeakPolarHBondContact O-CD2 3.33Å; L231-Y235 PolarHBondContact O-N 2.95Å; Y235-S237 VanDerWaalsContact C-N 3.35Å; Y235-S237 PolarHBondContact O-N 3.3Å; Y235-V238 PolarHBondContact O-N 3.33Å; Y235-V240 HydrophobicContact CD2-CG1 4.32Å; Y235-V240 VanDerWaalsContact CD2-O 3.29Å; Y235-V240 WeakPolarHBondContact CD2-O 3.36Å; Y235-K243 HydrophobicContact CD1-CB 3.65Å; Y235-K243 HydrophobicContact CD1-CD 3.96Å; Y235-K243 HydrophobicContact CD1-CG 4.48Å; Y235-K243 HydrophobicContact CD2-CB 4.41Å; Y235-K243 HydrophobicContact CE1-CB 3.92Å; Y235-K243 HydrophobicContact CG-CB 3.92Å; Y235-K243 HydrophobicContact CG-CD 4.24Å; Y235-K243 PolarHBondContact O-NZ 2.99Å; Y235-H244 HydrophobicContact CD2-CB 4.43Å; Y235-H244 HydrophobicContact CE2-CB 3.63Å; Y235-K247 HydrophobicContact CE1-CG 4.3Å
236	K	94.2	Very high	94.4	Very high	155 Å²	155	37.3 Å²	37.3	67%	0.674	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	44.7	176.2	-49.8	-58.3	174.5	-162.1	0	113.1	V232 D233 V238	V232-K236 VanDerWaalsContact O-CA 3.31Å; V232-K236 WeakPolarHBondContact O-CA 3.44Å; V232-K236 PolarHBondContact O-N 3.21Å; D233-K236 WeakPolarHBondContact O-CD 3.21Å; D233-K236 VanDerWaalsContact O-CE 3.25Å; D233-K236 WeakPolarHBondContact O-CE 3.45Å; D233-K236 PolarHBondContact O-NZ 3.31Å; K236-V238 PolarHBondContact O-N 3.13Å; K236-V238 VanDerWaalsContact O-N 3.09Å
237	S	92	Very high	94.4	Very high	57 Å²	57	35.9 Å²	35.9	40%	0.399	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	20.7	179.6	-46.5	0	0	0	0	116.3	Q221 V232 Y235	Q221-S237 PolarHBondContact NE2-O 3.14Å; V232-S237 WeakPolarHBondContact CG1-OG 3.13Å; V232-S237 PolarHBondContact O-N 3.14Å; V232-S237 VanDerWaalsContact O-N 3.1Å; Y235-S237 VanDerWaalsContact C-N 3.35Å; Y235-S237 PolarHBondContact O-N 3.3Å
238	V	93.8	Very high	94.6	Very high	64 Å²	64	37 Å²	37	39%	0.388	20%	0.201	S	C	.	.	S	Bend	trans	-119.5	114.4	179.1	174.2	0	0	0	0	109.6	Y235 K236 V240 K243	Y235-V238 PolarHBondContact O-N 3.33Å; K236-V238 PolarHBondContact O-N 3.13Å; K236-V238 VanDerWaalsContact O-N 3.09Å; V238-V240 VanDerWaalsContact C-N 3.31Å; V238-V240 PolarHBondContact O-N 3.39Å; V238-K243 VanDerWaalsContact O-CD 3.27Å; V238-K243 WeakPolarHBondContact O-CD 3.36Å; V238-K243 WeakPolarHBondContact O-CE 3.35Å; V238-K243 PolarHBondContact O-NZ 2.85Å
239	S	95	Very high	94.8	Very high	8 Å²	8	34.2 Å²	34.2	6%	0.056	17%	0.172	C	C	.	.	S	Bend	trans	46.3	53.4	-178.7	-48.7	0	0	0	0	112	L241 E242 K243 D282 Y285	S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 3.42Å; S239-E242 VanDerWaalsContact CA-OE2 3.24Å; S239-E242 WeakPolarHBondContact CA-OE2 3.36Å; S239-E242 WeakPolarHBondContact CB-OE2 3.48Å; S239-E242 PolarHBondContact O-N 3.47Å; S239-K243 VanDerWaalsContact O-CB 3.28Å; S239-K243 WeakPolarHBondContact O-CB 3.39Å; S239-K243 VanDerWaalsContact O-CG 3.31Å; S239-K243 WeakPolarHBondContact O-CG 3.45Å; S239-K243 PolarHBondContact O-N 3.17Å; S239-D282 WeakPolarHBondContact CB-OD2 3.49Å; S239-D282 PolarHBondContact OG-OD2 3.32Å; S239-Y285 WeakPolarHBondContact OG-CE2 3.45Å
240	V	96.3	Very high	95	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-41.9	-167.7	171.6	0	0	0	0	111.2	Q221 L224 L231 V232 Y235 V238 H244	Q221-V240 HydrophobicContact CG-CB 3.98Å; Q221-V240 HydrophobicContact CG-CG2 3.92Å; L224-V240 HydrophobicContact CD1-CG1 3.92Å; L231-V240 HydrophobicContact CB-CG1 3.62Å; V232-V240 HydrophobicContact CG2-CG1 4.4Å; Y235-V240 HydrophobicContact CD2-CG1 4.32Å; Y235-V240 VanDerWaalsContact CD2-O 3.29Å; Y235-V240 WeakPolarHBondContact CD2-O 3.36Å; V238-V240 VanDerWaalsContact C-N 3.31Å; V238-V240 PolarHBondContact O-N 3.39Å; V240-H244 WeakPolarHBondContact O-CB 3.47Å; V240-H244 PolarHBondContact O-N 2.67Å
241	L	97.5	Very high	95.1	Very high	11 Å²	11	32.5 Å²	32.5	6%	0.058	16%	0.164	C	C	.	.	H	α-helix	trans	-73.4	-50.2	179.5	-74.4	170	0	0	0	110.6	P217 L224 S239 K243 H244 H245	P217-L241 HydrophobicContact CG-CD2 3.88Å; L224-L241 HydrophobicContact CD1-CD2 3.88Å; L224-L241 HydrophobicContact CD1-CG 4.17Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 3.42Å; L241-K243 PolarHBondContact O-N 3.36Å; L241-H244 CarbonylContact O-C 3.43Å; L241-H244 WeakPolarHBondContact O-CA 3.33Å; L241-H244 VanDerWaalsContact O-CB 3.23Å; L241-H244 WeakPolarHBondContact O-CB 3.46Å; L241-H244 PolarHBondContact O-N 3.27Å; L241-H245 VanDerWaalsContact C-CD2 3.44Å; L241-H245 PolarHBondContact O-CD2 3.09Å; L241-H245 PolarHBondContact O-N 2.95Å; L241-H245 PolarHBondContact O-ND1 2.89Å; L241-H245 PolarHBondContact O-NE2 3.02Å
242	E	98.3	Very high	95.3	Very high	27 Å²	27	32.5 Å²	32.5	13%	0.126	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-35.3	-172.6	-54.9	78.2	-174.5	0	0	111.8	S239 A246 I278 T281 D282	S239-E242 VanDerWaalsContact CA-OE2 3.24Å; S239-E242 WeakPolarHBondContact CA-OE2 3.36Å; S239-E242 WeakPolarHBondContact CB-OE2 3.48Å; S239-E242 PolarHBondContact O-N 3.47Å; E242-A246 VanDerWaalsContact O-CB 3.27Å; E242-A246 WeakPolarHBondContact O-CB 3.31Å; E242-A246 PolarHBondContact O-N 2.76Å; E242-I278 HydrophobicContact CB-CG2 4.4Å; E242-I278 VanDerWaalsContact O-CG2 3.3Å; E242-I278 WeakPolarHBondContact O-CG2 3.46Å; E242-T281 WeakPolarHBondContact CG-OG1 3.39Å; E242-D282 HydrophobicContact CG-CB 3.87Å; E242-D282 WeakPolarHBondContact OE1-CA 3.46Å
243	K	96.7	Very high	95.5	Very high	66 Å²	66	31.9 Å²	31.9	29%	0.287	16%	0.16	S	C	.	.	H	α-helix	trans	-66.5	-36.7	169.2	-72.5	177	-174.2	164.1	0	112.1	Y235 V238 S239 L241 A246 K247	Y235-K243 HydrophobicContact CD1-CB 3.65Å; Y235-K243 HydrophobicContact CD1-CD 3.96Å; Y235-K243 HydrophobicContact CD1-CG 4.48Å; Y235-K243 HydrophobicContact CD2-CB 4.41Å; Y235-K243 HydrophobicContact CE1-CB 3.92Å; Y235-K243 HydrophobicContact CG-CB 3.92Å; Y235-K243 HydrophobicContact CG-CD 4.24Å; Y235-K243 PolarHBondContact O-NZ 2.99Å; V238-K243 VanDerWaalsContact O-CD 3.27Å; V238-K243 WeakPolarHBondContact O-CD 3.36Å; V238-K243 WeakPolarHBondContact O-CE 3.35Å; V238-K243 PolarHBondContact O-NZ 2.85Å; S239-K243 VanDerWaalsContact O-CB 3.28Å; S239-K243 WeakPolarHBondContact O-CB 3.39Å; S239-K243 VanDerWaalsContact O-CG 3.31Å; S239-K243 WeakPolarHBondContact O-CG 3.45Å; S239-K243 PolarHBondContact O-N 3.17Å; L241-K243 PolarHBondContact O-N 3.36Å; K243-A246 PolarHBondContact O-N 3.24Å; K243-K247 WeakPolarHBondContact O-CB 3.22Å; K243-K247 WeakPolarHBondContact O-CG 3.37Å; K243-K247 PolarHBondContact O-N 3.31Å
244	H	96.9	Very high	95.6	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-52.9	173.7	-175	57	0	0	0	111.2	D215 L231 Y235 V240 L241 A246 K247 F248	D215-H244 IonicContact OD2-CD2 2.82Å; D215-H244 IonicContact OD2-CE1 2.78Å; D215-H244 IonicContact OD2-NE2 2.85Å; D215-H244 PolarHBondContact OD2-NE2 3.14Å; L231-H244 HydrophobicContact CD2-CB 4.38Å; Y235-H244 HydrophobicContact CD2-CB 4.43Å; Y235-H244 HydrophobicContact CE2-CB 3.63Å; V240-H244 WeakPolarHBondContact O-CB 3.47Å; V240-H244 PolarHBondContact O-N 2.67Å; L241-H244 CarbonylContact O-C 3.43Å; L241-H244 WeakPolarHBondContact O-CA 3.33Å; L241-H244 VanDerWaalsContact O-CB 3.23Å; L241-H244 WeakPolarHBondContact O-CB 3.46Å; L241-H244 PolarHBondContact O-N 3.27Å; H244-A246 VanDerWaalsContact C-N 3.28Å; H244-A246 PolarHBondContact O-N 2.92Å; H244-K247 PolarHBondContact O-N 3.42Å; H244-K247 VanDerWaalsContact O-N 3.16Å; H244-F248 WeakPolarHBondContact O-CB 3.06Å; H244-F248 PolarHBondContact O-N 2.96Å
245	H	98	Very high	95.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-57.2	-41.9	178	-53.3	-31.5	0	0	0	111.5	H212 A214 H216 L241 G249 I278	H212-H245 WeakPolarHBondContact O-CB 3.47Å; H212-H245 PolarHBondContact O-CD2 2.9Å; A214-H245 PolarHBondContact O-ND1 3.44Å; H216-H245 AromaticContact CD2-CE1 3.94Å; H216-H245 AromaticContact CD2-NE2 3.59Å; L241-H245 VanDerWaalsContact C-CD2 3.44Å; L241-H245 PolarHBondContact O-CD2 3.09Å; L241-H245 PolarHBondContact O-N 2.95Å; L241-H245 PolarHBondContact O-ND1 2.89Å; L241-H245 PolarHBondContact O-NE2 3.02Å; H245-G249 WeakPolarHBondContact O-CA 3.21Å; H245-G249 PolarHBondContact O-N 2.82Å; H245-I278 HydrophobicContact CB-CG2 3.98Å
246	A	97.4	Very high	95.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-43.1	176.1	0	0	0	0	0	113.4	E242 K243 H244 L250 F274 L275 I278	E242-A246 VanDerWaalsContact O-CB 3.27Å; E242-A246 WeakPolarHBondContact O-CB 3.31Å; E242-A246 PolarHBondContact O-N 2.76Å; K243-A246 PolarHBondContact O-N 3.24Å; H244-A246 VanDerWaalsContact C-N 3.28Å; H244-A246 PolarHBondContact O-N 2.92Å; A246-L250 WeakPolarHBondContact O-CG 3.32Å; A246-L250 PolarHBondContact O-N 2.84Å; A246-F274 WeakPolarHBondContact O-CE1 3.49Å; A246-L275 HydrophobicContact CB-CD2 4.25Å; A246-I278 HydrophobicContact CB-CB 4.03Å; A246-I278 HydrophobicContact CB-CD1 4.42Å; A246-I278 HydrophobicContact CB-CG2 4.07Å
247	K	95.1	Very high	95.7	Very high	57 Å²	57	23.7 Å²	23.7	25%	0.248	13%	0.126	C	C	.	.	H	α-helix	trans	-72.3	-46.3	178.5	-71.1	-69.2	-174.3	169.1	0	111.5	Y235 K243 H244 G249 L250 C251	Y235-K247 HydrophobicContact CE1-CG 4.3Å; K243-K247 WeakPolarHBondContact O-CB 3.22Å; K243-K247 WeakPolarHBondContact O-CG 3.37Å; K243-K247 PolarHBondContact O-N 3.31Å; H244-K247 PolarHBondContact O-N 3.42Å; H244-K247 VanDerWaalsContact O-N 3.16Å; K247-G249 VanDerWaalsContact C-N 3.34Å; K247-G249 PolarHBondContact O-N 3.43Å; K247-L250 PolarHBondContact O-N 2.87Å; K247-C251 PolarHBondContact O-N 2.68Å; K247-C251 PolarHBondContact O-SG 3.35Å
248	F	95.2	Very high	95.9	Very high	48 Å²	48	21 Å²	21	21%	0.211	11%	0.107	C	C	.	.	H	α-helix	trans	-60.4	-43.1	177.2	-168	-100.7	0	0	0	111.9	L60 A164 A214 D215 H244 L250 C251 I252	L60-F248 HydrophobicContact CD1-CD2 4.35Å; A164-F248 HydrophobicContact CB-CE1 3.83Å; A214-F248 HydrophobicContact CB-CD1 4.16Å; D215-F248 HydrophobicContact CB-CD1 3.76Å; D215-F248 HydrophobicContact CB-CD2 4.44Å; D215-F248 HydrophobicContact CB-CE1 3.76Å; D215-F248 HydrophobicContact CB-CE2 4.44Å; D215-F248 HydrophobicContact CB-CG 4.11Å; D215-F248 HydrophobicContact CB-CZ 4.11Å; H244-F248 WeakPolarHBondContact O-CB 3.06Å; H244-F248 PolarHBondContact O-N 2.96Å; F248-L250 PolarHBondContact O-N 3.04Å; F248-C251 WeakPolarHBondContact O-CB 3.5Å; F248-C251 PolarHBondContact O-N 2.87Å; F248-I252 HydrophobicContact CD1-CD1 3.86Å; F248-I252 HydrophobicContact CE1-CD1 3.68Å; F248-I252 HydrophobicContact CE1-CG1 4.44Å; F248-I252 PolarHBondContact O-N 2.89Å
249	G	96.9	Very high	96	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-43.5	174.3	0	0	0	0	0	113.3	H245 K247 C251 I252 L253	H245-G249 WeakPolarHBondContact O-CA 3.21Å; H245-G249 PolarHBondContact O-N 2.82Å; K247-G249 VanDerWaalsContact C-N 3.34Å; K247-G249 PolarHBondContact O-N 3.43Å; G249-C251 VanDerWaalsContact C-N 3.28Å; G249-C251 PolarHBondContact O-N 3.2Å; G249-I252 PolarHBondContact O-N 3.21Å; G249-L253 VanDerWaalsContact O-CG 3.31Å; G249-L253 WeakPolarHBondContact O-CG 3.34Å; G249-L253 PolarHBondContact O-N 3.3Å; G249-L253 VanDerWaalsContact O-N 3.07Å
250	L	96	Very high	96	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-37.1	175.1	-76.5	178.9	0	0	0	112.7	Y64 A246 K247 F248 L253 Q254 W267 R271 F274 L275	Y64-L250 HydrophobicContact CE1-CB 4.15Å; Y64-L250 HydrophobicContact CE1-CD1 4.39Å; Y64-L250 PolarHBondContact OH-O 3.41Å; A246-L250 WeakPolarHBondContact O-CG 3.32Å; A246-L250 PolarHBondContact O-N 2.84Å; K247-L250 PolarHBondContact O-N 2.87Å; F248-L250 PolarHBondContact O-N 3.04Å; L250-L253 PolarHBondContact O-N 3.27Å; L250-Q254 WeakPolarHBondContact O-CG 3.26Å; L250-Q254 PolarHBondContact O-N 3.37Å; L250-W267 HydrophobicContact CD2-CH2 3.99Å; L250-W267 HydrophobicContact CD2-CZ2 4.35Å; L250-R271 HydrophobicContact CD1-CG 4.05Å; L250-R271 HydrophobicContact CD2-CB 4.44Å; L250-R271 HydrophobicContact CD2-CG 3.94Å; L250-F274 HydrophobicContact CD2-CD1 3.75Å; L250-F274 HydrophobicContact CD2-CE1 4.22Å; L250-F274 HydrophobicContact CD2-CG 4.35Å; L250-F274 HydrophobicContact CG-CD1 3.81Å; L250-F274 HydrophobicContact CG-CE1 4.02Å; L250-L275 HydrophobicContact CD1-CD1 4.08Å; L250-L275 HydrophobicContact CD1-CD2 3.68Å; L250-L275 HydrophobicContact CD1-CG 3.86Å
251	C	95.5	Very high	96	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.02	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-50.9	176.1	-54.5	0	0	0	0	110.9	L60 Y64 K247 F248 G249 L253 Q254 E255	L60-C251 HydrophobicContact CD1-CB 4.4Å; L60-C251 HydrophobicContact CD2-CB 4.19Å; Y64-C251 WeakPolarHBondContact CE2-SG 3.47Å; Y64-C251 WeakPolarHBondContact OH-CA 3.31Å; Y64-C251 PolarHBondContact OH-N 2.88Å; K247-C251 PolarHBondContact O-N 2.68Å; K247-C251 PolarHBondContact O-SG 3.35Å; F248-C251 WeakPolarHBondContact O-CB 3.5Å; F248-C251 PolarHBondContact O-N 2.87Å; G249-C251 VanDerWaalsContact C-N 3.28Å; G249-C251 PolarHBondContact O-N 3.2Å; C251-L253 VanDerWaalsContact C-N 3.27Å; C251-L253 PolarHBondContact O-N 3.33Å; C251-Q254 PolarHBondContact O-N 2.85Å; C251-E255 WeakPolarHBondContact O-CB 3.27Å; C251-E255 VanDerWaalsContact O-CG 3.26Å; C251-E255 WeakPolarHBondContact O-CG 3.27Å; C251-E255 PolarHBondContact O-N 3.44Å
252	I	95.9	Very high	95.9	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.051	15%	0.145	C	C	.	.	H	α-helix	trans	-55.3	-43.2	176.3	-66.2	167.4	0	0	0	111.4	I161 A164 L211 F248 G249 N256	I161-I252 HydrophobicContact CG1-CG2 4.13Å; A164-I252 HydrophobicContact CB-CD1 3.64Å; L211-I252 HydrophobicContact CD2-CD1 4.04Å; F248-I252 HydrophobicContact CD1-CD1 3.86Å; F248-I252 HydrophobicContact CE1-CD1 3.68Å; F248-I252 HydrophobicContact CE1-CG1 4.44Å; F248-I252 PolarHBondContact O-N 2.89Å; G249-I252 PolarHBondContact O-N 3.21Å; I252-N256 VanDerWaalsContact O-CB 3.31Å; I252-N256 WeakPolarHBondContact O-CB 3.44Å; I252-N256 PolarHBondContact O-N 2.85Å; I252-N256 PolarHBondContact O-ND2 3.21Å
253	L	97.3	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.9	-44.5	-179.5	-64	175.4	0	0	0	112.3	I157 L207 L211 G249 L250 C251 G257 L258 W267 F274	I157-L253 HydrophobicContact CG2-CD2 3.73Å; L207-L253 HydrophobicContact CD1-CD1 4.1Å; L207-L253 HydrophobicContact CD1-CD2 4.2Å; L207-L253 HydrophobicContact CD2-CD2 3.99Å; L211-L253 HydrophobicContact CD1-CD1 4.07Å; L211-L253 HydrophobicContact CD1-CD2 4.02Å; L211-L253 HydrophobicContact CD1-CG 3.98Å; G249-L253 VanDerWaalsContact O-CG 3.31Å; G249-L253 WeakPolarHBondContact O-CG 3.34Å; G249-L253 PolarHBondContact O-N 3.3Å; G249-L253 VanDerWaalsContact O-N 3.07Å; L250-L253 PolarHBondContact O-N 3.27Å; C251-L253 VanDerWaalsContact C-N 3.27Å; C251-L253 PolarHBondContact O-N 3.33Å; L253-G257 PolarHBondContact O-N 2.99Å; L253-L258 HydrophobicContact CB-CB 4.39Å; L253-L258 HydrophobicContact CB-CD2 4.22Å; L253-L258 HydrophobicContact CD1-CD2 4.42Å; L253-L258 HydrophobicContact CD2-CD2 3.85Å; L253-L258 HydrophobicContact CG-CD2 4.37Å; L253-L258 VanDerWaalsContact O-CB 3.28Å; L253-L258 WeakPolarHBondContact O-CB 3.21Å; L253-L258 PolarHBondContact O-N 3.39Å; L253-W267 HydrophobicContact CB-CH2 4.19Å; L253-W267 HydrophobicContact CB-CZ3 4.37Å; L253-F274 HydrophobicContact CD1-CD2 4.36Å; L253-F274 HydrophobicContact CD1-CE2 4.03Å; L253-F274 HydrophobicContact CD1-CZ 4.15Å
254	Q	95.1	Very high	95.6	Very high	48 Å²	48	31.7 Å²	31.7	22%	0.224	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-49	178.4	-72.8	-166.1	-8.9	0	0	112.3	Y64 L250 C251 N256 G257 W267	Y64-Q254 VanDerWaalsContact OH-CD 3.26Å; Y64-Q254 PolarHBondContact OH-OE1 2.75Å; L250-Q254 WeakPolarHBondContact O-CG 3.26Å; L250-Q254 PolarHBondContact O-N 3.37Å; C251-Q254 PolarHBondContact O-N 2.85Å; Q254-N256 PolarHBondContact O-N 2.99Å; Q254-G257 WeakPolarHBondContact O-CA 3.46Å; Q254-G257 PolarHBondContact O-N 3.03Å; Q254-W267 HydrophobicContact CG-CH2 3.96Å; Q254-W267 HydrophobicContact CG-CZ2 3.64Å
255	E	92.6	Very high	95.6	Very high	63 Å²	63	37.2 Å²	37.2	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-61.1	-32.1	-179.7	-71.1	163.9	-154.3	0	0	112.5	C251 G257 V613 L617	C251-E255 WeakPolarHBondContact O-CB 3.27Å; C251-E255 VanDerWaalsContact O-CG 3.26Å; C251-E255 WeakPolarHBondContact O-CG 3.27Å; C251-E255 PolarHBondContact O-N 3.44Å; E255-G257 VanDerWaalsContact C-N 3.26Å; E255-G257 PolarHBondContact O-N 2.96Å; E255-V613 VanDerWaalsContact OE2-CG1 3.28Å; E255-V613 WeakPolarHBondContact OE2-CG1 3.34Å; E255-L617 HydrophobicContact CG-CD2 4.42Å; E255-L617 HydrophobicContact CG-CG 4.4Å; E255-L617 VanDerWaalsContact OE2-CD1 3.26Å; E255-L617 WeakPolarHBondContact OE2-CD1 3.2Å; E255-L617 WeakPolarHBondContact OE2-CG 3.38Å
256	N	94	Very high	95.5	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.048	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.9	174.4	-79.2	-82.7	0	0	0	114.1	R156 I157 S160 I252 Q254	R156-N256 WeakPolarHBondContact CD-OD1 3.43Å; R156-N256 VanDerWaalsContact CG-OD1 3.3Å; R156-N256 WeakPolarHBondContact CG-OD1 3.21Å; R156-N256 PolarHBondContact NE-OD1 3.45Å; R156-N256 PolarHBondContact NH2-O 3.24Å; I157-N256 HydrophobicContact CD1-CB 4.3Å; I157-N256 HydrophobicContact CG1-CB 3.41Å; I157-N256 VanDerWaalsContact CG1-CB 3.41Å; S160-N256 PolarHBondContact OG-ND2 2.91Å; S160-N256 VanDerWaalsContact OG-ND2 3.15Å; S160-N256 PolarHBondContact OG-OD1 2.92Å; I252-N256 VanDerWaalsContact O-CB 3.31Å; I252-N256 WeakPolarHBondContact O-CB 3.44Å; I252-N256 PolarHBondContact O-N 2.85Å; I252-N256 PolarHBondContact O-ND2 3.21Å; Q254-N256 PolarHBondContact O-N 2.99Å
257	G	94	Very high	95.5	Very high	18 Å²	18	39 Å²	39	19%	0.186	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	7.9	169.9	0	0	0	0	0	116	L253 Q254 E255 S259 N260 A261	L253-G257 PolarHBondContact O-N 2.99Å; Q254-G257 WeakPolarHBondContact O-CA 3.46Å; Q254-G257 PolarHBondContact O-N 3.03Å; E255-G257 VanDerWaalsContact C-N 3.26Å; E255-G257 PolarHBondContact O-N 2.96Å; G257-S259 VanDerWaalsContact C-N 3.3Å; G257-S259 PolarHBondContact O-N 2.98Å; G257-N260 PolarHBondContact O-N 3.16Å; G257-N260 VanDerWaalsContact O-N 3.08Å; G257-A261 PolarHBondContact O-N 3.21Å
258	L	96.7	Very high	95.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-37.8	-175.5	-176.2	60.5	0	0	0	112.6	L149 M153 M154 I157 F203 L207 L253 N260 A261 L262 W267	L149-L258 HydrophobicContact CD2-CD1 3.66Å; M153-L258 HydrophobicContact CE-CD1 3.83Å; M154-L258 HydrophobicContact SD-CD1 4.21Å; I157-L258 HydrophobicContact CD1-CB 3.99Å; I157-L258 HydrophobicContact CD1-CD1 4.41Å; F203-L258 HydrophobicContact CE1-CD1 4.07Å; F203-L258 HydrophobicContact CE1-CD2 3.99Å; F203-L258 HydrophobicContact CZ-CD1 3.9Å; F203-L258 HydrophobicContact CZ-CD2 3.95Å; L207-L258 HydrophobicContact CD1-CD2 3.66Å; L253-L258 HydrophobicContact CB-CB 4.39Å; L253-L258 HydrophobicContact CB-CD2 4.22Å; L253-L258 HydrophobicContact CD1-CD2 4.42Å; L253-L258 HydrophobicContact CD2-CD2 3.85Å; L253-L258 HydrophobicContact CG-CD2 4.37Å; L253-L258 VanDerWaalsContact O-CB 3.28Å; L253-L258 WeakPolarHBondContact O-CB 3.21Å; L253-L258 PolarHBondContact O-N 3.39Å; L258-N260 PolarHBondContact O-N 2.75Å; L258-A261 PolarHBondContact O-N 2.85Å; L258-A261 VanDerWaalsContact O-N 3.14Å; L258-L262 HydrophobicContact CD1-CD1 4.17Å; L258-L262 HydrophobicContact CD1-CG 4.2Å; L258-L262 HydrophobicContact CG-CD1 4.26Å; L258-L262 PolarHBondContact O-N 2.84Å; L258-W267 HydrophobicContact CB-CZ3 4.41Å; L258-W267 HydrophobicContact CD2-CZ3 4.13Å; L258-W267 HydrophobicContact CG-CE3 4.39Å; L258-W267 HydrophobicContact CG-CZ3 4.16Å
259	S	95.3	Very high	95.8	Very high	25 Å²	25	41.2 Å²	41.2	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-22.4	177.1	58.9	0	0	0	0	114.2	G257 W267	G257-S259 VanDerWaalsContact C-N 3.3Å; G257-S259 PolarHBondContact O-N 2.98Å; S259-W267 VanDerWaalsContact CB-CE2 3.47Å
260	N	95.3	Very high	95.8	Very high	142 Å²	142	41.3 Å²	41.3	76%	0.759	21%	0.214	S	C	*	.	H	α-helix	trans	-100.7	-10.4	-178.6	-56.4	-9.9	0	0	0	111.9	G257 L258	G257-N260 PolarHBondContact O-N 3.16Å; G257-N260 VanDerWaalsContact O-N 3.08Å; L258-N260 PolarHBondContact O-N 2.75Å
261	A	95.4	Very high	95.8	Very high	38 Å²	38	44.6 Å²	44.6	31%	0.314	23%	0.226	S	C	.	.	H	α-helix	trans	-94.6	-28.3	-178.8	0	0	0	0	0	113	L149 M153 G257 L258	L149-A261 HydrophobicContact CD2-CB 4.48Å; M153-A261 HydrophobicContact CE-CB 3.66Å; M153-A261 HydrophobicContact SD-CB 3.58Å; M153-A261 VanDerWaalsContact SD-CB 3.58Å; G257-A261 PolarHBondContact O-N 3.21Å; L258-A261 PolarHBondContact O-N 2.85Å; L258-A261 VanDerWaalsContact O-N 3.14Å
262	L	96.1	Very high	95.9	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	24%	0.241	C	C	.	.	S	Bend	trans	-86.7	158.3	172.7	-71.6	174.9	0	0	0	111.3	L147 L149 F203 L258 E266 W267 V270	L147-L262 HydrophobicContact CB-CD2 4.11Å; L149-L262 HydrophobicContact CD2-CD2 3.85Å; L149-L262 HydrophobicContact CD2-CG 4.21Å; L149-L262 HydrophobicContact CG-CD2 4.46Å; F203-L262 HydrophobicContact CE1-CD1 4.17Å; L258-L262 HydrophobicContact CD1-CD1 4.17Å; L258-L262 HydrophobicContact CD1-CG 4.2Å; L258-L262 HydrophobicContact CG-CD1 4.26Å; L258-L262 PolarHBondContact O-N 2.84Å; L262-E266 HydrophobicContact CB-CB 4.14Å; L262-E266 HydrophobicContact CD2-CB 4.33Å; L262-W267 HydrophobicContact CB-CB 4.18Å; L262-W267 HydrophobicContact CD1-CE3 4.35Å; L262-V270 HydrophobicContact CD1-CB 4.49Å; L262-V270 HydrophobicContact CD1-CG2 4.09Å
263	E	94.9	Very high	96	Very high	88 Å²	88	47.3 Å²	47.3	41%	0.411	24%	0.241	S	C	.	.			trans	-68.4	150.1	167.4	-62.2	-176.4	-164.1	0	0	110	K148 H265 E266 W267	K148-E263 IonicContact NZ-OE1 3.45Å; K148-E263 PolarHBondContact NZ-OE1 3.49Å; E263-H265 VanDerWaalsContact C-N 3.28Å; E263-H265 PolarHBondContact O-N 2.85Å; E263-H265 VanDerWaalsContact O-N 3.14Å; E263-H265 IonicContact OE2-CE1 3.47Å; E263-H265 PolarHBondContact OE2-CE1 3.14Å; E263-H265 IonicContact OE2-ND1 2.98Å; E263-E266 HydrophobicContact CB-CG 4.18Å; E263-E266 WeakPolarHBondContact CB-OE2 3.5Å; E263-E266 PolarHBondContact N-OE2 3.25Å; E263-E266 WeakPolarHBondContact O-CA 3.43Å; E263-E266 WeakPolarHBondContact O-CB 3.32Å; E263-E266 PolarHBondContact O-N 3.34Å; E263-W267 PolarHBondContact O-N 3.18Å
264	L	95.1	Very high	95.7	Very high	97 Å²	97	47.3 Å²	47.3	51%	0.508	24%	0.241	S	C	.	.	H	α-helix	trans	-52.9	-45	-169.9	177.6	61	0	0	0	112.7	E266 W267 E268	L264-E266 VanDerWaalsContact C-N 3.34Å; L264-E266 PolarHBondContact O-N 3.08Å; L264-W267 PolarHBondContact O-N 3.08Å; L264-E268 HydrophobicContact CD1-CG 4.22Å; L264-E268 WeakPolarHBondContact O-CB 3.44Å; L264-E268 VanDerWaalsContact O-CG 3.31Å; L264-E268 WeakPolarHBondContact O-CG 3.38Å; L264-E268 PolarHBondContact O-N 3.5Å
265	H	96.2	Very high	95.8	Very high	118 Å²	118	47.6 Å²	47.6	55%	0.546	24%	0.244	S	C	.	.	H	α-helix	trans	-67	-32.5	179.1	74.4	-83.9	0	0	0	113	E263 F269	E263-H265 VanDerWaalsContact C-N 3.28Å; E263-H265 PolarHBondContact O-N 2.85Å; E263-H265 VanDerWaalsContact O-N 3.14Å; E263-H265 IonicContact OE2-CE1 3.47Å; E263-H265 PolarHBondContact OE2-CE1 3.14Å; E263-H265 IonicContact OE2-ND1 2.98Å; H265-F269 VanDerWaalsContact O-CB 3.27Å; H265-F269 WeakPolarHBondContact O-CB 3.46Å; H265-F269 PolarHBondContact O-N 3.12Å
266	E	96.4	Very high	96.1	Very high	24 Å²	24	48.4 Å²	48.4	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-44.2	174.1	-59.8	179.8	115.4	0	0	110.7	L147 T200 L262 E263 L264 F269 V270	L147-E266 WeakPolarHBondContact CD2-OE1 3.26Å; T200-E266 HydrophobicContact CG2-CB 4.43Å; L262-E266 HydrophobicContact CB-CB 4.14Å; L262-E266 HydrophobicContact CD2-CB 4.33Å; E263-E266 HydrophobicContact CB-CG 4.18Å; E263-E266 WeakPolarHBondContact CB-OE2 3.5Å; E263-E266 PolarHBondContact N-OE2 3.25Å; E263-E266 WeakPolarHBondContact O-CA 3.43Å; E263-E266 WeakPolarHBondContact O-CB 3.32Å; E263-E266 PolarHBondContact O-N 3.34Å; L264-E266 VanDerWaalsContact C-N 3.34Å; L264-E266 PolarHBondContact O-N 3.08Å; E266-F269 PolarHBondContact O-N 2.86Å; E266-V270 WeakPolarHBondContact O-CB 3.23Å; E266-V270 VanDerWaalsContact O-CG2 3.26Å; E266-V270 WeakPolarHBondContact O-CG2 3.36Å; E266-V270 PolarHBondContact O-N 2.94Å
267	W	97.5	Very high	96.3	Very high	17 Å²	17	48 Å²	48	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-44.9	175.6	170.6	-112.1	0	0	0	111.5	L250 L253 Q254 L258 S259 L262 E263 L264 F269 V270 R271	L250-W267 HydrophobicContact CD2-CH2 3.99Å; L250-W267 HydrophobicContact CD2-CZ2 4.35Å; L253-W267 HydrophobicContact CB-CH2 4.19Å; L253-W267 HydrophobicContact CB-CZ3 4.37Å; Q254-W267 HydrophobicContact CG-CH2 3.96Å; Q254-W267 HydrophobicContact CG-CZ2 3.64Å; L258-W267 HydrophobicContact CB-CZ3 4.41Å; L258-W267 HydrophobicContact CD2-CZ3 4.13Å; L258-W267 HydrophobicContact CG-CE3 4.39Å; L258-W267 HydrophobicContact CG-CZ3 4.16Å; S259-W267 VanDerWaalsContact CB-CE2 3.47Å; L262-W267 HydrophobicContact CB-CB 4.18Å; L262-W267 HydrophobicContact CD1-CE3 4.35Å; E263-W267 PolarHBondContact O-N 3.18Å; L264-W267 PolarHBondContact O-N 3.08Å; W267-F269 PolarHBondContact O-N 2.88Å; W267-V270 PolarHBondContact O-N 2.91Å; W267-R271 HydrophobicContact CZ2-CB 4.33Å; W267-R271 HydrophobicContact CZ2-CG 4.45Å; W267-R271 WeakPolarHBondContact O-CB 3.29Å; W267-R271 PolarHBondContact O-N 3.47Å
268	E	97.4	Very high	96.5	Very high	88 Å²	88	47.1 Å²	47.1	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-59	-46.9	175.3	-74.7	179.8	148.5	0	0	111.1	L264 R271 D272	L264-E268 HydrophobicContact CD1-CG 4.22Å; L264-E268 WeakPolarHBondContact O-CB 3.44Å; L264-E268 VanDerWaalsContact O-CG 3.31Å; L264-E268 WeakPolarHBondContact O-CG 3.38Å; L264-E268 PolarHBondContact O-N 3.5Å; E268-R271 PolarHBondContact O-N 3.33Å; E268-D272 WeakPolarHBondContact O-CB 3.46Å; E268-D272 PolarHBondContact O-N 2.97Å
269	F	97.2	Very high	96.6	Very high	63 Å²	63	48.4 Å²	48.4	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-44.7	176.9	-176.1	-88.5	0	0	0	113	T200 E201 H265 E266 W267 D272 C273 I310	T200-F269 HydrophobicContact CG2-CD1 3.85Å; T200-F269 HydrophobicContact CG2-CE1 4.46Å; E201-F269 HydrophobicContact CG-CE1 3.55Å; E201-F269 HydrophobicContact CG-CZ 3.56Å; H265-F269 VanDerWaalsContact O-CB 3.27Å; H265-F269 WeakPolarHBondContact O-CB 3.46Å; H265-F269 PolarHBondContact O-N 3.12Å; E266-F269 PolarHBondContact O-N 2.86Å; W267-F269 PolarHBondContact O-N 2.88Å; F269-D272 PolarHBondContact O-N 3.45Å; F269-C273 WeakPolarHBondContact CE1-SG 3.19Å; F269-C273 VanDerWaalsContact CZ-SG 3.58Å; F269-C273 WeakPolarHBondContact O-CB 3.38Å; F269-C273 PolarHBondContact O-N 3.14Å; F269-C273 PolarHBondContact O-SG 2.98Å; F269-I310 HydrophobicContact CE2-CG2 4.47Å
270	V	97.3	Very high	96.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-47.5	176.5	168.9	0	0	0	0	110.3	T200 F203 A204 L207 L262 E266 W267 D272 C273 F274	T200-V270 HydrophobicContact CG2-CG2 3.63Å; F203-V270 HydrophobicContact CD1-CG2 4.07Å; A204-V270 HydrophobicContact CB-CG1 4.46Å; A204-V270 HydrophobicContact CB-CG2 4.47Å; L207-V270 HydrophobicContact CD1-CG1 4.05Å; L262-V270 HydrophobicContact CD1-CB 4.49Å; L262-V270 HydrophobicContact CD1-CG2 4.09Å; E266-V270 WeakPolarHBondContact O-CB 3.23Å; E266-V270 VanDerWaalsContact O-CG2 3.26Å; E266-V270 WeakPolarHBondContact O-CG2 3.36Å; E266-V270 PolarHBondContact O-N 2.94Å; W267-V270 PolarHBondContact O-N 2.91Å; V270-D272 VanDerWaalsContact C-N 3.33Å; V270-D272 PolarHBondContact O-N 3.19Å; V270-C273 PolarHBondContact O-N 3.22Å; V270-F274 WeakPolarHBondContact O-CB 3.44Å; V270-F274 PolarHBondContact O-N 3.4Å
271	R	97.6	Very high	96.9	Very high	72 Å²	72	40.9 Å²	40.9	27%	0.272	20%	0.202	S	C	.	.	H	α-helix	trans	-57.8	-45.6	176	-175.3	-155.8	73.2	-148.9	1.2	111.2	L250 W267 E268 F274 L275	L250-R271 HydrophobicContact CD1-CG 4.05Å; L250-R271 HydrophobicContact CD2-CB 4.44Å; L250-R271 HydrophobicContact CD2-CG 3.94Å; W267-R271 HydrophobicContact CZ2-CB 4.33Å; W267-R271 HydrophobicContact CZ2-CG 4.45Å; W267-R271 WeakPolarHBondContact O-CB 3.29Å; W267-R271 PolarHBondContact O-N 3.47Å; E268-R271 PolarHBondContact O-N 3.33Å; R271-F274 PolarHBondContact O-N 3.02Å; R271-L275 HydrophobicContact CG-CD1 4.14Å; R271-L275 WeakPolarHBondContact O-CB 3.28Å; R271-L275 WeakPolarHBondContact O-CG 3.5Å; R271-L275 PolarHBondContact O-N 3.39Å
272	D	97.5	Very high	97	Very high	62 Å²	62	39.3 Å²	39.3	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-72.1	-30.4	-178.2	-106.7	55.8	0	0	0	113.8	E268 F269 V270 K276	E268-D272 WeakPolarHBondContact O-CB 3.46Å; E268-D272 PolarHBondContact O-N 2.97Å; F269-D272 PolarHBondContact O-N 3.45Å; V270-D272 VanDerWaalsContact C-N 3.33Å; V270-D272 PolarHBondContact O-N 3.19Å; D272-K276 WeakPolarHBondContact O-CD 3.45Å; D272-K276 VanDerWaalsContact O-CG 3.26Å; D272-K276 WeakPolarHBondContact O-CG 3.37Å; D272-K276 PolarHBondContact O-NZ 2.76Å; D272-K276 IonicContact OD2-NZ 3.61Å; D272-K276 PolarHBondContact OD2-NZ 2.89Å
273	C	96.9	Very high	96.9	Very high	8 Å²	8	42 Å²	42	5%	0.054	20%	0.202	C	C	.	.	H	α-helix	trans	-70.6	-47.8	168.8	-70.3	0	0	0	0	110.4	A204 F269 V270 L275 K276 L277	A204-C273 HydrophobicContact CB-CB 3.8Å; F269-C273 WeakPolarHBondContact CE1-SG 3.19Å; F269-C273 VanDerWaalsContact CZ-SG 3.58Å; F269-C273 WeakPolarHBondContact O-CB 3.38Å; F269-C273 PolarHBondContact O-N 3.14Å; F269-C273 PolarHBondContact O-SG 2.98Å; V270-C273 PolarHBondContact O-N 3.22Å; C273-L275 VanDerWaalsContact C-N 3.33Å; C273-L275 PolarHBondContact O-N 3.28Å; C273-K276 CarbonylContact O-C 3.45Å; C273-K276 WeakPolarHBondContact O-CA 3.24Å; C273-K276 PolarHBondContact O-N 3.12Å; C273-L277 HydrophobicContact CB-CD1 4.1Å; C273-L277 WeakPolarHBondContact O-CB 3.18Å; C273-L277 VanDerWaalsContact O-CG 3.23Å; C273-L277 WeakPolarHBondContact O-CG 3.38Å; C273-L277 PolarHBondContact O-N 3.43Å
274	F	92.4	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-45.1	-179	-167.2	-94.9	0	0	0	112.4	L207 A208 L211 A246 L250 L253 V270 R271 K276 L277 I278	L207-F274 HydrophobicContact CB-CD2 4.2Å; L207-F274 HydrophobicContact CB-CE2 4.12Å; A208-F274 HydrophobicContact CB-CD2 4.27Å; L211-F274 HydrophobicContact CB-CE2 3.93Å; L211-F274 HydrophobicContact CB-CZ 3.62Å; L211-F274 HydrophobicContact CD1-CE2 3.78Å; L211-F274 HydrophobicContact CD1-CZ 3.55Å; L211-F274 HydrophobicContact CG-CE2 4.49Å; L211-F274 HydrophobicContact CG-CZ 4.18Å; A246-F274 WeakPolarHBondContact O-CE1 3.49Å; L250-F274 HydrophobicContact CD2-CD1 3.75Å; L250-F274 HydrophobicContact CD2-CE1 4.22Å; L250-F274 HydrophobicContact CD2-CG 4.35Å; L250-F274 HydrophobicContact CG-CD1 3.81Å; L250-F274 HydrophobicContact CG-CE1 4.02Å; L253-F274 HydrophobicContact CD1-CD2 4.36Å; L253-F274 HydrophobicContact CD1-CE2 4.03Å; L253-F274 HydrophobicContact CD1-CZ 4.15Å; V270-F274 WeakPolarHBondContact O-CB 3.44Å; V270-F274 PolarHBondContact O-N 3.4Å; R271-F274 PolarHBondContact O-N 3.02Å; F274-K276 PolarHBondContact O-N 2.99Å; F274-L277 PolarHBondContact O-N 3.26Å; F274-I278 HydrophobicContact CD1-CD1 4.06Å; F274-I278 HydrophobicContact CD2-CD1 4.21Å; F274-I278 HydrophobicContact CE1-CD1 3.53Å; F274-I278 HydrophobicContact CE2-CD1 3.7Å; F274-I278 HydrophobicContact CG-CD1 4.37Å; F274-I278 HydrophobicContact CZ-CD1 3.33Å; F274-I278 PolarHBondContact O-N 2.87Å
275	L	96.8	Very high	96.9	Very high	54 Å²	54	42.9 Å²	42.9	28%	0.283	21%	0.208	S	C	.	.	H	α-helix	trans	-68.2	-10	175	-72.4	172.9	0	0	0	115	A246 L250 R271 C273 P279	A246-L275 HydrophobicContact CB-CD2 4.25Å; L250-L275 HydrophobicContact CD1-CD1 4.08Å; L250-L275 HydrophobicContact CD1-CD2 3.68Å; L250-L275 HydrophobicContact CD1-CG 3.86Å; R271-L275 HydrophobicContact CG-CD1 4.14Å; R271-L275 WeakPolarHBondContact O-CB 3.28Å; R271-L275 WeakPolarHBondContact O-CG 3.5Å; R271-L275 PolarHBondContact O-N 3.39Å; C273-L275 VanDerWaalsContact C-N 3.33Å; C273-L275 PolarHBondContact O-N 3.28Å; L275-P279 WeakPolarHBondContact O-CD 3.06Å; L275-P279 WeakPolarHBondContact O-CG 3.28Å
276	K	98.1	Very high	96.9	Very high	80 Å²	80	37.7 Å²	37.7	35%	0.348	18%	0.183	S	C	.	.	H	α-helix	trans	-111.4	-24.8	176.2	-64.2	-179.1	-163.9	87.3	0	112.6	D272 C273 F274 L314 Q318	D272-K276 WeakPolarHBondContact O-CD 3.45Å; D272-K276 VanDerWaalsContact O-CG 3.26Å; D272-K276 WeakPolarHBondContact O-CG 3.37Å; D272-K276 PolarHBondContact O-NZ 2.76Å; D272-K276 IonicContact OD2-NZ 3.61Å; D272-K276 PolarHBondContact OD2-NZ 2.89Å; C273-K276 CarbonylContact O-C 3.45Å; C273-K276 WeakPolarHBondContact O-CA 3.24Å; C273-K276 PolarHBondContact O-N 3.12Å; F274-K276 PolarHBondContact O-N 2.99Å; K276-L314 HydrophobicContact CB-CD1 4.21Å; K276-L314 HydrophobicContact CB-CD2 4.27Å; K276-L314 HydrophobicContact CD-CD2 3.64Å; K276-Q318 PolarHBondContact O-NE2 2.97Å
277	L	98.7	Very high	97	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-76.5	-50.3	177.9	-72.2	168.4	0	0	0	111.5	A204 A208 C273 F274 A280 L314 M317 Q318 L321	A204-L277 HydrophobicContact CB-CD1 4.46Å; A208-L277 HydrophobicContact CB-CB 3.74Å; A208-L277 HydrophobicContact CB-CD1 3.85Å; A208-L277 HydrophobicContact CB-CG 4.43Å; C273-L277 HydrophobicContact CB-CD1 4.1Å; C273-L277 WeakPolarHBondContact O-CB 3.18Å; C273-L277 VanDerWaalsContact O-CG 3.23Å; C273-L277 WeakPolarHBondContact O-CG 3.38Å; C273-L277 PolarHBondContact O-N 3.43Å; F274-L277 PolarHBondContact O-N 3.26Å; L277-A280 VanDerWaalsContact O-CB 3.31Å; L277-A280 WeakPolarHBondContact O-CB 3.16Å; L277-A280 PolarHBondContact O-N 3.28Å; L277-A280 VanDerWaalsContact O-N 3.14Å; L277-L314 HydrophobicContact CD2-CD1 4.41Å; L277-L314 HydrophobicContact CG-CD1 4.5Å; L277-M317 HydrophobicContact CD2-CB 3.55Å; L277-Q318 HydrophobicContact CD2-CB 4.45Å; L277-Q318 HydrophobicContact CD2-CG 3.85Å; L277-L321 HydrophobicContact CB-CD2 4.15Å
278	I	98.5	Very high	97	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-67.6	-48	-177	-64.4	175.8	0	0	0	111.3	A208 L211 H212 E242 H245 A246 F274 A280 T281	A208-I278 HydrophobicContact CB-CG1 4.08Å; L211-I278 HydrophobicContact CB-CD1 4.26Å; H212-I278 HydrophobicContact CB-CG1 4.2Å; H212-I278 HydrophobicContact CB-CG2 4.39Å; E242-I278 HydrophobicContact CB-CG2 4.4Å; E242-I278 VanDerWaalsContact O-CG2 3.3Å; E242-I278 WeakPolarHBondContact O-CG2 3.46Å; H245-I278 HydrophobicContact CB-CG2 3.98Å; A246-I278 HydrophobicContact CB-CB 4.03Å; A246-I278 HydrophobicContact CB-CD1 4.42Å; A246-I278 HydrophobicContact CB-CG2 4.07Å; F274-I278 HydrophobicContact CD1-CD1 4.06Å; F274-I278 HydrophobicContact CD2-CD1 4.21Å; F274-I278 HydrophobicContact CE1-CD1 3.53Å; F274-I278 HydrophobicContact CE2-CD1 3.7Å; F274-I278 HydrophobicContact CG-CD1 4.37Å; F274-I278 HydrophobicContact CZ-CD1 3.33Å; F274-I278 PolarHBondContact O-N 2.87Å; I278-A280 PolarHBondContact O-N 3.17Å; I278-T281 PolarHBondContact O-N 3.46Å; I278-T281 PolarHBondContact O-OG1 2.91Å
279	P	97.8	Very high	97	Very high	27 Å²	27	38.7 Å²	38.7	18%	0.175	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.9	-9.5	172.9	-27.2	39.1	0	0	0	115.3	L275	L275-P279 WeakPolarHBondContact O-CD 3.06Å; L275-P279 WeakPolarHBondContact O-CG 3.28Å
280	A	98.2	Very high	97	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-79.4	-17.6	169.9	0	0	0	0	0	113.1	L277 I278 D282 Y289 Q318 K322	L277-A280 VanDerWaalsContact O-CB 3.31Å; L277-A280 WeakPolarHBondContact O-CB 3.16Å; L277-A280 PolarHBondContact O-N 3.28Å; L277-A280 VanDerWaalsContact O-N 3.14Å; I278-A280 PolarHBondContact O-N 3.17Å; A280-D282 VanDerWaalsContact C-N 3.27Å; A280-D282 PolarHBondContact O-N 3.44Å; A280-Y289 WeakPolarHBondContact CA-OH 3.33Å; A280-Y289 HydrophobicContact CB-CE1 3.88Å; A280-Y289 HydrophobicContact CB-CE2 3.92Å; A280-Y289 VanDerWaalsContact CB-CZ 3.49Å; A280-Y289 WeakPolarHBondContact CB-OH 3.36Å; A280-Q318 HydrophobicContact CB-CB 3.83Å; A280-Q318 HydrophobicContact CB-CG 3.68Å; A280-K322 WeakPolarHBondContact O-CD 3.42Å; A280-K322 WeakPolarHBondContact O-CE 3.47Å; A280-K322 WeakPolarHBondContact O-CG 3.43Å; A280-K322 PolarHBondContact O-NZ 3.48Å
281	T	98.4	Very high	97.1	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.049	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.9	177	60.6	0	0	0	0	111.8	H212 E242 I278 I283 L321 K322	H212-T281 HydrophobicContact CB-CG2 4.16Å; E242-T281 WeakPolarHBondContact CG-OG1 3.39Å; I278-T281 PolarHBondContact O-N 3.46Å; I278-T281 PolarHBondContact O-OG1 2.91Å; T281-I283 PolarHBondContact O-N 3.04Å; T281-L321 HydrophobicContact CG2-CD2 3.85Å; T281-L321 HydrophobicContact CG2-CG 3.88Å; T281-K322 PolarHBondContact O-NZ 2.88Å
282	D	98	Very high	97.1	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.027	24%	0.238	C	C	.	.			trans	-38.9	113.7	176.8	-173.9	-19.3	0	0	0	111.2	S239 E242 A280 T284 Y285 K322	S239-D282 WeakPolarHBondContact CB-OD2 3.49Å; S239-D282 PolarHBondContact OG-OD2 3.32Å; E242-D282 HydrophobicContact CG-CB 3.87Å; E242-D282 WeakPolarHBondContact OE1-CA 3.46Å; A280-D282 VanDerWaalsContact C-N 3.27Å; A280-D282 PolarHBondContact O-N 3.44Å; D282-T284 PolarHBondContact O-N 2.8Å; D282-T284 WeakPolarHBondContact OD1-CA 3.38Å; D282-T284 WeakPolarHBondContact OD1-CB 3.32Å; D282-T284 PolarHBondContact OD1-N 3.28Å; D282-T284 PolarHBondContact OD1-OG1 2.94Å; D282-Y285 HydrophobicContact CB-CD2 4.06Å; D282-Y285 PolarHBondContact O-N 3.23Å; D282-Y285 WeakPolarHBondContact OD2-CD2 3.04Å; D282-Y285 VanDerWaalsContact OD2-CE2 3.28Å; D282-Y285 WeakPolarHBondContact OD2-CE2 3.28Å; D282-K322 PolarHBondContact O-NZ 2.89Å
283	I	93.9	Very high	97.1	Very high	68 Å²	68	42.9 Å²	42.9	35%	0.349	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-69.3	-23.7	-173.4	-163.5	67.3	0	0	0	111.4	T281 Y285 Q286 I326 M384	T281-I283 PolarHBondContact O-N 3.04Å; I283-Y285 PolarHBondContact O-N 2.98Å; I283-Q286 HydrophobicContact CD1-CB 4.28Å; I283-Q286 VanDerWaalsContact O-CB 3.22Å; I283-Q286 WeakPolarHBondContact O-CB 3.49Å; I283-Q286 PolarHBondContact O-N 3.36Å; I283-Q286 VanDerWaalsContact O-N 3.09Å; I283-I326 HydrophobicContact CD1-CG2 4.4Å; I283-M384 HydrophobicContact CD1-SD 4.39Å; I283-M384 HydrophobicContact CG1-CE 3.89Å; I283-M384 HydrophobicContact CG1-SD 4.28Å
284	T	94.7	Very high	97.2	Very high	110 Å²	110	47.9 Å²	47.9	68%	0.675	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-59.1	-37.1	177.9	-43.8	0	0	0	0	111.4	D282	D282-T284 PolarHBondContact O-N 2.8Å; D282-T284 WeakPolarHBondContact OD1-CA 3.38Å; D282-T284 WeakPolarHBondContact OD1-CB 3.32Å; D282-T284 PolarHBondContact OD1-N 3.28Å; D282-T284 PolarHBondContact OD1-OG1 2.94Å
285	Y	96.3	Very high	97.5	Very high	94 Å²	94	52 Å²	52	37%	0.369	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-90.7	5.5	-179.5	-64	-78.1	0	0	0	113.9	S239 D282 I283 G287 V288 Y289	S239-Y285 WeakPolarHBondContact OG-CE2 3.45Å; D282-Y285 HydrophobicContact CB-CD2 4.06Å; D282-Y285 PolarHBondContact O-N 3.23Å; D282-Y285 WeakPolarHBondContact OD2-CD2 3.04Å; D282-Y285 VanDerWaalsContact OD2-CE2 3.28Å; D282-Y285 WeakPolarHBondContact OD2-CE2 3.28Å; I283-Y285 PolarHBondContact O-N 2.98Å; Y285-G287 VanDerWaalsContact C-N 3.28Å; Y285-G287 PolarHBondContact O-N 2.96Å; Y285-G287 VanDerWaalsContact O-N 3.17Å; Y285-V288 HydrophobicContact CD1-CG2 4.45Å; Y285-V288 WeakPolarHBondContact O-CB 3.44Å; Y285-V288 PolarHBondContact O-N 2.78Å; Y285-Y289 WeakPolarHBondContact O-CD2 3.36Å; Y285-Y289 PolarHBondContact O-N 2.63Å
286	Q	96.2	Very high	97.5	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-53.3	-42.1	-175.3	-180	173.5	-99.1	0	0	113.4	I283 V288 Y289 Q290 M384 L388	I283-Q286 HydrophobicContact CD1-CB 4.28Å; I283-Q286 VanDerWaalsContact O-CB 3.22Å; I283-Q286 WeakPolarHBondContact O-CB 3.49Å; I283-Q286 PolarHBondContact O-N 3.36Å; I283-Q286 VanDerWaalsContact O-N 3.09Å; Q286-V288 VanDerWaalsContact C-N 3.28Å; Q286-V288 PolarHBondContact O-N 3.08Å; Q286-Y289 PolarHBondContact O-N 3.12Å; Q286-Q290 HydrophobicContact CG-CG 4.15Å; Q286-Q290 WeakPolarHBondContact O-CB 3.45Å; Q286-Q290 WeakPolarHBondContact O-CG 3.42Å; Q286-Q290 PolarHBondContact O-N 3.19Å; Q286-M384 PolarHBondContact NE2-SD 3.2Å; Q286-L388 HydrophobicContact CG-CD1 4.22Å
287	G	96.8	Very high	97.5	Very high	42 Å²	42	46.7 Å²	46.7	43%	0.433	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-29.1	179	0	0	0	0	0	114	Y285 K291	Y285-G287 VanDerWaalsContact C-N 3.28Å; Y285-G287 PolarHBondContact O-N 2.96Å; Y285-G287 VanDerWaalsContact O-N 3.17Å; G287-K291 WeakPolarHBondContact O-CB 3.48Å; G287-K291 PolarHBondContact O-N 3.36Å; G287-K291 VanDerWaalsContact O-N 3.14Å
288	V	97.7	Very high	97.4	Very high	75 Å²	75	50.6 Å²	50.6	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-69.9	-51.6	176.3	-178.4	0	0	0	0	109.8	Y285 Q286 Q290 K291 Q292	Y285-V288 HydrophobicContact CD1-CG2 4.45Å; Y285-V288 WeakPolarHBondContact O-CB 3.44Å; Y285-V288 PolarHBondContact O-N 2.78Å; Q286-V288 VanDerWaalsContact C-N 3.28Å; Q286-V288 PolarHBondContact O-N 3.08Å; V288-Q290 PolarHBondContact O-N 3.36Å; V288-K291 PolarHBondContact O-N 3.3Å; V288-Q292 WeakPolarHBondContact O-CG 3.27Å; V288-Q292 PolarHBondContact O-N 2.7Å
289	Y	98.2	Very high	97.4	Very high	34 Å²	34	56.4 Å²	56.4	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-41.2	177.6	-70.4	-70.5	0	0	0	112.3	A280 Y285 Q286 K291 Q292 F293 L315 K322	A280-Y289 WeakPolarHBondContact CA-OH 3.33Å; A280-Y289 HydrophobicContact CB-CE1 3.88Å; A280-Y289 HydrophobicContact CB-CE2 3.92Å; A280-Y289 VanDerWaalsContact CB-CZ 3.49Å; A280-Y289 WeakPolarHBondContact CB-OH 3.36Å; Y285-Y289 WeakPolarHBondContact O-CD2 3.36Å; Y285-Y289 PolarHBondContact O-N 2.63Å; Q286-Y289 PolarHBondContact O-N 3.12Å; Y289-K291 PolarHBondContact O-N 2.85Å; Y289-Q292 PolarHBondContact O-N 3.31Å; Y289-F293 WeakPolarHBondContact O-CB 3.39Å; Y289-F293 PolarHBondContact O-N 2.98Å; Y289-L315 HydrophobicContact CD1-CD1 3.99Å; Y289-K322 HydrophobicContact CD2-CD 4.02Å; Y289-K322 HydrophobicContact CG-CD 4.15Å
290	Q	97.6	Very high	97.2	Very high	51 Å²	51	55.9 Å²	55.9	24%	0.238	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-44.7	174.4	-80.8	175.2	-7.8	0	0	112.4	Q286 V288 K294 L388	Q286-Q290 HydrophobicContact CG-CG 4.15Å; Q286-Q290 WeakPolarHBondContact O-CB 3.45Å; Q286-Q290 WeakPolarHBondContact O-CG 3.42Å; Q286-Q290 PolarHBondContact O-N 3.19Å; V288-Q290 PolarHBondContact O-N 3.36Å; Q290-K294 WeakPolarHBondContact O-CB 3.32Å; Q290-K294 PolarHBondContact O-N 3.42Å; Q290-L388 HydrophobicContact CG-CD1 3.57Å
291	K	98.1	Very high	97	Very high	141 Å²	141	61.5 Å²	61.5	61%	0.613	31%	0.308	S	S	*	.	H	α-helix	trans	-63.2	-53.8	177.6	-175.2	-172.3	173.5	-170.7	0	110.9	G287 V288 Y289 F293 K294 D295	G287-K291 WeakPolarHBondContact O-CB 3.48Å; G287-K291 PolarHBondContact O-N 3.36Å; G287-K291 VanDerWaalsContact O-N 3.14Å; V288-K291 PolarHBondContact O-N 3.3Å; Y289-K291 PolarHBondContact O-N 2.85Å; K291-F293 VanDerWaalsContact C-N 3.26Å; K291-F293 PolarHBondContact O-N 3.33Å; K291-K294 PolarHBondContact O-N 3.06Å; K291-K294 VanDerWaalsContact O-N 3.16Å; K291-D295 VanDerWaalsContact O-CG 3.3Å; K291-D295 PolarHBondContact O-N 3.48Å
292	Q	98.2	Very high	96.9	Very high	90 Å²	90	64.6 Å²	64.6	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-55.9	-42.4	179.7	-70.1	171.8	-17.3	0	0	111.8	V288 Y289 D295 L296 L315	V288-Q292 WeakPolarHBondContact O-CG 3.27Å; V288-Q292 PolarHBondContact O-N 2.7Å; Y289-Q292 PolarHBondContact O-N 3.31Å; Q292-D295 PolarHBondContact O-N 2.88Å; Q292-L296 WeakPolarHBondContact O-CB 3.3Å; Q292-L296 PolarHBondContact O-N 3.31Å; Q292-L315 HydrophobicContact CB-CD1 4.28Å; Q292-L315 HydrophobicContact CB-CD2 3.77Å
293	F	98.3	Very high	96.9	Very high	3 Å²	3	67.3 Å²	67.3	1%	0.013	35%	0.349	C	S	.	.	H	α-helix	trans	-71	-35.2	-179.6	-173	-108.3	0	0	0	113.1	Y289 K291 L296 T297 L315 I316 M319 W392 F395	Y289-F293 WeakPolarHBondContact O-CB 3.39Å; Y289-F293 PolarHBondContact O-N 2.98Å; K291-F293 VanDerWaalsContact C-N 3.26Å; K291-F293 PolarHBondContact O-N 3.33Å; F293-L296 HydrophobicContact CD2-CD2 4.36Å; F293-L296 PolarHBondContact O-N 3.5Å; F293-T297 WeakPolarHBondContact O-CB 3.08Å; F293-T297 PolarHBondContact O-N 3.06Å; F293-T297 PolarHBondContact O-OG1 3.23Å; F293-L315 HydrophobicContact CD2-CG 4.42Å; F293-I316 HydrophobicContact CE2-CG1 4.21Å; F293-M319 HydrophobicContact CB-CE 3.85Å; F293-M319 HydrophobicContact CB-CG 3.85Å; F293-M319 HydrophobicContact CB-SD 4.03Å; F293-M319 HydrophobicContact CD1-CE 3.67Å; F293-M319 HydrophobicContact CD1-CG 4.43Å; F293-M319 HydrophobicContact CD2-CB 3.99Å; F293-M319 HydrophobicContact CD2-CE 4.49Å; F293-M319 HydrophobicContact CD2-CG 3.58Å; F293-M319 HydrophobicContact CE1-CE 4.31Å; F293-M319 HydrophobicContact CE2-CB 4.07Å; F293-M319 HydrophobicContact CE2-CG 4.19Å; F293-M319 HydrophobicContact CG-CB 4.34Å; F293-M319 HydrophobicContact CG-CE 3.75Å; F293-M319 HydrophobicContact CG-CG 3.7Å; F293-M319 HydrophobicContact CG-SD 4.28Å; F293-M319 HydrophobicContact CZ-CB 4.5Å; F293-W392 AromaticContact CE1-CE3 3.8Å; F293-W392 HydrophobicContact CE1-CE3 3.8Å; F293-W392 HydrophobicContact CE1-CZ3 4.34Å; F293-W392 HydrophobicContact CE2-CE3 4.16Å; F293-W392 AromaticContact CE2-CZ3 3.86Å; F293-W392 HydrophobicContact CE2-CZ3 3.86Å; F293-W392 AromaticContact CZ-CE3 3.37Å; F293-W392 HydrophobicContact CZ-CE3 3.37Å; F293-W392 AromaticContact CZ-CZ3 3.48Å; F293-W392 HydrophobicContact CZ-CZ3 3.48Å; F293-W392 VanDerWaalsContact CZ-CZ3 3.48Å; F293-F395 HydrophobicContact CE1-CB 3.66Å; F293-F395 HydrophobicContact CE1-CG 4.17Å; F293-F395 HydrophobicContact CE2-CB 4.46Å; F293-F395 HydrophobicContact CE2-CD1 4.12Å; F293-F395 HydrophobicContact CE2-CD2 4.44Å; F293-F395 HydrophobicContact CE2-CG 4.09Å; F293-F395 HydrophobicContact CZ-CB 3.42Å; F293-F395 VanDerWaalsContact CZ-CB 3.42Å; F293-F395 AromaticContact CZ-CD1 3.55Å; F293-F395 HydrophobicContact CZ-CD1 3.55Å; F293-F395 HydrophobicContact CZ-CD2 4.13Å; F293-F395 HydrophobicContact CZ-CE1 4.35Å; F293-F395 AromaticContact CZ-CG 3.42Å; F293-F395 HydrophobicContact CZ-CG 3.42Å; F293-F395 VanDerWaalsContact CZ-CG 3.42Å
294	K	98.2	Very high	96.8	Very high	114 Å²	114	69.4 Å²	69.4	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-43.9	171.8	-176.6	171.2	-175	167.3	0	111.4	Q290 K291 T297 N298	Q290-K294 WeakPolarHBondContact O-CB 3.32Å; Q290-K294 PolarHBondContact O-N 3.42Å; K291-K294 PolarHBondContact O-N 3.06Å; K291-K294 VanDerWaalsContact O-N 3.16Å; K294-T297 PolarHBondContact O-N 3.35Å; K294-N298 VanDerWaalsContact O-CG 3.22Å; K294-N298 PolarHBondContact O-N 3.47Å; K294-N298 PolarHBondContact O-ND2 2.73Å; K294-N298 VanDerWaalsContact O-ND2 3.14Å
295	D	98.2	Very high	96.7	Very high	86 Å²	86	69.5 Å²	69.5	46%	0.46	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-43.7	177.2	-64.9	-22.8	0	0	0	110.8	K291 Q292 N298 Y299	K291-D295 VanDerWaalsContact O-CG 3.3Å; K291-D295 PolarHBondContact O-N 3.48Å; Q292-D295 PolarHBondContact O-N 2.88Å; D295-N298 PolarHBondContact O-N 2.97Å; D295-Y299 WeakPolarHBondContact O-CB 3.32Å; D295-Y299 PolarHBondContact O-N 3.17Å
296	L	97.9	Very high	96.6	Very high	18 Å²	18	68.5 Å²	68.5	9%	0.094	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-46.1	172.5	-179.1	71.4	0	0	0	112.5	Q292 F293 Y299 H300 D312 L315 I316	Q292-L296 WeakPolarHBondContact O-CB 3.3Å; Q292-L296 PolarHBondContact O-N 3.31Å; F293-L296 HydrophobicContact CD2-CD2 4.36Å; F293-L296 PolarHBondContact O-N 3.5Å; L296-Y299 PolarHBondContact O-N 3.29Å; L296-H300 VanDerWaalsContact CD1-CD2 3.47Å; L296-H300 WeakPolarHBondContact CD1-CD2 3.49Å; L296-H300 PolarHBondContact O-CD2 3.18Å; L296-H300 PolarHBondContact O-N 3.42Å; L296-D312 HydrophobicContact CD1-CB 3.68Å; L296-D312 VanDerWaalsContact CD1-CG 3.44Å; L296-D312 HydrophobicContact CD2-CB 4.25Å; L296-L315 HydrophobicContact CB-CD2 4.31Å; L296-L315 HydrophobicContact CD2-CD2 4.12Å; L296-L315 HydrophobicContact CD2-CG 4.48Å; L296-I316 HydrophobicContact CD2-CD1 4.1Å; L296-I316 HydrophobicContact CD2-CG1 3.83Å
297	T	97.2	Very high	96.5	Very high	4 Å²	4	73.2 Å²	73.2	3%	0.025	41%	0.405	C	S	.	.	H	α-helix	trans	-62.1	-47.5	-179.2	-60.7	0	0	0	0	110.7	F293 K294 Y299 H300 M301 F395	F293-T297 WeakPolarHBondContact O-CB 3.08Å; F293-T297 PolarHBondContact O-N 3.06Å; F293-T297 PolarHBondContact O-OG1 3.23Å; K294-T297 PolarHBondContact O-N 3.35Å; T297-Y299 VanDerWaalsContact C-N 3.32Å; T297-Y299 PolarHBondContact O-N 3.15Å; T297-H300 PolarHBondContact O-N 2.72Å; T297-M301 HydrophobicContact CG2-CG 4.38Å; T297-M301 HydrophobicContact CG2-SD 3.97Å; T297-M301 WeakPolarHBondContact O-CB 3.31Å; T297-M301 VanDerWaalsContact O-CG 3.28Å; T297-M301 WeakPolarHBondContact O-CG 3.46Å; T297-M301 PolarHBondContact O-N 3.19Å; T297-F395 HydrophobicContact CG2-CB 4.11Å; T297-F395 HydrophobicContact CG2-CD2 4.3Å
298	N	97.5	Very high	96.5	Very high	84 Å²	84	73 Å²	73	45%	0.449	39%	0.392	S	S	.	.	H	α-helix	trans	-59.9	-42	176.3	-67.7	-32	0	0	0	112	K294 D295 A302	K294-N298 VanDerWaalsContact O-CG 3.22Å; K294-N298 PolarHBondContact O-N 3.47Å; K294-N298 PolarHBondContact O-ND2 2.73Å; K294-N298 VanDerWaalsContact O-ND2 3.14Å; D295-N298 PolarHBondContact O-N 2.97Å; N298-A302 WeakPolarHBondContact O-CB 3.18Å; N298-A302 PolarHBondContact O-N 3.43Å
299	Y	97.3	Very high	96.5	Very high	121 Å²	121	72.8 Å²	72.8	48%	0.475	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-48.3	179.7	179.1	-95.4	0	0	0	112.3	D295 L296 T297 A302 N303 L306	D295-Y299 WeakPolarHBondContact O-CB 3.32Å; D295-Y299 PolarHBondContact O-N 3.17Å; L296-Y299 PolarHBondContact O-N 3.29Å; T297-Y299 VanDerWaalsContact C-N 3.32Å; T297-Y299 PolarHBondContact O-N 3.15Å; Y299-A302 PolarHBondContact O-N 3.32Å; Y299-N303 WeakPolarHBondContact O-CB 3.42Å; Y299-N303 PolarHBondContact O-N 3.3Å; Y299-N303 PolarHBondContact O-ND2 3.28Å; Y299-L306 HydrophobicContact CE1-CD1 4.15Å; Y299-L306 VanDerWaalsContact OH-CD1 3.26Å; Y299-L306 WeakPolarHBondContact OH-CD1 3.43Å
300	H	95.5	Very high	96.4	Very high	17 Å²	17	76.4 Å²	76.4	8%	0.079	41%	0.411	C	S	.	.	H	α-helix	trans	-75.5	-27.8	-179.9	-79.4	-76	0	0	0	113.3	L296 T297 A302 N303 P304 F308 D312	L296-H300 VanDerWaalsContact CD1-CD2 3.47Å; L296-H300 WeakPolarHBondContact CD1-CD2 3.49Å; L296-H300 PolarHBondContact O-CD2 3.18Å; L296-H300 PolarHBondContact O-N 3.42Å; T297-H300 PolarHBondContact O-N 2.72Å; H300-A302 VanDerWaalsContact C-N 3.32Å; H300-N303 CarbonylContact O-C 3.58Å; H300-N303 PolarHBondContact O-N 3.03Å; H300-P304 WeakPolarHBondContact O-CA 3.39Å; H300-F308 HydrophobicContact CB-CE1 4.02Å; H300-F308 HydrophobicContact CB-CZ 4.22Å; H300-F308 AromaticContact CD2-CD1 3.63Å; H300-F308 AromaticContact CD2-CE1 3.37Å; H300-F308 WeakPolarHBondContact CD2-CE1 3.33Å; H300-F308 AromaticContact CE1-CD1 3.6Å; H300-F308 AromaticContact CE1-CE1 3.84Å; H300-F308 AromaticContact CG-CD1 3.98Å; H300-F308 AromaticContact CG-CE1 3.43Å; H300-F308 VanDerWaalsContact CG-CE1 3.43Å; H300-F308 AromaticContact CG-CZ 3.95Å; H300-F308 AromaticContact ND1-CD1 3.98Å; H300-F308 AromaticContact ND1-CE1 3.75Å; H300-F308 AromaticContact NE2-CD1 3.36Å; H300-F308 WeakPolarHBondContact NE2-CD1 3.47Å; H300-F308 AromaticContact NE2-CE1 3.63Å; H300-D312 IonicContact CD2-OD2 3.96Å; H300-D312 IonicContact CE1-OD2 3.6Å; H300-D312 IonicContact NE2-OD2 2.84Å; H300-D312 PolarHBondContact NE2-OD2 3.25Å
301	M	93.6	Very high	96.4	Very high	118 Å²	118	78 Å²	78	58%	0.581	43%	0.428	S	S	*	.	H	α-helix	trans	-64.6	-36	167.8	-76.5	-177.3	68.8	0	0	112.4	T297	T297-M301 HydrophobicContact CG2-CG 4.38Å; T297-M301 HydrophobicContact CG2-SD 3.97Å; T297-M301 WeakPolarHBondContact O-CB 3.31Å; T297-M301 VanDerWaalsContact O-CG 3.28Å; T297-M301 WeakPolarHBondContact O-CG 3.46Å; T297-M301 PolarHBondContact O-N 3.19Å
302	A	96.6	Very high	96.4	Very high	74 Å²	74	72.5 Å²	72.5	61%	0.612	41%	0.405	S	S	*	.	H	α-helix	trans	-78.2	-25.9	175.7	0	0	0	0	0	113.2	N298 Y299 H300 P304	N298-A302 WeakPolarHBondContact O-CB 3.18Å; N298-A302 PolarHBondContact O-N 3.43Å; Y299-A302 PolarHBondContact O-N 3.32Å; H300-A302 VanDerWaalsContact C-N 3.32Å; A302-P304 VanDerWaalsContact C-CD 3.47Å
303	N	96.3	Very high	96.4	Very high	61 Å²	61	70.6 Å²	70.6	33%	0.326	39%	0.394	S	S	.	.			trans	-128.7	58.6	-175	-56.3	-87.7	0	0	0	112.4	Y299 H300 S305 L306	Y299-N303 WeakPolarHBondContact O-CB 3.42Å; Y299-N303 PolarHBondContact O-N 3.3Å; Y299-N303 PolarHBondContact O-ND2 3.28Å; H300-N303 CarbonylContact O-C 3.58Å; H300-N303 PolarHBondContact O-N 3.03Å; N303-S305 PolarHBondContact O-N 3.01Å; N303-L306 HydrophobicContact CB-CB 4.45Å; N303-L306 HydrophobicContact CB-CD1 3.67Å; N303-L306 HydrophobicContact CB-CG 3.99Å; N303-L306 PolarHBondContact O-N 3.36Å
304	P	92.3	Very high	96.4	Very high	112 Å²	112	72 Å²	72	73%	0.727	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-9	-168.6	27.7	-37.4	0	0	0	115.3	H300 A302	H300-P304 WeakPolarHBondContact O-CA 3.39Å; A302-P304 VanDerWaalsContact C-CD 3.47Å
305	S	93.2	Very high	96.4	Very high	112 Å²	112	67.5 Å²	67.5	78%	0.783	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.3	175.2	55.6	0	0	0	0	114.1	N303	N303-S305 PolarHBondContact O-N 3.01Å
306	L	94.3	Very high	96.5	Very high	73 Å²	73	63.4 Å²	63.4	38%	0.382	36%	0.361	S	S	.	.	S	Bend	trans	-84.8	136.3	179.7	-65.1	-177.6	0	0	0	111.2	Y299 N303	Y299-L306 HydrophobicContact CE1-CD1 4.15Å; Y299-L306 VanDerWaalsContact OH-CD1 3.26Å; Y299-L306 WeakPolarHBondContact OH-CD1 3.43Å; N303-L306 HydrophobicContact CB-CB 4.45Å; N303-L306 HydrophobicContact CB-CD1 3.67Å; N303-L306 HydrophobicContact CB-CG 3.99Å; N303-L306 PolarHBondContact O-N 3.36Å
307	P	94.5	Very high	96.5	Very high	108 Å²	108	62.8 Å²	62.8	70%	0.701	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-74.3	146	177.1	30.9	-34.7	0	0	0	111.5	T309	P307-T309 PolarHBondContact O-N 3.28Å
308	F	96.8	Very high	96.6	Very high	38 Å²	38	63.4 Å²	63.4	17%	0.167	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-63.3	125.2	172.4	-67.8	-79.3	0	0	0	111.7	I196 H300 D312 R313 I316 F395	I196-F308 HydrophobicContact CB-CD2 4.5Å; I196-F308 HydrophobicContact CD1-CD2 3.83Å; I196-F308 HydrophobicContact CD1-CE2 3.48Å; I196-F308 VanDerWaalsContact CD1-CE2 3.48Å; I196-F308 HydrophobicContact CD1-CZ 4.24Å; I196-F308 HydrophobicContact CG1-CD2 3.86Å; I196-F308 HydrophobicContact CG1-CE2 3.97Å; I196-F308 HydrophobicContact CG2-CB 4.18Å; I196-F308 HydrophobicContact CG2-CD2 3.81Å; I196-F308 HydrophobicContact CG2-CG 4.14Å; H300-F308 HydrophobicContact CB-CE1 4.02Å; H300-F308 HydrophobicContact CB-CZ 4.22Å; H300-F308 AromaticContact CD2-CD1 3.63Å; H300-F308 AromaticContact CD2-CE1 3.37Å; H300-F308 WeakPolarHBondContact CD2-CE1 3.33Å; H300-F308 AromaticContact CE1-CD1 3.6Å; H300-F308 AromaticContact CE1-CE1 3.84Å; H300-F308 AromaticContact CG-CD1 3.98Å; H300-F308 AromaticContact CG-CE1 3.43Å; H300-F308 VanDerWaalsContact CG-CE1 3.43Å; H300-F308 AromaticContact CG-CZ 3.95Å; H300-F308 AromaticContact ND1-CD1 3.98Å; H300-F308 AromaticContact ND1-CE1 3.75Å; H300-F308 AromaticContact NE2-CD1 3.36Å; H300-F308 WeakPolarHBondContact NE2-CD1 3.47Å; H300-F308 AromaticContact NE2-CE1 3.63Å; F308-D312 WeakPolarHBondContact CA-OD2 3.4Å; F308-D312 HydrophobicContact CB-CB 4.03Å; F308-D312 HydrophobicContact CD1-CB 3.95Å; F308-R313 HydrophobicContact CB-CG 3.8Å; F308-R313 PolarHBondContact O-NH1 3.1Å; F308-I316 HydrophobicContact CD1-CD1 3.59Å; F308-I316 HydrophobicContact CE1-CD1 3.76Å; F308-I316 HydrophobicContact CG-CD1 4.16Å; F308-I316 HydrophobicContact CZ-CD1 4.46Å; F308-F395 AromaticContact CE1-CE2 3.86Å; F308-F395 HydrophobicContact CE1-CE2 3.86Å; F308-F395 HydrophobicContact CE1-CZ 4.05Å; F308-F395 AromaticContact CZ-CE2 3.83Å; F308-F395 HydrophobicContact CZ-CE2 3.83Å; F308-F395 AromaticContact CZ-CZ 3.91Å; F308-F395 HydrophobicContact CZ-CZ 3.91Å
309	T	97.3	Very high	96.6	Very high	70 Å²	70	59.5 Å²	59.5	43%	0.429	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-66.9	167.7	175.6	84.3	0	0	0	0	111.8	P307 S311 D312 R313	P307-T309 PolarHBondContact O-N 3.28Å; T309-S311 PolarHBondContact O-N 3.25Å; T309-S311 PolarHBondContact OG1-N 3.3Å; T309-D312 VanDerWaalsContact N-CG 3.31Å; T309-D312 PolarHBondContact N-OD2 2.87Å; T309-D312 WeakPolarHBondContact O-CB 3.23Å; T309-D312 PolarHBondContact O-N 3.42Å; T309-D312 PolarHBondContact OG1-N 3.1Å; T309-D312 VanDerWaalsContact OG1-N 3.11Å; T309-D312 PolarHBondContact OG1-OD1 2.98Å; T309-R313 WeakPolarHBondContact O-CG 3.39Å; T309-R313 PolarHBondContact O-N 3.3Å
310	I	96.6	Very high	96.7	Very high	109 Å²	109	54 Å²	54	56%	0.559	32%	0.319	S	S	*	.	H	α-helix	trans	-58	-40.1	174.2	-62.6	169.4	0	0	0	110.7	F269 R313 L314	F269-I310 HydrophobicContact CE2-CG2 4.47Å; I310-R313 PolarHBondContact O-N 3.04Å; I310-L314 WeakPolarHBondContact O-CB 3.49Å; I310-L314 PolarHBondContact O-N 3.26Å
311	S	97.2	Very high	96.8	Very high	86 Å²	86	53.5 Å²	53.5	60%	0.601	32%	0.317	S	S	*	.	H	α-helix	trans	-66.6	-40	177	-57.2	0	0	0	0	112.1	T309 L314 L315	T309-S311 PolarHBondContact O-N 3.25Å; T309-S311 PolarHBondContact OG1-N 3.3Å; S311-L314 PolarHBondContact O-N 3.5Å; S311-L315 PolarHBondContact O-N 3.03Å
312	D	97.9	Very high	97	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.134	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-47.5	176.3	-55.1	4.9	0	0	0	110.4	L296 H300 F308 T309 L314 L315 I316	L296-D312 HydrophobicContact CD1-CB 3.68Å; L296-D312 VanDerWaalsContact CD1-CG 3.44Å; L296-D312 HydrophobicContact CD2-CB 4.25Å; H300-D312 IonicContact CD2-OD2 3.96Å; H300-D312 IonicContact CE1-OD2 3.6Å; H300-D312 IonicContact NE2-OD2 2.84Å; H300-D312 PolarHBondContact NE2-OD2 3.25Å; F308-D312 WeakPolarHBondContact CA-OD2 3.4Å; F308-D312 HydrophobicContact CB-CB 4.03Å; F308-D312 HydrophobicContact CD1-CB 3.95Å; T309-D312 VanDerWaalsContact N-CG 3.31Å; T309-D312 PolarHBondContact N-OD2 2.87Å; T309-D312 WeakPolarHBondContact O-CB 3.23Å; T309-D312 PolarHBondContact O-N 3.42Å; T309-D312 PolarHBondContact OG1-N 3.1Å; T309-D312 VanDerWaalsContact OG1-N 3.11Å; T309-D312 PolarHBondContact OG1-OD1 2.98Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 3.07Å; D312-L315 PolarHBondContact O-N 2.92Å; D312-I316 WeakPolarHBondContact O-CB 3.17Å; D312-I316 WeakPolarHBondContact O-CD1 3.31Å; D312-I316 VanDerWaalsContact O-CG1 3.24Å; D312-I316 WeakPolarHBondContact O-CG1 3.35Å; D312-I316 PolarHBondContact O-N 3.23Å
313	R	98.2	Very high	97.1	Very high	49 Å²	49	44.6 Å²	44.6	19%	0.185	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-37.7	179.1	-65.2	-163.6	-49.5	-84	0.4	111.8	I196 L197 E201 F308 T309 I310 I316 M317	I196-R313 HydrophobicContact CG2-CG 3.73Å; I196-R313 WeakPolarHBondContact O-CD 3.22Å; L197-R313 HydrophobicContact CD2-CB 4.06Å; L197-R313 HydrophobicContact CD2-CG 4.43Å; E201-R313 IonicContact OE1-CZ 3.24Å; E201-R313 VanDerWaalsContact OE1-CZ 3.24Å; E201-R313 IonicContact OE1-NE 2.86Å; E201-R313 PolarHBondContact OE1-NE 3.49Å; E201-R313 IonicContact OE1-NH2 2.75Å; E201-R313 PolarHBondContact OE1-NH2 3.34Å; E201-R313 IonicContact OE2-CZ 3.9Å; E201-R313 IonicContact OE2-NE 3.11Å; E201-R313 PolarHBondContact OE2-NE 3.24Å; E201-R313 VanDerWaalsContact OE2-NE 3.11Å; E201-R313 IonicContact OE2-NH2 3.78Å; F308-R313 HydrophobicContact CB-CG 3.8Å; F308-R313 PolarHBondContact O-NH1 3.1Å; T309-R313 WeakPolarHBondContact O-CG 3.39Å; T309-R313 PolarHBondContact O-N 3.3Å; I310-R313 PolarHBondContact O-N 3.04Å; R313-I316 PolarHBondContact O-N 3.35Å; R313-M317 VanDerWaalsContact O-CG 3.31Å; R313-M317 WeakPolarHBondContact O-CG 3.17Å; R313-M317 PolarHBondContact O-N 3.25Å
314	L	98.5	Very high	97.3	Very high	33 Å²	33	41.7 Å²	41.7	17%	0.173	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-47.9	172	178.6	62.7	0	0	0	111.8	K276 L277 I310 S311 D312 I316 M317 Q318	K276-L314 HydrophobicContact CB-CD1 4.21Å; K276-L314 HydrophobicContact CB-CD2 4.27Å; K276-L314 HydrophobicContact CD-CD2 3.64Å; L277-L314 HydrophobicContact CD2-CD1 4.41Å; L277-L314 HydrophobicContact CG-CD1 4.5Å; I310-L314 WeakPolarHBondContact O-CB 3.49Å; I310-L314 PolarHBondContact O-N 3.26Å; S311-L314 PolarHBondContact O-N 3.5Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 3.07Å; L314-I316 VanDerWaalsContact C-N 3.33Å; L314-I316 PolarHBondContact O-N 3.27Å; L314-M317 HydrophobicContact CB-CE 4.43Å; L314-M317 HydrophobicContact CD1-CE 4.14Å; L314-M317 PolarHBondContact O-N 3.44Å; L314-Q318 HydrophobicContact CD1-CG 4.46Å; L314-Q318 WeakPolarHBondContact O-CG 3.23Å; L314-Q318 PolarHBondContact O-N 3.43Å
315	L	98.5	Very high	97.6	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-39.6	177.2	178.5	58.9	0	0	0	111.9	Y289 Q292 F293 L296 S311 D312 Q318 M319	Y289-L315 HydrophobicContact CD1-CD1 3.99Å; Q292-L315 HydrophobicContact CB-CD1 4.28Å; Q292-L315 HydrophobicContact CB-CD2 3.77Å; F293-L315 HydrophobicContact CD2-CG 4.42Å; L296-L315 HydrophobicContact CB-CD2 4.31Å; L296-L315 HydrophobicContact CD2-CD2 4.12Å; L296-L315 HydrophobicContact CD2-CG 4.48Å; S311-L315 PolarHBondContact O-N 3.03Å; D312-L315 PolarHBondContact O-N 2.92Å; L315-Q318 PolarHBondContact O-N 3.36Å; L315-M319 HydrophobicContact CD1-CG 4.14Å; L315-M319 WeakPolarHBondContact O-CB 3.34Å; L315-M319 VanDerWaalsContact O-CG 3.25Å; L315-M319 WeakPolarHBondContact O-CG 3.32Å; L315-M319 PolarHBondContact O-N 3.12Å
316	I	98.4	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-43.5	174	-71.4	161.6	0	0	0	111.3	L193 F293 L296 F308 D312 R313 L314 M319 A320 W392 F395	L193-I316 HydrophobicContact CD2-CG2 3.25Å; F293-I316 HydrophobicContact CE2-CG1 4.21Å; L296-I316 HydrophobicContact CD2-CD1 4.1Å; L296-I316 HydrophobicContact CD2-CG1 3.83Å; F308-I316 HydrophobicContact CD1-CD1 3.59Å; F308-I316 HydrophobicContact CE1-CD1 3.76Å; F308-I316 HydrophobicContact CG-CD1 4.16Å; F308-I316 HydrophobicContact CZ-CD1 4.46Å; D312-I316 WeakPolarHBondContact O-CB 3.17Å; D312-I316 WeakPolarHBondContact O-CD1 3.31Å; D312-I316 VanDerWaalsContact O-CG1 3.24Å; D312-I316 WeakPolarHBondContact O-CG1 3.35Å; D312-I316 PolarHBondContact O-N 3.23Å; R313-I316 PolarHBondContact O-N 3.35Å; L314-I316 VanDerWaalsContact C-N 3.33Å; L314-I316 PolarHBondContact O-N 3.27Å; I316-M319 PolarHBondContact O-N 3.44Å; I316-A320 WeakPolarHBondContact O-CB 3.36Å; I316-A320 PolarHBondContact O-N 2.8Å; I316-W392 HydrophobicContact CG2-CH2 4.39Å; I316-F395 HydrophobicContact CD1-CE1 4.34Å; I316-F395 HydrophobicContact CD1-CE2 4.36Å; I316-F395 HydrophobicContact CD1-CZ 3.66Å; I316-F395 HydrophobicContact CG1-CE1 4.2Å; I316-F395 HydrophobicContact CG1-CZ 3.92Å; I316-F395 HydrophobicContact CG2-CE1 4.27Å
317	M	98.6	Very high	98	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-42.1	175.9	-69.5	-175.8	-66.2	0	0	112.1	L197 E201 S205 L277 R313 L314 M319 A320 L321	L197-M317 HydrophobicContact CD1-CG 4.04Å; L197-M317 HydrophobicContact CD2-CG 3.74Å; L197-M317 HydrophobicContact CD2-SD 4.16Å; E201-M317 HydrophobicContact CB-CE 4.18Å; E201-M317 HydrophobicContact CB-SD 3.58Å; E201-M317 VanDerWaalsContact CB-SD 3.58Å; E201-M317 HydrophobicContact CG-CE 3.95Å; E201-M317 HydrophobicContact CG-SD 4.05Å; E201-M317 VanDerWaalsContact O-SD 3.38Å; S205-M317 WeakPolarHBondContact OG-CG 3.42Å; S205-M317 PolarHBondContact OG-SD 3.38Å; L277-M317 HydrophobicContact CD2-CB 3.55Å; R313-M317 VanDerWaalsContact O-CG 3.31Å; R313-M317 WeakPolarHBondContact O-CG 3.17Å; R313-M317 PolarHBondContact O-N 3.25Å; L314-M317 HydrophobicContact CB-CE 4.43Å; L314-M317 HydrophobicContact CD1-CE 4.14Å; L314-M317 PolarHBondContact O-N 3.44Å; M317-M319 VanDerWaalsContact C-N 3.33Å; M317-M319 PolarHBondContact O-N 2.93Å; M317-A320 PolarHBondContact O-N 3.16Å; M317-L321 PolarHBondContact O-N 2.79Å
318	Q	98.8	Very high	98.2	Very high	18 Å²	18	24.4 Å²	24.4	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-46	173.8	-73.4	173.1	-40.9	0	0	110.9	K276 L277 A280 L314 L315 L321 K322	K276-Q318 PolarHBondContact O-NE2 2.97Å; L277-Q318 HydrophobicContact CD2-CB 4.45Å; L277-Q318 HydrophobicContact CD2-CG 3.85Å; A280-Q318 HydrophobicContact CB-CB 3.83Å; A280-Q318 HydrophobicContact CB-CG 3.68Å; L314-Q318 HydrophobicContact CD1-CG 4.46Å; L314-Q318 WeakPolarHBondContact O-CG 3.23Å; L314-Q318 PolarHBondContact O-N 3.43Å; L315-Q318 PolarHBondContact O-N 3.36Å; Q318-L321 PolarHBondContact O-N 2.86Å; Q318-K322 WeakPolarHBondContact O-CG 3.45Å; Q318-K322 PolarHBondContact O-N 3.26Å
319	M	98.5	Very high	98.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-69.1	-37.3	179.2	-71.2	-66.9	-61.7	0	0	112.8	F293 L315 I316 M317 L321 K322 C323 L388 W392	F293-M319 HydrophobicContact CB-CE 3.85Å; F293-M319 HydrophobicContact CB-CG 3.85Å; F293-M319 HydrophobicContact CB-SD 4.03Å; F293-M319 HydrophobicContact CD1-CE 3.67Å; F293-M319 HydrophobicContact CD1-CG 4.43Å; F293-M319 HydrophobicContact CD2-CB 3.99Å; F293-M319 HydrophobicContact CD2-CE 4.49Å; F293-M319 HydrophobicContact CD2-CG 3.58Å; F293-M319 HydrophobicContact CE1-CE 4.31Å; F293-M319 HydrophobicContact CE2-CB 4.07Å; F293-M319 HydrophobicContact CE2-CG 4.19Å; F293-M319 HydrophobicContact CG-CB 4.34Å; F293-M319 HydrophobicContact CG-CE 3.75Å; F293-M319 HydrophobicContact CG-CG 3.7Å; F293-M319 HydrophobicContact CG-SD 4.28Å; F293-M319 HydrophobicContact CZ-CB 4.5Å; L315-M319 HydrophobicContact CD1-CG 4.14Å; L315-M319 WeakPolarHBondContact O-CB 3.34Å; L315-M319 VanDerWaalsContact O-CG 3.25Å; L315-M319 WeakPolarHBondContact O-CG 3.32Å; L315-M319 PolarHBondContact O-N 3.12Å; I316-M319 PolarHBondContact O-N 3.44Å; M317-M319 VanDerWaalsContact C-N 3.33Å; M317-M319 PolarHBondContact O-N 2.93Å; M319-L321 VanDerWaalsContact C-N 3.32Å; M319-L321 PolarHBondContact O-N 3.15Å; M319-K322 PolarHBondContact O-N 3.41Å; M319-K322 HydrophobicContact SD-CD 4.49Å; M319-C323 VanDerWaalsContact O-CB 3.26Å; M319-C323 WeakPolarHBondContact O-CB 3.3Å; M319-C323 PolarHBondContact O-N 3.04Å; M319-C323 PolarHBondContact O-SG 2.85Å; M319-L388 HydrophobicContact CE-CD1 3.46Å; M319-L388 VanDerWaalsContact CE-CD1 3.46Å; M319-L388 HydrophobicContact CE-CG 4.32Å; M319-L388 HydrophobicContact SD-CD1 4.23Å; M319-W392 HydrophobicContact CB-CE3 4.13Å; M319-W392 HydrophobicContact CB-CZ3 3.81Å
320	A	98.5	Very high	98.3	Very high	5 Å²	5	19.3 Å²	19.3	4%	0.041	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-42.3	172.1	0	0	0	0	0	111.6	I316 M317 S324 W392	I316-A320 WeakPolarHBondContact O-CB 3.36Å; I316-A320 PolarHBondContact O-N 2.8Å; M317-A320 PolarHBondContact O-N 3.16Å; A320-S324 WeakPolarHBondContact O-CB 3.29Å; A320-S324 PolarHBondContact O-N 2.92Å; A320-S324 VanDerWaalsContact O-N 3.09Å; A320-S324 PolarHBondContact O-OG 3Å; A320-W392 HydrophobicContact CB-CH2 3.66Å; A320-W392 HydrophobicContact CB-CZ2 3.82Å
321	L	98.7	Very high	98.4	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-67.1	-51.1	176.5	-178.2	58.5	0	0	0	111.6	V180 V184 A208 A209 L277 T281 M317 Q318 M319 C323 S324 D325	V180-L321 HydrophobicContact CG1-CD1 3.8Å; V184-L321 HydrophobicContact CG2-CD1 4.21Å; A208-L321 HydrophobicContact CB-CD2 4.06Å; A209-L321 HydrophobicContact CB-CD1 3.95Å; L277-L321 HydrophobicContact CB-CD2 4.15Å; T281-L321 HydrophobicContact CG2-CD2 3.85Å; T281-L321 HydrophobicContact CG2-CG 3.88Å; M317-L321 PolarHBondContact O-N 2.79Å; Q318-L321 PolarHBondContact O-N 2.86Å; M319-L321 VanDerWaalsContact C-N 3.32Å; M319-L321 PolarHBondContact O-N 3.15Å; L321-C323 VanDerWaalsContact C-N 3.32Å; L321-C323 PolarHBondContact O-N 3.3Å; L321-S324 WeakPolarHBondContact O-CA 3.3Å; L321-S324 WeakPolarHBondContact O-CB 3.47Å; L321-S324 PolarHBondContact O-N 2.77Å; L321-D325 PolarHBondContact O-N 3.21Å
322	K	98.2	Very high	98.4	Very high	5 Å²	5	12.8 Å²	12.8	2%	0.022	6%	0.063	C	C	.	.	H	α-helix	trans	-56	-43.5	176.1	-70.4	-170.1	79.7	63.4	0	112.7	A280 T281 D282 Y289 Q318 M319 S324 I326 L388	A280-K322 WeakPolarHBondContact O-CD 3.42Å; A280-K322 WeakPolarHBondContact O-CE 3.47Å; A280-K322 WeakPolarHBondContact O-CG 3.43Å; A280-K322 PolarHBondContact O-NZ 3.48Å; T281-K322 PolarHBondContact O-NZ 2.88Å; D282-K322 PolarHBondContact O-NZ 2.89Å; Y289-K322 HydrophobicContact CD2-CD 4.02Å; Y289-K322 HydrophobicContact CG-CD 4.15Å; Q318-K322 WeakPolarHBondContact O-CG 3.45Å; Q318-K322 PolarHBondContact O-N 3.26Å; M319-K322 PolarHBondContact O-N 3.41Å; M319-K322 HydrophobicContact SD-CD 4.49Å; K322-S324 VanDerWaalsContact C-N 3.26Å; K322-S324 PolarHBondContact O-N 3.26Å; K322-I326 PolarHBondContact O-N 2.86Å; K322-L388 HydrophobicContact CB-CD2 4.03Å
323	C	98.5	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66	-30	177.4	-69.2	0	0	0	0	112.6	F187 M319 L321 S327 L389 W392	F187-C323 HydrophobicContact CE2-CB 3.85Å; F187-C323 HydrophobicContact CZ-CB 4.12Å; M319-C323 VanDerWaalsContact O-CB 3.26Å; M319-C323 WeakPolarHBondContact O-CB 3.3Å; M319-C323 PolarHBondContact O-N 3.04Å; M319-C323 PolarHBondContact O-SG 2.85Å; L321-C323 VanDerWaalsContact C-N 3.32Å; L321-C323 PolarHBondContact O-N 3.3Å; C323-S327 WeakPolarHBondContact O-CA 2.92Å; C323-S327 VanDerWaalsContact O-CB 3.25Å; C323-S327 WeakPolarHBondContact O-CB 3.41Å; C323-S327 PolarHBondContact O-N 3.35Å; C323-L389 HydrophobicContact CB-CD1 3.86Å; C323-L389 HydrophobicContact CB-CD2 4.31Å; C323-W392 HydrophobicContact CB-CG 4.33Å
324	S	98.7	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-76.4	-44.4	179.3	-63.4	0	0	0	0	112.1	V184 F187 A320 L321 K322 S327	V184-S324 WeakPolarHBondContact CG2-OG 3.21Å; V184-S324 PolarHBondContact N-OG 3.48Å; F187-S324 VanDerWaalsContact CD2-OG 3.28Å; F187-S324 WeakPolarHBondContact CD2-OG 3.38Å; F187-S324 VanDerWaalsContact CE2-OG 3.23Å; F187-S324 WeakPolarHBondContact CE2-OG 3.33Å; A320-S324 WeakPolarHBondContact O-CB 3.29Å; A320-S324 PolarHBondContact O-N 2.92Å; A320-S324 VanDerWaalsContact O-N 3.09Å; A320-S324 PolarHBondContact O-OG 3Å; L321-S324 WeakPolarHBondContact O-CA 3.3Å; L321-S324 WeakPolarHBondContact O-CB 3.47Å; L321-S324 PolarHBondContact O-N 2.77Å; K322-S324 VanDerWaalsContact C-N 3.26Å; K322-S324 PolarHBondContact O-N 3.26Å; S324-S327 WeakPolarHBondContact O-CB 3.33Å; S324-S327 PolarHBondContact O-N 3.36Å; S324-S327 PolarHBondContact O-OG 2.87Å
325	D	98.7	Very high	98.3	Very high	23 Å²	23	15.5 Å²	15.5	12%	0.123	8%	0.082	C	C	.	.	H	α-helix	trans	-55.4	-58	175.7	174.8	7.7	0	0	0	111	H176 L321 S327	H176-D325 PolarHBondContact NE2-O 2.9Å; H176-D325 IonicContact NE2-OD1 3.72Å; H176-D325 PolarHBondContact NE2-OD1 3.06Å; L321-D325 PolarHBondContact O-N 3.21Å; D325-S327 PolarHBondContact O-N 3.46Å; D325-S327 VanDerWaalsContact O-N 3.13Å
326	I	98.3	Very high	98.3	Very high	10 Å²	10	14.6 Å²	14.6	5%	0.051	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	12.4	179.5	77.9	175.7	0	0	0	114.3	I283 K322 N328 P329 F380 V385 L388 L389	I283-I326 HydrophobicContact CD1-CG2 4.4Å; K322-I326 PolarHBondContact O-N 2.86Å; I326-N328 PolarHBondContact O-N 2.79Å; I326-N328 VanDerWaalsContact O-N 3.16Å; I326-P329 VanDerWaalsContact O-CD 3.32Å; I326-P329 WeakPolarHBondContact O-CD 3.24Å; I326-F380 HydrophobicContact CB-CZ 3.91Å; I326-F380 HydrophobicContact CG2-CZ 4.09Å; I326-V385 HydrophobicContact CB-CG2 4.33Å; I326-V385 HydrophobicContact CD1-CB 4.38Å; I326-V385 HydrophobicContact CD1-CG2 4.1Å; I326-V385 HydrophobicContact CG1-CG2 4.28Å; I326-L388 HydrophobicContact CD1-CB 4.15Å; I326-L388 HydrophobicContact CD1-CD2 3.45Å; I326-L388 VanDerWaalsContact CD1-CD2 3.45Å; I326-L388 HydrophobicContact CD1-CG 4.43Å; I326-L388 HydrophobicContact CG1-CD2 3.9Å; I326-L389 HydrophobicContact CD1-CD2 4.47Å; I326-L389 HydrophobicContact CG1-CD2 4.18Å
327	S	98.4	Very high	98.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.9	-174.4	70.9	0	0	0	0	115.1	C323 S324 D325 C330	C323-S327 WeakPolarHBondContact O-CA 2.92Å; C323-S327 VanDerWaalsContact O-CB 3.25Å; C323-S327 WeakPolarHBondContact O-CB 3.41Å; C323-S327 PolarHBondContact O-N 3.35Å; S324-S327 WeakPolarHBondContact O-CB 3.33Å; S324-S327 PolarHBondContact O-N 3.36Å; S324-S327 PolarHBondContact O-OG 2.87Å; D325-S327 PolarHBondContact O-N 3.46Å; D325-S327 VanDerWaalsContact O-N 3.13Å; S327-C330 WeakPolarHBondContact O-CA 3.31Å; S327-C330 VanDerWaalsContact O-CB 3.26Å; S327-C330 WeakPolarHBondContact O-CB 3.28Å; S327-C330 PolarHBondContact O-N 3.15Å
328	N	98.6	Very high	98.3	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.053	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-54.1	-42.1	-169.1	-77.8	-151.5	0	0	0	113.7	Y171 I326 C330 R331 W339	Y171-N328 VanDerWaalsContact CE2-OD1 3.29Å; Y171-N328 WeakPolarHBondContact CE2-OD1 3.46Å; Y171-N328 PolarHBondContact OH-OD1 2.79Å; I326-N328 PolarHBondContact O-N 2.79Å; I326-N328 VanDerWaalsContact O-N 3.16Å; N328-C330 PolarHBondContact O-N 2.98Å; N328-R331 PolarHBondContact O-N 3.36Å; N328-W339 HydrophobicContact CB-CB 3.98Å; N328-W339 HydrophobicContact CB-CG 4.21Å; N328-W339 WeakPolarHBondContact OD1-CB 3.37Å
329	P	98.6	Very high	98.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-70.7	-7.1	174.4	-22.8	38.2	0	0	0	115.5	I326 F380 I381 V385 L408 N411	I326-P329 VanDerWaalsContact O-CD 3.32Å; I326-P329 WeakPolarHBondContact O-CD 3.24Å; P329-F380 HydrophobicContact CG-CD1 4.02Å; P329-F380 HydrophobicContact CG-CE1 3.94Å; P329-I381 HydrophobicContact CB-CD1 3.9Å; P329-I381 HydrophobicContact CB-CG1 3.6Å; P329-I381 HydrophobicContact CG-CG1 4Å; P329-V385 HydrophobicContact CG-CG2 4.19Å; P329-L408 HydrophobicContact CB-CD1 3.67Å; P329-N411 PolarHBondContact O-ND2 3.41Å
330	C	98.4	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-97	-0.9	175.6	-47.6	0	0	0	0	113.1	W114 S327 N328 I404 N407	W114-C330 HydrophobicContact CZ2-CB 4.17Å; W114-C330 PolarHBondContact NE1-O 2.98Å; S327-C330 WeakPolarHBondContact O-CA 3.31Å; S327-C330 VanDerWaalsContact O-CB 3.26Å; S327-C330 WeakPolarHBondContact O-CB 3.28Å; S327-C330 PolarHBondContact O-N 3.15Å; N328-C330 PolarHBondContact O-N 2.98Å; C330-I404 HydrophobicContact CB-CB 4.4Å; C330-I404 HydrophobicContact CB-CG2 3.64Å; C330-N407 WeakPolarHBondContact O-CB 3.3Å; C330-N407 PolarHBondContact O-ND2 3.36Å
331	R	98.2	Very high	98.2	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	11%	0.114	C	C	.	.	S	Bend	trans	-76.5	163.4	171.8	-58.9	-63.9	-166.9	171.1	1.3	110.4	W114 D179 N328 I335 N411	W114-R331 PolarHBondContact O-NH1 3.02Å; D179-R331 PolarHBondContact O-NH2 3Å; D179-R331 VanDerWaalsContact O-NH2 3.1Å; D179-R331 IonicContact OD1-CZ 3.96Å; D179-R331 IonicContact OD1-NE 2.6Å; D179-R331 IonicContact OD1-NH2 3.38Å; D179-R331 PolarHBondContact OD1-NH2 2.76Å; D179-R331 IonicContact OD2-CZ 3.41Å; D179-R331 IonicContact OD2-NE 2.67Å; D179-R331 PolarHBondContact OD2-NE 3.45Å; D179-R331 IonicContact OD2-NH2 3.05Å; D179-R331 PolarHBondContact OD2-NH2 3.14Å; N328-R331 PolarHBondContact O-N 3.36Å; R331-I335 HydrophobicContact CB-CB 3.94Å; R331-I335 HydrophobicContact CB-CG2 3.65Å; R331-I335 HydrophobicContact CG-CG2 3.87Å; R331-N411 PolarHBondContact O-ND2 3.07Å
332	I	97.4	Very high	98.2	Very high	56 Å²	56	25.4 Å²	25.4	29%	0.287	12%	0.124	S	C	.	.			trans	-58	146.7	173	58	169.1	0	0	0	111.5	D115 P334 I335 C336	D115-I332 HydrophobicContact CB-CG2 4.35Å; I332-P334 VanDerWaalsContact C-CD 3.46Å; I332-P334 VanDerWaalsContact O-N 3.07Å; I332-I335 HydrophobicContact CD1-CD1 4.06Å; I332-I335 HydrophobicContact CD1-CG1 4.41Å; I332-I335 HydrophobicContact CG1-CB 4.31Å; I332-I335 HydrophobicContact CG1-CD1 3.76Å; I332-I335 HydrophobicContact CG1-CG1 3.95Å; I332-I335 PolarHBondContact O-N 3.26Å; I332-C336 PolarHBondContact O-N 2.78Å
333	W	97.8	Very high	98.2	Very high	68 Å²	68	26.6 Å²	26.6	26%	0.258	13%	0.132	S	C	.	.	H	α-helix	trans	-44.7	-45	-168.9	177.6	-123.4	0	0	0	116.4	I335 C336 K337 N411 N414 W415	W333-I335 VanDerWaalsContact C-N 3.3Å; W333-I335 PolarHBondContact O-N 2.82Å; W333-C336 PolarHBondContact O-N 2.81Å; W333-K337 HydrophobicContact CH2-CD 4.27Å; W333-K337 HydrophobicContact CZ2-CD 3.72Å; W333-K337 VanDerWaalsContact O-CB 3.31Å; W333-K337 WeakPolarHBondContact O-CB 3.1Å; W333-K337 PolarHBondContact O-N 3.16Å; W333-N411 WeakPolarHBondContact CA-OD1 3.4Å; W333-N411 HydrophobicContact CE3-CB 4.24Å; W333-N411 HydrophobicContact CZ3-CB 4.48Å; W333-N414 HydrophobicContact CD2-CB 4.06Å; W333-N414 HydrophobicContact CE3-CB 3.86Å; W333-N414 HydrophobicContact CH2-CB 3.46Å; W333-N414 VanDerWaalsContact CH2-CB 3.46Å; W333-N414 HydrophobicContact CZ2-CB 3.66Å; W333-N414 HydrophobicContact CZ3-CB 3.56Å; W333-W415 AromaticContact CH2-CD2 3.76Å; W333-W415 HydrophobicContact CH2-CD2 3.76Å; W333-W415 AromaticContact CH2-CE2 3.76Å; W333-W415 AromaticContact CH2-CE3 3.87Å; W333-W415 HydrophobicContact CH2-CE3 3.87Å; W333-W415 HydrophobicContact CH2-CG 4.35Å; W333-W415 HydrophobicContact CH2-CH2 4.03Å; W333-W415 AromaticContact CH2-CZ2 3.9Å; W333-W415 HydrophobicContact CH2-CZ2 3.9Å; W333-W415 HydrophobicContact CH2-CZ3 4.01Å; W333-W415 AromaticContact CZ3-CD2 3.92Å; W333-W415 HydrophobicContact CZ3-CD2 3.92Å; W333-W415 AromaticContact CZ3-CE2 3.54Å; W333-W415 HydrophobicContact CZ3-CE3 4.47Å; W333-W415 HydrophobicContact CZ3-CG 4.29Å; W333-W415 HydrophobicContact CZ3-CH2 4.38Å; W333-W415 AromaticContact CZ3-CZ2 3.79Å; W333-W415 HydrophobicContact CZ3-CZ2 3.79Å; W333-W415 AromaticContact CZ3-NE1 3.69Å
334	P	97.4	Very high	98.1	Very high	92 Å²	92	26.7 Å²	26.7	60%	0.597	13%	0.133	S	C	*	.	H	α-helix	trans	-63.3	-33.5	178.7	-22.8	34.9	0	0	0	114	I332 E338	I332-P334 VanDerWaalsContact C-CD 3.46Å; I332-P334 VanDerWaalsContact O-N 3.07Å; P334-E338 WeakPolarHBondContact O-CB 3.41Å; P334-E338 PolarHBondContact O-N 2.75Å
335	I	97.7	Very high	98.1	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-78.7	-45.1	178.5	-61.7	179.8	0	0	0	109.4	N117 F119 R331 I332 W333 K337 E338 W339	N117-I335 HydrophobicContact CB-CD1 4.07Å; F119-I335 HydrophobicContact CD2-CG2 4.24Å; F119-I335 HydrophobicContact CE2-CG2 3.89Å; R331-I335 HydrophobicContact CB-CB 3.94Å; R331-I335 HydrophobicContact CB-CG2 3.65Å; R331-I335 HydrophobicContact CG-CG2 3.87Å; I332-I335 HydrophobicContact CD1-CD1 4.06Å; I332-I335 HydrophobicContact CD1-CG1 4.41Å; I332-I335 HydrophobicContact CG1-CB 4.31Å; I332-I335 HydrophobicContact CG1-CD1 3.76Å; I332-I335 HydrophobicContact CG1-CG1 3.95Å; I332-I335 PolarHBondContact O-N 3.26Å; W333-I335 VanDerWaalsContact C-N 3.3Å; W333-I335 PolarHBondContact O-N 2.82Å; I335-K337 VanDerWaalsContact C-N 3.33Å; I335-K337 PolarHBondContact O-N 3.44Å; I335-E338 PolarHBondContact O-N 3.05Å; I335-W339 PolarHBondContact O-N 3.36Å
336	C	98.4	Very high	98	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-54.6	-46.8	173	167.6	0	0	0	0	111.7	I332 W333 W339 A340	I332-C336 PolarHBondContact O-N 2.78Å; W333-C336 PolarHBondContact O-N 2.81Å; C336-W339 PolarHBondContact O-N 3.19Å; C336-A340 VanDerWaalsContact O-CB 3.23Å; C336-A340 WeakPolarHBondContact O-CB 3.27Å; C336-A340 PolarHBondContact O-N 3.15Å
337	K	97.9	Very high	98	Very high	64 Å²	64	30.1 Å²	30.1	28%	0.278	16%	0.155	S	C	.	.	H	α-helix	trans	-67.7	-40.6	-178.4	-170.1	160.6	-165.5	145.9	0	112.9	W333 I335 A340 I341 W415 D418	W333-K337 HydrophobicContact CH2-CD 4.27Å; W333-K337 HydrophobicContact CZ2-CD 3.72Å; W333-K337 VanDerWaalsContact O-CB 3.31Å; W333-K337 WeakPolarHBondContact O-CB 3.1Å; W333-K337 PolarHBondContact O-N 3.16Å; I335-K337 VanDerWaalsContact C-N 3.33Å; I335-K337 PolarHBondContact O-N 3.44Å; K337-A340 PolarHBondContact O-N 2.92Å; K337-I341 HydrophobicContact CG-CD1 4.22Å; K337-I341 WeakPolarHBondContact O-CD1 3.31Å; K337-I341 VanDerWaalsContact O-CG1 3.23Å; K337-I341 WeakPolarHBondContact O-CG1 3.41Å; K337-I341 PolarHBondContact O-N 3.22Å; K337-W415 HydrophobicContact CG-CH2 4.04Å; K337-D418 IonicContact NZ-OD2 2.68Å; K337-D418 PolarHBondContact NZ-OD2 2.9Å
338	E	98	Very high	97.9	Very high	58 Å²	58	31.4 Å²	31.4	27%	0.271	16%	0.16	S	C	.	.	H	α-helix	trans	-63	-45.8	174.7	175	71.1	-170.6	0	0	111.3	F119 P334 I335 I341 R342	F119-E338 HydrophobicContact CD1-CG 4.02Å; F119-E338 HydrophobicContact CD2-CB 4.41Å; F119-E338 HydrophobicContact CD2-CG 3.99Å; F119-E338 HydrophobicContact CE1-CG 3.57Å; F119-E338 HydrophobicContact CE2-CB 3.81Å; F119-E338 HydrophobicContact CE2-CG 3.5Å; F119-E338 VanDerWaalsContact CE2-CG 3.5Å; F119-E338 HydrophobicContact CG-CG 4.23Å; F119-E338 HydrophobicContact CZ-CB 3.98Å; F119-E338 HydrophobicContact CZ-CG 3.27Å; P334-E338 WeakPolarHBondContact O-CB 3.41Å; P334-E338 PolarHBondContact O-N 2.75Å; I335-E338 PolarHBondContact O-N 3.05Å; E338-I341 PolarHBondContact O-N 3.29Å; E338-R342 WeakPolarHBondContact O-CG 3.23Å; E338-R342 PolarHBondContact O-N 3.03Å; E338-R342 IonicContact OE1-CZ 3.22Å; E338-R342 VanDerWaalsContact OE1-CZ 3.26Å; E338-R342 IonicContact OE1-NE 3.69Å; E338-R342 PolarHBondContact OE1-NE 2.86Å; E338-R342 IonicContact OE1-NH2 2.76Å; E338-R342 PolarHBondContact OE1-NH2 2.62Å
339	W	98.6	Very high	97.8	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-43	175.1	-82	134.7	0	0	0	112.8	I118 F119 Y171 L175 H176 D179 N328 I335 C336 I341 R342 V343	I118-W339 HydrophobicContact CG2-CZ2 3.89Å; F119-W339 HydrophobicContact CE1-CD2 4.38Å; F119-W339 HydrophobicContact CE1-CH2 4.14Å; F119-W339 HydrophobicContact CE1-CZ2 4.01Å; F119-W339 HydrophobicContact CE1-CZ3 4.42Å; F119-W339 AromaticContact CE2-CD1 3.89Å; F119-W339 HydrophobicContact CE2-CD2 4.18Å; F119-W339 AromaticContact CE2-CE2 3.84Å; F119-W339 HydrophobicContact CE2-CG 4.17Å; F119-W339 HydrophobicContact CE2-CZ2 4.37Å; F119-W339 AromaticContact CE2-NE1 3.7Å; F119-W339 AromaticContact CZ-CD1 3.97Å; F119-W339 AromaticContact CZ-CD2 3.48Å; F119-W339 HydrophobicContact CZ-CD2 3.48Å; F119-W339 VanDerWaalsContact CZ-CD2 3.48Å; F119-W339 AromaticContact CZ-CE2 3.33Å; F119-W339 AromaticContact CZ-CE3 3.98Å; F119-W339 HydrophobicContact CZ-CE3 3.98Å; F119-W339 AromaticContact CZ-CG 3.85Å; F119-W339 HydrophobicContact CZ-CG 3.85Å; F119-W339 HydrophobicContact CZ-CH2 4.11Å; F119-W339 AromaticContact CZ-CZ2 3.67Å; F119-W339 HydrophobicContact CZ-CZ2 3.67Å; F119-W339 HydrophobicContact CZ-CZ3 4.27Å; F119-W339 AromaticContact CZ-NE1 3.69Å; Y171-W339 AromaticContact CD2-CE3 3.74Å; Y171-W339 HydrophobicContact CD2-CE3 3.74Å; Y171-W339 HydrophobicContact CD2-CZ3 4.13Å; Y171-W339 HydrophobicContact CE2-CD2 4.48Å; Y171-W339 AromaticContact CE2-CE3 3.74Å; Y171-W339 HydrophobicContact CE2-CE3 3.74Å; Y171-W339 HydrophobicContact CE2-CZ3 4.32Å; L175-W339 HydrophobicContact CB-CH2 4.32Å; L175-W339 HydrophobicContact CD2-CH2 4.32Å; L175-W339 HydrophobicContact CG-CH2 3.92Å; L175-W339 HydrophobicContact CG-CZ2 4.32Å; H176-W339 HydrophobicContact CB-CH2 3.94Å; H176-W339 HydrophobicContact CB-CZ3 4.07Å; H176-W339 AromaticContact CE1-CZ3 3.95Å; D179-W339 HydrophobicContact CB-CZ2 3.84Å; N328-W339 HydrophobicContact CB-CB 3.98Å; N328-W339 HydrophobicContact CB-CG 4.21Å; N328-W339 WeakPolarHBondContact OD1-CB 3.37Å; I335-W339 PolarHBondContact O-N 3.36Å; C336-W339 PolarHBondContact O-N 3.19Å; W339-I341 VanDerWaalsContact C-N 3.34Å; W339-I341 PolarHBondContact O-N 3.31Å; W339-R342 HydrophobicContact CE3-CB 4.38Å; W339-R342 WeakPolarHBondContact O-CB 3.2Å; W339-R342 PolarHBondContact O-N 3.45Å; W339-R342 VanDerWaalsContact O-N 3.15Å; W339-V343 PolarHBondContact O-N 3.4Å
340	A	98.3	Very high	97.7	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-40.9	176.6	0	0	0	0	0	112.4	C336 K337 V343 C344 L373 Q377 W415	C336-A340 VanDerWaalsContact O-CB 3.23Å; C336-A340 WeakPolarHBondContact O-CB 3.27Å; C336-A340 PolarHBondContact O-N 3.15Å; K337-A340 PolarHBondContact O-N 2.92Å; A340-V343 WeakPolarHBondContact O-CG1 3.32Å; A340-C344 WeakPolarHBondContact O-CB 3.36Å; A340-C344 PolarHBondContact O-N 3.18Å; A340-C344 VanDerWaalsContact O-N 3.12Å; A340-C344 PolarHBondContact O-SG 3.16Å; A340-L373 VanDerWaalsContact C-CD1 3.48Å; A340-L373 HydrophobicContact CB-CD1 3.85Å; A340-L373 WeakPolarHBondContact O-CD1 3.42Å; A340-Q377 VanDerWaalsContact CB-CD 3.48Å; A340-Q377 HydrophobicContact CB-CG 3.78Å; A340-W415 HydrophobicContact CB-CH2 3.87Å; A340-W415 HydrophobicContact CB-CZ2 3.47Å; A340-W415 VanDerWaalsContact CB-CZ2 3.47Å
341	I	98.1	Very high	97.6	Very high	72 Å²	72	33.5 Å²	33.5	37%	0.369	18%	0.175	S	C	.	.	H	α-helix	trans	-60.7	-47.8	173.2	-71.2	162.8	0	0	0	109.9	K337 E338 W339 C344 C345 L373	K337-I341 HydrophobicContact CG-CD1 4.22Å; K337-I341 WeakPolarHBondContact O-CD1 3.31Å; K337-I341 VanDerWaalsContact O-CG1 3.23Å; K337-I341 WeakPolarHBondContact O-CG1 3.41Å; K337-I341 PolarHBondContact O-N 3.22Å; E338-I341 PolarHBondContact O-N 3.29Å; W339-I341 VanDerWaalsContact C-N 3.34Å; W339-I341 PolarHBondContact O-N 3.31Å; I341-C344 PolarHBondContact O-N 3.39Å; I341-C345 VanDerWaalsContact O-CB 3.31Å; I341-C345 WeakPolarHBondContact O-CB 3.45Å; I341-C345 PolarHBondContact O-N 3.31Å; I341-C345 PolarHBondContact O-SG 3.47Å; I341-L373 HydrophobicContact CG1-CD2 3.73Å
342	R	98.3	Very high	97.5	Very high	65 Å²	65	35.3 Å²	35.3	25%	0.245	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-53.8	-179.6	-74.9	169.1	178.9	-87.5	-6.4	112.6	P170 Y171 E338 W339 C344 C345 E346	P170-R342 WeakPolarHBondContact CB-O 3.42Å; P170-R342 WeakPolarHBondContact O-CB 3.38Å; P170-R342 WeakPolarHBondContact O-CG 3.47Å; P170-R342 PolarHBondContact O-NH1 2.98Å; Y171-R342 HydrophobicContact CD2-CB 4.09Å; E338-R342 WeakPolarHBondContact O-CG 3.23Å; E338-R342 PolarHBondContact O-N 3.03Å; E338-R342 IonicContact OE1-CZ 3.22Å; E338-R342 VanDerWaalsContact OE1-CZ 3.26Å; E338-R342 IonicContact OE1-NE 3.69Å; E338-R342 PolarHBondContact OE1-NE 2.86Å; E338-R342 IonicContact OE1-NH2 2.76Å; E338-R342 PolarHBondContact OE1-NH2 2.62Å; W339-R342 HydrophobicContact CE3-CB 4.38Å; W339-R342 WeakPolarHBondContact O-CB 3.2Å; W339-R342 PolarHBondContact O-N 3.45Å; W339-R342 VanDerWaalsContact O-N 3.15Å; R342-C344 VanDerWaalsContact C-N 3.35Å; R342-C344 PolarHBondContact O-N 2.8Å; R342-C345 WeakPolarHBondContact O-CB 3.42Å; R342-C345 PolarHBondContact O-N 2.92Å; R342-E346 PolarHBondContact O-N 2.93Å
343	V	97.8	Very high	97.4	Very high	30 Å²	30	36.6 Å²	36.6	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-47.5	-179.7	70.5	0	0	0	0	110.2	Y171 W339 A340 C345 E346 L347	Y171-V343 HydrophobicContact CD1-CG2 4.41Å; Y171-V343 HydrophobicContact CD2-CB 3.55Å; Y171-V343 HydrophobicContact CD2-CG2 4.23Å; Y171-V343 HydrophobicContact CE2-CB 3.86Å; Y171-V343 HydrophobicContact CE2-CG2 4.39Å; Y171-V343 HydrophobicContact CG-CB 3.93Å; Y171-V343 HydrophobicContact CG-CG2 4.22Å; W339-V343 PolarHBondContact O-N 3.4Å; A340-V343 WeakPolarHBondContact O-CG1 3.32Å; V343-C345 VanDerWaalsContact C-N 3.34Å; V343-C345 PolarHBondContact O-N 3.1Å; V343-E346 WeakPolarHBondContact O-CA 3.38Å; V343-E346 WeakPolarHBondContact O-CB 3.38Å; V343-E346 PolarHBondContact O-N 3.27Å; V343-L347 HydrophobicContact CG2-CD2 4.47Å; V343-L347 HydrophobicContact CG2-CG 4.36Å; V343-L347 VanDerWaalsContact O-CG 3.32Å; V343-L347 WeakPolarHBondContact O-CG 3.43Å; V343-L347 PolarHBondContact O-N 3.44Å
344	C	97.5	Very high	97.3	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.02	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-33.3	-179.5	-61.6	0	0	0	0	112.7	A340 I341 R342 E346 L347 F348 L373 I376	A340-C344 WeakPolarHBondContact O-CB 3.36Å; A340-C344 PolarHBondContact O-N 3.18Å; A340-C344 VanDerWaalsContact O-N 3.12Å; A340-C344 PolarHBondContact O-SG 3.16Å; I341-C344 PolarHBondContact O-N 3.39Å; R342-C344 VanDerWaalsContact C-N 3.35Å; R342-C344 PolarHBondContact O-N 2.8Å; C344-E346 VanDerWaalsContact C-N 3.29Å; C344-E346 PolarHBondContact O-N 3.29Å; C344-L347 PolarHBondContact O-N 3.11Å; C344-F348 HydrophobicContact CB-CD2 4.49Å; C344-F348 HydrophobicContact CB-CE2 4.13Å; C344-F348 HydrophobicContact CB-CZ 4.39Å; C344-F348 VanDerWaalsContact O-CB 3.23Å; C344-F348 WeakPolarHBondContact O-CB 3.45Å; C344-F348 WeakPolarHBondContact O-CD2 3.26Å; C344-F348 WeakPolarHBondContact O-CG 3.32Å; C344-F348 PolarHBondContact O-N 3.48Å; C344-L373 HydrophobicContact CB-CD1 3.88Å; C344-L373 WeakPolarHBondContact SG-CD1 3.36Å; C344-I376 HydrophobicContact CB-CD1 4.46Å
345	C	97.4	Very high	97.2	Very high	59 Å²	59	31.9 Å²	31.9	40%	0.399	16%	0.156	S	C	.	.	H	α-helix	trans	-60.2	-39.6	170.4	-81.2	0	0	0	0	112	P170 I341 R342 V343 C349	P170-C345 HydrophobicContact CB-CB 3.93Å; P170-C345 HydrophobicContact CG-CB 4.17Å; I341-C345 VanDerWaalsContact O-CB 3.31Å; I341-C345 WeakPolarHBondContact O-CB 3.45Å; I341-C345 PolarHBondContact O-N 3.31Å; I341-C345 PolarHBondContact O-SG 3.47Å; R342-C345 WeakPolarHBondContact O-CB 3.42Å; R342-C345 PolarHBondContact O-N 2.92Å; V343-C345 VanDerWaalsContact C-N 3.34Å; V343-C345 PolarHBondContact O-N 3.1Å; C345-C349 WeakPolarHBondContact O-CB 3.37Å; C345-C349 PolarHBondContact O-N 3.45Å; C345-C349 PolarHBondContact O-SG 3.2Å
346	E	97.8	Very high	97.1	Very high	7 Å²	7	39 Å²	39	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-70.4	-47.2	176.7	-163.1	164.1	132.8	0	0	112.2	N169 P170 Y171 H172 H216 G218 R342 V343 C344 F348 C349 Q350	N169-E346 WeakPolarHBondContact CB-OE2 2.99Å; P170-E346 HydrophobicContact CB-CB 4.16Å; P170-E346 WeakPolarHBondContact CD-OE2 3.5Å; P170-E346 HydrophobicContact CG-CB 4.06Å; Y171-E346 WeakPolarHBondContact CA-OE2 3.45Å; Y171-E346 WeakPolarHBondContact CB-OE2 3.47Å; Y171-E346 PolarHBondContact N-OE2 3.22Å; H172-E346 IonicContact CE1-OE1 2.68Å; H172-E346 IonicContact CG-OE1 3.3Å; H172-E346 PolarHBondContact N-OE2 3.2Å; H172-E346 IonicContact ND1-OE1 2.86Å; H172-E346 PolarHBondContact ND1-OE1 3.37Å; H172-E346 IonicContact ND1-OE2 3.21Å; H216-E346 IonicContact CE1-OE1 2.75Å; H216-E346 IonicContact ND1-OE1 3.22Å; G218-E346 VanDerWaalsContact CA-OE1 3.25Å; G218-E346 WeakPolarHBondContact CA-OE1 3.13Å; R342-E346 PolarHBondContact O-N 2.93Å; V343-E346 WeakPolarHBondContact O-CA 3.38Å; V343-E346 WeakPolarHBondContact O-CB 3.38Å; V343-E346 PolarHBondContact O-N 3.27Å; C344-E346 VanDerWaalsContact C-N 3.29Å; C344-E346 PolarHBondContact O-N 3.29Å; E346-F348 VanDerWaalsContact C-N 3.27Å; E346-F348 PolarHBondContact O-N 3.49Å; E346-C349 WeakPolarHBondContact O-CA 3.23Å; E346-C349 WeakPolarHBondContact O-CB 3.43Å; E346-C349 PolarHBondContact O-N 3.23Å; E346-Q350 PolarHBondContact O-N 3.1Å
347	L	96.8	Very high	96.8	Very high	38 Å²	38	44.8 Å²	44.8	20%	0.199	21%	0.214	C	C	.	.	H	α-helix	trans	-52.8	-45.9	173.1	-62.6	-166.3	0	0	0	111.5	V343 C344 Q350 G351 M366 I376	V343-L347 HydrophobicContact CG2-CD2 4.47Å; V343-L347 HydrophobicContact CG2-CG 4.36Å; V343-L347 VanDerWaalsContact O-CG 3.32Å; V343-L347 WeakPolarHBondContact O-CG 3.43Å; V343-L347 PolarHBondContact O-N 3.44Å; C344-L347 PolarHBondContact O-N 3.11Å; L347-Q350 WeakPolarHBondContact O-CB 3.31Å; L347-Q350 PolarHBondContact O-N 2.67Å; L347-G351 PolarHBondContact O-N 2.73Å; L347-M366 VanDerWaalsContact CA-SD 3.53Å; L347-M366 HydrophobicContact CB-SD 3.45Å; L347-M366 WeakPolarHBondContact CB-SD 3.42Å; L347-M366 HydrophobicContact CD1-SD 4.35Å; L347-M366 HydrophobicContact CD2-CE 3.79Å; L347-M366 HydrophobicContact CD2-SD 3.64Å; L347-M366 HydrophobicContact CG-SD 3.95Å; L347-M366 VanDerWaalsContact O-SD 3.42Å; L347-I376 HydrophobicContact CD1-CG2 4.32Å
348	F	97.2	Very high	96.5	Very high	27 Å²	27	46.5 Å²	46.5	12%	0.118	22%	0.219	C	C	.	.	H	α-helix	trans	-72.6	-25.2	178.3	-62.6	-22.6	0	0	0	113.5	C344 E346 D352 M366 R368 I376	C344-F348 HydrophobicContact CB-CD2 4.49Å; C344-F348 HydrophobicContact CB-CE2 4.13Å; C344-F348 HydrophobicContact CB-CZ 4.39Å; C344-F348 VanDerWaalsContact O-CB 3.23Å; C344-F348 WeakPolarHBondContact O-CB 3.45Å; C344-F348 WeakPolarHBondContact O-CD2 3.26Å; C344-F348 WeakPolarHBondContact O-CG 3.32Å; C344-F348 PolarHBondContact O-N 3.48Å; E346-F348 VanDerWaalsContact C-N 3.27Å; E346-F348 PolarHBondContact O-N 3.49Å; F348-D352 WeakPolarHBondContact O-CB 3.39Å; F348-D352 VanDerWaalsContact O-CG 3.27Å; F348-D352 PolarHBondContact O-N 3.47Å; F348-M366 WeakPolarHBondContact CD1-O 3.42Å; F348-R368 HydrophobicContact CB-CB 4.02Å; F348-R368 HydrophobicContact CD1-CB 3.85Å; F348-R368 HydrophobicContact CD2-CB 3.78Å; F348-R368 HydrophobicContact CE1-CB 4.2Å; F348-R368 HydrophobicContact CE2-CB 4.14Å; F348-R368 HydrophobicContact CG-CB 3.62Å; F348-R368 HydrophobicContact CZ-CB 4.34Å; F348-R368 PolarHBondContact O-NH2 2.9Å; F348-I376 HydrophobicContact CE1-CD1 3.65Å; F348-I376 HydrophobicContact CZ-CD1 3.68Å
349	C	96.2	Very high	96.3	Very high	51 Å²	51	49 Å²	49	35%	0.345	24%	0.243	S	C	.	.	H	α-helix	trans	-71.5	-38.9	170.2	-79.5	0	0	0	0	111.3	C345 E346 D352 R353	C345-C349 WeakPolarHBondContact O-CB 3.37Å; C345-C349 PolarHBondContact O-N 3.45Å; C345-C349 PolarHBondContact O-SG 3.2Å; E346-C349 WeakPolarHBondContact O-CA 3.23Å; E346-C349 WeakPolarHBondContact O-CB 3.43Å; E346-C349 PolarHBondContact O-N 3.23Å; C349-D352 PolarHBondContact O-N 3.07Å; C349-R353 WeakPolarHBondContact O-CG 3.34Å; C349-R353 PolarHBondContact O-N 3.02Å; C349-R353 VanDerWaalsContact O-N 3.07Å
350	Q	96.6	Very high	96	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.019	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-50	169.9	177.7	178.9	-42	0	0	110.8	V219 N220 Y223 E346 L347 D352 R353 E354	V219-Q350 VanDerWaalsContact CA-OE1 3.31Å; V219-Q350 HydrophobicContact CB-CG 4.43Å; V219-Q350 HydrophobicContact CG1-CB 4.19Å; V219-Q350 HydrophobicContact CG1-CG 4.06Å; N220-Q350 PolarHBondContact OD1-NE2 3.29Å; N220-Q350 PolarHBondContact OD1-OE1 2.85Å; Y223-Q350 HydrophobicContact CD2-CG 3.79Å; Y223-Q350 HydrophobicContact CE2-CG 4.5Å; Y223-Q350 HydrophobicContact CG-CG 4.32Å; E346-Q350 PolarHBondContact O-N 3.1Å; L347-Q350 WeakPolarHBondContact O-CB 3.31Å; L347-Q350 PolarHBondContact O-N 2.67Å; Q350-D352 VanDerWaalsContact C-N 3.28Å; Q350-D352 PolarHBondContact O-N 3.46Å; Q350-R353 WeakPolarHBondContact O-CA 3.43Å; Q350-R353 WeakPolarHBondContact O-CB 3.25Å; Q350-R353 PolarHBondContact O-N 3.07Å; Q350-E354 HydrophobicContact CG-CG 4.36Å; Q350-E354 PolarHBondContact O-N 3.21Å
351	G	96.6	Very high	95.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-33.1	-179.7	0	0	0	0	0	113.8	L347 R355 P362	L347-G351 PolarHBondContact O-N 2.73Å; G351-R355 WeakPolarHBondContact O-CB 3.28Å; G351-R355 PolarHBondContact O-N 3.02Å; G351-P362 WeakPolarHBondContact O-CG 3.35Å
352	D	96.5	Very high	95.4	Very high	40 Å²	40	55.6 Å²	55.6	21%	0.214	27%	0.274	C	S	.	.	H	α-helix	trans	-67.9	-38.8	171.2	-75.2	3.1	0	0	0	112	F348 C349 Q350 R355 F356 R368	F348-D352 WeakPolarHBondContact O-CB 3.39Å; F348-D352 VanDerWaalsContact O-CG 3.27Å; F348-D352 PolarHBondContact O-N 3.47Å; C349-D352 PolarHBondContact O-N 3.07Å; Q350-D352 VanDerWaalsContact C-N 3.28Å; Q350-D352 PolarHBondContact O-N 3.46Å; D352-R355 IonicContact OD1-NH1 2.67Å; D352-F356 HydrophobicContact CB-CD2 4.03Å; D352-F356 HydrophobicContact CB-CE2 4.25Å; D352-F356 WeakPolarHBondContact O-CB 3.37Å; D352-F356 WeakPolarHBondContact O-CD2 3.24Å; D352-F356 PolarHBondContact O-N 3.32Å; D352-R368 VanDerWaalsContact CG-NE 3.32Å; D352-R368 IonicContact OD1-CZ 3.61Å; D352-R368 IonicContact OD1-NE 2.68Å; D352-R368 PolarHBondContact OD1-NE 3.37Å; D352-R368 IonicContact OD1-NH2 2.8Å; D352-R368 IonicContact OD2-CZ 3.34Å; D352-R368 IonicContact OD2-NE 3.75Å; D352-R368 PolarHBondContact OD2-NE 3.15Å; D352-R368 IonicContact OD2-NH1 3.09Å; D352-R368 IonicContact OD2-NH2 2.91Å; D352-R368 PolarHBondContact OD2-NH2 3.09Å
353	R	95.5	Very high	95	Very high	83 Å²	83	55.5 Å²	55.5	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-49.2	173.7	-68.6	170.2	-173.8	176.3	2	111.3	Y223 C349 Q350 R355 Q357 W358	Y223-R353 HydrophobicContact CE2-CB 3.92Å; C349-R353 WeakPolarHBondContact O-CG 3.34Å; C349-R353 PolarHBondContact O-N 3.02Å; C349-R353 VanDerWaalsContact O-N 3.07Å; Q350-R353 WeakPolarHBondContact O-CA 3.43Å; Q350-R353 WeakPolarHBondContact O-CB 3.25Å; Q350-R353 PolarHBondContact O-N 3.07Å; R353-R355 VanDerWaalsContact C-N 3.3Å; R353-R355 PolarHBondContact O-N 3.45Å; R353-Q357 VanDerWaalsContact O-CB 3.28Å; R353-Q357 WeakPolarHBondContact O-CB 3.26Å; R353-Q357 PolarHBondContact O-N 3.35Å; R353-W358 PolarHBondContact O-N 3.24Å
354	E	95.8	Very high	94.6	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-50.6	-52	175.3	-74.5	-178.3	126.9	0	0	110.1	Y223 K226 Q350 W358 S359 L360 P362	Y223-E354 HydrophobicContact CD2-CG 3.73Å; Y223-E354 HydrophobicContact CE2-CG 4.16Å; K226-E354 IonicContact NZ-OE1 3.65Å; K226-E354 PolarHBondContact NZ-OE1 2.92Å; Q350-E354 HydrophobicContact CG-CG 4.36Å; Q350-E354 PolarHBondContact O-N 3.21Å; E354-W358 CarbonylContact O-C 3.6Å; E354-W358 PolarHBondContact O-N 2.83Å; E354-S359 PolarHBondContact O-N 3.43Å; E354-L360 CarbonylContact C-O 3.52Å; E354-L360 HydrophobicContact CB-CB 4.13Å; E354-L360 PolarHBondContact O-N 3.19Å; E354-P362 HydrophobicContact CB-CG 4.17Å; E354-P362 WeakPolarHBondContact OE2-CA 3.26Å
355	R	95	Very high	94.2	Very high	61 Å²	61	59.2 Å²	59.2	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-52.4	-178.5	-175.7	-175.3	-68	127.8	-5.8	114.2	G351 D352 R353 S359 L360 P362 D367	G351-R355 WeakPolarHBondContact O-CB 3.28Å; G351-R355 PolarHBondContact O-N 3.02Å; D352-R355 IonicContact OD1-NH1 2.67Å; R353-R355 VanDerWaalsContact C-N 3.3Å; R353-R355 PolarHBondContact O-N 3.45Å; R355-S359 WeakPolarHBondContact O-CA 3.5Å; R355-L360 WeakPolarHBondContact CA-O 3.28Å; R355-P362 HydrophobicContact CB-CG 3.99Å; R355-D367 IonicContact CZ-OD1 3.74Å; R355-D367 IonicContact NH2-OD1 3.04Å; R355-D367 PolarHBondContact NH2-OD1 3.49Å; R355-D367 IonicContact NH2-OD2 2.94Å; R355-D367 PolarHBondContact NH2-OD2 3.48Å
356	F	94.9	Very high	94	Very high	153 Å²	153	56.9 Å²	56.9	67%	0.671	29%	0.285	S	S	*	.	H	α-helix	trans	-97.1	-22.8	-164.5	-60.7	-60.1	0	0	0	114.5	D352	D352-F356 HydrophobicContact CB-CD2 4.03Å; D352-F356 HydrophobicContact CB-CE2 4.25Å; D352-F356 WeakPolarHBondContact O-CB 3.37Å; D352-F356 WeakPolarHBondContact O-CD2 3.24Å; D352-F356 PolarHBondContact O-N 3.32Å
357	Q	93.1	Very high	93.8	Very high	122 Å²	122	56.6 Å²	56.6	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-97.9	-39.9	178.1	-176.5	177.3	-18.7	0	0	111.7	R353	R353-Q357 VanDerWaalsContact O-CB 3.28Å; R353-Q357 WeakPolarHBondContact O-CB 3.26Å; R353-Q357 PolarHBondContact O-N 3.35Å
358	W	91.8	Very high	93.7	Very high	100 Å²	100	60.1 Å²	60.1	38%	0.379	29%	0.294	S	S	.	.	S	Bend	trans	-110.4	-4.1	-172.8	-57.2	104.3	0	0	0	114.5	Y223 T227 R353 E354 L360	Y223-W358 AromaticContact CZ-NE1 3.61Å; Y223-W358 PolarHBondContact OH-NE1 2.78Å; T227-W358 HydrophobicContact CG2-CD2 3.77Å; T227-W358 HydrophobicContact CG2-CE3 4.38Å; T227-W358 HydrophobicContact CG2-CG 3.99Å; T227-W358 HydrophobicContact CG2-CZ2 3.93Å; R353-W358 PolarHBondContact O-N 3.24Å; E354-W358 CarbonylContact O-C 3.6Å; E354-W358 PolarHBondContact O-N 2.83Å; W358-L360 HydrophobicContact CB-CD1 3.72Å; W358-L360 HydrophobicContact CB-CG 3.76Å; W358-L360 HydrophobicContact CG-CD1 4.45Å; W358-L360 PolarHBondContact O-N 2.89Å
359	S	93.1	Very high	93.3	Very high	112 Å²	112	64 Å²	64	78%	0.783	32%	0.32	S	S	*	.			trans	56.7	25.2	-174.6	-52.8	0	0	0	0	114.3	E354 R355	E354-S359 PolarHBondContact O-N 3.43Å; R355-S359 WeakPolarHBondContact O-CA 3.5Å
360	L	92.5	Very high	93	Very high	57 Å²	57	66.2 Å²	66.2	30%	0.298	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-85.7	149.6	176.9	-61.4	171.7	0	0	0	110.4	K226 E354 R355 W358 P362	K226-L360 HydrophobicContact CB-CD1 3.91Å; K226-L360 HydrophobicContact CD-CD1 4.19Å; E354-L360 CarbonylContact C-O 3.52Å; E354-L360 HydrophobicContact CB-CB 4.13Å; E354-L360 PolarHBondContact O-N 3.19Å; R355-L360 WeakPolarHBondContact CA-O 3.28Å; W358-L360 HydrophobicContact CB-CD1 3.72Å; W358-L360 HydrophobicContact CB-CG 3.76Å; W358-L360 HydrophobicContact CG-CD1 4.45Å; W358-L360 PolarHBondContact O-N 2.89Å; L360-P362 WeakPolarHBondContact O-CD 3.03Å
361	Q	92	Very high	92.7	Very high	150 Å²	150	67.8 Å²	67.8	70%	0.701	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-75.6	120.8	167.5	-82.8	-73.2	-20.8	0	0	109.6
362	P	91.1	Very high	92.4	Very high	6 Å²	6	71 Å²	71	4%	0.039	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-65.9	141.9	173.5	-20.1	34.8	0	0	0	110.6	G351 E354 R355 L360 M366 D367	G351-P362 WeakPolarHBondContact O-CG 3.35Å; E354-P362 HydrophobicContact CB-CG 4.17Å; E354-P362 WeakPolarHBondContact OE2-CA 3.26Å; R355-P362 HydrophobicContact CB-CG 3.99Å; L360-P362 WeakPolarHBondContact O-CD 3.03Å; P362-M366 HydrophobicContact CB-CB 4.29Å; P362-D367 HydrophobicContact CB-CB 4.37Å
363	I	89.5	Confident	92.3	Very high	63 Å²	63	71 Å²	71	32%	0.323	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-62.9	150	170.6	66.7	174.9	0	0	0	109.5	T365 M366 D367	I363-T365 VanDerWaalsContact C-N 3.26Å; I363-T365 PolarHBondContact O-N 2.92Å; I363-M366 HydrophobicContact CD1-CE 4.06Å; I363-M366 HydrophobicContact CD1-CG 3.98Å; I363-M366 HydrophobicContact CG1-CB 4.17Å; I363-M366 HydrophobicContact CG1-CG 3.42Å; I363-M366 VanDerWaalsContact CG1-CG 3.42Å; I363-M366 PolarHBondContact O-N 2.98Å; I363-D367 PolarHBondContact O-N 3.08Å
364	P	89.2	Confident	92.3	Very high	59 Å²	59	67.4 Å²	67.4	38%	0.383	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-57.7	-32.8	-164.9	-27.8	35.4	0	0	0	115.6	M366 D367 F371	P364-M366 VanDerWaalsContact C-N 3.33Å; P364-M366 PolarHBondContact O-N 2.96Å; P364-D367 PolarHBondContact O-N 3.36Å; P364-F371 HydrophobicContact CB-CD2 3.93Å; P364-F371 HydrophobicContact CB-CE2 3.44Å; P364-F371 VanDerWaalsContact CB-CE2 3.44Å; P364-F371 HydrophobicContact CB-CZ 4.16Å; P364-F371 WeakPolarHBondContact O-CD2 3.46Å; P364-F371 WeakPolarHBondContact O-CG 3.35Å
365	T	90.6	Very high	92.3	Very high	52 Å²	52	73.6 Å²	73.6	32%	0.319	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-71.2	-22.3	176.9	46.3	0	0	0	0	114.3	I363 F371 I376	I363-T365 VanDerWaalsContact C-N 3.26Å; I363-T365 PolarHBondContact O-N 2.92Å; T365-F371 HydrophobicContact CG2-CD1 4.21Å; T365-F371 HydrophobicContact CG2-CE1 4.05Å; T365-I376 WeakPolarHBondContact O-CD1 3.04Å
366	M	93.2	Very high	92.3	Very high	9 Å²	9	71.5 Å²	71.5	4%	0.044	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-88.6	-10.7	173.6	-53.6	-63.1	-179	0	0	111.7	N220 L347 F348 P362 I363 P364 R368	N220-M366 WeakPolarHBondContact ND2-CE 3.5Å; L347-M366 VanDerWaalsContact CA-SD 3.53Å; L347-M366 HydrophobicContact CB-SD 3.45Å; L347-M366 WeakPolarHBondContact CB-SD 3.42Å; L347-M366 HydrophobicContact CD1-SD 4.35Å; L347-M366 HydrophobicContact CD2-CE 3.79Å; L347-M366 HydrophobicContact CD2-SD 3.64Å; L347-M366 HydrophobicContact CG-SD 3.95Å; L347-M366 VanDerWaalsContact O-SD 3.42Å; F348-M366 WeakPolarHBondContact CD1-O 3.42Å; P362-M366 HydrophobicContact CB-CB 4.29Å; I363-M366 HydrophobicContact CD1-CE 4.06Å; I363-M366 HydrophobicContact CD1-CG 3.98Å; I363-M366 HydrophobicContact CG1-CB 4.17Å; I363-M366 HydrophobicContact CG1-CG 3.42Å; I363-M366 VanDerWaalsContact CG1-CG 3.42Å; I363-M366 PolarHBondContact O-N 2.98Å; P364-M366 VanDerWaalsContact C-N 3.33Å; P364-M366 PolarHBondContact O-N 2.96Å; M366-R368 PolarHBondContact O-N 3.08Å
367	D	93.3	Very high	92.4	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	33%	0.325	C	S	.	.			trans	-91	98	-176.5	-165.3	-18.4	0	0	0	111.9	R355 P362 I363 P364 T369 K370 F371	R355-D367 IonicContact CZ-OD1 3.74Å; R355-D367 IonicContact NH2-OD1 3.04Å; R355-D367 PolarHBondContact NH2-OD1 3.49Å; R355-D367 IonicContact NH2-OD2 2.94Å; R355-D367 PolarHBondContact NH2-OD2 3.48Å; P362-D367 HydrophobicContact CB-CB 4.37Å; I363-D367 PolarHBondContact O-N 3.08Å; P364-D367 PolarHBondContact O-N 3.36Å; D367-T369 PolarHBondContact O-N 3.21Å; D367-T369 WeakPolarHBondContact OD1-CB 3.31Å; D367-T369 PolarHBondContact OD1-N 2.68Å; D367-T369 PolarHBondContact OD1-OG1 2.91Å; D367-T369 PolarHBondContact OD2-OG1 3.11Å; D367-K370 HydrophobicContact CB-CB 4.16Å; D367-K370 HydrophobicContact CB-CD 4.03Å; D367-K370 HydrophobicContact CB-CG 4.19Å; D367-K370 PolarHBondContact O-N 2.98Å; D367-K370 VanDerWaalsContact OD2-CD 3.28Å; D367-K370 WeakPolarHBondContact OD2-CD 3.37Å; D367-K370 WeakPolarHBondContact OD2-CE 3.42Å; D367-K370 IonicContact OD2-NZ 3.91Å; D367-K370 PolarHBondContact OD2-NZ 3.26Å; D367-F371 PolarHBondContact O-N 3.31Å
368	R	93.5	Very high	92.6	Very high	112 Å²	112	60.4 Å²	60.4	42%	0.423	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-13.1	174.9	70.2	176	75.5	-141.4	-4.4	115.3	F348 D352 M366	F348-R368 HydrophobicContact CB-CB 4.02Å; F348-R368 HydrophobicContact CD1-CB 3.85Å; F348-R368 HydrophobicContact CD2-CB 3.78Å; F348-R368 HydrophobicContact CE1-CB 4.2Å; F348-R368 HydrophobicContact CE2-CB 4.14Å; F348-R368 HydrophobicContact CG-CB 3.62Å; F348-R368 HydrophobicContact CZ-CB 4.34Å; F348-R368 PolarHBondContact O-NH2 2.9Å; D352-R368 VanDerWaalsContact CG-NE 3.32Å; D352-R368 IonicContact OD1-CZ 3.61Å; D352-R368 IonicContact OD1-NE 2.68Å; D352-R368 PolarHBondContact OD1-NE 3.37Å; D352-R368 IonicContact OD1-NH2 2.8Å; D352-R368 IonicContact OD2-CZ 3.34Å; D352-R368 IonicContact OD2-NE 3.75Å; D352-R368 PolarHBondContact OD2-NE 3.15Å; D352-R368 IonicContact OD2-NH1 3.09Å; D352-R368 IonicContact OD2-NH2 2.91Å; D352-R368 PolarHBondContact OD2-NH2 3.09Å; M366-R368 PolarHBondContact O-N 3.08Å
369	T	90.2	Very high	92.7	Very high	108 Å²	108	56.7 Å²	56.7	66%	0.663	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.4	176.2	71.7	0	0	0	0	113.3	D367	D367-T369 PolarHBondContact O-N 3.21Å; D367-T369 WeakPolarHBondContact OD1-CB 3.31Å; D367-T369 PolarHBondContact OD1-N 2.68Å; D367-T369 PolarHBondContact OD1-OG1 2.91Å; D367-T369 PolarHBondContact OD2-OG1 3.11Å
370	K	88.3	Confident	92.9	Very high	99 Å²	99	54.5 Å²	54.5	43%	0.43	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-28.6	-175.6	-62.8	176.1	-174.8	135.8	0	113.4	D367	D367-K370 HydrophobicContact CB-CB 4.16Å; D367-K370 HydrophobicContact CB-CD 4.03Å; D367-K370 HydrophobicContact CB-CG 4.19Å; D367-K370 PolarHBondContact O-N 2.98Å; D367-K370 VanDerWaalsContact OD2-CD 3.28Å; D367-K370 WeakPolarHBondContact OD2-CD 3.37Å; D367-K370 WeakPolarHBondContact OD2-CE 3.42Å; D367-K370 IonicContact OD2-NZ 3.91Å; D367-K370 PolarHBondContact OD2-NZ 3.26Å
371	F	90.1	Very high	93.1	Very high	37 Å²	37	51.8 Å²	51.8	16%	0.162	26%	0.261	C	S	.	.			trans	-121.5	138.5	-176.1	-89.6	-115.4	0	0	0	112.3	P364 T365 D367 R375 I376	P364-F371 HydrophobicContact CB-CD2 3.93Å; P364-F371 HydrophobicContact CB-CE2 3.44Å; P364-F371 VanDerWaalsContact CB-CE2 3.44Å; P364-F371 HydrophobicContact CB-CZ 4.16Å; P364-F371 WeakPolarHBondContact O-CD2 3.46Å; P364-F371 WeakPolarHBondContact O-CG 3.35Å; T365-F371 HydrophobicContact CG2-CD1 4.21Å; T365-F371 HydrophobicContact CG2-CE1 4.05Å; D367-F371 PolarHBondContact O-N 3.31Å; F371-R375 HydrophobicContact CD1-CB 4.2Å; F371-R375 HydrophobicContact CD1-CG 3.79Å; F371-R375 HydrophobicContact CE1-CG 3.81Å; F371-I376 HydrophobicContact CB-CD1 4.17Å; F371-I376 HydrophobicContact CB-CG1 4.06Å; F371-I376 HydrophobicContact CD1-CG1 3.83Å; F371-I376 HydrophobicContact CG-CG1 4.41Å
372	T	91.8	Very high	93.4	Very high	67 Å²	67	51.2 Å²	51.2	41%	0.411	25%	0.253	S	S	.	.			trans	-94.4	155.3	170.5	63.1	0	0	0	0	110.3	A374 R375 I376	T372-A374 VanDerWaalsContact C-N 3.28Å; T372-A374 PolarHBondContact O-N 3.09Å; T372-R375 WeakPolarHBondContact O-CB 3.41Å; T372-R375 PolarHBondContact O-N 3.33Å; T372-R375 WeakPolarHBondContact OG1-CB 3.3Å; T372-R375 PolarHBondContact OG1-N 2.89Å; T372-I376 PolarHBondContact O-N 2.88Å; T372-I376 VanDerWaalsContact O-N 3.1Å
373	L	93.7	Very high	93.5	Very high	40 Å²	40	55.6 Å²	55.6	21%	0.209	28%	0.276	C	S	.	.	H	α-helix	trans	-45.4	-51.9	172.2	174.5	58.9	0	0	0	112	A340 I341 C344 R375 I376 Q377 W415	A340-L373 VanDerWaalsContact C-CD1 3.48Å; A340-L373 HydrophobicContact CB-CD1 3.85Å; A340-L373 WeakPolarHBondContact O-CD1 3.42Å; I341-L373 HydrophobicContact CG1-CD2 3.73Å; C344-L373 HydrophobicContact CB-CD1 3.88Å; C344-L373 WeakPolarHBondContact SG-CD1 3.36Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 3.1Å; L373-I376 PolarHBondContact O-N 3.09Å; L373-Q377 HydrophobicContact CD1-CG 4.13Å; L373-Q377 WeakPolarHBondContact O-CG 3.4Å; L373-Q377 PolarHBondContact O-N 3.22Å; L373-W415 HydrophobicContact CD1-CH2 4.24Å; L373-W415 HydrophobicContact CD2-CH2 3.7Å; L373-W415 HydrophobicContact CD2-CZ3 3.84Å; L373-W415 HydrophobicContact CG-CH2 3.7Å; L373-W415 HydrophobicContact CG-CZ3 3.7Å
374	A	95.6	Very high	93.8	Very high	7 Å²	7	55.9 Å²	55.9	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-31.8	-178.5	0	0	0	0	0	113.3	T372 N378 W415 D418 L419	T372-A374 VanDerWaalsContact C-N 3.28Å; T372-A374 PolarHBondContact O-N 3.09Å; A374-N378 VanDerWaalsContact O-CB 3.27Å; A374-N378 WeakPolarHBondContact O-CB 3.39Å; A374-N378 PolarHBondContact O-N 3.43Å; A374-W415 HydrophobicContact CB-CD2 4.49Å; A374-W415 HydrophobicContact CB-CE3 3.64Å; A374-W415 HydrophobicContact CB-CZ3 4.31Å; A374-D418 HydrophobicContact CB-CB 4.03Å; A374-L419 HydrophobicContact CB-CD2 4.02Å; A374-L419 HydrophobicContact CB-CG 3.73Å
375	R	95.1	Very high	94.2	Very high	130 Å²	130	53.1 Å²	53.1	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-68.9	-42.7	175.8	-171.8	178.3	-179.6	-178.8	2.4	111.6	F371 T372 L373 G379 L419	F371-R375 HydrophobicContact CD1-CB 4.2Å; F371-R375 HydrophobicContact CD1-CG 3.79Å; F371-R375 HydrophobicContact CE1-CG 3.81Å; T372-R375 WeakPolarHBondContact O-CB 3.41Å; T372-R375 PolarHBondContact O-N 3.33Å; T372-R375 WeakPolarHBondContact OG1-CB 3.3Å; T372-R375 PolarHBondContact OG1-N 2.89Å; L373-R375 VanDerWaalsContact C-N 3.32Å; L373-R375 PolarHBondContact O-N 3.1Å; R375-G379 PolarHBondContact O-N 3.41Å; R375-L419 HydrophobicContact CB-CD2 4.04Å
376	I	95.7	Very high	94.6	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.087	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-49.9	176.6	-63.3	170	0	0	0	109.7	C344 L347 F348 T365 F371 T372 L373 N378 G379 F380	C344-I376 HydrophobicContact CB-CD1 4.46Å; L347-I376 HydrophobicContact CD1-CG2 4.32Å; F348-I376 HydrophobicContact CE1-CD1 3.65Å; F348-I376 HydrophobicContact CZ-CD1 3.68Å; T365-I376 WeakPolarHBondContact O-CD1 3.04Å; F371-I376 HydrophobicContact CB-CD1 4.17Å; F371-I376 HydrophobicContact CB-CG1 4.06Å; F371-I376 HydrophobicContact CD1-CG1 3.83Å; F371-I376 HydrophobicContact CG-CG1 4.41Å; T372-I376 PolarHBondContact O-N 2.88Å; T372-I376 VanDerWaalsContact O-N 3.1Å; L373-I376 PolarHBondContact O-N 3.09Å; I376-N378 PolarHBondContact O-N 2.76Å; I376-G379 PolarHBondContact O-N 2.95Å; I376-F380 WeakPolarHBondContact O-CB 3.29Å; I376-F380 PolarHBondContact O-N 3.24Å
377	Q	97.5	Very high	94.8	Very high	8 Å²	8	56 Å²	56	4%	0.037	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-40.6	-178.3	-66.7	-63.4	-52.5	0	0	112.8	A340 L373 G379 F380 I381 W415	A340-Q377 VanDerWaalsContact CB-CD 3.48Å; A340-Q377 HydrophobicContact CB-CG 3.78Å; L373-Q377 HydrophobicContact CD1-CG 4.13Å; L373-Q377 WeakPolarHBondContact O-CG 3.4Å; L373-Q377 PolarHBondContact O-N 3.22Å; Q377-G379 PolarHBondContact O-N 3.03Å; Q377-F380 PolarHBondContact O-N 2.95Å; Q377-I381 WeakPolarHBondContact O-CB 3.38Å; Q377-I381 WeakPolarHBondContact O-CD1 3.49Å; Q377-I381 WeakPolarHBondContact O-CG1 3.48Å; Q377-I381 PolarHBondContact O-N 3.37Å; Q377-W415 HydrophobicContact CB-CD2 3.89Å; Q377-W415 HydrophobicContact CB-CG 3.95Å; Q377-W415 HydrophobicContact CB-CZ2 4.34Å; Q377-W415 HydrophobicContact CG-CD2 4.27Å; Q377-W415 HydrophobicContact CG-CH2 4.39Å; Q377-W415 HydrophobicContact CG-CZ2 3.86Å
378	N	96.1	Very high	95	Very high	34 Å²	34	56 Å²	56	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-60.1	-44.2	176.3	176.1	54	0	0	0	112.6	A374 I376 R382 L412 L419	A374-N378 VanDerWaalsContact O-CB 3.27Å; A374-N378 WeakPolarHBondContact O-CB 3.39Å; A374-N378 PolarHBondContact O-N 3.43Å; I376-N378 PolarHBondContact O-N 2.76Å; N378-R382 WeakPolarHBondContact O-CB 3.29Å; N378-R382 VanDerWaalsContact O-CG 3.27Å; N378-R382 WeakPolarHBondContact O-CG 3.48Å; N378-R382 PolarHBondContact O-N 3.04Å; N378-R382 WeakPolarHBondContact OD1-CD 3.49Å; N378-L412 WeakPolarHBondContact OD1-CD1 3.21Å; N378-L419 HydrophobicContact CB-CD1 4.03Å
379	G	94.9	Very high	95.2	Very high	22 Å²	22	50.8 Å²	50.8	23%	0.227	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-53	174.9	0	0	0	0	0	111.6	R375 I376 Q377 I381 R382 D383	R375-G379 PolarHBondContact O-N 3.41Å; I376-G379 PolarHBondContact O-N 2.95Å; Q377-G379 PolarHBondContact O-N 3.03Å; G379-I381 VanDerWaalsContact C-N 3.34Å; G379-I381 PolarHBondContact O-N 3.09Å; G379-R382 PolarHBondContact O-N 3.38Å; G379-D383 WeakPolarHBondContact O-CB 3.33Å; G379-D383 VanDerWaalsContact O-CG 3.28Å; G379-D383 PolarHBondContact O-N 3.29Å
380	F	96.6	Very high	95.5	Very high	67 Å²	67	47.7 Å²	47.7	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-55.8	-44.2	-179.9	-178.6	-119.5	0	0	0	113.2	I326 P329 I376 Q377 M384 V385	I326-F380 HydrophobicContact CB-CZ 3.91Å; I326-F380 HydrophobicContact CG2-CZ 4.09Å; P329-F380 HydrophobicContact CG-CD1 4.02Å; P329-F380 HydrophobicContact CG-CE1 3.94Å; I376-F380 WeakPolarHBondContact O-CB 3.29Å; I376-F380 PolarHBondContact O-N 3.24Å; Q377-F380 PolarHBondContact O-N 2.95Å; F380-M384 HydrophobicContact CD2-CB 3.84Å; F380-M384 HydrophobicContact CD2-CG 3.94Å; F380-M384 HydrophobicContact CE2-CB 3.92Å; F380-M384 HydrophobicContact CE2-CG 4.23Å; F380-M384 WeakPolarHBondContact O-CA 3.41Å; F380-M384 WeakPolarHBondContact O-CB 3.39Å; F380-M384 PolarHBondContact O-N 3.14Å; F380-V385 HydrophobicContact CD1-CG2 3.7Å; F380-V385 HydrophobicContact CD2-CG2 4.44Å; F380-V385 HydrophobicContact CE1-CG2 3.38Å; F380-V385 HydrophobicContact CE2-CG2 4.17Å; F380-V385 HydrophobicContact CG-CG2 4.23Å; F380-V385 HydrophobicContact CZ-CG2 3.65Å; F380-V385 PolarHBondContact O-N 3.49Å
381	I	97.9	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-62.8	-49.3	177.7	-71.6	165.4	0	0	0	111.4	P329 Q377 G379 K386 L408 L412	P329-I381 HydrophobicContact CB-CD1 3.9Å; P329-I381 HydrophobicContact CB-CG1 3.6Å; P329-I381 HydrophobicContact CG-CG1 4Å; Q377-I381 WeakPolarHBondContact O-CB 3.38Å; Q377-I381 WeakPolarHBondContact O-CD1 3.49Å; Q377-I381 WeakPolarHBondContact O-CG1 3.48Å; Q377-I381 PolarHBondContact O-N 3.37Å; G379-I381 VanDerWaalsContact C-N 3.34Å; G379-I381 PolarHBondContact O-N 3.09Å; I381-K386 VanDerWaalsContact O-CB 3.23Å; I381-K386 WeakPolarHBondContact O-CB 3.32Å; I381-K386 PolarHBondContact O-N 3.45Å; I381-L408 HydrophobicContact CB-CD1 4.43Å; I381-L408 HydrophobicContact CG1-CD1 4.07Å; I381-L408 HydrophobicContact CG2-CD1 3.69Å; I381-L408 HydrophobicContact CG2-CG 4.08Å; I381-L412 HydrophobicContact CB-CD1 4.16Å; I381-L412 HydrophobicContact CD1-CD1 4.3Å; I381-L412 HydrophobicContact CG2-CB 4.17Å; I381-L412 HydrophobicContact CG2-CD1 3.86Å; I381-L412 HydrophobicContact CG2-CD2 4.07Å; I381-L412 HydrophobicContact CG2-CG 4.26Å
382	R	96.7	Very high	96.3	Very high	137 Å²	137	42.1 Å²	42.1	52%	0.517	21%	0.214	S	C	.	.	I	π-helix	trans	-71.5	-39.8	-174	-69.5	175	71.5	-93.3	1.3	112.6	N378 G379 P387 L412	N378-R382 WeakPolarHBondContact O-CB 3.29Å; N378-R382 VanDerWaalsContact O-CG 3.27Å; N378-R382 WeakPolarHBondContact O-CG 3.48Å; N378-R382 PolarHBondContact O-N 3.04Å; N378-R382 WeakPolarHBondContact OD1-CD 3.49Å; G379-R382 PolarHBondContact O-N 3.38Å; R382-P387 WeakPolarHBondContact O-CD 3.47Å; R382-L412 HydrophobicContact CG-CD1 4.23Å; R382-L412 HydrophobicContact CG-CD2 4.2Å
383	D	94.7	Very high	96.6	Very high	99 Å²	99	41.2 Å²	41.2	53%	0.529	21%	0.205	S	C	.	.	I	π-helix	trans	-100.4	-24.4	-165.1	-50	-27.5	0	0	0	112.1	G379	G379-D383 WeakPolarHBondContact O-CB 3.33Å; G379-D383 VanDerWaalsContact O-CG 3.28Å; G379-D383 PolarHBondContact O-N 3.29Å
384	M	94.9	Very high	96.8	Very high	69 Å²	69	43.4 Å²	43.4	34%	0.34	21%	0.214	S	C	.	.	I	π-helix	trans	-114.9	-58.9	178.3	-60	-64	-155.6	0	0	113.5	I283 Q286 F380	I283-M384 HydrophobicContact CD1-SD 4.39Å; I283-M384 HydrophobicContact CG1-CE 3.89Å; I283-M384 HydrophobicContact CG1-SD 4.28Å; Q286-M384 PolarHBondContact NE2-SD 3.2Å; F380-M384 HydrophobicContact CD2-CB 3.84Å; F380-M384 HydrophobicContact CD2-CG 3.94Å; F380-M384 HydrophobicContact CE2-CB 3.92Å; F380-M384 HydrophobicContact CE2-CG 4.23Å; F380-M384 WeakPolarHBondContact O-CA 3.41Å; F380-M384 WeakPolarHBondContact O-CB 3.39Å; F380-M384 PolarHBondContact O-N 3.14Å
385	V	98.1	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-72.5	-51	-167.4	-175	0	0	0	0	112.1	I326 P329 F380 L388 L389 L408	I326-V385 HydrophobicContact CB-CG2 4.33Å; I326-V385 HydrophobicContact CD1-CB 4.38Å; I326-V385 HydrophobicContact CD1-CG2 4.1Å; I326-V385 HydrophobicContact CG1-CG2 4.28Å; P329-V385 HydrophobicContact CG-CG2 4.19Å; F380-V385 HydrophobicContact CD1-CG2 3.7Å; F380-V385 HydrophobicContact CD2-CG2 4.44Å; F380-V385 HydrophobicContact CE1-CG2 3.38Å; F380-V385 HydrophobicContact CE2-CG2 4.17Å; F380-V385 HydrophobicContact CG-CG2 4.23Å; F380-V385 HydrophobicContact CZ-CG2 3.65Å; F380-V385 PolarHBondContact O-N 3.49Å; V385-L388 PolarHBondContact O-N 3.05Å; V385-L389 HydrophobicContact CG1-CD2 3.94Å; V385-L389 HydrophobicContact CG1-CG 4.38Å; V385-L389 WeakPolarHBondContact O-CD2 3.47Å; V385-L389 PolarHBondContact O-N 2.89Å; V385-L408 HydrophobicContact CB-CD1 4.43Å; V385-L408 HydrophobicContact CG1-CD1 3.88Å; V385-L408 HydrophobicContact CG1-CD2 4.05Å
386	K	97.9	Very high	96.9	Very high	68 Å²	68	38.2 Å²	38.2	30%	0.296	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-44.2	-175.4	-173.5	163.4	-175.5	161.8	0	112.9	I381 L388 T390 L408 D409	I381-K386 VanDerWaalsContact O-CB 3.23Å; I381-K386 WeakPolarHBondContact O-CB 3.32Å; I381-K386 PolarHBondContact O-N 3.45Å; K386-L388 PolarHBondContact O-N 3.24Å; K386-T390 VanDerWaalsContact O-CB 3.26Å; K386-T390 WeakPolarHBondContact O-CB 3.35Å; K386-T390 PolarHBondContact O-N 3.34Å; K386-T390 PolarHBondContact O-OG1 3.4Å; K386-L408 HydrophobicContact CB-CD2 3.88Å; K386-L408 HydrophobicContact CG-CD2 4.23Å; K386-D409 IonicContact NZ-OD1 3.87Å; K386-D409 PolarHBondContact NZ-OD1 3.14Å; K386-D409 IonicContact NZ-OD2 3.56Å; K386-D409 PolarHBondContact NZ-OD2 2.99Å
387	P	97.4	Very high	96.8	Very high	55 Å²	55	43.3 Å²	43.3	36%	0.357	22%	0.218	S	C	.	.	H	α-helix	trans	-58.3	-45.2	174.6	-26.4	35.8	0	0	0	113.2	R382 G391	R382-P387 WeakPolarHBondContact O-CD 3.47Å; P387-G391 PolarHBondContact O-N 3.32Å
388	L	97.6	Very high	96.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-50.8	-178.9	-168.1	74.5	0	0	0	111.8	Q286 Q290 M319 K322 I326 V385 K386 T390 G391 W392	Q286-L388 HydrophobicContact CG-CD1 4.22Å; Q290-L388 HydrophobicContact CG-CD1 3.57Å; M319-L388 HydrophobicContact CE-CD1 3.46Å; M319-L388 VanDerWaalsContact CE-CD1 3.46Å; M319-L388 HydrophobicContact CE-CG 4.32Å; M319-L388 HydrophobicContact SD-CD1 4.23Å; K322-L388 HydrophobicContact CB-CD2 4.03Å; I326-L388 HydrophobicContact CD1-CB 4.15Å; I326-L388 HydrophobicContact CD1-CD2 3.45Å; I326-L388 VanDerWaalsContact CD1-CD2 3.45Å; I326-L388 HydrophobicContact CD1-CG 4.43Å; I326-L388 HydrophobicContact CG1-CD2 3.9Å; V385-L388 PolarHBondContact O-N 3.05Å; K386-L388 PolarHBondContact O-N 3.24Å; L388-T390 VanDerWaalsContact C-N 3.31Å; L388-T390 PolarHBondContact O-N 2.88Å; L388-G391 PolarHBondContact O-N 3.03Å; L388-W392 PolarHBondContact O-N 2.91Å
389	L	97.9	Very high	96.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-74.4	-21.7	-175.4	-82.6	-63.3	0	0	0	112.7	F187 C323 I326 V385 W392 H393 I404 L405	F187-L389 HydrophobicContact CZ-CD1 4.44Å; C323-L389 HydrophobicContact CB-CD1 3.86Å; C323-L389 HydrophobicContact CB-CD2 4.31Å; I326-L389 HydrophobicContact CD1-CD2 4.47Å; I326-L389 HydrophobicContact CG1-CD2 4.18Å; V385-L389 HydrophobicContact CG1-CD2 3.94Å; V385-L389 HydrophobicContact CG1-CG 4.38Å; V385-L389 WeakPolarHBondContact O-CD2 3.47Å; V385-L389 PolarHBondContact O-N 2.89Å; L389-W392 HydrophobicContact CD1-CB 4.36Å; L389-H393 PolarHBondContact O-N 3.41Å; L389-I404 HydrophobicContact CD1-CG2 3.92Å; L389-I404 HydrophobicContact CG-CG2 4.26Å; L389-L405 HydrophobicContact CB-CD2 4.09Å
390	T	98	Very high	96.8	Very high	43 Å²	43	49.6 Å²	49.6	26%	0.264	25%	0.247	S	C	.	.	H	α-helix	trans	-67.2	-48.8	169.7	-57.3	0	0	0	0	110.3	K386 L388 W392 H393 E394	K386-T390 VanDerWaalsContact O-CB 3.26Å; K386-T390 WeakPolarHBondContact O-CB 3.35Å; K386-T390 PolarHBondContact O-N 3.34Å; K386-T390 PolarHBondContact O-OG1 3.4Å; L388-T390 VanDerWaalsContact C-N 3.31Å; L388-T390 PolarHBondContact O-N 2.88Å; T390-W392 VanDerWaalsContact C-N 3.27Å; T390-W392 PolarHBondContact O-N 3.39Å; T390-H393 WeakPolarHBondContact O-CB 3.4Å; T390-H393 PolarHBondContact O-N 3.06Å; T390-E394 WeakPolarHBondContact O-CG 3.33Å; T390-E394 PolarHBondContact O-N 3.25Å
391	G	97.6	Very high	96.8	Very high	18 Å²	18	46.5 Å²	46.5	19%	0.186	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-37	173.9	0	0	0	0	0	112.8	P387 L388 H393 E394 F395	P387-G391 PolarHBondContact O-N 3.32Å; L388-G391 PolarHBondContact O-N 3.03Å; G391-H393 VanDerWaalsContact C-N 3.33Å; G391-H393 PolarHBondContact O-N 3.37Å; G391-E394 PolarHBondContact O-N 3.05Å; G391-F395 PolarHBondContact O-N 2.91Å; G391-F395 VanDerWaalsContact O-N 3.08Å
392	W	97.9	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-35.5	173.8	-166.6	-121.8	0	0	0	113.3	F187 L193 F293 I316 M319 A320 C323 L388 L389 T390 F395 L396	F187-W392 HydrophobicContact CB-CZ2 4.2Å; F187-W392 HydrophobicContact CD1-CZ2 4.46Å; F187-W392 AromaticContact CD1-NE1 3.23Å; F187-W392 HydrophobicContact CD2-CZ2 4.38Å; F187-W392 AromaticContact CD2-NE1 3.94Å; F187-W392 AromaticContact CE1-CD1 3.67Å; F187-W392 AromaticContact CE1-NE1 3.15Å; F187-W392 AromaticContact CE2-NE1 3.87Å; F187-W392 HydrophobicContact CG-CZ2 4.13Å; F187-W392 AromaticContact CG-NE1 3.66Å; F187-W392 AromaticContact CZ-CD1 3.89Å; F187-W392 AromaticContact CZ-NE1 3.5Å; L193-W392 HydrophobicContact CD1-CH2 3.95Å; L193-W392 HydrophobicContact CD1-CZ2 3.91Å; F293-W392 AromaticContact CE1-CE3 3.8Å; F293-W392 HydrophobicContact CE1-CE3 3.8Å; F293-W392 HydrophobicContact CE1-CZ3 4.34Å; F293-W392 HydrophobicContact CE2-CE3 4.16Å; F293-W392 AromaticContact CE2-CZ3 3.86Å; F293-W392 HydrophobicContact CE2-CZ3 3.86Å; F293-W392 AromaticContact CZ-CE3 3.37Å; F293-W392 HydrophobicContact CZ-CE3 3.37Å; F293-W392 AromaticContact CZ-CZ3 3.48Å; F293-W392 HydrophobicContact CZ-CZ3 3.48Å; F293-W392 VanDerWaalsContact CZ-CZ3 3.48Å; I316-W392 HydrophobicContact CG2-CH2 4.39Å; M319-W392 HydrophobicContact CB-CE3 4.13Å; M319-W392 HydrophobicContact CB-CZ3 3.81Å; A320-W392 HydrophobicContact CB-CH2 3.66Å; A320-W392 HydrophobicContact CB-CZ2 3.82Å; C323-W392 HydrophobicContact CB-CG 4.33Å; L388-W392 PolarHBondContact O-N 2.91Å; L389-W392 HydrophobicContact CD1-CB 4.36Å; T390-W392 VanDerWaalsContact C-N 3.27Å; T390-W392 PolarHBondContact O-N 3.39Å; W392-F395 HydrophobicContact CZ3-CD1 4.25Å; W392-L396 HydrophobicContact CD2-CD1 4.29Å; W392-L396 HydrophobicContact CH2-CD1 4.47Å; W392-L396 HydrophobicContact CZ2-CD1 3.66Å; W392-L396 HydrophobicContact CZ2-CG 4.34Å; W392-L396 PolarHBondContact O-N 2.94Å; W392-L396 VanDerWaalsContact O-N 3.1Å
393	H	97.8	Very high	96.8	Very high	48 Å²	48	46.5 Å²	46.5	22%	0.222	24%	0.24	C	C	.	.	H	α-helix	trans	-70.9	-40.9	171.9	179.9	60.3	0	0	0	112.4	L389 T390 G391 F395 L396 Q397 T401 L402 L405	L389-H393 PolarHBondContact O-N 3.41Å; T390-H393 WeakPolarHBondContact O-CB 3.4Å; T390-H393 PolarHBondContact O-N 3.06Å; G391-H393 VanDerWaalsContact C-N 3.33Å; G391-H393 PolarHBondContact O-N 3.37Å; H393-F395 PolarHBondContact O-N 3.36Å; H393-L396 PolarHBondContact O-N 3.17Å; H393-Q397 WeakPolarHBondContact O-CA 3.38Å; H393-Q397 WeakPolarHBondContact O-CG 3.44Å; H393-Q397 PolarHBondContact O-N 3.22Å; H393-T401 PolarHBondContact ND1-OG1 3Å; H393-L402 PolarHBondContact ND1-N 3.27Å; H393-L405 HydrophobicContact CB-CD1 3.58Å; H393-L405 HydrophobicContact CB-CG 4.39Å
394	E	96.6	Very high	97	Very high	86 Å²	86	41.8 Å²	41.8	40%	0.402	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-35.9	174.8	-71.2	171	-175.9	0	0	112.1	T390 G391 Q397	T390-E394 WeakPolarHBondContact O-CG 3.33Å; T390-E394 PolarHBondContact O-N 3.25Å; G391-E394 PolarHBondContact O-N 3.05Å; E394-Q397 VanDerWaalsContact O-CG 3.24Å; E394-Q397 WeakPolarHBondContact O-CG 3.34Å; E394-Q397 PolarHBondContact O-NE2 3.3Å
395	F	96.8	Very high	97.1	Very high	16 Å²	16	39.6 Å²	39.6	7%	0.07	21%	0.205	C	C	.	.	H	α-helix	trans	-76.9	-46.7	175.4	178.2	-110.1	0	0	0	114.1	L193 F293 T297 F308 I316 G391 W392 H393	L193-F395 HydrophobicContact CD2-CE1 4.2Å; F293-F395 HydrophobicContact CE1-CB 3.66Å; F293-F395 HydrophobicContact CE1-CG 4.17Å; F293-F395 HydrophobicContact CE2-CB 4.46Å; F293-F395 HydrophobicContact CE2-CD1 4.12Å; F293-F395 HydrophobicContact CE2-CD2 4.44Å; F293-F395 HydrophobicContact CE2-CG 4.09Å; F293-F395 HydrophobicContact CZ-CB 3.42Å; F293-F395 VanDerWaalsContact CZ-CB 3.42Å; F293-F395 AromaticContact CZ-CD1 3.55Å; F293-F395 HydrophobicContact CZ-CD1 3.55Å; F293-F395 HydrophobicContact CZ-CD2 4.13Å; F293-F395 HydrophobicContact CZ-CE1 4.35Å; F293-F395 AromaticContact CZ-CG 3.42Å; F293-F395 HydrophobicContact CZ-CG 3.42Å; F293-F395 VanDerWaalsContact CZ-CG 3.42Å; T297-F395 HydrophobicContact CG2-CB 4.11Å; T297-F395 HydrophobicContact CG2-CD2 4.3Å; F308-F395 AromaticContact CE1-CE2 3.86Å; F308-F395 HydrophobicContact CE1-CE2 3.86Å; F308-F395 HydrophobicContact CE1-CZ 4.05Å; F308-F395 AromaticContact CZ-CE2 3.83Å; F308-F395 HydrophobicContact CZ-CE2 3.83Å; F308-F395 AromaticContact CZ-CZ 3.91Å; F308-F395 HydrophobicContact CZ-CZ 3.91Å; I316-F395 HydrophobicContact CD1-CE1 4.34Å; I316-F395 HydrophobicContact CD1-CE2 4.36Å; I316-F395 HydrophobicContact CD1-CZ 3.66Å; I316-F395 HydrophobicContact CG1-CE1 4.2Å; I316-F395 HydrophobicContact CG1-CZ 3.92Å; I316-F395 HydrophobicContact CG2-CE1 4.27Å; G391-F395 PolarHBondContact O-N 2.91Å; G391-F395 VanDerWaalsContact O-N 3.08Å; W392-F395 HydrophobicContact CZ3-CD1 4.25Å; H393-F395 PolarHBondContact O-N 3.36Å
396	L	95.8	Very high	97.1	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-91.4	-22	-171.6	-72.3	-170.7	0	0	0	115.5	Q192 L193 W392 H393 N398 T401	Q192-L396 HydrophobicContact CG-CD2 4.23Å; L193-L396 HydrophobicContact CD2-CD2 4.4Å; L193-L396 HydrophobicContact CG-CD2 4.2Å; W392-L396 HydrophobicContact CD2-CD1 4.29Å; W392-L396 HydrophobicContact CH2-CD1 4.47Å; W392-L396 HydrophobicContact CZ2-CD1 3.66Å; W392-L396 HydrophobicContact CZ2-CG 4.34Å; W392-L396 PolarHBondContact O-N 2.94Å; W392-L396 VanDerWaalsContact O-N 3.1Å; H393-L396 PolarHBondContact O-N 3.17Å; L396-N398 VanDerWaalsContact C-N 3.29Å; L396-N398 WeakPolarHBondContact O-CB 3.41Å; L396-N398 PolarHBondContact O-N 2.99Å; L396-N398 PolarHBondContact O-ND2 2.89Å; L396-T401 HydrophobicContact CB-CG2 3.99Å; L396-T401 HydrophobicContact CD1-CG2 3.87Å; L396-T401 HydrophobicContact CG-CG2 4.48Å
397	Q	94.7	Very high	97.2	Very high	125 Å²	125	43.2 Å²	43.2	58%	0.584	22%	0.224	S	C	*	.			trans	38.8	47.5	175	-55.2	-172.1	17.9	0	0	115.4	H393 E394	H393-Q397 WeakPolarHBondContact O-CA 3.38Å; H393-Q397 WeakPolarHBondContact O-CG 3.44Å; H393-Q397 PolarHBondContact O-N 3.22Å; E394-Q397 VanDerWaalsContact O-CG 3.24Å; E394-Q397 WeakPolarHBondContact O-CG 3.34Å; E394-Q397 PolarHBondContact O-NE2 3.3Å
398	N	95.1	Very high	97.2	Very high	34 Å²	34	40.6 Å²	40.6	18%	0.182	21%	0.207	C	C	.	.	S	Bend	trans	-130.4	169.1	-173.7	70.9	41.8	0	0	0	113.6	S191 L396 L400 T401 L402	S191-N398 WeakPolarHBondContact CB-ND2 3.47Å; L396-N398 VanDerWaalsContact C-N 3.29Å; L396-N398 WeakPolarHBondContact O-CB 3.41Å; L396-N398 PolarHBondContact O-N 2.99Å; L396-N398 PolarHBondContact O-ND2 2.89Å; N398-L400 PolarHBondContact O-N 2.77Å; N398-L400 WeakPolarHBondContact OD1-CA 3.44Å; N398-L400 WeakPolarHBondContact OD1-CB 3.19Å; N398-L400 PolarHBondContact OD1-N 2.97Å; N398-T401 PolarHBondContact N-OG1 3.31Å; N398-T401 PolarHBondContact O-N 3.49Å; N398-T401 PolarHBondContact O-OG1 2.85Å; N398-T401 PolarHBondContact OD1-N 3.22Å; N398-T401 PolarHBondContact OD1-OG1 2.89Å; N398-L402 WeakPolarHBondContact O-CB 3.18Å; N398-L402 PolarHBondContact O-N 2.89Å
399	N	96.4	Very high	97.2	Very high	140 Å²	140	43.3 Å²	43.3	75%	0.749	22%	0.221	S	C	*	.	H	α-helix	trans	-60.9	-27.7	-177.6	-68.1	-28.4	0	0	0	113.7	K403	N399-K403 VanDerWaalsContact O-CB 3.3Å; N399-K403 WeakPolarHBondContact O-CB 3.37Å; N399-K403 PolarHBondContact O-N 3.32Å; N399-K403 VanDerWaalsContact O-N 3.13Å
400	L	96.8	Very high	97.2	Very high	21 Å²	21	47.7 Å²	47.7	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-70.3	-52.1	176	170.9	61.7	0	0	0	110.5	W114 C186 F187 R190 N398 L402 K403 I404	W114-L400 HydrophobicContact CB-CD1 3.65Å; W114-L400 HydrophobicContact CD2-CD1 4.05Å; W114-L400 HydrophobicContact CE3-CD1 3.94Å; W114-L400 HydrophobicContact CG-CD1 3.94Å; C186-L400 HydrophobicContact CB-CD2 4.17Å; C186-L400 WeakPolarHBondContact O-CD2 3.25Å; F187-L400 HydrophobicContact CD1-CD2 4.05Å; R190-L400 HydrophobicContact CB-CD2 3.91Å; N398-L400 PolarHBondContact O-N 2.77Å; N398-L400 WeakPolarHBondContact OD1-CA 3.44Å; N398-L400 WeakPolarHBondContact OD1-CB 3.19Å; N398-L400 PolarHBondContact OD1-N 2.97Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.45Å; L400-K403 PolarHBondContact O-N 3.29Å; L400-I404 HydrophobicContact CD1-CD1 3.87Å; L400-I404 HydrophobicContact CD1-CG1 4.24Å; L400-I404 HydrophobicContact CG-CD1 3.92Å; L400-I404 VanDerWaalsContact O-CG1 3.29Å; L400-I404 WeakPolarHBondContact O-CG1 3.34Å; L400-I404 PolarHBondContact O-N 3.3Å
401	T	97.2	Very high	97.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-32.7	-179.1	52.9	0	0	0	0	112.4	H393 L396 N398 I404 L405	H393-T401 PolarHBondContact ND1-OG1 3Å; L396-T401 HydrophobicContact CB-CG2 3.99Å; L396-T401 HydrophobicContact CD1-CG2 3.87Å; L396-T401 HydrophobicContact CG-CG2 4.48Å; N398-T401 PolarHBondContact N-OG1 3.31Å; N398-T401 PolarHBondContact O-N 3.49Å; N398-T401 PolarHBondContact O-OG1 2.85Å; N398-T401 PolarHBondContact OD1-N 3.22Å; N398-T401 PolarHBondContact OD1-OG1 2.89Å; T401-I404 WeakPolarHBondContact O-CB 3.24Å; T401-I404 PolarHBondContact O-N 3.31Å; T401-L405 PolarHBondContact O-N 2.98Å; T401-L405 VanDerWaalsContact O-N 3.13Å
402	L	97.2	Very high	97.3	Very high	73 Å²	73	46 Å²	46	38%	0.382	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-46.7	170.7	-176.4	62.1	0	0	0	112	H393 N398 L400 I404 L405 Q406	H393-L402 PolarHBondContact ND1-N 3.27Å; N398-L402 WeakPolarHBondContact O-CB 3.18Å; N398-L402 PolarHBondContact O-N 2.89Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.45Å; L402-I404 VanDerWaalsContact C-N 3.32Å; L402-I404 PolarHBondContact O-N 3.3Å; L402-L405 PolarHBondContact O-N 3.05Å; L402-Q406 WeakPolarHBondContact O-CG 3.4Å; L402-Q406 PolarHBondContact O-N 2.89Å
403	K	97.2	Very high	97.2	Very high	64 Å²	64	51.4 Å²	51.4	28%	0.278	25%	0.25	S	C	.	.	H	α-helix	trans	-62.9	-37.7	177.2	-178.4	180	179.6	-178.2	0	112.5	D115 N399 L400 Q406 N407	D115-K403 WeakPolarHBondContact OD1-CE 3.39Å; D115-K403 IonicContact OD1-NZ 2.92Å; D115-K403 PolarHBondContact OD1-NZ 2.86Å; D115-K403 IonicContact OD2-NZ 2.67Å; D115-K403 PolarHBondContact OD2-NZ 3.44Å; N399-K403 VanDerWaalsContact O-CB 3.3Å; N399-K403 WeakPolarHBondContact O-CB 3.37Å; N399-K403 PolarHBondContact O-N 3.32Å; N399-K403 VanDerWaalsContact O-N 3.13Å; L400-K403 PolarHBondContact O-N 3.29Å; K403-Q406 PolarHBondContact O-N 3.05Å; K403-N407 PolarHBondContact O-N 2.9Å
404	I	97.8	Very high	97.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-47.5	175.4	-76.4	171.1	0	0	0	110.7	W114 F187 C330 L389 L400 T401 L402 N407 L408	W114-I404 HydrophobicContact CD2-CD1 3.84Å; W114-I404 HydrophobicContact CD2-CG1 3.79Å; W114-I404 VanDerWaalsContact CE2-CG1 3.47Å; W114-I404 HydrophobicContact CE3-CD1 3.87Å; W114-I404 HydrophobicContact CE3-CG1 4.34Å; W114-I404 HydrophobicContact CG-CG1 4.18Å; W114-I404 HydrophobicContact CH2-CD1 3.78Å; W114-I404 HydrophobicContact CH2-CG1 4.31Å; W114-I404 HydrophobicContact CZ2-CD1 3.77Å; W114-I404 HydrophobicContact CZ2-CG1 3.77Å; W114-I404 HydrophobicContact CZ3-CD1 3.83Å; F187-I404 HydrophobicContact CE1-CD1 3.46Å; F187-I404 VanDerWaalsContact CE1-CD1 3.46Å; F187-I404 HydrophobicContact CZ-CD1 4Å; C330-I404 HydrophobicContact CB-CB 4.4Å; C330-I404 HydrophobicContact CB-CG2 3.64Å; L389-I404 HydrophobicContact CD1-CG2 3.92Å; L389-I404 HydrophobicContact CG-CG2 4.26Å; L400-I404 HydrophobicContact CD1-CD1 3.87Å; L400-I404 HydrophobicContact CD1-CG1 4.24Å; L400-I404 HydrophobicContact CG-CD1 3.92Å; L400-I404 VanDerWaalsContact O-CG1 3.29Å; L400-I404 WeakPolarHBondContact O-CG1 3.34Å; L400-I404 PolarHBondContact O-N 3.3Å; T401-I404 WeakPolarHBondContact O-CB 3.24Å; T401-I404 PolarHBondContact O-N 3.31Å; L402-I404 VanDerWaalsContact C-N 3.32Å; L402-I404 PolarHBondContact O-N 3.3Å; I404-N407 PolarHBondContact O-N 3.18Å; I404-L408 WeakPolarHBondContact O-CB 3.28Å; I404-L408 PolarHBondContact O-N 2.97Å
405	L	98.3	Very high	97.2	Very high	23 Å²	23	47.2 Å²	47.2	12%	0.12	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-38.4	176.5	-67.8	179.7	0	0	0	112.6	L389 H393 T401 L402 L408 D409	L389-L405 HydrophobicContact CB-CD2 4.09Å; H393-L405 HydrophobicContact CB-CD1 3.58Å; H393-L405 HydrophobicContact CB-CG 4.39Å; T401-L405 PolarHBondContact O-N 2.98Å; T401-L405 VanDerWaalsContact O-N 3.13Å; L402-L405 PolarHBondContact O-N 3.05Å; L405-L408 HydrophobicContact CD2-CD2 4.37Å; L405-L408 WeakPolarHBondContact O-CB 3.34Å; L405-L408 PolarHBondContact O-N 3.39Å; L405-D409 PolarHBondContact O-N 3.16Å
406	Q	98.1	Very high	97.2	Very high	115 Å²	115	50.4 Å²	50.4	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-46	174.6	-72.2	170.7	-8	0	0	112.2	L402 K403 L408 D409 E410	L402-Q406 WeakPolarHBondContact O-CG 3.4Å; L402-Q406 PolarHBondContact O-N 2.89Å; K403-Q406 PolarHBondContact O-N 3.05Å; Q406-L408 VanDerWaalsContact C-N 3.35Å; Q406-D409 PolarHBondContact O-N 2.87Å; Q406-E410 WeakPolarHBondContact O-CB 3.29Å; Q406-E410 PolarHBondContact O-N 2.68Å
407	N	98.2	Very high	97.1	Very high	29 Å²	29	53.3 Å²	53.3	16%	0.155	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-43.4	174.3	-78.3	-11.1	0	0	0	111.6	C330 K403 I404 E410 N411	C330-N407 WeakPolarHBondContact O-CB 3.3Å; C330-N407 PolarHBondContact O-ND2 3.36Å; K403-N407 PolarHBondContact O-N 2.9Å; I404-N407 PolarHBondContact O-N 3.18Å; N407-E410 PolarHBondContact O-N 3.13Å; N407-N411 WeakPolarHBondContact O-CB 3.12Å; N407-N411 PolarHBondContact O-N 2.94Å; N407-N411 PolarHBondContact O-ND2 3.19Å; N407-N411 VanDerWaalsContact O-ND2 3.16Å
408	L	98.4	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-46.8	179.5	-175.5	62.3	0	0	0	111.8	P329 I381 V385 K386 I404 L405 Q406 N411 L412	P329-L408 HydrophobicContact CB-CD1 3.67Å; I381-L408 HydrophobicContact CB-CD1 4.43Å; I381-L408 HydrophobicContact CG1-CD1 4.07Å; I381-L408 HydrophobicContact CG2-CD1 3.69Å; I381-L408 HydrophobicContact CG2-CG 4.08Å; V385-L408 HydrophobicContact CB-CD1 4.43Å; V385-L408 HydrophobicContact CG1-CD1 3.88Å; V385-L408 HydrophobicContact CG1-CD2 4.05Å; K386-L408 HydrophobicContact CB-CD2 3.88Å; K386-L408 HydrophobicContact CG-CD2 4.23Å; I404-L408 WeakPolarHBondContact O-CB 3.28Å; I404-L408 PolarHBondContact O-N 2.97Å; L405-L408 HydrophobicContact CD2-CD2 4.37Å; L405-L408 WeakPolarHBondContact O-CB 3.34Å; L405-L408 PolarHBondContact O-N 3.39Å; Q406-L408 VanDerWaalsContact C-N 3.35Å; L408-N411 PolarHBondContact O-N 2.9Å; L408-L412 WeakPolarHBondContact O-CB 3.48Å; L408-L412 PolarHBondContact O-N 3.32Å
409	D	98.2	Very high	96.8	Very high	57 Å²	57	50.3 Å²	50.3	31%	0.305	26%	0.255	S	S	.	.	H	α-helix	trans	-69.3	-34.7	179.2	-81.4	-15.4	0	0	0	112.8	K386 L405 Q406 K413	K386-D409 IonicContact NZ-OD1 3.87Å; K386-D409 PolarHBondContact NZ-OD1 3.14Å; K386-D409 IonicContact NZ-OD2 3.56Å; K386-D409 PolarHBondContact NZ-OD2 2.99Å; L405-D409 PolarHBondContact O-N 3.16Å; Q406-D409 PolarHBondContact O-N 2.87Å; D409-K413 WeakPolarHBondContact O-CG 3.4Å; D409-K413 PolarHBondContact O-N 3.38Å
410	E	98.1	Very high	96.5	Very high	94 Å²	94	46.6 Å²	46.6	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-70.4	-42.8	174.6	-166	63.1	-165.7	0	0	112	Q406 N407 L412 K413 N414	Q406-E410 WeakPolarHBondContact O-CB 3.29Å; Q406-E410 PolarHBondContact O-N 2.68Å; N407-E410 PolarHBondContact O-N 3.13Å; E410-L412 VanDerWaalsContact C-N 3.29Å; E410-L412 PolarHBondContact O-N 3.13Å; E410-K413 WeakPolarHBondContact O-CB 3.31Å; E410-K413 PolarHBondContact O-N 3.47Å; E410-K413 WeakPolarHBondContact OE2-CD 3.38Å; E410-K413 WeakPolarHBondContact OE2-CE 3.46Å; E410-K413 IonicContact OE2-NZ 2.65Å; E410-K413 PolarHBondContact OE2-NZ 2.92Å; E410-N414 PolarHBondContact O-N 3.48Å; E410-N414 PolarHBondContact O-ND2 3.28Å
411	N	98.3	Very high	96.1	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-64.4	-34.6	175.1	-68.9	-27.1	0	0	0	112	P329 R331 W333 N407 L408 N414 W415	P329-N411 PolarHBondContact O-ND2 3.41Å; R331-N411 PolarHBondContact O-ND2 3.07Å; W333-N411 WeakPolarHBondContact CA-OD1 3.4Å; W333-N411 HydrophobicContact CE3-CB 4.24Å; W333-N411 HydrophobicContact CZ3-CB 4.48Å; N407-N411 WeakPolarHBondContact O-CB 3.12Å; N407-N411 PolarHBondContact O-N 2.94Å; N407-N411 PolarHBondContact O-ND2 3.19Å; N407-N411 VanDerWaalsContact O-ND2 3.16Å; L408-N411 PolarHBondContact O-N 2.9Å; N411-N414 WeakPolarHBondContact O-CB 3.12Å; N411-N414 PolarHBondContact O-N 2.73Å; N411-W415 PolarHBondContact O-N 3.18Å
412	L	97.5	Very high	95.2	Very high	22 Å²	22	53.1 Å²	53.1	12%	0.115	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-43.8	172.8	-175.8	58.4	0	0	0	111.8	N378 I381 R382 L408 E410 N414 W415 L416	N378-L412 WeakPolarHBondContact OD1-CD1 3.21Å; I381-L412 HydrophobicContact CB-CD1 4.16Å; I381-L412 HydrophobicContact CD1-CD1 4.3Å; I381-L412 HydrophobicContact CG2-CB 4.17Å; I381-L412 HydrophobicContact CG2-CD1 3.86Å; I381-L412 HydrophobicContact CG2-CD2 4.07Å; I381-L412 HydrophobicContact CG2-CG 4.26Å; R382-L412 HydrophobicContact CG-CD1 4.23Å; R382-L412 HydrophobicContact CG-CD2 4.2Å; L408-L412 WeakPolarHBondContact O-CB 3.48Å; L408-L412 PolarHBondContact O-N 3.32Å; E410-L412 VanDerWaalsContact C-N 3.29Å; E410-L412 PolarHBondContact O-N 3.13Å; L412-N414 VanDerWaalsContact C-N 3.32Å; L412-N414 PolarHBondContact O-N 3.3Å; L412-W415 PolarHBondContact O-N 2.96Å; L412-L416 HydrophobicContact CG-CD1 4.23Å; L412-L416 VanDerWaalsContact O-CG 3.31Å; L412-L416 WeakPolarHBondContact O-CG 3.38Å; L412-L416 PolarHBondContact O-N 3.32Å
413	K	97.4	Very high	94.1	Very high	113 Å²	113	53 Å²	53	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-41	173.6	-63.8	168.8	-153.6	163.9	0	112	D409 E410 L416 T417	D409-K413 WeakPolarHBondContact O-CG 3.4Å; D409-K413 PolarHBondContact O-N 3.38Å; E410-K413 WeakPolarHBondContact O-CB 3.31Å; E410-K413 PolarHBondContact O-N 3.47Å; E410-K413 WeakPolarHBondContact OE2-CD 3.38Å; E410-K413 WeakPolarHBondContact OE2-CE 3.46Å; E410-K413 IonicContact OE2-NZ 2.65Å; E410-K413 PolarHBondContact OE2-NZ 2.92Å; K413-L416 PolarHBondContact O-N 2.99Å; K413-T417 PolarHBondContact O-N 3.33Å; K413-T417 PolarHBondContact O-OG1 2.76Å
414	N	97.3	Very high	92.6	Very high	45 Å²	45	53 Å²	53	24%	0.241	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-44.7	176.9	-68.2	-38.4	0	0	0	111.4	W333 E410 N411 L412 T417 D418	W333-N414 HydrophobicContact CD2-CB 4.06Å; W333-N414 HydrophobicContact CE3-CB 3.86Å; W333-N414 HydrophobicContact CH2-CB 3.46Å; W333-N414 VanDerWaalsContact CH2-CB 3.46Å; W333-N414 HydrophobicContact CZ2-CB 3.66Å; W333-N414 HydrophobicContact CZ3-CB 3.56Å; E410-N414 PolarHBondContact O-N 3.48Å; E410-N414 PolarHBondContact O-ND2 3.28Å; N411-N414 WeakPolarHBondContact O-CB 3.12Å; N411-N414 PolarHBondContact O-N 2.73Å; L412-N414 VanDerWaalsContact C-N 3.32Å; L412-N414 PolarHBondContact O-N 3.3Å; N414-T417 WeakPolarHBondContact O-CB 3.48Å; N414-T417 PolarHBondContact O-N 2.96Å; N414-D418 PolarHBondContact O-N 3.08Å
415	W	97.2	Very high	90.6	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-37.6	175.3	-68.7	124.1	0	0	0	113.7	W333 K337 A340 L373 A374 Q377 N411 L412 T417 D418 L419	W333-W415 AromaticContact CH2-CD2 3.76Å; W333-W415 HydrophobicContact CH2-CD2 3.76Å; W333-W415 AromaticContact CH2-CE2 3.76Å; W333-W415 AromaticContact CH2-CE3 3.87Å; W333-W415 HydrophobicContact CH2-CE3 3.87Å; W333-W415 HydrophobicContact CH2-CG 4.35Å; W333-W415 HydrophobicContact CH2-CH2 4.03Å; W333-W415 AromaticContact CH2-CZ2 3.9Å; W333-W415 HydrophobicContact CH2-CZ2 3.9Å; W333-W415 HydrophobicContact CH2-CZ3 4.01Å; W333-W415 AromaticContact CZ3-CD2 3.92Å; W333-W415 HydrophobicContact CZ3-CD2 3.92Å; W333-W415 AromaticContact CZ3-CE2 3.54Å; W333-W415 HydrophobicContact CZ3-CE3 4.47Å; W333-W415 HydrophobicContact CZ3-CG 4.29Å; W333-W415 HydrophobicContact CZ3-CH2 4.38Å; W333-W415 AromaticContact CZ3-CZ2 3.79Å; W333-W415 HydrophobicContact CZ3-CZ2 3.79Å; W333-W415 AromaticContact CZ3-NE1 3.69Å; K337-W415 HydrophobicContact CG-CH2 4.04Å; A340-W415 HydrophobicContact CB-CH2 3.87Å; A340-W415 HydrophobicContact CB-CZ2 3.47Å; A340-W415 VanDerWaalsContact CB-CZ2 3.47Å; L373-W415 HydrophobicContact CD1-CH2 4.24Å; L373-W415 HydrophobicContact CD2-CH2 3.7Å; L373-W415 HydrophobicContact CD2-CZ3 3.84Å; L373-W415 HydrophobicContact CG-CH2 3.7Å; L373-W415 HydrophobicContact CG-CZ3 3.7Å; A374-W415 HydrophobicContact CB-CD2 4.49Å; A374-W415 HydrophobicContact CB-CE3 3.64Å; A374-W415 HydrophobicContact CB-CZ3 4.31Å; Q377-W415 HydrophobicContact CB-CD2 3.89Å; Q377-W415 HydrophobicContact CB-CG 3.95Å; Q377-W415 HydrophobicContact CB-CZ2 4.34Å; Q377-W415 HydrophobicContact CG-CD2 4.27Å; Q377-W415 HydrophobicContact CG-CH2 4.39Å; Q377-W415 HydrophobicContact CG-CZ2 3.86Å; N411-W415 PolarHBondContact O-N 3.18Å; L412-W415 PolarHBondContact O-N 2.96Å; W415-T417 VanDerWaalsContact C-N 3.27Å; W415-T417 PolarHBondContact O-N 2.83Å; W415-D418 PolarHBondContact O-N 3.37Å; W415-L419 WeakPolarHBondContact O-CG 3.4Å; W415-L419 PolarHBondContact O-N 2.95Å
416	L	95.2	Very high	88.3	Confident	84 Å²	84	59.7 Å²	59.7	44%	0.44	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-32.9	173.9	-70.3	169.7	0	0	0	112.1	L412 K413 L419 S420	L412-L416 HydrophobicContact CG-CD1 4.23Å; L412-L416 VanDerWaalsContact O-CG 3.31Å; L412-L416 WeakPolarHBondContact O-CG 3.38Å; L412-L416 PolarHBondContact O-N 3.32Å; K413-L416 PolarHBondContact O-N 2.99Å; L416-L419 HydrophobicContact CD2-CD1 4.43Å; L416-S420 PolarHBondContact O-N 3.04Å
417	T	95	Very high	85.8	Confident	73 Å²	73	60 Å²	60	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-70.3	-46.1	173.8	-54.5	0	0	0	0	111.5	K413 N414 W415 L419 S420 L421	K413-T417 PolarHBondContact O-N 3.33Å; K413-T417 PolarHBondContact O-OG1 2.76Å; N414-T417 WeakPolarHBondContact O-CB 3.48Å; N414-T417 PolarHBondContact O-N 2.96Å; W415-T417 VanDerWaalsContact C-N 3.27Å; W415-T417 PolarHBondContact O-N 2.83Å; T417-L419 PolarHBondContact O-N 3.32Å; T417-S420 PolarHBondContact O-N 2.63Å; T417-S420 PolarHBondContact O-OG 2.72Å; T417-L421 HydrophobicContact CG2-CD1 4.3Å; T417-L421 WeakPolarHBondContact O-CG 3.34Å; T417-L421 PolarHBondContact O-N 3.1Å; T417-L421 VanDerWaalsContact O-N 3.12Å
418	D	91.3	Very high	83.1	Confident	55 Å²	55	63.3 Å²	63.3	29%	0.294	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-36.7	173.9	-83.4	-0.4	0	0	0	111.1	K337 A374 N414 W415 S422	K337-D418 IonicContact NZ-OD2 2.68Å; K337-D418 PolarHBondContact NZ-OD2 2.9Å; A374-D418 HydrophobicContact CB-CB 4.03Å; N414-D418 PolarHBondContact O-N 3.08Å; W415-D418 PolarHBondContact O-N 3.37Å; D418-S422 PolarHBondContact O-N 3.31Å
419	L	91	Very high	80	Confident	40 Å²	40	67.5 Å²	67.5	21%	0.209	41%	0.406	C	S	.	.	H	α-helix	trans	-64.9	-49.3	173.8	-79.5	170	0	0	0	113	A374 R375 N378 W415 L416 T417 L421 S422 S423	A374-L419 HydrophobicContact CB-CD2 4.02Å; A374-L419 HydrophobicContact CB-CG 3.73Å; R375-L419 HydrophobicContact CB-CD2 4.04Å; N378-L419 HydrophobicContact CB-CD1 4.03Å; W415-L419 WeakPolarHBondContact O-CG 3.4Å; W415-L419 PolarHBondContact O-N 2.95Å; L416-L419 HydrophobicContact CD2-CD1 4.43Å; T417-L419 PolarHBondContact O-N 3.32Å; L419-L421 VanDerWaalsContact C-N 3.34Å; L419-L421 PolarHBondContact O-N 3.02Å; L419-S422 PolarHBondContact O-N 3.48Å; L419-S422 PolarHBondContact O-OG 3.47Å; L419-S423 PolarHBondContact O-N 3.06Å; L419-S423 VanDerWaalsContact O-N 3.15Å
420	S	91.1	Very high	76.9	Confident	63 Å²	63	70.8 Å²	70.8	44%	0.441	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-42.8	-177.3	69.8	0	0	0	0	111.6	L416 T417 S422 S423 S424	L416-S420 PolarHBondContact O-N 3.04Å; T417-S420 PolarHBondContact O-N 2.63Å; T417-S420 PolarHBondContact O-OG 2.72Å; S420-S422 PolarHBondContact O-N 2.96Å; S420-S423 PolarHBondContact O-N 3.07Å; S420-S423 PolarHBondContact O-OG 2.99Å; S420-S424 PolarHBondContact O-N 3.43Å
421	L	87.9	Confident	73.8	Confident	102 Å²	102	71.6 Å²	71.6	53%	0.534	45%	0.45	S	S	.	.	H	α-helix	trans	-56.9	-47.3	174.3	-69.6	170.2	0	0	0	111.5	T417 L419 S423 S424 S425	T417-L421 HydrophobicContact CG2-CD1 4.3Å; T417-L421 WeakPolarHBondContact O-CG 3.34Å; T417-L421 PolarHBondContact O-N 3.1Å; T417-L421 VanDerWaalsContact O-N 3.12Å; L419-L421 VanDerWaalsContact C-N 3.34Å; L419-L421 PolarHBondContact O-N 3.02Å; L421-S423 VanDerWaalsContact C-N 3.27Å; L421-S423 PolarHBondContact O-N 2.85Å; L421-S424 PolarHBondContact O-N 2.92Å; L421-S424 PolarHBondContact O-OG 3.49Å; L421-S425 PolarHBondContact O-N 3.01Å; L421-S425 PolarHBondContact O-OG 3.07Å
422	S	79.1	Confident	70.5	Confident	57 Å²	57	74.8 Å²	74.8	40%	0.399	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-30	179.2	74.9	0	0	0	0	114.2	D418 L419 S420 S425	D418-S422 PolarHBondContact O-N 3.31Å; L419-S422 PolarHBondContact O-N 3.48Å; L419-S422 PolarHBondContact O-OG 3.47Å; S420-S422 PolarHBondContact O-N 2.96Å; S422-S425 PolarHBondContact O-OG 3.3Å; S422-S425 VanDerWaalsContact O-OG 3.07Å
423	S	73.8	Confident	67.2	Low	70 Å²	70	82.3 Å²	82.3	49%	0.49	52%	0.52	S	S	.	.	H	α-helix	trans	-76.5	-40	175.1	70.5	0	0	0	0	112.7	L419 S420 L421 S425 S426	L419-S423 PolarHBondContact O-N 3.06Å; L419-S423 VanDerWaalsContact O-N 3.15Å; S420-S423 PolarHBondContact O-N 3.07Å; S420-S423 PolarHBondContact O-OG 2.99Å; L421-S423 VanDerWaalsContact C-N 3.27Å; L421-S423 PolarHBondContact O-N 2.85Å; S423-S425 VanDerWaalsContact C-N 3.28Å; S423-S425 PolarHBondContact O-N 2.93Å; S423-S426 PolarHBondContact O-N 2.93Å; S423-S426 PolarHBondContact O-OG 3.41Å
424	S	64.6	Low	63.9	Low	65 Å²	65	82.6 Å²	82.6	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-64.6	-30	-177.9	68.7	0	0	0	0	113.7	S420 L421 S426 T427	S420-S424 PolarHBondContact O-N 3.43Å; L421-S424 PolarHBondContact O-N 2.92Å; L421-S424 PolarHBondContact O-OG 3.49Å; S424-S426 VanDerWaalsContact C-N 3.34Å; S424-S426 PolarHBondContact O-N 3.13Å; S424-T427 PolarHBondContact O-OG1 3.37Å; S424-T427 VanDerWaalsContact O-OG1 3.1Å
425	S	56.9	Low	60.6	Low	75 Å²	75	87.3 Å²	87.3	52%	0.524	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75	-15.1	179.5	50.2	0	0	0	0	115.1	L421 S422 S423	L421-S425 PolarHBondContact O-N 3.01Å; L421-S425 PolarHBondContact O-OG 3.07Å; S422-S425 PolarHBondContact O-OG 3.3Å; S422-S425 VanDerWaalsContact O-OG 3.07Å; S423-S425 VanDerWaalsContact C-N 3.28Å; S423-S425 PolarHBondContact O-N 2.93Å
426	S	50.3	Low	57.4	Low	89 Å²	89	96.1 Å²	96.1	62%	0.622	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-14.3	179.4	65.2	0	0	0	0	113.7	S423 S424	S423-S426 PolarHBondContact O-N 2.93Å; S423-S426 PolarHBondContact O-OG 3.41Å; S424-S426 VanDerWaalsContact C-N 3.34Å; S424-S426 PolarHBondContact O-N 3.13Å
427	T	44.5	Very low	54.3	Low	123 Å²	123	98.6 Å²	98.6	76%	0.755	61%	0.609	S	S	*	*	S	Bend	trans	-96.1	-3.3	-175.4	39.5	0	0	0	0	115.6	S424	S424-T427 PolarHBondContact O-OG1 3.37Å; S424-T427 VanDerWaalsContact O-OG1 3.1Å
428	S	42.2	Very low	51.1	Low	98 Å²	98	102 Å²	102	69%	0.685	63%	0.625	S	S	*	*	S	Bend	trans	-116.5	12.3	-172.8	54.7	0	0	0	0	115.2
429	S	33.6	Very low	48.1	Very low	87 Å²	87	108.6 Å²	108.6	61%	0.608	65%	0.645	S	S	*	*			trans	-132.1	53.5	-172.1	47.9	0	0	0	0	113.5
430	S	33.6	Very low	45.3	Very low	127 Å²	127	115.9 Å²	115.9	89%	0.888	68%	0.678	S	S	*	*	S	Bend	trans	-110.8	36.6	170.3	-157.1	0	0	0	0	112.7
431	S	32.4	Very low	42.4	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	70%	0.698	S	S	*	*	S	Bend	trans	-166.8	95.1	172.4	54.8	0	0	0	0	111.1
432	G	28.2	Very low	39.6	Very low	70 Å²	70	121 Å²	121	72%	0.722	71%	0.71	S	S	*	*			trans	95.2	156.5	168.8	0	0	0	0	0	116.7
433	M	29.2	Very low	37.2	Very low	181 Å²	181	126 Å²	126	89%	0.892	73%	0.731	S	S	*	*			trans	70.6	85.1	171.2	-56.8	-173.8	78.7	0	0	117.4
434	T	27.1	Very low	35.1	Very low	119 Å²	119	126.3 Å²	126.3	73%	0.73	73%	0.727	S	S	*	*			trans	-37.1	151.3	130.1	45.3	0	0	0	0	112.7
435	N	28.5	Very low	33.7	Very low	144 Å²	144	129.1 Å²	129.1	77%	0.77	75%	0.747	S	S	*	*			trans	85.8	74.1	174.9	-50.8	-32.3	0	0	0	117.9
436	Y	29.8	Very low	32.4	Very low	186 Å²	186	134.7 Å²	134.7	73%	0.729	77%	0.765	S	S	*	*			trans	-140.4	43.9	152	-109.9	-78.2	0	0	0	114.3
437	V	30.5	Very low	31.4	Very low	135 Å²	135	138 Å²	138	82%	0.818	77%	0.774	S	S	*	*			trans	-110.1	87.8	163.2	-178.2	0	0	0	0	108.2
438	N	28.3	Very low	30.7	Very low	145 Å²	145	139.3 Å²	139.3	78%	0.775	78%	0.776	S	S	*	*			trans	164.8	75.3	158.1	-88.2	-30.8	0	0	0	111.8
439	R	27.9	Very low	30	Very low	193 Å²	193	138.7 Å²	138.7	73%	0.728	77%	0.772	S	S	*	*			trans	-144.4	66.1	161.9	-79.7	-159.4	-179.3	-172.8	1.8	112.4
440	H	32.6	Very low	29.9	Very low	193 Å²	193	140.7 Å²	140.7	89%	0.894	78%	0.781	S	S	*	*	S	Bend	trans	-162.7	52.6	151.2	-97.1	-63.9	0	0	0	109.8
441	N	28.6	Very low	29.7	Very low	161 Å²	161	142.4 Å²	142.4	86%	0.861	78%	0.779	S	S	*	*			trans	-159.7	64.2	175.1	-98.4	-31.5	0	0	0	110.8
442	S	29.4	Very low	29.6	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	78%	0.777	S	S	*	*			trans	-155.4	71.1	173.5	66.2	0	0	0	0	113.3
443	L	29.1	Very low	29.7	Very low	162 Å²	162	147.4 Å²	147.4	85%	0.848	79%	0.785	S	S	*	*	S	Bend	trans	-124	75.3	154.3	-82.5	173.2	0	0	0	107.5
444	D	30.7	Very low	29.8	Very low	76 Å²	76	143.3 Å²	143.3	41%	0.406	78%	0.775	S	S	.	*	S	Bend	trans	171.4	81.2	156.1	-88	-12.9	0	0	0	111.6	R35 R37	R35-D444 IonicContact CZ-OD1 2.72Å; R35-D444 IonicContact CZ-OD2 3.1Å; R35-D444 IonicContact NH1-OD1 3.69Å; R35-D444 PolarHBondContact NH1-OD1 2.9Å; R35-D444 IonicContact NH1-OD2 3.26Å; R35-D444 PolarHBondContact NH1-OD2 2.89Å; R35-D444 IonicContact NH2-OD1 3.82Å; R35-D444 PolarHBondContact NH2-OD1 3.17Å; R35-D444 VanDerWaalsContact NH2-OD1 3.09Å; R37-D444 IonicContact CZ-OD2 3.68Å; R37-D444 IonicContact NE-OD2 3.87Å; R37-D444 IonicContact NH2-OD2 2.99Å; R37-D444 PolarHBondContact NH2-OD2 3.09Å
445	S	33.6	Very low	29.9	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	78%	0.776	S	S	*	*			trans	174.3	86.7	148.3	46.6	0	0	0	0	111.4
446	Q	29.8	Very low	30.2	Very low	193 Å²	193	144 Å²	144	90%	0.902	77%	0.774	S	S	*	*			trans	-79.7	128.7	153.5	-72	176.9	-22.6	0	0	107.7
447	L	30.8	Very low	30.3	Very low	157 Å²	157	141.2 Å²	141.2	82%	0.822	77%	0.772	S	S	*	*			trans	178.6	122	139.1	-96	165.7	0	0	0	108.5
448	L	29.5	Very low	30.4	Very low	152 Å²	152	140.5 Å²	140.5	80%	0.796	76%	0.763	S	S	*	*			trans	32.4	141.9	157.2	-84.5	72.8	0	0	0	120.3
449	S	27	Very low	30.7	Very low	85 Å²	85	139.7 Å²	139.7	59%	0.594	76%	0.759	S	S	*	*			cis	158.1	162.8	-11.1	48.1	0	0	0	0	106
450	T	31.5	Very low	30.9	Very low	129 Å²	129	138.6 Å²	138.6	79%	0.791	76%	0.762	S	S	*	*			trans	74.9	145.1	175.3	82.3	0	0	0	0	117.1
451	L	29	Very low	30.7	Very low	163 Å²	163	134.2 Å²	134.2	85%	0.853	75%	0.753	S	S	*	*			cis	-161.7	153.7	-42.4	-109.5	163.9	0	0	0	106.6
452	P	30.7	Very low	30.8	Very low	112 Å²	112	134.2 Å²	134.2	73%	0.727	75%	0.752	S	S	*	*			trans	-111.6	160.6	-167.8	40.7	-33.4	0	0	0	115.7
453	L	30.2	Very low	30.9	Very low	173 Å²	173	133.6 Å²	133.6	91%	0.906	75%	0.747	S	S	*	*			trans	-165	154.4	166.1	-87.7	163.4	0	0	0	107
454	S	31.4	Very low	30.8	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	74%	0.738	S	S	*	*			cis	-168.3	141.8	-6.9	54.4	0	0	0	0	113.2
455	N	29.7	Very low	30.8	Very low	143 Å²	143	134.9 Å²	134.9	77%	0.765	76%	0.762	S	S	*	*			trans	56.1	152.3	138.4	-80	7.2	0	0	0	126.9
456	N	33.9	Very low	30.5	Very low	134 Å²	134	136.9 Å²	136.9	72%	0.717	76%	0.758	S	S	*	*			trans	82.6	143.9	150.5	-70.7	-4.8	0	0	0	120.4
457	N	31.6	Very low	30.6	Very low	128 Å²	128	136 Å²	136	68%	0.684	76%	0.757	S	S	*	*			cis	-170	168.4	-30.7	-131.4	-6	0	0	0	111
458	N	33.6	Very low	30.5	Very low	121 Å²	121	136.9 Å²	136.9	65%	0.647	76%	0.755	S	S	*	*			trans	82.8	126.8	150.9	-64.9	-6	0	0	0	123.7
459	N	33.6	Very low	30.6	Very low	128 Å²	128	135.6 Å²	135.6	68%	0.684	76%	0.755	S	S	*	*			trans	73.4	145.4	138.4	-60	-5.3	0	0	0	120.2
460	Q	33.5	Very low	30.7	Very low	170 Å²	170	141.5 Å²	141.5	79%	0.794	77%	0.77	S	S	*	*			cis	-157	170.3	-13.1	-119.1	169.3	-6.7	0	0	110.6
461	S	27	Very low	30.5	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	77%	0.771	S	S	*	*			trans	-63.9	160	-175.4	51.7	0	0	0	0	117.8
462	I	32.2	Very low	30.5	Very low	162 Å²	162	141.7 Å²	141.7	83%	0.831	77%	0.771	S	S	*	*				-167.3	153.8	120.9	-95.5	151.9	0	0	0	112.2
463	S	30.3	Very low	30.3	Very low	99 Å²	99	145.1 Å²	145.1	69%	0.692	77%	0.774	S	S	*	*			trans	-71.1	173.1	-175.4	58.1	0	0	0	0	114.5
464	S	27.8	Very low	30.3	Very low	93 Å²	93	141.4 Å²	141.4	65%	0.65	76%	0.763	S	S	*	*			cis	168	146.2	-10.6	52.3	0	0	0	0	106.8
465	N	31.1	Very low	30.2	Very low	171 Å²	171	145 Å²	145	91%	0.914	77%	0.769	S	S	*	*			trans	-175	153	140.7	-99	-24.5	0	0	0	113.8
466	Q	27	Very low	30	Very low	167 Å²	167	145.7 Å²	145.7	78%	0.78	77%	0.771	S	S	*	*			trans	-112.8	148.6	-171.5	-52	172.1	3.5	0	0	112.2
467	I	31.7	Very low	29.8	Very low	174 Å²	174	143.5 Å²	143.5	89%	0.892	77%	0.766	S	S	*	*			trans	-142.2	141.5	149.3	-60.9	-172.6	0	0	0	109.8
468	K	28.9	Very low	29.6	Very low	176 Å²	176	144.5 Å²	144.5	77%	0.765	77%	0.772	S	S	*	*			trans	-105.4	160.4	-177.9	-78.4	176.2	176.2	174.1	0	112.9
469	P	30.8	Very low	29.4	Very low	125 Å²	125	148.4 Å²	148.4	81%	0.812	79%	0.786	S	S	*	*			trans	-88.7	171.6	-176.6	36.6	-37	0	0	0	114.7
470	K	30.1	Very low	29.1	Very low	208 Å²	208	151.7 Å²	151.7	90%	0.904	79%	0.794	S	S	*	*			trans	-127.7	153.2	172.3	-85.9	-175.1	174.3	179.9	0	112.4
471	T	25.6	Very low	28.7	Very low	132 Å²	132	149 Å²	149	81%	0.81	79%	0.794	S	S	*	*			trans	-127.4	140.6	178.7	-46	0	0	0	0	109.1
472	I	30.2	Very low	28.8	Very low	165 Å²	165	154.2 Å²	154.2	85%	0.846	80%	0.804	S	S	*	*			trans	-136.5	149	169.9	-63.8	-175.6	0	0	0	109.3
473	K	27	Very low	28.4	Very low	183 Å²	183	155 Å²	155	80%	0.796	81%	0.808	S	S	*	*			trans	-114.2	173.1	-174.4	-72.8	-179	173	179.8	0	112.4
474	S	29.6	Very low	28.3	Very low	96 Å²	96	158.9 Å²	158.9	67%	0.671	82%	0.815	S	S	*	*			trans	91.7	143.2	135.3	54.6	0	0	0	0	123.1
475	E	29.4	Very low	28.2	Very low	171 Å²	171	162.4 Å²	162.4	80%	0.799	83%	0.826	S	S	*	*			trans	75.7	154.7	155.1	-73.7	147	-139.8	0	0	120.9
476	I	25.8	Very low	28	Very low	156 Å²	156	163.6 Å²	163.6	80%	0.8	83%	0.826	S	S	*	*			cis	-170.5	161.2	-49.3	-110.9	167.4	0	0	0	108.5
477	S	29.2	Very low	27.9	Very low	89 Å²	89	164.5 Å²	164.5	62%	0.622	83%	0.828	S	S	*	*			trans	86.7	109.8	157.8	-177.7	0	0	0	0	122.2
478	N	27	Very low	27.8	Very low	148 Å²	148	162 Å²	162	79%	0.791	82%	0.822	S	S	*	*			trans	49.8	123.7	131.6	-55.9	-38.6	0	0	0	123.1
479	Q	30.3	Very low	27.6	Very low	204 Å²	204	163.5 Å²	163.5	95%	0.953	83%	0.829	S	S	*	*				-162.7	168.7	117	-108.4	175.7	24	0	0	113.1
480	K	27.1	Very low	27.5	Very low	196 Å²	196	164.6 Å²	164.6	85%	0.852	83%	0.827	S	S	*	*			trans	-99.1	158.6	-162.7	-71	175.9	174	175.9	0	114.9
481	S	25.5	Very low	27.3	Very low	114 Å²	114	157.9 Å²	157.9	80%	0.797	82%	0.817	S	S	*	*			trans	61.9	105.4	145.2	59.5	0	0	0	0	121.2
482	K	28.4	Very low	27.3	Very low	209 Å²	209	156.5 Å²	156.5	91%	0.909	81%	0.813	S	S	*	*				-154.3	142.9	121.1	-115.2	176.5	-179.9	-178.8	0	109.9
483	I	24.6	Very low	27.2	Very low	179 Å²	179	156.2 Å²	156.2	92%	0.918	81%	0.811	S	S	*	*			trans	-92.4	121.5	178.4	-65.2	168.2	0	0	0	107.5
484	E	26.3	Very low	27.1	Very low	180 Å²	180	154.7 Å²	154.7	84%	0.841	81%	0.807	S	S	*	*			trans	-145.3	145	176.5	-159.4	164.2	-147	0	0	109.7	Q486	E484-Q486 PolarHBondContact O-N 2.94Å
485	L	27.4	Very low	27	Very low	167 Å²	167	157.5 Å²	157.5	87%	0.874	81%	0.813	S	S	*	*			trans	-68.4	127.7	-164.7	-70.6	100.7	0	0	0	113.1	K487	L485-K487 PolarHBondContact O-N 3.04Å; L485-K487 VanDerWaalsContact O-N 3.13Å
486	Q	25.7	Very low	26.8	Very low	197 Å²	197	153.4 Å²	153.4	92%	0.921	80%	0.8	S	S	*	*			trans	-68.6	107.8	171.4	-75.3	-178.5	-18.3	0	0	111.3	E484	E484-Q486 PolarHBondContact O-N 2.94Å
487	K	25.9	Very low	26.9	Very low	186 Å²	186	154.5 Å²	154.5	81%	0.809	80%	0.802	S	S	*	*			trans	-69.9	142.8	161.7	-64.7	174.9	179.3	175.5	0	109.4	L485 F489	L485-K487 PolarHBondContact O-N 3.04Å; L485-K487 VanDerWaalsContact O-N 3.13Å; K487-F489 PolarHBondContact O-N 2.8Å
488	P	28.2	Very low	26.8	Very low	120 Å²	120	155.6 Å²	155.6	78%	0.779	81%	0.809	S	S	*	*			trans	-67.2	133.2	175.6	27.9	-32.9	0	0	0	110.6	I490	P488-I490 PolarHBondContact O-N 2.85Å
489	F	25.4	Very low	26.8	Very low	208 Å²	208	153.8 Å²	153.8	91%	0.912	81%	0.806	S	S	*	*			trans	-86.9	101.7	-171	-143.4	-94.1	0	0	0	110.4	K487	K487-F489 PolarHBondContact O-N 2.8Å
490	I	27.7	Very low	26.7	Very low	148 Å²	148	150.8 Å²	150.8	76%	0.759	80%	0.795	S	S	*	*			trans	-91	121.8	169.7	-65.5	174.7	0	0	0	108.7	P488 S492	P488-I490 PolarHBondContact O-N 2.85Å; I490-S492 PolarHBondContact O-N 3.12Å; I490-S492 VanDerWaalsContact O-N 3.15Å
491	G	26.3	Very low	26.7	Very low	67 Å²	67	149.6 Å²	149.6	69%	0.691	79%	0.792	S	S	*	*			trans	-67.6	108.2	172.5	0	0	0	0	0	111.5
492	S	26	Very low	26.8	Very low	104 Å²	104	152.9 Å²	152.9	73%	0.727	80%	0.795	S	S	*	*			trans	-8.4	140.1	163.5	-50.3	0	0	0	0	117.1	I490	I490-S492 PolarHBondContact O-N 3.12Å; I490-S492 VanDerWaalsContact O-N 3.15Å
493	I	28.2	Very low	26.6	Very low	159 Å²	159	149.9 Å²	149.9	82%	0.815	79%	0.787	S	S	*	*				-137.5	141.8	62.7	-75.4	155.6	0	0	0	113
494	H	24.7	Very low	26.6	Very low	150 Å²	150	149.2 Å²	149.2	69%	0.694	78%	0.78	S	S	*	*			trans	-50.2	145.3	-179.7	-111.1	-112.9	0	0	0	116.3
495	L	27.6	Very low	26.7	Very low	156 Å²	156	147.6 Å²	147.6	82%	0.817	78%	0.783	S	S	*	*				-164.3	113.4	103.3	-96.8	166.9	0	0	0	111.4
496	T	25.4	Very low	26.5	Very low	85 Å²	85	147.5 Å²	147.5	52%	0.521	78%	0.78	S	S	.	*			trans	3.6	127.6	151.1	52.4	0	0	0	0	117.6
497	H	28.8	Very low	26.6	Very low	179 Å²	179	145.2 Å²	145.2	83%	0.829	77%	0.774	S	S	*	*				-148.4	162.2	51.3	-81.1	-96.7	0	0	0	114.9
498	S	25.6	Very low	26.6	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	77%	0.769	S	S	*	*			trans	-138.7	168.1	164.5	-50.5	0	0	0	0	106.4
499	P	28.4	Very low	26.6	Very low	110 Å²	110	139.3 Å²	139.3	71%	0.714	76%	0.764	S	S	*	*			cis	-129.2	-177.5	30.2	24.8	2.3	0	0	0	113.2
500	I	28.4	Very low	26.8	Very low	141 Å²	141	138.1 Å²	138.1	72%	0.723	76%	0.761	S	S	*	*				170.8	114.6	91.5	-86.5	156.6	0	0	0	104.4
501	Q	26	Very low	26.8	Very low	171 Å²	171	135.4 Å²	135.4	80%	0.799	76%	0.756	S	S	*	*				34.5	108.6	99.8	-77.9	-177.5	-60.5	0	0	113.6
502	E	27.7	Very low	26.9	Very low	182 Å²	182	138.9 Å²	138.9	85%	0.85	76%	0.758	S	S	*	*				-176.5	152.9	92.6	-98.8	161	-174.3	0	0	110.9
503	I	24.2	Very low	27	Very low	146 Å²	146	140.6 Å²	140.6	75%	0.749	76%	0.758	S	S	*	*			trans	-109.3	144.8	160.8	-75.7	173.3	0	0	0	106.1
504	E	25	Very low	27	Very low	166 Å²	166	137 Å²	137	78%	0.776	75%	0.748	S	S	*	*			trans	80.8	141.2	163.5	-82	161.5	-151.8	0	0	121.6
505	T	28.3	Very low	27.2	Very low	145 Å²	145	135.8 Å²	135.8	89%	0.89	75%	0.751	S	S	*	*			trans	93.1	126.8	162.6	67.6	0	0	0	0	120.8
506	M	23.1	Very low	27.4	Very low	166 Å²	166	133.6 Å²	133.6	82%	0.818	74%	0.744	S	S	*	*			trans	-78.2	142.8	174.7	-55.9	156.1	151.2	0	0	110.7
507	N	27	Very low	27.5	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	75%	0.751	S	S	*	*				163	142	107.8	-86.4	-45.3	0	0	0	114.8
508	A	27.5	Very low	27.6	Very low	86 Å²	86	132.3 Å²	132.3	71%	0.711	74%	0.744	S	S	*	*			trans	64.4	116	140.6	0	0	0	0	0	122.8
509	S	27.5	Very low	27.8	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	74%	0.738	S	S	*	*				72.7	120.7	126.1	62.4	0	0	0	0	122.6
510	E	28.5	Very low	27.9	Very low	184 Å²	184	134 Å²	134	86%	0.86	74%	0.739	S	S	*	*			trans	71.2	143.9	130.7	-67.4	172.4	-166.8	0	0	119.4
511	S	27.9	Very low	28	Very low	91 Å²	91	133.4 Å²	133.4	64%	0.636	74%	0.737	S	S	*	*			cis	-168.8	170.6	-11.6	55.6	0	0	0	0	111.6
512	L	29.3	Very low	27.9	Very low	140 Å²	140	132.7 Å²	132.7	73%	0.733	74%	0.738	S	S	*	*			trans	68.2	124.3	154.6	-96.2	76.1	0	0	0	122
513	D	28.5	Very low	28	Very low	139 Å²	139	133 Å²	133	74%	0.743	74%	0.739	S	S	*	*				62.1	147.5	124.1	-65.7	0.9	0	0	0	122.6
514	S	28.1	Very low	28.1	Very low	85 Å²	85	131.6 Å²	131.6	59%	0.594	74%	0.742	S	S	*	*			cis	-173.2	163.8	-15.3	57.7	0	0	0	0	110.3
515	T	29.6	Very low	28.2	Very low	123 Å²	123	127.1 Å²	127.1	76%	0.755	74%	0.74	S	S	*	*			trans	64.3	154.7	158.7	64.6	0	0	0	0	117.9
516	T	29.9	Very low	28.1	Very low	110 Å²	110	130.1 Å²	130.1	68%	0.675	74%	0.741	S	S	*	*			cis	-158.2	143.1	2.4	-0.6	0	0	0	0	110.8
517	T	28.7	Very low	28.2	Very low	111 Å²	111	128.9 Å²	128.9	68%	0.681	74%	0.737	S	S	*	*			trans	31.4	137.2	137.8	65.7	0	0	0	0	120.7
518	N	31.3	Very low	28.1	Very low	126 Å²	126	130.2 Å²	130.2	67%	0.674	74%	0.738	S	S	*	*				-179.3	142	58.9	-118.3	-21.4	0	0	0	113.8
519	N	28.1	Very low	28.1	Very low	124 Å²	124	133.5 Å²	133.5	66%	0.663	74%	0.739	S	S	*	*			trans	38.9	122.9	132.4	-61.2	-10.3	0	0	0	122.5
520	N	30.7	Very low	27.9	Very low	134 Å²	134	134.1 Å²	134.1	72%	0.717	74%	0.739	S	S	*	*				171.2	152	88.9	-97.2	-38.4	0	0	0	116.8
521	N	30.1	Very low	27.7	Very low	129 Å²	129	131.7 Å²	131.7	69%	0.69	73%	0.73	S	S	*	*			trans	64	109.1	154.3	-59.2	-21.6	0	0	0	119.7
522	L	25.5	Very low	27.6	Very low	156 Å²	156	136.2 Å²	136.2	82%	0.817	74%	0.739	S	S	*	*				63.1	103.7	80.5	-89.5	84.9	0	0	0	115.4
523	H	29.8	Very low	27.5	Very low	189 Å²	189	136.5 Å²	136.5	88%	0.875	74%	0.739	S	S	*	*				-153.4	135.4	116.3	-126.5	-66.3	0	0	0	112.5
524	S	25.4	Very low	27.4	Very low	115 Å²	115	134.3 Å²	134.3	80%	0.804	73%	0.732	S	S	*	*			trans	-83	137.2	174.8	51.6	0	0	0	0	111.2
525	G	27.9	Very low	27.5	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	73%	0.733	S	S	*	*			trans	-141.7	98.6	178.2	0	0	0	0	0	111.3	L527	G525-L527 PolarHBondContact O-N 3.45Å
526	K	25.1	Very low	27.5	Very low	208 Å²	208	139.3 Å²	139.3	90%	0.904	74%	0.735	S	S	*	*			trans	-67.2	126.1	173.3	-69.6	171.7	177.4	172.2	0	109.5
527	L	26.6	Very low	27.6	Very low	139 Å²	139	139.4 Å²	139.4	73%	0.728	74%	0.735	S	S	*	*			trans	-126.9	93.5	159.1	-142.2	80.2	0	0	0	110.6	G525 Q529	G525-L527 PolarHBondContact O-N 3.45Å; L527-Q529 HydrophobicContact CD2-CG 3.95Å; L527-Q529 HydrophobicContact CG-CG 4.37Å; L527-Q529 PolarHBondContact O-N 2.98Å
528	H	24.7	Very low	27.8	Very low	177 Å²	177	139.5 Å²	139.5	82%	0.819	73%	0.73	S	S	*	*			trans	-66.9	109.1	158.9	-93.4	33.5	0	0	0	108.1
529	Q	26.3	Very low	28	Very low	154 Å²	154	142.5 Å²	142.5	72%	0.72	73%	0.732	S	S	*	*			trans	-103.2	90.2	163.5	-81.5	-170.6	-7.5	0	0	110.5	L527 I531	L527-Q529 HydrophobicContact CD2-CG 3.95Å; L527-Q529 HydrophobicContact CG-CG 4.37Å; L527-Q529 PolarHBondContact O-N 2.98Å; Q529-I531 PolarHBondContact O-N 3Å; Q529-I531 VanDerWaalsContact O-N 3.12Å
530	T	23.5	Very low	28.3	Very low	110 Å²	110	147 Å²	147	68%	0.675	74%	0.74	S	S	*	*			trans	-65.2	99.3	167.5	-54.7	0	0	0	0	109.8	F532	T530-F532 HydrophobicContact CG2-CD2 4.21Å; T530-F532 HydrophobicContact CG2-CE2 4.45Å; T530-F532 PolarHBondContact O-N 2.99Å
531	I	25.6	Very low	28.6	Very low	133 Å²	133	148.4 Å²	148.4	68%	0.682	74%	0.742	S	S	*	*			trans	-87.4	103.1	173.4	-62.3	-178	0	0	0	109.8	Q529 I533	Q529-I531 PolarHBondContact O-N 3Å; Q529-I531 VanDerWaalsContact O-N 3.12Å; I531-I533 HydrophobicContact CG2-CG1 4.13Å; I531-I533 PolarHBondContact O-N 3.28Å
532	F	24.7	Very low	29.1	Very low	185 Å²	185	143.6 Å²	143.6	81%	0.811	72%	0.718	S	S	*	*			trans	-65.6	96.2	167.5	-103.4	-98.5	0	0	0	110.3	T530 T534	T530-F532 HydrophobicContact CG2-CD2 4.21Å; T530-F532 HydrophobicContact CG2-CE2 4.45Å; T530-F532 PolarHBondContact O-N 2.99Å; F532-T534 PolarHBondContact O-N 2.83Å
533	I	27.5	Very low	30.2	Very low	146 Å²	146	141.2 Å²	141.2	75%	0.749	71%	0.706	S	S	*	*			trans	-77.2	106.1	168.7	-61	-176.6	0	0	0	108.9	I531 T535	I531-I533 HydrophobicContact CG2-CG1 4.13Å; I531-I533 PolarHBondContact O-N 3.28Å; I533-T535 PolarHBondContact O-N 3.27Å; I533-T535 VanDerWaalsContact O-N 3.16Å
534	T	25.6	Very low	31	Very low	94 Å²	94	136.6 Å²	136.6	58%	0.577	69%	0.693	S	S	*	*			trans	-61.1	112.4	-175.6	41.2	0	0	0	0	113.4	F532 R536	F532-T534 PolarHBondContact O-N 2.83Å; T534-R536 PolarHBondContact O-N 3.31Å
535	T	30.5	Very low	31.9	Very low	103 Å²	103	137.5 Å²	137.5	63%	0.632	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	12.8	171.3	46.9	0	0	0	0	115.1	I533	I533-T535 PolarHBondContact O-N 3.27Å; I533-T535 VanDerWaalsContact O-N 3.16Å
536	R	28.9	Very low	32.9	Very low	209 Å²	209	137 Å²	137	79%	0.789	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-22.8	179.4	-91.7	-179	165.6	144.2	-3.3	114.5	T534	T534-R536 PolarHBondContact O-N 3.31Å
537	V	32.1	Very low	33.7	Very low	113 Å²	113	131.8 Å²	131.8	69%	0.685	65%	0.645	S	S	*	*	S	Bend	trans	-85.5	-33.4	-179.1	-176.8	0	0	0	0	112.4	R539	V537-R539 PolarHBondContact O-N 3.29Å
538	I	34	Very low	34.7	Very low	112 Å²	112	130 Å²	130	57%	0.574	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-70.5	-17.4	-177.7	-62.6	173.2	0	0	0	112.8	R540 S542	I538-R540 VanDerWaalsContact C-N 3.34Å; I538-R540 PolarHBondContact O-N 3.25Å; I538-S542 PolarHBondContact O-OG 2.89Å
539	R	35.6	Very low	35.6	Very low	190 Å²	190	124 Å²	124	72%	0.717	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-74.6	-5.9	-175.5	-82.6	-176.1	175.6	168.7	1.6	116.4	V537	V537-R539 PolarHBondContact O-N 3.29Å
540	R	35.2	Very low	36.6	Very low	219 Å²	219	120.1 Å²	120.1	83%	0.826	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-109.5	-7.4	-173.2	-84.1	-176.3	167.8	161.3	-3.2	117	I538	I538-R540 VanDerWaalsContact C-N 3.34Å; I538-R540 PolarHBondContact O-N 3.25Å
541	H	35.2	Very low	37.6	Very low	163 Å²	163	123.5 Å²	123.5	76%	0.755	60%	0.601	S	S	*	*	S	Bend	trans	-136.8	11.4	-172.4	-67.3	-66.1	0	0	0	116.4
542	S	41.3	Very low	38.5	Very low	28 Å²	28	124.2 Å²	124.2	20%	0.196	60%	0.599	C	S	.	*			trans	-103.3	133.6	177.8	42.9	0	0	0	0	112.1	I538 Q547	I538-S542 PolarHBondContact O-OG 2.89Å; S542-Q547 PolarHBondContact O-NE2 3.41Å; S542-Q547 WeakPolarHBondContact OG-CG 3.33Å
543	L	48.7	Very low	39.2	Very low	106 Å²	106	120.2 Å²	120.2	56%	0.555	59%	0.59	S	S	*	*			trans	-63.2	154.9	172.9	-79.5	162.2	0	0	0	111.1	E545 T546 Q547	L543-E545 VanDerWaalsContact C-N 3.27Å; L543-E545 PolarHBondContact O-N 2.88Å; L543-T546 WeakPolarHBondContact O-CA 3.48Å; L543-T546 WeakPolarHBondContact O-CB 3.19Å; L543-T546 PolarHBondContact O-N 3.39Å; L543-Q547 WeakPolarHBondContact O-CG 3.35Å; L543-Q547 PolarHBondContact O-N 3.1Å
544	P	46.4	Very low	39.6	Very low	92 Å²	92	120.1 Å²	120.1	60%	0.597	58%	0.584	S	S	*	*	H	α-helix	trans	-54.8	-38.2	-179.9	-26.5	36	0	0	0	114	Q547 L548	P544-Q547 PolarHBondContact O-N 3.33Å; P544-L548 PolarHBondContact O-N 3.1Å
545	E	45.5	Very low	40.1	Very low	133 Å²	133	120.7 Å²	120.7	62%	0.621	58%	0.584	S	S	*	*	H	α-helix	trans	-66.6	-38.4	176.1	-54.4	85.1	174.3	0	0	111.4	L543 Q547 L548 A549	L543-E545 VanDerWaalsContact C-N 3.27Å; L543-E545 PolarHBondContact O-N 2.88Å; E545-Q547 VanDerWaalsContact C-N 3.35Å; E545-L548 PolarHBondContact O-N 3.36Å; E545-A549 WeakPolarHBondContact O-CB 3.31Å; E545-A549 PolarHBondContact O-N 2.84Å
546	T	47.7	Very low	40.2	Very low	63 Å²	63	124.6 Å²	124.6	39%	0.387	59%	0.593	S	S	.	*	H	α-helix	trans	-65.6	-38.8	174.7	-41.2	0	0	0	0	111.3	L543 L548 A549 I550	L543-T546 WeakPolarHBondContact O-CA 3.48Å; L543-T546 WeakPolarHBondContact O-CB 3.19Å; L543-T546 PolarHBondContact O-N 3.39Å; T546-L548 VanDerWaalsContact C-N 3.34Å; T546-A549 PolarHBondContact O-N 3.03Å; T546-I550 HydrophobicContact CG2-CD1 4.08Å; T546-I550 WeakPolarHBondContact O-CB 3.12Å; T546-I550 WeakPolarHBondContact O-CD1 3.26Å; T546-I550 VanDerWaalsContact O-CG1 3.24Å; T546-I550 WeakPolarHBondContact O-CG1 3.45Å; T546-I550 PolarHBondContact O-N 3.17Å
547	Q	42.8	Very low	40.3	Very low	98 Å²	98	119.4 Å²	119.4	46%	0.458	59%	0.589	S	S	.	*	H	α-helix	trans	-64.9	-38.4	174.7	-65.2	-178.7	30.6	0	0	111.6	S542 L543 P544 E545 R551	S542-Q547 PolarHBondContact O-NE2 3.41Å; S542-Q547 WeakPolarHBondContact OG-CG 3.33Å; L543-Q547 WeakPolarHBondContact O-CG 3.35Å; L543-Q547 PolarHBondContact O-N 3.1Å; P544-Q547 PolarHBondContact O-N 3.33Å; E545-Q547 VanDerWaalsContact C-N 3.35Å; Q547-R551 WeakPolarHBondContact O-CB 3.39Å; Q547-R551 PolarHBondContact O-N 3.49Å
548	L	46.5	Very low	40.3	Very low	101 Å²	101	120.8 Å²	120.8	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-70.1	-39.8	176.7	-164.8	71.3	0	0	0	112.3	P544 E545 T546 R551 K552	P544-L548 PolarHBondContact O-N 3.1Å; E545-L548 PolarHBondContact O-N 3.36Å; T546-L548 VanDerWaalsContact C-N 3.34Å; L548-R551 WeakPolarHBondContact O-CB 3.17Å; L548-R551 PolarHBondContact O-N 2.87Å; L548-K552 PolarHBondContact O-N 2.93Å
549	A	44.7	Very low	40.1	Very low	51 Å²	51	119.2 Å²	119.2	42%	0.421	59%	0.59	S	S	.	*	H	α-helix	trans	-61.7	-50.1	173.7	0	0	0	0	0	111.3	E545 T546 R551 K552 T553	E545-A549 WeakPolarHBondContact O-CB 3.31Å; E545-A549 PolarHBondContact O-N 2.84Å; T546-A549 PolarHBondContact O-N 3.03Å; A549-R551 VanDerWaalsContact C-N 3.27Å; A549-R551 PolarHBondContact O-N 3.34Å; A549-K552 PolarHBondContact O-N 3.21Å; A549-K552 VanDerWaalsContact O-N 3.09Å; A549-T553 PolarHBondContact O-N 3.35Å; A549-T553 PolarHBondContact O-OG1 2.98Å; A549-T553 VanDerWaalsContact O-OG1 3.07Å
550	I	46.8	Very low	39.8	Very low	74 Å²	74	117.9 Å²	117.9	38%	0.379	60%	0.597	S	S	.	*	H	α-helix	trans	-57.1	-41.4	175	-69	165.8	0	0	0	110.8	T546 T553 F554	T546-I550 HydrophobicContact CG2-CD1 4.08Å; T546-I550 WeakPolarHBondContact O-CB 3.12Å; T546-I550 WeakPolarHBondContact O-CD1 3.26Å; T546-I550 VanDerWaalsContact O-CG1 3.24Å; T546-I550 WeakPolarHBondContact O-CG1 3.45Å; T546-I550 PolarHBondContact O-N 3.17Å; I550-T553 PolarHBondContact O-N 2.95Å; I550-F554 HydrophobicContact CG2-CD2 4.25Å; I550-F554 WeakPolarHBondContact O-CB 3.28Å; I550-F554 PolarHBondContact O-N 3.39Å
551	R	43.9	Very low	39.4	Very low	180 Å²	180	117.1 Å²	117.1	68%	0.679	60%	0.6	S	S	*	*	H	α-helix	trans	-61.4	-43.1	175.3	-123.3	172.9	170	170.2	-6.3	112.7	Q547 L548 A549 N555	Q547-R551 WeakPolarHBondContact O-CB 3.39Å; Q547-R551 PolarHBondContact O-N 3.49Å; L548-R551 WeakPolarHBondContact O-CB 3.17Å; L548-R551 PolarHBondContact O-N 2.87Å; A549-R551 VanDerWaalsContact C-N 3.27Å; A549-R551 PolarHBondContact O-N 3.34Å; R551-N555 VanDerWaalsContact O-CB 3.23Å; R551-N555 WeakPolarHBondContact O-CB 3.17Å; R551-N555 PolarHBondContact O-N 3.48Å
552	K	44.2	Very low	39	Very low	148 Å²	148	114.9 Å²	114.9	64%	0.643	60%	0.603	S	S	*	*	H	α-helix	trans	-67.7	-45.3	177.7	-75.7	-175.9	174.7	-174.4	0	111.8	L548 A549 F556	L548-K552 PolarHBondContact O-N 2.93Å; A549-K552 PolarHBondContact O-N 3.21Å; A549-K552 VanDerWaalsContact O-N 3.09Å; K552-F556 WeakPolarHBondContact O-CB 3.36Å; K552-F556 PolarHBondContact O-N 2.75Å; K552-F556 VanDerWaalsContact O-N 3.08Å
553	T	40.8	Very low	38.4	Very low	102 Å²	102	118.6 Å²	118.6	63%	0.626	63%	0.629	S	S	*	*	H	α-helix	trans	-67.1	-40	-179.1	-49.1	0	0	0	0	112.7	A549 I550	A549-T553 PolarHBondContact O-N 3.35Å; A549-T553 PolarHBondContact O-OG1 2.98Å; A549-T553 VanDerWaalsContact O-OG1 3.07Å; I550-T553 PolarHBondContact O-N 2.95Å
554	F	35.9	Very low	37.5	Very low	143 Å²	143	120.2 Å²	120.2	63%	0.627	64%	0.643	S	S	*	*	H	α-helix	trans	-75.2	-35.4	176.5	-95.6	-92.6	0	0	0	113.6	I550 F556 S557 L558	I550-F554 HydrophobicContact CG2-CD2 4.25Å; I550-F554 WeakPolarHBondContact O-CB 3.28Å; I550-F554 PolarHBondContact O-N 3.39Å; F554-F556 VanDerWaalsContact C-N 3.35Å; F554-S557 PolarHBondContact O-N 2.9Å; F554-L558 PolarHBondContact O-N 2.98Å
555	N	36.5	Very low	36.4	Very low	106 Å²	106	121.7 Å²	121.7	57%	0.567	65%	0.65	S	S	*	*	H	α-helix	trans	-67.3	-35.5	175.9	-75.7	-2.2	0	0	0	112	R551 S557 L558 S559	R551-N555 VanDerWaalsContact O-CB 3.23Å; R551-N555 WeakPolarHBondContact O-CB 3.17Å; R551-N555 PolarHBondContact O-N 3.48Å; N555-S557 PolarHBondContact O-N 3.45Å; N555-L558 PolarHBondContact O-N 3.19Å; N555-S559 PolarHBondContact O-OG 3.28Å
556	F	31.6	Very low	35.5	Very low	185 Å²	185	121.9 Å²	121.9	81%	0.811	66%	0.66	S	S	*	*	H	α-helix	trans	-66.6	-21.9	177.7	-160	-97.8	0	0	0	113.5	K552 F554	K552-F556 WeakPolarHBondContact O-CB 3.36Å; K552-F556 PolarHBondContact O-N 2.75Å; K552-F556 VanDerWaalsContact O-N 3.08Å; F554-F556 VanDerWaalsContact C-N 3.35Å
557	S	31.9	Very low	34.4	Very low	101 Å²	101	126.3 Å²	126.3	71%	0.706	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-1	179.4	-164.7	0	0	0	0	114.2	F554 N555	F554-S557 PolarHBondContact O-N 2.9Å; N555-S557 PolarHBondContact O-N 3.45Å
558	L	31.2	Very low	33.5	Very low	142 Å²	142	129.6 Å²	129.6	74%	0.743	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-0.7	-178.5	-79	165.9	0	0	0	113.7	F554 N555	F554-L558 PolarHBondContact O-N 2.98Å; N555-L558 PolarHBondContact O-N 3.19Å
559	S	29.6	Very low	32.5	Very low	78 Å²	78	133 Å²	133	55%	0.545	71%	0.711	S	S	.	*	S	Bend	trans	-113.4	64.6	176.2	64.5	0	0	0	0	112.3	N555	N555-S559 PolarHBondContact O-OG 3.28Å
560	N	29.1	Very low	31.7	Very low	163 Å²	163	136.8 Å²	136.8	87%	0.872	72%	0.724	S	S	*	*			trans	-167.8	92	157.5	-97.6	-20.9	0	0	0	109.9
561	K	26.4	Very low	30.9	Very low	202 Å²	202	139.7 Å²	139.7	88%	0.878	74%	0.74	S	S	*	*			trans	-147.2	159.1	169.9	-97.1	-167.6	176.7	-176.4	0	109.9
562	S	28.4	Very low	30.1	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	74%	0.742	S	S	*	*			trans	81.5	131.4	-174.5	-48.2	0	0	0	0	112.3
563	S	29	Very low	29.4	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	75%	0.747	S	S	*	*			cis	-152.6	149.5	17.4	-50.4	0	0	0	0	114.6
564	T	28.5	Very low	28.9	Very low	141 Å²	141	138.2 Å²	138.2	87%	0.865	75%	0.748	S	S	*	*			trans	78	137.1	139.9	-53	0	0	0	0	122
565	V	23.2	Very low	28.6	Very low	122 Å²	122	137.8 Å²	137.8	74%	0.739	75%	0.751	S	S	*	*			trans	-97.7	153.5	178.3	167.3	0	0	0	0	110.2
566	V	26.4	Very low	28.1	Very low	138 Å²	138	140 Å²	140	84%	0.836	76%	0.762	S	S	*	*			trans	-171.8	137.6	136.3	143.8	0	0	0	0	110.3
567	L	24.2	Very low	27.9	Very low	155 Å²	155	135.3 Å²	135.3	81%	0.812	75%	0.753	S	S	*	*			trans	-82.9	150.8	170	-77.3	134.1	0	0	0	110.5
568	L	25.5	Very low	27.7	Very low	167 Å²	167	137 Å²	137	87%	0.874	75%	0.753	S	S	*	*			trans	-167.8	154.9	130.7	-104.1	163.4	0	0	0	113.5
569	K	25.3	Very low	27.7	Very low	174 Å²	174	138.1 Å²	138.1	76%	0.757	75%	0.754	S	S	*	*			trans	-68.9	161.8	-168.9	-68.3	170.7	168.5	-179.9	0	116.2
570	N	27.6	Very low	27.7	Very low	129 Å²	129	138.8 Å²	138.8	69%	0.69	76%	0.759	S	S	*	*			trans	65.9	157.7	141.3	-77.3	37.6	0	0	0	117.9
571	D	30.5	Very low	27.7	Very low	135 Å²	135	141 Å²	141	72%	0.722	76%	0.755	S	S	*	*			cis	-145	-178.3	6.7	-115.1	-38.3	0	0	0	112.2
572	T	27	Very low	27.8	Very low	115 Å²	115	137.4 Å²	137.4	71%	0.706	75%	0.745	S	S	*	*			trans	-81.8	172.2	-168.3	56.8	0	0	0	0	117.8
573	Q	28.8	Very low	27.9	Very low	161 Å²	161	137.4 Å²	137.4	75%	0.752	74%	0.736	S	S	*	*			trans	108.8	142.8	135.2	-98.1	-179.5	19.1	0	0	121.4
574	N	30.9	Very low	27.9	Very low	123 Å²	123	138.2 Å²	138.2	66%	0.658	73%	0.732	S	S	*	*			trans	82	140.5	155.8	-57.7	-25.6	0	0	0	119
575	I	28.9	Very low	28.2	Very low	135 Å²	135	138.9 Å²	138.9	69%	0.692	73%	0.73	S	S	*	*			cis	-159.8	158.7	-12.2	-118.5	162.6	0	0	0	110
576	L	26.5	Very low	28.5	Very low	151 Å²	151	140.3 Å²	140.3	79%	0.791	73%	0.733	S	S	*	*			trans	-12.4	159.5	157.2	-59.2	153.4	0	0	0	118.1
577	S	27.1	Very low	28.8	Very low	88 Å²	88	139.8 Å²	139.8	62%	0.615	73%	0.733	S	S	*	*			cis	176.2	159.8	-6.1	53.2	0	0	0	0	106.5
578	L	28.5	Very low	28.9	Very low	136 Å²	136	138.7 Å²	138.7	71%	0.712	73%	0.732	S	S	*	*				161.7	139.6	88.8	-106.4	153.3	0	0	0	110.2
579	H	30.1	Very low	29.2	Very low	165 Å²	165	134.3 Å²	134.3	76%	0.764	73%	0.727	S	S	*	*			trans	46	125.2	140.7	-76.7	-9.8	0	0	0	122.9
580	S	29.4	Very low	29.1	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	73%	0.731	S	S	*	*				111.9	151.4	70.4	-166.4	0	0	0	0	109.5
581	R	28.9	Very low	29	Very low	210 Å²	210	136.1 Å²	136.1	79%	0.792	74%	0.735	S	S	*	*			cis	-165.8	151.5	4.6	-135.1	175.9	-166	163.7	3.4	110.2
582	N	30.1	Very low	28.7	Very low	126 Å²	126	139.1 Å²	139.1	67%	0.674	74%	0.741	S	S	*	*			trans	61.3	160.5	147.3	-71.5	11	0	0	0	119.2
583	N	29.8	Very low	28.5	Very low	116 Å²	116	139.5 Å²	139.5	62%	0.62	75%	0.747	S	S	*	*			cis	-160.9	154.3	-0.5	-119.3	3.7	0	0	0	112.2
584	N	29.7	Very low	28.5	Very low	122 Å²	122	141.3 Å²	141.3	65%	0.652	76%	0.756	S	S	*	*			trans	72.6	138.9	139	-64.2	-5.5	0	0	0	125.1
585	N	33.2	Very low	28.2	Very low	155 Å²	155	140.9 Å²	140.9	83%	0.829	76%	0.762	S	S	*	*			trans	98.7	106.2	145.1	-64.9	-12.4	0	0	0	121.9
586	L	29.9	Very low	28.1	Very low	153 Å²	153	140.4 Å²	140.4	80%	0.801	77%	0.771	S	S	*	*			trans	-62.6	160.2	150.3	-112.3	87.5	0	0	0	111.1
587	P	33	Very low	28	Very low	127 Å²	127	139.1 Å²	139.1	83%	0.825	77%	0.77	S	S	*	*				-152.2	178.2	83.5	39.8	-19.3	0	0	0	118.1
588	V	27.2	Very low	27.9	Very low	132 Å²	132	145.3 Å²	145.3	80%	0.8	79%	0.786	S	S	*	*			trans	-73.5	142.8	-177.9	174.3	0	0	0	0	113.3
589	G	30.7	Very low	27.8	Very low	75 Å²	75	148.5 Å²	148.5	77%	0.773	79%	0.794	S	S	*	*			trans	-152.5	123.5	168.5	0	0	0	0	0	113.5
590	K	24.7	Very low	27.5	Very low	191 Å²	191	145.7 Å²	145.7	83%	0.83	79%	0.793	S	S	*	*			trans	-84.5	154.5	172.7	-61.1	167.7	176.8	171.6	0	110
591	I	25.2	Very low	27.2	Very low	150 Å²	150	147.3 Å²	147.3	77%	0.769	80%	0.801	S	S	*	*				159	128	122.1	-85.2	161.5	0	0	0	115.1
592	K	24.3	Very low	27	Very low	197 Å²	197	143 Å²	143	86%	0.857	80%	0.803	S	S	*	*			trans	60.6	136.6	151.5	-74.5	172.1	-175.1	178.3	0	123.5
593	C	22.4	Very low	26.8	Very low	123 Å²	123	142 Å²	142	83%	0.831	81%	0.806	S	S	*	*			trans	-65	156.7	170.9	-37.1	0	0	0	0	114
594	Q	28.2	Very low	26.5	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	82%	0.817	S	S	*	*			trans	-135.5	153.3	133.4	-99.7	-177.1	3.3	0	0	110.4
595	S	24.3	Very low	26.3	Very low	114 Å²	114	144.1 Å²	144.1	80%	0.797	83%	0.826	S	S	*	*			trans	-96.3	142.9	-167	51	0	0	0	0	113.3
596	S	27.1	Very low	25.9	Very low	126 Å²	126	140.9 Å²	140.9	88%	0.881	82%	0.816	S	S	*	*			trans	-141.8	135.5	146.1	58.9	0	0	0	0	110.8
597	T	23.7	Very low	25.7	Very low	124 Å²	124	140.4 Å²	140.4	76%	0.761	82%	0.822	S	S	*	*			trans	-89.4	135.8	-170.5	45	0	0	0	0	112.3
598	F	25.1	Very low	25.3	Very low	217 Å²	217	139 Å²	139	95%	0.952	82%	0.815	S	S	*	*			trans	-135.4	145.2	146.1	-107.3	-85.5	0	0	0	111
599	K	26.2	Very low	25.4	Very low	203 Å²	203	138.2 Å²	138.2	88%	0.883	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-85.3	140.1	-160.7	-64.9	172.1	178.3	174.9	0	112.6
600	S	24	Very low	25.3	Very low	106 Å²	106	141.4 Å²	141.4	74%	0.741	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-83.4	159	168.8	51.8	0	0	0	0	112.5
601	P	24.3	Very low	25.5	Very low	127 Å²	127	136.2 Å²	136.2	83%	0.825	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-101.7	118	143.7	17.6	-0.4	0	0	0	109.5
602	S	24.8	Very low	26.1	Very low	119 Å²	119	132.7 Å²	132.7	83%	0.832	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-71.4	131.6	168.1	46.8	0	0	0	0	110.9
603	S	25.4	Very low	26.6	Very low	105 Å²	105	125.3 Å²	125.3	73%	0.734	76%	0.763	S	S	*	*			trans	-140	131.8	157.9	60.6	0	0	0	0	110.4
604	S	23.5	Very low	27.1	Very low	121 Å²	121	122.1 Å²	122.1	85%	0.846	74%	0.743	S	S	*	*			trans	-84.8	126.7	-178.1	38.9	0	0	0	0	110.6
605	L	26	Very low	27.5	Very low	163 Å²	163	114.1 Å²	114.1	85%	0.853	71%	0.71	S	S	*	*			trans	-108.5	117.5	161.9	-84.8	91.7	0	0	0	110.3
606	S	23.7	Very low	28.2	Very low	87 Å²	87	112.8 Å²	112.8	61%	0.608	69%	0.694	S	S	*	*			trans	-66.9	146.8	173	51.5	0	0	0	0	111.9	S608	S606-S608 VanDerWaalsContact C-N 3.32Å; S606-S608 PolarHBondContact O-N 3.2Å; S606-S608 PolarHBondContact OG-OG 3.31Å
607	P	26	Very low	29	Very low	143 Å²	143	109 Å²	109	93%	0.929	66%	0.664	S	S	*	*	S	Bend	trans	-75.4	82.9	174.1	32	-34.3	0	0	0	110.8
608	S	25.2	Very low	29.5	Very low	97 Å²	97	106.3 Å²	106.3	68%	0.678	65%	0.645	S	S	*	*			trans	-140.8	66.5	176	52.3	0	0	0	0	111.9	S606	S606-S608 VanDerWaalsContact C-N 3.32Å; S606-S608 PolarHBondContact O-N 3.2Å; S606-S608 PolarHBondContact OG-OG 3.31Å
609	S	29.9	Very low	30.4	Very low	115 Å²	115	101 Å²	101	80%	0.804	62%	0.623	S	S	*	*			trans	-135.2	138.5	168	61.4	0	0	0	0	111.6	C611	S609-C611 PolarHBondContact O-N 3.18Å; S609-C611 VanDerWaalsContact O-N 3.15Å
610	T	26.7	Very low	31.2	Very low	142 Å²	142	96 Å²	96	87%	0.871	60%	0.604	S	S	*	*			trans	-77.2	95.8	-171.8	47.5	0	0	0	0	111.3	T612	T610-T612 PolarHBondContact O-N 3.44Å
611	C	28.7	Very low	32.1	Very low	83 Å²	83	93 Å²	93	56%	0.561	58%	0.579	S	S	*	*			trans	-65.3	124.4	165.3	-104.6	0	0	0	0	110.1	S609 A615 N616	S609-C611 PolarHBondContact O-N 3.18Å; S609-C611 VanDerWaalsContact O-N 3.15Å; C611-A615 HydrophobicContact CB-CB 4.25Å; C611-N616 WeakPolarHBondContact CB-OD1 3.06Å
612	T	37.8	Very low	32.9	Very low	76 Å²	76	93 Å²	93	47%	0.466	56%	0.564	S	S	.	*			trans	-69.1	159.5	173.2	50.7	0	0	0	0	110.6	T610 S614 A615 N616	T610-T612 PolarHBondContact O-N 3.44Å; T612-S614 PolarHBondContact O-N 3Å; T612-A615 WeakPolarHBondContact O-CB 3.26Å; T612-A615 PolarHBondContact O-N 3.23Å; T612-N616 PolarHBondContact O-N 3.5Å; T612-N616 VanDerWaalsContact O-N 3.16Å
613	V	34.9	Very low	33.9	Very low	41 Å²	41	90.6 Å²	90.6	25%	0.248	54%	0.539	C	S	.	.	H	α-helix	trans	-50.7	-42.5	176.2	-178	0	0	0	0	110.9	S160 E255 A615 N616 L617	S160-V613 VanDerWaalsContact OG-CG2 3.29Å; S160-V613 WeakPolarHBondContact OG-CG2 3.41Å; E255-V613 VanDerWaalsContact OE2-CG1 3.28Å; E255-V613 WeakPolarHBondContact OE2-CG1 3.34Å; V613-A615 VanDerWaalsContact C-N 3.3Å; V613-A615 PolarHBondContact O-N 3.18Å; V613-N616 PolarHBondContact O-N 2.82Å; V613-L617 PolarHBondContact O-N 2.94Å
614	S	34.6	Very low	34.7	Very low	57 Å²	57	90.3 Å²	90.3	40%	0.399	53%	0.526	S	S	.	.	H	α-helix	trans	-58.1	-35.4	175.5	-36.2	0	0	0	0	114.1	T612 L617 L618	T612-S614 PolarHBondContact O-N 3Å; S614-L617 WeakPolarHBondContact O-CB 3.43Å; S614-L618 WeakPolarHBondContact O-CB 3.32Å; S614-L618 WeakPolarHBondContact O-CD1 3.47Å; S614-L618 WeakPolarHBondContact O-CG 3.25Å; S614-L618 PolarHBondContact O-N 3.27Å
615	A	35.2	Very low	35.5	Very low	30 Å²	30	90 Å²	90	25%	0.248	51%	0.514	C	S	.	.	H	α-helix	trans	-77.1	-33.9	178.6	0	0	0	0	0	112.1	C611 T612 V613 L618 Q619	C611-A615 HydrophobicContact CB-CB 4.25Å; T612-A615 WeakPolarHBondContact O-CB 3.26Å; T612-A615 PolarHBondContact O-N 3.23Å; V613-A615 VanDerWaalsContact C-N 3.3Å; V613-A615 PolarHBondContact O-N 3.18Å; A615-L618 PolarHBondContact O-N 2.99Å; A615-Q619 PolarHBondContact O-N 3.42Å
616	N	40.5	Very low	36.1	Very low	86 Å²	86	87.8 Å²	87.8	46%	0.46	50%	0.498	S	S	.	.	H	α-helix	trans	-69.3	-40	173	-62.8	-33.1	0	0	0	111.2	C611 T612 V613 Q619 M620	C611-N616 WeakPolarHBondContact CB-OD1 3.06Å; T612-N616 PolarHBondContact O-N 3.5Å; T612-N616 VanDerWaalsContact O-N 3.16Å; V613-N616 PolarHBondContact O-N 2.82Å; N616-Q619 PolarHBondContact O-N 3.06Å; N616-M620 WeakPolarHBondContact O-CB 3.37Å; N616-M620 PolarHBondContact O-N 3.45Å
617	L	42.2	Very low	37	Very low	47 Å²	47	90.4 Å²	90.4	25%	0.246	50%	0.5	C	S	.	.	H	α-helix	trans	-54.8	-49	168.4	-102.1	164.7	0	0	0	111.9	E255 V613 S614 M620 L621	E255-L617 HydrophobicContact CG-CD2 4.42Å; E255-L617 HydrophobicContact CG-CG 4.4Å; E255-L617 VanDerWaalsContact OE2-CD1 3.26Å; E255-L617 WeakPolarHBondContact OE2-CD1 3.2Å; E255-L617 WeakPolarHBondContact OE2-CG 3.38Å; V613-L617 PolarHBondContact O-N 2.94Å; S614-L617 WeakPolarHBondContact O-CB 3.43Å; L617-M620 PolarHBondContact O-N 3.45Å; L617-L621 HydrophobicContact CD2-CD1 4.49Å; L617-L621 WeakPolarHBondContact O-CB 3.47Å; L617-L621 WeakPolarHBondContact O-CG 3.47Å; L617-L621 PolarHBondContact O-N 2.95Å
618	L	35.8	Very low	37.5	Very low	67 Å²	67	89.8 Å²	89.8	35%	0.351	49%	0.489	S	S	.	.	H	α-helix	trans	-61.3	-43.2	177.9	-84	161.9	0	0	0	112.6	S614 A615 Y622 F671 A675	S614-L618 WeakPolarHBondContact O-CB 3.32Å; S614-L618 WeakPolarHBondContact O-CD1 3.47Å; S614-L618 WeakPolarHBondContact O-CG 3.25Å; S614-L618 PolarHBondContact O-N 3.27Å; A615-L618 PolarHBondContact O-N 2.99Å; L618-Y622 VanDerWaalsContact O-CB 3.26Å; L618-Y622 WeakPolarHBondContact O-CB 3.48Å; L618-Y622 PolarHBondContact O-N 3.4Å; L618-F671 HydrophobicContact CD2-CD1 3.77Å; L618-F671 HydrophobicContact CD2-CE1 3.71Å; L618-A675 HydrophobicContact CD1-CB 4.37Å
619	Q	42.8	Very low	37.8	Very low	105 Å²	105	92 Å²	92	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-64.9	-43.4	175.4	-169.3	69.5	37.1	0	0	111	A615 N616 Y622 E623	A615-Q619 PolarHBondContact O-N 3.42Å; N616-Q619 PolarHBondContact O-N 3.06Å; Q619-Y622 PolarHBondContact O-N 3.41Å; Q619-E623 HydrophobicContact CG-CG 4.44Å; Q619-E623 PolarHBondContact NE2-OE1 3.13Å; Q619-E623 WeakPolarHBondContact O-CG 3.47Å; Q619-E623 PolarHBondContact O-N 3.36Å
620	M	44.3	Very low	37.8	Very low	99 Å²	99	95.1 Å²	95.1	49%	0.488	49%	0.493	S	S	.	.	H	α-helix	trans	-64.9	-45.6	-179	-163.8	-177.2	80.4	0	0	111.8	N616 L617 Y622 E623 E624	N616-M620 WeakPolarHBondContact O-CB 3.37Å; N616-M620 PolarHBondContact O-N 3.45Å; L617-M620 PolarHBondContact O-N 3.45Å; M620-Y622 VanDerWaalsContact C-N 3.32Å; M620-Y622 PolarHBondContact O-N 3.45Å; M620-E623 PolarHBondContact O-N 3.2Å; M620-E624 PolarHBondContact O-N 3.07Å
621	L	41.3	Very low	37.9	Very low	42 Å²	42	93.4 Å²	93.4	22%	0.22	49%	0.486	C	S	.	.	H	α-helix	trans	-61.9	-38.3	174.1	-73.5	166.6	0	0	0	112	L617 L625	L617-L621 HydrophobicContact CD2-CD1 4.49Å; L617-L621 WeakPolarHBondContact O-CB 3.47Å; L617-L621 WeakPolarHBondContact O-CG 3.47Å; L617-L621 PolarHBondContact O-N 2.95Å; L621-L625 VanDerWaalsContact O-CB 3.31Å; L621-L625 WeakPolarHBondContact O-CB 3.49Å; L621-L625 WeakPolarHBondContact O-CD1 3.46Å; L621-L625 WeakPolarHBondContact O-CG 3.46Å; L621-L625 PolarHBondContact O-N 3.29Å
622	Y	42.3	Very low	37.8	Very low	129 Å²	129	96.4 Å²	96.4	51%	0.506	50%	0.497	S	S	.	.	H	α-helix	trans	-66.4	-44.2	175.1	175.6	-102.5	0	0	0	112.2	L618 Q619 M620 K626	L618-Y622 VanDerWaalsContact O-CB 3.26Å; L618-Y622 WeakPolarHBondContact O-CB 3.48Å; L618-Y622 PolarHBondContact O-N 3.4Å; Q619-Y622 PolarHBondContact O-N 3.41Å; M620-Y622 VanDerWaalsContact C-N 3.32Å; M620-Y622 PolarHBondContact O-N 3.45Å; Y622-K626 HydrophobicContact CE1-CD 3.88Å; Y622-K626 WeakPolarHBondContact O-CB 3.38Å; Y622-K626 PolarHBondContact O-N 2.97Å; Y622-K626 PolarHBondContact OH-NZ 3.31Å
623	E	46.2	Very low	37.3	Very low	68 Å²	68	103.4 Å²	103.4	32%	0.318	52%	0.516	S	S	.	.	H	α-helix	trans	-67.1	-40.3	176	-64.5	-58.7	156.7	0	0	111.8	Q619 M620 K626 H627	Q619-E623 HydrophobicContact CG-CG 4.44Å; Q619-E623 PolarHBondContact NE2-OE1 3.13Å; Q619-E623 WeakPolarHBondContact O-CG 3.47Å; Q619-E623 PolarHBondContact O-N 3.36Å; M620-E623 PolarHBondContact O-N 3.2Å; E623-K626 PolarHBondContact O-N 3.1Å; E623-H627 WeakPolarHBondContact O-CB 3.34Å; E623-H627 PolarHBondContact O-CD2 2.98Å; E623-H627 VanDerWaalsContact O-CD2 3.31Å; E623-H627 PolarHBondContact O-N 2.94Å
624	E	42.2	Very low	36.9	Very low	98 Å²	98	107.3 Å²	107.3	46%	0.458	54%	0.54	S	S	.	.	H	α-helix	trans	-61.5	-48.2	174.1	-82	-173.4	127.2	0	0	112.1	M620 K626 H627 N628	M620-E624 PolarHBondContact O-N 3.07Å; E624-K626 PolarHBondContact O-N 3.24Å; E624-H627 PolarHBondContact O-N 2.93Å; E624-N628 WeakPolarHBondContact O-CB 3.45Å; E624-N628 VanDerWaalsContact O-CG 3.29Å; E624-N628 PolarHBondContact O-N 3.24Å; E624-N628 PolarHBondContact O-ND2 3.27Å
625	L	39.7	Very low	36.5	Very low	114 Å²	114	113.1 Å²	113.1	60%	0.597	57%	0.565	S	S	*	*	H	α-helix	trans	-64.7	-28.7	177.6	-71.3	169.7	0	0	0	112.6	L621	L621-L625 VanDerWaalsContact O-CB 3.31Å; L621-L625 WeakPolarHBondContact O-CB 3.49Å; L621-L625 WeakPolarHBondContact O-CD1 3.46Å; L621-L625 WeakPolarHBondContact O-CG 3.46Å; L621-L625 PolarHBondContact O-N 3.29Å
626	K	38.3	Very low	36.1	Very low	117 Å²	117	116.5 Å²	116.5	51%	0.509	59%	0.588	S	S	.	*	H	α-helix	trans	-80.7	-32.2	177	-169.8	176.7	-177.1	179.6	0	112.6	Y622 E623 E624	Y622-K626 HydrophobicContact CE1-CD 3.88Å; Y622-K626 WeakPolarHBondContact O-CB 3.38Å; Y622-K626 PolarHBondContact O-N 2.97Å; Y622-K626 PolarHBondContact OH-NZ 3.31Å; E623-K626 PolarHBondContact O-N 3.1Å; E624-K626 PolarHBondContact O-N 3.24Å
627	H	41.7	Very low	35.4	Very low	142 Å²	142	122.3 Å²	122.3	66%	0.657	61%	0.608	S	S	*	*	H	α-helix	trans	-81.1	-31.4	176.2	-88.8	-78.6	0	0	0	113.7	E623 E624 N629	E623-H627 WeakPolarHBondContact O-CB 3.34Å; E623-H627 PolarHBondContact O-CD2 2.98Å; E623-H627 VanDerWaalsContact O-CD2 3.31Å; E623-H627 PolarHBondContact O-N 2.94Å; E624-H627 PolarHBondContact O-N 2.93Å; H627-N629 PolarHBondContact O-N 3.36Å; H627-N629 VanDerWaalsContact O-N 3.09Å
628	N	37.1	Very low	34.8	Very low	130 Å²	130	127.6 Å²	127.6	70%	0.695	64%	0.635	S	S	*	*	S	Bend	trans	-72.4	2.8	-179.2	-76.1	-20.9	0	0	0	115.1	E624 K630	E624-N628 WeakPolarHBondContact O-CB 3.45Å; E624-N628 VanDerWaalsContact O-CG 3.29Å; E624-N628 PolarHBondContact O-N 3.24Å; E624-N628 PolarHBondContact O-ND2 3.27Å; N628-K630 PolarHBondContact O-N 3.36Å; N628-K630 VanDerWaalsContact O-N 3.17Å
629	N	32.8	Very low	34.3	Very low	145 Å²	145	130.1 Å²	130.1	78%	0.775	65%	0.649	S	S	*	*	S	Bend	trans	-81.5	24.3	174.3	-108.4	-32.5	0	0	0	114	H627	H627-N629 PolarHBondContact O-N 3.36Å; H627-N629 VanDerWaalsContact O-N 3.09Å
630	K	29.7	Very low	33.8	Very low	180 Å²	180	131.8 Å²	131.8	78%	0.783	66%	0.66	S	S	*	*	S	Bend	trans	-136.5	113.9	175.4	-74.1	-172.8	177.4	178	0	113.2	N628	N628-K630 PolarHBondContact O-N 3.36Å; N628-K630 VanDerWaalsContact O-N 3.17Å
631	S	28.2	Very low	33	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	68%	0.675	S	S	*	*	S	Bend	trans	63.5	118	160	56.5	0	0	0	0	120
632	N	26.1	Very low	32.4	Very low	147 Å²	147	139 Å²	139	79%	0.786	70%	0.701	S	S	*	*			trans	57.1	99	139.4	-56.7	-10.1	0	0	0	118.6
633	Y	27.4	Very low	31.7	Very low	223 Å²	223	139.3 Å²	139.3	88%	0.875	71%	0.71	S	S	*	*			trans	-133.7	148	139.1	-111.3	-84.3	0	0	0	112
634	V	27	Very low	30.8	Very low	123 Å²	123	141.9 Å²	141.9	75%	0.745	73%	0.732	S	S	*	*			trans	-90.5	133.5	-156.2	170.6	0	0	0	0	112.5	S636	V634-S636 PolarHBondContact O-N 2.94Å
635	L	26	Very low	30.2	Very low	178 Å²	178	144 Å²	144	93%	0.932	75%	0.746	S	S	*	*			trans	-54.2	114.4	166	-79.5	154.1	0	0	0	111
636	S	26.8	Very low	29.6	Very low	102 Å²	102	145.2 Å²	145.2	71%	0.713	76%	0.759	S	S	*	*			trans	-136.3	102.9	163.7	58.1	0	0	0	0	112.3	V634	V634-S636 PolarHBondContact O-N 2.94Å
637	K	26.5	Very low	29	Very low	207 Å²	207	146.1 Å²	146.1	90%	0.9	77%	0.77	S	S	*	*			trans	44.5	90.7	148.9	-59.7	179.7	178.3	-179.6	0	117.8
638	I	27.7	Very low	28.2	Very low	158 Å²	158	144.3 Å²	144.3	81%	0.81	77%	0.772	S	S	*	*			trans	-112.4	128.2	142.6	-63.1	178.9	0	0	0	106.6
639	D	27.2	Very low	27.8	Very low	121 Å²	121	148.7 Å²	148.7	65%	0.647	78%	0.78	S	S	*	*			trans	-87.6	111.1	-170.6	-162.8	-4.3	0	0	0	110.9	K641	D639-K641 PolarHBondContact O-N 2.86Å; D639-K641 WeakPolarHBondContact OD1-CD 3.41Å; D639-K641 WeakPolarHBondContact OD1-CG 3.5Å
640	I	31.2	Very low	27.4	Very low	140 Å²	140	149.7 Å²	149.7	72%	0.718	78%	0.777	S	S	*	*			trans	-85.7	35.5	-169.8	-51.1	173	0	0	0	110.9	I643	I640-I643 HydrophobicContact CG2-CD1 4.47Å
641	K	27.4	Very low	27.3	Very low	184 Å²	184	146.9 Å²	146.9	80%	0.8	77%	0.771	S	S	*	*			trans	-98.6	9	-171.3	-80.7	-176	176.2	-179.5	0	116	D639	D639-K641 PolarHBondContact O-N 2.86Å; D639-K641 WeakPolarHBondContact OD1-CD 3.41Å; D639-K641 WeakPolarHBondContact OD1-CG 3.5Å
642	S	29.4	Very low	27.2	Very low	108 Å²	108	148.2 Å²	148.2	76%	0.755	77%	0.77	S	S	*	*			trans	-114.4	21.3	-175	58.5	0	0	0	0	115.4	P644	S642-P644 WeakPolarHBondContact O-CD 3.23Å
643	I	28.1	Very low	27.2	Very low	135 Å²	135	149.6 Å²	149.6	69%	0.692	77%	0.769	S	S	*	*			trans	-110.6	104.3	176.8	-54.3	177.9	0	0	0	109.9	I640	I640-I643 HydrophobicContact CG2-CD1 4.47Å
644	P	26.9	Very low	27.1	Very low	122 Å²	122	146.7 Å²	146.7	79%	0.792	77%	0.768	S	S	*	*			trans	-72	133.7	177.8	-18.9	33.4	0	0	0	113.1	S642	S642-P644 WeakPolarHBondContact O-CD 3.23Å
645	N	28	Very low	27	Very low	142 Å²	142	148 Å²	148	76%	0.759	77%	0.77	S	S	*	*			trans	-47.5	144.7	-175.7	-62.3	-49.9	0	0	0	117.7
646	T	28.2	Very low	26.9	Very low	141 Å²	141	148.1 Å²	148.1	87%	0.865	77%	0.766	S	S	*	*			trans	-135.3	86.1	134.1	53.4	0	0	0	0	112.4
647	N	25.9	Very low	26.9	Very low	136 Å²	136	148.2 Å²	148.2	73%	0.727	76%	0.764	S	S	*	*			trans	38	129.2	138.2	-61	-15.7	0	0	0	123.7
648	C	25.3	Very low	26.8	Very low	104 Å²	104	147.3 Å²	147.3	70%	0.703	76%	0.76	S	S	*	*			trans	51.5	141.4	139.4	-63.9	0	0	0	0	120.4
649	Y	27.6	Very low	26.7	Very low	221 Å²	221	147.4 Å²	147.4	87%	0.867	76%	0.761	S	S	*	*			cis	-130.9	139.3	27.2	-79.3	-113.7	0	0	0	110.3
650	K	25.6	Very low	26.7	Very low	166 Å²	166	149.1 Å²	149.1	72%	0.722	77%	0.77	S	S	*	*				65.9	104.8	69.4	-88	-160.6	172.9	-170	0	117.4
651	D	27.2	Very low	26.5	Very low	122 Å²	122	148.3 Å²	148.3	65%	0.652	77%	0.766	S	S	*	*			trans	99.8	106.6	134.3	-58.6	-16.6	0	0	0	122
652	N	26.2	Very low	26.4	Very low	132 Å²	132	147.1 Å²	147.1	71%	0.706	77%	0.768	S	S	*	*			trans	102.3	106.9	137.1	-72.9	-48.4	0	0	0	123
653	K	26.2	Very low	26.5	Very low	177 Å²	177	148.1 Å²	148.1	77%	0.77	77%	0.765	S	S	*	*			trans	69.6	104.8	132.4	-65.9	-179.5	179.2	178.7	0	120.4
654	L	25.3	Very low	26.7	Very low	162 Å²	162	150.2 Å²	150.2	85%	0.848	77%	0.766	S	S	*	*				169.6	161.6	103.6	-90.6	143.7	0	0	0	111.7
655	L	23.5	Very low	26.9	Very low	151 Å²	151	149.9 Å²	149.9	79%	0.791	76%	0.757	S	S	*	*			trans	-43	132.1	-170.7	-67.5	69.3	0	0	0	117.4
656	E	24.6	Very low	27.1	Very low	180 Å²	180	152 Å²	152	84%	0.841	75%	0.754	S	S	*	*				175.2	156	102.3	-92.8	-146.5	141	0	0	111.9
657	P	26.7	Very low	27.3	Very low	104 Å²	104	149.4 Å²	149.4	68%	0.675	74%	0.738	S	S	*	*			trans	-87.9	149	174.9	35.4	-32.4	0	0	0	112.2
658	K	24.3	Very low	27.6	Very low	187 Å²	187	148 Å²	148	81%	0.813	73%	0.73	S	S	*	*			trans	83.6	115.7	-177.6	-49.2	154.9	-178.7	172.3	0	114.1
659	L	26.8	Very low	27.9	Very low	161 Å²	161	148.9 Å²	148.9	84%	0.843	73%	0.727	S	S	*	*			trans	-147	73.9	130.6	-106.3	155.6	0	0	0	107.1	D661	L659-D661 VanDerWaalsContact C-N 3.35Å; L659-D661 HydrophobicContact CD2-CB 4.09Å; L659-D661 PolarHBondContact O-N 3.26Å
660	L	27.5	Very low	28.1	Very low	157 Å²	157	146.9 Å²	146.9	82%	0.822	72%	0.718	S	S	*	*			trans	-63.7	105.1	147.7	-74.9	82.8	0	0	0	105.2
661	D	26.8	Very low	28.5	Very low	122 Å²	122	143.5 Å²	143.5	65%	0.652	70%	0.704	S	S	*	*			trans	-166.6	171.1	159.7	-114	-37.4	0	0	0	112.2	L659	L659-D661 VanDerWaalsContact C-N 3.35Å; L659-D661 HydrophobicContact CD2-CB 4.09Å; L659-D661 PolarHBondContact O-N 3.26Å
662	L	25.1	Very low	28.7	Very low	160 Å²	160	141 Å²	141	84%	0.838	70%	0.696	S	S	*	*	S	Bend	trans	78.2	44	174.9	-51.6	172.4	0	0	0	117.5
663	N	31.1	Very low	28.9	Very low	128 Å²	128	137.3 Å²	137.3	68%	0.684	68%	0.684	S	S	*	*	S	Bend	trans	-157.9	-10.7	146.3	-108	-25.8	0	0	0	116	T667	N663-T667 PolarHBondContact O-OG1 3.37Å
664	Y	31.4	Very low	29.3	Very low	180 Å²	180	130.9 Å²	130.9	71%	0.706	66%	0.658	S	S	*	*	H	α-helix	trans	-70.4	-47.2	-177.3	-126.9	-105.4	0	0	0	113	R666 T667 L668	Y664-R666 PolarHBondContact O-N 2.96Å; Y664-T667 WeakPolarHBondContact O-CB 3.4Å; Y664-T667 PolarHBondContact O-N 2.98Å; Y664-L668 PolarHBondContact O-N 3.07Å
665	D	32.8	Very low	29.6	Very low	114 Å²	114	125.6 Å²	125.6	61%	0.61	64%	0.637	S	S	*	*	H	α-helix	trans	-64.7	-40.8	-173.5	-98.1	-17.9	0	0	0	114.6	T667 L668 L669	D665-T667 PolarHBondContact O-N 3.45Å; D665-L668 PolarHBondContact O-N 3.2Å; D665-L669 WeakPolarHBondContact O-CD1 3.47Å; D665-L669 PolarHBondContact O-N 3.28Å
666	R	30.5	Very low	30	Very low	188 Å²	188	123.5 Å²	123.5	71%	0.709	62%	0.623	S	S	*	*	H	α-helix	trans	-68.1	-27	178.1	-82.2	-174	172.7	179.3	-0	112.7	Y664 R670	Y664-R666 PolarHBondContact O-N 2.96Å; R666-R670 WeakPolarHBondContact O-CB 3.47Å; R666-R670 WeakPolarHBondContact O-CD 3.45Å; R666-R670 VanDerWaalsContact O-CG 3.23Å; R666-R670 WeakPolarHBondContact O-CG 3.44Å; R666-R670 PolarHBondContact O-N 3.29Å
667	T	33.1	Very low	30.4	Very low	85 Å²	85	123.3 Å²	123.3	52%	0.521	62%	0.615	S	S	.	*	H	α-helix	trans	-75.3	-45.3	176.7	-52.4	0	0	0	0	109.6	N663 Y664 D665 R670 F671	N663-T667 PolarHBondContact O-OG1 3.37Å; Y664-T667 WeakPolarHBondContact O-CB 3.4Å; Y664-T667 PolarHBondContact O-N 2.98Å; D665-T667 PolarHBondContact O-N 3.45Å; T667-R670 PolarHBondContact O-N 2.89Å; T667-F671 PolarHBondContact O-N 3.22Å
668	L	31.5	Very low	30.8	Very low	107 Å²	107	125.9 Å²	125.9	56%	0.56	61%	0.611	S	S	*	*	H	α-helix	trans	-62.8	-51.1	177.6	-148	80.7	0	0	0	112.4	Y664 D665 R670 F671 S672	Y664-L668 PolarHBondContact O-N 3.07Å; D665-L668 PolarHBondContact O-N 3.2Å; L668-R670 VanDerWaalsContact C-N 3.27Å; L668-R670 PolarHBondContact O-N 3.16Å; L668-F671 WeakPolarHBondContact O-CB 3.48Å; L668-F671 PolarHBondContact O-N 2.99Å; L668-F671 VanDerWaalsContact O-N 3.13Å; L668-S672 PolarHBondContact O-N 2.99Å; L668-S672 PolarHBondContact O-OG 3.49Å; L668-S672 VanDerWaalsContact O-OG 3.1Å
669	L	31.4	Very low	31	Very low	123 Å²	123	119.9 Å²	119.9	64%	0.644	59%	0.593	S	S	*	*	H	α-helix	trans	-61.8	-32.4	179	-96.8	112	0	0	0	113.3	D665 A673	D665-L669 WeakPolarHBondContact O-CD1 3.47Å; D665-L669 PolarHBondContact O-N 3.28Å; L669-A673 PolarHBondContact O-N 2.91Å
670	R	33.1	Very low	31.1	Very low	179 Å²	179	118.7 Å²	118.7	68%	0.675	60%	0.597	S	S	*	*	H	α-helix	trans	-72	-42.5	173.8	-75.4	175.5	174.6	-179.5	-3.6	111.3	R666 T667 L668 S672 A673 L674	R666-R670 WeakPolarHBondContact O-CB 3.47Å; R666-R670 WeakPolarHBondContact O-CD 3.45Å; R666-R670 VanDerWaalsContact O-CG 3.23Å; R666-R670 WeakPolarHBondContact O-CG 3.44Å; R666-R670 PolarHBondContact O-N 3.29Å; T667-R670 PolarHBondContact O-N 2.89Å; L668-R670 VanDerWaalsContact C-N 3.27Å; L668-R670 PolarHBondContact O-N 3.16Å; R670-S672 VanDerWaalsContact C-N 3.33Å; R670-S672 PolarHBondContact O-N 3.07Å; R670-A673 WeakPolarHBondContact O-CB 3.24Å; R670-A673 PolarHBondContact O-N 3.09Å; R670-L674 WeakPolarHBondContact O-CD1 3.23Å; R670-L674 PolarHBondContact O-N 2.94Å
671	F	33.6	Very low	31.2	Very low	94 Å²	94	114.1 Å²	114.1	41%	0.412	58%	0.582	S	S	.	*	H	α-helix	trans	-58	-42.9	174.7	-120.2	-101.6	0	0	0	112.6	L618 T667 L668 A673 L674 A675	L618-F671 HydrophobicContact CD2-CD1 3.77Å; L618-F671 HydrophobicContact CD2-CE1 3.71Å; T667-F671 PolarHBondContact O-N 3.22Å; L668-F671 WeakPolarHBondContact O-CB 3.48Å; L668-F671 PolarHBondContact O-N 2.99Å; L668-F671 VanDerWaalsContact O-N 3.13Å; F671-A673 VanDerWaalsContact C-N 3.25Å; F671-A673 PolarHBondContact O-N 3.33Å; F671-L674 PolarHBondContact O-N 3.25Å; F671-A675 PolarHBondContact O-N 3.31Å
672	S	30.4	Very low	31.2	Very low	71 Å²	71	114 Å²	114	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-56.3	-39.6	174	-56.8	0	0	0	0	112.2	L668 R670 A675 H676	L668-S672 PolarHBondContact O-N 2.99Å; L668-S672 PolarHBondContact O-OG 3.49Å; L668-S672 VanDerWaalsContact O-OG 3.1Å; R670-S672 VanDerWaalsContact C-N 3.33Å; R670-S672 PolarHBondContact O-N 3.07Å; S672-A675 PolarHBondContact O-N 3.34Å; S672-H676 WeakPolarHBondContact O-CB 3.42Å; S672-H676 PolarHBondContact O-N 3.29Å
673	A	31.9	Very low	31.5	Very low	54 Å²	54	112.5 Å²	112.5	45%	0.446	58%	0.58	S	S	.	*	H	α-helix	trans	-73.5	-27.2	-180	0	0	0	0	0	114.1	L669 R670 F671	L669-A673 PolarHBondContact O-N 2.91Å; R670-A673 WeakPolarHBondContact O-CB 3.24Å; R670-A673 PolarHBondContact O-N 3.09Å; F671-A673 VanDerWaalsContact C-N 3.25Å; F671-A673 PolarHBondContact O-N 3.33Å
674	L	34	Very low	31.2	Very low	42 Å²	42	112 Å²	112	22%	0.22	58%	0.581	C	S	.	*	H	α-helix	trans	-67.2	-50.8	169.7	-84.1	77.3	0	0	0	111	E52 R670 F671 H676 R677	E52-L674 HydrophobicContact CB-CD2 3.73Å; E52-L674 VanDerWaalsContact CD-CG 3.49Å; E52-L674 HydrophobicContact CG-CD1 4.05Å; E52-L674 HydrophobicContact CG-CD2 3.64Å; E52-L674 HydrophobicContact CG-CG 4.07Å; E52-L674 VanDerWaalsContact OE1-CD1 3.26Å; E52-L674 WeakPolarHBondContact OE1-CD1 3.48Å; E52-L674 WeakPolarHBondContact OE1-CG 3.41Å; R670-L674 WeakPolarHBondContact O-CD1 3.23Å; R670-L674 PolarHBondContact O-N 2.94Å; F671-L674 PolarHBondContact O-N 3.25Å; L674-H676 PolarHBondContact O-N 3.12Å; L674-R677 PolarHBondContact O-N 3.49Å
675	A	32.2	Very low	30.9	Very low	51 Å²	51	112.6 Å²	112.6	42%	0.421	59%	0.591	S	S	.	*	H	α-helix	trans	-56.4	-38	-178.9	0	0	0	0	0	110.9	L618 F671 S672 R677	L618-A675 HydrophobicContact CD1-CB 4.37Å; F671-A675 PolarHBondContact O-N 3.31Å; S672-A675 PolarHBondContact O-N 3.34Å; A675-R677 VanDerWaalsContact C-N 3.26Å; A675-R677 PolarHBondContact O-N 3.08Å
676	H	31.4	Very low	30.6	Very low	106 Å²	106	119.2 Å²	119.2	49%	0.491	62%	0.618	S	S	.	*	H	α-helix	trans	-69.9	-10.4	178.3	-134.6	-61.3	0	0	0	115.9	S672 L674	S672-H676 WeakPolarHBondContact O-CB 3.42Å; S672-H676 PolarHBondContact O-N 3.29Å; L674-H676 PolarHBondContact O-N 3.12Å
677	R	33.3	Very low	30.6	Very low	176 Å²	176	115.8 Å²	115.8	66%	0.664	61%	0.613	S	S	*	*	H	α-helix	trans	-106.5	-12.7	-178.3	-78.6	176.5	167.3	-165.9	-0.7	114.4	F46 L674 A675	F46-R677 HydrophobicContact CE1-CG 4.41Å; L674-R677 PolarHBondContact O-N 3.49Å; A675-R677 VanDerWaalsContact C-N 3.26Å; A675-R677 PolarHBondContact O-N 3.08Å
678	R	33.9	Very low	30.5	Very low	159 Å²	159	117.4 Å²	117.4	60%	0.6	62%	0.618	S	S	*	*	H	α-helix	trans	-100.4	-5.2	176.8	-77.9	-179.6	162.3	167.7	-5.8	113.7	C48	C48-R678 PolarHBondContact SG-NH2 2.86Å; C48-R678 VanDerWaalsContact SG-NH2 3.45Å
679	S	28.4	Very low	30.4	Very low	61 Å²	61	118 Å²	118	43%	0.427	62%	0.621	S	S	.	*	S	Bend	trans	-95.1	132.3	169.7	55.6	0	0	0	0	111.3	A681	S679-A681 PolarHBondContact O-N 3.4Å; S679-A681 VanDerWaalsContact O-N 3.1Å
680	S	30.1	Very low	30.4	Very low	135 Å²	135	117.7 Å²	117.7	94%	0.944	62%	0.62	S	S	*	*	S	Bend	trans	-81	25	178.9	-43.9	0	0	0	0	113.6
681	A	28.4	Very low	30.2	Very low	61 Å²	61	113.9 Å²	113.9	50%	0.504	62%	0.616	S	S	.	*			trans	-125.2	120.5	-168.7	0	0	0	0	0	111	S679 I683	S679-A681 PolarHBondContact O-N 3.4Å; S679-A681 VanDerWaalsContact O-N 3.1Å; A681-I683 PolarHBondContact O-N 3.05Å
682	P	26.9	Very low	30	Very low	119 Å²	119	115.2 Å²	115.2	77%	0.773	63%	0.63	S	S	*	*			trans	-74.8	122.2	172	30.6	-31.2	0	0	0	109.6	T684	P682-T684 PolarHBondContact O-N 3.44Å
683	I	31.7	Very low	29.9	Very low	129 Å²	129	118.4 Å²	118.4	66%	0.662	64%	0.639	S	S	*	*			trans	-79.7	113.1	162.4	-62.1	179.6	0	0	0	106.5	A681	A681-I683 PolarHBondContact O-N 3.05Å
684	T	25.3	Very low	29.8	Very low	118 Å²	118	123.3 Å²	123.3	72%	0.724	65%	0.654	S	S	*	*			trans	-70.4	130.6	164.1	45.4	0	0	0	0	108.8	P682 H686	P682-T684 PolarHBondContact O-N 3.44Å; T684-H686 PolarHBondContact O-N 3.3Å
685	E	24.6	Very low	29.4	Very low	192 Å²	192	130.1 Å²	130.1	90%	0.897	69%	0.69	S	S	*	*			trans	-57.2	121.6	177.2	-65	175.4	139.4	0	0	111
686	H	27.1	Very low	29.2	Very low	254 Å²	254	137.3 Å²	137.3	100%	1.176	72%	0.715	S	S	*	*			trans	-156.8	0	167	-113.5	-45.8	0	0	0	111.8	T684	T684-H686 PolarHBondContact O-N 3.3Å

Retrieved 686 of 686 residues in 1073.7 ms (Link to these results)

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