A0A3Q0KT94_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KT94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 549 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	26.9	Very low	222 Å²	222	158.5 Å²	158.5	100%	1.094	78%	0.78	S	S	*	*				0	120.3	0	-62.8	173.9	92	0	0	106.4
2	Y	24	Very low	27	Very low	224 Å²	224	155.6 Å²	155.6	88%	0.878	78%	0.778	S	S	*	*			cis	-92.3	173.8	2.1	-79.5	-100.2	0	0	0	112.9
3	D	24.8	Very low	27.3	Very low	143 Å²	143	155.7 Å²	155.7	77%	0.765	78%	0.78	S	S	*	*			trans	-129.7	141.3	179.7	-157.8	-23.9	0	0	0	106.7
4	L	25	Very low	27.5	Very low	156 Å²	156	154 Å²	154	82%	0.817	77%	0.768	S	S	*	*			trans	-162.2	72.5	176.6	-115.9	159.3	0	0	0	114.3
5	H	28.3	Very low	27.8	Very low	156 Å²	156	151.9 Å²	151.9	72%	0.722	77%	0.774	S	S	*	*			trans	54.6	99.8	144.8	-70.4	-74.7	0	0	0	120.9
6	K	25.2	Very low	27.9	Very low	157 Å²	157	152.8 Å²	152.8	68%	0.683	77%	0.774	S	S	*	*			trans	-53.3	127.3	150.6	-179.8	175.6	-174.2	168.3	0	111.6	E9	K6-E9 WeakPolarHBondContact CE-OE1 3.23Å; K6-E9 IonicContact NZ-OE1 3.55Å; K6-E9 PolarHBondContact NZ-OE1 3.4Å; K6-E9 IonicContact NZ-OE2 2.81Å; K6-E9 PolarHBondContact NZ-OE2 2.72Å
7	I	28.6	Very low	28.2	Very low	138 Å²	138	152.3 Å²	152.3	71%	0.708	77%	0.773	S	S	*	*			trans	-133.1	109.5	162.6	-61.8	-175.9	0	0	0	109.8
8	N	29.1	Very low	28.4	Very low	136 Å²	136	153.5 Å²	153.5	73%	0.727	78%	0.782	S	S	*	*			trans	52.6	96.5	158.5	-55.4	-9.1	0	0	0	118.4	I10	N8-I10 PolarHBondContact O-N 2.92Å
9	E	26	Very low	28.5	Very low	152 Å²	152	152.1 Å²	152.1	71%	0.71	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-53.3	124.1	150.7	-68.4	123.7	-163.8	0	0	109.7	K6	K6-E9 WeakPolarHBondContact CE-OE1 3.23Å; K6-E9 IonicContact NZ-OE1 3.55Å; K6-E9 PolarHBondContact NZ-OE1 3.4Å; K6-E9 IonicContact NZ-OE2 2.81Å; K6-E9 PolarHBondContact NZ-OE2 2.72Å
10	I	27.4	Very low	28.7	Very low	154 Å²	154	149.3 Å²	149.3	79%	0.79	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-87.8	126.9	162.1	-62.8	176.6	0	0	0	105.8	N8 T12	N8-I10 PolarHBondContact O-N 2.92Å; I10-T12 PolarHBondContact O-N 2.95Å
11	P	28	Very low	28.9	Very low	106 Å²	106	147.5 Å²	147.5	69%	0.688	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.1	130.4	-176.7	26.3	-33.8	0	0	0	110.8	I13	P11-I13 PolarHBondContact O-N 2.87Å
12	T	27.6	Very low	29	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-58	123.6	167.5	30	0	0	0	0	109.7	I10	I10-T12 PolarHBondContact O-N 2.95Å
13	I	30.9	Very low	29.6	Very low	157 Å²	157	135.4 Å²	135.4	81%	0.805	71%	0.713	S	S	*	*			trans	-93.7	101.4	173	-60.6	172.1	0	0	0	106.1	P11 S15	P11-I13 PolarHBondContact O-N 2.87Å; I13-S15 PolarHBondContact O-N 2.9Å
14	H	30.6	Very low	30	Very low	132 Å²	132	137.9 Å²	137.9	61%	0.611	71%	0.712	S	S	*	*			trans	-58.8	135.6	171.7	-77.8	-105.5	0	0	0	109.6	E16 E531	H14-E16 VanDerWaalsContact C-N 3.33Å; H14-E16 PolarHBondContact O-N 3.08Å; H14-E531 IonicContact CE1-OE1 2.65Å; H14-E531 PolarHBondContact CE1-OE1 2.99Å; H14-E531 VanDerWaalsContact CE1-OE1 3.29Å; H14-E531 IonicContact ND1-OE1 3.34Å; H14-E531 PolarHBondContact ND1-OE1 3.17Å
15	S	31.2	Very low	30.4	Very low	123 Å²	123	135.4 Å²	135.4	86%	0.86	70%	0.699	S	S	*	*			trans	-91.5	40.3	-163.5	42.7	0	0	0	0	114.2	I13 L17	I13-S15 PolarHBondContact O-N 2.9Å; S15-L17 PolarHBondContact O-N 2.85Å
16	E	30	Very low	30.6	Very low	166 Å²	166	135.3 Å²	135.3	78%	0.776	69%	0.693	S	S	*	*			trans	-86.5	90.8	172.5	-68.8	-161.2	137.9	0	0	112	H14	H14-E16 VanDerWaalsContact C-N 3.33Å; H14-E16 PolarHBondContact O-N 3.08Å
17	L	33.7	Very low	31.1	Very low	144 Å²	144	130.8 Å²	130.8	75%	0.754	68%	0.677	S	S	*	*	S	Bend	trans	160.4	142.1	142.2	-88.4	159.6	0	0	0	111.5	S15 I19	S15-L17 PolarHBondContact O-N 2.85Å; L17-I19 VanDerWaalsContact C-N 3.26Å; L17-I19 HydrophobicContact CB-CD1 4.09Å; L17-I19 HydrophobicContact CB-CG1 3.81Å; L17-I19 PolarHBondContact O-N 3.48Å
18	N	30.9	Very low	31.4	Very low	174 Å²	174	131.2 Å²	131.2	93%	0.93	67%	0.673	S	S	*	*			trans	-70.4	75.2	170.6	-81.3	-58.8	0	0	0	111.7
19	I	31.2	Very low	31.7	Very low	126 Å²	126	130.6 Å²	130.6	65%	0.646	67%	0.669	S	S	*	*			trans	-100	116.5	177.2	-56	180	0	0	0	109.2	L17 L21	L17-I19 VanDerWaalsContact C-N 3.26Å; L17-I19 HydrophobicContact CB-CD1 4.09Å; L17-I19 HydrophobicContact CB-CG1 3.81Å; L17-I19 PolarHBondContact O-N 3.48Å; I19-L21 PolarHBondContact O-N 2.93Å
20	P	31.4	Very low	32.1	Very low	97 Å²	97	128.1 Å²	128.1	63%	0.63	66%	0.661	S	S	*	*			trans	-62.7	137.8	176.8	26.2	-33.8	0	0	0	110.8	D22	P20-D22 PolarHBondContact O-N 2.86Å
21	L	32.5	Very low	32.4	Very low	111 Å²	111	126.6 Å²	126.6	58%	0.581	65%	0.649	S	S	*	*			trans	-48.3	105.4	-166.3	-162.4	84.5	0	0	0	113.2	I19 L23	I19-L21 PolarHBondContact O-N 2.93Å; L21-L23 WeakPolarHBondContact O-CD1 3.38Å; L21-L23 PolarHBondContact O-N 2.94Å
22	D	32.8	Very low	32.6	Very low	70 Å²	70	127 Å²	127	37%	0.374	65%	0.649	S	S	.	*			trans	-69.9	100.1	-179.3	-177.8	13.6	0	0	0	111	P20 R24 L25	P20-D22 PolarHBondContact O-N 2.86Å; D22-R24 PolarHBondContact O-N 2.8Å; D22-R24 WeakPolarHBondContact OD1-CB 3.35Å; D22-R24 VanDerWaalsContact OD1-CD 3.23Å; D22-R24 WeakPolarHBondContact OD1-CD 3.01Å; D22-R24 WeakPolarHBondContact OD1-CG 3.19Å; D22-R24 PolarHBondContact OD1-N 3.17Å; D22-R24 IonicContact OD1-NE 3.75Å; D22-R24 WeakPolarHBondContact OD2-CB 2.76Å; D22-L25 WeakPolarHBondContact O-CB 3.14Å; D22-L25 PolarHBondContact O-N 2.93Å
23	L	35.8	Very low	32.8	Very low	123 Å²	123	129.3 Å²	129.3	64%	0.644	65%	0.649	S	S	*	*	H	α-helix	trans	-57.8	-13.1	174.9	-71.9	100.3	0	0	0	113.1	L21 N27	L21-L23 WeakPolarHBondContact O-CD1 3.38Å; L21-L23 PolarHBondContact O-N 2.94Å; L23-N27 VanDerWaalsContact O-CB 3.27Å; L23-N27 WeakPolarHBondContact O-CB 3.48Å; L23-N27 PolarHBondContact O-N 2.81Å; L23-N27 PolarHBondContact O-ND2 2.91Å
24	R	33.4	Very low	32.7	Very low	194 Å²	194	129.3 Å²	129.3	73%	0.732	64%	0.643	S	S	*	*	H	α-helix	trans	-71.1	-30.5	170.6	-51	160.1	-167.4	-164.6	2.9	112	D22 N27 K28	D22-R24 PolarHBondContact O-N 2.8Å; D22-R24 WeakPolarHBondContact OD1-CB 3.35Å; D22-R24 VanDerWaalsContact OD1-CD 3.23Å; D22-R24 WeakPolarHBondContact OD1-CD 3.01Å; D22-R24 WeakPolarHBondContact OD1-CG 3.19Å; D22-R24 PolarHBondContact OD1-N 3.17Å; D22-R24 IonicContact OD1-NE 3.75Å; D22-R24 WeakPolarHBondContact OD2-CB 2.76Å; R24-N27 CarbonylContact O-C 3.53Å; R24-N27 PolarHBondContact O-N 2.9Å; R24-K28 PolarHBondContact O-N 3.39Å
25	L	34.8	Very low	32.5	Very low	104 Å²	104	132 Å²	132	55%	0.545	65%	0.653	S	S	.	*	H	α-helix	trans	-69.5	-47.8	172.1	-95.8	160.9	0	0	0	111.2	D22 N27 K28 L29	D22-L25 WeakPolarHBondContact O-CB 3.14Å; D22-L25 PolarHBondContact O-N 2.93Å; L25-N27 PolarHBondContact O-N 2.78Å; L25-K28 WeakPolarHBondContact O-CA 3.42Å; L25-K28 WeakPolarHBondContact O-CB 3.04Å; L25-K28 PolarHBondContact O-N 3.49Å; L25-L29 PolarHBondContact O-N 3.01Å
26	Y	30.6	Very low	32.4	Very low	154 Å²	154	135.7 Å²	135.7	60%	0.604	65%	0.654	S	S	*	*	H	α-helix	trans	-58.9	-37.4	172.7	-153.3	-94	0	0	0	111.5	N30	Y26-N30 WeakPolarHBondContact O-CB 3.15Å; Y26-N30 PolarHBondContact O-N 3.29Å
27	N	37.3	Very low	32.4	Very low	63 Å²	63	134.4 Å²	134.4	34%	0.337	65%	0.651	S	S	.	*	H	α-helix	trans	-69.6	-29.5	170.7	-90.8	-86.4	0	0	0	114.1	L23 R24 L25 K31	L23-N27 VanDerWaalsContact O-CB 3.27Å; L23-N27 WeakPolarHBondContact O-CB 3.48Å; L23-N27 PolarHBondContact O-N 2.81Å; L23-N27 PolarHBondContact O-ND2 2.91Å; R24-N27 CarbonylContact O-C 3.53Å; R24-N27 PolarHBondContact O-N 2.9Å; L25-N27 PolarHBondContact O-N 2.78Å; N27-K31 WeakPolarHBondContact O-CB 3.27Å; N27-K31 WeakPolarHBondContact O-CD 3.25Å; N27-K31 WeakPolarHBondContact O-CG 3.26Å; N27-K31 PolarHBondContact O-N 2.86Å
28	K	34.8	Very low	32.2	Very low	147 Å²	147	136.3 Å²	136.3	64%	0.639	65%	0.653	S	S	*	*	H	α-helix	trans	-66.5	-50.9	174	-96.3	178.4	172.7	177	0	109.9	R24 L25 N30 K31 T32	R24-K28 PolarHBondContact O-N 3.39Å; L25-K28 WeakPolarHBondContact O-CA 3.42Å; L25-K28 WeakPolarHBondContact O-CB 3.04Å; L25-K28 PolarHBondContact O-N 3.49Å; K28-N30 PolarHBondContact O-N 2.84Å; K28-K31 PolarHBondContact O-N 3.33Å; K28-T32 PolarHBondContact O-N 3.31Å; K28-T32 PolarHBondContact O-OG1 3.28Å
29	L	34	Very low	32	Very low	122 Å²	122	137.4 Å²	137.4	64%	0.639	65%	0.652	S	S	*	*	H	α-helix	trans	-61.8	-39.7	178.8	-69.3	166.3	0	0	0	112.4	L25 K31 T32	L25-L29 PolarHBondContact O-N 3.01Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-K31 PolarHBondContact O-N 3.46Å; L29-T32 PolarHBondContact O-OG1 3.34Å
30	N	34.2	Very low	31.9	Very low	101 Å²	101	138.4 Å²	138.4	54%	0.54	65%	0.654	S	S	.	*	H	α-helix	trans	-76.7	-12.6	172.3	-97.1	-69.8	0	0	0	114.7	Y26 K28	Y26-N30 WeakPolarHBondContact O-CB 3.15Å; Y26-N30 PolarHBondContact O-N 3.29Å; K28-N30 PolarHBondContact O-N 2.84Å
31	K	34.7	Very low	31.8	Very low	122 Å²	122	142 Å²	142	53%	0.53	66%	0.66	S	S	.	*	H	α-helix	trans	-91.5	-27.7	174.7	-77.3	166.4	-165.9	173.7	0	112.7	N27 K28 L29 K33 K34	N27-K31 WeakPolarHBondContact O-CB 3.27Å; N27-K31 WeakPolarHBondContact O-CD 3.25Å; N27-K31 WeakPolarHBondContact O-CG 3.26Å; N27-K31 PolarHBondContact O-N 2.86Å; K28-K31 PolarHBondContact O-N 3.33Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-K31 PolarHBondContact O-N 3.46Å; K31-K33 VanDerWaalsContact C-N 3.34Å; K31-K34 WeakPolarHBondContact O-CB 3.49Å; K31-K34 PolarHBondContact O-N 2.84Å; K31-K34 VanDerWaalsContact O-N 3.17Å
32	T	33.2	Very low	31.5	Very low	115 Å²	115	146.6 Å²	146.6	71%	0.706	68%	0.676	S	S	*	*	H	α-helix	trans	-69.7	-28.2	177	47	0	0	0	0	113.1	K28 L29 K34	K28-T32 PolarHBondContact O-N 3.31Å; K28-T32 PolarHBondContact O-OG1 3.28Å; L29-T32 PolarHBondContact O-OG1 3.34Å; T32-K34 VanDerWaalsContact C-N 3.27Å; T32-K34 PolarHBondContact O-N 2.96Å
33	K	31.6	Very low	31.3	Very low	171 Å²	171	152.2 Å²	152.2	74%	0.743	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	10.7	169.6	-75.1	-174	176.1	178.1	0	114.7	K31 F35	K31-K33 VanDerWaalsContact C-N 3.34Å; K33-F35 PolarHBondContact O-N 3.31Å
34	K	28.8	Very low	30.9	Very low	156 Å²	156	154.4 Å²	154.4	68%	0.678	70%	0.701	S	S	*	*			trans	-75.1	90.8	171.4	-75.7	-165.9	172.9	-164.4	0	111.9	K31 T32 K36	K31-K34 WeakPolarHBondContact O-CB 3.49Å; K31-K34 PolarHBondContact O-N 2.84Å; K31-K34 VanDerWaalsContact O-N 3.17Å; T32-K34 VanDerWaalsContact C-N 3.27Å; T32-K34 PolarHBondContact O-N 2.96Å; K34-K36 PolarHBondContact O-N 3.27Å; K34-K36 VanDerWaalsContact O-N 3.08Å
35	F	26.3	Very low	30.6	Very low	189 Å²	189	155 Å²	155	83%	0.829	71%	0.709	S	S	*	*			trans	-52.2	114.1	164.4	-82.4	-92.8	0	0	0	110.8	K33 I37	K33-F35 PolarHBondContact O-N 3.31Å; F35-I37 HydrophobicContact CB-CG1 4.4Å; F35-I37 PolarHBondContact O-N 3Å
36	K	28	Very low	30.3	Very low	201 Å²	201	157.7 Å²	157.7	87%	0.874	71%	0.713	S	S	*	*			trans	-72.5	79.3	168.9	-90.7	-178	172.9	172.1	0	109.6	K34 K38	K34-K36 PolarHBondContact O-N 3.27Å; K34-K36 VanDerWaalsContact O-N 3.08Å; K36-K38 PolarHBondContact O-N 2.94Å
37	I	30.2	Very low	30.1	Very low	139 Å²	139	158.4 Å²	158.4	71%	0.713	72%	0.719	S	S	*	*			trans	-68.9	88	164.9	-56	179	0	0	0	107.3	F35	F35-I37 HydrophobicContact CB-CG1 4.4Å; F35-I37 PolarHBondContact O-N 3Å
38	K	30.1	Very low	29.7	Very low	184 Å²	184	161.4 Å²	161.4	80%	0.8	75%	0.745	S	S	*	*			trans	-60.4	148.6	166.6	-90.7	-173.8	170.3	-175.8	0	108.9	K36 E40	K36-K38 PolarHBondContact O-N 2.94Å; K38-E40 PolarHBondContact O-N 3.18Å
39	H	26.3	Very low	29.4	Very low	197 Å²	197	161.8 Å²	161.8	91%	0.912	75%	0.747	S	S	*	*	S	Bend	trans	-61.1	98.7	173.8	-84.9	-117.5	0	0	0	111.2
40	E	29.4	Very low	29.1	Very low	147 Å²	147	161.2 Å²	161.2	69%	0.687	75%	0.753	S	S	*	*			trans	-154.8	119.1	147.1	-115	-172	134.5	0	0	113.2	K38	K38-E40 PolarHBondContact O-N 3.18Å
41	K	28.8	Very low	28.6	Very low	171 Å²	171	165.4 Å²	165.4	74%	0.743	76%	0.762	S	S	*	*			trans	47.9	80.2	150.8	-62.1	156.5	-174.1	160.6	0	116.6	K43	K41-K43 PolarHBondContact O-N 3.42Å
42	F	25.6	Very low	28.4	Very low	209 Å²	209	166.1 Å²	166.1	92%	0.917	77%	0.772	S	S	*	*			trans	-51.9	105.7	161.1	-97.8	-87.2	0	0	0	111.1
43	K	29.8	Very low	28.1	Very low	187 Å²	187	166.2 Å²	166.2	81%	0.813	78%	0.777	S	S	*	*			trans	-105.5	120.9	174	-147.9	176.4	-173.1	-177.9	0	108.7	K41 F45	K41-K43 PolarHBondContact O-N 3.42Å; K43-F45 PolarHBondContact O-N 3.46Å
44	K	26.5	Very low	28	Very low	169 Å²	169	166 Å²	166	74%	0.735	78%	0.776	S	S	*	*			trans	-56.8	124.8	-173.7	-67.6	171	178	171.2	0	111.9	Y46	K44-Y46 HydrophobicContact CB-CD2 4.11Å; K44-Y46 HydrophobicContact CB-CE2 3.88Å; K44-Y46 HydrophobicContact CD-CE2 4.1Å
45	F	28.4	Very low	28	Very low	206 Å²	206	167.1 Å²	167.1	90%	0.904	78%	0.783	S	S	*	*			trans	-105.2	153.1	149	-84.4	-86.8	0	0	0	109.8	K43	K43-F45 PolarHBondContact O-N 3.46Å
46	Y	27.4	Very low	28.2	Very low	162 Å²	162	166.2 Å²	166.2	64%	0.635	78%	0.779	S	S	*	*			trans	-112.6	136.9	-152.6	-97	-129.2	0	0	0	113.8	K44	K44-Y46 HydrophobicContact CB-CD2 4.11Å; K44-Y46 HydrophobicContact CB-CE2 3.88Å; K44-Y46 HydrophobicContact CD-CE2 4.1Å
47	K	27	Very low	28.3	Very low	168 Å²	168	163.8 Å²	163.8	73%	0.73	78%	0.775	S	S	*	*			trans	41.1	100.2	141.8	-55.7	-179.9	-175.1	178.1	0	117.9
48	S	27.8	Very low	28.4	Very low	126 Å²	126	165.3 Å²	165.3	88%	0.881	78%	0.776	S	S	*	*				-70.8	148.6	126.9	53.3	0	0	0	0	108.7
49	K	28.4	Very low	28.4	Very low	156 Å²	156	163.8 Å²	163.8	68%	0.678	78%	0.777	S	S	*	*			trans	-93.5	117.4	-174.6	-69.3	175.7	-174.9	168	0	110.9	Y51	K49-Y51 HydrophobicContact CB-CD2 3.95Å; K49-Y51 HydrophobicContact CB-CE2 3.64Å; K49-Y51 HydrophobicContact CD-CE2 3.86Å; K49-Y51 HydrophobicContact CG-CE2 4.44Å; K49-Y51 WeakPolarHBondContact O-CD2 3.31Å; K49-Y51 PolarHBondContact O-N 3.12Å
50	S	28.2	Very low	28.8	Very low	109 Å²	109	161 Å²	161	76%	0.762	77%	0.769	S	S	*	*			trans	-71.4	104.3	163	47.9	0	0	0	0	110.1	L52	S50-L52 PolarHBondContact O-N 3.1Å
51	Y	25.1	Very low	29	Very low	189 Å²	189	162.6 Å²	162.6	74%	0.741	78%	0.776	S	S	*	*			trans	-77.4	59.7	173.6	-81.3	-93.3	0	0	0	111.3	K49 S53	K49-Y51 HydrophobicContact CB-CD2 3.95Å; K49-Y51 HydrophobicContact CB-CE2 3.64Å; K49-Y51 HydrophobicContact CD-CE2 3.86Å; K49-Y51 HydrophobicContact CG-CE2 4.44Å; K49-Y51 WeakPolarHBondContact O-CD2 3.31Å; K49-Y51 PolarHBondContact O-N 3.12Å; Y51-S53 PolarHBondContact O-N 2.9Å
52	L	29	Very low	29.4	Very low	138 Å²	138	159.8 Å²	159.8	72%	0.723	78%	0.775	S	S	*	*			trans	-73.8	106.9	168.3	-128.6	81.2	0	0	0	108.8	S50 K54	S50-L52 PolarHBondContact O-N 3.1Å; L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3.27Å
53	S	27	Very low	29.9	Very low	116 Å²	116	157.5 Å²	157.5	81%	0.811	77%	0.767	S	S	*	*			trans	-67.7	79.7	176.9	39.2	0	0	0	0	111.3	Y51 Q55	Y51-S53 PolarHBondContact O-N 2.9Å; S53-Q55 VanDerWaalsContact C-N 3.28Å; S53-Q55 PolarHBondContact O-N 2.75Å
54	K	30.1	Very low	30.2	Very low	168 Å²	168	155.4 Å²	155.4	73%	0.73	76%	0.761	S	S	*	*			trans	-68.3	78.3	177	-73.4	178.4	175.9	173.2	0	112	L52 K56	L52-K54 VanDerWaalsContact C-N 3.28Å; L52-K54 PolarHBondContact O-N 3.27Å; K54-K56 PolarHBondContact O-N 3.41Å
55	Q	28.7	Very low	30.6	Very low	178 Å²	178	154.5 Å²	154.5	83%	0.832	76%	0.759	S	S	*	*			trans	-65.4	83.9	159.5	-81.4	-168.7	-14.8	0	0	109.6	S53 L57	S53-Q55 VanDerWaalsContact C-N 3.28Å; S53-Q55 PolarHBondContact O-N 2.75Å; Q55-L57 VanDerWaalsContact C-N 3.31Å; Q55-L57 PolarHBondContact O-N 3.39Å
56	K	31.3	Very low	31	Very low	171 Å²	171	152.8 Å²	152.8	74%	0.743	75%	0.753	S	S	*	*			trans	-75	84.8	166.2	-76.9	-168	170.8	-167.4	0	109.4	K54 K58	K54-K56 PolarHBondContact O-N 3.41Å; K56-K58 PolarHBondContact O-N 3.07Å
57	L	30.1	Very low	31.4	Very low	149 Å²	149	149.5 Å²	149.5	78%	0.78	75%	0.752	S	S	*	*			trans	-62.8	101.3	161.2	-89.7	164.7	0	0	0	108.8	Q55 N59	Q55-L57 VanDerWaalsContact C-N 3.31Å; Q55-L57 PolarHBondContact O-N 3.39Å; L57-N59 PolarHBondContact O-N 3.12Å
58	K	31.7	Very low	32.1	Very low	172 Å²	172	149.8 Å²	149.8	75%	0.748	76%	0.755	S	S	*	*			trans	-80.6	84.2	176.5	-75.9	-176.7	173.5	-178.7	0	110.3	K56 N60	K56-K58 PolarHBondContact O-N 3.07Å; K58-N60 PolarHBondContact O-N 3.18Å
59	N	30.6	Very low	32.7	Very low	152 Å²	152	152.2 Å²	152.2	81%	0.813	75%	0.752	S	S	*	*			trans	-79.8	66.1	163.7	-76.3	9.1	0	0	0	110.5	L57	L57-N59 PolarHBondContact O-N 3.12Å
60	N	33.4	Very low	33.2	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	75%	0.751	S	S	*	*			trans	-90.8	105.3	164.8	-82.2	30.6	0	0	0	107.8	K58 P62	K58-N60 PolarHBondContact O-N 3.18Å; N60-P62 WeakPolarHBondContact O-CD 3.25Å
61	H	34.3	Very low	33.6	Very low	179 Å²	179	152.2 Å²	152.2	83%	0.829	75%	0.751	S	S	*	*			trans	-118.9	83.4	178.2	-153.8	-9.3	0	0	0	110.9
62	P	37.3	Very low	34.3	Very low	112 Å²	112	150 Å²	150	73%	0.727	75%	0.748	S	S	*	*			trans	-70.5	141.5	161.7	-7	24.6	0	0	0	108.8	N60	N60-P62 WeakPolarHBondContact O-CD 3.25Å
63	Q	36.4	Very low	34.8	Very low	161 Å²	161	149.6 Å²	149.6	75%	0.752	74%	0.742	S	S	*	*			trans	-89.7	142.6	172.5	-83	-173.2	-13.9	0	0	111.3
64	Q	34.9	Very low	35.4	Very low	144 Å²	144	150.4 Å²	150.4	67%	0.673	73%	0.733	S	S	*	*			trans	73.3	138.3	147.6	-72.8	-176.8	45	0	0	121.1
65	Q	35.8	Very low	35.9	Very low	149 Å²	149	149.8 Å²	149.8	70%	0.696	73%	0.73	S	S	*	*			trans	65.9	132.8	155.9	-59.2	167.6	46.6	0	0	117.5
66	H	37.3	Very low	36.4	Very low	170 Å²	170	148.4 Å²	148.4	79%	0.787	72%	0.724	S	S	*	*			cis	-149.5	165.5	-13.6	-109.4	-61.9	0	0	0	108.7
67	P	35.7	Very low	36.8	Very low	93 Å²	93	148.3 Å²	148.3	60%	0.604	73%	0.726	S	S	*	*			trans	-91.5	-174.7	-168.6	38.7	-37.9	0	0	0	114.9
68	H	41.2	Very low	37.3	Very low	175 Å²	175	145.9 Å²	145.9	81%	0.81	72%	0.719	S	S	*	*			trans	106.6	135.3	176	-61.3	-63.1	0	0	0	113.8
69	H	40.4	Very low	37.7	Very low	176 Å²	176	144.6 Å²	144.6	82%	0.815	72%	0.721	S	S	*	*			cis	-159.6	161	-24.8	-144.5	24.4	0	0	0	106.3
70	P	38.5	Very low	38.2	Very low	100 Å²	100	142.6 Å²	142.6	65%	0.649	72%	0.716	S	S	*	*			trans	-97.1	168	-165.2	38.6	-36.3	0	0	0	113.9
71	Q	37.2	Very low	38.5	Very low	165 Å²	165	144.6 Å²	144.6	77%	0.771	72%	0.72	S	S	*	*			trans	-165.5	120.7	143.8	-105.5	168.4	30.8	0	0	108.6
72	Q	39.1	Very low	38.7	Very low	143 Å²	143	140.5 Å²	140.5	67%	0.668	71%	0.71	S	S	*	*				82.5	148.2	102.1	-77.9	-177.5	15.2	0	0	114
73	Q	40.6	Very low	38.7	Very low	129 Å²	129	142.5 Å²	142.5	60%	0.603	71%	0.709	S	S	*	*			cis	-159.5	148.4	13.7	-129.5	174.4	67.3	0	0	111.1
74	Q	39	Very low	38.5	Very low	133 Å²	133	142.1 Å²	142.1	62%	0.621	71%	0.705	S	S	*	*			trans	65.1	152.4	148.6	-71	170.2	32.6	0	0	118.7
75	K	39.8	Very low	38.5	Very low	155 Å²	155	143.7 Å²	143.7	67%	0.674	71%	0.712	S	S	*	*			cis	-161.2	166.6	-1.4	-103.7	158.1	177.6	152.3	0	105.4
76	Q	40.2	Very low	38.3	Very low	150 Å²	150	145.4 Å²	145.4	70%	0.701	72%	0.72	S	S	*	*			cis	-157.5	153.5	-6.4	-124.6	164.5	-103.7	0	0	104.4
77	H	38.9	Very low	38.3	Very low	169 Å²	169	143 Å²	143	78%	0.782	72%	0.719	S	S	*	*			cis	64.6	132.7	46	-87.7	-77.4	0	0	0	115.8
78	P	42.1	Very low	38.2	Very low	98 Å²	98	148.9 Å²	148.9	64%	0.636	73%	0.731	S	S	*	*			cis	-129	-142.9	-22.3	38.5	-17.1	0	0	0	110.3
79	D	39.4	Very low	37.7	Very low	145 Å²	145	146.4 Å²	146.4	78%	0.775	73%	0.73	S	S	*	*			cis	-155.5	-175.8	-0.8	-118.7	-20.6	0	0	0	108.5
80	P	41.1	Very low	37.3	Very low	109 Å²	109	146.7 Å²	146.7	71%	0.708	73%	0.732	S	S	*	*			trans	-136.3	-159.8	-149	41.2	-19	0	0	0	116.6
81	Q	39.7	Very low	37	Very low	181 Å²	181	150.9 Å²	150.9	85%	0.846	74%	0.743	S	S	*	*			trans	121.3	150.7	154.8	-65.8	-124.7	-8.6	0	0	117.1
82	P	38.8	Very low	36.6	Very low	94 Å²	94	151.8 Å²	151.8	61%	0.61	75%	0.748	S	S	*	*			trans	-127	172.8	-151	42.8	-28.9	0	0	0	115.7
83	Q	36	Very low	36.1	Very low	153 Å²	153	153.3 Å²	153.3	72%	0.715	75%	0.754	S	S	*	*			trans	-175.5	147.3	130.8	-104.4	161.3	85.5	0	0	115.5
84	K	32.8	Very low	35.5	Very low	153 Å²	153	154.4 Å²	154.4	67%	0.665	76%	0.763	S	S	*	*			trans	50.8	109.6	146.3	-60.6	160.7	176.9	158.3	0	119.7
85	H	35.6	Very low	34.9	Very low	178 Å²	178	153.3 Å²	153.3	82%	0.824	77%	0.771	S	S	*	*				-179.6	146.1	89.4	-96.5	-77	0	0	0	111.1
86	H	32	Very low	34.5	Very low	185 Å²	185	153.9 Å²	153.9	86%	0.856	77%	0.77	S	S	*	*			trans	-88.5	143.2	174.7	-77.9	-88.4	0	0	0	112
87	P	36.5	Very low	34	Very low	119 Å²	119	151.9 Å²	151.9	77%	0.773	77%	0.772	S	S	*	*			trans	-107.4	151.8	144.2	-1.6	22.3	0	0	0	111.4
88	Y	32.6	Very low	33.6	Very low	216 Å²	216	147.9 Å²	147.9	85%	0.847	76%	0.763	S	S	*	*			trans	-69.6	156.3	172.6	-93	-120.2	0	0	0	112.1	Q90	Y88-Q90 PolarHBondContact O-N 3.1Å
89	P	32.3	Very low	33.3	Very low	123 Å²	123	148.2 Å²	148.2	80%	0.799	76%	0.759	S	S	*	*			trans	-69.6	100.8	168.2	30.1	-33.1	0	0	0	109.9	Q91	P89-Q91 PolarHBondContact O-N 3.44Å
90	Q	32.4	Very low	33.1	Very low	182 Å²	182	146.8 Å²	146.8	85%	0.85	75%	0.751	S	S	*	*			trans	-59.4	135.4	168.5	-74.1	178.8	-37	0	0	109.8	Y88 Q92	Y88-Q90 PolarHBondContact O-N 3.1Å; Q90-Q92 PolarHBondContact O-N 3.49Å
91	Q	30.9	Very low	32.9	Very low	189 Å²	189	147.3 Å²	147.3	88%	0.883	76%	0.757	S	S	*	*			trans	-59.3	124.9	176.1	-70.3	169.1	-29.2	0	0	109.3	P89 H93	P89-Q91 PolarHBondContact O-N 3.44Å; Q91-H93 VanDerWaalsContact C-N 3.25Å; Q91-H93 PolarHBondContact O-N 3.32Å
92	Q	28.2	Very low	33.8	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	74%	0.743	S	S	*	*			trans	-74.6	84.3	175.7	-70.7	-175.4	-6.5	0	0	109.2	Q90 L94	Q90-Q92 PolarHBondContact O-N 3.49Å; Q92-L94 VanDerWaalsContact C-N 3.33Å; Q92-L94 PolarHBondContact O-N 3.03Å
93	H	28.4	Very low	35	Very low	175 Å²	175	142.9 Å²	142.9	81%	0.81	73%	0.733	S	S	*	*			trans	-62.2	95.3	170.6	-159.5	-81.9	0	0	0	108.1	Q91 S95	Q91-H93 VanDerWaalsContact C-N 3.25Å; Q91-H93 PolarHBondContact O-N 3.32Å; H93-S95 PolarHBondContact O-N 3.4Å
94	L	28.8	Very low	36.4	Very low	151 Å²	151	136.6 Å²	136.6	79%	0.791	70%	0.704	S	S	*	*			trans	-57.7	108.7	-173.4	-87	164	0	0	0	109.5	Q92 Y96	Q92-L94 VanDerWaalsContact C-N 3.33Å; Q92-L94 PolarHBondContact O-N 3.03Å; L94-Y96 PolarHBondContact O-N 3.38Å; L94-Y96 VanDerWaalsContact O-N 3.15Å
95	S	27.4	Very low	37.8	Very low	111 Å²	111	133 Å²	133	78%	0.776	69%	0.692	S	S	*	*			trans	-63.3	116.6	-176.1	-43.4	0	0	0	0	109	H93 S97	H93-S95 PolarHBondContact O-N 3.4Å; S95-S97 PolarHBondContact O-N 2.99Å
96	Y	31.3	Very low	39.3	Very low	166 Å²	166	124.6 Å²	124.6	65%	0.651	65%	0.653	S	S	*	*			trans	-54.3	114.7	174.8	-103.8	-106.1	0	0	0	108.9	L94 S98	L94-Y96 PolarHBondContact O-N 3.38Å; L94-Y96 VanDerWaalsContact O-N 3.15Å; Y96-S98 PolarHBondContact O-N 3.02Å
97	S	29.1	Very low	40.6	Very low	109 Å²	109	117.8 Å²	117.8	76%	0.762	63%	0.626	S	S	*	*			trans	-75.5	97.1	-178.1	57.5	0	0	0	0	109.8	S95 I99	S95-S97 PolarHBondContact O-N 2.99Å; S97-I99 PolarHBondContact O-N 3.04Å
98	S	29.7	Very low	41.8	Very low	84 Å²	84	115.2 Å²	115.2	59%	0.587	61%	0.605	S	S	*	*			trans	13.3	94.9	160.2	-89.9	0	0	0	0	116.4	Y96 D100	Y96-S98 PolarHBondContact O-N 3.02Å; S98-D100 VanDerWaalsContact CB-CG 3.42Å; S98-D100 WeakPolarHBondContact CB-OD1 3.47Å; S98-D100 WeakPolarHBondContact CB-OD2 3.47Å; S98-D100 PolarHBondContact O-N 2.91Å; S98-D100 VanDerWaalsContact O-N 3.11Å; S98-D100 PolarHBondContact OG-OD1 2.83Å
99	I	36.6	Very low	43.6	Very low	106 Å²	106	106.3 Å²	106.3	54%	0.544	57%	0.574	S	S	.	*			trans	-79.5	71.5	149.2	-54.6	178.8	0	0	0	106.1	S97 S101 N102 F116	S97-I99 PolarHBondContact O-N 3.04Å; I99-S101 PolarHBondContact O-N 3.49Å; I99-N102 HydrophobicContact CG2-CB 4.33Å; I99-F116 HydrophobicContact CD1-CD2 4.45Å
100	D	35.6	Very low	45.3	Very low	115 Å²	115	106.2 Å²	106.2	62%	0.615	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	111.6	-174.7	-74.1	-27.6	0	0	0	110.7	S98 N102	S98-D100 VanDerWaalsContact CB-CG 3.42Å; S98-D100 WeakPolarHBondContact CB-OD1 3.47Å; S98-D100 WeakPolarHBondContact CB-OD2 3.47Å; S98-D100 PolarHBondContact O-N 2.91Å; S98-D100 VanDerWaalsContact O-N 3.11Å; S98-D100 PolarHBondContact OG-OD1 2.83Å; D100-N102 PolarHBondContact O-N 2.99Å
101	S	36.4	Very low	47	Very low	120 Å²	120	98.5 Å²	98.5	84%	0.839	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	45.5	166.1	56.7	0	0	0	0	117.2	I99	I99-S101 PolarHBondContact O-N 3.49Å
102	N	58.7	Low	48.9	Very low	100 Å²	100	95 Å²	95	54%	0.535	51%	0.511	S	S	.	.			trans	-110.7	115.2	158.5	-66.4	-72.4	0	0	0	109.9	I99 D100	I99-N102 HydrophobicContact CG2-CB 4.33Å; D100-N102 PolarHBondContact O-N 2.99Å
103	I	64.4	Low	50.5	Low	82 Å²	82	87.3 Å²	87.3	42%	0.421	48%	0.476	S	S	.	.			trans	-65.3	131.1	166.8	-59.8	173.4	0	0	0	108	I105 E112 M114	I103-I105 HydrophobicContact CG2-CG1 4.01Å; I103-E112 HydrophobicContact CG2-CB 3.66Å; I103-E112 HydrophobicContact CG2-CG 4.02Å; I103-M114 HydrophobicContact CG1-CE 4.47Å; I103-M114 HydrophobicContact CG1-CG 4.42Å
104	L	64.5	Low	52.3	Low	20 Å²	20	86.6 Å²	86.6	11%	0.105	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.6	176.2	-49.4	178.4	0	0	0	107.7	E112 T113 F116 F119 M369	L104-E112 WeakPolarHBondContact O-CA 3.46Å; L104-T113 HydrophobicContact CB-CG2 4.29Å; L104-T113 WeakPolarHBondContact CB-O 3.39Å; L104-T113 PolarHBondContact N-O 3.43Å; L104-T113 PolarHBondContact O-N 3.06Å; L104-F116 HydrophobicContact CD1-CB 4.03Å; L104-F116 HydrophobicContact CD1-CD2 3.86Å; L104-F116 HydrophobicContact CD1-CG 4.39Å; L104-F119 HydrophobicContact CB-CB 4.18Å; L104-F119 HydrophobicContact CB-CD2 3.58Å; L104-F119 HydrophobicContact CB-CE2 4.07Å; L104-F119 HydrophobicContact CB-CG 3.84Å; L104-F119 HydrophobicContact CD1-CB 3.7Å; L104-F119 HydrophobicContact CD1-CD1 4.42Å; L104-F119 HydrophobicContact CD1-CG 4Å; L104-M369 HydrophobicContact CD2-CE 3.97Å
105	I	62.9	Low	54	Low	78 Å²	78	82.9 Å²	82.9	40%	0.4	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.3	-173.1	-50.9	177.2	0	0	0	108.9	I103 S107 E112	I103-I105 HydrophobicContact CG2-CG1 4.01Å; I105-S107 PolarHBondContact O-N 3.28Å; I105-E112 VanDerWaalsContact CD1-OE1 3.23Å; I105-E112 WeakPolarHBondContact CD1-OE1 3.37Å; I105-E112 HydrophobicContact CG1-CG 4.09Å; I105-E112 WeakPolarHBondContact CG1-OE1 3.39Å; I105-E112 HydrophobicContact CG2-CG 4.34Å
106	C	66.5	Low	55.6	Low	1 Å²	1	79.2 Å²	79.2	1%	0.007	43%	0.426	C	S	.	.			trans	-63.6	130.9	171.5	178.5	0	0	0	0	110.9	I108 C109 H110 M111 H122 M123	C106-I108 VanDerWaalsContact C-N 3.3Å; C106-I108 PolarHBondContact SG-N 2.83Å; C106-C109 PolarHBondContact SG-N 3Å; C106-H110 WeakPolarHBondContact O-CA 3.46Å; C106-H110 PolarHBondContact O-N 3.02Å; C106-H110 VanDerWaalsContact O-N 3.15Å; C106-H110 PolarHBondContact O-ND1 3.45Å; C106-M111 HydrophobicContact CB-CB 4.08Å; C106-M111 PolarHBondContact N-O 3.01Å; C106-H122 VanDerWaalsContact CB-NE2 3.3Å; C106-H122 WeakPolarHBondContact CB-NE2 3.41Å; C106-H122 PolarHBondContact SG-NE2 3.26Å; C106-M123 HydrophobicContact CB-CE 3.93Å; C106-M123 WeakPolarHBondContact SG-CE 3.38Å
107	S	60.3	Low	56.9	Low	43 Å²	43	75 Å²	75	30%	0.301	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	0.9	175.9	29.7	0	0	0	0	114	I105 S362	I105-S107 PolarHBondContact O-N 3.28Å; S107-S362 WeakPolarHBondContact CB-OG 3.45Å; S107-S362 PolarHBondContact O-OG 3.24Å; S107-S362 WeakPolarHBondContact OG-CB 3.36Å; S107-S362 PolarHBondContact OG-OG 3.47Å
108	I	61.5	Low	58.5	Low	65 Å²	65	72.8 Å²	72.8	33%	0.333	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-46	-178.5	-54.9	172.5	0	0	0	111.3	C106 H126 S362	C106-I108 VanDerWaalsContact C-N 3.3Å; C106-I108 PolarHBondContact SG-N 2.83Å; I108-H126 HydrophobicContact CD1-CB 3.55Å; I108-S362 VanDerWaalsContact CG1-OG 3.24Å; I108-S362 WeakPolarHBondContact CG1-OG 3.26Å
109	C	69.9	Low	60.2	Low	28 Å²	28	68.9 Å²	68.9	19%	0.189	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	13.2	-177.8	74.4	0	0	0	0	114.2	C106 M111 H122 H126	C106-C109 PolarHBondContact SG-N 3Å; C109-M111 PolarHBondContact O-N 3.19Å; C109-H122 PolarHBondContact SG-CE1 2.91Å; C109-H126 PolarHBondContact SG-NE2 3.36Å
110	H	68.2	Low	61.3	Low	121 Å²	121	64 Å²	64	56%	0.56	34%	0.342	S	S	*	.			trans	60.3	4.5	175.6	-57	-43.6	0	0	0	118.2	C106 E112	C106-H110 WeakPolarHBondContact O-CA 3.46Å; C106-H110 PolarHBondContact O-N 3.02Å; C106-H110 VanDerWaalsContact O-N 3.15Å; C106-H110 PolarHBondContact O-ND1 3.45Å; H110-E112 PolarHBondContact O-N 3.09Å; H110-E112 VanDerWaalsContact O-N 3.09Å
111	M	68	Low	62.5	Low	20 Å²	20	62 Å²	62	10%	0.099	33%	0.329	C	S	.	.			trans	-46.1	118.7	169.4	-172.7	-148.6	75.1	0	0	111.6	C106 C109 T113 F119 H122 V520	C106-M111 HydrophobicContact CB-CB 4.08Å; C106-M111 PolarHBondContact N-O 3.01Å; C109-M111 PolarHBondContact O-N 3.19Å; M111-T113 HydrophobicContact CE-CG2 3.63Å; M111-F119 HydrophobicContact CE-CD2 4.49Å; M111-H122 HydrophobicContact CE-CB 3.81Å; M111-H122 VanDerWaalsContact CE-CD2 3.46Å; M111-H122 WeakPolarHBondContact CE-CD2 3.36Å; M111-H122 HydrophobicContact SD-CB 3.89Å; M111-V520 HydrophobicContact CB-CG1 4.39Å; M111-V520 HydrophobicContact CG-CG1 3.81Å; M111-V520 HydrophobicContact CG-CG2 4.01Å; M111-V520 HydrophobicContact SD-CG1 4.15Å; M111-V520 HydrophobicContact SD-CG2 3.9Å
112	E	70.9	Confident	64	Low	116 Å²	116	57.2 Å²	57.2	54%	0.542	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.3	175.5	-62.9	-150	147.3	0	0	110.8	I103 L104 I105 H110	I103-E112 HydrophobicContact CG2-CB 3.66Å; I103-E112 HydrophobicContact CG2-CG 4.02Å; L104-E112 WeakPolarHBondContact O-CA 3.46Å; I105-E112 VanDerWaalsContact CD1-OE1 3.23Å; I105-E112 WeakPolarHBondContact CD1-OE1 3.37Å; I105-E112 HydrophobicContact CG1-CG 4.09Å; I105-E112 WeakPolarHBondContact CG1-OE1 3.39Å; I105-E112 HydrophobicContact CG2-CG 4.34Å; H110-E112 PolarHBondContact O-N 3.09Å; H110-E112 VanDerWaalsContact O-N 3.09Å
113	T	61.7	Low	64.3	Low	22 Å²	22	52.7 Å²	52.7	14%	0.135	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.7	169.5	-174.5	0	0	0	0	112.1	L104 M111 N115 I118 F119	L104-T113 HydrophobicContact CB-CG2 4.29Å; L104-T113 WeakPolarHBondContact CB-O 3.39Å; L104-T113 PolarHBondContact N-O 3.43Å; L104-T113 PolarHBondContact O-N 3.06Å; M111-T113 HydrophobicContact CE-CG2 3.63Å; T113-N115 WeakPolarHBondContact CG2-O 3.47Å; T113-N115 PolarHBondContact OG1-N 3.08Å; T113-N115 VanDerWaalsContact OG1-N 3.17Å; T113-I118 HydrophobicContact CG2-CB 4.44Å; T113-I118 HydrophobicContact CG2-CG2 4.33Å; T113-F119 HydrophobicContact CG2-CB 3.72Å; T113-F119 HydrophobicContact CG2-CD2 4.23Å; T113-F119 HydrophobicContact CG2-CG 4.48Å
114	M	67	Low	64.2	Low	161 Å²	161	49 Å²	49	79%	0.793	25%	0.25	S	C	*	.	S	Bend	trans	-90.2	-6.5	171.9	-54.9	-173.2	-160.5	0	0	112.3	I103	I103-M114 HydrophobicContact CG1-CE 4.47Å; I103-M114 HydrophobicContact CG1-CG 4.42Å
115	N	64.3	Low	64.1	Low	72 Å²	72	51.7 Å²	51.7	39%	0.385	26%	0.264	S	S	.	.			trans	-103.4	116	-177.1	-175.5	-14	0	0	0	110.9	T113 N117 I118 F119	T113-N115 WeakPolarHBondContact CG2-O 3.47Å; T113-N115 PolarHBondContact OG1-N 3.08Å; T113-N115 VanDerWaalsContact OG1-N 3.17Å; N115-N117 VanDerWaalsContact C-N 3.28Å; N115-N117 PolarHBondContact O-N 3.04Å; N115-N117 PolarHBondContact OD1-N 3.39Å; N115-I118 HydrophobicContact CB-CB 4.16Å; N115-I118 HydrophobicContact CB-CD1 3.9Å; N115-I118 HydrophobicContact CB-CG1 4Å; N115-I118 PolarHBondContact O-N 2.84Å; N115-F119 PolarHBondContact O-N 2.96Å
116	F	60.9	Low	64.3	Low	34 Å²	34	49.5 Å²	49.5	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-32.2	180	-172.4	-93.3	0	0	0	113.5	I99 L104 F119 V120 I164 M369 L370	I99-F116 HydrophobicContact CD1-CD2 4.45Å; L104-F116 HydrophobicContact CD1-CB 4.03Å; L104-F116 HydrophobicContact CD1-CD2 3.86Å; L104-F116 HydrophobicContact CD1-CG 4.39Å; F116-F119 PolarHBondContact O-N 3.13Å; F116-V120 HydrophobicContact CD1-CG2 3.86Å; F116-V120 HydrophobicContact CE1-CG2 3.39Å; F116-V120 HydrophobicContact CZ-CG2 3.79Å; F116-V120 WeakPolarHBondContact O-CG2 3.47Å; F116-V120 PolarHBondContact O-N 3.26Å; F116-I164 HydrophobicContact CE1-CD1 3.99Å; F116-I164 HydrophobicContact CE1-CG1 3.94Å; F116-M369 HydrophobicContact CE2-CE 4.12Å; F116-L370 HydrophobicContact CZ-CD2 4.48Å
117	N	57.8	Low	64	Low	77 Å²	77	50.3 Å²	50.3	41%	0.412	26%	0.256	S	S	.	.	H	α-helix	trans	-70.3	-43.2	179.5	-65	-11.3	0	0	0	111	N115 F119 V120 Q121	N115-N117 VanDerWaalsContact C-N 3.28Å; N115-N117 PolarHBondContact O-N 3.04Å; N115-N117 PolarHBondContact OD1-N 3.39Å; N117-F119 VanDerWaalsContact C-N 3.3Å; N117-F119 PolarHBondContact O-N 2.9Å; N117-V120 PolarHBondContact O-N 3.13Å; N117-Q121 WeakPolarHBondContact O-CG 3.35Å; N117-Q121 PolarHBondContact O-N 3Å; N117-Q121 PolarHBondContact O-OE1 3.32Å
118	I	62	Low	64	Low	64 Å²	64	52.8 Å²	52.8	33%	0.328	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-42.7	172.8	-63.2	178.6	0	0	0	109.8	T113 N115 V120 Q121 H122	T113-I118 HydrophobicContact CG2-CB 4.44Å; T113-I118 HydrophobicContact CG2-CG2 4.33Å; N115-I118 HydrophobicContact CB-CB 4.16Å; N115-I118 HydrophobicContact CB-CD1 3.9Å; N115-I118 HydrophobicContact CB-CG1 4Å; N115-I118 PolarHBondContact O-N 2.84Å; I118-V120 PolarHBondContact O-N 2.98Å; I118-Q121 PolarHBondContact O-N 2.85Å; I118-H122 WeakPolarHBondContact O-CB 3.18Å; I118-H122 PolarHBondContact O-N 3.27Å
119	F	65.4	Low	63.7	Low	2 Å²	2	55.3 Å²	55.3	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-41.3	175.8	-172.4	-99.2	0	0	0	112.8	L104 M111 T113 N115 F116 N117 M123 F366 M369	L104-F119 HydrophobicContact CB-CB 4.18Å; L104-F119 HydrophobicContact CB-CD2 3.58Å; L104-F119 HydrophobicContact CB-CE2 4.07Å; L104-F119 HydrophobicContact CB-CG 3.84Å; L104-F119 HydrophobicContact CD1-CB 3.7Å; L104-F119 HydrophobicContact CD1-CD1 4.42Å; L104-F119 HydrophobicContact CD1-CG 4Å; M111-F119 HydrophobicContact CE-CD2 4.49Å; T113-F119 HydrophobicContact CG2-CB 3.72Å; T113-F119 HydrophobicContact CG2-CD2 4.23Å; T113-F119 HydrophobicContact CG2-CG 4.48Å; N115-F119 PolarHBondContact O-N 2.96Å; F116-F119 PolarHBondContact O-N 3.13Å; N117-F119 VanDerWaalsContact C-N 3.3Å; N117-F119 PolarHBondContact O-N 2.9Å; F119-M123 HydrophobicContact CD1-CG 3.95Å; F119-M123 HydrophobicContact CE1-CG 3.59Å; F119-M123 HydrophobicContact CE1-SD 4.15Å; F119-M123 HydrophobicContact CE2-CE 4.38Å; F119-M123 HydrophobicContact CE2-CG 4.24Å; F119-M123 HydrophobicContact CE2-SD 4.44Å; F119-M123 HydrophobicContact CG-CG 4.41Å; F119-M123 HydrophobicContact CZ-CE 4.33Å; F119-M123 HydrophobicContact CZ-CG 3.76Å; F119-M123 HydrophobicContact CZ-SD 3.84Å; F119-M123 VanDerWaalsContact O-CB 3.31Å; F119-M123 WeakPolarHBondContact O-CB 3.23Å; F119-M123 WeakPolarHBondContact O-CG 3.37Å; F119-M123 PolarHBondContact O-N 2.91Å; F119-F366 HydrophobicContact CE1-CD2 4.22Å; F119-M369 HydrophobicContact CD1-CE 3.71Å; F119-M369 HydrophobicContact CE1-CE 3.33Å; F119-M369 HydrophobicContact CE1-SD 3.73Å; F119-M369 HydrophobicContact CZ-CE 4Å; F119-M369 HydrophobicContact CZ-SD 4.11Å
120	V	60.8	Low	63.3	Low	3 Å²	3	55.1 Å²	55.1	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-43.3	177.2	171.2	0	0	0	0	111.9	F116 N117 I118 M123 S124 I164 F366 L370	F116-V120 HydrophobicContact CD1-CG2 3.86Å; F116-V120 HydrophobicContact CE1-CG2 3.39Å; F116-V120 HydrophobicContact CZ-CG2 3.79Å; F116-V120 WeakPolarHBondContact O-CG2 3.47Å; F116-V120 PolarHBondContact O-N 3.26Å; N117-V120 PolarHBondContact O-N 3.13Å; I118-V120 PolarHBondContact O-N 2.98Å; V120-M123 PolarHBondContact O-N 3.04Å; V120-S124 PolarHBondContact O-N 3.37Å; V120-I164 HydrophobicContact CG1-CD1 4.16Å; V120-I164 HydrophobicContact CG2-CD1 4.03Å; V120-F366 HydrophobicContact CB-CE2 4.44Å; V120-F366 HydrophobicContact CG1-CE2 4.49Å; V120-F366 HydrophobicContact CG1-CZ 4.25Å; V120-F366 HydrophobicContact CG2-CE2 4.14Å; V120-L370 HydrophobicContact CG2-CD2 4.01Å
121	Q	60.1	Low	62.6	Low	74 Å²	74	56.8 Å²	56.8	35%	0.346	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-49.3	174.8	-71.3	168.3	-53.7	0	0	110.5	N117 I118 M123 S124 L125	N117-Q121 WeakPolarHBondContact O-CG 3.35Å; N117-Q121 PolarHBondContact O-N 3Å; N117-Q121 PolarHBondContact O-OE1 3.32Å; I118-Q121 PolarHBondContact O-N 2.85Å; Q121-M123 PolarHBondContact O-N 3.1Å; Q121-S124 WeakPolarHBondContact O-CB 3.45Å; Q121-S124 PolarHBondContact O-N 2.91Å; Q121-S124 PolarHBondContact O-OG 3.03Å; Q121-L125 PolarHBondContact O-N 3.03Å; Q121-L125 VanDerWaalsContact O-N 3.17Å
122	H	68.8	Low	62.2	Low	18 Å²	18	56.3 Å²	56.3	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-46.4	177.2	170.6	64.9	0	0	0	113.1	C106 C109 M111 I118 S124 L125 H126	C106-H122 VanDerWaalsContact CB-NE2 3.3Å; C106-H122 WeakPolarHBondContact CB-NE2 3.41Å; C106-H122 PolarHBondContact SG-NE2 3.26Å; C109-H122 PolarHBondContact SG-CE1 2.91Å; M111-H122 HydrophobicContact CE-CB 3.81Å; M111-H122 VanDerWaalsContact CE-CD2 3.46Å; M111-H122 WeakPolarHBondContact CE-CD2 3.36Å; M111-H122 HydrophobicContact SD-CB 3.89Å; I118-H122 WeakPolarHBondContact O-CB 3.18Å; I118-H122 PolarHBondContact O-N 3.27Å; H122-S124 PolarHBondContact O-N 3.08Å; H122-L125 WeakPolarHBondContact O-CB 3.45Å; H122-L125 PolarHBondContact O-N 3.27Å; H122-L125 VanDerWaalsContact O-N 3.17Å; H122-H126 AromaticContact CE1-CD2 3.52Å; H122-H126 AromaticContact CE1-NE2 3.26Å; H122-H126 PolarHBondContact CE1-NE2 2.9Å; H122-H126 VanDerWaalsContact CE1-NE2 3.26Å; H122-H126 AromaticContact NE2-CD2 3.45Å; H122-H126 PolarHBondContact NE2-CD2 3.24Å; H122-H126 AromaticContact NE2-NE2 3.45Å; H122-H126 PolarHBondContact NE2-NE2 2.91Å; H122-H126 PolarHBondContact O-N 3.34Å
123	M	64.8	Low	61.7	Low	5 Å²	5	52.5 Å²	52.5	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-31.2	174.5	-72.4	-78.6	100.6	0	0	112.6	C106 F119 V120 Q121 H126 L127 F366	C106-M123 HydrophobicContact CB-CE 3.93Å; C106-M123 WeakPolarHBondContact SG-CE 3.38Å; F119-M123 HydrophobicContact CD1-CG 3.95Å; F119-M123 HydrophobicContact CE1-CG 3.59Å; F119-M123 HydrophobicContact CE1-SD 4.15Å; F119-M123 HydrophobicContact CE2-CE 4.38Å; F119-M123 HydrophobicContact CE2-CG 4.24Å; F119-M123 HydrophobicContact CE2-SD 4.44Å; F119-M123 HydrophobicContact CG-CG 4.41Å; F119-M123 HydrophobicContact CZ-CE 4.33Å; F119-M123 HydrophobicContact CZ-CG 3.76Å; F119-M123 HydrophobicContact CZ-SD 3.84Å; F119-M123 VanDerWaalsContact O-CB 3.31Å; F119-M123 WeakPolarHBondContact O-CB 3.23Å; F119-M123 WeakPolarHBondContact O-CG 3.37Å; F119-M123 PolarHBondContact O-N 2.91Å; V120-M123 PolarHBondContact O-N 3.04Å; Q121-M123 PolarHBondContact O-N 3.1Å; M123-H126 PolarHBondContact O-N 3.33Å; M123-L127 PolarHBondContact O-N 2.65Å; M123-F366 HydrophobicContact CB-CD1 4.14Å; M123-F366 HydrophobicContact CB-CD2 3.44Å; M123-F366 VanDerWaalsContact CB-CD2 3.44Å; M123-F366 HydrophobicContact CB-CE1 4.03Å; M123-F366 HydrophobicContact CB-CE2 3.32Å; M123-F366 HydrophobicContact CB-CG 3.84Å; M123-F366 HydrophobicContact CB-CZ 3.6Å; M123-F366 HydrophobicContact CG-CB 4.46Å; M123-F366 HydrophobicContact CG-CD2 3.43Å; M123-F366 VanDerWaalsContact CG-CD2 3.43Å; M123-F366 HydrophobicContact CG-CE2 3.72Å; M123-F366 HydrophobicContact CG-CG 4.01Å; M123-F366 HydrophobicContact CG-CZ 4.47Å; M123-F366 HydrophobicContact SD-CB 4.01Å; M123-F366 HydrophobicContact SD-CD2 4.09Å; M123-F366 HydrophobicContact SD-CG 4.17Å
124	S	62.3	Low	61.6	Low	4 Å²	4	56.3 Å²	56.3	3%	0.028	29%	0.285	C	S	.	.	H	α-helix	trans	-69.2	-32.6	175.1	82.1	0	0	0	0	113.3	V120 Q121 H122 L127 N128	V120-S124 PolarHBondContact O-N 3.37Å; Q121-S124 WeakPolarHBondContact O-CB 3.45Å; Q121-S124 PolarHBondContact O-N 2.91Å; Q121-S124 PolarHBondContact O-OG 3.03Å; H122-S124 PolarHBondContact O-N 3.08Å; S124-L127 PolarHBondContact O-N 3.06Å; S124-N128 WeakPolarHBondContact O-CB 3.43Å; S124-N128 PolarHBondContact O-N 3.43Å; S124-N128 PolarHBondContact O-ND2 2.96Å; S124-N128 PolarHBondContact O-OD1 2.96Å
125	L	62.9	Low	61.2	Low	77 Å²	77	53.6 Å²	53.6	40%	0.403	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-48.5	171.8	-62.6	174.8	0	0	0	110.3	Q121 H122 L127 N128 Q129	Q121-L125 PolarHBondContact O-N 3.03Å; Q121-L125 VanDerWaalsContact O-N 3.17Å; H122-L125 WeakPolarHBondContact O-CB 3.45Å; H122-L125 PolarHBondContact O-N 3.27Å; H122-L125 VanDerWaalsContact O-N 3.17Å; L125-L127 VanDerWaalsContact C-N 3.32Å; L125-L127 PolarHBondContact O-N 2.93Å; L125-N128 PolarHBondContact O-N 3.05Å; L125-Q129 VanDerWaalsContact O-CB 3.31Å; L125-Q129 WeakPolarHBondContact O-CB 3.34Å; L125-Q129 VanDerWaalsContact O-CG 3.25Å; L125-Q129 WeakPolarHBondContact O-CG 3.21Å; L125-Q129 PolarHBondContact O-N 3.22Å
126	H	65.8	Low	61	Low	33 Å²	33	50.4 Å²	50.4	15%	0.153	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-33	177.1	-77.7	-46.5	0	0	0	113.8	I108 C109 H122 M123 S130	I108-H126 HydrophobicContact CD1-CB 3.55Å; C109-H126 PolarHBondContact SG-NE2 3.36Å; H122-H126 AromaticContact CE1-CD2 3.52Å; H122-H126 AromaticContact CE1-NE2 3.26Å; H122-H126 PolarHBondContact CE1-NE2 2.9Å; H122-H126 VanDerWaalsContact CE1-NE2 3.26Å; H122-H126 AromaticContact NE2-CD2 3.45Å; H122-H126 PolarHBondContact NE2-CD2 3.24Å; H122-H126 AromaticContact NE2-NE2 3.45Å; H122-H126 PolarHBondContact NE2-NE2 2.91Å; H122-H126 PolarHBondContact O-N 3.34Å; M123-H126 PolarHBondContact O-N 3.33Å; H126-S130 WeakPolarHBondContact O-CB 3.34Å; H126-S130 PolarHBondContact O-N 3.28Å
127	L	61.3	Low	61.2	Low	17 Å²	17	48.9 Å²	48.9	9%	0.089	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-49.1	172	-78.1	171.6	0	0	0	111.7	M123 S124 L125 Q129 S130 F174 M178 I363 F366	M123-L127 PolarHBondContact O-N 2.65Å; S124-L127 PolarHBondContact O-N 3.06Å; L125-L127 VanDerWaalsContact C-N 3.32Å; L125-L127 PolarHBondContact O-N 2.93Å; L127-Q129 VanDerWaalsContact C-N 3.27Å; L127-Q129 PolarHBondContact O-N 3.01Å; L127-S130 WeakPolarHBondContact O-CB 3.12Å; L127-S130 PolarHBondContact O-N 3.29Å; L127-S130 VanDerWaalsContact O-N 3.11Å; L127-S130 PolarHBondContact O-OG 2.82Å; L127-F174 HydrophobicContact CD1-CZ 4.29Å; L127-F174 HydrophobicContact CD2-CZ 3.96Å; L127-M178 HydrophobicContact CB-CE 4.14Å; L127-M178 HydrophobicContact CB-SD 4.48Å; L127-M178 HydrophobicContact CD1-CE 4.4Å; L127-M178 HydrophobicContact CD1-SD 3.82Å; L127-I363 HydrophobicContact CD2-CD1 3.93Å; L127-I363 HydrophobicContact CD2-CG1 3.71Å; L127-I363 HydrophobicContact CD2-CG2 4.45Å; L127-F366 HydrophobicContact CD1-CD1 3.74Å; L127-F366 HydrophobicContact CD1-CE1 3.49Å; L127-F366 VanDerWaalsContact CD1-CE1 3.49Å
128	N	58.9	Low	61.5	Low	96 Å²	96	47.3 Å²	47.3	51%	0.513	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-32	179.3	-64.9	-16.7	0	0	0	112.4	S124 L125 M178	S124-N128 WeakPolarHBondContact O-CB 3.43Å; S124-N128 PolarHBondContact O-N 3.43Å; S124-N128 PolarHBondContact O-ND2 2.96Å; S124-N128 PolarHBondContact O-OD1 2.96Å; L125-N128 PolarHBondContact O-N 3.05Å; N128-M178 WeakPolarHBondContact OD1-CE 3.23Å
129	Q	56.8	Low	61.6	Low	117 Å²	117	46.7 Å²	46.7	55%	0.547	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.2	175.6	-69.8	172.9	-12.1	0	0	113.7	L125 L127 K131	L125-Q129 VanDerWaalsContact O-CB 3.31Å; L125-Q129 WeakPolarHBondContact O-CB 3.34Å; L125-Q129 VanDerWaalsContact O-CG 3.25Å; L125-Q129 WeakPolarHBondContact O-CG 3.21Å; L125-Q129 PolarHBondContact O-N 3.22Å; L127-Q129 VanDerWaalsContact C-N 3.27Å; L127-Q129 PolarHBondContact O-N 3.01Å; Q129-K131 PolarHBondContact O-N 3.5Å
130	S	60	Low	61.7	Low	25 Å²	25	46.6 Å²	46.6	18%	0.175	23%	0.233	C	C	.	.			trans	-70.5	129.5	-174.7	70.4	0	0	0	0	111.5	H126 L127 L132	H126-S130 WeakPolarHBondContact O-CB 3.34Å; H126-S130 PolarHBondContact O-N 3.28Å; L127-S130 WeakPolarHBondContact O-CB 3.12Å; L127-S130 PolarHBondContact O-N 3.29Å; L127-S130 VanDerWaalsContact O-N 3.11Å; L127-S130 PolarHBondContact O-OG 2.82Å; S130-L132 PolarHBondContact O-N 3.12Å
131	K	55.1	Low	61.8	Low	155 Å²	155	46.5 Å²	46.5	67%	0.674	23%	0.233	S	C	*	.			trans	-76.1	25.6	166.9	-64.6	-167.5	175.4	-166.6	0	112.3	Q129 Y356	Q129-K131 PolarHBondContact O-N 3.5Å; K131-Y356 PolarHBondContact O-OH 3.27Å
132	L	58.3	Low	62.1	Low	11 Å²	11	46.5 Å²	46.5	6%	0.058	24%	0.235	C	C	.	.			trans	-83	123.7	177.3	-142.6	97.5	0	0	0	107.9	S130 N134 L136 L137 Y356 Q359 L360 I363	S130-L132 PolarHBondContact O-N 3.12Å; L132-N134 PolarHBondContact O-N 2.98Å; L132-L136 HydrophobicContact CD1-CD2 4.17Å; L132-L136 HydrophobicContact CD2-CB 4.34Å; L132-L136 HydrophobicContact CD2-CD2 4.15Å; L132-L136 HydrophobicContact CD2-CG 4.13Å; L132-L136 HydrophobicContact CG-CD2 4.01Å; L132-L136 HydrophobicContact CG-CG 4.46Å; L132-L137 HydrophobicContact CB-CD1 4.3Å; L132-L137 HydrophobicContact CD2-CB 4.38Å; L132-L137 HydrophobicContact CD2-CD1 3.79Å; L132-L137 HydrophobicContact CD2-CG 3.68Å; L132-Y356 HydrophobicContact CD1-CD1 3.87Å; L132-Y356 HydrophobicContact CD1-CE1 4.19Å; L132-Q359 HydrophobicContact CD1-CB 4.37Å; L132-L360 HydrophobicContact CD2-CD1 4.28Å; L132-I363 HydrophobicContact CD2-CD1 3.98Å
133	S	59.9	Low	62	Low	36 Å²	36	47 Å²	47	25%	0.252	24%	0.238	S	C	.	.			trans	-63.8	140	-179.9	68.4	0	0	0	0	110.4	Q135 L136 L137 Y392	S133-Q135 PolarHBondContact O-N 3.2Å; S133-L136 PolarHBondContact O-N 2.93Å; S133-L136 WeakPolarHBondContact OG-CB 3.39Å; S133-L136 PolarHBondContact OG-N 3.28Å; S133-L137 PolarHBondContact O-N 3.11Å; S133-L137 VanDerWaalsContact O-N 3.12Å; S133-Y392 WeakPolarHBondContact CB-OH 3.5Å; S133-Y392 PolarHBondContact OG-OH 2.86Å
134	N	60.1	Low	61.9	Low	101 Å²	101	46.9 Å²	46.9	54%	0.54	24%	0.237	S	C	.	.	H	α-helix	trans	-54.9	-26.4	173.1	-75.2	-42.9	0	0	0	111.9	L132 N138	L132-N134 PolarHBondContact O-N 2.98Å; N134-N138 VanDerWaalsContact O-CB 3.26Å; N134-N138 WeakPolarHBondContact O-CB 3.04Å; N134-N138 PolarHBondContact O-N 3.39Å; N134-N138 PolarHBondContact O-ND2 3.25Å
135	Q	58.6	Low	61.9	Low	105 Å²	105	47.3 Å²	47.3	49%	0.491	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-50.8	171.3	-66.5	173.1	-34.2	0	0	112.6	S133 L137 N138 E139 Y392	S133-Q135 PolarHBondContact O-N 3.2Å; Q135-L137 VanDerWaalsContact C-N 3.29Å; Q135-L137 PolarHBondContact O-N 3.04Å; Q135-N138 PolarHBondContact O-N 3.45Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 2.9Å; Q135-Y392 HydrophobicContact CB-CE2 3.75Å; Q135-Y392 PolarHBondContact OE1-OH 3.22Å
136	L	61.3	Low	62.1	Low	4 Å²	4	49.2 Å²	49.2	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-36.8	179.6	-177.9	57.9	0	0	0	111.2	L132 S133 F140 I388 L389 Y392	L132-L136 HydrophobicContact CD1-CD2 4.17Å; L132-L136 HydrophobicContact CD2-CB 4.34Å; L132-L136 HydrophobicContact CD2-CD2 4.15Å; L132-L136 HydrophobicContact CD2-CG 4.13Å; L132-L136 HydrophobicContact CG-CD2 4.01Å; L132-L136 HydrophobicContact CG-CG 4.46Å; S133-L136 PolarHBondContact O-N 2.93Å; S133-L136 WeakPolarHBondContact OG-CB 3.39Å; S133-L136 PolarHBondContact OG-N 3.28Å; L136-F140 WeakPolarHBondContact O-CB 3.17Å; L136-F140 PolarHBondContact O-N 2.97Å; L136-I388 HydrophobicContact CD1-CG2 4.4Å; L136-L389 HydrophobicContact CD2-CD1 4.05Å; L136-Y392 HydrophobicContact CB-CD1 4.26Å; L136-Y392 HydrophobicContact CB-CE1 4.3Å; L136-Y392 HydrophobicContact CB-CG 4.39Å; L136-Y392 HydrophobicContact CD1-CD1 4.22Å; L136-Y392 HydrophobicContact CD1-CG 4Å; L136-Y392 HydrophobicContact CD2-CD1 4.34Å
137	L	64.8	Low	62	Low	2 Å²	2	50.9 Å²	50.9	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-68.3	-38.9	174.4	-109.5	155.1	0	0	0	113.2	L132 S133 Q135 F140 I141 F174 I363	L132-L137 HydrophobicContact CB-CD1 4.3Å; L132-L137 HydrophobicContact CD2-CB 4.38Å; L132-L137 HydrophobicContact CD2-CD1 3.79Å; L132-L137 HydrophobicContact CD2-CG 3.68Å; S133-L137 PolarHBondContact O-N 3.11Å; S133-L137 VanDerWaalsContact O-N 3.12Å; Q135-L137 VanDerWaalsContact C-N 3.29Å; Q135-L137 PolarHBondContact O-N 3.04Å; L137-F140 WeakPolarHBondContact O-CB 3.39Å; L137-F140 PolarHBondContact O-N 3.39Å; L137-I141 PolarHBondContact O-N 3.09Å; L137-F174 HydrophobicContact CB-CB 4.43Å; L137-F174 HydrophobicContact CB-CD1 3.95Å; L137-F174 HydrophobicContact CB-CE1 4.48Å; L137-F174 HydrophobicContact CB-CG 4.22Å; L137-F174 HydrophobicContact CD1-CD1 3.8Å; L137-F174 HydrophobicContact CD1-CE1 3.47Å; L137-F174 VanDerWaalsContact CD1-CE1 3.47Å; L137-F174 HydrophobicContact CD1-CZ 4.02Å; L137-F174 HydrophobicContact CD2-CD1 3.85Å; L137-F174 HydrophobicContact CD2-CD2 3.82Å; L137-F174 HydrophobicContact CD2-CE1 3.83Å; L137-F174 HydrophobicContact CD2-CE2 3.79Å; L137-F174 HydrophobicContact CD2-CG 3.84Å; L137-F174 HydrophobicContact CD2-CZ 3.78Å; L137-F174 HydrophobicContact CG-CD1 4.04Å; L137-F174 HydrophobicContact CG-CE1 4.09Å; L137-F174 HydrophobicContact CG-CG 4.42Å; L137-F174 HydrophobicContact CG-CZ 4.48Å; L137-I363 HydrophobicContact CD1-CD1 4.22Å; L137-I363 HydrophobicContact CD2-CG2 3.87Å
138	N	63.4	Low	61.9	Low	44 Å²	44	50.3 Å²	50.3	24%	0.235	25%	0.25	C	C	.	.	H	α-helix	trans	-67.4	-46.3	173.7	-76.9	-20.2	0	0	0	112	N134 Q135 F140 I141 L142 F174	N134-N138 VanDerWaalsContact O-CB 3.26Å; N134-N138 WeakPolarHBondContact O-CB 3.04Å; N134-N138 PolarHBondContact O-N 3.39Å; N134-N138 PolarHBondContact O-ND2 3.25Å; Q135-N138 PolarHBondContact O-N 3.45Å; N138-F140 PolarHBondContact O-N 3.28Å; N138-I141 PolarHBondContact O-N 3.46Å; N138-I141 VanDerWaalsContact O-N 3.11Å; N138-L142 WeakPolarHBondContact O-CG 3.47Å; N138-L142 PolarHBondContact O-N 3.1Å; N138-F174 WeakPolarHBondContact OD1-CB 3.47Å; N138-F174 PolarHBondContact OD1-N 2.61Å
139	E	64.7	Low	61.8	Low	52 Å²	52	51 Å²	51	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-55.1	-40.6	171.2	-87.5	-79	123.1	0	0	111.5	Q135 I141 L142 I143 K391	Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 2.9Å; E139-I141 PolarHBondContact O-N 3.45Å; E139-L142 PolarHBondContact O-N 3.24Å; E139-I143 WeakPolarHBondContact O-CG1 3.34Å; E139-I143 PolarHBondContact O-N 2.86Å; E139-I143 VanDerWaalsContact O-N 3.08Å; E139-K391 IonicContact OE1-NZ 3.4Å; E139-K391 PolarHBondContact OE1-NZ 3.37Å; E139-K391 IonicContact OE2-NZ 3.42Å; E139-K391 PolarHBondContact OE2-NZ 3.12Å
140	F	66.2	Low	61.9	Low	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-41.7	176.6	-157.2	-92.6	0	0	0	112.8	L136 L137 N138 I143 I144 L360 I364 W380 L383 I388	L136-F140 WeakPolarHBondContact O-CB 3.17Å; L136-F140 PolarHBondContact O-N 2.97Å; L137-F140 WeakPolarHBondContact O-CB 3.39Å; L137-F140 PolarHBondContact O-N 3.39Å; N138-F140 PolarHBondContact O-N 3.28Å; F140-I143 PolarHBondContact O-N 2.73Å; F140-I144 HydrophobicContact CD1-CD1 3.62Å; F140-I144 HydrophobicContact CD1-CG1 4.01Å; F140-I144 HydrophobicContact CE1-CD1 3.64Å; F140-I144 HydrophobicContact CE1-CG1 3.79Å; F140-I144 WeakPolarHBondContact O-CG1 3.49Å; F140-I144 PolarHBondContact O-N 2.93Å; F140-L360 HydrophobicContact CD2-CD1 3.72Å; F140-L360 HydrophobicContact CD2-CD2 4.22Å; F140-L360 HydrophobicContact CD2-CG 4.28Å; F140-L360 HydrophobicContact CE2-CD1 4.15Å; F140-L360 HydrophobicContact CE2-CD2 4.43Å; F140-L360 HydrophobicContact CE2-CG 4.35Å; F140-L360 HydrophobicContact CG-CD1 3.96Å; F140-I364 HydrophobicContact CD1-CG1 4.45Å; F140-I364 HydrophobicContact CE1-CD1 4.1Å; F140-I364 HydrophobicContact CE1-CG1 3.42Å; F140-I364 VanDerWaalsContact CE1-CG1 3.42Å; F140-I364 HydrophobicContact CE2-CD1 3.81Å; F140-I364 HydrophobicContact CE2-CG1 4.05Å; F140-I364 HydrophobicContact CZ-CD1 3.33Å; F140-I364 HydrophobicContact CZ-CG1 3.2Å; F140-W380 HydrophobicContact CE1-CZ3 4.13Å; F140-W380 HydrophobicContact CZ-CZ3 4.18Å; F140-L383 HydrophobicContact CE2-CD2 3.48Å; F140-L383 VanDerWaalsContact CE2-CD2 3.48Å; F140-L383 HydrophobicContact CZ-CD1 4.21Å; F140-L383 HydrophobicContact CZ-CD2 3.54Å; F140-I388 HydrophobicContact CD2-CD1 4.48Å; F140-I388 HydrophobicContact CE2-CD1 4.11Å
141	I	64.7	Low	61.6	Low	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.5	-37.2	177	-82	165	0	0	0	112.4	L137 N138 E139 I143 I144 N145 M171 F174	L137-I141 PolarHBondContact O-N 3.09Å; N138-I141 PolarHBondContact O-N 3.46Å; N138-I141 VanDerWaalsContact O-N 3.11Å; E139-I141 PolarHBondContact O-N 3.45Å; I141-I143 PolarHBondContact O-N 2.91Å; I141-I144 HydrophobicContact CG1-CD1 4.23Å; I141-I144 PolarHBondContact O-N 3.07Å; I141-N145 WeakPolarHBondContact O-CB 3.5Å; I141-N145 PolarHBondContact O-N 2.74Å; I141-N145 PolarHBondContact O-ND2 2.9Å; I141-M171 HydrophobicContact CD1-CE 3.63Å; I141-M171 HydrophobicContact CG1-CE 3.83Å; I141-M171 HydrophobicContact CG2-CB 4.4Å; I141-M171 HydrophobicContact CG2-CE 3.96Å; I141-M171 WeakPolarHBondContact CG2-O 3.35Å; I141-F174 HydrophobicContact CD1-CB 3.7Å; I141-F174 HydrophobicContact CD1-CD2 3.47Å; I141-F174 VanDerWaalsContact CD1-CD2 3.47Å; I141-F174 HydrophobicContact CD1-CE2 4.49Å; I141-F174 HydrophobicContact CD1-CG 3.98Å
142	L	65.9	Low	61.5	Low	75 Å²	75	47.6 Å²	47.6	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-57.1	-40.1	170.1	-69.6	173	0	0	0	111	N138 E139 Q146	N138-L142 WeakPolarHBondContact O-CG 3.47Å; N138-L142 PolarHBondContact O-N 3.1Å; E139-L142 PolarHBondContact O-N 3.24Å; L142-Q146 WeakPolarHBondContact O-CB 3.46Å; L142-Q146 WeakPolarHBondContact O-CG 3.47Å; L142-Q146 PolarHBondContact O-N 3.39Å
143	I	66.6	Low	61.1	Low	29 Å²	29	54.6 Å²	54.6	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-71.2	-38.8	176.5	-67.6	171	0	0	0	112.3	E139 F140 I141 K147 L383 I388	E139-I143 WeakPolarHBondContact O-CG1 3.34Å; E139-I143 PolarHBondContact O-N 2.86Å; E139-I143 VanDerWaalsContact O-N 3.08Å; F140-I143 PolarHBondContact O-N 2.73Å; I141-I143 PolarHBondContact O-N 2.91Å; I143-K147 HydrophobicContact CG2-CD 4.24Å; I143-K147 WeakPolarHBondContact O-CB 3.47Å; I143-K147 WeakPolarHBondContact O-CG 3.21Å; I143-K147 PolarHBondContact O-N 3.44Å; I143-L383 HydrophobicContact CG2-CD1 4.49Å; I143-I388 HydrophobicContact CD1-CB 4.49Å; I143-I388 HydrophobicContact CD1-CD1 3.65Å; I143-I388 HydrophobicContact CD1-CG1 3.62Å; I143-I388 HydrophobicContact CD1-CG2 4.08Å; I143-I388 HydrophobicContact CG2-CD1 4.26Å
144	I	62.9	Low	60.6	Low	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-54.2	171.2	-71.1	167.4	0	0	0	109.7	F140 I141 Q146 K147 I148 L367 L375 I378 W380	F140-I144 HydrophobicContact CD1-CD1 3.62Å; F140-I144 HydrophobicContact CD1-CG1 4.01Å; F140-I144 HydrophobicContact CE1-CD1 3.64Å; F140-I144 HydrophobicContact CE1-CG1 3.79Å; F140-I144 WeakPolarHBondContact O-CG1 3.49Å; F140-I144 PolarHBondContact O-N 2.93Å; I141-I144 HydrophobicContact CG1-CD1 4.23Å; I141-I144 PolarHBondContact O-N 3.07Å; I144-Q146 PolarHBondContact O-N 3.44Å; I144-K147 PolarHBondContact O-N 2.94Å; I144-K147 VanDerWaalsContact O-N 3.07Å; I144-I148 HydrophobicContact CG2-CD1 3.66Å; I144-I148 HydrophobicContact CG2-CG1 4.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.39Å; I144-I148 PolarHBondContact O-N 3.2Å; I144-L367 HydrophobicContact CD1-CD1 3.73Å; I144-L375 HydrophobicContact CG2-CD2 3.71Å; I144-I378 HydrophobicContact CG2-CD1 4.28Å; I144-W380 HydrophobicContact CD1-CH2 4.36Å; I144-W380 HydrophobicContact CG1-CH2 4.09Å; I144-W380 HydrophobicContact CG1-CZ3 4.45Å
145	N	62.2	Low	60	Low	14 Å²	14	60.3 Å²	60.3	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-56.7	-51.5	-179.1	-70	-14.5	0	0	0	110.6	I141 K147 I148 F149 M171	I141-N145 WeakPolarHBondContact O-CB 3.5Å; I141-N145 PolarHBondContact O-N 2.74Å; I141-N145 PolarHBondContact O-ND2 2.9Å; N145-K147 PolarHBondContact O-N 3.16Å; N145-I148 PolarHBondContact O-N 3.03Å; N145-I148 VanDerWaalsContact O-N 3.13Å; N145-F149 HydrophobicContact CB-CD2 4.26Å; N145-F149 HydrophobicContact CB-CE2 4.24Å; N145-F149 WeakPolarHBondContact O-CD2 3.3Å; N145-F149 PolarHBondContact O-N 3.11Å; N145-M171 PolarHBondContact ND2-O 3.47Å
146	Q	66	Low	59.4	Low	117 Å²	117	65.6 Å²	65.6	55%	0.547	32%	0.319	S	S	.	.	H	α-helix	trans	-55.9	-37.8	176.6	-76.1	176.1	19.1	0	0	112.6	L142 I144 N150	L142-Q146 WeakPolarHBondContact O-CB 3.46Å; L142-Q146 WeakPolarHBondContact O-CG 3.47Å; L142-Q146 PolarHBondContact O-N 3.39Å; I144-Q146 PolarHBondContact O-N 3.44Å; Q146-N150 VanDerWaalsContact O-CB 3.26Å; Q146-N150 WeakPolarHBondContact O-CB 3.27Å; Q146-N150 PolarHBondContact O-N 3.02Å; Q146-N150 PolarHBondContact O-ND2 2.82Å
147	K	64.8	Low	58.6	Low	67 Å²	67	72.9 Å²	72.9	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-73.2	-37.6	177.1	-74.1	-179.7	179.1	-177.3	0	112.6	I143 I144 N145 N151 I378 L383	I143-K147 HydrophobicContact CG2-CD 4.24Å; I143-K147 WeakPolarHBondContact O-CB 3.47Å; I143-K147 WeakPolarHBondContact O-CG 3.21Å; I143-K147 PolarHBondContact O-N 3.44Å; I144-K147 PolarHBondContact O-N 2.94Å; I144-K147 VanDerWaalsContact O-N 3.07Å; N145-K147 PolarHBondContact O-N 3.16Å; K147-N151 WeakPolarHBondContact O-CB 3.36Å; K147-N151 VanDerWaalsContact O-CG 3.31Å; K147-N151 PolarHBondContact O-N 3.19Å; K147-I378 HydrophobicContact CB-CD1 4.05Å; K147-I378 HydrophobicContact CB-CG1 4.45Å; K147-L383 HydrophobicContact CD-CD1 4.09Å
148	I	59	Low	57.9	Low	6 Å²	6	75.1 Å²	75.1	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-53.6	171.4	-63	164.8	0	0	0	110.4	I144 N145 N150 N151 N152 L160 L375 I378	I144-I148 HydrophobicContact CG2-CD1 3.66Å; I144-I148 HydrophobicContact CG2-CG1 4.3Å; I144-I148 WeakPolarHBondContact O-CG1 3.39Å; I144-I148 PolarHBondContact O-N 3.2Å; N145-I148 PolarHBondContact O-N 3.03Å; N145-I148 VanDerWaalsContact O-N 3.13Å; I148-N150 VanDerWaalsContact C-N 3.33Å; I148-N150 PolarHBondContact O-N 2.91Å; I148-N151 PolarHBondContact O-N 3.47Å; I148-N152 WeakPolarHBondContact O-CB 3.25Å; I148-N152 PolarHBondContact O-N 3.49Å; I148-L160 HydrophobicContact CD1-CD1 3.8Å; I148-L160 HydrophobicContact CD1-CD2 3.85Å; I148-L160 HydrophobicContact CD1-CG 4.18Å; I148-L375 HydrophobicContact CD1-CD2 3.76Å; I148-L375 HydrophobicContact CG1-CD2 4.04Å; I148-I378 HydrophobicContact CG1-CD1 4.23Å
149	F	57.4	Low	57.6	Low	111 Å²	111	78.3 Å²	78.3	49%	0.487	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-38.5	-178.2	-76.5	-65.8	0	0	0	112.3	N145 N158	N145-F149 HydrophobicContact CB-CD2 4.26Å; N145-F149 HydrophobicContact CB-CE2 4.24Å; N145-F149 WeakPolarHBondContact O-CD2 3.3Å; N145-F149 PolarHBondContact O-N 3.11Å; F149-N158 HydrophobicContact CD1-CB 4.18Å; F149-N158 WeakPolarHBondContact CD1-ND2 3.38Å; F149-N158 HydrophobicContact CE1-CB 3.71Å; F149-N158 HydrophobicContact CZ-CB 4.46Å
150	N	58.5	Low	57.5	Low	93 Å²	93	76.6 Å²	76.6	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-71.8	-35.2	176.8	-83.1	-63.5	0	0	0	113.6	Q146 I148 K153	Q146-N150 VanDerWaalsContact O-CB 3.26Å; Q146-N150 WeakPolarHBondContact O-CB 3.27Å; Q146-N150 PolarHBondContact O-N 3.02Å; Q146-N150 PolarHBondContact O-ND2 2.82Å; I148-N150 VanDerWaalsContact C-N 3.33Å; I148-N150 PolarHBondContact O-N 2.91Å; N150-K153 VanDerWaalsContact OD1-CE 3.25Å; N150-K153 WeakPolarHBondContact OD1-CE 3.43Å; N150-K153 PolarHBondContact OD1-NZ 3.03Å
151	N	53	Low	57.3	Low	88 Å²	88	79.3 Å²	79.3	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-69.3	-37	174.1	-78.9	-9.5	0	0	0	112.1	K147 I148 S377	K147-N151 WeakPolarHBondContact O-CB 3.36Å; K147-N151 VanDerWaalsContact O-CG 3.31Å; K147-N151 PolarHBondContact O-N 3.19Å; I148-N151 PolarHBondContact O-N 3.47Å; N151-S377 WeakPolarHBondContact ND2-CB 3.49Å; N151-S377 PolarHBondContact ND2-O 3.44Å; N151-S377 PolarHBondContact ND2-OG 3.09Å; N151-S377 VanDerWaalsContact ND2-OG 3.09Å
152	N	52.6	Low	57.4	Low	44 Å²	44	79.3 Å²	79.3	24%	0.235	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	34.4	-171.6	-73.7	-15.7	0	0	0	114.8	I148 N154 N155 N158	I148-N152 WeakPolarHBondContact O-CB 3.25Å; I148-N152 PolarHBondContact O-N 3.49Å; N152-N154 PolarHBondContact O-N 3.12Å; N152-N155 PolarHBondContact O-N 3.42Å; N152-N155 VanDerWaalsContact O-N 3.08Å; N152-N158 WeakPolarHBondContact CB-OD1 3.47Å; N152-N158 PolarHBondContact ND2-OD1 2.77Å; N152-N158 VanDerWaalsContact ND2-OD1 3.12Å
153	K	51.5	Low	57.2	Low	158 Å²	158	78.3 Å²	78.3	69%	0.687	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-10.6	-179.2	-77.4	-177.5	179.5	179.3	0	116.4	N150	N150-K153 VanDerWaalsContact OD1-CE 3.25Å; N150-K153 WeakPolarHBondContact OD1-CE 3.43Å; N150-K153 PolarHBondContact OD1-NZ 3.03Å
154	N	49.1	Very low	56.9	Low	159 Å²	159	78.2 Å²	78.2	85%	0.85	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-3.2	-179.4	-65.7	-20.1	0	0	0	115.1	N152	N152-N154 PolarHBondContact O-N 3.12Å
155	N	46.7	Very low	57	Low	98 Å²	98	80.9 Å²	80.9	52%	0.524	40%	0.397	S	S	.	.			trans	-120.4	116.1	-172.7	-78.6	-31.1	0	0	0	113.1	N152 H157	N152-N155 PolarHBondContact O-N 3.42Å; N152-N155 VanDerWaalsContact O-N 3.08Å; N155-H157 PolarHBondContact O-N 2.95Å
156	K	46.2	Very low	57.2	Low	216 Å²	216	85.8 Å²	85.8	94%	0.939	42%	0.423	S	S	*	.	S	Bend	trans	-72	26.6	169.4	-80.3	-167.7	170	-170.5	0	114
157	H	44.2	Very low	57.2	Low	157 Å²	157	85 Å²	85	73%	0.727	42%	0.419	S	S	*	.			trans	-123.2	32.1	-177.3	-75.9	-69.2	0	0	0	112.4	N155 Q159	N155-H157 PolarHBondContact O-N 2.95Å; H157-Q159 PolarHBondContact O-N 2.95Å
158	N	49.7	Very low	57.4	Low	49 Å²	49	85.7 Å²	85.7	26%	0.262	43%	0.426	S	S	.	.			trans	-77.8	59.3	174.9	-67.3	-24.4	0	0	0	111.3	F149 N152	F149-N158 HydrophobicContact CD1-CB 4.18Å; F149-N158 WeakPolarHBondContact CD1-ND2 3.38Å; F149-N158 HydrophobicContact CE1-CB 3.71Å; F149-N158 HydrophobicContact CZ-CB 4.46Å; N152-N158 WeakPolarHBondContact CB-OD1 3.47Å; N152-N158 PolarHBondContact ND2-OD1 2.77Å; N152-N158 VanDerWaalsContact ND2-OD1 3.12Å
159	Q	58.5	Low	57.7	Low	111 Å²	111	85.8 Å²	85.8	52%	0.519	43%	0.426	S	S	.	.			trans	-99.1	113.6	169.1	-80.4	-171.4	-23.1	0	0	108.1	H157 L161 L168	H157-Q159 PolarHBondContact O-N 2.95Å; Q159-L161 PolarHBondContact O-N 3.18Å; Q159-L168 HydrophobicContact CB-CD1 3.63Å; Q159-L168 HydrophobicContact CG-CD1 3.62Å
160	L	61.3	Low	57.9	Low	16 Å²	16	84.2 Å²	84.2	8%	0.084	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	123.3	171	-86	146.4	0	0	0	107.9	I148 L169 M171 L371 N374	I148-L160 HydrophobicContact CD1-CD1 3.8Å; I148-L160 HydrophobicContact CD1-CD2 3.85Å; I148-L160 HydrophobicContact CD1-CG 4.18Å; L160-L169 HydrophobicContact CB-CB 4.25Å; L160-L169 PolarHBondContact O-N 2.78Å; L160-M171 HydrophobicContact CB-CG 3.94Å; L160-M171 HydrophobicContact CD1-CB 3.83Å; L160-M171 HydrophobicContact CD1-CG 3.71Å; L160-M171 HydrophobicContact CG-CG 4.27Å; L160-L371 HydrophobicContact CD2-CB 4.42Å; L160-L371 HydrophobicContact CD2-CD1 4.23Å; L160-L371 HydrophobicContact CD2-CD2 4.32Å; L160-N374 HydrophobicContact CD2-CB 4.21Å
161	L	62.9	Low	58	Low	56 Å²	56	80.1 Å²	80.1	29%	0.293	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.8	-177.7	-64.9	170.4	0	0	0	108.7	Q159 N163 H167	Q159-L161 PolarHBondContact O-N 3.18Å; L161-N163 PolarHBondContact O-N 3.32Å; L161-H167 WeakPolarHBondContact CA-O 3.34Å
162	C	65.5	Low	58.2	Low	1 Å²	1	80.9 Å²	80.9	1%	0.007	41%	0.405	C	S	.	.			trans	-70	122	167.8	176.2	0	0	0	0	109.1	I164 C165 N166 H167 L169 H180 H185	C162-I164 PolarHBondContact O-N 2.88Å; C162-I164 VanDerWaalsContact O-N 3.09Å; C162-C165 PolarHBondContact O-N 3.26Å; C162-N166 VanDerWaalsContact O-CA 3.22Å; C162-N166 WeakPolarHBondContact O-CA 3.43Å; C162-N166 PolarHBondContact O-N 3.04Å; C162-H167 PolarHBondContact N-O 2.76Å; C162-L169 HydrophobicContact CB-CD1 3.84Å; C162-L169 HydrophobicContact CB-CG 4.11Å; C162-H180 VanDerWaalsContact CB-NE2 3.26Å; C162-H180 WeakPolarHBondContact CB-NE2 3.43Å; C162-H180 PolarHBondContact SG-NE2 3.26Å; C162-H185 PolarHBondContact SG-NE2 3.2Å; C162-H185 VanDerWaalsContact SG-NE2 3.4Å
163	N	63.6	Low	58.4	Low	54 Å²	54	83.6 Å²	83.6	29%	0.289	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.2	-178.5	-81	-2.6	0	0	0	114.6	L161 M369 L370 W372	L161-N163 PolarHBondContact O-N 3.32Å; N163-M369 PolarHBondContact ND2-O 3.36Å; N163-L370 VanDerWaalsContact CB-O 3.23Å; N163-L370 WeakPolarHBondContact CB-O 3.17Å; N163-L370 PolarHBondContact N-O 3.42Å; N163-L370 VanDerWaalsContact N-O 3.11Å; N163-L370 PolarHBondContact ND2-O 3.4Å; N163-W372 VanDerWaalsContact CG-O 3.28Å; N163-W372 WeakPolarHBondContact ND2-CA 3.16Å; N163-W372 WeakPolarHBondContact ND2-CB 3.44Å; N163-W372 PolarHBondContact ND2-N 2.88Å; N163-W372 PolarHBondContact ND2-O 3.48Å; N163-W372 PolarHBondContact OD1-O 2.89Å
164	I	60	Low	58.9	Low	27 Å²	27	76.5 Å²	76.5	14%	0.138	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-28.9	-169.2	-45	175.6	0	0	0	111.6	F116 V120 C162 H185 L370	F116-I164 HydrophobicContact CE1-CD1 3.99Å; F116-I164 HydrophobicContact CE1-CG1 3.94Å; V120-I164 HydrophobicContact CG1-CD1 4.16Å; V120-I164 HydrophobicContact CG2-CD1 4.03Å; C162-I164 PolarHBondContact O-N 2.88Å; C162-I164 VanDerWaalsContact O-N 3.09Å; I164-H185 VanDerWaalsContact CB-CE1 3.45Å; I164-H185 WeakPolarHBondContact CB-CE1 3.44Å; I164-H185 HydrophobicContact CD1-CB 4.09Å; I164-H185 VanDerWaalsContact CG2-CE1 3.49Å; I164-H185 WeakPolarHBondContact CG2-CE1 3.36Å; I164-H185 VanDerWaalsContact CG2-ND1 3.29Å; I164-H185 WeakPolarHBondContact CG2-ND1 3.25Å; I164-L370 HydrophobicContact CD1-CD2 3.92Å
165	C	65.4	Low	59.5	Low	56 Å²	56	71.5 Å²	71.5	38%	0.378	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-2.5	178.4	59.9	0	0	0	0	115.7	C162 H167 H180 H185	C162-C165 PolarHBondContact O-N 3.26Å; C165-H167 PolarHBondContact O-N 3.16Å; C165-H167 WeakPolarHBondContact SG-CB 3.44Å; C165-H180 VanDerWaalsContact SG-CE1 3.52Å; C165-H185 PolarHBondContact SG-NE2 3.07Å
166	N	64.7	Low	60.4	Low	117 Å²	117	70.5 Å²	70.5	63%	0.626	35%	0.353	S	S	*	.			trans	56.6	27.9	-170.2	-56.3	-80.6	0	0	0	114.2	C162	C162-N166 VanDerWaalsContact O-CA 3.22Å; C162-N166 WeakPolarHBondContact O-CA 3.43Å; C162-N166 PolarHBondContact O-N 3.04Å
167	H	67.7	Low	61.4	Low	100 Å²	100	60.3 Å²	60.3	46%	0.463	31%	0.309	S	S	.	.			trans	-72.4	143.5	171.3	-173.6	75.7	0	0	0	111	L161 C162 C165 L169 H180	L161-H167 WeakPolarHBondContact CA-O 3.34Å; C162-H167 PolarHBondContact N-O 2.76Å; C165-H167 PolarHBondContact O-N 3.16Å; C165-H167 WeakPolarHBondContact SG-CB 3.44Å; H167-L169 PolarHBondContact O-N 3.43Å; H167-H180 VanDerWaalsContact CB-CE1 3.5Å; H167-H180 WeakPolarHBondContact CB-CE1 3.39Å; H167-H180 AromaticContact CD2-CE1 3.54Å; H167-H180 AromaticContact CD2-ND1 3.28Å; H167-H180 PolarHBondContact CD2-ND1 2.97Å; H167-H180 VanDerWaalsContact CD2-ND1 3.28Å; H167-H180 AromaticContact CG-CE1 3.73Å; H167-H180 AromaticContact CG-ND1 3.92Å
168	L	67.4	Low	62.2	Low	82 Å²	82	53.7 Å²	53.7	43%	0.429	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	111	173.9	176.5	59	0	0	0	109.9	Q159	Q159-L168 HydrophobicContact CB-CD1 3.63Å; Q159-L168 HydrophobicContact CG-CD1 3.62Å
169	L	65.8	Low	62.9	Low	8 Å²	8	54.6 Å²	54.6	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	111.2	170.1	-69.9	167.4	0	0	0	108.8	L160 C162 H167 M171 L177 H180 L371	L160-L169 HydrophobicContact CB-CB 4.25Å; L160-L169 PolarHBondContact O-N 2.78Å; C162-L169 HydrophobicContact CB-CD1 3.84Å; C162-L169 HydrophobicContact CB-CG 4.11Å; H167-L169 PolarHBondContact O-N 3.43Å; L169-M171 HydrophobicContact CB-CG 3.94Å; L169-M171 HydrophobicContact CB-SD 4.09Å; L169-M171 HydrophobicContact CD1-SD 4.44Å; L169-M171 PolarHBondContact O-N 3.12Å; L169-L177 HydrophobicContact CD1-CD1 3.79Å; L169-L177 HydrophobicContact CD2-CD1 3.74Å; L169-L177 HydrophobicContact CG-CD1 4.43Å; L169-H180 HydrophobicContact CD2-CB 3.73Å; L169-L371 HydrophobicContact CD1-CD2 3.32Å
170	N	62.6	Low	63.5	Low	78 Å²	78	50 Å²	50	42%	0.417	26%	0.264	S	S	.	.			trans	-77.1	106.6	162.1	-169.7	61.9	0	0	0	107.8	D172 E176	N170-D172 VanDerWaalsContact C-N 3.28Å; N170-D172 PolarHBondContact ND2-OD2 2.96Å; N170-D172 PolarHBondContact O-N 3.18Å; N170-E176 WeakPolarHBondContact CB-OE2 3.38Å; N170-E176 PolarHBondContact ND2-OE1 2.78Å
171	M	60.7	Low	63.6	Low	7 Å²	7	49.3 Å²	49.3	3%	0.034	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	31.9	-170.4	-72.5	-69.8	-61.6	0	0	112.2	I141 N145 L160 L169 Q173 L177 L371	I141-M171 HydrophobicContact CD1-CE 3.63Å; I141-M171 HydrophobicContact CG1-CE 3.83Å; I141-M171 HydrophobicContact CG2-CB 4.4Å; I141-M171 HydrophobicContact CG2-CE 3.96Å; I141-M171 WeakPolarHBondContact CG2-O 3.35Å; N145-M171 PolarHBondContact ND2-O 3.47Å; L160-M171 HydrophobicContact CB-CG 3.94Å; L160-M171 HydrophobicContact CD1-CB 3.83Å; L160-M171 HydrophobicContact CD1-CG 3.71Å; L160-M171 HydrophobicContact CG-CG 4.27Å; L169-M171 HydrophobicContact CB-CG 3.94Å; L169-M171 HydrophobicContact CB-SD 4.09Å; L169-M171 HydrophobicContact CD1-SD 4.44Å; L169-M171 PolarHBondContact O-N 3.12Å; M171-Q173 VanDerWaalsContact C-N 3.26Å; M171-Q173 PolarHBondContact O-N 3.32Å; M171-L177 HydrophobicContact CE-CB 4.36Å; M171-L177 HydrophobicContact CE-CD2 3.91Å; M171-L177 HydrophobicContact SD-CB 3.85Å; M171-L177 HydrophobicContact SD-CD1 4.44Å; M171-L177 HydrophobicContact SD-CD2 4.15Å; M171-L177 HydrophobicContact SD-CG 4.37Å; M171-L371 HydrophobicContact CE-CD1 4.45Å
172	D	56.2	Low	63.5	Low	105 Å²	105	50.4 Å²	50.4	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.1	177.5	-71	-28.1	0	0	0	111.9	N170	N170-D172 VanDerWaalsContact C-N 3.28Å; N170-D172 PolarHBondContact ND2-OD2 2.96Å; N170-D172 PolarHBondContact O-N 3.18Å
173	Q	56.6	Low	63.4	Low	100 Å²	100	55 Å²	55	47%	0.467	29%	0.289	S	S	.	.			trans	-141.3	149.8	175.8	-54.7	-175.1	15	0	0	111.6	M171 T175 E176	M171-Q173 VanDerWaalsContact C-N 3.26Å; M171-Q173 PolarHBondContact O-N 3.32Å; Q173-T175 WeakPolarHBondContact CB-OG1 3.49Å; Q173-T175 PolarHBondContact O-N 3.37Å; Q173-T175 PolarHBondContact OE1-OG1 3.33Å; Q173-E176 PolarHBondContact O-N 3.33Å
174	F	62.2	Low	63.4	Low	9 Å²	9	58.6 Å²	58.6	4%	0.039	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-31.3	173.3	-176.1	-129.8	0	0	0	112.9	L127 L137 N138 I141 E176 L177 M178	L127-F174 HydrophobicContact CD1-CZ 4.29Å; L127-F174 HydrophobicContact CD2-CZ 3.96Å; L137-F174 HydrophobicContact CB-CB 4.43Å; L137-F174 HydrophobicContact CB-CD1 3.95Å; L137-F174 HydrophobicContact CB-CE1 4.48Å; L137-F174 HydrophobicContact CB-CG 4.22Å; L137-F174 HydrophobicContact CD1-CD1 3.8Å; L137-F174 HydrophobicContact CD1-CE1 3.47Å; L137-F174 VanDerWaalsContact CD1-CE1 3.47Å; L137-F174 HydrophobicContact CD1-CZ 4.02Å; L137-F174 HydrophobicContact CD2-CD1 3.85Å; L137-F174 HydrophobicContact CD2-CD2 3.82Å; L137-F174 HydrophobicContact CD2-CE1 3.83Å; L137-F174 HydrophobicContact CD2-CE2 3.79Å; L137-F174 HydrophobicContact CD2-CG 3.84Å; L137-F174 HydrophobicContact CD2-CZ 3.78Å; L137-F174 HydrophobicContact CG-CD1 4.04Å; L137-F174 HydrophobicContact CG-CE1 4.09Å; L137-F174 HydrophobicContact CG-CG 4.42Å; L137-F174 HydrophobicContact CG-CZ 4.48Å; N138-F174 WeakPolarHBondContact OD1-CB 3.47Å; N138-F174 PolarHBondContact OD1-N 2.61Å; I141-F174 HydrophobicContact CD1-CB 3.7Å; I141-F174 HydrophobicContact CD1-CD2 3.47Å; I141-F174 VanDerWaalsContact CD1-CD2 3.47Å; I141-F174 HydrophobicContact CD1-CE2 4.49Å; I141-F174 HydrophobicContact CD1-CG 3.98Å; F174-E176 PolarHBondContact O-N 2.7Å; F174-L177 HydrophobicContact CD2-CB 4.37Å; F174-L177 HydrophobicContact CD2-CD2 4.32Å; F174-L177 HydrophobicContact CE2-CD2 4.19Å; F174-L177 PolarHBondContact O-N 3.29Å; F174-L177 VanDerWaalsContact O-N 3.1Å; F174-M178 HydrophobicContact CD1-CG 3.87Å; F174-M178 HydrophobicContact CD2-CG 4.18Å; F174-M178 HydrophobicContact CE1-CG 3.34Å; F174-M178 HydrophobicContact CE1-SD 3.96Å; F174-M178 HydrophobicContact CE2-CG 3.73Å; F174-M178 HydrophobicContact CE2-SD 3.97Å; F174-M178 HydrophobicContact CG-CG 4.27Å; F174-M178 HydrophobicContact CZ-CG 3.29Å; F174-M178 HydrophobicContact CZ-SD 3.4Å; F174-M178 WeakPolarHBondContact CZ-SD 3.44Å; F174-M178 PolarHBondContact O-N 3.45Å
175	T	61.4	Low	63.5	Low	55 Å²	55	59.1 Å²	59.1	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-55	-37.8	176.4	46	0	0	0	0	112.1	Q173 T179	Q173-T175 WeakPolarHBondContact CB-OG1 3.49Å; Q173-T175 PolarHBondContact O-N 3.37Å; Q173-T175 PolarHBondContact OE1-OG1 3.33Å; T175-T179 WeakPolarHBondContact O-CB 3.48Å; T175-T179 PolarHBondContact O-N 2.95Å; T175-T179 PolarHBondContact O-OG1 3.4Å
176	E	65.7	Low	63.1	Low	77 Å²	77	57.5 Å²	57.5	36%	0.36	29%	0.291	S	S	.	.	H	α-helix	trans	-68.5	-40.5	176.6	-66.4	-171.6	-117.7	0	0	111.9	N170 Q173 F174 H180	N170-E176 WeakPolarHBondContact CB-OE2 3.38Å; N170-E176 PolarHBondContact ND2-OE1 2.78Å; Q173-E176 PolarHBondContact O-N 3.33Å; F174-E176 PolarHBondContact O-N 2.7Å; E176-H180 VanDerWaalsContact O-CB 3.24Å; E176-H180 WeakPolarHBondContact O-CB 3.46Å; E176-H180 PolarHBondContact O-N 2.83Å
177	L	66.7	Low	62.4	Low	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-44.7	174.4	177.1	59.6	0	0	0	112	L169 M171 F174 H180 L181 L367	L169-L177 HydrophobicContact CD1-CD1 3.79Å; L169-L177 HydrophobicContact CD2-CD1 3.74Å; L169-L177 HydrophobicContact CG-CD1 4.43Å; M171-L177 HydrophobicContact CE-CB 4.36Å; M171-L177 HydrophobicContact CE-CD2 3.91Å; M171-L177 HydrophobicContact SD-CB 3.85Å; M171-L177 HydrophobicContact SD-CD1 4.44Å; M171-L177 HydrophobicContact SD-CD2 4.15Å; M171-L177 HydrophobicContact SD-CG 4.37Å; F174-L177 HydrophobicContact CD2-CB 4.37Å; F174-L177 HydrophobicContact CD2-CD2 4.32Å; F174-L177 HydrophobicContact CE2-CD2 4.19Å; F174-L177 PolarHBondContact O-N 3.29Å; F174-L177 VanDerWaalsContact O-N 3.1Å; L177-H180 WeakPolarHBondContact O-CB 3.41Å; L177-H180 PolarHBondContact O-N 2.85Å; L177-L181 HydrophobicContact CD1-CD1 4.03Å; L177-L181 HydrophobicContact CD1-CG 4.03Å; L177-L181 HydrophobicContact CG-CD1 3.98Å; L177-L181 HydrophobicContact CG-CG 4.42Å; L177-L181 WeakPolarHBondContact O-CB 3.41Å; L177-L181 WeakPolarHBondContact O-CG 3.35Å; L177-L181 PolarHBondContact O-N 3.25Å; L177-L367 HydrophobicContact CD2-CD2 3.35Å
178	M	62.4	Low	61.6	Low	18 Å²	18	52.8 Å²	52.8	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-44.5	177.8	-74.4	-58.3	-69	0	0	111.6	L127 N128 F174 H180 L181 Q182	L127-M178 HydrophobicContact CB-CE 4.14Å; L127-M178 HydrophobicContact CB-SD 4.48Å; L127-M178 HydrophobicContact CD1-CE 4.4Å; L127-M178 HydrophobicContact CD1-SD 3.82Å; N128-M178 WeakPolarHBondContact OD1-CE 3.23Å; F174-M178 HydrophobicContact CD1-CG 3.87Å; F174-M178 HydrophobicContact CD2-CG 4.18Å; F174-M178 HydrophobicContact CE1-CG 3.34Å; F174-M178 HydrophobicContact CE1-SD 3.96Å; F174-M178 HydrophobicContact CE2-CG 3.73Å; F174-M178 HydrophobicContact CE2-SD 3.97Å; F174-M178 HydrophobicContact CG-CG 4.27Å; F174-M178 HydrophobicContact CZ-CG 3.29Å; F174-M178 HydrophobicContact CZ-SD 3.4Å; F174-M178 WeakPolarHBondContact CZ-SD 3.44Å; F174-M178 PolarHBondContact O-N 3.45Å; M178-H180 VanDerWaalsContact C-N 3.28Å; M178-H180 PolarHBondContact O-N 2.78Å; M178-L181 PolarHBondContact O-N 3.43Å; M178-L181 HydrophobicContact SD-CD1 4.3Å; M178-Q182 VanDerWaalsContact O-CB 3.31Å; M178-Q182 WeakPolarHBondContact O-CB 3.41Å; M178-Q182 VanDerWaalsContact O-CG 3.24Å; M178-Q182 WeakPolarHBondContact O-CG 3.48Å; M178-Q182 PolarHBondContact O-N 3.15Å; M178-Q182 PolarHBondContact O-OE1 2.82Å
179	T	64.3	Low	60.7	Low	68 Å²	68	53.3 Å²	53.3	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-40.6	173.7	-59.4	0	0	0	0	111	T175 N183	T175-T179 WeakPolarHBondContact O-CB 3.48Å; T175-T179 PolarHBondContact O-N 2.95Å; T175-T179 PolarHBondContact O-OG1 3.4Å; T179-N183 VanDerWaalsContact CG2-ND2 3.28Å; T179-N183 WeakPolarHBondContact CG2-ND2 3.46Å; T179-N183 WeakPolarHBondContact O-CB 3.49Å; T179-N183 VanDerWaalsContact O-CG 3.23Å; T179-N183 PolarHBondContact O-N 3.22Å; T179-N183 PolarHBondContact O-ND2 3.47Å
180	H	70.2	Confident	60.1	Low	13 Å²	13	55.1 Å²	55.1	6%	0.06	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-49.6	175.4	173.9	75.9	0	0	0	112.3	C162 C165 H167 L169 E176 L177 M178 Q182 N183 K184 H185	C162-H180 VanDerWaalsContact CB-NE2 3.26Å; C162-H180 WeakPolarHBondContact CB-NE2 3.43Å; C162-H180 PolarHBondContact SG-NE2 3.26Å; C165-H180 VanDerWaalsContact SG-CE1 3.52Å; H167-H180 VanDerWaalsContact CB-CE1 3.5Å; H167-H180 WeakPolarHBondContact CB-CE1 3.39Å; H167-H180 AromaticContact CD2-CE1 3.54Å; H167-H180 AromaticContact CD2-ND1 3.28Å; H167-H180 PolarHBondContact CD2-ND1 2.97Å; H167-H180 VanDerWaalsContact CD2-ND1 3.28Å; H167-H180 AromaticContact CG-CE1 3.73Å; H167-H180 AromaticContact CG-ND1 3.92Å; L169-H180 HydrophobicContact CD2-CB 3.73Å; E176-H180 VanDerWaalsContact O-CB 3.24Å; E176-H180 WeakPolarHBondContact O-CB 3.46Å; E176-H180 PolarHBondContact O-N 2.83Å; L177-H180 WeakPolarHBondContact O-CB 3.41Å; L177-H180 PolarHBondContact O-N 2.85Å; M178-H180 VanDerWaalsContact C-N 3.28Å; M178-H180 PolarHBondContact O-N 2.78Å; H180-Q182 PolarHBondContact O-N 3.24Å; H180-N183 PolarHBondContact O-N 3Å; H180-K184 VanDerWaalsContact O-CB 3.31Å; H180-K184 WeakPolarHBondContact O-CB 3.39Å; H180-K184 PolarHBondContact O-N 3.34Å; H180-H185 AromaticContact CE1-NE2 3.89Å; H180-H185 AromaticContact NE2-CD2 3.49Å; H180-H185 PolarHBondContact NE2-CD2 3.2Å; H180-H185 AromaticContact NE2-NE2 3.28Å; H180-H185 PolarHBondContact NE2-NE2 3.37Å
181	L	64	Low	59.9	Low	2 Å²	2	56.3 Å²	56.3	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-48.8	178.5	-72.2	169	0	0	0	110.3	L177 M178 H185 I186 F366 L370	L177-L181 HydrophobicContact CD1-CD1 4.03Å; L177-L181 HydrophobicContact CD1-CG 4.03Å; L177-L181 HydrophobicContact CG-CD1 3.98Å; L177-L181 HydrophobicContact CG-CG 4.42Å; L177-L181 WeakPolarHBondContact O-CB 3.41Å; L177-L181 WeakPolarHBondContact O-CG 3.35Å; L177-L181 PolarHBondContact O-N 3.25Å; M178-L181 PolarHBondContact O-N 3.43Å; M178-L181 HydrophobicContact SD-CD1 4.3Å; L181-H185 HydrophobicContact CD2-CB 4.49Å; L181-H185 CarbonylContact O-C 3.51Å; L181-H185 WeakPolarHBondContact O-CA 3.24Å; L181-H185 WeakPolarHBondContact O-CB 3.49Å; L181-H185 PolarHBondContact O-N 3.15Å; L181-I186 HydrophobicContact CB-CD1 3.8Å; L181-I186 HydrophobicContact CB-CG1 4.43Å; L181-I186 PolarHBondContact O-N 3.3Å; L181-F366 HydrophobicContact CD1-CE1 4.3Å; L181-L370 HydrophobicContact CD1-CD1 3.8Å; L181-L370 HydrophobicContact CD2-CD1 3.93Å; L181-L370 HydrophobicContact CD2-CD2 4.07Å; L181-L370 HydrophobicContact CG-CD1 4.47Å
182	Q	61.1	Low	60.3	Low	79 Å²	79	56 Å²	56	37%	0.369	29%	0.285	S	S	.	.	H	α-helix	trans	-57.6	-53	176.3	-71.4	165.7	-15.7	0	0	111.4	M178 H180 K184 I186 V187	M178-Q182 VanDerWaalsContact O-CB 3.31Å; M178-Q182 WeakPolarHBondContact O-CB 3.41Å; M178-Q182 VanDerWaalsContact O-CG 3.24Å; M178-Q182 WeakPolarHBondContact O-CG 3.48Å; M178-Q182 PolarHBondContact O-N 3.15Å; M178-Q182 PolarHBondContact O-OE1 2.82Å; H180-Q182 PolarHBondContact O-N 3.24Å; Q182-K184 VanDerWaalsContact C-N 3.34Å; Q182-K184 PolarHBondContact O-N 2.88Å; Q182-I186 HydrophobicContact CG-CD1 4.26Å; Q182-I186 CarbonylContact O-C 3.45Å; Q182-V187 VanDerWaalsContact O-CG2 3.28Å; Q182-V187 WeakPolarHBondContact O-CG2 3.29Å; Q182-V187 PolarHBondContact O-N 2.94Å
183	N	63.6	Low	60.4	Low	99 Å²	99	55.6 Å²	55.6	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-80.6	-2.2	-173.5	-66.3	-27.4	0	0	0	115.9	T179 H180 V187	T179-N183 VanDerWaalsContact CG2-ND2 3.28Å; T179-N183 WeakPolarHBondContact CG2-ND2 3.46Å; T179-N183 WeakPolarHBondContact O-CB 3.49Å; T179-N183 VanDerWaalsContact O-CG 3.23Å; T179-N183 PolarHBondContact O-N 3.22Å; T179-N183 PolarHBondContact O-ND2 3.47Å; H180-N183 PolarHBondContact O-N 3Å; N183-V187 VanDerWaalsContact C-CG2 3.42Å
184	K	63.3	Low	60.6	Low	128 Å²	128	52.9 Å²	52.9	56%	0.557	28%	0.281	S	S	*	.	H	α-helix	trans	-134.9	-23.5	-178.8	-59.8	-65.5	161.6	-143.1	0	115.7	H180 Q182	H180-K184 VanDerWaalsContact O-CB 3.31Å; H180-K184 WeakPolarHBondContact O-CB 3.39Å; H180-K184 PolarHBondContact O-N 3.34Å; Q182-K184 VanDerWaalsContact C-N 3.34Å; Q182-K184 PolarHBondContact O-N 2.88Å
185	H	62	Low	61.3	Low	39 Å²	39	55.1 Å²	55.1	18%	0.181	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-22.7	-169	-61.1	-46.8	0	0	0	114.4	C162 I164 C165 H180 L181	C162-H185 PolarHBondContact SG-NE2 3.2Å; C162-H185 VanDerWaalsContact SG-NE2 3.4Å; I164-H185 VanDerWaalsContact CB-CE1 3.45Å; I164-H185 WeakPolarHBondContact CB-CE1 3.44Å; I164-H185 HydrophobicContact CD1-CB 4.09Å; I164-H185 VanDerWaalsContact CG2-CE1 3.49Å; I164-H185 WeakPolarHBondContact CG2-CE1 3.36Å; I164-H185 VanDerWaalsContact CG2-ND1 3.29Å; I164-H185 WeakPolarHBondContact CG2-ND1 3.25Å; C165-H185 PolarHBondContact SG-NE2 3.07Å; H180-H185 AromaticContact CE1-NE2 3.89Å; H180-H185 AromaticContact NE2-CD2 3.49Å; H180-H185 PolarHBondContact NE2-CD2 3.2Å; H180-H185 AromaticContact NE2-NE2 3.28Å; H180-H185 PolarHBondContact NE2-NE2 3.37Å; L181-H185 HydrophobicContact CD2-CB 4.49Å; L181-H185 CarbonylContact O-C 3.51Å; L181-H185 WeakPolarHBondContact O-CA 3.24Å; L181-H185 WeakPolarHBondContact O-CB 3.49Å; L181-H185 PolarHBondContact O-N 3.15Å
186	I	57.5	Low	61.8	Low	22 Å²	22	60.8 Å²	60.8	11%	0.113	32%	0.32	C	S	.	.			trans	-115.1	29.5	172.9	-35.4	153.3	0	0	0	109	L181 Q182 T188	L181-I186 HydrophobicContact CB-CD1 3.8Å; L181-I186 HydrophobicContact CB-CG1 4.43Å; L181-I186 PolarHBondContact O-N 3.3Å; Q182-I186 HydrophobicContact CG-CD1 4.26Å; Q182-I186 CarbonylContact O-C 3.45Å; I186-T188 HydrophobicContact CG2-CG2 4.31Å; I186-T188 PolarHBondContact O-N 3.11Å; I186-T188 PolarHBondContact O-OG1 2.96Å; I186-T188 VanDerWaalsContact O-OG1 3.11Å
187	V	49	Very low	61.9	Low	89 Å²	89	62 Å²	62	54%	0.539	33%	0.326	S	S	.	.			trans	-72	74.2	166.1	-173.1	0	0	0	0	107.5	Q182 N183 N189	Q182-V187 VanDerWaalsContact O-CG2 3.28Å; Q182-V187 WeakPolarHBondContact O-CG2 3.29Å; Q182-V187 PolarHBondContact O-N 2.94Å; N183-V187 VanDerWaalsContact C-CG2 3.42Å; V187-N189 PolarHBondContact O-N 2.87Å; V187-N189 VanDerWaalsContact O-N 3.15Å
188	T	50.4	Low	61.7	Low	28 Å²	28	67.1 Å²	67.1	17%	0.172	35%	0.352	C	S	.	.			trans	-78.8	89.8	175.1	33.8	0	0	0	0	106.9	I186 Y190	I186-T188 HydrophobicContact CG2-CG2 4.31Å; I186-T188 PolarHBondContact O-N 3.11Å; I186-T188 PolarHBondContact O-OG1 2.96Å; I186-T188 VanDerWaalsContact O-OG1 3.11Å; T188-Y190 VanDerWaalsContact CB-CE2 3.41Å; T188-Y190 WeakPolarHBondContact CB-OH 3.32Å; T188-Y190 HydrophobicContact CG2-CE1 4.46Å; T188-Y190 WeakPolarHBondContact O-CD2 3.27Å; T188-Y190 WeakPolarHBondContact O-CE2 3.41Å; T188-Y190 PolarHBondContact O-N 3.41Å; T188-Y190 WeakPolarHBondContact OG1-CE2 3.48Å; T188-Y190 VanDerWaalsContact OG1-CZ 3.25Å; T188-Y190 PolarHBondContact OG1-OH 3.4Å
189	N	49.3	Very low	61.6	Low	93 Å²	93	67.6 Å²	67.6	50%	0.497	35%	0.354	S	S	.	.			trans	-67.3	88.1	162.3	-82.1	6.8	0	0	0	107.3	V187 H191 I198	V187-N189 PolarHBondContact O-N 2.87Å; V187-N189 VanDerWaalsContact O-N 3.15Å; N189-H191 PolarHBondContact O-N 3.32Å; N189-I198 HydrophobicContact CB-CG2 3.63Å
190	Y	52.8	Low	61.1	Low	47 Å²	47	69.2 Å²	69.2	18%	0.184	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	118.3	174.4	-61.7	-82	0	0	0	107.6	T188 I198 F199 Q202 C205	T188-Y190 VanDerWaalsContact CB-CE2 3.41Å; T188-Y190 WeakPolarHBondContact CB-OH 3.32Å; T188-Y190 HydrophobicContact CG2-CE1 4.46Å; T188-Y190 WeakPolarHBondContact O-CD2 3.27Å; T188-Y190 WeakPolarHBondContact O-CE2 3.41Å; T188-Y190 PolarHBondContact O-N 3.41Å; T188-Y190 WeakPolarHBondContact OG1-CE2 3.48Å; T188-Y190 VanDerWaalsContact OG1-CZ 3.25Å; T188-Y190 PolarHBondContact OG1-OH 3.4Å; Y190-I198 WeakPolarHBondContact O-CA 3.33Å; Y190-F199 PolarHBondContact N-O 2.91Å; Y190-F199 WeakPolarHBondContact O-CD2 3.12Å; Y190-F199 PolarHBondContact O-N 2.91Å; Y190-Q202 HydrophobicContact CD1-CB 4.35Å; Y190-Q202 HydrophobicContact CD1-CG 4.13Å; Y190-Q202 HydrophobicContact CD2-CB 4.23Å; Y190-Q202 HydrophobicContact CE1-CB 3.84Å; Y190-Q202 HydrophobicContact CE1-CG 3.66Å; Y190-Q202 HydrophobicContact CE2-CB 3.71Å; Y190-Q202 HydrophobicContact CE2-CG 4.45Å; Y190-Q202 VanDerWaalsContact CE2-N 3.27Å; Y190-C205 HydrophobicContact CG-CB 4.32Å
191	H	59.5	Low	60.3	Low	102 Å²	102	71 Å²	71	47%	0.472	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.1	-179.5	51.3	-77.8	0	0	0	108.7	N189 N193 E197	N189-H191 PolarHBondContact O-N 3.32Å; H191-N193 PolarHBondContact CD2-OD1 3.27Å; H191-N193 PolarHBondContact O-N 2.82Å; H191-E197 WeakPolarHBondContact CA-O 3.12Å
192	C	67.6	Low	59.8	Low	2 Å²	2	74.5 Å²	74.5	1%	0.014	39%	0.394	C	S	.	.			trans	-79.7	111.6	171.4	179.3	0	0	0	0	109.6	G194 C195 E196 E197 F199 H208 I209 H213	C192-G194 PolarHBondContact O-N 3.46Å; C192-G194 PolarHBondContact SG-N 2.8Å; C192-G194 VanDerWaalsContact SG-N 3.43Å; C192-C195 VanDerWaalsContact CB-SG 3.54Å; C192-C195 PolarHBondContact O-N 3.41Å; C192-C195 VanDerWaalsContact O-N 3.13Å; C192-C195 VanDerWaalsContact SG-SG 3.67Å; C192-E196 WeakPolarHBondContact O-CA 3.26Å; C192-E196 PolarHBondContact O-N 3.45Å; C192-E197 PolarHBondContact N-O 3.08Å; C192-F199 HydrophobicContact CB-CE2 4.08Å; C192-H208 PolarHBondContact SG-CD2 3.03Å; C192-H208 PolarHBondContact SG-NE2 3.05Å; C192-H208 VanDerWaalsContact SG-NE2 3.39Å; C192-I209 HydrophobicContact CB-CG1 4.45Å; C192-H213 PolarHBondContact SG-CD2 2.84Å; C192-H213 PolarHBondContact SG-NE2 2.91Å; C192-H213 VanDerWaalsContact SG-NE2 3.41Å
193	N	59	Low	59.6	Low	96 Å²	96	74.9 Å²	74.9	51%	0.513	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-11	176.3	-78.5	-36.2	0	0	0	114.2	H191 E513	H191-N193 PolarHBondContact CD2-OD1 3.27Å; H191-N193 PolarHBondContact O-N 2.82Å; N193-E513 PolarHBondContact ND2-O 3Å
194	G	59.8	Low	59.4	Low	43 Å²	43	74 Å²	74	44%	0.443	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-17.1	176	0	0	0	0	0	115.7	C192 H213	C192-G194 PolarHBondContact O-N 3.46Å; C192-G194 PolarHBondContact SG-N 2.8Å; C192-G194 VanDerWaalsContact SG-N 3.43Å; G194-H213 PolarHBondContact O-CE1 3.45Å; G194-H213 VanDerWaalsContact O-CE1 3.27Å
195	C	77.1	Confident	59.4	Low	55 Å²	55	68 Å²	68	37%	0.372	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152	-2.1	-174.1	68.5	0	0	0	0	115.8	C192 E197 H208	C192-C195 VanDerWaalsContact CB-SG 3.54Å; C192-C195 PolarHBondContact O-N 3.41Å; C192-C195 VanDerWaalsContact O-N 3.13Å; C192-C195 VanDerWaalsContact SG-SG 3.67Å; C195-E197 PolarHBondContact O-N 2.89Å; C195-E197 PolarHBondContact SG-N 3.29Å; C195-H208 VanDerWaalsContact SG-CE1 3.56Å; C195-H208 PolarHBondContact SG-NE2 3.31Å
196	E	72.7	Confident	59.2	Low	174 Å²	174	67.8 Å²	67.8	81%	0.813	36%	0.364	S	S	*	.			trans	64	8.9	-176	-54.6	-176.4	176.1	0	0	115.8	C192	C192-E196 WeakPolarHBondContact O-CA 3.26Å; C192-E196 PolarHBondContact O-N 3.45Å
197	E	67.9	Low	59.6	Low	103 Å²	103	68.4 Å²	68.4	48%	0.481	37%	0.369	S	S	.	.			trans	-64.7	143.1	172.3	-71	-173.8	165.7	0	0	112.2	H191 C192 C195 F199 H208	H191-E197 WeakPolarHBondContact CA-O 3.12Å; C192-E197 PolarHBondContact N-O 3.08Å; C195-E197 PolarHBondContact O-N 2.89Å; C195-E197 PolarHBondContact SG-N 3.29Å; E197-F199 HydrophobicContact CB-CE2 3.73Å; E197-F199 HydrophobicContact CB-CZ 3.72Å; E197-F199 WeakPolarHBondContact O-CE2 2.99Å; E197-H208 IonicContact OE2-CE1 3.33Å; E197-H208 PolarHBondContact OE2-CE1 3.26Å; E197-H208 IonicContact OE2-ND1 2.85Å; E197-H208 PolarHBondContact OE2-ND1 3.09Å; E197-H208 IonicContact OE2-NE2 3.29Å
198	I	61.3	Low	60.8	Low	109 Å²	109	65 Å²	65	56%	0.559	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	126	-174	-61.4	174	0	0	0	110.5	N189 Y190	N189-I198 HydrophobicContact CB-CG2 3.63Å; Y190-I198 WeakPolarHBondContact O-CA 3.33Å
199	F	61.9	Low	61.5	Low	29 Å²	29	64 Å²	64	13%	0.127	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	142	-179.6	-53.6	-88	0	0	0	110.7	Y190 C192 E197 D201 Q204 C205 H208	Y190-F199 PolarHBondContact N-O 2.91Å; Y190-F199 WeakPolarHBondContact O-CD2 3.12Å; Y190-F199 PolarHBondContact O-N 2.91Å; C192-F199 HydrophobicContact CB-CE2 4.08Å; E197-F199 HydrophobicContact CB-CE2 3.73Å; E197-F199 HydrophobicContact CB-CZ 3.72Å; E197-F199 WeakPolarHBondContact O-CE2 2.99Å; F199-D201 VanDerWaalsContact C-N 3.29Å; F199-Q204 HydrophobicContact CB-CB 4.35Å; F199-Q204 HydrophobicContact CD1-CB 3.97Å; F199-Q204 HydrophobicContact CG-CB 4.46Å; F199-C205 HydrophobicContact CB-CB 3.98Å; F199-C205 HydrophobicContact CD2-CB 3.71Å; F199-C205 HydrophobicContact CG-CB 3.95Å; F199-H208 HydrophobicContact CE1-CB 3.91Å; F199-H208 HydrophobicContact CE2-CB 4.14Å; F199-H208 AromaticContact CE2-CG 3.91Å; F199-H208 HydrophobicContact CZ-CB 3.57Å; F199-H208 AromaticContact CZ-CD2 3.89Å; F199-H208 AromaticContact CZ-CG 3.35Å; F199-H208 AromaticContact CZ-ND1 3.5Å; F199-H208 WeakPolarHBondContact CZ-ND1 3.35Å
200	S	53.4	Low	62.2	Low	101 Å²	101	61.1 Å²	61.1	71%	0.706	33%	0.325	S	S	*	.	S	Bend	trans	-84.8	-2.7	173.9	51	0	0	0	0	113.7
201	D	52.9	Low	62.9	Low	52 Å²	52	63.9 Å²	63.9	28%	0.278	34%	0.336	S	S	.	.	S	Bend	trans	-138.1	132.6	-173.8	169.2	17.6	0	0	0	109.5	F199 I203 Q204 C205	F199-D201 VanDerWaalsContact C-N 3.29Å; D201-I203 VanDerWaalsContact C-N 3.28Å; D201-I203 PolarHBondContact O-N 2.78Å; D201-I203 PolarHBondContact OD1-N 2.65Å; D201-Q204 HydrophobicContact CB-CB 4.09Å; D201-Q204 HydrophobicContact CB-CG 4.1Å; D201-Q204 PolarHBondContact O-N 3.28Å; D201-Q204 WeakPolarHBondContact OD2-CG 3.49Å; D201-Q204 PolarHBondContact OD2-N 3.39Å; D201-Q204 PolarHBondContact OD2-NE2 3.13Å; D201-C205 PolarHBondContact O-N 3.05Å; D201-C205 VanDerWaalsContact O-N 3.1Å
202	Q	54.4	Low	63.2	Low	74 Å²	74	63.9 Å²	63.9	35%	0.346	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-37.4	179.5	-164.7	178	9.5	0	0	111.2	Y190 C205 L206	Y190-Q202 HydrophobicContact CD1-CB 4.35Å; Y190-Q202 HydrophobicContact CD1-CG 4.13Å; Y190-Q202 HydrophobicContact CD2-CB 4.23Å; Y190-Q202 HydrophobicContact CE1-CB 3.84Å; Y190-Q202 HydrophobicContact CE1-CG 3.66Å; Y190-Q202 HydrophobicContact CE2-CB 3.71Å; Y190-Q202 HydrophobicContact CE2-CG 4.45Å; Y190-Q202 VanDerWaalsContact CE2-N 3.27Å; Q202-C205 PolarHBondContact O-N 3.5Å; Q202-L206 HydrophobicContact CG-CD1 4.11Å; Q202-L206 WeakPolarHBondContact O-CB 3.45Å; Q202-L206 WeakPolarHBondContact O-CG 3.27Å; Q202-L206 PolarHBondContact O-N 3.31Å
203	I	55.9	Low	63.3	Low	87 Å²	87	66.4 Å²	66.4	45%	0.446	35%	0.348	S	S	.	.	H	α-helix	trans	-69.8	-40.1	-178.7	-58.2	179.1	0	0	0	109.6	D201 L206 V207	D201-I203 VanDerWaalsContact C-N 3.28Å; D201-I203 PolarHBondContact O-N 2.78Å; D201-I203 PolarHBondContact OD1-N 2.65Å; I203-L206 PolarHBondContact O-N 2.9Å; I203-V207 HydrophobicContact CG2-CG2 4.21Å; I203-V207 VanDerWaalsContact O-CB 3.3Å; I203-V207 WeakPolarHBondContact O-CB 3.28Å; I203-V207 VanDerWaalsContact O-CG2 3.24Å; I203-V207 WeakPolarHBondContact O-CG2 3.3Å; I203-V207 PolarHBondContact O-N 2.8Å
204	Q	59.7	Low	63.1	Low	81 Å²	81	63.4 Å²	63.4	38%	0.379	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-43	173	-75.8	165.8	52.9	0	0	112.3	F199 D201 V207 H208	F199-Q204 HydrophobicContact CB-CB 4.35Å; F199-Q204 HydrophobicContact CD1-CB 3.97Å; F199-Q204 HydrophobicContact CG-CB 4.46Å; D201-Q204 HydrophobicContact CB-CB 4.09Å; D201-Q204 HydrophobicContact CB-CG 4.1Å; D201-Q204 PolarHBondContact O-N 3.28Å; D201-Q204 WeakPolarHBondContact OD2-CG 3.49Å; D201-Q204 PolarHBondContact OD2-N 3.39Å; D201-Q204 PolarHBondContact OD2-NE2 3.13Å; Q204-V207 PolarHBondContact O-N 2.84Å; Q204-H208 VanDerWaalsContact O-CB 3.27Å; Q204-H208 WeakPolarHBondContact O-CB 3.13Å; Q204-H208 PolarHBondContact O-N 3.44Å
205	C	63.9	Low	62.6	Low	2 Å²	2	64.6 Å²	64.6	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-63.4	-45.3	175.2	-167.6	0	0	0	0	112	Y190 F199 D201 Q202 H208 I209	Y190-C205 HydrophobicContact CG-CB 4.32Å; F199-C205 HydrophobicContact CB-CB 3.98Å; F199-C205 HydrophobicContact CD2-CB 3.71Å; F199-C205 HydrophobicContact CG-CB 3.95Å; D201-C205 PolarHBondContact O-N 3.05Å; D201-C205 VanDerWaalsContact O-N 3.1Å; Q202-C205 PolarHBondContact O-N 3.5Å; C205-H208 WeakPolarHBondContact O-CB 3.48Å; C205-H208 PolarHBondContact O-N 3.11Å; C205-I209 VanDerWaalsContact O-CG1 3.29Å; C205-I209 WeakPolarHBondContact O-CG1 3.49Å; C205-I209 PolarHBondContact O-N 3.18Å
206	L	58.1	Low	61.2	Low	35 Å²	35	64.7 Å²	64.7	18%	0.183	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-42.5	176.6	-77	166.1	0	0	0	112.5	Q202 I203 I209 L210	Q202-L206 HydrophobicContact CG-CD1 4.11Å; Q202-L206 WeakPolarHBondContact O-CB 3.45Å; Q202-L206 WeakPolarHBondContact O-CG 3.27Å; Q202-L206 PolarHBondContact O-N 3.31Å; I203-L206 PolarHBondContact O-N 2.9Å; L206-I209 PolarHBondContact O-N 2.84Å; L206-L210 VanDerWaalsContact O-CB 3.28Å; L206-L210 WeakPolarHBondContact O-CB 3.46Å; L206-L210 WeakPolarHBondContact O-CD1 3.21Å; L206-L210 WeakPolarHBondContact O-CG 3.48Å; L206-L210 PolarHBondContact O-N 2.8Å
207	V	66	Low	59.7	Low	34 Å²	34	60.1 Å²	60.1	21%	0.206	31%	0.309	C	S	.	.	H	α-helix	trans	-65.5	-39.9	175.7	167.9	0	0	0	0	111	I203 Q204 L210 Y211 I446	I203-V207 HydrophobicContact CG2-CG2 4.21Å; I203-V207 VanDerWaalsContact O-CB 3.3Å; I203-V207 WeakPolarHBondContact O-CB 3.28Å; I203-V207 VanDerWaalsContact O-CG2 3.24Å; I203-V207 WeakPolarHBondContact O-CG2 3.3Å; I203-V207 PolarHBondContact O-N 2.8Å; Q204-V207 PolarHBondContact O-N 2.84Å; V207-L210 PolarHBondContact O-N 2.89Å; V207-Y211 VanDerWaalsContact O-CB 3.3Å; V207-Y211 WeakPolarHBondContact O-CB 3.09Å; V207-Y211 PolarHBondContact O-N 2.91Å; V207-I446 HydrophobicContact CG1-CD1 3.88Å
208	H	72.4	Confident	58.2	Low	17 Å²	17	61.1 Å²	61.1	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-51.1	172.7	169.5	94.6	0	0	0	111.4	C192 C195 E197 F199 Q204 C205 L210 Y211 H212 H213	C192-H208 PolarHBondContact SG-CD2 3.03Å; C192-H208 PolarHBondContact SG-NE2 3.05Å; C192-H208 VanDerWaalsContact SG-NE2 3.39Å; C195-H208 VanDerWaalsContact SG-CE1 3.56Å; C195-H208 PolarHBondContact SG-NE2 3.31Å; E197-H208 IonicContact OE2-CE1 3.33Å; E197-H208 PolarHBondContact OE2-CE1 3.26Å; E197-H208 IonicContact OE2-ND1 2.85Å; E197-H208 PolarHBondContact OE2-ND1 3.09Å; E197-H208 IonicContact OE2-NE2 3.29Å; F199-H208 HydrophobicContact CE1-CB 3.91Å; F199-H208 HydrophobicContact CE2-CB 4.14Å; F199-H208 AromaticContact CE2-CG 3.91Å; F199-H208 HydrophobicContact CZ-CB 3.57Å; F199-H208 AromaticContact CZ-CD2 3.89Å; F199-H208 AromaticContact CZ-CG 3.35Å; F199-H208 AromaticContact CZ-ND1 3.5Å; F199-H208 WeakPolarHBondContact CZ-ND1 3.35Å; Q204-H208 VanDerWaalsContact O-CB 3.27Å; Q204-H208 WeakPolarHBondContact O-CB 3.13Å; Q204-H208 PolarHBondContact O-N 3.44Å; C205-H208 WeakPolarHBondContact O-CB 3.48Å; C205-H208 PolarHBondContact O-N 3.11Å; H208-L210 VanDerWaalsContact C-N 3.32Å; H208-L210 PolarHBondContact O-N 2.92Å; H208-Y211 PolarHBondContact O-N 3Å; H208-H212 AromaticContact ND1-CD2 3.79Å; H208-H212 WeakPolarHBondContact O-CB 3.23Å; H208-H212 PolarHBondContact O-N 2.76Å; H208-H213 AromaticContact NE2-CD2 3.64Å; H208-H213 AromaticContact NE2-NE2 3.37Å; H208-H213 PolarHBondContact NE2-NE2 3.33Å
209	I	65.6	Low	56.9	Low	9 Å²	9	60.8 Å²	60.8	5%	0.046	32%	0.319	C	S	.	.	I	π-helix	trans	-58.4	-45.9	177.8	-68.7	163.3	0	0	0	110.3	C192 C205 L206 Y211 H213 I214 F514	C192-I209 HydrophobicContact CB-CG1 4.45Å; C205-I209 VanDerWaalsContact O-CG1 3.29Å; C205-I209 WeakPolarHBondContact O-CG1 3.49Å; C205-I209 PolarHBondContact O-N 3.18Å; L206-I209 PolarHBondContact O-N 2.84Å; I209-Y211 PolarHBondContact O-N 2.88Å; I209-H213 CarbonylContact O-C 3.57Å; I209-H213 WeakPolarHBondContact O-CA 3.31Å; I209-H213 WeakPolarHBondContact O-CB 3.4Å; I209-H213 PolarHBondContact O-N 3.09Å; I209-H213 VanDerWaalsContact O-N 3.08Å; I209-I214 HydrophobicContact CG2-CD1 3.86Å; I209-I214 HydrophobicContact CG2-CG1 4.41Å; I209-I214 PolarHBondContact O-N 3.02Å; I209-F514 HydrophobicContact CD1-CE2 4.14Å; I209-F514 HydrophobicContact CD1-CZ 4.03Å
210	L	64.3	Low	55.6	Low	32 Å²	32	65.3 Å²	65.3	17%	0.168	35%	0.349	C	S	.	.	I	π-helix	trans	-58.8	-45.3	176.1	-76.8	165.6	0	0	0	112.2	L206 V207 H208 I214 I215 M494	L206-L210 VanDerWaalsContact O-CB 3.28Å; L206-L210 WeakPolarHBondContact O-CB 3.46Å; L206-L210 WeakPolarHBondContact O-CD1 3.21Å; L206-L210 WeakPolarHBondContact O-CG 3.48Å; L206-L210 PolarHBondContact O-N 2.8Å; V207-L210 PolarHBondContact O-N 2.89Å; H208-L210 VanDerWaalsContact C-N 3.32Å; H208-L210 PolarHBondContact O-N 2.92Å; L210-I214 HydrophobicContact CD2-CD1 4.08Å; L210-I214 CarbonylContact O-C 3.6Å; L210-I214 WeakPolarHBondContact O-CB 3.34Å; L210-I214 PolarHBondContact O-N 3.03Å; L210-I215 WeakPolarHBondContact O-CB 3.46Å; L210-I215 VanDerWaalsContact O-CG1 3.23Å; L210-I215 WeakPolarHBondContact O-CG1 3.46Å; L210-I215 PolarHBondContact O-N 3.17Å; L210-M494 HydrophobicContact CD1-CE 4.39Å
211	Y	67.4	Low	54.6	Low	104 Å²	104	67 Å²	67	41%	0.408	35%	0.349	S	S	.	.	I	π-helix	trans	-78.2	-60.4	-176.9	-167.4	-101.4	0	0	0	112.7	V207 H208 I209 T216	V207-Y211 VanDerWaalsContact O-CB 3.3Å; V207-Y211 WeakPolarHBondContact O-CB 3.09Å; V207-Y211 PolarHBondContact O-N 2.91Å; H208-Y211 PolarHBondContact O-N 3Å; I209-Y211 PolarHBondContact O-N 2.88Å; Y211-T216 WeakPolarHBondContact O-CG2 3.46Å; Y211-T216 PolarHBondContact O-N 2.96Å
212	H	66.5	Low	53.4	Low	103 Å²	103	72.3 Å²	72.3	48%	0.477	37%	0.372	S	S	.	.	I	π-helix	trans	-76.8	-22.3	-172.1	-86.4	-82.3	0	0	0	114.8	H208 T216	H208-H212 AromaticContact ND1-CD2 3.79Å; H208-H212 WeakPolarHBondContact O-CB 3.23Å; H208-H212 PolarHBondContact O-N 2.76Å; H212-T216 PolarHBondContact O-OG1 2.93Å
213	H	70.1	Confident	52.2	Low	55 Å²	55	76.3 Å²	76.3	26%	0.255	40%	0.396	S	S	.	.	I	π-helix	trans	-119	-25.9	-177.2	-60.9	-74.8	0	0	0	114.6	C192 G194 H208 I209 T217	C192-H213 PolarHBondContact SG-CD2 2.84Å; C192-H213 PolarHBondContact SG-NE2 2.91Å; C192-H213 VanDerWaalsContact SG-NE2 3.41Å; G194-H213 PolarHBondContact O-CE1 3.45Å; G194-H213 VanDerWaalsContact O-CE1 3.27Å; H208-H213 AromaticContact NE2-CD2 3.64Å; H208-H213 AromaticContact NE2-NE2 3.37Å; H208-H213 PolarHBondContact NE2-NE2 3.33Å; I209-H213 CarbonylContact O-C 3.57Å; I209-H213 WeakPolarHBondContact O-CA 3.31Å; I209-H213 WeakPolarHBondContact O-CB 3.4Å; I209-H213 PolarHBondContact O-N 3.09Å; I209-H213 VanDerWaalsContact O-N 3.08Å; H213-T217 WeakPolarHBondContact O-CG2 3.41Å; H213-T217 PolarHBondContact O-OG1 3.48Å
214	I	54.1	Low	50.9	Low	32 Å²	32	80 Å²	80	16%	0.164	42%	0.416	C	S	.	.	I	π-helix	trans	-109	-29.2	-176.3	-59.9	170.2	0	0	0	114.2	I209 L210 T217 L509	I209-I214 HydrophobicContact CG2-CD1 3.86Å; I209-I214 HydrophobicContact CG2-CG1 4.41Å; I209-I214 PolarHBondContact O-N 3.02Å; L210-I214 HydrophobicContact CD2-CD1 4.08Å; L210-I214 CarbonylContact O-C 3.6Å; L210-I214 WeakPolarHBondContact O-CB 3.34Å; L210-I214 PolarHBondContact O-N 3.03Å; I214-T217 PolarHBondContact O-OG1 3.05Å; I214-L509 HydrophobicContact CD1-CD1 3.85Å; I214-L509 HydrophobicContact CG1-CD1 4.26Å
215	I	49.4	Very low	49.4	Very low	69 Å²	69	84 Å²	84	35%	0.354	44%	0.441	S	S	.	.	I	π-helix	trans	-90.7	-48	178.8	-72.9	166.8	0	0	0	110.9	L210 T217 K218	L210-I215 WeakPolarHBondContact O-CB 3.46Å; L210-I215 VanDerWaalsContact O-CG1 3.23Å; L210-I215 WeakPolarHBondContact O-CG1 3.46Å; L210-I215 PolarHBondContact O-N 3.17Å; I215-T217 PolarHBondContact O-N 3.16Å; I215-K218 PolarHBondContact O-N 3.36Å
216	T	47.6	Very low	47.7	Very low	57 Å²	57	89.9 Å²	89.9	35%	0.35	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-39	172	47.8	0	0	0	0	113.2	Y211 H212 K218 S219	Y211-T216 WeakPolarHBondContact O-CG2 3.46Å; Y211-T216 PolarHBondContact O-N 2.96Å; H212-T216 PolarHBondContact O-OG1 2.93Å; T216-K218 PolarHBondContact O-N 3.26Å; T216-S219 PolarHBondContact O-N 3.45Å; T216-S219 PolarHBondContact O-OG 3.45Å
217	T	40.9	Very low	46.4	Very low	77 Å²	77	95.2 Å²	95.2	47%	0.472	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-12.6	179.7	48.5	0	0	0	0	113.8	H213 I214 I215 I221	H213-T217 WeakPolarHBondContact O-CG2 3.41Å; H213-T217 PolarHBondContact O-OG1 3.48Å; I214-T217 PolarHBondContact O-OG1 3.05Å; I215-T217 PolarHBondContact O-N 3.16Å; T217-I221 VanDerWaalsContact O-CD1 3.24Å; T217-I221 WeakPolarHBondContact O-CD1 3.34Å
218	K	37.1	Very low	44.8	Very low	125 Å²	125	100 Å²	100	54%	0.543	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-32.2	174.3	-70.8	176.6	-176.2	170.3	0	113.7	I215 T216 V220 I221	I215-K218 PolarHBondContact O-N 3.36Å; T216-K218 PolarHBondContact O-N 3.26Å; K218-V220 PolarHBondContact O-N 3.13Å; K218-I221 PolarHBondContact O-N 3.11Å; K218-I221 VanDerWaalsContact O-N 3.09Å
219	S	33.3	Very low	42.7	Very low	101 Å²	101	103.7 Å²	103.7	71%	0.706	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	5.7	-179.4	70.6	0	0	0	0	114.3	T216	T216-S219 PolarHBondContact O-N 3.45Å; T216-S219 PolarHBondContact O-OG 3.45Å
220	V	33.7	Very low	40.9	Very low	124 Å²	124	110.2 Å²	110.2	75%	0.752	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-4.9	176.9	-173	0	0	0	0	111.4	K218	K218-V220 PolarHBondContact O-N 3.13Å
221	I	33.8	Very low	39.3	Very low	136 Å²	136	115 Å²	115	70%	0.697	62%	0.615	S	S	*	*	S	Bend	trans	-116.9	-0.8	-167.4	-57.2	-179	0	0	0	112.8	T217 K218	T217-I221 VanDerWaalsContact O-CD1 3.24Å; T217-I221 WeakPolarHBondContact O-CD1 3.34Å; K218-I221 PolarHBondContact O-N 3.11Å; K218-I221 VanDerWaalsContact O-N 3.09Å
222	Q	28.2	Very low	37.4	Very low	165 Å²	165	115.1 Å²	115.1	77%	0.771	63%	0.632	S	S	*	*			trans	-129.2	95.8	178.2	-64	-171.3	-77.8	0	0	112.4
223	D	28.9	Very low	35.6	Very low	158 Å²	158	115.3 Å²	115.3	85%	0.845	65%	0.645	S	S	*	*	S	Bend	trans	175.5	96.4	145.7	-96	-16.5	0	0	0	109.2
224	N	28.1	Very low	33.7	Very low	164 Å²	164	117.5 Å²	117.5	88%	0.877	67%	0.666	S	S	*	*			trans	-167.9	-27.7	167.1	-105.6	-46.2	0	0	0	113.6	T226	N224-T226 PolarHBondContact O-N 3.43Å
225	D	28.4	Very low	32.5	Very low	166 Å²	166	121.7 Å²	121.7	89%	0.888	69%	0.694	S	S	*	*	S	Bend	trans	-77.3	83.2	177.1	-76.6	-39.7	0	0	0	112.3
226	T	27.4	Very low	31.6	Very low	125 Å²	125	123.3 Å²	123.3	77%	0.767	71%	0.711	S	S	*	*			trans	150.8	111.8	146.1	-67.4	0	0	0	0	110.4	N224	N224-T226 PolarHBondContact O-N 3.43Å
227	I	31.9	Very low	31	Very low	147 Å²	147	125.9 Å²	125.9	75%	0.754	73%	0.731	S	S	*	*			trans	-171	125.7	134.2	-99.9	153.7	0	0	0	109.9
228	N	31.7	Very low	30.6	Very low	134 Å²	134	128 Å²	128	72%	0.717	75%	0.745	S	S	*	*			trans	29.4	101.6	150.4	-51.5	-16.8	0	0	0	117.8
229	S	27.4	Very low	30.2	Very low	95 Å²	95	127.4 Å²	127.4	66%	0.664	76%	0.756	S	S	*	*				76.9	144.1	73.5	78.2	0	0	0	0	116.2
230	L	28.9	Very low	30.2	Very low	146 Å²	146	127.3 Å²	127.3	76%	0.764	76%	0.755	S	S	*	*			trans	84.3	128.8	159.7	-63.7	165.9	0	0	0	119.5
231	N	30.6	Very low	30.1	Very low	131 Å²	131	127.5 Å²	127.5	70%	0.701	76%	0.757	S	S	*	*			trans	82.2	78.5	144.8	-59.1	-12.4	0	0	0	120.7
232	S	27.1	Very low	30.1	Very low	107 Å²	107	127.9 Å²	127.9	75%	0.748	76%	0.759	S	S	*	*				56	141.1	106.7	-52.1	0	0	0	0	122.3
233	S	28.5	Very low	30.4	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	76%	0.755	S	S	*	*			trans	106.2	93.5	146	-49.8	0	0	0	0	119.3
234	S	30.1	Very low	30.6	Very low	102 Å²	102	124 Å²	124	71%	0.713	75%	0.747	S	S	*	*				73.7	138.1	121.8	62.2	0	0	0	0	123.6
235	T	29.4	Very low	30.9	Very low	120 Å²	120	123.7 Å²	123.7	74%	0.736	74%	0.74	S	S	*	*			trans	61.6	111.5	149.4	50.6	0	0	0	0	118.7
236	S	30.3	Very low	31.3	Very low	102 Å²	102	122.2 Å²	122.2	71%	0.713	73%	0.733	S	S	*	*			cis	92	120.2	43.5	72.5	0	0	0	0	115.3
237	S	35.1	Very low	31.6	Very low	112 Å²	112	123.6 Å²	123.6	78%	0.783	74%	0.735	S	S	*	*			trans	-174.2	108.1	149.5	-82.6	0	0	0	0	115.2
238	T	31.9	Very low	31.8	Very low	122 Å²	122	124.2 Å²	124.2	75%	0.748	74%	0.74	S	S	*	*			trans	49.4	126.6	133.2	59.2	0	0	0	0	125.2
239	S	30.6	Very low	31.7	Very low	112 Å²	112	123.3 Å²	123.3	78%	0.783	74%	0.74	S	S	*	*			trans	76.1	148.7	130.2	-62.4	0	0	0	0	120.7
240	S	33.2	Very low	32.2	Very low	99 Å²	99	125.3 Å²	125.3	69%	0.692	75%	0.748	S	S	*	*			cis	-168	136.9	-3.7	37.4	0	0	0	0	114.3
241	T	29.6	Very low	32.3	Very low	128 Å²	128	126.3 Å²	126.3	79%	0.785	75%	0.746	S	S	*	*				48.1	133.2	128.3	-18.8	0	0	0	0	120.6
242	I	35	Very low	32.5	Very low	144 Å²	144	127 Å²	127	74%	0.738	75%	0.749	S	S	*	*				-177.2	140.3	75.7	-86.4	179.8	0	0	0	113.3
243	T	33.7	Very low	32.6	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	75%	0.746	S	S	*	*			trans	5.3	172.6	154	71.5	0	0	0	0	124.9
244	N	32.8	Very low	32.9	Very low	129 Å²	129	127.1 Å²	127.1	69%	0.69	74%	0.74	S	S	*	*			cis	-179.2	178.8	-30.6	-88.6	-4.4	0	0	0	108.8
245	H	36.2	Very low	33.1	Very low	158 Å²	158	132.7 Å²	132.7	73%	0.731	75%	0.747	S	S	*	*			trans	75.8	147.1	165.9	-63.4	-80.6	0	0	0	117.2
246	D	36.5	Very low	33.2	Very low	136 Å²	136	133.7 Å²	133.7	73%	0.727	75%	0.748	S	S	*	*			cis	-153	171.3	-8.7	-116	-20.4	0	0	0	112.3
247	N	32.4	Very low	33.3	Very low	153 Å²	153	138 Å²	138	82%	0.818	76%	0.756	S	S	*	*			trans	-87.9	154.3	174.6	-59	-65.5	0	0	0	112.8
248	D	36.4	Very low	33.1	Very low	160 Å²	160	139.5 Å²	139.5	86%	0.856	76%	0.756	S	S	*	*			trans	-157.4	179.1	138.3	-138.7	-26.9	0	0	0	114.7
249	T	31.2	Very low	33.2	Very low	116 Å²	116	140.4 Å²	140.4	71%	0.712	76%	0.756	S	S	*	*			trans	-135.2	133.4	-148.4	-36.9	0	0	0	0	115.8
250	T	37.3	Very low	33.2	Very low	136 Å²	136	140.8 Å²	140.8	83%	0.834	75%	0.749	S	S	*	*			trans	-177.3	145.8	154	13.8	0	0	0	0	109.4
251	K	31.3	Very low	33.2	Very low	168 Å²	168	142.6 Å²	142.6	73%	0.73	76%	0.756	S	S	*	*			cis	97	96.2	0.3	-159.7	-150.2	170.9	-170.6	0	119.7
252	L	33.8	Very low	32.9	Very low	144 Å²	144	141.3 Å²	141.3	75%	0.754	75%	0.753	S	S	*	*			trans	-173	125	139.1	-118.9	68.9	0	0	0	106.7
253	D	30.3	Very low	32.6	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	76%	0.761	S	S	*	*				60.7	134.8	93.4	-56	-12.9	0	0	0	114
254	S	33.4	Very low	32.1	Very low	87 Å²	87	142.5 Å²	142.5	61%	0.608	76%	0.758	S	S	*	*			cis	-164.3	157.1	3.8	37.4	0	0	0	0	108.6
255	Y	34.2	Very low	31.8	Very low	219 Å²	219	147.9 Å²	147.9	86%	0.859	77%	0.771	S	S	*	*				-174.5	171.1	79.4	-101	-83.3	0	0	0	112.9
256	N	31.7	Very low	31.3	Very low	141 Å²	141	145.7 Å²	145.7	75%	0.754	76%	0.761	S	S	*	*			trans	-67.8	173.4	177.9	-87	-8.4	0	0	0	114.4
257	E	33.1	Very low	30.7	Very low	191 Å²	191	146.7 Å²	146.7	89%	0.893	76%	0.761	S	S	*	*			cis	-136.8	164.6	34	-70.6	178.2	136.9	0	0	116.3
258	N	30.6	Very low	30.4	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	75%	0.749	S	S	*	*			trans	-88	165.1	179.7	-69.7	-57.1	0	0	0	112.3
259	D	33.8	Very low	29.9	Very low	142 Å²	142	142.8 Å²	142.8	76%	0.759	75%	0.746	S	S	*	*				-152.4	130.1	119.6	-126.1	-4.5	0	0	0	116.1
260	N	31.2	Very low	29.8	Very low	119 Å²	119	143 Å²	143	64%	0.636	75%	0.752	S	S	*	*			trans	61.2	119.6	152.4	-63.9	-47.3	0	0	0	126
261	T	31.9	Very low	29.3	Very low	138 Å²	138	141.9 Å²	141.9	85%	0.847	75%	0.751	S	S	*	*			trans	79	98.4	137.9	50.8	0	0	0	0	121
262	S	25	Very low	29.1	Very low	101 Å²	101	138.9 Å²	138.9	71%	0.706	75%	0.748	S	S	*	*			trans	-108	155.5	161.7	172.6	0	0	0	0	110.6
263	C	27.7	Very low	28.8	Very low	135 Å²	135	143 Å²	143	91%	0.912	76%	0.755	S	S	*	*			trans	-140.2	142.5	145	-94.2	0	0	0	0	110.4
264	K	23.6	Very low	28.6	Very low	145 Å²	145	141.2 Å²	141.2	63%	0.63	75%	0.749	S	S	*	*			trans	-103.3	161.1	-176.1	-63.4	174.8	166	-171.6	0	111.9
265	Y	27.1	Very low	28.2	Very low	242 Å²	242	144.4 Å²	144.4	95%	0.949	76%	0.759	S	S	*	*				-136.1	162.1	129.4	-92.1	-77.1	0	0	0	110.4
266	Q	24	Very low	27.8	Very low	111 Å²	111	141.8 Å²	141.8	52%	0.519	76%	0.759	S	S	.	*			trans	-138.2	165.1	-169.8	-73.3	179	-140.5	0	0	112.4
267	H	25.5	Very low	27.4	Very low	157 Å²	157	143.6 Å²	143.6	73%	0.727	76%	0.763	S	S	*	*			trans	82.6	144.8	162.5	-63.2	-64.8	0	0	0	118
268	S	26.1	Very low	27.1	Very low	83 Å²	83	141.4 Å²	141.4	58%	0.58	76%	0.756	S	S	*	*			cis	-158.7	147	-5.5	-117.3	0	0	0	0	115.3
269	N	25.2	Very low	26.9	Very low	148 Å²	148	140.4 Å²	140.4	79%	0.791	76%	0.758	S	S	*	*			trans	38.5	109.3	139	-56.7	-2.4	0	0	0	122.3
270	S	28.4	Very low	26.4	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	76%	0.759	S	S	*	*				169	142.5	119.3	54.4	0	0	0	0	110.4
271	S	27.1	Very low	26.2	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	77%	0.769	S	S	*	*			cis	-154.8	161.7	-11.8	50.3	0	0	0	0	109.5
272	P	28.4	Very low	25.8	Very low	104 Å²	104	141.4 Å²	141.4	68%	0.675	77%	0.765	S	S	*	*			trans	-107.5	162.8	-158.9	40.2	-35.9	0	0	0	116.8
273	Y	25.6	Very low	25.9	Very low	232 Å²	232	142.7 Å²	142.7	91%	0.91	77%	0.768	S	S	*	*			trans	-170.5	85.5	151.5	-105.4	-74.2	0	0	0	108.8
274	T	26.4	Very low	25.8	Very low	93 Å²	93	144.6 Å²	144.6	57%	0.571	76%	0.761	S	S	*	*				66.9	104.6	78.3	67	0	0	0	0	118.1
275	N	24.7	Very low	26	Very low	154 Å²	154	145.7 Å²	145.7	82%	0.824	77%	0.774	S	S	*	*			trans	66.4	149.2	145.9	-50.7	-18	0	0	0	117.6
276	I	26.4	Very low	25.8	Very low	164 Å²	164	139.8 Å²	139.8	84%	0.841	76%	0.763	S	S	*	*				-150.5	168.4	50.5	-78.1	170.3	0	0	0	112.3
277	Q	23.8	Very low	26	Very low	179 Å²	179	141.4 Å²	141.4	84%	0.836	78%	0.78	S	S	*	*			trans	-61.8	170.9	-171.2	-75.1	155.4	-67.2	0	0	119.7
278	L	26.9	Very low	25.9	Very low	145 Å²	145	138.8 Å²	138.8	76%	0.759	78%	0.775	S	S	*	*			trans	-64.7	173.4	176	-58.8	76.7	0	0	0	114
279	P	26.5	Very low	26	Very low	123 Å²	123	143.3 Å²	143.3	80%	0.799	79%	0.792	S	S	*	*				-136.2	161.6	103.7	39.3	-31	0	0	0	115.7
280	D	23.1	Very low	25.9	Very low	146 Å²	146	143 Å²	143	78%	0.781	78%	0.784	S	S	*	*			trans	-68.8	142.6	177.2	-58.6	-88.6	0	0	0	114.6
281	I	26.5	Very low	25.8	Very low	165 Å²	165	144.2 Å²	144.2	85%	0.846	78%	0.776	S	S	*	*			trans	-136.2	120.3	146.5	-58	-176.9	0	0	0	109.4
282	S	23.1	Very low	25.7	Very low	109 Å²	109	147.2 Å²	147.2	76%	0.762	78%	0.778	S	S	*	*			trans	-87.9	129.1	176.8	175.4	0	0	0	0	112.1
283	T	27.6	Very low	25.5	Very low	127 Å²	127	148.9 Å²	148.9	78%	0.779	79%	0.786	S	S	*	*			trans	-147.2	104.6	149	-5.1	0	0	0	0	113.6
284	K	25.6	Very low	25.5	Very low	176 Å²	176	143.2 Å²	143.2	77%	0.765	78%	0.775	S	S	*	*			trans	8.6	123.9	144.6	-58.7	167	-178.3	172.8	0	117.4
285	N	27.5	Very low	25.4	Very low	168 Å²	168	145 Å²	145	90%	0.898	78%	0.781	S	S	*	*				-150.9	121.5	115.4	-100.5	-26.9	0	0	0	110.3
286	T	23.5	Very low	25.4	Very low	117 Å²	117	145.7 Å²	145.7	72%	0.718	78%	0.784	S	S	*	*			trans	-128.9	113.7	-178.5	-58.1	0	0	0	0	108.6	V288	T286-V288 HydrophobicContact CG2-CG2 3.96Å
287	T	28.6	Very low	25.3	Very low	145 Å²	145	144.1 Å²	144.1	89%	0.89	78%	0.776	S	S	*	*			trans	-120.6	97.2	165.3	43.9	0	0	0	0	108.5
288	V	23.2	Very low	25.3	Very low	102 Å²	102	140.6 Å²	140.6	62%	0.618	77%	0.767	S	S	*	*			trans	-72.3	132.5	173.5	165.6	0	0	0	0	109.4	T286 K290	T286-V288 HydrophobicContact CG2-CG2 3.96Å; V288-K290 HydrophobicContact CG1-CB 3.69Å; V288-K290 HydrophobicContact CG1-CD 4.31Å; V288-K290 HydrophobicContact CG1-CG 3.96Å
289	L	27.1	Very low	25.2	Very low	178 Å²	178	143.9 Å²	143.9	93%	0.932	77%	0.771	S	S	*	*			trans	-112.8	140.8	146.2	-100.5	163.2	0	0	0	107.5
290	K	24.6	Very low	25	Very low	142 Å²	142	143.3 Å²	143.3	62%	0.617	77%	0.766	S	S	*	*			trans	-139.6	143.2	-155.9	-148.4	-172.1	179.5	-131.3	0	110.3	V288	V288-K290 HydrophobicContact CG1-CB 3.69Å; V288-K290 HydrophobicContact CG1-CD 4.31Å; V288-K290 HydrophobicContact CG1-CG 3.96Å
291	E	25	Very low	25.1	Very low	145 Å²	145	143.5 Å²	143.5	68%	0.678	77%	0.767	S	S	*	*			trans	65.2	155.8	167.1	-72.8	142.4	-166.8	0	0	114.4
292	Q	26.2	Very low	25.1	Very low	178 Å²	178	143.8 Å²	143.8	83%	0.832	77%	0.77	S	S	*	*			cis	-125.1	146.2	17.6	-68.1	171.7	-19.2	0	0	113.6
293	T	23.6	Very low	25.1	Very low	139 Å²	139	145.8 Å²	145.8	85%	0.853	77%	0.772	S	S	*	*			trans	-96	130.9	162	48.8	0	0	0	0	110
294	T	26.3	Very low	25.3	Very low	112 Å²	112	144.4 Å²	144.4	69%	0.687	77%	0.765	S	S	*	*			trans	-149.1	124.7	168	15	0	0	0	0	113
295	D	24.9	Very low	25.2	Very low	130 Å²	130	140.7 Å²	140.7	70%	0.695	76%	0.762	S	S	*	*			trans	59.5	76.8	137.2	-52.7	-13.9	0	0	0	120.2	I297	D295-I297 PolarHBondContact O-N 3.39Å
296	L	22.8	Very low	25	Very low	169 Å²	169	139.8 Å²	139.8	89%	0.885	76%	0.756	S	S	*	*				4.5	98.1	114.2	-160.9	88.5	0	0	0	116.4
297	I	25.3	Very low	25.2	Very low	131 Å²	131	141.3 Å²	141.3	67%	0.672	76%	0.755	S	S	*	*			trans	-122.7	110.2	165.6	-60.6	-177.7	0	0	0	111.8	D295 Y299	D295-I297 PolarHBondContact O-N 3.39Å; I297-Y299 HydrophobicContact CG2-CD2 3.86Å; I297-Y299 HydrophobicContact CG2-CE2 3.51Å
298	T	22.9	Very low	25.2	Very low	106 Å²	106	142.4 Å²	142.4	65%	0.65	75%	0.749	S	S	*	*			trans	-72.1	132.8	169.5	-58.4	0	0	0	0	111.4	T300	T298-T300 HydrophobicContact CG2-CG2 3.96Å
299	Y	25	Very low	25.2	Very low	213 Å²	213	148 Å²	148	84%	0.835	76%	0.761	S	S	*	*			trans	-121.5	104.2	162.5	-88	-74.5	0	0	0	112	I297	I297-Y299 HydrophobicContact CG2-CD2 3.86Å; I297-Y299 HydrophobicContact CG2-CE2 3.51Å
300	T	23.6	Very low	25.2	Very low	112 Å²	112	145 Å²	145	69%	0.687	75%	0.753	S	S	*	*			trans	-93.6	144.9	172.2	47.5	0	0	0	0	111.9	T298	T298-T300 HydrophobicContact CG2-CG2 3.96Å
301	N	23.5	Very low	25.2	Very low	149 Å²	149	143.7 Å²	143.7	80%	0.797	75%	0.752	S	S	*	*			trans	17.3	123.8	152.1	-63.2	-18.6	0	0	0	119
302	N	27.1	Very low	25.2	Very low	171 Å²	171	146.2 Å²	146.2	91%	0.914	76%	0.764	S	S	*	*				-155.5	144.4	129.2	-96	-38.7	0	0	0	112.4
303	N	23.8	Very low	25	Very low	151 Å²	151	141.5 Å²	141.5	81%	0.807	75%	0.75	S	S	*	*			trans	-145.3	163.7	178.5	-155.4	11.6	0	0	0	104.5
304	P	30.6	Very low	25	Very low	99 Å²	99	142.2 Å²	142.2	64%	0.643	75%	0.749	S	S	*	*			cis	-133.5	-174.3	-4.9	38.8	-19.5	0	0	0	114.4
305	S	24.5	Very low	24.9	Very low	98 Å²	98	144.8 Å²	144.8	69%	0.685	76%	0.757	S	S	*	*				143.6	142.6	115.1	67.7	0	0	0	0	118.1
306	L	23.8	Very low	24.8	Very low	149 Å²	149	145 Å²	145	78%	0.78	76%	0.758	S	S	*	*			trans	72.9	148.3	145.9	-73.6	162.2	0	0	0	122.6
307	H	27.1	Very low	24.7	Very low	149 Å²	149	144.5 Å²	144.5	69%	0.69	75%	0.754	S	S	*	*			trans	65.2	135	175.5	-61.9	-81.4	0	0	0	118.1
308	E	27.4	Very low	24.6	Very low	167 Å²	167	145.5 Å²	145.5	78%	0.78	76%	0.756	S	S	*	*			cis	-158.6	159.2	-24.9	-140.3	157.9	-170	0	0	110.1
309	Y	23.5	Very low	24.5	Very low	219 Å²	219	148 Å²	148	86%	0.859	77%	0.766	S	S	*	*			trans	-104.7	155.9	179.6	-108.6	-82.3	0	0	0	109.8
310	P	27.4	Very low	24.5	Very low	117 Å²	117	143.9 Å²	143.9	76%	0.76	76%	0.758	S	S	*	*				-150.9	175.1	84.3	40.3	-21.3	0	0	0	117.8
311	D	24.2	Very low	24.4	Very low	113 Å²	113	144.3 Å²	144.3	60%	0.604	77%	0.765	S	S	*	*			trans	-25.6	139.7	171.7	-76.8	-88.4	0	0	0	119.8	S313	D311-S313 PolarHBondContact OD1-OG 3.36Å
312	H	25.6	Very low	24.4	Very low	199 Å²	199	144.3 Å²	144.3	92%	0.921	76%	0.764	S	S	*	*				-133.2	94	122.1	-91.3	-66.7	0	0	0	111.2
313	S	22.6	Very low	24.2	Very low	78 Å²	78	143.1 Å²	143.1	55%	0.545	76%	0.757	S	S	.	*			trans	-78.8	156.8	164.6	-66.8	0	0	0	0	111.1	D311	D311-S313 PolarHBondContact OD1-OG 3.36Å
314	N	23.5	Very low	24.2	Very low	155 Å²	155	143 Å²	143	83%	0.829	75%	0.754	S	S	*	*			trans	81.2	110	178	-43.5	-59.3	0	0	0	116.6
315	L	23.9	Very low	23.9	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	76%	0.758	S	S	*	*				-163.2	128.3	122.8	-103.5	156.4	0	0	0	110.9
316	L	22.3	Very low	24	Very low	135 Å²	135	145.5 Å²	145.5	71%	0.707	76%	0.763	S	S	*	*			trans	-12.7	123.7	161.4	-71.7	143.5	0	0	0	115.3
317	I	20.9	Very low	24.1	Very low	158 Å²	158	145.3 Å²	145.3	81%	0.81	76%	0.763	S	S	*	*				32	84.1	74.8	-49.5	-178.7	0	0	0	112.4
318	Q	23.5	Very low	24.1	Very low	152 Å²	152	148.3 Å²	148.3	71%	0.71	77%	0.768	S	S	*	*			trans	-141.4	115.3	157.3	-157.1	164.4	-42.3	0	0	109.7	D320	Q318-D320 WeakPolarHBondContact CG-OD2 3.47Å; Q318-D320 PolarHBondContact NE2-OD2 3.25Å
319	N	21.8	Very low	24.1	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	76%	0.762	S	S	*	*			trans	-80.4	113.7	166.2	-72.3	-20.6	0	0	0	107
320	D	24.3	Very low	24.2	Very low	126 Å²	126	142.6 Å²	142.6	67%	0.674	76%	0.757	S	S	*	*			trans	-138.2	89.9	166.7	-88.9	-53.3	0	0	0	110.6	Q318 N322	Q318-D320 WeakPolarHBondContact CG-OD2 3.47Å; Q318-D320 PolarHBondContact NE2-OD2 3.25Å; D320-N322 PolarHBondContact O-N 3.02Å
321	C	21.7	Very low	24.4	Very low	122 Å²	122	142.1 Å²	142.1	82%	0.824	76%	0.764	S	S	*	*			trans	-77.3	105.4	155.2	-61.3	0	0	0	0	107.5
322	N	22.4	Very low	24.4	Very low	148 Å²	148	145.3 Å²	145.3	79%	0.791	77%	0.772	S	S	*	*			trans	175.1	155.4	140.1	-93.3	-38.9	0	0	0	115.3	D320	D320-N322 PolarHBondContact O-N 3.02Å
323	L	23.8	Very low	24.3	Very low	147 Å²	147	142.6 Å²	142.6	77%	0.77	76%	0.763	S	S	*	*			trans	71.1	100.9	148.9	-101.7	58.1	0	0	0	122
324	M	24	Very low	24.5	Very low	148 Å²	148	146.7 Å²	146.7	73%	0.729	78%	0.779	S	S	*	*				68.5	118.4	118.5	-67.4	-67.8	178.3	0	0	121.7
325	N	23.4	Very low	24.7	Very low	137 Å²	137	147.3 Å²	147.3	73%	0.733	78%	0.777	S	S	*	*			trans	56.9	103.3	133.3	-60.2	-9.7	0	0	0	120.1
326	S	27.1	Very low	24.7	Very low	112 Å²	112	145.9 Å²	145.9	78%	0.783	77%	0.769	S	S	*	*				-158.9	111	122.2	-84.6	0	0	0	0	113
327	N	25.6	Very low	25	Very low	146 Å²	146	144.9 Å²	144.9	78%	0.781	77%	0.773	S	S	*	*			trans	22.3	117.3	135.3	-41	-30.1	0	0	0	116
328	R	26.8	Very low	25.4	Very low	212 Å²	212	143.8 Å²	143.8	80%	0.8	77%	0.769	S	S	*	*				-174.1	144.2	73.7	-94.2	-168.9	142.8	106.9	3.8	114.6
329	D	27.4	Very low	25.7	Very low	121 Å²	121	142 Å²	142	65%	0.647	76%	0.76	S	S	*	*				59.1	124.3	129.6	-44.3	-14.7	0	0	0	121.6
330	D	26	Very low	25.9	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	75%	0.753	S	S	*	*			trans	65.2	80.7	149.3	-64.7	-37.4	0	0	0	122.5
331	A	30.8	Very low	26.2	Very low	108 Å²	108	142.4 Å²	142.4	89%	0.893	76%	0.757	S	S	*	*			trans	-141.3	109.8	142.6	0	0	0	0	0	110.8
332	K	25.6	Very low	26.6	Very low	179 Å²	179	140.1 Å²	140.1	78%	0.778	74%	0.736	S	S	*	*			trans	-98	152.2	-175.9	-80.2	179.1	179.6	170	0	113.1
333	L	23.8	Very low	26.9	Very low	142 Å²	142	137.3 Å²	137.3	74%	0.743	72%	0.721	S	S	*	*			trans	61.1	111.5	159.8	-94.4	65.6	0	0	0	118
334	N	26	Very low	27	Very low	164 Å²	164	136.4 Å²	136.4	88%	0.877	72%	0.716	S	S	*	*				175.5	15.7	126.5	-90.1	-11.5	0	0	0	114.9
335	Q	27.9	Very low	27.4	Very low	168 Å²	168	134.5 Å²	134.5	79%	0.785	71%	0.706	S	S	*	*			trans	-98.6	16.6	-167.9	-147.2	171.1	17.6	0	0	116.2
336	I	24.6	Very low	27.7	Very low	135 Å²	135	131.3 Å²	131.3	69%	0.692	69%	0.694	S	S	*	*			trans	-84.3	-25	-164.7	-65.9	176.4	0	0	0	114.1	N338	I336-N338 PolarHBondContact O-N 2.81Å
337	S	27.6	Very low	27.8	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-17.3	-164.3	-159.5	0	0	0	0	117
338	N	29.3	Very low	28.2	Very low	135 Å²	135	127.7 Å²	127.7	72%	0.722	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-15.2	-174.5	-73	-1	0	0	0	114.5	I336 Q340	I336-N338 PolarHBondContact O-N 2.81Å; N338-Q340 PolarHBondContact O-N 2.97Å
339	H	29.5	Very low	28.5	Very low	114 Å²	114	121.6 Å²	121.6	53%	0.528	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.8	-10.5	-173.9	-81.7	-75.9	0	0	0	114.7
340	Q	26.8	Very low	28.7	Very low	147 Å²	147	123.8 Å²	123.8	69%	0.687	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-17.4	-171.6	-154.2	151.4	9.5	0	0	114.1	N338	N338-Q340 PolarHBondContact O-N 2.97Å
341	L	30.1	Very low	28.9	Very low	148 Å²	148	125.7 Å²	125.7	78%	0.775	68%	0.676	S	S	*	*	S	Bend	trans	-75	-38.8	172.6	-97.3	157.2	0	0	0	112.8	I343 N344	L341-I343 PolarHBondContact O-N 3.41Å; L341-I343 VanDerWaalsContact O-N 3.13Å; L341-N344 PolarHBondContact O-N 3.35Å
342	L	30.9	Very low	29.1	Very low	73 Å²	73	125.9 Å²	125.9	38%	0.382	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63	-17.8	-177.7	-87.1	158.3	0	0	0	114.6	M396	L342-M396 HydrophobicContact CD2-CE 4.46Å
343	I	27.6	Very low	30	Very low	90 Å²	90	121.5 Å²	121.5	46%	0.462	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-31.9	-176.5	-63.1	174.7	0	0	0	111.3	L341 S346	L341-I343 PolarHBondContact O-N 3.41Å; L341-I343 VanDerWaalsContact O-N 3.13Å; I343-S346 WeakPolarHBondContact O-CB 3.47Å; I343-S346 PolarHBondContact O-OG 3.11Å
344	N	27.4	Very low	31	Very low	127 Å²	127	120.5 Å²	120.5	68%	0.679	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-79.2	-26.8	-176.4	-71.6	-5.7	0	0	0	113.6	L341 S346 S347	L341-N344 PolarHBondContact O-N 3.35Å; N344-S346 PolarHBondContact O-N 2.78Å; N344-S347 PolarHBondContact O-OG 3.36Å
345	E	32	Very low	32.2	Very low	108 Å²	108	116.6 Å²	116.6	51%	0.505	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-74.3	-9.8	178.2	-63.2	-165.9	127.2	0	0	113.3	S347 S348	E345-S347 PolarHBondContact O-N 3.05Å; E345-S348 PolarHBondContact O-N 2.87Å; E345-S348 VanDerWaalsContact O-N 3.12Å; E345-S348 PolarHBondContact O-OG 3.27Å
346	S	29.3	Very low	33.3	Very low	71 Å²	71	112.3 Å²	112.3	50%	0.497	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-55.9	-18.3	176.1	61.4	0	0	0	0	114.8	I343 N344	I343-S346 WeakPolarHBondContact O-CB 3.47Å; I343-S346 PolarHBondContact O-OG 3.11Å; N344-S346 PolarHBondContact O-N 2.78Å
347	S	29	Very low	34.7	Very low	110 Å²	110	107.9 Å²	107.9	77%	0.769	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-86.2	-16.6	-179.6	60.5	0	0	0	0	115.2	N344 E345	N344-S347 PolarHBondContact O-OG 3.36Å; E345-S347 PolarHBondContact O-N 3.05Å
348	S	33.7	Very low	36	Very low	71 Å²	71	107 Å²	107	50%	0.497	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-11.3	-173.6	62.7	0	0	0	0	114.7	E345 N350 K351	E345-S348 PolarHBondContact O-N 2.87Å; E345-S348 VanDerWaalsContact O-N 3.12Å; E345-S348 PolarHBondContact O-OG 3.27Å; S348-N350 PolarHBondContact O-N 2.91Å; S348-K351 PolarHBondContact O-N 3.39Å
349	I	33.8	Very low	37.2	Very low	84 Å²	84	102.8 Å²	102.8	43%	0.431	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.7	-169.1	-62.5	176.1	0	0	0	113.9	K351 F352	I349-K351 VanDerWaalsContact C-N 3.29Å; I349-K351 PolarHBondContact O-N 3.31Å; I349-F352 HydrophobicContact CG2-CE2 4.46Å; I349-F352 WeakPolarHBondContact O-CD2 3.16Å
350	N	31.4	Very low	38.6	Very low	168 Å²	168	97.5 Å²	97.5	90%	0.898	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	2.9	177.7	-74.1	-29.4	0	0	0	115.1	S348	S348-N350 PolarHBondContact O-N 2.91Å
351	K	30.1	Very low	40	Very low	184 Å²	184	95.4 Å²	95.4	80%	0.8	49%	0.49	S	S	*	.			trans	-111.9	81.1	164.1	-76.8	-173.2	176.2	-178.9	0	109.7	S348 I349 D353	S348-K351 PolarHBondContact O-N 3.39Å; I349-K351 VanDerWaalsContact C-N 3.29Å; I349-K351 PolarHBondContact O-N 3.31Å; K351-D353 VanDerWaalsContact C-N 3.3Å; K351-D353 PolarHBondContact O-N 2.91Å
352	F	35.3	Very low	41.3	Very low	112 Å²	112	88.5 Å²	88.5	49%	0.491	46%	0.455	S	S	.	.			trans	-70.2	91.7	168.5	-108.5	-84.9	0	0	0	110.1	I349 L389 L393	I349-F352 HydrophobicContact CG2-CE2 4.46Å; I349-F352 WeakPolarHBondContact O-CD2 3.16Å; F352-L389 HydrophobicContact CD1-CD2 4.48Å; F352-L389 HydrophobicContact CE1-CD2 4.34Å; F352-L393 HydrophobicContact CD2-CD2 4.23Å; F352-L393 HydrophobicContact CE1-CD1 3.76Å; F352-L393 HydrophobicContact CE1-CD2 4.16Å; F352-L393 HydrophobicContact CE1-CG 4.31Å; F352-L393 HydrophobicContact CE2-CD1 4.41Å; F352-L393 HydrophobicContact CE2-CD2 3.61Å; F352-L393 HydrophobicContact CE2-CG 4.07Å; F352-L393 HydrophobicContact CZ-CD1 3.54Å; F352-L393 HydrophobicContact CZ-CD2 3.59Å; F352-L393 HydrophobicContact CZ-CG 3.64Å
353	D	45	Very low	42.8	Very low	86 Å²	86	85.5 Å²	85.5	46%	0.46	44%	0.439	S	S	.	.			trans	-78.1	136.5	-170.3	-165.8	13.5	0	0	0	111.3	K351 N355 Y356	K351-D353 VanDerWaalsContact C-N 3.3Å; K351-D353 PolarHBondContact O-N 2.91Å; D353-N355 PolarHBondContact O-N 3.1Å; D353-N355 PolarHBondContact OD2-ND2 3.39Å; D353-Y356 PolarHBondContact O-N 3.34Å; D353-Y356 VanDerWaalsContact O-N 3.13Å
354	Q	44.8	Very low	44.3	Very low	122 Å²	122	81.9 Å²	81.9	57%	0.57	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.7	-172.8	-61.8	-176.9	0.2	0	0	112.1	Y356 T357 Y358	Q354-Y356 PolarHBondContact O-N 3.48Å; Q354-T357 PolarHBondContact O-N 3.34Å; Q354-T357 VanDerWaalsContact O-N 3.16Å; Q354-Y358 HydrophobicContact CB-CD2 4.2Å; Q354-Y358 HydrophobicContact CB-CE2 3.82Å; Q354-Y358 WeakPolarHBondContact O-CD2 3.45Å; Q354-Y358 PolarHBondContact O-N 3.28Å
355	N	50.2	Low	45.9	Very low	81 Å²	81	79.4 Å²	79.4	43%	0.433	40%	0.404	S	S	.	.	H	α-helix	trans	-47.4	-37.7	172.9	-75.1	-42.2	0	0	0	114.3	D353 T357 Y358 Q359	D353-N355 PolarHBondContact O-N 3.1Å; D353-N355 PolarHBondContact OD2-ND2 3.39Å; N355-T357 PolarHBondContact O-N 3.3Å; N355-Y358 PolarHBondContact O-N 3.02Å; N355-Q359 WeakPolarHBondContact O-CB 3.31Å; N355-Q359 VanDerWaalsContact O-CG 3.25Å; N355-Q359 WeakPolarHBondContact O-CG 3.49Å; N355-Q359 PolarHBondContact O-N 3.22Å
356	Y	52.1	Low	47.4	Very low	79 Å²	79	74.5 Å²	74.5	31%	0.31	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-41.5	179.8	-90.5	-77.6	0	0	0	113	K131 L132 D353 Q354 L360	K131-Y356 PolarHBondContact O-OH 3.27Å; L132-Y356 HydrophobicContact CD1-CD1 3.87Å; L132-Y356 HydrophobicContact CD1-CE1 4.19Å; D353-Y356 PolarHBondContact O-N 3.34Å; D353-Y356 VanDerWaalsContact O-N 3.13Å; Q354-Y356 PolarHBondContact O-N 3.48Å; Y356-L360 WeakPolarHBondContact O-CB 3.41Å; Y356-L360 PolarHBondContact O-N 3.31Å
357	T	53.4	Low	49	Very low	41 Å²	41	71.2 Å²	71.2	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-69.5	-40.2	178.2	-53.3	0	0	0	0	111.1	Q354 N355 Q361 I385	Q354-T357 PolarHBondContact O-N 3.34Å; Q354-T357 VanDerWaalsContact O-N 3.16Å; N355-T357 PolarHBondContact O-N 3.3Å; T357-Q361 VanDerWaalsContact O-CB 3.27Å; T357-Q361 WeakPolarHBondContact O-CB 3.4Å; T357-Q361 PolarHBondContact O-N 3.33Å; T357-I385 HydrophobicContact CG2-CG2 4.14Å
358	Y	54.5	Low	50.4	Low	95 Å²	95	66.9 Å²	66.9	37%	0.373	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-40.5	176.1	-66.7	-58.9	0	0	0	112.9	Q354 N355 Q361 S362	Q354-Y358 HydrophobicContact CB-CD2 4.2Å; Q354-Y358 HydrophobicContact CB-CE2 3.82Å; Q354-Y358 WeakPolarHBondContact O-CD2 3.45Å; Q354-Y358 PolarHBondContact O-N 3.28Å; N355-Y358 PolarHBondContact O-N 3.02Å; Y358-Q361 PolarHBondContact O-N 3.17Å; Y358-S362 WeakPolarHBondContact O-CB 3.29Å; Y358-S362 PolarHBondContact O-N 3.21Å; Y358-S362 PolarHBondContact O-OG 3.3Å
359	Q	54.9	Low	51.6	Low	48 Å²	48	65.3 Å²	65.3	22%	0.224	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-51.1	173.7	-75.3	173.9	15	0	0	110.7	L132 N355 Q361 S362 I363	L132-Q359 HydrophobicContact CD1-CB 4.37Å; N355-Q359 WeakPolarHBondContact O-CB 3.31Å; N355-Q359 VanDerWaalsContact O-CG 3.25Å; N355-Q359 WeakPolarHBondContact O-CG 3.49Å; N355-Q359 PolarHBondContact O-N 3.22Å; Q359-Q361 VanDerWaalsContact C-N 3.34Å; Q359-Q361 PolarHBondContact O-N 3.03Å; Q359-S362 WeakPolarHBondContact O-CB 3.48Å; Q359-S362 PolarHBondContact O-N 3.42Å; Q359-S362 VanDerWaalsContact O-N 3.09Å; Q359-I363 VanDerWaalsContact O-CG1 3.29Å; Q359-I363 WeakPolarHBondContact O-CG1 3.22Å; Q359-I363 PolarHBondContact O-N 2.66Å
360	L	58.5	Low	52.8	Low	2 Å²	2	61.4 Å²	61.4	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-38.1	179.4	-173.5	53.9	0	0	0	112.4	L132 F140 Y356 S362 I363 I364 I385	L132-L360 HydrophobicContact CD2-CD1 4.28Å; F140-L360 HydrophobicContact CD2-CD1 3.72Å; F140-L360 HydrophobicContact CD2-CD2 4.22Å; F140-L360 HydrophobicContact CD2-CG 4.28Å; F140-L360 HydrophobicContact CE2-CD1 4.15Å; F140-L360 HydrophobicContact CE2-CD2 4.43Å; F140-L360 HydrophobicContact CE2-CG 4.35Å; F140-L360 HydrophobicContact CG-CD1 3.96Å; Y356-L360 WeakPolarHBondContact O-CB 3.41Å; Y356-L360 PolarHBondContact O-N 3.31Å; L360-S362 VanDerWaalsContact C-N 3.32Å; L360-S362 PolarHBondContact O-N 2.81Å; L360-I363 PolarHBondContact O-N 3.02Å; L360-I364 WeakPolarHBondContact O-CB 3.2Å; L360-I364 VanDerWaalsContact O-CG1 3.25Å; L360-I364 WeakPolarHBondContact O-CG1 3.25Å; L360-I364 PolarHBondContact O-N 2.87Å; L360-I385 HydrophobicContact CD2-CG2 4.02Å
361	Q	56.5	Low	54	Low	103 Å²	103	53.4 Å²	53.4	48%	0.481	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-33.2	173.3	-174.7	175.9	-38.2	0	0	113.1	T357 Y358 Q359 I364 H365	T357-Q361 VanDerWaalsContact O-CB 3.27Å; T357-Q361 WeakPolarHBondContact O-CB 3.4Å; T357-Q361 PolarHBondContact O-N 3.33Å; Y358-Q361 PolarHBondContact O-N 3.17Å; Q359-Q361 VanDerWaalsContact C-N 3.34Å; Q359-Q361 PolarHBondContact O-N 3.03Å; Q361-I364 WeakPolarHBondContact O-CB 3.32Å; Q361-H365 PolarHBondContact O-N 3.09Å
362	S	56.9	Low	55.2	Low	4 Å²	4	50.3 Å²	50.3	3%	0.028	23%	0.234	C	C	.	.	H	α-helix	trans	-74.5	-39.7	177	-57.2	0	0	0	0	111.7	S107 I108 Y358 Q359 L360 I364 H365 F366	S107-S362 WeakPolarHBondContact CB-OG 3.45Å; S107-S362 PolarHBondContact O-OG 3.24Å; S107-S362 WeakPolarHBondContact OG-CB 3.36Å; S107-S362 PolarHBondContact OG-OG 3.47Å; I108-S362 VanDerWaalsContact CG1-OG 3.24Å; I108-S362 WeakPolarHBondContact CG1-OG 3.26Å; Y358-S362 WeakPolarHBondContact O-CB 3.29Å; Y358-S362 PolarHBondContact O-N 3.21Å; Y358-S362 PolarHBondContact O-OG 3.3Å; Q359-S362 WeakPolarHBondContact O-CB 3.48Å; Q359-S362 PolarHBondContact O-N 3.42Å; Q359-S362 VanDerWaalsContact O-N 3.09Å; L360-S362 VanDerWaalsContact C-N 3.32Å; L360-S362 PolarHBondContact O-N 2.81Å; S362-I364 VanDerWaalsContact C-N 3.35Å; S362-H365 PolarHBondContact O-N 3.37Å; S362-H365 VanDerWaalsContact O-N 3.1Å; S362-F366 PolarHBondContact O-N 3.44Å
363	I	62	Low	55.9	Low	9 Å²	9	49 Å²	49	5%	0.046	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-44.3	171.3	-67.1	171.1	0	0	0	110.4	L127 L132 L137 Q359 L360 H365 F366 L367	L127-I363 HydrophobicContact CD2-CD1 3.93Å; L127-I363 HydrophobicContact CD2-CG1 3.71Å; L127-I363 HydrophobicContact CD2-CG2 4.45Å; L132-I363 HydrophobicContact CD2-CD1 3.98Å; L137-I363 HydrophobicContact CD1-CD1 4.22Å; L137-I363 HydrophobicContact CD2-CG2 3.87Å; Q359-I363 VanDerWaalsContact O-CG1 3.29Å; Q359-I363 WeakPolarHBondContact O-CG1 3.22Å; Q359-I363 PolarHBondContact O-N 2.66Å; L360-I363 PolarHBondContact O-N 3.02Å; I363-H365 VanDerWaalsContact C-N 3.29Å; I363-H365 PolarHBondContact O-N 3.18Å; I363-F366 PolarHBondContact O-N 3.31Å; I363-L367 HydrophobicContact CG2-CD1 3.95Å; I363-L367 HydrophobicContact CG2-CG 4.38Å; I363-L367 WeakPolarHBondContact O-CB 3.5Å; I363-L367 VanDerWaalsContact O-CG 3.27Å; I363-L367 WeakPolarHBondContact O-CG 3.38Å; I363-L367 PolarHBondContact O-N 3.29Å
364	I	60.4	Low	55.9	Low	14 Å²	14	47.1 Å²	47.1	7%	0.072	23%	0.227	C	C	.	.	H	α-helix	trans	-52.7	-48.3	170.2	-77.2	164.8	0	0	0	111	F140 L360 Q361 S362 S368 W380 L383 I385	F140-I364 HydrophobicContact CD1-CG1 4.45Å; F140-I364 HydrophobicContact CE1-CD1 4.1Å; F140-I364 HydrophobicContact CE1-CG1 3.42Å; F140-I364 VanDerWaalsContact CE1-CG1 3.42Å; F140-I364 HydrophobicContact CE2-CD1 3.81Å; F140-I364 HydrophobicContact CE2-CG1 4.05Å; F140-I364 HydrophobicContact CZ-CD1 3.33Å; F140-I364 HydrophobicContact CZ-CG1 3.2Å; L360-I364 WeakPolarHBondContact O-CB 3.2Å; L360-I364 VanDerWaalsContact O-CG1 3.25Å; L360-I364 WeakPolarHBondContact O-CG1 3.25Å; L360-I364 PolarHBondContact O-N 2.87Å; Q361-I364 WeakPolarHBondContact O-CB 3.32Å; S362-I364 VanDerWaalsContact C-N 3.35Å; I364-S368 VanDerWaalsContact O-CB 3.3Å; I364-S368 WeakPolarHBondContact O-CB 3.24Å; I364-S368 PolarHBondContact O-N 3.44Å; I364-W380 HydrophobicContact CB-CZ3 4.44Å; I364-W380 HydrophobicContact CG1-CE3 4.44Å; I364-W380 HydrophobicContact CG1-CZ3 4.15Å; I364-W380 HydrophobicContact CG2-CD2 3.88Å; I364-W380 HydrophobicContact CG2-CE3 3.44Å; I364-W380 VanDerWaalsContact CG2-CE3 3.44Å; I364-W380 HydrophobicContact CG2-CH2 4.34Å; I364-W380 HydrophobicContact CG2-CZ3 3.71Å; I364-L383 HydrophobicContact CD1-CD2 4.25Å; I364-I385 HydrophobicContact CD1-CD1 3.71Å; I364-I385 HydrophobicContact CD1-CG1 4.1Å
365	H	59.2	Low	56.2	Low	75 Å²	75	41.3 Å²	41.3	35%	0.347	20%	0.199	S	C	.	.	H	α-helix	trans	-65.9	-44.4	-177.6	-166.3	14.8	0	0	0	111.7	Q361 S362 I363 S368 M369	Q361-H365 PolarHBondContact O-N 3.09Å; S362-H365 PolarHBondContact O-N 3.37Å; S362-H365 VanDerWaalsContact O-N 3.1Å; I363-H365 VanDerWaalsContact C-N 3.29Å; I363-H365 PolarHBondContact O-N 3.18Å; H365-S368 WeakPolarHBondContact CA-OG 3.5Å; H365-S368 PolarHBondContact ND1-OG 3.02Å; H365-S368 WeakPolarHBondContact O-CB 3.31Å; H365-S368 PolarHBondContact O-N 3.43Å; H365-S368 PolarHBondContact O-OG 2.96Å; H365-M369 WeakPolarHBondContact O-CG 3.24Å; H365-M369 PolarHBondContact O-N 3.35Å; H365-M369 VanDerWaalsContact O-N 3.15Å
366	F	64.4	Low	56	Low	5 Å²	5	46.1 Å²	46.1	2%	0.022	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-48.7	176.6	-178.9	-126.5	0	0	0	112.5	F119 V120 M123 L127 L181 S362 I363 S368 M369 L370	F119-F366 HydrophobicContact CE1-CD2 4.22Å; V120-F366 HydrophobicContact CB-CE2 4.44Å; V120-F366 HydrophobicContact CG1-CE2 4.49Å; V120-F366 HydrophobicContact CG1-CZ 4.25Å; V120-F366 HydrophobicContact CG2-CE2 4.14Å; M123-F366 HydrophobicContact CB-CD1 4.14Å; M123-F366 HydrophobicContact CB-CD2 3.44Å; M123-F366 VanDerWaalsContact CB-CD2 3.44Å; M123-F366 HydrophobicContact CB-CE1 4.03Å; M123-F366 HydrophobicContact CB-CE2 3.32Å; M123-F366 HydrophobicContact CB-CG 3.84Å; M123-F366 HydrophobicContact CB-CZ 3.6Å; M123-F366 HydrophobicContact CG-CB 4.46Å; M123-F366 HydrophobicContact CG-CD2 3.43Å; M123-F366 VanDerWaalsContact CG-CD2 3.43Å; M123-F366 HydrophobicContact CG-CE2 3.72Å; M123-F366 HydrophobicContact CG-CG 4.01Å; M123-F366 HydrophobicContact CG-CZ 4.47Å; M123-F366 HydrophobicContact SD-CB 4.01Å; M123-F366 HydrophobicContact SD-CD2 4.09Å; M123-F366 HydrophobicContact SD-CG 4.17Å; L127-F366 HydrophobicContact CD1-CD1 3.74Å; L127-F366 HydrophobicContact CD1-CE1 3.49Å; L127-F366 VanDerWaalsContact CD1-CE1 3.49Å; L181-F366 HydrophobicContact CD1-CE1 4.3Å; S362-F366 PolarHBondContact O-N 3.44Å; I363-F366 PolarHBondContact O-N 3.31Å; F366-S368 VanDerWaalsContact C-N 3.29Å; F366-S368 PolarHBondContact O-N 2.74Å; F366-M369 PolarHBondContact O-N 3.27Å; F366-M369 VanDerWaalsContact O-N 3.07Å; F366-L370 HydrophobicContact CD1-CD1 3.91Å; F366-L370 HydrophobicContact CD2-CD1 4.38Å; F366-L370 HydrophobicContact CD2-CG 4.22Å; F366-L370 HydrophobicContact CE1-CD1 3.43Å; F366-L370 VanDerWaalsContact CE1-CD1 3.43Å; F366-L370 HydrophobicContact CE1-CG 4.25Å; F366-L370 HydrophobicContact CE2-CD1 3.95Å; F366-L370 HydrophobicContact CE2-CD2 4.08Å; F366-L370 HydrophobicContact CE2-CG 3.86Å; F366-L370 HydrophobicContact CG-CD1 4.39Å; F366-L370 HydrophobicContact CZ-CD1 3.48Å; F366-L370 VanDerWaalsContact CZ-CD1 3.48Å; F366-L370 HydrophobicContact CZ-CD2 4.13Å; F366-L370 HydrophobicContact CZ-CG 3.91Å; F366-L370 PolarHBondContact O-N 2.97Å
367	L	62.6	Low	55.4	Low	2 Å²	2	44.6 Å²	44.6	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-42.1	174.2	-68.3	174.8	0	0	0	111.3	I144 L177 I363 M369 L370 L371 L375	I144-L367 HydrophobicContact CD1-CD1 3.73Å; L177-L367 HydrophobicContact CD2-CD2 3.35Å; I363-L367 HydrophobicContact CG2-CD1 3.95Å; I363-L367 HydrophobicContact CG2-CG 4.38Å; I363-L367 WeakPolarHBondContact O-CB 3.5Å; I363-L367 VanDerWaalsContact O-CG 3.27Å; I363-L367 WeakPolarHBondContact O-CG 3.38Å; I363-L367 PolarHBondContact O-N 3.29Å; L367-M369 PolarHBondContact O-N 3.12Å; L367-L370 PolarHBondContact O-N 2.94Å; L367-L371 HydrophobicContact CD2-CD1 4.4Å; L367-L371 WeakPolarHBondContact O-CB 3.41Å; L367-L371 PolarHBondContact O-N 3.31Å; L367-L371 VanDerWaalsContact O-N 3.11Å; L367-L375 HydrophobicContact CB-CD1 4.49Å; L367-L375 WeakPolarHBondContact O-CD1 3.34Å
368	S	59	Low	55.3	Low	19 Å²	19	43.1 Å²	43.1	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-25.7	177.1	81.1	0	0	0	0	113.8	I364 H365 F366	I364-S368 VanDerWaalsContact O-CB 3.3Å; I364-S368 WeakPolarHBondContact O-CB 3.24Å; I364-S368 PolarHBondContact O-N 3.44Å; H365-S368 WeakPolarHBondContact CA-OG 3.5Å; H365-S368 PolarHBondContact ND1-OG 3.02Å; H365-S368 WeakPolarHBondContact O-CB 3.31Å; H365-S368 PolarHBondContact O-N 3.43Å; H365-S368 PolarHBondContact O-OG 2.96Å; F366-S368 VanDerWaalsContact C-N 3.29Å; F366-S368 PolarHBondContact O-N 2.74Å
369	M	58.6	Low	55.2	Low	38 Å²	38	44.8 Å²	44.8	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-89.1	-40.8	176.3	-68.6	170.2	59.8	0	0	112.7	L104 F116 F119 N163 H365 F366 L367 L371	L104-M369 HydrophobicContact CD2-CE 3.97Å; F116-M369 HydrophobicContact CE2-CE 4.12Å; F119-M369 HydrophobicContact CD1-CE 3.71Å; F119-M369 HydrophobicContact CE1-CE 3.33Å; F119-M369 HydrophobicContact CE1-SD 3.73Å; F119-M369 HydrophobicContact CZ-CE 4Å; F119-M369 HydrophobicContact CZ-SD 4.11Å; N163-M369 PolarHBondContact ND2-O 3.36Å; H365-M369 WeakPolarHBondContact O-CG 3.24Å; H365-M369 PolarHBondContact O-N 3.35Å; H365-M369 VanDerWaalsContact O-N 3.15Å; F366-M369 PolarHBondContact O-N 3.27Å; F366-M369 VanDerWaalsContact O-N 3.07Å; L367-M369 PolarHBondContact O-N 3.12Å; M369-L371 VanDerWaalsContact C-N 3.31Å; M369-L371 PolarHBondContact O-N 3.26Å
370	L	60.1	Low	55	Low	2 Å²	2	45.3 Å²	45.3	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-29.6	178.6	-77.2	-178.9	0	0	0	114.1	F116 V120 N163 I164 L181 F366 L367	F116-L370 HydrophobicContact CZ-CD2 4.48Å; V120-L370 HydrophobicContact CG2-CD2 4.01Å; N163-L370 VanDerWaalsContact CB-O 3.23Å; N163-L370 WeakPolarHBondContact CB-O 3.17Å; N163-L370 PolarHBondContact N-O 3.42Å; N163-L370 VanDerWaalsContact N-O 3.11Å; N163-L370 PolarHBondContact ND2-O 3.4Å; I164-L370 HydrophobicContact CD1-CD2 3.92Å; L181-L370 HydrophobicContact CD1-CD1 3.8Å; L181-L370 HydrophobicContact CD2-CD1 3.93Å; L181-L370 HydrophobicContact CD2-CD2 4.07Å; L181-L370 HydrophobicContact CG-CD1 4.47Å; F366-L370 HydrophobicContact CD1-CD1 3.91Å; F366-L370 HydrophobicContact CD2-CD1 4.38Å; F366-L370 HydrophobicContact CD2-CG 4.22Å; F366-L370 HydrophobicContact CE1-CD1 3.43Å; F366-L370 VanDerWaalsContact CE1-CD1 3.43Å; F366-L370 HydrophobicContact CE1-CG 4.25Å; F366-L370 HydrophobicContact CE2-CD1 3.95Å; F366-L370 HydrophobicContact CE2-CD2 4.08Å; F366-L370 HydrophobicContact CE2-CG 3.86Å; F366-L370 HydrophobicContact CG-CD1 4.39Å; F366-L370 HydrophobicContact CZ-CD1 3.48Å; F366-L370 VanDerWaalsContact CZ-CD1 3.48Å; F366-L370 HydrophobicContact CZ-CD2 4.13Å; F366-L370 HydrophobicContact CZ-CG 3.91Å; F366-L370 PolarHBondContact O-N 2.97Å; L367-L370 PolarHBondContact O-N 2.94Å
371	L	55.9	Low	54.4	Low	1 Å²	1	54.3 Å²	54.3	1%	0.005	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	28.1	-169.8	-54.6	169.8	0	0	0	111.9	L160 L169 M171 L367 M369 N374 L375	L160-L371 HydrophobicContact CD2-CB 4.42Å; L160-L371 HydrophobicContact CD2-CD1 4.23Å; L160-L371 HydrophobicContact CD2-CD2 4.32Å; L169-L371 HydrophobicContact CD1-CD2 3.32Å; M171-L371 HydrophobicContact CE-CD1 4.45Å; L367-L371 HydrophobicContact CD2-CD1 4.4Å; L367-L371 WeakPolarHBondContact O-CB 3.41Å; L367-L371 PolarHBondContact O-N 3.31Å; L367-L371 VanDerWaalsContact O-N 3.11Å; M369-L371 VanDerWaalsContact C-N 3.31Å; M369-L371 PolarHBondContact O-N 3.26Å; L371-N374 WeakPolarHBondContact O-CB 3.28Å; L371-N374 PolarHBondContact O-N 3.46Å; L371-L375 HydrophobicContact CB-CD1 3.64Å; L371-L375 HydrophobicContact CB-CG 3.87Å; L371-L375 HydrophobicContact CD1-CD1 3.87Å; L371-L375 HydrophobicContact CG-CD1 4.3Å; L371-L375 PolarHBondContact O-N 3.39Å
372	W	54.7	Low	54	Low	118 Å²	118	56.6 Å²	56.6	45%	0.447	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	102.7	-178	-176	-95.6	0	0	0	111.7	N163 W376	N163-W372 VanDerWaalsContact CG-O 3.28Å; N163-W372 WeakPolarHBondContact ND2-CA 3.16Å; N163-W372 WeakPolarHBondContact ND2-CB 3.44Å; N163-W372 PolarHBondContact ND2-N 2.88Å; N163-W372 PolarHBondContact ND2-O 3.48Å; N163-W372 PolarHBondContact OD1-O 2.89Å; W372-W376 HydrophobicContact CD2-CE3 4.5Å; W372-W376 AromaticContact CE2-CE3 3.64Å; W372-W376 AromaticContact CE2-CZ3 3.99Å; W372-W376 HydrophobicContact CE3-CB 4.36Å; W372-W376 HydrophobicContact CH2-CB 4.21Å; W372-W376 AromaticContact CH2-CD2 3.61Å; W372-W376 HydrophobicContact CH2-CD2 3.61Å; W372-W376 AromaticContact CH2-CE3 3.42Å; W372-W376 HydrophobicContact CH2-CE3 3.42Å; W372-W376 VanDerWaalsContact CH2-CE3 3.42Å; W372-W376 HydrophobicContact CH2-CG 4.02Å; W372-W376 AromaticContact CH2-CZ3 3.94Å; W372-W376 HydrophobicContact CH2-CZ3 3.94Å; W372-W376 AromaticContact CZ2-CD2 3.79Å; W372-W376 HydrophobicContact CZ2-CD2 3.79Å; W372-W376 AromaticContact CZ2-CE3 3.06Å; W372-W376 HydrophobicContact CZ2-CE3 3.06Å; W372-W376 HydrophobicContact CZ2-CH2 4.13Å; W372-W376 AromaticContact CZ2-CZ3 3.28Å; W372-W376 HydrophobicContact CZ2-CZ3 3.28Å; W372-W376 HydrophobicContact CZ3-CB 3.98Å; W372-W376 HydrophobicContact CZ3-CD2 4.3Å; W372-W376 HydrophobicContact CZ3-CE3 4.26Å; W372-W376 HydrophobicContact CZ3-CG 4.25Å
373	P	49.7	Very low	53.9	Low	85 Å²	85	57.1 Å²	57.1	55%	0.552	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn		-115.6	-5.8	55.4	-2.5	24	0	0	0	115.3	L375 W376	P373-L375 PolarHBondContact O-N 2.85Å; P373-L375 VanDerWaalsContact O-N 3.11Å; P373-W376 WeakPolarHBondContact O-CB 3.48Å; P373-W376 PolarHBondContact O-N 3.44Å
374	N	46.4	Very low	53.9	Low	46 Å²	46	61.6 Å²	61.6	25%	0.246	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-56.4	-33.6	-172.4	-62.4	-43.9	0	0	0	112.4	L160 L371	L160-N374 HydrophobicContact CD2-CB 4.21Å; L371-N374 WeakPolarHBondContact O-CB 3.28Å; L371-N374 PolarHBondContact O-N 3.46Å
375	L	51	Low	53.7	Low	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-88.6	-0.1	179.4	-61.7	-175.2	0	0	0	115.7	I144 I148 L367 L371 P373 S377 I378 W380	I144-L375 HydrophobicContact CG2-CD2 3.71Å; I148-L375 HydrophobicContact CD1-CD2 3.76Å; I148-L375 HydrophobicContact CG1-CD2 4.04Å; L367-L375 HydrophobicContact CB-CD1 4.49Å; L367-L375 WeakPolarHBondContact O-CD1 3.34Å; L371-L375 HydrophobicContact CB-CD1 3.64Å; L371-L375 HydrophobicContact CB-CG 3.87Å; L371-L375 HydrophobicContact CD1-CD1 3.87Å; L371-L375 HydrophobicContact CG-CD1 4.3Å; L371-L375 PolarHBondContact O-N 3.39Å; P373-L375 PolarHBondContact O-N 2.85Å; P373-L375 VanDerWaalsContact O-N 3.11Å; L375-S377 PolarHBondContact O-N 3.19Å; L375-I378 HydrophobicContact CD2-CD1 3.65Å; L375-I378 HydrophobicContact CD2-CG1 4.3Å; L375-I378 PolarHBondContact O-N 2.79Å; L375-W380 HydrophobicContact CB-CZ2 4.1Å; L375-W380 HydrophobicContact CD1-CH2 4.39Å; L375-W380 HydrophobicContact CD1-CZ2 3.96Å; L375-W380 HydrophobicContact CD2-CZ2 4.33Å; L375-W380 HydrophobicContact CG-CZ2 4.36Å
376	W	44.4	Very low	53.3	Low	183 Å²	183	63.2 Å²	63.2	69%	0.693	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-57.3	-37.4	173.7	-171.4	-53	0	0	0	111	W372 P373 I378	W372-W376 HydrophobicContact CD2-CE3 4.5Å; W372-W376 AromaticContact CE2-CE3 3.64Å; W372-W376 AromaticContact CE2-CZ3 3.99Å; W372-W376 HydrophobicContact CE3-CB 4.36Å; W372-W376 HydrophobicContact CH2-CB 4.21Å; W372-W376 AromaticContact CH2-CD2 3.61Å; W372-W376 HydrophobicContact CH2-CD2 3.61Å; W372-W376 AromaticContact CH2-CE3 3.42Å; W372-W376 HydrophobicContact CH2-CE3 3.42Å; W372-W376 VanDerWaalsContact CH2-CE3 3.42Å; W372-W376 HydrophobicContact CH2-CG 4.02Å; W372-W376 AromaticContact CH2-CZ3 3.94Å; W372-W376 HydrophobicContact CH2-CZ3 3.94Å; W372-W376 AromaticContact CZ2-CD2 3.79Å; W372-W376 HydrophobicContact CZ2-CD2 3.79Å; W372-W376 AromaticContact CZ2-CE3 3.06Å; W372-W376 HydrophobicContact CZ2-CE3 3.06Å; W372-W376 HydrophobicContact CZ2-CH2 4.13Å; W372-W376 AromaticContact CZ2-CZ3 3.28Å; W372-W376 HydrophobicContact CZ2-CZ3 3.28Å; W372-W376 HydrophobicContact CZ3-CB 3.98Å; W372-W376 HydrophobicContact CZ3-CD2 4.3Å; W372-W376 HydrophobicContact CZ3-CE3 4.26Å; W372-W376 HydrophobicContact CZ3-CG 4.25Å; P373-W376 WeakPolarHBondContact O-CB 3.48Å; P373-W376 PolarHBondContact O-N 3.44Å; W376-I378 PolarHBondContact O-N 2.93Å
377	S	40.9	Very low	53.1	Low	47 Å²	47	64.3 Å²	64.3	33%	0.329	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-67.6	-17.5	-177.5	74.3	0	0	0	0	114.5	N151 L375 H379	N151-S377 WeakPolarHBondContact ND2-CB 3.49Å; N151-S377 PolarHBondContact ND2-O 3.44Å; N151-S377 PolarHBondContact ND2-OG 3.09Å; N151-S377 VanDerWaalsContact ND2-OG 3.09Å; L375-S377 PolarHBondContact O-N 3.19Å; S377-H379 PolarHBondContact O-N 3.17Å
378	I	51	Low	52.9	Low	9 Å²	9	65 Å²	65	5%	0.046	32%	0.318	C	S	.	.			trans	-81.9	114.8	-177.5	-56.7	-165.9	0	0	0	109.5	I144 K147 I148 L375 W376 W380	I144-I378 HydrophobicContact CG2-CD1 4.28Å; K147-I378 HydrophobicContact CB-CD1 4.05Å; K147-I378 HydrophobicContact CB-CG1 4.45Å; I148-I378 HydrophobicContact CG1-CD1 4.23Å; L375-I378 HydrophobicContact CD2-CD1 3.65Å; L375-I378 HydrophobicContact CD2-CG1 4.3Å; L375-I378 PolarHBondContact O-N 2.79Å; W376-I378 PolarHBondContact O-N 2.93Å; I378-W380 HydrophobicContact CB-CD2 4.25Å; I378-W380 HydrophobicContact CB-CZ2 4.07Å; I378-W380 HydrophobicContact CD1-CH2 4.18Å; I378-W380 HydrophobicContact CD1-CZ2 4.14Å; I378-W380 HydrophobicContact CG2-CD2 3.69Å; I378-W380 HydrophobicContact CG2-CE3 3.91Å; I378-W380 HydrophobicContact CG2-CG 4.16Å; I378-W380 HydrophobicContact CG2-CH2 4.33Å; I378-W380 HydrophobicContact CG2-CZ2 4.11Å; I378-W380 HydrophobicContact CG2-CZ3 4.22Å; I378-W380 PolarHBondContact O-N 3.17Å; I378-W380 PolarHBondContact O-NE1 3.31Å
379	H	51.7	Low	52.8	Low	130 Å²	130	65.2 Å²	65.2	60%	0.602	32%	0.317	S	S	*	.			trans	-79.5	72.6	176	-151.2	-88.1	0	0	0	110.1	S377 K381 Q382	S377-H379 PolarHBondContact O-N 3.17Å; H379-K381 PolarHBondContact O-N 2.64Å; H379-Q382 WeakPolarHBondContact O-CB 3.4Å; H379-Q382 PolarHBondContact O-N 3.06Å
380	W	52.3	Low	52.8	Low	59 Å²	59	68.1 Å²	68.1	22%	0.223	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-48.6	-28.1	-169.6	-63.6	101.2	0	0	0	115.7	F140 I144 I364 L375 I378 Q382 L383	F140-W380 HydrophobicContact CE1-CZ3 4.13Å; F140-W380 HydrophobicContact CZ-CZ3 4.18Å; I144-W380 HydrophobicContact CD1-CH2 4.36Å; I144-W380 HydrophobicContact CG1-CH2 4.09Å; I144-W380 HydrophobicContact CG1-CZ3 4.45Å; I364-W380 HydrophobicContact CB-CZ3 4.44Å; I364-W380 HydrophobicContact CG1-CE3 4.44Å; I364-W380 HydrophobicContact CG1-CZ3 4.15Å; I364-W380 HydrophobicContact CG2-CD2 3.88Å; I364-W380 HydrophobicContact CG2-CE3 3.44Å; I364-W380 VanDerWaalsContact CG2-CE3 3.44Å; I364-W380 HydrophobicContact CG2-CH2 4.34Å; I364-W380 HydrophobicContact CG2-CZ3 3.71Å; L375-W380 HydrophobicContact CB-CZ2 4.1Å; L375-W380 HydrophobicContact CD1-CH2 4.39Å; L375-W380 HydrophobicContact CD1-CZ2 3.96Å; L375-W380 HydrophobicContact CD2-CZ2 4.33Å; L375-W380 HydrophobicContact CG-CZ2 4.36Å; I378-W380 HydrophobicContact CB-CD2 4.25Å; I378-W380 HydrophobicContact CB-CZ2 4.07Å; I378-W380 HydrophobicContact CD1-CH2 4.18Å; I378-W380 HydrophobicContact CD1-CZ2 4.14Å; I378-W380 HydrophobicContact CG2-CD2 3.69Å; I378-W380 HydrophobicContact CG2-CE3 3.91Å; I378-W380 HydrophobicContact CG2-CG 4.16Å; I378-W380 HydrophobicContact CG2-CH2 4.33Å; I378-W380 HydrophobicContact CG2-CZ2 4.11Å; I378-W380 HydrophobicContact CG2-CZ3 4.22Å; I378-W380 PolarHBondContact O-N 3.17Å; I378-W380 PolarHBondContact O-NE1 3.31Å; W380-Q382 PolarHBondContact O-N 2.99Å; W380-L383 HydrophobicContact CE3-CD1 3.91Å; W380-L383 HydrophobicContact CZ3-CD1 3.96Å; W380-L383 VanDerWaalsContact O-CB 3.23Å; W380-L383 WeakPolarHBondContact O-CB 3.31Å; W380-L383 PolarHBondContact O-N 3.33Å
381	K	43.9	Very low	53	Low	191 Å²	191	73 Å²	73	83%	0.83	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-69.1	-4.1	173.6	-62.1	-170	178.1	-172.7	0	115.2	H379	H379-K381 PolarHBondContact O-N 2.64Å
382	Q	49	Very low	53	Low	151 Å²	151	74.9 Å²	74.9	71%	0.706	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-113.5	19.4	171	-64.3	176	-45.4	0	0	111	H379 W380	H379-Q382 WeakPolarHBondContact O-CB 3.4Å; H379-Q382 PolarHBondContact O-N 3.06Å; W380-Q382 PolarHBondContact O-N 2.99Å
383	L	55.2	Low	53.1	Low	15 Å²	15	71.1 Å²	71.1	8%	0.079	35%	0.35	C	S	.	.			trans	-91.9	111.6	169.5	-153.8	128.8	0	0	0	107.9	F140 I143 K147 I364 W380 I385 I388	F140-L383 HydrophobicContact CE2-CD2 3.48Å; F140-L383 VanDerWaalsContact CE2-CD2 3.48Å; F140-L383 HydrophobicContact CZ-CD1 4.21Å; F140-L383 HydrophobicContact CZ-CD2 3.54Å; I143-L383 HydrophobicContact CG2-CD1 4.49Å; K147-L383 HydrophobicContact CD-CD1 4.09Å; I364-L383 HydrophobicContact CD1-CD2 4.25Å; W380-L383 HydrophobicContact CE3-CD1 3.91Å; W380-L383 HydrophobicContact CZ3-CD1 3.96Å; W380-L383 VanDerWaalsContact O-CB 3.23Å; W380-L383 WeakPolarHBondContact O-CB 3.31Å; W380-L383 PolarHBondContact O-N 3.33Å; L383-I385 VanDerWaalsContact C-N 3.25Å; L383-I385 HydrophobicContact CD2-CG1 3.78Å; L383-I385 PolarHBondContact O-N 3.28Å; L383-I388 HydrophobicContact CD2-CD1 3.53Å; L383-I388 HydrophobicContact CG-CD1 4.22Å
384	D	61.3	Low	53.7	Low	104 Å²	104	72.9 Å²	72.9	56%	0.556	35%	0.349	S	S	*	.			trans	-75	78.9	178.7	-176.3	8.6	0	0	0	109.6	D386 G387 I388	D384-D386 VanDerWaalsContact C-N 3.26Å; D384-D386 PolarHBondContact O-N 3.21Å; D384-G387 PolarHBondContact O-N 2.64Å; D384-G387 PolarHBondContact OD1-N 3.22Å; D384-I388 VanDerWaalsContact O-CG1 3.25Å; D384-I388 WeakPolarHBondContact O-CG1 3.47Å; D384-I388 PolarHBondContact O-N 3.39Å
385	I	56.7	Low	54.1	Low	25 Å²	25	73.3 Å²	73.3	13%	0.128	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-41.1	-178.6	-64.8	172.6	0	0	0	109.9	T357 L360 I364 L383 I388 L389	T357-I385 HydrophobicContact CG2-CG2 4.14Å; L360-I385 HydrophobicContact CD2-CG2 4.02Å; I364-I385 HydrophobicContact CD1-CD1 3.71Å; I364-I385 HydrophobicContact CD1-CG1 4.1Å; L383-I385 VanDerWaalsContact C-N 3.25Å; L383-I385 HydrophobicContact CD2-CG1 3.78Å; L383-I385 PolarHBondContact O-N 3.28Å; I385-I388 PolarHBondContact O-N 3.37Å; I385-L389 WeakPolarHBondContact O-CB 3.48Å; I385-L389 PolarHBondContact O-N 3.4Å
386	D	51.2	Low	54.2	Low	97 Å²	97	75.7 Å²	75.7	52%	0.519	37%	0.367	S	S	.	.	H	α-helix	trans	-65.1	-43	178.6	-56.3	-40.9	0	0	0	111	D384 I388 L389 N390	D384-D386 VanDerWaalsContact C-N 3.26Å; D384-D386 PolarHBondContact O-N 3.21Å; D386-I388 PolarHBondContact O-N 3.49Å; D386-L389 PolarHBondContact O-N 3.28Å; D386-N390 VanDerWaalsContact O-CB 3.31Å; D386-N390 WeakPolarHBondContact O-CB 3.36Å; D386-N390 PolarHBondContact O-N 3.28Å; D386-N390 PolarHBondContact O-ND2 3.3Å
387	G	60.4	Low	54.5	Low	28 Å²	28	70.7 Å²	70.7	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-37.3	173.9	0	0	0	0	0	113.8	D384 K391	D384-G387 PolarHBondContact O-N 2.64Å; D384-G387 PolarHBondContact OD1-N 3.22Å; G387-K391 WeakPolarHBondContact O-CB 3.43Å; G387-K391 PolarHBondContact O-N 3.49Å
388	I	58	Low	55.1	Low	18 Å²	18	73.1 Å²	73.1	9%	0.092	36%	0.36	C	S	.	.	H	α-helix	trans	-66.9	-46.5	174.9	-66.5	166.2	0	0	0	110.7	L136 F140 I143 L383 D384 I385 D386 K391 Y392	L136-I388 HydrophobicContact CD1-CG2 4.4Å; F140-I388 HydrophobicContact CD2-CD1 4.48Å; F140-I388 HydrophobicContact CE2-CD1 4.11Å; I143-I388 HydrophobicContact CD1-CB 4.49Å; I143-I388 HydrophobicContact CD1-CD1 3.65Å; I143-I388 HydrophobicContact CD1-CG1 3.62Å; I143-I388 HydrophobicContact CD1-CG2 4.08Å; I143-I388 HydrophobicContact CG2-CD1 4.26Å; L383-I388 HydrophobicContact CD2-CD1 3.53Å; L383-I388 HydrophobicContact CG-CD1 4.22Å; D384-I388 VanDerWaalsContact O-CG1 3.25Å; D384-I388 WeakPolarHBondContact O-CG1 3.47Å; D384-I388 PolarHBondContact O-N 3.39Å; I385-I388 PolarHBondContact O-N 3.37Å; D386-I388 PolarHBondContact O-N 3.49Å; I388-K391 WeakPolarHBondContact O-CB 3.27Å; I388-K391 PolarHBondContact O-N 3.26Å; I388-Y392 PolarHBondContact O-N 3.48Å; I388-Y392 VanDerWaalsContact O-N 3.1Å
389	L	56.1	Low	54.8	Low	22 Å²	22	77.1 Å²	77.1	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-60.9	-49	177.3	-170.9	63.7	0	0	0	110.2	L136 F352 I385 D386 K391 Y392 L393	L136-L389 HydrophobicContact CD2-CD1 4.05Å; F352-L389 HydrophobicContact CD1-CD2 4.48Å; F352-L389 HydrophobicContact CE1-CD2 4.34Å; I385-L389 WeakPolarHBondContact O-CB 3.48Å; I385-L389 PolarHBondContact O-N 3.4Å; D386-L389 PolarHBondContact O-N 3.28Å; L389-K391 VanDerWaalsContact C-N 3.32Å; L389-K391 PolarHBondContact O-N 2.85Å; L389-Y392 WeakPolarHBondContact O-CB 3.31Å; L389-Y392 PolarHBondContact O-N 3.32Å; L389-L393 HydrophobicContact CD1-CD1 4.04Å; L389-L393 HydrophobicContact CG-CD1 3.79Å; L389-L393 WeakPolarHBondContact O-CD1 3.39Å; L389-L393 PolarHBondContact O-N 2.84Å
390	N	58.5	Low	54.4	Low	100 Å²	100	74.1 Å²	74.1	54%	0.535	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-36.6	176.7	-79	-61.3	0	0	0	113.3	D386 K394	D386-N390 VanDerWaalsContact O-CB 3.31Å; D386-N390 WeakPolarHBondContact O-CB 3.36Å; D386-N390 PolarHBondContact O-N 3.28Å; D386-N390 PolarHBondContact O-ND2 3.3Å; N390-K394 WeakPolarHBondContact O-CB 3.46Å; N390-K394 PolarHBondContact O-N 3.23Å
391	K	64.4	Low	53.8	Low	104 Å²	104	75.8 Å²	75.8	45%	0.452	38%	0.382	S	S	.	.	H	α-helix	trans	-60.3	-46.5	171.7	-173.8	-160.4	169.7	-160.4	0	110.7	E139 G387 I388 L389 K394 C395	E139-K391 IonicContact OE1-NZ 3.4Å; E139-K391 PolarHBondContact OE1-NZ 3.37Å; E139-K391 IonicContact OE2-NZ 3.42Å; E139-K391 PolarHBondContact OE2-NZ 3.12Å; G387-K391 WeakPolarHBondContact O-CB 3.43Å; G387-K391 PolarHBondContact O-N 3.49Å; I388-K391 WeakPolarHBondContact O-CB 3.27Å; I388-K391 PolarHBondContact O-N 3.26Å; L389-K391 VanDerWaalsContact C-N 3.32Å; L389-K391 PolarHBondContact O-N 2.85Å; K391-K394 PolarHBondContact O-N 2.68Å; K391-C395 PolarHBondContact O-N 2.87Å; K391-C395 VanDerWaalsContact O-N 3.1Å; K391-C395 PolarHBondContact O-SG 3.49Å
392	Y	56.7	Low	53.7	Low	40 Å²	40	73 Å²	73	16%	0.157	37%	0.373	C	S	.	.	H	α-helix	trans	-64.9	-45.5	179.3	-178.5	-111.9	0	0	0	112.6	S133 Q135 L136 I388 L389 K394 C395 M396	S133-Y392 WeakPolarHBondContact CB-OH 3.5Å; S133-Y392 PolarHBondContact OG-OH 2.86Å; Q135-Y392 HydrophobicContact CB-CE2 3.75Å; Q135-Y392 PolarHBondContact OE1-OH 3.22Å; L136-Y392 HydrophobicContact CB-CD1 4.26Å; L136-Y392 HydrophobicContact CB-CE1 4.3Å; L136-Y392 HydrophobicContact CB-CG 4.39Å; L136-Y392 HydrophobicContact CD1-CD1 4.22Å; L136-Y392 HydrophobicContact CD1-CG 4Å; L136-Y392 HydrophobicContact CD2-CD1 4.34Å; I388-Y392 PolarHBondContact O-N 3.48Å; I388-Y392 VanDerWaalsContact O-N 3.1Å; L389-Y392 WeakPolarHBondContact O-CB 3.31Å; L389-Y392 PolarHBondContact O-N 3.32Å; Y392-K394 PolarHBondContact O-N 3.39Å; Y392-C395 PolarHBondContact O-N 3.29Å; Y392-M396 HydrophobicContact CD1-CG 4.38Å; Y392-M396 HydrophobicContact CD2-CG 4.39Å; Y392-M396 HydrophobicContact CE1-CG 3.91Å; Y392-M396 HydrophobicContact CE2-CG 3.89Å; Y392-M396 HydrophobicContact CE2-SD 4.03Å; Y392-M396 WeakPolarHBondContact O-CG 3.39Å; Y392-M396 PolarHBondContact O-N 3.39Å; Y392-M396 PolarHBondContact OH-SD 2.92Å
393	L	55.5	Low	53.3	Low	39 Å²	39	69.1 Å²	69.1	20%	0.204	36%	0.356	C	S	.	.	H	α-helix	trans	-54.3	-43.6	172.4	-88.4	74.5	0	0	0	111.3	F352 L389 M396 N397	F352-L393 HydrophobicContact CD2-CD2 4.23Å; F352-L393 HydrophobicContact CE1-CD1 3.76Å; F352-L393 HydrophobicContact CE1-CD2 4.16Å; F352-L393 HydrophobicContact CE1-CG 4.31Å; F352-L393 HydrophobicContact CE2-CD1 4.41Å; F352-L393 HydrophobicContact CE2-CD2 3.61Å; F352-L393 HydrophobicContact CE2-CG 4.07Å; F352-L393 HydrophobicContact CZ-CD1 3.54Å; F352-L393 HydrophobicContact CZ-CD2 3.59Å; F352-L393 HydrophobicContact CZ-CG 3.64Å; L389-L393 HydrophobicContact CD1-CD1 4.04Å; L389-L393 HydrophobicContact CG-CD1 3.79Å; L389-L393 WeakPolarHBondContact O-CD1 3.39Å; L389-L393 PolarHBondContact O-N 2.84Å; L393-M396 PolarHBondContact O-N 2.66Å; L393-N397 WeakPolarHBondContact O-CB 3.46Å; L393-N397 VanDerWaalsContact O-CG 3.31Å; L393-N397 PolarHBondContact O-N 3.15Å; L393-N397 PolarHBondContact O-ND2 2.94Å
394	K	62.8	Low	52.4	Low	123 Å²	123	73.8 Å²	73.8	54%	0.535	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-47.9	-178.7	-177.3	176.4	169.4	-179	0	111.3	N390 K391 Y392 N397 E398	N390-K394 WeakPolarHBondContact O-CB 3.46Å; N390-K394 PolarHBondContact O-N 3.23Å; K391-K394 PolarHBondContact O-N 2.68Å; Y392-K394 PolarHBondContact O-N 3.39Å; K394-N397 PolarHBondContact O-N 3.04Å; K394-E398 WeakPolarHBondContact CE-OE1 3.2Å; K394-E398 WeakPolarHBondContact CE-OE2 3.47Å; K394-E398 HydrophobicContact CG-CG 4.45Å; K394-E398 IonicContact NZ-OE1 3.61Å; K394-E398 PolarHBondContact NZ-OE1 3.3Å; K394-E398 WeakPolarHBondContact O-CG 3.33Å; K394-E398 PolarHBondContact O-N 3.5Å
395	C	55.5	Low	51.3	Low	54 Å²	54	74.7 Å²	74.7	37%	0.365	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-46.5	176.5	-64.6	0	0	0	0	111.9	K391 Y392 N397 E398 D399	K391-C395 PolarHBondContact O-N 2.87Å; K391-C395 VanDerWaalsContact O-N 3.1Å; K391-C395 PolarHBondContact O-SG 3.49Å; Y392-C395 PolarHBondContact O-N 3.29Å; C395-N397 VanDerWaalsContact C-N 3.3Å; C395-N397 PolarHBondContact O-N 2.78Å; C395-E398 PolarHBondContact O-N 3.38Å; C395-E398 VanDerWaalsContact O-N 3.12Å; C395-D399 PolarHBondContact O-N 3.37Å
396	M	52.5	Low	50.6	Low	50 Å²	50	78.4 Å²	78.4	25%	0.246	41%	0.41	C	S	.	.	H	α-helix	trans	-59.2	-39.5	176.9	-69.7	-63	-65.1	0	0	112.6	L342 Y392 L393 M400	L342-M396 HydrophobicContact CD2-CE 4.46Å; Y392-M396 HydrophobicContact CD1-CG 4.38Å; Y392-M396 HydrophobicContact CD2-CG 4.39Å; Y392-M396 HydrophobicContact CE1-CG 3.91Å; Y392-M396 HydrophobicContact CE2-CG 3.89Å; Y392-M396 HydrophobicContact CE2-SD 4.03Å; Y392-M396 WeakPolarHBondContact O-CG 3.39Å; Y392-M396 PolarHBondContact O-N 3.39Å; Y392-M396 PolarHBondContact OH-SD 2.92Å; L393-M396 PolarHBondContact O-N 2.66Å; M396-M400 WeakPolarHBondContact O-CB 3.35Å; M396-M400 WeakPolarHBondContact O-CG 3.29Å; M396-M400 PolarHBondContact O-N 3.41Å
397	N	50.5	Low	49.8	Very low	78 Å²	78	81.1 Å²	81.1	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-70.3	-36.3	175.5	-74.9	-34	0	0	0	112.5	L393 K394 C395 N401	L393-N397 WeakPolarHBondContact O-CB 3.46Å; L393-N397 VanDerWaalsContact O-CG 3.31Å; L393-N397 PolarHBondContact O-N 3.15Å; L393-N397 PolarHBondContact O-ND2 2.94Å; K394-N397 PolarHBondContact O-N 3.04Å; C395-N397 VanDerWaalsContact C-N 3.3Å; C395-N397 PolarHBondContact O-N 2.78Å; N397-N401 WeakPolarHBondContact O-CB 3.14Å; N397-N401 PolarHBondContact O-N 3.27Å; N397-N401 PolarHBondContact O-ND2 2.99Å
398	E	53.4	Low	48.6	Very low	98 Å²	98	88.6 Å²	88.6	46%	0.458	45%	0.445	S	S	.	.	H	α-helix	trans	-67.2	-44.2	176.7	-74.3	174	153.9	0	0	111.1	K394 C395 N401 M402	K394-E398 WeakPolarHBondContact CE-OE1 3.2Å; K394-E398 WeakPolarHBondContact CE-OE2 3.47Å; K394-E398 HydrophobicContact CG-CG 4.45Å; K394-E398 IonicContact NZ-OE1 3.61Å; K394-E398 PolarHBondContact NZ-OE1 3.3Å; K394-E398 WeakPolarHBondContact O-CG 3.33Å; K394-E398 PolarHBondContact O-N 3.5Å; C395-E398 PolarHBondContact O-N 3.38Å; C395-E398 VanDerWaalsContact O-N 3.12Å; E398-N401 PolarHBondContact O-N 3.49Å; E398-M402 WeakPolarHBondContact O-CG 3.4Å; E398-M402 PolarHBondContact O-N 3.03Å; E398-M402 VanDerWaalsContact O-N 3.12Å
399	D	46	Very low	47.2	Very low	93 Å²	93	92.6 Å²	92.6	50%	0.497	47%	0.474	S	S	.	.	H	α-helix	trans	-61.7	-45.5	174.4	-73.3	-27	0	0	0	112.2	C395 N401 M402 I403	C395-D399 PolarHBondContact O-N 3.37Å; D399-N401 VanDerWaalsContact C-N 3.35Å; D399-N401 PolarHBondContact O-N 3.25Å; D399-M402 WeakPolarHBondContact O-CB 3.48Å; D399-M402 PolarHBondContact O-N 3.11Å; D399-I403 WeakPolarHBondContact O-CG1 3.47Å; D399-I403 PolarHBondContact O-N 2.77Å
400	M	42.3	Very low	46.1	Very low	67 Å²	67	98.3 Å²	98.3	33%	0.33	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-35.9	179.3	-71.4	-73	-89.6	0	0	112.6	M396 I403 L404	M396-M400 WeakPolarHBondContact O-CB 3.35Å; M396-M400 WeakPolarHBondContact O-CG 3.29Å; M396-M400 PolarHBondContact O-N 3.41Å; M400-I403 PolarHBondContact O-N 3.19Å; M400-L404 WeakPolarHBondContact O-CD1 3.46Å; M400-L404 PolarHBondContact O-N 3.39Å
401	N	39.6	Very low	44.7	Very low	94 Å²	94	96.4 Å²	96.4	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-67.5	-36.5	174.1	-80.7	-63	0	0	0	112.3	N397 E398 D399 I403 L404 N405	N397-N401 WeakPolarHBondContact O-CB 3.14Å; N397-N401 PolarHBondContact O-N 3.27Å; N397-N401 PolarHBondContact O-ND2 2.99Å; E398-N401 PolarHBondContact O-N 3.49Å; D399-N401 VanDerWaalsContact C-N 3.35Å; D399-N401 PolarHBondContact O-N 3.25Å; N401-I403 VanDerWaalsContact C-N 3.31Å; N401-I403 PolarHBondContact O-N 2.79Å; N401-L404 PolarHBondContact O-N 2.83Å; N401-N405 WeakPolarHBondContact O-CB 3.49Å; N401-N405 VanDerWaalsContact O-CG 3.28Å; N401-N405 PolarHBondContact O-N 3.43Å; N401-N405 VanDerWaalsContact O-N 3.1Å; N401-N405 PolarHBondContact O-ND2 2.98Å
402	M	42.7	Very low	43	Very low	132 Å²	132	97.3 Å²	97.3	65%	0.65	53%	0.53	S	S	*	.	H	α-helix	trans	-64.8	-35.3	172.9	-69	-74.2	-77.9	0	0	112.1	E398 D399 T406	E398-M402 WeakPolarHBondContact O-CG 3.4Å; E398-M402 PolarHBondContact O-N 3.03Å; E398-M402 VanDerWaalsContact O-N 3.12Å; D399-M402 WeakPolarHBondContact O-CB 3.48Å; D399-M402 PolarHBondContact O-N 3.11Å; M402-T406 WeakPolarHBondContact O-CG2 3.21Å; M402-T406 PolarHBondContact O-N 3.32Å; M402-T406 PolarHBondContact O-OG1 2.84Å
403	I	39.7	Very low	41.8	Very low	70 Å²	70	104.9 Å²	104.9	36%	0.359	56%	0.564	S	S	.	*	H	α-helix	trans	-75.6	-29.4	178.2	-67.3	164.8	0	0	0	112.7	D399 M400 N401 T406	D399-I403 WeakPolarHBondContact O-CG1 3.47Å; D399-I403 PolarHBondContact O-N 2.77Å; M400-I403 PolarHBondContact O-N 3.19Å; N401-I403 VanDerWaalsContact C-N 3.31Å; N401-I403 PolarHBondContact O-N 2.79Å; I403-T406 PolarHBondContact O-OG1 3.11Å
404	L	37.1	Very low	40.6	Very low	114 Å²	114	110 Å²	110	60%	0.597	59%	0.591	S	S	*	*	H	α-helix	trans	-70.9	-50.9	171.1	-100.6	73	0	0	0	111.3	M400 N401 T406 K407	M400-L404 WeakPolarHBondContact O-CD1 3.46Å; M400-L404 PolarHBondContact O-N 3.39Å; N401-L404 PolarHBondContact O-N 2.83Å; L404-T406 PolarHBondContact O-N 3.17Å; L404-K407 PolarHBondContact O-N 3.21Å; L404-K407 VanDerWaalsContact O-N 3.12Å
405	N	37.7	Very low	38.9	Very low	123 Å²	123	110.6 Å²	110.6	66%	0.658	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-9	-175.6	-70	-25.8	0	0	0	114.5	N401	N401-N405 WeakPolarHBondContact O-CB 3.49Å; N401-N405 VanDerWaalsContact O-CG 3.28Å; N401-N405 PolarHBondContact O-N 3.43Å; N401-N405 VanDerWaalsContact O-N 3.1Å; N401-N405 PolarHBondContact O-ND2 2.98Å
406	T	41.1	Very low	37.6	Very low	103 Å²	103	113.9 Å²	113.9	63%	0.632	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	2.8	178.6	41.6	0	0	0	0	114.3	M402 I403 L404	M402-T406 WeakPolarHBondContact O-CG2 3.21Å; M402-T406 PolarHBondContact O-N 3.32Å; M402-T406 PolarHBondContact O-OG1 2.84Å; I403-T406 PolarHBondContact O-OG1 3.11Å; L404-T406 PolarHBondContact O-N 3.17Å
407	K	36.1	Very low	36.3	Very low	154 Å²	154	116.6 Å²	116.6	67%	0.67	65%	0.651	S	S	*	*	S	Bend	trans	-102.9	-8.4	-177.8	-76	-178.3	176.8	176.6	0	116.3	L404	L404-K407 PolarHBondContact O-N 3.21Å; L404-K407 VanDerWaalsContact O-N 3.12Å
408	E	34.9	Very low	35.3	Very low	185 Å²	185	119.4 Å²	119.4	86%	0.864	67%	0.671	S	S	*	*	S	Bend	trans	-94.7	10.2	-173.5	-61.8	-163.2	133.8	0	0	115.3
409	S	27.8	Very low	34	Very low	102 Å²	102	120.8 Å²	120.8	71%	0.713	69%	0.686	S	S	*	*			trans	-127.2	43.3	-167.4	73.9	0	0	0	0	116.5
410	V	33.9	Very low	33.1	Very low	142 Å²	142	122.5 Å²	122.5	86%	0.861	71%	0.705	S	S	*	*			trans	-134.5	117.6	167.3	-173.8	0	0	0	0	110.6
411	G	28.4	Very low	32.3	Very low	60 Å²	60	124.2 Å²	124.2	62%	0.619	72%	0.724	S	S	*	*			trans	-82.3	163.9	176	0	0	0	0	0	113.5
412	P	28.4	Very low	31.6	Very low	123 Å²	123	127.5 Å²	127.5	80%	0.799	74%	0.74	S	S	*	*			trans	-80.5	131.5	-172.6	31.8	-34.5	0	0	0	112.8
413	F	30.9	Very low	30.8	Very low	198 Å²	198	126.1 Å²	126.1	87%	0.868	74%	0.744	S	S	*	*			trans	-148.4	109.1	160.5	-95.4	-69.3	0	0	0	112.7
414	D	30.7	Very low	30.3	Very low	146 Å²	146	128.4 Å²	128.4	78%	0.781	77%	0.766	S	S	*	*			trans	7.5	124.3	153.1	-47.9	-40.1	0	0	0	120.7
415	T	27.2	Very low	29.6	Very low	136 Å²	136	130.6 Å²	130.6	83%	0.834	78%	0.776	S	S	*	*			trans	-81	152.5	158.3	54.6	0	0	0	0	111.8
416	P	27.6	Very low	29	Very low	123 Å²	123	130.7 Å²	130.7	80%	0.799	78%	0.783	S	S	*	*				-137.2	156.7	121.3	36.5	-26	0	0	0	115.8
417	S	26.8	Very low	28.1	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	79%	0.789	S	S	*	*			trans	-55.6	154.7	177	52.9	0	0	0	0	116.8
418	T	29.6	Very low	27.6	Very low	136 Å²	136	132.1 Å²	132.1	83%	0.834	80%	0.802	S	S	*	*				-168.2	145.6	113.8	-73.3	0	0	0	0	110.7
419	V	25.3	Very low	27	Very low	128 Å²	128	128.4 Å²	128.4	78%	0.776	80%	0.797	S	S	*	*			trans	-98.7	143.5	175.9	-74.5	0	0	0	0	112.5
420	S	26.6	Very low	26.8	Very low	128 Å²	128	128.6 Å²	128.6	90%	0.895	80%	0.798	S	S	*	*			trans	-172.6	151.7	138.4	-83.5	0	0	0	0	111.5
421	S	25.6	Very low	26.3	Very low	104 Å²	104	129.8 Å²	129.8	73%	0.727	80%	0.799	S	S	*	*			trans	-90.8	156.3	-177.6	48.1	0	0	0	0	112.9
422	L	26.2	Very low	26	Very low	163 Å²	163	134.5 Å²	134.5	85%	0.853	80%	0.804	S	S	*	*				-162.8	160.1	120.5	-127.7	70.8	0	0	0	113.2
423	S	24.3	Very low	25.9	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	81%	0.81	S	S	*	*			trans	-72.1	147.2	-172	52.1	0	0	0	0	116.5
424	S	29.4	Very low	25.4	Very low	118 Å²	118	138.2 Å²	138.2	83%	0.825	81%	0.805	S	S	*	*				-170.9	143.5	123.3	30.1	0	0	0	0	112.2
425	I	24	Very low	25.1	Very low	160 Å²	160	134.2 Å²	134.2	82%	0.821	80%	0.798	S	S	*	*			trans	-125.3	133.2	178.2	-63.8	170.6	0	0	0	108.7
426	P	23.6	Very low	25	Very low	124 Å²	124	132.5 Å²	132.5	81%	0.805	79%	0.787	S	S	*	*			trans	-98.9	138.1	153.3	1.3	19.5	0	0	0	110.4
427	S	23	Very low	24.8	Very low	106 Å²	106	132.2 Å²	132.2	74%	0.741	79%	0.787	S	S	*	*			trans	-90.1	152.8	-179.9	49.6	0	0	0	0	113.2
428	L	25.5	Very low	24.8	Very low	181 Å²	181	133.5 Å²	133.5	95%	0.948	78%	0.781	S	S	*	*			trans	-148.7	140.9	158.8	-109.9	159.2	0	0	0	108.5
429	S	21.7	Very low	24.9	Very low	108 Å²	108	130.9 Å²	130.9	76%	0.755	77%	0.765	S	S	*	*			trans	-116.7	168.2	-155.9	-54	0	0	0	0	114.1
430	S	23.9	Very low	25.1	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	75%	0.75	S	S	*	*			trans	86.9	93.7	157.3	-159	0	0	0	0	118.3
431	L	23.4	Very low	25.2	Very low	168 Å²	168	127.3 Å²	127.3	88%	0.88	73%	0.733	S	S	*	*				-151.5	143.8	101.9	-135.7	72.4	0	0	0	110.6
432	H	23	Very low	25.4	Very low	159 Å²	159	127.2 Å²	127.2	74%	0.736	72%	0.724	S	S	*	*			trans	-81.9	130.8	179.4	-99.3	-104.2	0	0	0	111.7
433	Y	24.7	Very low	25.6	Very low	234 Å²	234	122.8 Å²	122.8	92%	0.918	70%	0.704	S	S	*	*			trans	-142.3	110.4	147.1	-143.6	-91.2	0	0	0	108.6
434	Q	21.8	Very low	25.9	Very low	165 Å²	165	124.1 Å²	124.1	77%	0.771	70%	0.698	S	S	*	*			trans	-112.3	71.5	-170.2	-169.5	167	-13.7	0	0	110.1
435	G	24	Very low	26	Very low	61 Å²	61	123.3 Å²	123.3	63%	0.629	68%	0.68	S	S	*	*			trans	-86.8	140.7	164.4	0	0	0	0	0	110	C437	G435-C437 PolarHBondContact O-N 3.45Å
436	T	24.1	Very low	26.3	Very low	100 Å²	100	116.9 Å²	116.9	61%	0.613	65%	0.647	S	S	*	*			trans	-73.8	123.9	-168.1	38.6	0	0	0	0	113.1	E438	T436-E438 PolarHBondContact O-N 2.92Å; T436-E438 VanDerWaalsContact O-N 3.1Å
437	C	25	Very low	26.7	Very low	117 Å²	117	113.3 Å²	113.3	79%	0.791	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	38	-179	-150.1	0	0	0	0	112.3	G435	G435-C437 PolarHBondContact O-N 3.45Å
438	E	26.9	Very low	27.1	Very low	135 Å²	135	113 Å²	113	63%	0.631	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-20	-166.3	-63.9	175	156.4	0	0	112.7	T436 S440 E441 L442	T436-E438 PolarHBondContact O-N 2.92Å; T436-E438 VanDerWaalsContact O-N 3.1Å; E438-S440 PolarHBondContact O-N 3.42Å; E438-E441 PolarHBondContact O-N 3.14Å; E438-L442 PolarHBondContact O-N 2.98Å
439	T	30.2	Very low	27.4	Very low	81 Å²	81	108.5 Å²	108.5	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-68.4	-32.6	-175.7	44.1	0	0	0	0	113.9	T443	T439-T443 PolarHBondContact O-N 3.45Å; T439-T443 PolarHBondContact O-OG1 3.19Å
440	S	31.2	Very low	27.8	Very low	65 Å²	65	107 Å²	107	46%	0.455	57%	0.574	S	S	.	*	H	α-helix	trans	-74.3	-34.5	176.8	54.9	0	0	0	0	113.1	E438 L442 T443 H444	E438-S440 PolarHBondContact O-N 3.42Å; S440-L442 VanDerWaalsContact C-N 3.34Å; S440-T443 PolarHBondContact O-OG1 2.9Å; S440-T443 VanDerWaalsContact O-OG1 3.1Å; S440-H444 PolarHBondContact O-CD2 3.36Å; S440-H444 VanDerWaalsContact O-CD2 3.28Å; S440-H444 PolarHBondContact O-N 2.89Å
441	E	28.3	Very low	28.1	Very low	116 Å²	116	104.7 Å²	104.7	54%	0.542	56%	0.555	S	S	.	*	H	α-helix	trans	-72.9	-32.4	177.8	-143.7	-154.6	171.4	0	0	111.1	E438 K445	E438-E441 PolarHBondContact O-N 3.14Å; E441-K445 WeakPolarHBondContact O-CB 3.47Å; E441-K445 WeakPolarHBondContact O-CD 3.35Å; E441-K445 VanDerWaalsContact O-CG 3.26Å; E441-K445 WeakPolarHBondContact O-CG 3.11Å; E441-K445 PolarHBondContact O-N 2.86Å; E441-K445 VanDerWaalsContact O-N 3.12Å; E441-K445 VanDerWaalsContact OE1-CE 3.27Å; E441-K445 WeakPolarHBondContact OE1-CE 3.08Å; E441-K445 IonicContact OE1-NZ 3.31Å; E441-K445 PolarHBondContact OE1-NZ 3.28Å; E441-K445 IonicContact OE2-NZ 2.65Å; E441-K445 PolarHBondContact OE2-NZ 3.37Å
442	L	29.4	Very low	28.5	Very low	102 Å²	102	100.5 Å²	100.5	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-70.8	-43.4	176	-160	74.6	0	0	0	112.2	E438 S440 K445 I446	E438-L442 PolarHBondContact O-N 2.98Å; S440-L442 VanDerWaalsContact C-N 3.34Å; L442-K445 PolarHBondContact O-N 3.27Å; L442-I446 HydrophobicContact CG-CD1 4.16Å; L442-I446 VanDerWaalsContact O-CG1 3.29Å; L442-I446 WeakPolarHBondContact O-CG1 3.28Å; L442-I446 PolarHBondContact O-N 3.31Å
443	T	30	Very low	28.9	Very low	71 Å²	71	99.3 Å²	99.3	44%	0.436	54%	0.54	S	S	.	.	H	α-helix	trans	-63.8	-42.7	176.5	46.2	0	0	0	0	112.1	T439 S440 I446 V447	T439-T443 PolarHBondContact O-N 3.45Å; T439-T443 PolarHBondContact O-OG1 3.19Å; S440-T443 PolarHBondContact O-OG1 2.9Å; S440-T443 VanDerWaalsContact O-OG1 3.1Å; T443-I446 PolarHBondContact O-N 2.8Å; T443-V447 WeakPolarHBondContact O-CG2 3.43Å; T443-V447 PolarHBondContact O-N 2.93Å
444	H	30.4	Very low	29.2	Very low	130 Å²	130	92.1 Å²	92.1	60%	0.602	52%	0.523	S	S	*	.	H	α-helix	trans	-60.1	-46.1	173.7	-85.2	-66.3	0	0	0	112.5	S440 I446 V447 D448	S440-H444 PolarHBondContact O-CD2 3.36Å; S440-H444 VanDerWaalsContact O-CD2 3.28Å; S440-H444 PolarHBondContact O-N 2.89Å; H444-I446 VanDerWaalsContact C-N 3.27Å; H444-I446 PolarHBondContact O-N 3.41Å; H444-V447 PolarHBondContact O-N 3.49Å; H444-D448 PolarHBondContact O-N 3.49Å
445	K	31.5	Very low	29.4	Very low	101 Å²	101	91 Å²	91	44%	0.439	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-33.6	176.4	-74.1	167	-173.7	167.9	0	112.7	E441 L442 M449	E441-K445 WeakPolarHBondContact O-CB 3.47Å; E441-K445 WeakPolarHBondContact O-CD 3.35Å; E441-K445 VanDerWaalsContact O-CG 3.26Å; E441-K445 WeakPolarHBondContact O-CG 3.11Å; E441-K445 PolarHBondContact O-N 2.86Å; E441-K445 VanDerWaalsContact O-N 3.12Å; E441-K445 VanDerWaalsContact OE1-CE 3.27Å; E441-K445 WeakPolarHBondContact OE1-CE 3.08Å; E441-K445 IonicContact OE1-NZ 3.31Å; E441-K445 PolarHBondContact OE1-NZ 3.28Å; E441-K445 IonicContact OE2-NZ 2.65Å; E441-K445 PolarHBondContact OE2-NZ 3.37Å; L442-K445 PolarHBondContact O-N 3.27Å; K445-M449 VanDerWaalsContact O-CB 3.32Å; K445-M449 WeakPolarHBondContact O-CB 3.41Å; K445-M449 PolarHBondContact O-N 2.88Å; K445-M449 VanDerWaalsContact O-N 3.1Å
446	I	31.6	Very low	29.5	Very low	26 Å²	26	98 Å²	98	13%	0.133	54%	0.535	C	S	.	.	H	α-helix	trans	-71.5	-41.3	175	-69.3	165.5	0	0	0	111.2	V207 L442 T443 H444 M449 V450	V207-I446 HydrophobicContact CG1-CD1 3.88Å; L442-I446 HydrophobicContact CG-CD1 4.16Å; L442-I446 VanDerWaalsContact O-CG1 3.29Å; L442-I446 WeakPolarHBondContact O-CG1 3.28Å; L442-I446 PolarHBondContact O-N 3.31Å; T443-I446 PolarHBondContact O-N 2.8Å; H444-I446 VanDerWaalsContact C-N 3.27Å; H444-I446 PolarHBondContact O-N 3.41Å; I446-M449 PolarHBondContact O-N 2.94Å; I446-V450 HydrophobicContact CG2-CG2 4.3Å; I446-V450 WeakPolarHBondContact O-CG2 3.43Å; I446-V450 PolarHBondContact O-N 3.17Å
447	V	31.4	Very low	29.6	Very low	48 Å²	48	98.6 Å²	98.6	29%	0.291	54%	0.543	S	S	.	.	H	α-helix	trans	-60.3	-46	175.2	169.6	0	0	0	0	111.2	T443 H444 M449 V450 T451 E493	T443-V447 WeakPolarHBondContact O-CG2 3.43Å; T443-V447 PolarHBondContact O-N 2.93Å; H444-V447 PolarHBondContact O-N 3.49Å; V447-M449 VanDerWaalsContact C-N 3.33Å; V447-M449 PolarHBondContact O-N 2.92Å; V447-V450 PolarHBondContact O-N 3.21Å; V447-T451 WeakPolarHBondContact O-CB 3.39Å; V447-T451 WeakPolarHBondContact O-CG2 3.37Å; V447-T451 PolarHBondContact O-N 3.3Å; V447-T451 PolarHBondContact O-OG1 3.39Å; V447-E493 HydrophobicContact CG2-CB 4.39Å
448	D	30.7	Very low	29.6	Very low	100 Å²	100	102.5 Å²	102.5	54%	0.535	55%	0.546	S	S	.	.	H	α-helix	trans	-63.1	-38.3	176.1	-74.7	-18.9	0	0	0	112	H444 T451 S452	H444-D448 PolarHBondContact O-N 3.49Å; D448-T451 WeakPolarHBondContact CA-OG1 3.41Å; D448-T451 PolarHBondContact O-OG1 3.03Å; D448-S452 WeakPolarHBondContact O-CB 3Å; D448-S452 PolarHBondContact O-N 3.15Å; D448-S452 PolarHBondContact O-OG 3.5Å
449	M	31.6	Very low	29.5	Very low	86 Å²	86	104.6 Å²	104.6	42%	0.424	56%	0.556	S	S	.	*	H	α-helix	trans	-72.1	-35.4	180	-157.8	-168.7	-43	0	0	112.8	K445 I446 V447 N453	K445-M449 VanDerWaalsContact O-CB 3.32Å; K445-M449 WeakPolarHBondContact O-CB 3.41Å; K445-M449 PolarHBondContact O-N 2.88Å; K445-M449 VanDerWaalsContact O-N 3.1Å; I446-M449 PolarHBondContact O-N 2.94Å; V447-M449 VanDerWaalsContact C-N 3.33Å; V447-M449 PolarHBondContact O-N 2.92Å; M449-N453 PolarHBondContact O-ND2 2.94Å
450	V	30.3	Very low	29.2	Very low	78 Å²	78	109.8 Å²	109.8	47%	0.473	57%	0.572	S	S	.	*	H	α-helix	trans	-74.8	-38.1	177	171.8	0	0	0	0	111.3	I446 V447	I446-V450 HydrophobicContact CG2-CG2 4.3Å; I446-V450 WeakPolarHBondContact O-CG2 3.43Å; I446-V450 PolarHBondContact O-N 3.17Å; V447-V450 PolarHBondContact O-N 3.21Å
451	T	31.4	Very low	28.8	Very low	55 Å²	55	112 Å²	112	34%	0.337	58%	0.583	S	S	.	*	H	α-helix	trans	-75.5	-43.7	178.2	53.1	0	0	0	0	112.7	V447 D448 N453 S454	V447-T451 WeakPolarHBondContact O-CB 3.39Å; V447-T451 WeakPolarHBondContact O-CG2 3.37Å; V447-T451 PolarHBondContact O-N 3.3Å; V447-T451 PolarHBondContact O-OG1 3.39Å; D448-T451 WeakPolarHBondContact CA-OG1 3.41Å; D448-T451 PolarHBondContact O-OG1 3.03Å; T451-N453 VanDerWaalsContact C-N 3.27Å; T451-N453 PolarHBondContact O-N 2.87Å; T451-S454 VanDerWaalsContact O-CB 3.31Å; T451-S454 WeakPolarHBondContact O-CB 3.17Å; T451-S454 PolarHBondContact O-N 3.32Å
452	S	31.9	Very low	28.8	Very low	80 Å²	80	114 Å²	114	56%	0.559	60%	0.597	S	S	*	*	H	α-helix	trans	-62.4	-32.5	-179.3	-61.8	0	0	0	0	113.2	D448 S454	D448-S452 WeakPolarHBondContact O-CB 3Å; D448-S452 PolarHBondContact O-N 3.15Å; D448-S452 PolarHBondContact O-OG 3.5Å; S452-S454 PolarHBondContact O-N 3.28Å
453	N	30.6	Very low	28.5	Very low	135 Å²	135	115.5 Å²	115.5	72%	0.722	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-3.2	176.2	-77.6	-50.6	0	0	0	113.9	M449 T451	M449-N453 PolarHBondContact O-ND2 2.94Å; T451-N453 VanDerWaalsContact C-N 3.27Å; T451-N453 PolarHBondContact O-N 2.87Å
454	S	30.2	Very low	28.4	Very low	83 Å²	83	119.7 Å²	119.7	58%	0.58	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-7.2	179.7	-164.9	0	0	0	0	114.5	T451 S452 K456	T451-S454 VanDerWaalsContact O-CB 3.31Å; T451-S454 WeakPolarHBondContact O-CB 3.17Å; T451-S454 PolarHBondContact O-N 3.32Å; S452-S454 PolarHBondContact O-N 3.28Å; S454-K456 PolarHBondContact O-N 3.15Å
455	I	27.1	Very low	28.2	Very low	142 Å²	142	119.8 Å²	119.8	73%	0.728	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	64.2	-170.6	-47.1	179.2	0	0	0	111.2
456	K	24.7	Very low	27.9	Very low	208 Å²	208	123 Å²	123	90%	0.904	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.9	21.1	173.8	-117.4	161.8	-168.5	174.1	0	117.9	S454	S454-K456 PolarHBondContact O-N 3.15Å
457	S	27.1	Very low	27.8	Very low	112 Å²	112	129.7 Å²	129.7	78%	0.783	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-93.8	135.5	164.4	40.6	0	0	0	0	110.6
458	K	25.8	Very low	27.4	Very low	199 Å²	199	136 Å²	136	87%	0.865	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-79.5	157.6	-170.3	-67.1	172.4	-179.9	171.7	0	112.7	F460	K458-F460 PolarHBondContact O-N 2.83Å
459	E	24.1	Very low	27.1	Very low	179 Å²	179	137.1 Å²	137.1	84%	0.836	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-47.8	134.1	164.2	-62.9	163.5	103.1	0	0	111.1
460	F	24.7	Very low	26.8	Very low	190 Å²	190	142 Å²	142	83%	0.833	74%	0.74	S	S	*	*			trans	-127.3	85.8	165.7	-125.7	-83.1	0	0	0	109.6	K458 L462	K458-F460 PolarHBondContact O-N 2.83Å; F460-L462 PolarHBondContact O-N 2.93Å
461	T	22.3	Very low	26.5	Very low	110 Å²	110	147.4 Å²	147.4	68%	0.675	76%	0.758	S	S	*	*			trans	-71.5	87.9	-177.7	-47.4	0	0	0	0	110.7	L463	T461-L463 HydrophobicContact CG2-CD1 4.4Å; T461-L463 PolarHBondContact O-N 3.15Å; T461-L463 VanDerWaalsContact O-N 3.11Å
462	L	27.8	Very low	26.1	Very low	160 Å²	160	152.4 Å²	152.4	84%	0.838	78%	0.777	S	S	*	*			trans	-81	86.1	171.2	-97.2	167.3	0	0	0	110.8	F460 N464	F460-L462 PolarHBondContact O-N 2.93Å; L462-N464 PolarHBondContact O-N 3.37Å
463	L	24.4	Very low	25.8	Very low	133 Å²	133	157.6 Å²	157.6	70%	0.696	79%	0.793	S	S	*	*			trans	-63.8	117	159.6	-85.5	140.2	0	0	0	109.8	T461	T461-L463 HydrophobicContact CG2-CD1 4.4Å; T461-L463 PolarHBondContact O-N 3.15Å; T461-L463 VanDerWaalsContact O-N 3.11Å
464	N	27.9	Very low	25.4	Very low	159 Å²	159	155.5 Å²	155.5	85%	0.85	79%	0.785	S	S	*	*				-161	147.6	124.9	-99.7	-21	0	0	0	110.8	L462	L462-N464 PolarHBondContact O-N 3.37Å
465	N	24.6	Very low	25.3	Very low	131 Å²	131	156 Å²	156	70%	0.701	79%	0.789	S	S	*	*			trans	-86	-179	-176.4	-64.4	-28.8	0	0	0	111.9
466	E	26.1	Very low	25.3	Very low	168 Å²	168	154.5 Å²	154.5	79%	0.785	78%	0.782	S	S	*	*			trans	68.3	78.3	157.8	-68.5	155.4	-129.5	0	0	116.1
467	N	28.9	Very low	25.2	Very low	168 Å²	168	148.5 Å²	148.5	90%	0.898	77%	0.765	S	S	*	*				-163.1	163.4	97.1	-100.5	-65.4	0	0	0	113.3
468	Q	23	Very low	25.2	Very low	179 Å²	179	147.3 Å²	147.3	84%	0.836	75%	0.753	S	S	*	*			trans	-84.1	136.1	-173.9	-63.4	173.7	-8.5	0	0	113
469	T	25.5	Very low	25.4	Very low	124 Å²	124	143.7 Å²	143.7	76%	0.761	74%	0.742	S	S	*	*			trans	-166.3	131.2	131.7	5.4	0	0	0	0	110.6	F471	T469-F471 PolarHBondContact O-N 2.9Å; T469-F471 VanDerWaalsContact O-N 3.08Å
470	E	23.9	Very low	25.5	Very low	189 Å²	189	141 Å²	141	88%	0.883	73%	0.733	S	S	*	*			trans	-72.4	97.9	167.8	-71.1	-176.4	116.8	0	0	109.2	Q472	E470-Q472 VanDerWaalsContact C-N 3.3Å; E470-Q472 PolarHBondContact O-N 3.36Å
471	F	24.1	Very low	25.6	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.842	73%	0.728	S	S	*	*			trans	-70.6	90.4	169.8	-114.5	-87.7	0	0	0	109.5	T469 Q473	T469-F471 PolarHBondContact O-N 2.9Å; T469-F471 VanDerWaalsContact O-N 3.08Å; F471-Q473 PolarHBondContact O-N 2.67Å
472	Q	24.2	Very low	26.2	Very low	160 Å²	160	138 Å²	138	75%	0.748	72%	0.721	S	S	*	*			trans	-53	129.8	169.3	-72.5	-170.6	-10.6	0	0	109.2	E470 T474	E470-Q472 VanDerWaalsContact C-N 3.3Å; E470-Q472 PolarHBondContact O-N 3.36Å; Q472-T474 PolarHBondContact O-N 3.46Å
473	Q	24.3	Very low	26.9	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	71%	0.71	S	S	*	*			trans	-76.2	72.7	-169.2	-161.9	174.1	33	0	0	111.1	F471 S475	F471-Q473 PolarHBondContact O-N 2.67Å; Q473-S475 PolarHBondContact O-N 3.5Å
474	T	23.8	Very low	27.9	Very low	91 Å²	91	130 Å²	130	56%	0.558	69%	0.685	S	S	*	*			trans	-61.8	123.9	179.2	54.3	0	0	0	0	109.8	Q472 N476	Q472-T474 PolarHBondContact O-N 3.46Å; T474-N476 PolarHBondContact O-N 3.32Å
475	S	27.5	Very low	28.8	Very low	95 Å²	95	123.9 Å²	123.9	66%	0.664	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-0.1	-163.1	56.5	0	0	0	0	116.4	Q473	Q473-S475 PolarHBondContact O-N 3.5Å
476	N	25.9	Very low	29.8	Very low	110 Å²	110	118 Å²	118	59%	0.588	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-26.2	-172.9	-64.6	-4.6	0	0	0	113	T474 V478 L479	T474-N476 PolarHBondContact O-N 3.32Å; N476-V478 VanDerWaalsContact C-N 3.32Å; N476-V478 PolarHBondContact O-N 2.92Å; N476-L479 PolarHBondContact O-N 2.89Å
477	C	23	Very low	30.9	Very low	82 Å²	82	110.5 Å²	110.5	55%	0.554	59%	0.588	S	S	*	*	H	α-helix	trans	-70.1	-27.2	-177.1	-64.2	0	0	0	0	113.4	L479 L480	C477-L479 VanDerWaalsContact C-N 3.3Å; C477-L479 PolarHBondContact O-N 3.49Å; C477-L480 PolarHBondContact O-N 3.11Å
478	V	27.1	Very low	31.8	Very low	87 Å²	87	105.5 Å²	105.5	53%	0.527	58%	0.576	S	S	.	*	H	α-helix	trans	-68.5	-31.1	176.1	-178.7	0	0	0	0	111.6	N476 L480 L481	N476-V478 VanDerWaalsContact C-N 3.32Å; N476-V478 PolarHBondContact O-N 2.92Å; V478-L480 VanDerWaalsContact C-N 3.28Å; V478-L480 PolarHBondContact O-N 2.95Å; V478-L481 PolarHBondContact O-N 3.1Å
479	L	29.3	Very low	33	Very low	122 Å²	122	100.3 Å²	100.3	64%	0.639	55%	0.554	S	S	*	*	H	α-helix	trans	-67.7	-28.7	177.5	-67.7	167.1	0	0	0	112.4	N476 C477	N476-L479 PolarHBondContact O-N 2.89Å; C477-L479 VanDerWaalsContact C-N 3.3Å; C477-L479 PolarHBondContact O-N 3.49Å
480	L	27	Very low	34.1	Very low	122 Å²	122	95.8 Å²	95.8	64%	0.639	53%	0.525	S	S	*	.	H	α-helix	trans	-79	-22.6	179.1	-68	173.1	0	0	0	113.5	C477 V478 N482 S483	C477-L480 PolarHBondContact O-N 3.11Å; V478-L480 VanDerWaalsContact C-N 3.28Å; V478-L480 PolarHBondContact O-N 2.95Å; L480-N482 PolarHBondContact O-N 2.79Å; L480-S483 WeakPolarHBondContact O-CB 3.48Å; L480-S483 PolarHBondContact O-N 3.18Å; L480-S483 PolarHBondContact O-OG 3.46Å
481	L	27.9	Very low	35.2	Very low	139 Å²	139	89 Å²	89	73%	0.728	50%	0.497	S	S	*	.	H	α-helix	trans	-68.9	-21.9	173.2	-77.3	161.9	0	0	0	112.6	V478	V478-L481 PolarHBondContact O-N 3.1Å
482	N	34.4	Very low	36.3	Very low	99 Å²	99	87.1 Å²	87.1	53%	0.529	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	4.6	174.8	-65.8	-16	0	0	0	113.6	L480 H484	L480-N482 PolarHBondContact O-N 2.79Å; N482-H484 VanDerWaalsContact C-N 3.34Å; N482-H484 PolarHBondContact O-N 3.21Å
483	S	42.3	Very low	37.6	Very low	86 Å²	86	84.6 Å²	84.6	60%	0.601	48%	0.479	S	S	*	.			trans	-72.3	-16.3	-166.2	59.4	0	0	0	0	116.1	L480	L480-S483 WeakPolarHBondContact O-CB 3.48Å; L480-S483 PolarHBondContact O-N 3.18Å; L480-S483 PolarHBondContact O-OG 3.46Å
484	H	44.7	Very low	38.7	Very low	38 Å²	38	77.8 Å²	77.8	18%	0.176	45%	0.448	C	S	.	.	S	Bend	trans	-75.6	121.1	-179	-176.7	-70.7	0	0	0	110.4	N482 V486 L487 A503 C507	N482-H484 VanDerWaalsContact C-N 3.34Å; N482-H484 PolarHBondContact O-N 3.21Å; H484-V486 VanDerWaalsContact C-N 3.3Å; H484-V486 PolarHBondContact ND1-N 3.02Å; H484-V486 PolarHBondContact O-N 3.15Å; H484-L487 HydrophobicContact CB-CD1 3.97Å; H484-L487 HydrophobicContact CB-CG 4.16Å; H484-L487 VanDerWaalsContact O-CB 3.27Å; H484-L487 WeakPolarHBondContact O-CB 3.4Å; H484-L487 WeakPolarHBondContact O-CG 3.37Å; H484-L487 PolarHBondContact O-N 2.81Å; H484-A503 HydrophobicContact CB-CB 4.21Å; H484-A503 PolarHBondContact CE1-O 3.17Å; H484-A503 VanDerWaalsContact CE1-O 3.3Å; H484-C507 VanDerWaalsContact CE1-CB 3.47Å; H484-C507 WeakPolarHBondContact CE1-CB 3.45Å; H484-C507 VanDerWaalsContact CE1-SG 3.57Å
485	P	46.4	Very low	40.2	Very low	32 Å²	32	74.2 Å²	74.2	21%	0.208	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-56.7	-36	-163.2	-25.9	30.9	0	0	0	115.8	L487 G488 L521 V525	P485-L487 PolarHBondContact O-N 3.17Å; P485-G488 PolarHBondContact O-N 3.03Å; P485-L521 HydrophobicContact CB-CD2 3.72Å; P485-V525 HydrophobicContact CG-CG2 3.58Å
486	V	47.3	Very low	41.5	Very low	6 Å²	6	73.4 Å²	73.4	4%	0.036	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.4	175.5	174.9	0	0	0	0	113	H484 G488 L489 L490 I506 C507	H484-V486 VanDerWaalsContact C-N 3.3Å; H484-V486 PolarHBondContact ND1-N 3.02Å; H484-V486 PolarHBondContact O-N 3.15Å; V486-G488 VanDerWaalsContact C-N 3.28Å; V486-G488 PolarHBondContact O-N 3.37Å; V486-L489 PolarHBondContact O-N 2.86Å; V486-L489 VanDerWaalsContact O-N 3.11Å; V486-L490 HydrophobicContact CG1-CD1 4.06Å; V486-L490 WeakPolarHBondContact O-CD1 3.37Å; V486-L490 WeakPolarHBondContact O-CG 3.47Å; V486-I506 HydrophobicContact CG1-CB 4.12Å; V486-I506 HydrophobicContact CG1-CG2 3.64Å; V486-C507 HydrophobicContact CG2-CB 4.02Å
487	L	47.9	Very low	42.9	Very low	12 Å²	12	72.7 Å²	72.7	6%	0.063	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-65.9	-32.2	175.5	-60.3	176.6	0	0	0	111.9	H484 P485 L489 L490 A495 M498 A503	H484-L487 HydrophobicContact CB-CD1 3.97Å; H484-L487 HydrophobicContact CB-CG 4.16Å; H484-L487 VanDerWaalsContact O-CB 3.27Å; H484-L487 WeakPolarHBondContact O-CB 3.4Å; H484-L487 WeakPolarHBondContact O-CG 3.37Å; H484-L487 PolarHBondContact O-N 2.81Å; P485-L487 PolarHBondContact O-N 3.17Å; L487-L489 PolarHBondContact O-N 2.93Å; L487-L490 PolarHBondContact O-N 3.36Å; L487-A495 HydrophobicContact CB-CB 4.48Å; L487-M498 HydrophobicContact CD2-CB 3.57Å; L487-M498 HydrophobicContact CD2-CG 3.67Å; L487-A503 HydrophobicContact CD2-CB 3.89Å; L487-A503 HydrophobicContact CG-CB 4.15Å
488	G	49.2	Very low	44.7	Very low	62 Å²	62	70.3 Å²	70.3	64%	0.639	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-75	-6.6	173.6	0	0	0	0	0	114.5	P485 V486	P485-G488 PolarHBondContact O-N 3.03Å; V486-G488 VanDerWaalsContact C-N 3.28Å; V486-G488 PolarHBondContact O-N 3.37Å
489	L	47.4	Very low	46.1	Very low	71 Å²	71	69.3 Å²	69.3	37%	0.372	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-103.1	-0.9	175.8	-58.5	177.8	0	0	0	112.8	V486 L487 L521	V486-L489 PolarHBondContact O-N 2.86Å; V486-L489 VanDerWaalsContact O-N 3.11Å; L487-L489 PolarHBondContact O-N 2.93Å; L489-L521 HydrophobicContact CD1-CD1 4.23Å
490	L	49.3	Very low	46.9	Very low	28 Å²	28	68 Å²	68	15%	0.147	39%	0.391	C	S	.	.	S	Bend	trans	-109.4	151.4	-174.3	-74.2	166.5	0	0	0	111.9	V486 L487 M494 A495 M498	V486-L490 HydrophobicContact CG1-CD1 4.06Å; V486-L490 WeakPolarHBondContact O-CD1 3.37Å; V486-L490 WeakPolarHBondContact O-CG 3.47Å; L487-L490 PolarHBondContact O-N 3.36Å; L490-M494 HydrophobicContact CB-CB 4.41Å; L490-A495 HydrophobicContact CB-CB 4.45Å; L490-M498 HydrophobicContact CD1-CE 3.55Å
491	P	46.3	Very low	47.9	Very low	47 Å²	47	70.1 Å²	70.1	31%	0.305	39%	0.392	S	S	.	.			trans	-54	145.6	168	-24.4	34.3	0	0	0	111.5	E493 M494 A495	P491-E493 VanDerWaalsContact C-N 3.25Å; P491-E493 PolarHBondContact O-N 2.96Å; P491-M494 HydrophobicContact CB-CG 4.27Å; P491-M494 HydrophobicContact CG-CG 4.41Å; P491-M494 HydrophobicContact CG-SD 4.15Å; P491-M494 WeakPolarHBondContact O-CA 3.38Å; P491-M494 WeakPolarHBondContact O-CB 3.43Å; P491-M494 PolarHBondContact O-N 3.26Å; P491-A495 PolarHBondContact O-N 3.38Å
492	H	48	Very low	49.3	Very low	152 Å²	152	68.1 Å²	68.1	70%	0.704	38%	0.378	S	S	*	.	H	α-helix	trans	-58	-36.9	-171.8	-178.3	-77.5	0	0	0	112.7	M494 A495 S496	H492-M494 VanDerWaalsContact C-N 3.28Å; H492-M494 PolarHBondContact O-N 2.82Å; H492-A495 PolarHBondContact O-N 2.86Å; H492-S496 WeakPolarHBondContact O-CB 3.49Å; H492-S496 PolarHBondContact O-N 3.35Å; H492-S496 PolarHBondContact O-OG 3.43Å
493	E	51	Low	50.3	Low	108 Å²	108	63.4 Å²	63.4	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-68.7	-25.7	177.1	-50.9	83.5	173.6	0	0	112.8	V447 P491 N497	V447-E493 HydrophobicContact CG2-CB 4.39Å; P491-E493 VanDerWaalsContact C-N 3.25Å; P491-E493 PolarHBondContact O-N 2.96Å; E493-N497 PolarHBondContact O-ND2 3.46Å
494	M	47.9	Very low	50.5	Low	45 Å²	45	62.4 Å²	62.4	22%	0.222	35%	0.345	C	S	.	.	H	α-helix	trans	-83.9	-43.8	173.9	-58.2	-168.6	84.8	0	0	110.5	L210 L490 P491 H492 S496 N497 M498	L210-M494 HydrophobicContact CD1-CE 4.39Å; L490-M494 HydrophobicContact CB-CB 4.41Å; P491-M494 HydrophobicContact CB-CG 4.27Å; P491-M494 HydrophobicContact CG-CG 4.41Å; P491-M494 HydrophobicContact CG-SD 4.15Å; P491-M494 WeakPolarHBondContact O-CA 3.38Å; P491-M494 WeakPolarHBondContact O-CB 3.43Å; P491-M494 PolarHBondContact O-N 3.26Å; H492-M494 VanDerWaalsContact C-N 3.28Å; H492-M494 PolarHBondContact O-N 2.82Å; M494-S496 PolarHBondContact O-N 3.41Å; M494-N497 PolarHBondContact O-N 2.86Å; M494-M498 WeakPolarHBondContact O-CB 3.21Å; M494-M498 PolarHBondContact O-N 2.86Å
495	A	54.6	Low	50.7	Low	16 Å²	16	66.5 Å²	66.5	13%	0.132	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-43.9	178.7	0	0	0	0	0	112.3	L487 L490 P491 H492 N497 M498	L487-A495 HydrophobicContact CB-CB 4.48Å; L490-A495 HydrophobicContact CB-CB 4.45Å; P491-A495 PolarHBondContact O-N 3.38Å; H492-A495 PolarHBondContact O-N 2.86Å; A495-N497 PolarHBondContact O-N 3.3Å; A495-M498 WeakPolarHBondContact O-CB 3.45Å; A495-M498 PolarHBondContact O-N 3.1Å
496	S	54	Low	51.3	Low	77 Å²	77	66.4 Å²	66.4	54%	0.538	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.3	-179.3	65.9	0	0	0	0	114.8	H492 M494	H492-S496 WeakPolarHBondContact O-CB 3.49Å; H492-S496 PolarHBondContact O-N 3.35Å; H492-S496 PolarHBondContact O-OG 3.43Å; M494-S496 PolarHBondContact O-N 3.41Å
497	N	54.9	Low	51.5	Low	95 Å²	95	66.8 Å²	66.8	51%	0.508	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	4.6	178.8	-71.5	-61.2	0	0	0	113.1	E493 M494 A495 K502	E493-N497 PolarHBondContact O-ND2 3.46Å; M494-N497 PolarHBondContact O-N 2.86Å; A495-N497 PolarHBondContact O-N 3.3Å; N497-K502 PolarHBondContact O-NZ 2.82Å
498	M	62.2	Low	51.5	Low	33 Å²	33	72.6 Å²	72.6	16%	0.163	39%	0.39	C	S	.	.			trans	-100.7	107.8	-174.4	-161.3	79.3	74.9	0	0	110.9	L487 L490 M494 A495 K502 A503 I506	L487-M498 HydrophobicContact CD2-CB 3.57Å; L487-M498 HydrophobicContact CD2-CG 3.67Å; L490-M498 HydrophobicContact CD1-CE 3.55Å; M494-M498 WeakPolarHBondContact O-CB 3.21Å; M494-M498 PolarHBondContact O-N 2.86Å; A495-M498 WeakPolarHBondContact O-CB 3.45Å; A495-M498 PolarHBondContact O-N 3.1Å; M498-K502 HydrophobicContact CG-CB 3.94Å; M498-K502 HydrophobicContact SD-CB 3.39Å; M498-K502 WeakPolarHBondContact SD-CB 3.3Å; M498-K502 HydrophobicContact SD-CD 3.94Å; M498-K502 HydrophobicContact SD-CG 4.31Å; M498-A503 HydrophobicContact CG-CB 4Å; M498-I506 HydrophobicContact CE-CD1 3.4Å; M498-I506 HydrophobicContact SD-CD1 3.74Å
499	D	55.8	Low	51.5	Low	66 Å²	66	72.2 Å²	72.2	35%	0.353	37%	0.373	S	S	.	.			trans	-67.5	158.2	166.4	56.9	75.9	0	0	0	111.5	Y501 K502 A503	D499-Y501 PolarHBondContact O-N 3.47Å; D499-Y501 VanDerWaalsContact O-N 3.15Å; D499-Y501 WeakPolarHBondContact OD1-CB 3.24Å; D499-Y501 PolarHBondContact OD1-N 3.21Å; D499-K502 PolarHBondContact O-N 2.91Å; D499-K502 VanDerWaalsContact O-N 3.15Å; D499-K502 WeakPolarHBondContact OD1-CG 3.46Å; D499-K502 PolarHBondContact OD1-N 2.91Å; D499-K502 WeakPolarHBondContact OD2-CD 3.29Å; D499-K502 WeakPolarHBondContact OD2-CE 3.5Å; D499-K502 WeakPolarHBondContact OD2-CG 3.28Å; D499-K502 IonicContact OD2-NZ 2.99Å; D499-K502 PolarHBondContact OD2-NZ 3.25Å; D499-A503 PolarHBondContact O-N 2.99Å
500	S	47	Very low	51.6	Low	93 Å²	93	69.8 Å²	69.8	65%	0.65	36%	0.361	S	S	*	.	H	α-helix	trans	-59.2	-27	-177.7	53.9	0	0	0	0	113.5	S504	S500-S504 WeakPolarHBondContact O-CB 3.31Å; S500-S504 PolarHBondContact O-N 2.78Å
501	Y	48.3	Very low	51.5	Low	168 Å²	168	71.5 Å²	71.5	66%	0.659	37%	0.37	S	S	*	.	H	α-helix	trans	-73.9	-43.4	176.6	172.8	-108.3	0	0	0	112	D499 S504 K505	D499-Y501 PolarHBondContact O-N 3.47Å; D499-Y501 VanDerWaalsContact O-N 3.15Å; D499-Y501 WeakPolarHBondContact OD1-CB 3.24Å; D499-Y501 PolarHBondContact OD1-N 3.21Å; Y501-S504 PolarHBondContact O-N 3.23Å; Y501-K505 WeakPolarHBondContact O-CB 3.46Å; Y501-K505 PolarHBondContact O-N 3.44Å
502	K	57.3	Low	51.6	Low	97 Å²	97	77.2 Å²	77.2	42%	0.422	39%	0.39	S	S	.	.	H	α-helix	trans	-61.8	-43.8	169	-67.1	170	-171.7	135.3	0	111.3	N497 M498 D499 S504 K505 I506	N497-K502 PolarHBondContact O-NZ 2.82Å; M498-K502 HydrophobicContact CG-CB 3.94Å; M498-K502 HydrophobicContact SD-CB 3.39Å; M498-K502 WeakPolarHBondContact SD-CB 3.3Å; M498-K502 HydrophobicContact SD-CD 3.94Å; M498-K502 HydrophobicContact SD-CG 4.31Å; D499-K502 PolarHBondContact O-N 2.91Å; D499-K502 VanDerWaalsContact O-N 3.15Å; D499-K502 WeakPolarHBondContact OD1-CG 3.46Å; D499-K502 PolarHBondContact OD1-N 2.91Å; D499-K502 WeakPolarHBondContact OD2-CD 3.29Å; D499-K502 WeakPolarHBondContact OD2-CE 3.5Å; D499-K502 WeakPolarHBondContact OD2-CG 3.28Å; D499-K502 IonicContact OD2-NZ 2.99Å; D499-K502 PolarHBondContact OD2-NZ 3.25Å; K502-S504 PolarHBondContact O-N 3Å; K502-K505 PolarHBondContact O-N 3.17Å; K502-I506 WeakPolarHBondContact O-CG1 3.34Å; K502-I506 PolarHBondContact O-N 3.31Å
503	A	54.9	Low	51.5	Low	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.2	-45.8	178.5	0	0	0	0	0	111.7	H484 L487 M498 D499 K505 I506 C507	H484-A503 HydrophobicContact CB-CB 4.21Å; H484-A503 PolarHBondContact CE1-O 3.17Å; H484-A503 VanDerWaalsContact CE1-O 3.3Å; L487-A503 HydrophobicContact CD2-CB 3.89Å; L487-A503 HydrophobicContact CG-CB 4.15Å; M498-A503 HydrophobicContact CG-CB 4Å; D499-A503 PolarHBondContact O-N 2.99Å; A503-K505 PolarHBondContact O-N 2.95Å; A503-I506 PolarHBondContact O-N 3.28Å; A503-C507 WeakPolarHBondContact O-CB 3.46Å; A503-C507 PolarHBondContact O-N 2.98Å
504	S	45.7	Very low	51.4	Low	65 Å²	65	69.6 Å²	69.6	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-39.5	173.3	-179.6	0	0	0	0	112.5	S500 Y501 K502 C507 H508	S500-S504 WeakPolarHBondContact O-CB 3.31Å; S500-S504 PolarHBondContact O-N 2.78Å; Y501-S504 PolarHBondContact O-N 3.23Å; K502-S504 PolarHBondContact O-N 3Å; S504-C507 WeakPolarHBondContact O-CA 3.5Å; S504-C507 WeakPolarHBondContact O-CB 3.37Å; S504-C507 PolarHBondContact O-N 3Å; S504-H508 PolarHBondContact O-N 3.42Å
505	K	50	Low	51.3	Low	123 Å²	123	71.2 Å²	71.2	54%	0.535	37%	0.367	S	S	.	.	H	α-helix	trans	-67.6	-35.2	177.1	-171.7	162.2	-174.6	163.6	0	113	Y501 K502 A503 L509	Y501-K505 WeakPolarHBondContact O-CB 3.46Å; Y501-K505 PolarHBondContact O-N 3.44Å; K502-K505 PolarHBondContact O-N 3.17Å; A503-K505 PolarHBondContact O-N 2.95Å; K505-L509 WeakPolarHBondContact O-CG 3.43Å; K505-L509 PolarHBondContact O-N 3.21Å
506	I	57.7	Low	51	Low	30 Å²	30	75.9 Å²	75.9	15%	0.154	39%	0.39	C	S	.	.	H	α-helix	trans	-69.8	-41.4	170.6	-62.9	167.2	0	0	0	109.7	V486 M498 K502 A503 H508 L509 C510	V486-I506 HydrophobicContact CG1-CB 4.12Å; V486-I506 HydrophobicContact CG1-CG2 3.64Å; M498-I506 HydrophobicContact CE-CD1 3.4Å; M498-I506 HydrophobicContact SD-CD1 3.74Å; K502-I506 WeakPolarHBondContact O-CG1 3.34Å; K502-I506 PolarHBondContact O-N 3.31Å; A503-I506 PolarHBondContact O-N 3.28Å; I506-H508 VanDerWaalsContact C-N 3.3Å; I506-H508 PolarHBondContact O-N 3.2Å; I506-L509 PolarHBondContact O-N 3.28Å; I506-C510 PolarHBondContact O-N 3.23Å; I506-C510 PolarHBondContact O-SG 3.46Å; I506-C510 VanDerWaalsContact O-SG 3.39Å
507	C	51.5	Low	50.7	Low	14 Å²	14	77.8 Å²	77.8	10%	0.095	39%	0.39	C	S	.	.	H	α-helix	trans	-51	-48.5	173.3	-150.7	0	0	0	0	112.3	H484 V486 A503 S504 L509 C510 L511 M518	H484-C507 VanDerWaalsContact CE1-CB 3.47Å; H484-C507 WeakPolarHBondContact CE1-CB 3.45Å; H484-C507 VanDerWaalsContact CE1-SG 3.57Å; V486-C507 HydrophobicContact CG2-CB 4.02Å; A503-C507 WeakPolarHBondContact O-CB 3.46Å; A503-C507 PolarHBondContact O-N 2.98Å; S504-C507 WeakPolarHBondContact O-CA 3.5Å; S504-C507 WeakPolarHBondContact O-CB 3.37Å; S504-C507 PolarHBondContact O-N 3Å; C507-L509 VanDerWaalsContact C-N 3.28Å; C507-L509 PolarHBondContact O-N 3.35Å; C507-C510 PolarHBondContact O-N 3.12Å; C507-L511 VanDerWaalsContact O-CB 3.29Å; C507-L511 WeakPolarHBondContact O-CB 3.26Å; C507-L511 WeakPolarHBondContact O-CD1 3.45Å; C507-L511 WeakPolarHBondContact O-CG 3.37Å; C507-L511 PolarHBondContact O-N 3.22Å; C507-M518 VanDerWaalsContact SG-CE 3.59Å
508	H	49.2	Very low	50.3	Low	135 Å²	135	73.7 Å²	73.7	63%	0.625	37%	0.368	S	S	*	.	H	α-helix	trans	-66.3	-27.8	180	-171.3	74.9	0	0	0	113.5	S504 I506	S504-H508 PolarHBondContact O-N 3.42Å; I506-H508 VanDerWaalsContact C-N 3.3Å; I506-H508 PolarHBondContact O-N 3.2Å
509	L	49	Very low	49.6	Very low	54 Å²	54	76.5 Å²	76.5	28%	0.283	39%	0.387	S	S	.	.	H	α-helix	trans	-77	-46.4	172.8	-67.7	167.6	0	0	0	110.8	I214 K505 I506 C507 L511 K512 E513	I214-L509 HydrophobicContact CD1-CD1 3.85Å; I214-L509 HydrophobicContact CG1-CD1 4.26Å; K505-L509 WeakPolarHBondContact O-CG 3.43Å; K505-L509 PolarHBondContact O-N 3.21Å; I506-L509 PolarHBondContact O-N 3.28Å; C507-L509 VanDerWaalsContact C-N 3.28Å; C507-L509 PolarHBondContact O-N 3.35Å; L509-L511 VanDerWaalsContact C-N 3.34Å; L509-L511 PolarHBondContact O-N 3.1Å; L509-K512 WeakPolarHBondContact O-CB 3.42Å; L509-K512 PolarHBondContact O-N 3.46Å; L509-E513 PolarHBondContact O-N 3.38Å
510	C	50	Low	49.2	Very low	19 Å²	19	75.3 Å²	75.3	13%	0.128	38%	0.382	C	S	.	.	H	α-helix	trans	-60.7	-40.3	175	-63.5	0	0	0	0	112.1	I506 C507 K512 E513 F514 M518	I506-C510 PolarHBondContact O-N 3.23Å; I506-C510 PolarHBondContact O-SG 3.46Å; I506-C510 VanDerWaalsContact O-SG 3.39Å; C507-C510 PolarHBondContact O-N 3.12Å; C510-K512 PolarHBondContact O-N 3.04Å; C510-K512 VanDerWaalsContact O-N 3.15Å; C510-E513 PolarHBondContact O-N 3.43Å; C510-F514 WeakPolarHBondContact O-CA 3.47Å; C510-F514 WeakPolarHBondContact O-CB 3.41Å; C510-F514 PolarHBondContact O-N 3.42Å; C510-M518 HydrophobicContact CB-CG 4.06Å; C510-M518 HydrophobicContact CB-SD 3.96Å
511	L	46.1	Very low	49	Very low	65 Å²	65	72.3 Å²	72.3	34%	0.34	36%	0.359	S	S	.	.	H	α-helix	trans	-59.4	-22.6	173.9	-85.7	159.4	0	0	0	113.4	C507 L509 M518	C507-L511 VanDerWaalsContact O-CB 3.29Å; C507-L511 WeakPolarHBondContact O-CB 3.26Å; C507-L511 WeakPolarHBondContact O-CD1 3.45Å; C507-L511 WeakPolarHBondContact O-CG 3.37Å; C507-L511 PolarHBondContact O-N 3.22Å; L509-L511 VanDerWaalsContact C-N 3.34Å; L509-L511 PolarHBondContact O-N 3.1Å; L511-M518 HydrophobicContact CD2-CB 3.63Å; L511-M518 HydrophobicContact CD2-CE 4.4Å; L511-M518 HydrophobicContact CD2-CG 4.47Å; L511-M518 HydrophobicContact CG-CB 4.03Å; L511-M518 HydrophobicContact CG-CE 3.97Å; L511-M518 HydrophobicContact CG-CG 4.34Å
512	K	48.4	Very low	48.8	Very low	166 Å²	166	68.8 Å²	68.8	72%	0.722	35%	0.348	S	S	*	.	H	α-helix	trans	-92	-27.5	179.7	-168.8	-171.7	172.5	-161.1	0	112.9	L509 C510	L509-K512 WeakPolarHBondContact O-CB 3.42Å; L509-K512 PolarHBondContact O-N 3.46Å; C510-K512 PolarHBondContact O-N 3.04Å; C510-K512 VanDerWaalsContact O-N 3.15Å
513	E	46.3	Very low	48.5	Very low	58 Å²	58	70.1 Å²	70.1	27%	0.271	36%	0.355	S	S	.	.	H	α-helix	trans	-103.9	-24.6	-176.2	-67.7	-179.8	170.5	0	0	113.7	N193 L509 C510	N193-E513 PolarHBondContact ND2-O 3Å; L509-E513 PolarHBondContact O-N 3.38Å; C510-E513 PolarHBondContact O-N 3.43Å
514	F	48.7	Very low	48	Very low	42 Å²	42	72.6 Å²	72.6	18%	0.184	37%	0.367	C	S	.	.			trans	-129.1	62.6	-176.8	-59.5	-84.8	0	0	0	109.9	I209 C510 D516 M518	I209-F514 HydrophobicContact CD1-CE2 4.14Å; I209-F514 HydrophobicContact CD1-CZ 4.03Å; C510-F514 WeakPolarHBondContact O-CA 3.47Å; C510-F514 WeakPolarHBondContact O-CB 3.41Å; C510-F514 PolarHBondContact O-N 3.42Å; F514-D516 VanDerWaalsContact C-N 3.25Å; F514-D516 PolarHBondContact O-N 3.41Å; F514-M518 HydrophobicContact CB-CG 4.35Å; F514-M518 WeakPolarHBondContact O-CB 3.46Å; F514-M518 WeakPolarHBondContact O-CG 3.47Å; F514-M518 PolarHBondContact O-N 3.49Å
515	T	46.8	Very low	48.1	Very low	79 Å²	79	72.4 Å²	72.4	49%	0.485	36%	0.363	S	S	.	.	H	α-helix	trans	-57.7	-38.2	-174.1	47.1	0	0	0	0	112.9	T519	T515-T519 WeakPolarHBondContact O-CB 3.5Å; T515-T519 PolarHBondContact O-N 3.39Å; T515-T519 PolarHBondContact O-OG1 3.13Å
516	D	47.9	Very low	47.9	Very low	115 Å²	115	71.7 Å²	71.7	62%	0.615	36%	0.361	S	S	*	.	H	α-helix	trans	-81.7	-43.9	-168.8	-66.7	25.3	0	0	0	110.3	F514 T519	F514-D516 VanDerWaalsContact C-N 3.25Å; F514-D516 PolarHBondContact O-N 3.41Å; D516-T519 WeakPolarHBondContact O-CB 3.23Å; D516-T519 PolarHBondContact O-N 3.46Å
517	E	47.8	Very low	47.4	Very low	116 Å²	116	76.9 Å²	76.9	54%	0.542	39%	0.385	S	S	.	.	H	α-helix	trans	-68.5	-41	173.1	-61.4	83.9	174.6	0	0	112	T519 V520 L521	E517-T519 VanDerWaalsContact C-N 3.25Å; E517-T519 PolarHBondContact O-N 2.91Å; E517-V520 WeakPolarHBondContact O-CB 3.41Å; E517-V520 PolarHBondContact O-N 3.31Å; E517-L521 PolarHBondContact O-N 3.06Å
518	M	46.3	Very low	47	Very low	10 Å²	10	83.5 Å²	83.5	5%	0.049	42%	0.415	C	S	.	.	H	α-helix	trans	-73.2	-14.6	177.2	-68.4	-62.7	-54.9	0	0	113.3	C507 C510 L511 F514 V520 L521 H522	C507-M518 VanDerWaalsContact SG-CE 3.59Å; C510-M518 HydrophobicContact CB-CG 4.06Å; C510-M518 HydrophobicContact CB-SD 3.96Å; L511-M518 HydrophobicContact CD2-CB 3.63Å; L511-M518 HydrophobicContact CD2-CE 4.4Å; L511-M518 HydrophobicContact CD2-CG 4.47Å; L511-M518 HydrophobicContact CG-CB 4.03Å; L511-M518 HydrophobicContact CG-CE 3.97Å; L511-M518 HydrophobicContact CG-CG 4.34Å; F514-M518 HydrophobicContact CB-CG 4.35Å; F514-M518 WeakPolarHBondContact O-CB 3.46Å; F514-M518 WeakPolarHBondContact O-CG 3.47Å; F514-M518 PolarHBondContact O-N 3.49Å; M518-V520 VanDerWaalsContact C-N 3.31Å; M518-L521 HydrophobicContact CE-CB 3.89Å; M518-L521 HydrophobicContact CE-CD1 4.15Å; M518-L521 CarbonylContact O-C 3.33Å; M518-L521 PolarHBondContact O-N 3.43Å; M518-L521 HydrophobicContact SD-CB 4.17Å; M518-L521 HydrophobicContact SD-CD1 3.4Å; M518-L521 WeakPolarHBondContact SD-CD1 3.27Å; M518-L521 HydrophobicContact SD-CG 4.4Å; M518-H522 WeakPolarHBondContact O-CB 3.3Å; M518-H522 PolarHBondContact O-N 3.47Å
519	T	47.6	Very low	46.5	Very low	92 Å²	92	80.9 Å²	80.9	56%	0.564	41%	0.411	S	S	*	.	H	α-helix	trans	-64.3	-37.7	169	-65.3	0	0	0	0	111	T515 D516 E517 L521 H522 H523	T515-T519 WeakPolarHBondContact O-CB 3.5Å; T515-T519 PolarHBondContact O-N 3.39Å; T515-T519 PolarHBondContact O-OG1 3.13Å; D516-T519 WeakPolarHBondContact O-CB 3.23Å; D516-T519 PolarHBondContact O-N 3.46Å; E517-T519 VanDerWaalsContact C-N 3.25Å; E517-T519 PolarHBondContact O-N 2.91Å; T519-L521 VanDerWaalsContact C-N 3.33Å; T519-H522 PolarHBondContact O-N 2.81Å; T519-H523 PolarHBondContact O-N 3.44Å
520	V	46.3	Very low	45.9	Very low	41 Å²	41	86.2 Å²	86.2	25%	0.248	44%	0.439	C	S	.	.	H	α-helix	trans	-64.4	-40.7	173.4	-179.8	0	0	0	0	110.8	M111 E517 M518 H523 Q524	M111-V520 HydrophobicContact CB-CG1 4.39Å; M111-V520 HydrophobicContact CG-CG1 3.81Å; M111-V520 HydrophobicContact CG-CG2 4.01Å; M111-V520 HydrophobicContact SD-CG1 4.15Å; M111-V520 HydrophobicContact SD-CG2 3.9Å; E517-V520 WeakPolarHBondContact O-CB 3.41Å; E517-V520 PolarHBondContact O-N 3.31Å; M518-V520 VanDerWaalsContact C-N 3.31Å; V520-H523 PolarHBondContact O-N 3.37Å; V520-Q524 WeakPolarHBondContact O-CG 3.29Å; V520-Q524 PolarHBondContact O-N 2.77Å; V520-Q524 VanDerWaalsContact O-N 3.12Å
521	L	43.1	Very low	45.2	Very low	30 Å²	30	90.6 Å²	90.6	16%	0.157	46%	0.458	C	S	.	.	H	α-helix	trans	-75	-26.8	179.7	-68.3	158.1	0	0	0	112.5	P485 L489 E517 M518 T519 Q524 V525	P485-L521 HydrophobicContact CB-CD2 3.72Å; L489-L521 HydrophobicContact CD1-CD1 4.23Å; E517-L521 PolarHBondContact O-N 3.06Å; M518-L521 HydrophobicContact CE-CB 3.89Å; M518-L521 HydrophobicContact CE-CD1 4.15Å; M518-L521 CarbonylContact O-C 3.33Å; M518-L521 PolarHBondContact O-N 3.43Å; M518-L521 HydrophobicContact SD-CB 4.17Å; M518-L521 HydrophobicContact SD-CD1 3.4Å; M518-L521 WeakPolarHBondContact SD-CD1 3.27Å; M518-L521 HydrophobicContact SD-CG 4.4Å; T519-L521 VanDerWaalsContact C-N 3.33Å; L521-Q524 PolarHBondContact O-N 3.18Å; L521-V525 VanDerWaalsContact O-CG2 3.31Å; L521-V525 WeakPolarHBondContact O-CG2 3.12Å; L521-V525 PolarHBondContact O-N 2.86Å
522	H	44.1	Very low	44.8	Very low	94 Å²	94	94.7 Å²	94.7	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-63.5	-48.2	169.7	-166.2	-76.3	0	0	0	110.5	M518 T519 Q524 V525 E526	M518-H522 WeakPolarHBondContact O-CB 3.3Å; M518-H522 PolarHBondContact O-N 3.47Å; T519-H522 PolarHBondContact O-N 2.81Å; H522-Q524 VanDerWaalsContact C-N 3.31Å; H522-Q524 PolarHBondContact O-N 3.4Å; H522-V525 PolarHBondContact O-N 3.08Å; H522-V525 VanDerWaalsContact O-N 3.09Å; H522-E526 IonicContact CE1-OE1 2.67Å; H522-E526 PolarHBondContact CE1-OE1 2.71Å; H522-E526 IonicContact CE1-OE2 3.21Å; H522-E526 PolarHBondContact CE1-OE2 2.78Å; H522-E526 IonicContact ND1-OE1 3.97Å; H522-E526 IonicContact ND1-OE2 2.72Å; H522-E526 PolarHBondContact ND1-OE2 2.72Å; H522-E526 WeakPolarHBondContact O-CG 3.32Å; H522-E526 PolarHBondContact O-N 2.87Å
523	H	51.6	Low	44	Very low	124 Å²	124	91.6 Å²	91.6	57%	0.574	47%	0.471	S	S	*	.	H	α-helix	trans	-57.5	-42.9	174.3	-116	28.1	0	0	0	112.2	T519 V520 V525 E526 E527	T519-H523 PolarHBondContact O-N 3.44Å; V520-H523 PolarHBondContact O-N 3.37Å; H523-V525 VanDerWaalsContact C-N 3.34Å; H523-V525 PolarHBondContact O-N 3.13Å; H523-E526 IonicContact ND1-OE2 2.78Å; H523-E526 PolarHBondContact O-N 2.8Å; H523-E527 WeakPolarHBondContact O-CB 3.27Å; H523-E527 WeakPolarHBondContact O-CG 3.17Å; H523-E527 PolarHBondContact O-N 3.27Å
524	Q	44.5	Very low	43.5	Very low	52 Å²	52	93.2 Å²	93.2	24%	0.243	49%	0.489	C	S	.	.	H	α-helix	trans	-67.7	-29.2	176.5	-70.3	176.6	-10.9	0	0	113.5	V520 L521 H522 H528	V520-Q524 WeakPolarHBondContact O-CG 3.29Å; V520-Q524 PolarHBondContact O-N 2.77Å; V520-Q524 VanDerWaalsContact O-N 3.12Å; L521-Q524 PolarHBondContact O-N 3.18Å; H522-Q524 VanDerWaalsContact C-N 3.31Å; H522-Q524 PolarHBondContact O-N 3.4Å; Q524-H528 VanDerWaalsContact O-CB 3.27Å; Q524-H528 WeakPolarHBondContact O-CB 3.24Å; Q524-H528 PolarHBondContact O-CD2 3.21Å; Q524-H528 VanDerWaalsContact O-CD2 3.27Å; Q524-H528 PolarHBondContact O-N 3.23Å; Q524-H528 VanDerWaalsContact O-N 3.16Å
525	V	46.7	Very low	42.6	Very low	62 Å²	62	97.5 Å²	97.5	38%	0.376	51%	0.514	S	S	.	.	H	α-helix	trans	-76.1	-34.7	172.7	170.1	0	0	0	0	111.7	P485 L521 H522 H523 H528 S529	P485-V525 HydrophobicContact CG-CG2 3.58Å; L521-V525 VanDerWaalsContact O-CG2 3.31Å; L521-V525 WeakPolarHBondContact O-CG2 3.12Å; L521-V525 PolarHBondContact O-N 2.86Å; H522-V525 PolarHBondContact O-N 3.08Å; H522-V525 VanDerWaalsContact O-N 3.09Å; H523-V525 VanDerWaalsContact C-N 3.34Å; H523-V525 PolarHBondContact O-N 3.13Å; V525-H528 PolarHBondContact O-N 3.48Å; V525-S529 WeakPolarHBondContact O-CB 3.43Å; V525-S529 PolarHBondContact O-N 3.31Å; V525-S529 PolarHBondContact O-OG 2.98Å
526	E	46.5	Very low	42.1	Very low	107 Å²	107	100.2 Å²	100.2	50%	0.5	53%	0.53	S	S	.	.	H	α-helix	trans	-68	-45.3	173.4	-71.8	174.7	124.4	0	0	111	H522 H523 H528 S529	H522-E526 IonicContact CE1-OE1 2.67Å; H522-E526 PolarHBondContact CE1-OE1 2.71Å; H522-E526 IonicContact CE1-OE2 3.21Å; H522-E526 PolarHBondContact CE1-OE2 2.78Å; H522-E526 IonicContact ND1-OE1 3.97Å; H522-E526 IonicContact ND1-OE2 2.72Å; H522-E526 PolarHBondContact ND1-OE2 2.72Å; H522-E526 WeakPolarHBondContact O-CG 3.32Å; H522-E526 PolarHBondContact O-N 2.87Å; H523-E526 IonicContact ND1-OE2 2.78Å; H523-E526 PolarHBondContact O-N 2.8Å; E526-H528 VanDerWaalsContact C-N 3.26Å; E526-H528 PolarHBondContact O-N 3.31Å; E526-S529 PolarHBondContact O-N 3.1Å
527	E	46.8	Very low	41.5	Very low	139 Å²	139	99.3 Å²	99.3	65%	0.65	53%	0.533	S	S	*	.	H	α-helix	trans	-69	-18.1	175.7	-71.6	-167.7	148.6	0	0	114.2	H523	H523-E527 WeakPolarHBondContact O-CB 3.27Å; H523-E527 WeakPolarHBondContact O-CG 3.17Å; H523-E527 PolarHBondContact O-N 3.27Å
528	H	43.3	Very low	40.6	Very low	154 Å²	154	100.9 Å²	100.9	71%	0.713	55%	0.55	S	S	*	*	H	α-helix	trans	-104.4	-2.5	175	-70.3	-28.4	0	0	0	114.3	Q524 V525 E526 L530	Q524-H528 VanDerWaalsContact O-CB 3.27Å; Q524-H528 WeakPolarHBondContact O-CB 3.24Å; Q524-H528 PolarHBondContact O-CD2 3.21Å; Q524-H528 VanDerWaalsContact O-CD2 3.27Å; Q524-H528 PolarHBondContact O-N 3.23Å; Q524-H528 VanDerWaalsContact O-N 3.16Å; V525-H528 PolarHBondContact O-N 3.48Å; E526-H528 VanDerWaalsContact C-N 3.26Å; E526-H528 PolarHBondContact O-N 3.31Å; H528-L530 VanDerWaalsContact C-N 3.28Å; H528-L530 PolarHBondContact O-N 2.76Å
529	S	38.4	Very low	39.9	Very low	80 Å²	80	105.1 Å²	105.1	56%	0.559	58%	0.581	S	S	*	*	S	Bend	trans	-75.7	83.3	167.3	-68.2	0	0	0	0	109	V525 E526 E531	V525-S529 WeakPolarHBondContact O-CB 3.43Å; V525-S529 PolarHBondContact O-N 3.31Å; V525-S529 PolarHBondContact O-OG 2.98Å; E526-S529 PolarHBondContact O-N 3.1Å; S529-E531 PolarHBondContact O-N 3.23Å
530	L	35.5	Very low	39.4	Very low	165 Å²	165	108.3 Å²	108.3	86%	0.864	59%	0.593	S	S	*	*			trans	-47.7	126.6	172.2	-73	168.9	0	0	0	110.2	H528 D532	H528-L530 VanDerWaalsContact C-N 3.28Å; H528-L530 PolarHBondContact O-N 2.76Å; L530-D532 PolarHBondContact O-N 2.99Å; L530-D532 VanDerWaalsContact O-N 3.09Å
531	E	37	Very low	38.8	Very low	112 Å²	112	112.3 Å²	112.3	52%	0.523	61%	0.613	S	S	.	*			trans	-58.4	114.6	168.4	-62.1	-179.9	-166.4	0	0	108	H14 S529 N533	H14-E531 IonicContact CE1-OE1 2.65Å; H14-E531 PolarHBondContact CE1-OE1 2.99Å; H14-E531 VanDerWaalsContact CE1-OE1 3.29Å; H14-E531 IonicContact ND1-OE1 3.34Å; H14-E531 PolarHBondContact ND1-OE1 3.17Å; S529-E531 PolarHBondContact O-N 3.23Å; E531-N533 HydrophobicContact CB-CB 4.27Å; E531-N533 PolarHBondContact O-N 3.26Å; E531-N533 PolarHBondContact OE2-ND2 2.67Å
532	D	36.7	Very low	38.2	Very low	151 Å²	151	118.4 Å²	118.4	81%	0.807	64%	0.641	S	S	*	*			trans	-77.8	50.5	-177.4	-154.5	-5.6	0	0	0	111.3	L530 S534	L530-D532 PolarHBondContact O-N 2.99Å; L530-D532 VanDerWaalsContact O-N 3.09Å; D532-S534 PolarHBondContact O-N 2.98Å
533	N	32.5	Very low	37.8	Very low	101 Å²	101	121.9 Å²	121.9	54%	0.54	66%	0.657	S	S	.	*			trans	-83.6	49.1	-165.7	-104.4	-28.5	0	0	0	112	E531 N535	E531-N533 HydrophobicContact CB-CB 4.27Å; E531-N533 PolarHBondContact O-N 3.26Å; E531-N533 PolarHBondContact OE2-ND2 2.67Å; N533-N535 PolarHBondContact O-N 3.26Å
534	S	34.7	Very low	37	Very low	91 Å²	91	123.1 Å²	123.1	64%	0.636	67%	0.668	S	S	*	*			trans	-75.2	58.1	178	55	0	0	0	0	113.2	D532 V536	D532-S534 PolarHBondContact O-N 2.98Å; S534-V536 PolarHBondContact O-N 3.09Å
535	N	31.4	Very low	36.8	Very low	133 Å²	133	125 Å²	125	71%	0.711	69%	0.687	S	S	*	*			trans	-69.3	52.8	169.1	-84.9	-58.2	0	0	0	112.4	N533 S537	N533-N535 PolarHBondContact O-N 3.26Å; N535-S537 PolarHBondContact O-N 3.23Å; N535-S537 PolarHBondContact O-OG 3.47Å
536	V	35.8	Very low	36.3	Very low	135 Å²	135	129 Å²	129	82%	0.818	71%	0.705	S	S	*	*			trans	-72.9	91.3	175.7	-177.8	0	0	0	0	108.8	S534	S534-V536 PolarHBondContact O-N 3.09Å
537	S	34.6	Very low	35.7	Very low	96 Å²	96	130.3 Å²	130.3	67%	0.671	72%	0.715	S	S	*	*			trans	-71.9	146	-175.9	-63.5	0	0	0	0	112.7	N535 S539	N535-S537 PolarHBondContact O-N 3.23Å; N535-S537 PolarHBondContact O-OG 3.47Å; S537-S539 PolarHBondContact O-N 2.97Å
538	T	28.6	Very low	35.3	Very low	149 Å²	149	130.4 Å²	130.4	91%	0.914	72%	0.718	S	S	*	*			trans	-55.1	114.2	179.6	31	0	0	0	0	114.1
539	S	32.6	Very low	35.3	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	74%	0.742	S	S	*	*			trans	-164.1	165.1	161.3	54.4	0	0	0	0	110.9	S537	S537-S539 PolarHBondContact O-N 2.97Å
540	I	35.6	Very low	35.1	Very low	159 Å²	159	136.5 Å²	136.5	82%	0.815	75%	0.751	S	S	*	*			trans	64.4	88	-172.2	-43.8	170.5	0	0	0	111.4
541	N	33.9	Very low	35.1	Very low	125 Å²	125	135 Å²	135	67%	0.668	75%	0.745	S	S	*	*			cis	74.4	95	31	-158	84.7	0	0	0	116
542	E	31.8	Very low	35	Very low	157 Å²	157	136.3 Å²	136.3	73%	0.734	76%	0.758	S	S	*	*			trans	71.7	155.9	152	-64.4	-178.4	113.3	0	0	121
543	Q	34.9	Very low	34.9	Very low	168 Å²	168	135.4 Å²	135.4	79%	0.785	76%	0.755	S	S	*	*			trans	63.5	89.9	167.4	-62.7	175.1	24.4	0	0	117.8
544	N	36.4	Very low	35	Very low	150 Å²	150	137.6 Å²	137.6	80%	0.802	77%	0.768	S	S	*	*				-168.8	122.8	101.5	-94.8	-51.5	0	0	0	113.6
545	S	38.4	Very low	35.1	Very low	90 Å²	90	140.7 Å²	140.7	63%	0.629	78%	0.777	S	S	*	*			trans	71.4	123	136.1	-55.2	0	0	0	0	119.6
546	L	36.4	Very low	35.3	Very low	147 Å²	147	141.2 Å²	141.2	77%	0.77	78%	0.781	S	S	*	*				61.9	121.3	60.4	-60.1	171.6	0	0	0	111.2
547	L	35.4	Very low	35.3	Very low	135 Å²	135	141.7 Å²	141.7	71%	0.707	78%	0.779	S	S	*	*			cis	-158.6	162.6	4.5	-94.1	157.7	0	0	0	108.9
548	I	37.2	Very low	35.3	Very low	140 Å²	140	145.5 Å²	145.5	72%	0.718	79%	0.788	S	S	*	*			trans	45.7	121.2	142.3	-62.9	169.1	0	0	0	116.9
549	N	43	Very low	35.9	Very low	226 Å²	226	145.2 Å²	145.2	100%	1.209	78%	0.776	S	S	*	*			cis	-151.6	0	42.2	-147.6	17.7	0	0	0	111.7

Retrieved 549 of 549 residues in 858.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).