A0A087XTN3_POEFO Loading...

choline-phosphate cytidylyltransferase

Catalyzes the key rate-limiting step in the CDP-choline pathway for phosphatidylcholine biosynthesis.

AlphaFold DB , UniProt , Accession A0A087XTN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 377 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	32.9	Very low	249 Å²	249	149.2 Å²	149.2	100%	1.227	85%	0.847	S	S	*	*				0	128.6	0	-76.3	-177.2	177.6	0	0	107.9
2	A	30.5	Very low	32.9	Very low	98 Å²	98	145.9 Å²	145.9	81%	0.81	84%	0.841	S	S	*	*			trans	-52.9	138.4	-172.8	0	0	0	0	0	113.4
3	A	31.3	Very low	33	Very low	89 Å²	89	152.2 Å²	152.2	74%	0.736	84%	0.842	S	S	*	*				66.1	106.6	60.9	0	0	0	0	0	114.4
4	Q	29.9	Very low	33	Very low	202 Å²	202	155.6 Å²	155.6	94%	0.944	84%	0.844	S	S	*	*				169.2	144.1	107.1	-91.2	178.1	-5	0	0	113.1
5	S	31.9	Very low	33	Very low	108 Å²	108	162.1 Å²	162.1	76%	0.755	85%	0.851	S	S	*	*			trans	-106.2	147.3	171.2	165.5	0	0	0	0	108.5
6	S	31.3	Very low	32.9	Very low	110 Å²	110	163.3 Å²	163.3	77%	0.769	85%	0.848	S	S	*	*				155.7	134.6	127	53.7	0	0	0	0	115.3
7	N	31.3	Very low	33.2	Very low	161 Å²	161	167.9 Å²	167.9	86%	0.861	85%	0.851	S	S	*	*			trans	55.1	141.8	139.5	-84.6	4.1	0	0	0	126.2
8	E	39	Very low	33.2	Very low	176 Å²	176	166.4 Å²	166.4	82%	0.822	85%	0.846	S	S	*	*			trans	-46	149.8	169.2	-60.6	-177.2	125.7	0	0	116
9	L	31.3	Very low	33.5	Very low	167 Å²	167	161.6 Å²	161.6	87%	0.874	84%	0.843	S	S	*	*			trans	-157.7	124.8	144.7	-117.8	138	0	0	0	114
10	V	33.8	Very low	33.5	Very low	122 Å²	122	159.5 Å²	159.5	74%	0.739	84%	0.842	S	S	*	*			trans	-57.3	129.6	167.5	172.9	0	0	0	0	110.8
11	M	31.8	Very low	33.7	Very low	159 Å²	159	160 Å²	160	78%	0.783	85%	0.845	S	S	*	*			trans	-106.2	94.8	170.5	-69.5	-144.4	103.2	0	0	112.1
12	S	32.9	Very low	33.4	Very low	110 Å²	110	151.5 Å²	151.5	77%	0.769	82%	0.821	S	S	*	*			trans	-81.1	112.6	158.9	-67.8	0	0	0	0	109.3	K14	S12-K14 PolarHBondContact O-N 2.75Å
13	R	35	Very low	33.7	Very low	227 Å²	227	156.1 Å²	156.1	86%	0.857	83%	0.826	S	S	*	*			trans	-91.7	95.3	174.2	-78.7	-176.2	178.6	171.5	-0.1	111.2
14	K	32.2	Very low	34	Very low	200 Å²	200	158.5 Å²	158.5	87%	0.87	83%	0.832	S	S	*	*			trans	-77	121.2	165.8	-173.5	172.5	-178.9	174.8	0	109	S12 K16	S12-K14 PolarHBondContact O-N 2.75Å; K14-K16 PolarHBondContact O-N 2.58Å
15	R	33.6	Very low	34.5	Very low	253 Å²	253	157.8 Å²	157.8	96%	0.955	83%	0.828	S	S	*	*			trans	-66.4	120.5	172.8	-80.6	179.9	173.7	170.3	-2.5	109.5
16	K	31.6	Very low	35.2	Very low	182 Å²	182	162 Å²	162	79%	0.791	84%	0.836	S	S	*	*			trans	-104.1	127.7	168.5	-157.7	-178.7	-180	-166.9	0	107.9	K14	K14-K16 PolarHBondContact O-N 2.58Å
17	R	38.1	Very low	35.5	Very low	241 Å²	241	159.7 Å²	159.7	91%	0.909	83%	0.83	S	S	*	*			trans	-90.5	116.4	177	-176.1	-177.2	-171.4	-175.4	2.2	106.7
18	D	33	Very low	36.2	Very low	141 Å²	141	161.2 Å²	161.2	75%	0.754	83%	0.832	S	S	*	*			trans	-112.9	123.1	163.9	-87.5	-32.4	0	0	0	108.1
19	G	38.3	Very low	36.5	Very low	76 Å²	76	164.3 Å²	164.3	78%	0.784	84%	0.836	S	S	*	*			trans	-91.7	141.8	167.8	0	0	0	0	0	109.3
20	S	33.2	Very low	37.2	Very low	118 Å²	118	164.5 Å²	164.5	83%	0.825	84%	0.837	S	S	*	*			trans	-148.6	123.5	160.6	-179.6	0	0	0	0	107.6
21	N	38.4	Very low	37.9	Very low	171 Å²	171	161.7 Å²	161.7	91%	0.914	83%	0.833	S	S	*	*			trans	-56.8	139.2	168.5	-78	-17.6	0	0	0	110.1
22	G	33.4	Very low	38.8	Very low	70 Å²	70	163.9 Å²	163.9	72%	0.722	84%	0.838	S	S	*	*			trans	-163.4	97.3	173.2	0	0	0	0	0	109
23	E	35.4	Very low	39.6	Very low	195 Å²	195	165.8 Å²	165.8	91%	0.911	84%	0.838	S	S	*	*			trans	33.1	126.2	148.4	-62.1	175.7	162	0	0	120	E25	E23-E25 PolarHBondContact O-N 3.4Å
24	T	38.5	Very low	40.1	Very low	139 Å²	139	160.4 Å²	160.4	85%	0.853	83%	0.833	S	S	*	*			trans	-80	101.1	-178.6	-37.8	0	0	0	0	109.8
25	E	39.6	Very low	40.9	Very low	188 Å²	188	161.9 Å²	161.9	88%	0.879	83%	0.833	S	S	*	*			trans	-87.5	118.9	155	-76.7	-167.6	158	0	0	108.3	E23 G27	E23-E25 PolarHBondContact O-N 3.4Å; E25-G27 PolarHBondContact O-N 3.5Å
26	E	46.8	Very low	41.6	Very low	195 Å²	195	155 Å²	155	91%	0.911	82%	0.822	S	S	*	*			trans	-66.6	79.9	172.1	-71.4	-165.5	141	0	0	110.1
27	G	39	Very low	42.4	Very low	63 Å²	63	151.7 Å²	151.7	65%	0.649	82%	0.817	S	S	*	*			trans	-77.3	122.1	163	0	0	0	0	0	109.7	E25 R29	E25-G27 PolarHBondContact O-N 3.5Å; G27-R29 PolarHBondContact O-N 3.34Å; G27-R29 VanDerWaalsContact O-N 3.08Å
28	E	46.1	Very low	43.7	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	81%	0.814	S	S	*	*			trans	-35.8	112.2	177.1	-67.8	176.5	139.6	0	0	112.1	L30	E28-L30 PolarHBondContact O-N 2.93Å
29	R	44.7	Very low	46.2	Very low	241 Å²	241	142.6 Å²	142.6	91%	0.909	80%	0.803	S	S	*	*			trans	-64.6	102.4	168.4	-72.1	-177.6	-175.2	-175.2	3.1	107.2	G27 G31	G27-R29 PolarHBondContact O-N 3.34Å; G27-R29 VanDerWaalsContact O-N 3.08Å; R29-G31 PolarHBondContact O-N 3.03Å
30	L	46.3	Very low	48.6	Very low	171 Å²	171	145.9 Å²	145.9	90%	0.895	80%	0.802	S	S	*	*			trans	-44.8	107.3	162.6	-86	158.5	0	0	0	107.8	E28 K32	E28-L30 PolarHBondContact O-N 2.93Å; L30-K32 PolarHBondContact O-N 3.33Å
31	G	46.8	Very low	51.5	Low	63 Å²	63	149.3 Å²	149.3	65%	0.649	80%	0.802	S	S	*	*			trans	-50.2	131.5	-177.4	0	0	0	0	0	109.1	R29 I33	R29-G31 PolarHBondContact O-N 3.03Å; G31-I33 PolarHBondContact O-N 2.86Å
32	K	50.8	Low	54.2	Low	205 Å²	205	147.6 Å²	147.6	89%	0.891	79%	0.793	S	S	*	*			trans	-55.4	105.2	172.3	-71.2	177.9	179.7	176.4	0	106.7	L30 P34	L30-K32 PolarHBondContact O-N 3.33Å; K32-P34 WeakPolarHBondContact O-CD 3.21Å
33	I	50.1	Low	57.3	Low	149 Å²	149	146.8 Å²	146.8	76%	0.764	78%	0.775	S	S	*	*			trans	-53.7	116.4	175.5	-60	172.5	0	0	0	105.8	G31 R35	G31-I33 PolarHBondContact O-N 2.86Å; I33-R35 PolarHBondContact O-N 3.21Å
34	P	46.2	Very low	60.3	Low	115 Å²	115	138 Å²	138	75%	0.747	74%	0.735	S	S	*	*			trans	-58.8	113.7	174.6	-18.1	29.8	0	0	0	106.6	K32 C36	K32-P34 WeakPolarHBondContact O-CD 3.21Å; P34-C36 PolarHBondContact O-N 3.44Å
35	R	49.6	Very low	63.1	Low	231 Å²	231	133.4 Å²	133.4	87%	0.872	71%	0.708	S	S	*	*			trans	-68.5	87.7	170.6	-83.5	-178.1	129.6	128.9	-2.2	107.1	I33 T37	I33-R35 PolarHBondContact O-N 3.21Å; R35-T37 PolarHBondContact O-N 3.23Å
36	C	46.8	Very low	65.9	Low	109 Å²	109	125.4 Å²	125.4	74%	0.736	67%	0.67	S	S	*	*			trans	-70	87.8	165.9	-171.4	0	0	0	0	107.6	P34 V38	P34-C36 PolarHBondContact O-N 3.44Å; C36-V38 PolarHBondContact O-N 3.34Å; C36-V38 VanDerWaalsContact O-N 3.16Å
37	T	49.1	Very low	68.2	Low	112 Å²	112	117.2 Å²	117.2	69%	0.687	64%	0.637	S	S	*	*			trans	-80.2	89.6	169.3	52.5	0	0	0	0	108.1	R35 G39	R35-T37 PolarHBondContact O-N 3.23Å; T37-G39 PolarHBondContact O-N 3.06Å
38	V	65.8	Low	70.7	Confident	140 Å²	140	119.6 Å²	119.6	85%	0.848	63%	0.634	S	S	*	*			trans	-72.7	82.5	161.7	-169.7	0	0	0	0	106.7	C36	C36-V38 PolarHBondContact O-N 3.34Å; C36-V38 VanDerWaalsContact O-N 3.16Å
39	G	84.4	Confident	72.8	Confident	50 Å²	50	115.5 Å²	115.5	52%	0.515	62%	0.615	S	S	.	*	S	Bend	trans	-137.1	165.5	-178.5	0	0	0	0	0	111.5	T37 K41	T37-G39 PolarHBondContact O-N 3.06Å; G39-K41 PolarHBondContact O-N 2.72Å
40	L	90.4	Very high	74.9	Confident	146 Å²	146	107.3 Å²	107.3	76%	0.764	59%	0.589	S	S	*	*			trans	-62.1	129.6	172.6	-60.7	174.3	0	0	0	109.2
41	K	94.1	Very high	76.5	Confident	189 Å²	189	107.4 Å²	107.4	82%	0.822	59%	0.585	S	S	*	*			trans	-101.3	-24.3	179.2	-65.7	-176.5	-179.5	178.1	0	113.2	G39	G39-K41 PolarHBondContact O-N 2.72Å
42	N	95.3	Very high	77.7	Confident	135 Å²	135	109.9 Å²	109.9	72%	0.722	59%	0.589	S	S	*	*	S	Bend	trans	-112	151.3	-174.6	-60.4	-30.5	0	0	0	110.2
43	P	97.7	Very high	78.6	Confident	53 Å²	53	102.9 Å²	102.9	34%	0.344	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-62	160	170	-15.7	30.1	0	0	0	111.2	R136	P43-R136 HydrophobicContact CB-CB 3.92Å
44	A	97.6	Very high	79.5	Confident	10 Å²	10	100.3 Å²	100.3	8%	0.083	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-61.2	133.2	171.4	0	0	0	0	0	110.2	R136 V141 V144	A44-R136 PolarHBondContact N-O 3.46Å; A44-R136 WeakPolarHBondContact O-CG 3.11Å; A44-R136 PolarHBondContact O-NE 3.14Å; A44-R136 PolarHBondContact O-NH2 3.39Å; A44-V141 HydrophobicContact CB-CB 4.41Å; A44-V141 HydrophobicContact CB-CG1 3.93Å; A44-V144 HydrophobicContact CB-CG2 4.18Å
45	P	98	Very high	80.7	Confident	43 Å²	43	105.5 Å²	105.5	28%	0.279	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-65.4	154.7	176.5	27.6	-36.1	0	0	0	111.6	E49 L50 D142 V144	P45-E49 WeakPolarHBondContact CA-OE2 3.3Å; P45-L50 HydrophobicContact CB-CD2 4Å; P45-L50 HydrophobicContact CB-CG 4.39Å; P45-L50 HydrophobicContact CG-CD1 4.5Å; P45-L50 HydrophobicContact CG-CD2 3.8Å; P45-L50 HydrophobicContact CG-CG 4.35Å; P45-D142 VanDerWaalsContact CD-O 3.31Å; P45-D142 WeakPolarHBondContact CD-O 3.34Å; P45-V144 PolarHBondContact O-N 3.5Å
46	F	98.2	Very high	81.9	Confident	20 Å²	20	100.9 Å²	100.9	9%	0.088	56%	0.555	C	S	.	*	B	Isolated β-bridge	trans	-77.4	150.7	165.2	-65.4	-61.6	0	0	0	110.8	D48 E49 R136 V144 R146	F46-D48 WeakPolarHBondContact CB-OD1 3.38Å; F46-D48 PolarHBondContact O-N 3.2Å; F46-D48 VanDerWaalsContact O-N 3.16Å; F46-E49 HydrophobicContact CB-CG 4.08Å; F46-E49 WeakPolarHBondContact CD2-OE1 3.18Å; F46-E49 PolarHBondContact N-OE2 3.43Å; F46-E49 WeakPolarHBondContact O-CB 3.14Å; F46-E49 PolarHBondContact O-N 2.93Å; F46-R136 HydrophobicContact CE1-CG 4.06Å; F46-R136 VanDerWaalsContact CZ-CD 3.49Å; F46-R136 HydrophobicContact CZ-CG 4.27Å; F46-V144 CarbonylContact C-O 3.55Å; F46-V144 WeakPolarHBondContact CA-O 3.37Å; F46-V144 HydrophobicContact CD1-CB 3.86Å; F46-V144 HydrophobicContact CD1-CG1 3.99Å; F46-V144 HydrophobicContact CE1-CB 4.24Å; F46-V144 HydrophobicContact CE1-CG1 4.01Å; F46-R146 HydrophobicContact CD1-CG 3.67Å; F46-R146 HydrophobicContact CE1-CG 3.63Å; F46-R146 HydrophobicContact CG-CG 4.49Å; F46-R146 HydrophobicContact CZ-CG 4.38Å
47	A	95	Very high	83.4	Confident	24 Å²	24	101.6 Å²	101.6	20%	0.198	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-60.7	-25.4	-177.8	0	0	0	0	0	114.2	E143 V144 V145	A47-E143 HydrophobicContact CB-CG 4Å; A47-E143 WeakPolarHBondContact CB-OE1 3.44Å; A47-V144 PolarHBondContact N-O 3.49Å; A47-V145 HydrophobicContact CB-CG2 3.75Å
48	D	91.4	Very high	85	Confident	112 Å²	112	99 Å²	99	60%	0.599	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.9	175.7	61.8	-53.6	0	0	0	113.9	F46 L50 R146	F46-D48 WeakPolarHBondContact CB-OD1 3.38Å; F46-D48 PolarHBondContact O-N 3.2Å; F46-D48 VanDerWaalsContact O-N 3.16Å; D48-L50 VanDerWaalsContact C-N 3.3Å; D48-R146 IonicContact OD1-CZ 3.9Å; D48-R146 IonicContact OD1-NE 3.3Å; D48-R146 IonicContact OD1-NH2 2.67Å; D48-R146 PolarHBondContact OD1-NH2 3.41Å; D48-R146 IonicContact OD2-CZ 2.93Å; D48-R146 IonicContact OD2-NH2 3.69Å; D48-R146 PolarHBondContact OD2-NH2 3.01Å
49	E	90.6	Very high	86.1	Confident	107 Å²	107	100.2 Å²	100.2	50%	0.5	53%	0.532	S	S	.	.	S	Bend	trans	-83.3	-10.7	171	-60.8	170.9	166.6	0	0	111.8	P45 F46 R136	P45-E49 WeakPolarHBondContact CA-OE2 3.3Å; F46-E49 HydrophobicContact CB-CG 4.08Å; F46-E49 WeakPolarHBondContact CD2-OE1 3.18Å; F46-E49 PolarHBondContact N-OE2 3.43Å; F46-E49 WeakPolarHBondContact O-CB 3.14Å; F46-E49 PolarHBondContact O-N 2.93Å; E49-R136 IonicContact OE1-NH2 3.75Å; E49-R136 IonicContact OE2-NH2 2.81Å; E49-R136 PolarHBondContact OE2-NH2 3.3Å
50	L	88.3	Confident	86.6	Confident	69 Å²	69	102.5 Å²	102.5	36%	0.361	53%	0.526	S	S	.	.	S	Bend	trans	-90.8	142.6	-178.9	-63.9	178.1	0	0	0	111.2	P45 D48 E143	P45-L50 HydrophobicContact CB-CD2 4Å; P45-L50 HydrophobicContact CB-CG 4.39Å; P45-L50 HydrophobicContact CG-CD1 4.5Å; P45-L50 HydrophobicContact CG-CD2 3.8Å; P45-L50 HydrophobicContact CG-CG 4.35Å; D48-L50 VanDerWaalsContact C-N 3.3Å; L50-E143 HydrophobicContact CD1-CB 4.31Å; L50-E143 HydrophobicContact CD1-CG 3.71Å
51	E	79.9	Confident	86.9	Confident	174 Å²	174	96.4 Å²	96.4	81%	0.813	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-57.3	134.9	174.7	-70.7	-59.4	132.4	0	0	110.8	A53	E51-A53 PolarHBondContact O-N 2.67Å
52	P	72.1	Confident	87	Confident	114 Å²	114	90.6 Å²	90.6	74%	0.74	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-55.6	134	178.2	-23	31.5	0	0	0	111
53	A	69.1	Low	87	Confident	59 Å²	59	86.7 Å²	86.7	49%	0.488	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-61.3	142.5	179.5	0	0	0	0	0	111.6	E51 R161	E51-A53 PolarHBondContact O-N 2.67Å; A53-R161 VanDerWaalsContact CB-CZ 3.47Å
54	D	70.1	Confident	86.9	Confident	95 Å²	95	90.1 Å²	90.1	51%	0.508	46%	0.464	S	S	.	.			trans	-37.9	147.4	177.2	-77.5	-14.8	0	0	0	113.2	K56 R161	D54-K56 HydrophobicContact CB-CB 4.37Å; D54-K56 HydrophobicContact CB-CD 4.21Å; D54-K56 HydrophobicContact CB-CG 4.12Å; D54-K56 PolarHBondContact O-N 3.16Å; D54-K56 IonicContact OD2-NZ 3.39Å; D54-K56 PolarHBondContact OD2-NZ 2.97Å; D54-R161 PolarHBondContact O-NH2 2.74Å
55	K	70.5	Confident	86.8	Confident	223 Å²	223	94.5 Å²	94.5	97%	0.97	48%	0.483	S	S	*	.	S	Bend	trans	-63.2	6.5	175.1	-65.3	-178.3	-179	176.6	0	115.7
56	K	75.9	Confident	86.7	Confident	134 Å²	134	92.5 Å²	92.5	58%	0.583	47%	0.47	S	S	*	.	S	Bend	trans	-61.8	139.3	176.9	-68.4	172.6	-173.8	151	0	110.4	D54 Y58 R161	D54-K56 HydrophobicContact CB-CB 4.37Å; D54-K56 HydrophobicContact CB-CD 4.21Å; D54-K56 HydrophobicContact CB-CG 4.12Å; D54-K56 PolarHBondContact O-N 3.16Å; D54-K56 IonicContact OD2-NZ 3.39Å; D54-K56 PolarHBondContact OD2-NZ 2.97Å; K56-Y58 PolarHBondContact O-N 2.86Å; K56-R161 PolarHBondContact O-NH2 3.21Å
57	P	78.8	Confident	86.6	Confident	124 Å²	124	98 Å²	98	81%	0.805	49%	0.494	S	S	*	.			trans	-58.7	135	174.7	23.3	-31.1	0	0	0	109.9	Q59	P57-Q59 PolarHBondContact O-N 3.28Å
58	Y	81.9	Confident	86.7	Confident	57 Å²	57	105.6 Å²	105.6	22%	0.224	52%	0.522	C	S	.	.			trans	-76.4	115.6	179.3	175.7	-123.8	0	0	0	110	K56 R60 R161 I162 D163	K56-Y58 PolarHBondContact O-N 2.86Å; Y58-R60 HydrophobicContact CE1-CG 3.66Å; Y58-R60 WeakPolarHBondContact OH-CG 3.48Å; Y58-R161 HydrophobicContact CD2-CB 3.5Å; Y58-R161 VanDerWaalsContact CD2-CB 3.5Å; Y58-R161 HydrophobicContact CD2-CG 3.57Å; Y58-R161 VanDerWaalsContact CE2-C 3.47Å; Y58-R161 VanDerWaalsContact CE2-CA 3.45Å; Y58-R161 HydrophobicContact CE2-CB 3.45Å; Y58-R161 VanDerWaalsContact CE2-CB 3.45Å; Y58-R161 HydrophobicContact CE2-CG 4.08Å; Y58-R161 WeakPolarHBondContact CE2-O 3.38Å; Y58-R161 HydrophobicContact CG-CB 4.17Å; Y58-R161 HydrophobicContact CG-CG 3.98Å; Y58-R161 VanDerWaalsContact CZ-CA 3.48Å; Y58-R161 PolarHBondContact OH-O 2.96Å; Y58-I162 PolarHBondContact OH-N 3.22Å; Y58-I162 PolarHBondContact OH-O 3.48Å; Y58-D163 VanDerWaalsContact OH-CA 3.24Å; Y58-D163 WeakPolarHBondContact OH-CA 3.26Å; Y58-D163 PolarHBondContact OH-N 2.75Å; Y58-D163 PolarHBondContact OH-OD1 3.16Å
59	Q	89.6	Confident	86.7	Confident	166 Å²	166	101.8 Å²	101.8	78%	0.776	51%	0.509	S	S	*	.			trans	-114.8	125.2	173	-167.7	162.9	20.9	0	0	109.8	P57 R74	P57-Q59 PolarHBondContact O-N 3.28Å; Q59-R74 PolarHBondContact O-NH2 3Å; Q59-R74 VanDerWaalsContact O-NH2 3.13Å
60	R	94.8	Very high	86.9	Confident	99 Å²	99	97.7 Å²	97.7	37%	0.374	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-72.6	148.7	177.5	-57.8	-157.2	-73.9	112.1	-6.5	110.5	Y58 D163 A187	Y58-R60 HydrophobicContact CE1-CG 3.66Å; Y58-R60 WeakPolarHBondContact OH-CG 3.48Å; R60-D163 WeakPolarHBondContact CA-OD1 3.34Å; R60-A187 PolarHBondContact NH2-O 3.28Å
61	V	95.5	Very high	87.2	Confident	18 Å²	18	98.6 Å²	98.6	11%	0.109	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-86.4	142.1	170.6	-170.8	0	0	0	0	109	E65 A66 T70 D163	V61-E65 HydrophobicContact CG1-CB 3.46Å; V61-E65 VanDerWaalsContact CG1-CB 3.46Å; V61-A66 HydrophobicContact CG1-CB 4.18Å; V61-T70 HydrophobicContact CG1-CG2 3.96Å; V61-T70 HydrophobicContact CG2-CG2 4.32Å; V61-D163 PolarHBondContact N-OD1 2.95Å
62	T	96.5	Very high	87.6	Confident	66 Å²	66	98.1 Å²	98.1	41%	0.405	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-73.1	161.8	173.9	61.8	0	0	0	0	111.6	E64 E65 A66	T62-E64 VanDerWaalsContact C-N 3.27Å; T62-E64 PolarHBondContact O-N 3.19Å; T62-E65 PolarHBondContact N-OE2 2.93Å; T62-E65 PolarHBondContact O-N 3.06Å; T62-E65 WeakPolarHBondContact OG1-CB 3.19Å; T62-E65 WeakPolarHBondContact OG1-CG 3.46Å; T62-E65 PolarHBondContact OG1-N 2.85Å; T62-E65 PolarHBondContact OG1-OE2 3.43Å; T62-A66 VanDerWaalsContact O-CB 3.25Å; T62-A66 WeakPolarHBondContact O-CB 3.42Å; T62-A66 PolarHBondContact O-N 2.98Å
63	M	95.7	Very high	88.5	Confident	53 Å²	53	98.1 Å²	98.1	26%	0.261	51%	0.507	S	S	.	.	H	α-helix	trans	-62.7	-36.7	179.7	-177.7	69.3	83.2	0	0	111.4	K67 F102 F164	M63-K67 HydrophobicContact CG-CD 4.26Å; M63-K67 WeakPolarHBondContact O-CB 3.4Å; M63-K67 VanDerWaalsContact O-CG 3.27Å; M63-K67 WeakPolarHBondContact O-CG 3.46Å; M63-K67 PolarHBondContact O-N 3.41Å; M63-F102 HydrophobicContact SD-CE1 3.71Å; M63-F102 HydrophobicContact SD-CZ 3.9Å; M63-F164 HydrophobicContact CB-CE1 4.29Å; M63-F164 HydrophobicContact CB-CZ 4.22Å; M63-F164 HydrophobicContact CE-CD1 4.18Å; M63-F164 HydrophobicContact CE-CE1 3.86Å; M63-F164 HydrophobicContact SD-CE1 4.15Å; M63-F164 HydrophobicContact SD-CZ 4.34Å
64	E	95.8	Very high	89.6	Confident	125 Å²	125	98.7 Å²	98.7	58%	0.584	50%	0.496	S	S	*	.	H	α-helix	trans	-66.6	-46.3	179.1	-65.1	71.8	-158.8	0	0	111.7	T62 K67 K68	T62-E64 VanDerWaalsContact C-N 3.27Å; T62-E64 PolarHBondContact O-N 3.19Å; E64-K67 PolarHBondContact O-N 3.06Å; E64-K68 WeakPolarHBondContact O-CG 3.44Å; E64-K68 PolarHBondContact O-N 2.95Å; E64-K68 VanDerWaalsContact O-N 3.11Å
65	E	95.6	Very high	90.8	Very high	103 Å²	103	95.7 Å²	95.7	48%	0.481	48%	0.482	S	S	.	.	H	α-helix	trans	-65.7	-43.7	176.4	-72.2	163.1	159.4	0	0	111.4	V61 T62 K67 K68 G69	V61-E65 HydrophobicContact CG1-CB 3.46Å; V61-E65 VanDerWaalsContact CG1-CB 3.46Å; T62-E65 PolarHBondContact N-OE2 2.93Å; T62-E65 PolarHBondContact O-N 3.06Å; T62-E65 WeakPolarHBondContact OG1-CB 3.19Å; T62-E65 WeakPolarHBondContact OG1-CG 3.46Å; T62-E65 PolarHBondContact OG1-N 2.85Å; T62-E65 PolarHBondContact OG1-OE2 3.43Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 3.49Å; E65-K68 PolarHBondContact O-N 3.35Å; E65-G69 PolarHBondContact O-N 3.02Å; E65-G69 VanDerWaalsContact O-N 3.14Å
66	A	96.3	Very high	92.1	Very high	0 Å²	0	85.1 Å²	85.1	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-60.4	-41.2	178.2	0	0	0	0	0	111.7	V61 T62 G69 V76 F102 F164	V61-A66 HydrophobicContact CG1-CB 4.18Å; T62-A66 VanDerWaalsContact O-CB 3.25Å; T62-A66 WeakPolarHBondContact O-CB 3.42Å; T62-A66 PolarHBondContact O-N 2.98Å; A66-G69 PolarHBondContact O-N 2.7Å; A66-V76 HydrophobicContact CB-CG1 4.2Å; A66-V76 HydrophobicContact CB-CG2 3.77Å; A66-F102 VanDerWaalsContact C-CD1 3.5Å; A66-F102 HydrophobicContact CB-CD1 3.43Å; A66-F102 VanDerWaalsContact CB-CD1 3.43Å; A66-F102 HydrophobicContact CB-CD2 4.45Å; A66-F102 HydrophobicContact CB-CE1 3.43Å; A66-F102 VanDerWaalsContact CB-CE1 3.43Å; A66-F102 HydrophobicContact CB-CE2 4.45Å; A66-F102 HydrophobicContact CB-CG 3.95Å; A66-F102 HydrophobicContact CB-CZ 3.97Å; A66-F164 HydrophobicContact CB-CE2 3.8Å; A66-F164 HydrophobicContact CB-CZ 4.31Å
67	K	95.6	Very high	93.2	Very high	136 Å²	136	80.9 Å²	80.9	59%	0.591	42%	0.416	S	S	*	.	H	α-helix	trans	-68.2	-35.8	176.1	-77	175.4	179.6	176.1	0	113.6	M63 E64 E65 G69 F102	M63-K67 HydrophobicContact CG-CD 4.26Å; M63-K67 WeakPolarHBondContact O-CB 3.4Å; M63-K67 VanDerWaalsContact O-CG 3.27Å; M63-K67 WeakPolarHBondContact O-CG 3.46Å; M63-K67 PolarHBondContact O-N 3.41Å; E64-K67 PolarHBondContact O-N 3.06Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 3.49Å; K67-G69 PolarHBondContact O-N 3.39Å; K67-F102 HydrophobicContact CG-CD1 4.3Å; K67-F102 HydrophobicContact CG-CE1 4.27Å
68	K	95.9	Very high	94.1	Very high	183 Å²	183	75 Å²	75	80%	0.796	38%	0.378	S	S	*	.	H	α-helix	trans	-65.6	-26	174.1	-74.7	174.7	-177.3	177.6	0	112.1	E64 E65	E64-K68 WeakPolarHBondContact O-CG 3.44Å; E64-K68 PolarHBondContact O-N 2.95Å; E64-K68 VanDerWaalsContact O-N 3.11Å; E65-K68 PolarHBondContact O-N 3.35Å
69	G	92.9	Very high	94.9	Very high	32 Å²	32	72.2 Å²	72.2	33%	0.33	37%	0.367	S	S	.	.			trans	102.3	129.5	-178.8	0	0	0	0	0	110.9	E65 A66 K67	E65-G69 PolarHBondContact O-N 3.02Å; E65-G69 VanDerWaalsContact O-N 3.14Å; A66-G69 PolarHBondContact O-N 2.7Å; K67-G69 PolarHBondContact O-N 3.39Å
70	T	95.2	Very high	95.4	Very high	21 Å²	21	64.6 Å²	64.6	13%	0.129	33%	0.333	C	S	.	.			trans	-92.3	156.2	177.5	57.4	0	0	0	0	111.5	V61 R74 V76 N104	V61-T70 HydrophobicContact CG1-CG2 3.96Å; V61-T70 HydrophobicContact CG2-CG2 4.32Å; T70-R74 WeakPolarHBondContact CB-O 3.42Å; T70-R74 PolarHBondContact OG1-O 3.32Å; T70-V76 HydrophobicContact CG2-CG2 3.56Å; T70-N104 PolarHBondContact O-ND2 3.05Å; T70-N104 VanDerWaalsContact O-ND2 3.12Å; T70-N104 PolarHBondContact OG1-ND2 3.29Å
71	P	93.6	Very high	95.5	Very high	88 Å²	88	60.5 Å²	60.5	57%	0.571	32%	0.318	S	S	*	.			trans	-53.5	149.6	175.9	-24.9	34	0	0	0	112.5	S73 R74 N104	P71-S73 PolarHBondContact O-N 3.15Å; P71-S73 VanDerWaalsContact O-N 3.09Å; P71-R74 CarbonylContact O-C 3.59Å; P71-R74 VanDerWaalsContact O-C 3.3Å; P71-R74 PolarHBondContact O-N 3.13Å; P71-N104 PolarHBondContact O-ND2 2.92Å
72	L	89.5	Confident	95.7	Very high	164 Å²	164	60.4 Å²	60.4	86%	0.859	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.3	-178.6	-70	174.2	0	0	0	113.2	R74	L72-R74 VanDerWaalsContact C-N 3.27Å; L72-R74 PolarHBondContact O-N 2.81Å
73	S	89.9	Confident	95.7	Very high	114 Å²	114	57.9 Å²	57.9	80%	0.797	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.8	177.2	55.1	0	0	0	0	114.6	P71	P71-S73 PolarHBondContact O-N 3.15Å; P71-S73 VanDerWaalsContact O-N 3.09Å
74	R	92.1	Very high	95.9	Very high	72 Å²	72	56 Å²	56	27%	0.272	30%	0.295	S	S	.	.	S	Bend	trans	-134.2	71.2	-178.8	-178.9	52	177.7	96	0.2	110	Q59 T70 P71 L72 D163	Q59-R74 PolarHBondContact O-NH2 3Å; Q59-R74 VanDerWaalsContact O-NH2 3.13Å; T70-R74 WeakPolarHBondContact CB-O 3.42Å; T70-R74 PolarHBondContact OG1-O 3.32Å; P71-R74 CarbonylContact O-C 3.59Å; P71-R74 VanDerWaalsContact O-C 3.3Å; P71-R74 PolarHBondContact O-N 3.13Å; L72-R74 VanDerWaalsContact C-N 3.27Å; L72-R74 PolarHBondContact O-N 2.81Å; R74-D163 IonicContact CZ-OD1 2.78Å; R74-D163 IonicContact CZ-OD2 3.72Å; R74-D163 IonicContact NH1-OD1 3.81Å; R74-D163 IonicContact NH1-OD2 3.81Å; R74-D163 PolarHBondContact NH1-OD2 2.75Å; R74-D163 IonicContact NH2-OD1 3.7Å; R74-D163 PolarHBondContact NH2-OD1 2.99Å; R74-D163 IonicContact NH2-OD2 2.75Å; R74-D163 PolarHBondContact NH2-OD2 2.81Å
75	P	95.6	Very high	96	Very high	32 Å²	32	50.4 Å²	50.4	21%	0.208	27%	0.269	C	S	.	.			trans	-60.5	149.2	172.6	28.2	-35.4	0	0	0	110.7	R77 N104 H106	P75-R77 PolarHBondContact O-N 2.98Å; P75-N104 WeakPolarHBondContact CB-OD1 3.44Å; P75-H106 HydrophobicContact CB-CB 3.82Å; P75-H106 HydrophobicContact CG-CB 3.85Å
76	V	97.8	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121.4	170.4	-175.6	0	0	0	0	108.1	A66 T70 V78 F102 N104 S105 H106 D163 F164	A66-V76 HydrophobicContact CB-CG1 4.2Å; A66-V76 HydrophobicContact CB-CG2 3.77Å; T70-V76 HydrophobicContact CG2-CG2 3.56Å; V76-V78 HydrophobicContact CG1-CG2 4.41Å; V76-V78 PolarHBondContact O-N 3.49Å; V76-F102 HydrophobicContact CB-CB 4.37Å; V76-F102 HydrophobicContact CB-CD2 3.88Å; V76-F102 HydrophobicContact CB-CG 4.28Å; V76-F102 HydrophobicContact CG1-CD2 3.49Å; V76-F102 VanDerWaalsContact CG1-CD2 3.49Å; V76-F102 HydrophobicContact CG1-CE2 3.67Å; V76-F102 HydrophobicContact CG1-CG 4.19Å; V76-F102 HydrophobicContact CG1-CZ 4.49Å; V76-F102 HydrophobicContact CG2-CB 4.2Å; V76-F102 HydrophobicContact CG2-CD2 4.33Å; V76-F102 HydrophobicContact CG2-CG 4.26Å; V76-N104 PolarHBondContact N-O 3.5Å; V76-S105 CarbonylContact O-C 3.47Å; V76-S105 WeakPolarHBondContact O-CA 3.33Å; V76-H106 PolarHBondContact O-N 3.15Å; V76-D163 HydrophobicContact CG1-CB 3.93Å; V76-F164 HydrophobicContact CG1-CD2 3.65Å; V76-F164 HydrophobicContact CG1-CE2 3.87Å
77	R	97.9	Very high	96.2	Very high	45 Å²	45	50.2 Å²	50.2	17%	0.17	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.1	-176	-67.5	-177.1	67.8	77.8	-1.9	109.2	P75 H106 I108 E143 H160 R161 D163 F164	P75-R77 PolarHBondContact O-N 2.98Å; R77-H106 WeakPolarHBondContact CA-O 3.18Å; R77-H106 HydrophobicContact CG-CB 4.46Å; R77-H106 PolarHBondContact NH1-CD2 3.5Å; R77-H106 PolarHBondContact NH1-NE2 3.43Å; R77-H106 VanDerWaalsContact NH1-NE2 3.19Å; R77-I108 HydrophobicContact CB-CD1 4.34Å; R77-E143 IonicContact CZ-OE2 3.8Å; R77-E143 IonicContact NH1-OE2 3.84Å; R77-E143 IonicContact NH2-OE1 3.8Å; R77-E143 IonicContact NH2-OE2 3.72Å; R77-E143 PolarHBondContact NH2-OE2 3.46Å; R77-H160 PolarHBondContact NE-O 3.09Å; R77-H160 PolarHBondContact NH2-O 3.5Å; R77-R161 WeakPolarHBondContact CB-O 3.36Å; R77-R161 VanDerWaalsContact CD-O 3.3Å; R77-R161 WeakPolarHBondContact CD-O 3.31Å; R77-D163 PolarHBondContact N-OD2 3.14Å; R77-D163 WeakPolarHBondContact O-CB 3.24Å; R77-D163 PolarHBondContact O-N 2.74Å; R77-F164 PolarHBondContact O-N 3.01Å
78	V	98.7	Very high	96.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.2	179.5	-178.7	0	0	0	0	108.4	V76 A98 L101 F102 H106 L107 I108 F164 A166	V76-V78 HydrophobicContact CG1-CG2 4.41Å; V76-V78 PolarHBondContact O-N 3.49Å; V78-A98 HydrophobicContact CG1-CB 4.24Å; V78-L101 HydrophobicContact CG1-CD1 3.94Å; V78-L101 HydrophobicContact CG2-CD1 4.4Å; V78-F102 HydrophobicContact CG2-CD2 3.93Å; V78-F102 HydrophobicContact CG2-CE2 3.87Å; V78-H106 PolarHBondContact N-O 3.29Å; V78-L107 HydrophobicContact CB-CD1 4.32Å; V78-L107 HydrophobicContact CG1-CD1 4.2Å; V78-L107 WeakPolarHBondContact O-CA 3.5Å; V78-I108 PolarHBondContact O-N 2.91Å; V78-F164 CarbonylContact C-O 3.49Å; V78-F164 WeakPolarHBondContact CA-O 3.38Å; V78-A166 HydrophobicContact CG1-CB 3.74Å
79	Y	98.9	Very high	96.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.2	174.4	178.5	-97.8	0	0	0	110.7	D81 I108 G110 A148 L152 F156 I162 F164 V165 A166	Y79-D81 HydrophobicContact CD1-CB 4.48Å; Y79-D81 HydrophobicContact CE1-CB 3.52Å; Y79-I108 CarbonylContact C-O 3.3Å; Y79-I108 WeakPolarHBondContact CA-O 3.41Å; Y79-I108 HydrophobicContact CD2-CB 4.15Å; Y79-I108 HydrophobicContact CD2-CG2 3.9Å; Y79-I108 HydrophobicContact CE2-CG2 4.43Å; Y79-G110 WeakPolarHBondContact OH-CA 3.46Å; Y79-A148 WeakPolarHBondContact OH-CB 3.39Å; Y79-L152 HydrophobicContact CD1-CD1 4.23Å; Y79-L152 HydrophobicContact CD1-CD2 4.21Å; Y79-L152 HydrophobicContact CE1-CD1 4.18Å; Y79-L152 HydrophobicContact CE1-CD2 3.56Å; Y79-L152 HydrophobicContact CE1-CG 4.45Å; Y79-F156 HydrophobicContact CD2-CE1 4.25Å; Y79-F156 HydrophobicContact CE1-CE1 4.26Å; Y79-F156 AromaticContact CE2-CE1 3.7Å; Y79-F156 HydrophobicContact CE2-CE1 3.7Å; Y79-F156 AromaticContact CE2-CZ 3.76Å; Y79-F156 HydrophobicContact CE2-CZ 3.76Å; Y79-F156 AromaticContact CZ-CE1 3.69Å; Y79-F156 AromaticContact CZ-CZ 3.88Å; Y79-I162 HydrophobicContact CD1-CD1 4.32Å; Y79-I162 HydrophobicContact CD2-CD1 3.73Å; Y79-I162 HydrophobicContact CE2-CD1 4.46Å; Y79-I162 HydrophobicContact CG-CD1 3.63Å; Y79-I162 HydrophobicContact CG-CG1 4.4Å; Y79-F164 PolarHBondContact N-O 2.93Å; Y79-V165 HydrophobicContact CD1-CG1 4.38Å; Y79-V165 CarbonylContact O-C 3.51Å; Y79-V165 VanDerWaalsContact O-CA 3.27Å; Y79-V165 WeakPolarHBondContact O-CA 3.43Å; Y79-A166 PolarHBondContact O-N 3.29Å
80	A	98.8	Very high	96.7	Very high	6 Å²	6	37.4 Å²	37.4	5%	0.05	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.1	170.2	0	0	0	0	0	109.2	L95 A98 L107 I108 V109 G110 A166	A80-L95 HydrophobicContact CB-CD2 3.83Å; A80-A98 HydrophobicContact CB-CB 4.39Å; A80-L107 HydrophobicContact CB-CD1 4.14Å; A80-I108 PolarHBondContact N-O 3.19Å; A80-V109 CarbonylContact O-C 3.59Å; A80-V109 VanDerWaalsContact O-CA 3.23Å; A80-V109 WeakPolarHBondContact O-CA 3.31Å; A80-G110 PolarHBondContact O-N 3.33Å; A80-A166 WeakPolarHBondContact CA-O 3.31Å; A80-A166 HydrophobicContact CB-CB 4.46Å; A80-A166 WeakPolarHBondContact CB-O 3.23Å
81	D	98.7	Very high	96.8	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	160.7	179.7	51	-7.5	0	0	0	113.4	Y79 G110 Y181	Y79-D81 HydrophobicContact CD1-CB 4.48Å; Y79-D81 HydrophobicContact CE1-CB 3.52Å; D81-G110 VanDerWaalsContact CA-O 3.28Å; D81-G110 WeakPolarHBondContact CA-O 3.37Å; D81-Y181 PolarHBondContact OD1-OH 3.49Å; D81-Y181 PolarHBondContact OD2-OH 3.12Å
82	G	97.9	Very high	97.1	Very high	16 Å²	16	35 Å²	35	17%	0.165	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	177.2	175.2	0	0	0	0	0	113.6	F84 G110 V111 C112	G82-F84 VanDerWaalsContact N-CE2 3.34Å; G82-F84 WeakPolarHBondContact O-CD2 3.34Å; G82-G110 PolarHBondContact N-O 2.92Å; G82-G110 VanDerWaalsContact N-O 3.09Å; G82-V111 WeakPolarHBondContact O-CA 3.48Å; G82-C112 PolarHBondContact O-N 3.35Å
83	I	98.2	Very high	97.5	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.067	18%	0.18	C	C	.	.			trans	-82.3	-41.9	173.8	-46.6	-48.1	0	0	0	109.9	D85 C112 T117 K121 T124 R131 W150	I83-D85 HydrophobicContact CG2-CB 4.06Å; I83-D85 PolarHBondContact O-N 3.41Å; I83-C112 HydrophobicContact CD1-CB 3.85Å; I83-T117 HydrophobicContact CB-CG2 4.5Å; I83-T117 HydrophobicContact CD1-CG2 3.81Å; I83-T117 HydrophobicContact CG1-CG2 4.04Å; I83-T117 HydrophobicContact CG2-CG2 3.64Å; I83-K121 HydrophobicContact CD1-CD 4.34Å; I83-K121 HydrophobicContact CG1-CD 3.79Å; I83-T124 HydrophobicContact CG2-CG2 3.77Å; I83-R131 WeakPolarHBondContact O-CD 3.41Å; I83-R131 PolarHBondContact O-NH1 2.86Å; I83-W150 HydrophobicContact CD1-CH2 4.36Å; I83-W150 HydrophobicContact CD1-CZ3 3.98Å
84	F	98.4	Very high	97.9	Very high	13 Å²	13	29.2 Å²	29.2	6%	0.057	15%	0.152	C	C	.	.			trans	58	27.2	-177.9	-52.7	-69.2	0	0	0	115.1	G82 F87 H91 L95 V109 G110 V111 I135	G82-F84 VanDerWaalsContact N-CE2 3.34Å; G82-F84 WeakPolarHBondContact O-CD2 3.34Å; F84-F87 HydrophobicContact CB-CD2 4.29Å; F84-F87 HydrophobicContact CD1-CD2 4.41Å; F84-F87 HydrophobicContact CD1-CE2 4.46Å; F84-F87 PolarHBondContact O-N 2.97Å; F84-H91 HydrophobicContact CD1-CB 3.92Å; F84-H91 AromaticContact CD1-CD2 4Å; F84-H91 AromaticContact CD1-CG 3.83Å; F84-H91 HydrophobicContact CE1-CB 4.34Å; F84-L95 HydrophobicContact CE1-CD1 4.35Å; F84-L95 HydrophobicContact CE1-CD2 4.29Å; F84-L95 HydrophobicContact CE1-CG 4.48Å; F84-L95 HydrophobicContact CZ-CD2 4.23Å; F84-V109 HydrophobicContact CD2-CG1 4.33Å; F84-V109 HydrophobicContact CE2-CG1 3.43Å; F84-V109 VanDerWaalsContact CE2-CG1 3.43Å; F84-V109 HydrophobicContact CZ-CG1 3.58Å; F84-G110 WeakPolarHBondContact CE2-O 2.95Å; F84-V111 HydrophobicContact CD2-CB 4.43Å; F84-V111 HydrophobicContact CD2-CG1 4.26Å; F84-V111 HydrophobicContact CD2-CG2 3.84Å; F84-V111 HydrophobicContact CE2-CG2 4.17Å; F84-I135 HydrophobicContact CB-CD1 3.71Å; F84-I135 HydrophobicContact CB-CG1 3.85Å; F84-I135 HydrophobicContact CD1-CD1 3.55Å; F84-I135 HydrophobicContact CD1-CG1 4.48Å; F84-I135 HydrophobicContact CD2-CD1 3.73Å; F84-I135 HydrophobicContact CD2-CG1 3.87Å; F84-I135 HydrophobicContact CE1-CD1 4.04Å; F84-I135 HydrophobicContact CE2-CD1 4.19Å; F84-I135 HydrophobicContact CG-CD1 3.36Å; F84-I135 HydrophobicContact CG-CG1 3.82Å; F84-I135 HydrophobicContact CZ-CD1 4.34Å
85	D	98	Very high	98.3	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.043	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	138.9	174.1	-172.5	27.1	0	0	0	111.7	I83 T124 V125 M126 T201	I83-D85 HydrophobicContact CG2-CB 4.06Å; I83-D85 PolarHBondContact O-N 3.41Å; D85-T124 HydrophobicContact CB-CG2 4.36Å; D85-T124 WeakPolarHBondContact OD2-CA 3.27Å; D85-V125 PolarHBondContact OD1-N 3.09Å; D85-V125 PolarHBondContact OD2-N 3.19Å; D85-M126 WeakPolarHBondContact OD1-CB 3.23Å; D85-M126 WeakPolarHBondContact OD1-CG 3.46Å; D85-M126 PolarHBondContact OD1-N 3Å; D85-T201 HydrophobicContact CB-CG2 4.13Å; D85-T201 WeakPolarHBondContact O-CG2 3.34Å; D85-T201 PolarHBondContact O-OG1 3.41Å
86	V	97.5	Very high	98.4	Very high	33 Å²	33	26.3 Å²	26.3	20%	0.2	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	63	-170.1	-169	0	0	0	0	110.4	H88 V125 M126 T201 I204	V86-H88 WeakPolarHBondContact O-CB 3.13Å; V86-H88 PolarHBondContact O-CD2 3.18Å; V86-H88 PolarHBondContact O-N 2.76Å; V86-V125 HydrophobicContact CG2-CB 3.95Å; V86-V125 HydrophobicContact CG2-CG1 4.36Å; V86-V125 HydrophobicContact CG2-CG2 4.24Å; V86-M126 HydrophobicContact CG2-CG 4.45Å; V86-T201 HydrophobicContact CB-CG2 4.05Å; V86-T201 HydrophobicContact CG2-CG2 3.94Å; V86-I204 HydrophobicContact CG1-CB 4.5Å; V86-I204 HydrophobicContact CG1-CD1 4.11Å; V86-I204 HydrophobicContact CG1-CG2 3.95Å
87	F	98.4	Very high	98.4	Very high	65 Å²	65	29 Å²	29	29%	0.285	15%	0.153	S	C	.	.			trans	-51	125.2	-171.9	-176.4	-103.3	0	0	0	112.6	F84 H91 A92 L95 A134 I135 C138	F84-F87 HydrophobicContact CB-CD2 4.29Å; F84-F87 HydrophobicContact CD1-CD2 4.41Å; F84-F87 HydrophobicContact CD1-CE2 4.46Å; F84-F87 PolarHBondContact O-N 2.97Å; F87-H91 HydrophobicContact CD2-CB 3.68Å; F87-H91 AromaticContact CD2-ND1 3.9Å; F87-H91 HydrophobicContact CE2-CB 3.42Å; F87-H91 VanDerWaalsContact CE2-CB 3.42Å; F87-H91 HydrophobicContact CZ-CB 4.31Å; F87-A92 HydrophobicContact CE1-CB 4.31Å; F87-A92 HydrophobicContact CZ-CB 3.89Å; F87-L95 HydrophobicContact CE2-CD1 4.26Å; F87-A134 HydrophobicContact CB-CB 3.88Å; F87-A134 HydrophobicContact CG-CB 4.34Å; F87-I135 HydrophobicContact CD2-CD1 3.63Å; F87-I135 HydrophobicContact CE2-CD1 3.41Å; F87-I135 VanDerWaalsContact CE2-CD1 3.41Å; F87-I135 HydrophobicContact CZ-CD1 4.31Å; F87-C138 HydrophobicContact CE1-CB 4.38Å; F87-C138 HydrophobicContact CZ-CB 3.91Å
88	H	98.4	Very high	98.5	Very high	21 Å²	21	26.9 Å²	26.9	10%	0.097	15%	0.145	C	C	.	.			trans	-143.4	173.7	-168	59.2	55.2	0	0	0	112.2	V86 G90 H91 A92 I199 S200 T201 I204	V86-H88 WeakPolarHBondContact O-CB 3.13Å; V86-H88 PolarHBondContact O-CD2 3.18Å; V86-H88 PolarHBondContact O-N 2.76Å; H88-G90 PolarHBondContact ND1-N 3.5Å; H88-G90 PolarHBondContact O-N 3.26Å; H88-G90 VanDerWaalsContact O-N 3.12Å; H88-H91 AromaticContact CD2-CE1 3.7Å; H88-H91 AromaticContact CD2-ND1 3.89Å; H88-H91 AromaticContact CE1-CD2 3.79Å; H88-H91 AromaticContact CE1-CE1 3.41Å; H88-H91 PolarHBondContact CE1-CE1 3.12Å; H88-H91 VanDerWaalsContact CE1-CE1 3.41Å; H88-H91 AromaticContact CE1-CG 3.77Å; H88-H91 AromaticContact CE1-ND1 3.56Å; H88-H91 AromaticContact CE1-NE2 3.56Å; H88-H91 AromaticContact CG-ND1 3.93Å; H88-H91 AromaticContact ND1-CG 3.96Å; H88-H91 PolarHBondContact ND1-N 2.9Å; H88-H91 AromaticContact ND1-ND1 3.72Å; H88-H91 AromaticContact NE2-CE1 3.21Å; H88-H91 PolarHBondContact NE2-CE1 3.41Å; H88-H91 AromaticContact NE2-ND1 3.69Å; H88-H91 AromaticContact NE2-NE2 3.62Å; H88-H91 WeakPolarHBondContact O-CB 3.16Å; H88-H91 PolarHBondContact O-N 2.92Å; H88-A92 PolarHBondContact O-N 2.82Å; H88-I199 HydrophobicContact CB-CD1 3.81Å; H88-I199 HydrophobicContact CB-CG1 4.35Å; H88-S200 WeakPolarHBondContact NE2-CA 3.43Å; H88-T201 PolarHBondContact NE2-N 3.44Å; H88-T201 PolarHBondContact NE2-OG1 3.5Å; H88-I204 HydrophobicContact CB-CD1 3.75Å
89	S	98.4	Very high	98.5	Very high	53 Å²	53	29.5 Å²	29.5	37%	0.371	16%	0.156	S	C	.	.	H	α-helix	trans	-59.9	-29.5	-173.1	66.4	0	0	0	0	114.3	A92 R93 I199	S89-A92 PolarHBondContact O-N 2.67Å; S89-R93 WeakPolarHBondContact O-CB 3.46Å; S89-R93 VanDerWaalsContact O-CG 3.3Å; S89-R93 WeakPolarHBondContact O-CG 3.41Å; S89-R93 PolarHBondContact O-N 3.44Å; S89-I199 WeakPolarHBondContact OG-CD1 3.43Å
90	G	98.3	Very high	98.4	Very high	9 Å²	9	37.8 Å²	37.8	9%	0.093	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-46.7	171.7	0	0	0	0	0	113.5	H88 A94	H88-G90 PolarHBondContact ND1-N 3.5Å; H88-G90 PolarHBondContact O-N 3.26Å; H88-G90 VanDerWaalsContact O-N 3.12Å; G90-A94 PolarHBondContact O-N 2.66Å; G90-A94 VanDerWaalsContact O-N 3.12Å
91	H	98.7	Very high	98.3	Very high	38 Å²	38	40.2 Å²	40.2	18%	0.176	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-50.1	174.5	-60.2	140.3	0	0	0	110.8	F84 F87 H88 R93 A94 L95	F84-H91 HydrophobicContact CD1-CB 3.92Å; F84-H91 AromaticContact CD1-CD2 4Å; F84-H91 AromaticContact CD1-CG 3.83Å; F84-H91 HydrophobicContact CE1-CB 4.34Å; F87-H91 HydrophobicContact CD2-CB 3.68Å; F87-H91 AromaticContact CD2-ND1 3.9Å; F87-H91 HydrophobicContact CE2-CB 3.42Å; F87-H91 VanDerWaalsContact CE2-CB 3.42Å; F87-H91 HydrophobicContact CZ-CB 4.31Å; H88-H91 AromaticContact CD2-CE1 3.7Å; H88-H91 AromaticContact CD2-ND1 3.89Å; H88-H91 AromaticContact CE1-CD2 3.79Å; H88-H91 AromaticContact CE1-CE1 3.41Å; H88-H91 PolarHBondContact CE1-CE1 3.12Å; H88-H91 VanDerWaalsContact CE1-CE1 3.41Å; H88-H91 AromaticContact CE1-CG 3.77Å; H88-H91 AromaticContact CE1-ND1 3.56Å; H88-H91 AromaticContact CE1-NE2 3.56Å; H88-H91 AromaticContact CG-ND1 3.93Å; H88-H91 AromaticContact ND1-CG 3.96Å; H88-H91 PolarHBondContact ND1-N 2.9Å; H88-H91 AromaticContact ND1-ND1 3.72Å; H88-H91 AromaticContact NE2-CE1 3.21Å; H88-H91 PolarHBondContact NE2-CE1 3.41Å; H88-H91 AromaticContact NE2-ND1 3.69Å; H88-H91 AromaticContact NE2-NE2 3.62Å; H88-H91 WeakPolarHBondContact O-CB 3.16Å; H88-H91 PolarHBondContact O-N 2.92Å; H91-R93 VanDerWaalsContact C-N 3.28Å; H91-R93 PolarHBondContact O-N 3.43Å; H91-A94 WeakPolarHBondContact O-CB 3.08Å; H91-A94 PolarHBondContact O-N 2.98Å; H91-A94 VanDerWaalsContact O-N 3.09Å; H91-L95 WeakPolarHBondContact O-CG 3.31Å; H91-L95 PolarHBondContact O-N 2.87Å
92	A	98.7	Very high	98.2	Very high	21 Å²	21	40 Å²	40	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-58.7	-37.3	-178.8	0	0	0	0	0	113	F87 H88 S89 M96 Y140	F87-A92 HydrophobicContact CE1-CB 4.31Å; F87-A92 HydrophobicContact CZ-CB 3.89Å; H88-A92 PolarHBondContact O-N 2.82Å; S89-A92 PolarHBondContact O-N 2.67Å; A92-M96 WeakPolarHBondContact O-CB 3.45Å; A92-M96 PolarHBondContact O-N 3.35Å; A92-Y140 WeakPolarHBondContact O-CD2 3.37Å; A92-Y140 WeakPolarHBondContact O-CE2 3.27Å
93	R	98.7	Very high	98.2	Very high	128 Å²	128	44.1 Å²	44.1	48%	0.483	22%	0.221	S	C	.	.	H	α-helix	trans	-74.1	-32.1	176.7	-73.6	174	179.2	176.3	0.3	113	S89 H91 M96 Q97 T196	S89-R93 WeakPolarHBondContact O-CB 3.46Å; S89-R93 VanDerWaalsContact O-CG 3.3Å; S89-R93 WeakPolarHBondContact O-CG 3.41Å; S89-R93 PolarHBondContact O-N 3.44Å; H91-R93 VanDerWaalsContact C-N 3.28Å; H91-R93 PolarHBondContact O-N 3.43Å; R93-M96 HydrophobicContact CG-CE 4.42Å; R93-M96 WeakPolarHBondContact O-CB 3.42Å; R93-M96 PolarHBondContact O-N 2.85Å; R93-Q97 WeakPolarHBondContact O-CG 3.46Å; R93-Q97 PolarHBondContact O-N 3.4Å; R93-Q97 PolarHBondContact O-NE2 3.48Å; R93-Q97 VanDerWaalsContact O-NE2 3.17Å; R93-T196 WeakPolarHBondContact CD-OG1 3.49Å; R93-T196 VanDerWaalsContact NH1-CG2 3.28Å
94	A	98.6	Very high	98.1	Very high	27 Å²	27	45 Å²	45	22%	0.223	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-45.6	171.1	0	0	0	0	0	110.7	G90 H91 M96 Q97 A98	G90-A94 PolarHBondContact O-N 2.66Å; G90-A94 VanDerWaalsContact O-N 3.12Å; H91-A94 WeakPolarHBondContact O-CB 3.08Å; H91-A94 PolarHBondContact O-N 2.98Å; H91-A94 VanDerWaalsContact O-N 3.09Å; A94-M96 VanDerWaalsContact C-N 3.32Å; A94-M96 PolarHBondContact O-N 3.03Å; A94-Q97 WeakPolarHBondContact O-CB 3.47Å; A94-Q97 PolarHBondContact O-N 2.99Å; A94-Q97 VanDerWaalsContact O-N 3.1Å; A94-A98 PolarHBondContact O-N 3.15Å
95	L	98.8	Very high	98	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-36.3	174.5	-61.8	179.2	0	0	0	112.2	A80 F84 F87 H91 Q97 A98 K99 L107 V109 I135 C138 V141	A80-L95 HydrophobicContact CB-CD2 3.83Å; F84-L95 HydrophobicContact CE1-CD1 4.35Å; F84-L95 HydrophobicContact CE1-CD2 4.29Å; F84-L95 HydrophobicContact CE1-CG 4.48Å; F84-L95 HydrophobicContact CZ-CD2 4.23Å; F87-L95 HydrophobicContact CE2-CD1 4.26Å; H91-L95 WeakPolarHBondContact O-CG 3.31Å; H91-L95 PolarHBondContact O-N 2.87Å; L95-Q97 VanDerWaalsContact C-N 3.33Å; L95-Q97 PolarHBondContact O-N 2.81Å; L95-A98 PolarHBondContact O-N 3.37Å; L95-K99 WeakPolarHBondContact O-CB 3.46Å; L95-K99 PolarHBondContact O-N 3.48Å; L95-L107 HydrophobicContact CB-CD2 4.03Å; L95-L107 HydrophobicContact CD2-CD2 4.3Å; L95-L107 WeakPolarHBondContact O-CD2 3.36Å; L95-V109 HydrophobicContact CD1-CG2 4.29Å; L95-V109 HydrophobicContact CD2-CG1 4.22Å; L95-V109 HydrophobicContact CD2-CG2 3.66Å; L95-I135 HydrophobicContact CD1-CD1 4Å; L95-C138 HydrophobicContact CD1-CB 4.46Å; L95-V141 HydrophobicContact CD1-CG2 3.84Å
96	M	98.7	Very high	98	Very high	41 Å²	41	46.3 Å²	46.3	20%	0.202	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-42.3	171.6	-176.9	178.1	65.8	0	0	112.2	A92 R93 A94 R100 Y140	A92-M96 WeakPolarHBondContact O-CB 3.45Å; A92-M96 PolarHBondContact O-N 3.35Å; R93-M96 HydrophobicContact CG-CE 4.42Å; R93-M96 WeakPolarHBondContact O-CB 3.42Å; R93-M96 PolarHBondContact O-N 2.85Å; A94-M96 VanDerWaalsContact C-N 3.32Å; A94-M96 PolarHBondContact O-N 3.03Å; M96-R100 WeakPolarHBondContact O-CB 3.28Å; M96-R100 VanDerWaalsContact O-CG 3.25Å; M96-R100 WeakPolarHBondContact O-CG 3.42Å; M96-R100 PolarHBondContact O-N 3.35Å; M96-R100 VanDerWaalsContact O-N 3.14Å; M96-Y140 HydrophobicContact CB-CD1 4.04Å; M96-Y140 HydrophobicContact CB-CD2 3.72Å; M96-Y140 HydrophobicContact CB-CE1 3.89Å; M96-Y140 HydrophobicContact CB-CE2 3.58Å; M96-Y140 HydrophobicContact CB-CG 3.95Å; M96-Y140 HydrophobicContact CG-CD1 3.95Å; M96-Y140 HydrophobicContact CG-CD2 4.44Å; M96-Y140 HydrophobicContact CG-CE1 3.51Å; M96-Y140 HydrophobicContact CG-CE2 4.07Å; M96-Y140 HydrophobicContact CG-CG 4.39Å; M96-Y140 HydrophobicContact SD-CE1 3.96Å; M96-Y140 HydrophobicContact SD-CE2 4.4Å; M96-Y140 PolarHBondContact SD-OH 2.65Å
97	Q	98.7	Very high	98.1	Very high	57 Å²	57	44.8 Å²	44.8	27%	0.266	22%	0.224	S	C	.	.	H	α-helix	trans	-63.4	-48.4	176.3	-71.5	168.4	71.8	0	0	110.1	R93 A94 L95 K99 R100 L101 T193 Q194	R93-Q97 WeakPolarHBondContact O-CG 3.46Å; R93-Q97 PolarHBondContact O-N 3.4Å; R93-Q97 PolarHBondContact O-NE2 3.48Å; R93-Q97 VanDerWaalsContact O-NE2 3.17Å; A94-Q97 WeakPolarHBondContact O-CB 3.47Å; A94-Q97 PolarHBondContact O-N 2.99Å; A94-Q97 VanDerWaalsContact O-N 3.1Å; L95-Q97 VanDerWaalsContact C-N 3.33Å; L95-Q97 PolarHBondContact O-N 2.81Å; Q97-K99 PolarHBondContact O-N 2.94Å; Q97-R100 CarbonylContact O-C 3.53Å; Q97-R100 PolarHBondContact O-N 2.88Å; Q97-L101 PolarHBondContact O-N 3.05Å; Q97-L101 VanDerWaalsContact O-N 3.1Å; Q97-T193 HydrophobicContact CB-CG2 4.02Å; Q97-Q194 PolarHBondContact NE2-O 3.28Å
98	A	98.6	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-46.8	177.4	0	0	0	0	0	112.4	V78 A80 A94 L95 R100 L101 L107 A166	V78-A98 HydrophobicContact CG1-CB 4.24Å; A80-A98 HydrophobicContact CB-CB 4.39Å; A94-A98 PolarHBondContact O-N 3.15Å; L95-A98 PolarHBondContact O-N 3.37Å; A98-R100 PolarHBondContact O-N 3.5Å; A98-L101 WeakPolarHBondContact O-CG 3.32Å; A98-L101 PolarHBondContact O-N 3.18Å; A98-L107 HydrophobicContact CB-CD1 3.67Å; A98-L107 HydrophobicContact CB-CD2 4.37Å; A98-A166 HydrophobicContact CB-CB 3.66Å
99	K	98.2	Very high	98.1	Very high	55 Å²	55	40.7 Å²	40.7	24%	0.239	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-25.8	176.5	-178.8	59.2	173.6	-174.9	0	113.5	L95 Q97 S105 L107 Y140 D142	L95-K99 WeakPolarHBondContact O-CB 3.46Å; L95-K99 PolarHBondContact O-N 3.48Å; Q97-K99 PolarHBondContact O-N 2.94Å; K99-S105 PolarHBondContact NZ-O 3.08Å; K99-S105 VanDerWaalsContact O-CB 3.28Å; K99-S105 WeakPolarHBondContact O-CB 3.26Å; K99-S105 PolarHBondContact O-OG 3.41Å; K99-L107 HydrophobicContact CB-CB 4.41Å; K99-L107 HydrophobicContact CB-CD2 4.07Å; K99-L107 HydrophobicContact CD-CB 4.06Å; K99-Y140 WeakPolarHBondContact CD-O 3.27Å; K99-D142 IonicContact NZ-OD1 2.8Å; K99-D142 PolarHBondContact NZ-OD1 2.77Å; K99-D142 IonicContact NZ-OD2 3.8Å; K99-D142 PolarHBondContact NZ-OD2 2.86Å
100	R	98.1	Very high	98.1	Very high	174 Å²	174	38.1 Å²	38.1	66%	0.657	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	5.1	-177.1	-70.2	179.1	175.1	-175.5	-2.9	113.8	M96 Q97 A98 F102	M96-R100 WeakPolarHBondContact O-CB 3.28Å; M96-R100 VanDerWaalsContact O-CG 3.25Å; M96-R100 WeakPolarHBondContact O-CG 3.42Å; M96-R100 PolarHBondContact O-N 3.35Å; M96-R100 VanDerWaalsContact O-N 3.14Å; Q97-R100 CarbonylContact O-C 3.53Å; Q97-R100 PolarHBondContact O-N 2.88Å; A98-R100 PolarHBondContact O-N 3.5Å; R100-F102 PolarHBondContact O-N 3.16Å
101	L	96.6	Very high	98.1	Very high	56 Å²	56	37.7 Å²	37.7	29%	0.293	18%	0.183	S	C	.	.	S	Bend	trans	-58.6	-38.1	179.4	-77.1	171.5	0	0	0	112.2	V78 Q97 A98 A166 A191	V78-L101 HydrophobicContact CG1-CD1 3.94Å; V78-L101 HydrophobicContact CG2-CD1 4.4Å; Q97-L101 PolarHBondContact O-N 3.05Å; Q97-L101 VanDerWaalsContact O-N 3.1Å; A98-L101 WeakPolarHBondContact O-CG 3.32Å; A98-L101 PolarHBondContact O-N 3.18Å; L101-A166 HydrophobicContact CD1-CB 3.99Å; L101-A191 HydrophobicContact CD1-CB 3.52Å; L101-A191 HydrophobicContact CD2-CB 4.2Å
102	F	97.4	Very high	98.1	Very high	10 Å²	10	36.2 Å²	36.2	4%	0.044	18%	0.177	C	C	.	.	S	Bend	trans	-130.7	154	-178.1	-48.8	-71.5	0	0	0	111.6	M63 A66 K67 V76 V78 R100 N104 S105 F164	M63-F102 HydrophobicContact SD-CE1 3.71Å; M63-F102 HydrophobicContact SD-CZ 3.9Å; A66-F102 VanDerWaalsContact C-CD1 3.5Å; A66-F102 HydrophobicContact CB-CD1 3.43Å; A66-F102 VanDerWaalsContact CB-CD1 3.43Å; A66-F102 HydrophobicContact CB-CD2 4.45Å; A66-F102 HydrophobicContact CB-CE1 3.43Å; A66-F102 VanDerWaalsContact CB-CE1 3.43Å; A66-F102 HydrophobicContact CB-CE2 4.45Å; A66-F102 HydrophobicContact CB-CG 3.95Å; A66-F102 HydrophobicContact CB-CZ 3.97Å; K67-F102 HydrophobicContact CG-CD1 4.3Å; K67-F102 HydrophobicContact CG-CE1 4.27Å; V76-F102 HydrophobicContact CB-CB 4.37Å; V76-F102 HydrophobicContact CB-CD2 3.88Å; V76-F102 HydrophobicContact CB-CG 4.28Å; V76-F102 HydrophobicContact CG1-CD2 3.49Å; V76-F102 VanDerWaalsContact CG1-CD2 3.49Å; V76-F102 HydrophobicContact CG1-CE2 3.67Å; V76-F102 HydrophobicContact CG1-CG 4.19Å; V76-F102 HydrophobicContact CG1-CZ 4.49Å; V76-F102 HydrophobicContact CG2-CB 4.2Å; V76-F102 HydrophobicContact CG2-CD2 4.33Å; V76-F102 HydrophobicContact CG2-CG 4.26Å; V78-F102 HydrophobicContact CG2-CD2 3.93Å; V78-F102 HydrophobicContact CG2-CE2 3.87Å; R100-F102 PolarHBondContact O-N 3.16Å; F102-N104 PolarHBondContact O-N 3.41Å; F102-S105 WeakPolarHBondContact CB-OG 3.25Å; F102-S105 PolarHBondContact N-OG 3.07Å; F102-S105 PolarHBondContact O-OG 3.22Å; F102-F164 HydrophobicContact CE1-CE2 4.33Å; F102-F164 HydrophobicContact CE2-CB 4.38Å; F102-F164 AromaticContact CE2-CD2 3.43Å; F102-F164 HydrophobicContact CE2-CD2 3.43Å; F102-F164 VanDerWaalsContact CE2-CD2 3.43Å; F102-F164 AromaticContact CE2-CE2 3.92Å; F102-F164 HydrophobicContact CE2-CE2 3.92Å; F102-F164 AromaticContact CE2-CG 3.99Å; F102-F164 HydrophobicContact CE2-CG 3.99Å; F102-F164 HydrophobicContact CZ-CD1 4.39Å; F102-F164 AromaticContact CZ-CD2 3.47Å; F102-F164 HydrophobicContact CZ-CD2 3.47Å; F102-F164 VanDerWaalsContact CZ-CD2 3.47Å; F102-F164 HydrophobicContact CZ-CE1 4.48Å; F102-F164 AromaticContact CZ-CE2 3.58Å; F102-F164 HydrophobicContact CZ-CE2 3.58Å; F102-F164 AromaticContact CZ-CG 3.91Å; F102-F164 HydrophobicContact CZ-CG 3.91Å; F102-F164 HydrophobicContact CZ-CZ 4.11Å
103	P	96.4	Very high	98.1	Very high	102 Å²	102	35.5 Å²	35.5	66%	0.662	17%	0.171	S	C	*	.	S	Bend	trans	-55.9	-35.1	-179.7	-26.3	34.9	0	0	0	113.9
104	N	96.3	Very high	98	Very high	32 Å²	32	30.8 Å²	30.8	17%	0.171	16%	0.155	C	C	.	.	S	Bend	trans	-125.4	89.6	178.3	-177	17	0	0	0	109.7	T70 P71 P75 V76 F102	T70-N104 PolarHBondContact O-ND2 3.05Å; T70-N104 VanDerWaalsContact O-ND2 3.12Å; T70-N104 PolarHBondContact OG1-ND2 3.29Å; P71-N104 PolarHBondContact O-ND2 2.92Å; P75-N104 WeakPolarHBondContact CB-OD1 3.44Å; V76-N104 PolarHBondContact N-O 3.5Å; F102-N104 PolarHBondContact O-N 3.41Å
105	S	96.8	Very high	97.8	Very high	9 Å²	9	37 Å²	37	6%	0.063	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.1	-175.8	-56.8	0	0	0	0	111.9	V76 K99 F102	V76-S105 CarbonylContact O-C 3.47Å; V76-S105 WeakPolarHBondContact O-CA 3.33Å; K99-S105 PolarHBondContact NZ-O 3.08Å; K99-S105 VanDerWaalsContact O-CB 3.28Å; K99-S105 WeakPolarHBondContact O-CB 3.26Å; K99-S105 PolarHBondContact O-OG 3.41Å; F102-S105 WeakPolarHBondContact CB-OG 3.25Å; F102-S105 PolarHBondContact N-OG 3.07Å; F102-S105 PolarHBondContact O-OG 3.22Å
106	H	97.9	Very high	97.6	Very high	39 Å²	39	38.7 Å²	38.7	18%	0.181	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.8	167	-177	95.2	0	0	0	108.2	P75 V76 R77 V78 D142 E143	P75-H106 HydrophobicContact CB-CB 3.82Å; P75-H106 HydrophobicContact CG-CB 3.85Å; V76-H106 PolarHBondContact O-N 3.15Å; R77-H106 WeakPolarHBondContact CA-O 3.18Å; R77-H106 HydrophobicContact CG-CB 4.46Å; R77-H106 PolarHBondContact NH1-CD2 3.5Å; R77-H106 PolarHBondContact NH1-NE2 3.43Å; R77-H106 VanDerWaalsContact NH1-NE2 3.19Å; V78-H106 PolarHBondContact N-O 3.29Å; H106-D142 WeakPolarHBondContact CA-OD2 3.44Å; H106-D142 VanDerWaalsContact CE1-CB 3.46Å; H106-D142 WeakPolarHBondContact CE1-CB 3.38Å; H106-E143 IonicContact NE2-OE2 3.66Å; H106-E143 PolarHBondContact NE2-OE2 3.39Å
107	L	98.8	Very high	97.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.6	-175.2	-179.3	63	0	0	0	110.6	V78 A80 L95 A98 K99 V109 Y140 V141 D142 E143	V78-L107 HydrophobicContact CB-CD1 4.32Å; V78-L107 HydrophobicContact CG1-CD1 4.2Å; V78-L107 WeakPolarHBondContact O-CA 3.5Å; A80-L107 HydrophobicContact CB-CD1 4.14Å; L95-L107 HydrophobicContact CB-CD2 4.03Å; L95-L107 HydrophobicContact CD2-CD2 4.3Å; L95-L107 WeakPolarHBondContact O-CD2 3.36Å; A98-L107 HydrophobicContact CB-CD1 3.67Å; A98-L107 HydrophobicContact CB-CD2 4.37Å; K99-L107 HydrophobicContact CB-CB 4.41Å; K99-L107 HydrophobicContact CB-CD2 4.07Å; K99-L107 HydrophobicContact CD-CB 4.06Å; L107-V109 HydrophobicContact CD1-CG2 4.42Å; L107-V109 HydrophobicContact CD2-CG2 4.09Å; L107-V109 HydrophobicContact CG-CG2 3.92Å; L107-Y140 WeakPolarHBondContact CD2-O 3.4Å; L107-V141 HydrophobicContact CD2-CG2 4.36Å; L107-D142 PolarHBondContact N-OD2 3.26Å; L107-D142 PolarHBondContact O-N 2.76Å; L107-E143 PolarHBondContact O-N 3.22Å
108	I	98.8	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.5	170.8	-49.3	167.5	0	0	0	107.3	R77 V78 Y79 A80 E143 V145 H160 I162	R77-I108 HydrophobicContact CB-CD1 4.34Å; V78-I108 PolarHBondContact O-N 2.91Å; Y79-I108 CarbonylContact C-O 3.3Å; Y79-I108 WeakPolarHBondContact CA-O 3.41Å; Y79-I108 HydrophobicContact CD2-CB 4.15Å; Y79-I108 HydrophobicContact CD2-CG2 3.9Å; Y79-I108 HydrophobicContact CE2-CG2 4.43Å; A80-I108 PolarHBondContact N-O 3.19Å; I108-E143 CarbonylContact C-O 3.58Å; I108-E143 WeakPolarHBondContact CA-O 3.47Å; I108-E143 HydrophobicContact CG1-CB 4.39Å; I108-E143 HydrophobicContact CG2-CB 4.41Å; I108-E143 HydrophobicContact CG2-CG 4.2Å; I108-V145 HydrophobicContact CG2-CG2 3.45Å; I108-V145 VanDerWaalsContact CG2-CG2 3.45Å; I108-H160 HydrophobicContact CD1-CB 4.42Å; I108-I162 HydrophobicContact CD1-CG1 4.27Å
109	V	98.9	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.7	177.1	-177.6	0	0	0	0	111	A80 F84 L95 L107 V111 I135 V141 E143 V144 V145	A80-V109 CarbonylContact O-C 3.59Å; A80-V109 VanDerWaalsContact O-CA 3.23Å; A80-V109 WeakPolarHBondContact O-CA 3.31Å; F84-V109 HydrophobicContact CD2-CG1 4.33Å; F84-V109 HydrophobicContact CE2-CG1 3.43Å; F84-V109 VanDerWaalsContact CE2-CG1 3.43Å; F84-V109 HydrophobicContact CZ-CG1 3.58Å; L95-V109 HydrophobicContact CD1-CG2 4.29Å; L95-V109 HydrophobicContact CD2-CG1 4.22Å; L95-V109 HydrophobicContact CD2-CG2 3.66Å; L107-V109 HydrophobicContact CD1-CG2 4.42Å; L107-V109 HydrophobicContact CD2-CG2 4.09Å; L107-V109 HydrophobicContact CG-CG2 3.92Å; V109-V111 HydrophobicContact CG1-CG2 4.42Å; V109-I135 HydrophobicContact CB-CG2 3.87Å; V109-I135 HydrophobicContact CG1-CD1 4.39Å; V109-I135 HydrophobicContact CG1-CG2 3.64Å; V109-V141 HydrophobicContact CB-CG1 4.17Å; V109-V141 HydrophobicContact CB-CG2 4.49Å; V109-V141 HydrophobicContact CG2-CB 4.31Å; V109-V141 HydrophobicContact CG2-CG1 3.83Å; V109-V141 HydrophobicContact CG2-CG2 3.6Å; V109-E143 PolarHBondContact N-O 3.11Å; V109-V144 CarbonylContact O-C 3.58Å; V109-V144 WeakPolarHBondContact O-CA 3.31Å; V109-V145 PolarHBondContact O-N 3.03Å
110	G	98.8	Very high	96.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.8	175.3	0	0	0	0	0	112.2	Y79 A80 D81 G82 F84 V145	Y79-G110 WeakPolarHBondContact OH-CA 3.46Å; A80-G110 PolarHBondContact O-N 3.33Å; D81-G110 VanDerWaalsContact CA-O 3.28Å; D81-G110 WeakPolarHBondContact CA-O 3.37Å; G82-G110 PolarHBondContact N-O 2.92Å; G82-G110 VanDerWaalsContact N-O 3.09Å; F84-G110 WeakPolarHBondContact CE2-O 2.95Å; G110-V145 WeakPolarHBondContact CA-O 3.31Å
111	V	98.8	Very high	95.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.3	178.9	-172.5	0	0	0	0	109.5	G82 F84 V109 R131 Y132 I135 V144 V145 N147 A148	G82-V111 WeakPolarHBondContact O-CA 3.48Å; F84-V111 HydrophobicContact CD2-CB 4.43Å; F84-V111 HydrophobicContact CD2-CG1 4.26Å; F84-V111 HydrophobicContact CD2-CG2 3.84Å; F84-V111 HydrophobicContact CE2-CG2 4.17Å; V109-V111 HydrophobicContact CG1-CG2 4.42Å; V111-R131 HydrophobicContact CG1-CB 4.16Å; V111-R131 VanDerWaalsContact CG1-NH1 3.27Å; V111-Y132 HydrophobicContact CB-CD1 3.56Å; V111-Y132 HydrophobicContact CB-CE1 3.58Å; V111-Y132 HydrophobicContact CG1-CD1 3.56Å; V111-Y132 HydrophobicContact CG1-CE1 3.56Å; V111-Y132 HydrophobicContact CG2-CD1 4.19Å; V111-I135 HydrophobicContact CG2-CB 4.26Å; V111-I135 HydrophobicContact CG2-CG1 3.99Å; V111-I135 HydrophobicContact CG2-CG2 4.29Å; V111-V144 HydrophobicContact CG2-CG1 4.17Å; V111-V145 PolarHBondContact N-O 3.46Å; V111-N147 PolarHBondContact O-N 3.45Å; V111-A148 PolarHBondContact O-N 2.98Å
112	C	98.3	Very high	95.2	Very high	7 Å²	7	35.3 Å²	35.3	5%	0.047	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	145.6	179.4	-60.5	0	0	0	0	111.1	G82 I83 R131	G82-C112 PolarHBondContact O-N 3.35Å; I83-C112 HydrophobicContact CD1-CB 3.85Å; C112-R131 PolarHBondContact O-NH1 3.19Å; C112-R131 PolarHBondContact O-NH2 2.99Å
113	S	98.1	Very high	94.7	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.035	19%	0.189	C	C	.	.			trans	-68	159.3	172.6	50.3	0	0	0	0	112.4	E115 L116 T117 E128 N147	S113-E115 VanDerWaalsContact C-N 3.29Å; S113-E115 PolarHBondContact O-N 2.97Å; S113-L116 PolarHBondContact O-N 3.1Å; S113-L116 WeakPolarHBondContact OG-CG 3.48Å; S113-T117 VanDerWaalsContact O-CB 3.31Å; S113-T117 WeakPolarHBondContact O-CB 3.48Å; S113-T117 PolarHBondContact O-N 3.09Å; S113-T117 PolarHBondContact O-OG1 3.05Å; S113-E128 WeakPolarHBondContact CA-OE2 3.41Å; S113-E128 WeakPolarHBondContact CB-OE2 3.49Å; S113-N147 VanDerWaalsContact CB-OD1 3.26Å; S113-N147 WeakPolarHBondContact CB-OD1 3.35Å; S113-N147 PolarHBondContact OG-OD1 3.49Å
114	D	95.7	Very high	94.5	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-41.3	174.9	-75.9	-21.8	0	0	0	110.6	L116 T117 H118 T124 N127 E128 R131	D114-L116 PolarHBondContact O-N 3.36Å; D114-T117 PolarHBondContact O-N 3.28Å; D114-H118 WeakPolarHBondContact O-CB 3.45Å; D114-H118 PolarHBondContact O-CD2 3.44Å; D114-H118 VanDerWaalsContact O-CG 3.24Å; D114-H118 PolarHBondContact O-N 2.82Å; D114-T124 PolarHBondContact OD1-OG1 2.94Å; D114-N127 WeakPolarHBondContact OD2-CA 3.41Å; D114-E128 HydrophobicContact CB-CB 4.49Å; D114-E128 PolarHBondContact N-OE2 3.33Å; D114-E128 PolarHBondContact OD1-N 3.39Å; D114-E128 PolarHBondContact OD2-N 2.87Å; D114-R131 IonicContact OD1-CZ 3.08Å; D114-R131 IonicContact OD1-NE 3.51Å; D114-R131 IonicContact OD1-NH2 3.73Å; D114-R131 PolarHBondContact OD1-NH2 3.24Å
115	E	95.4	Very high	94.4	Very high	157 Å²	157	37.1 Å²	37.1	73%	0.734	18%	0.179	S	C	*	.	H	α-helix	trans	-55.9	-51.5	177.5	-174.2	-174.1	168.2	0	0	111.9	S113 T117 K119	S113-E115 VanDerWaalsContact C-N 3.29Å; S113-E115 PolarHBondContact O-N 2.97Å; E115-T117 VanDerWaalsContact C-N 3.35Å; E115-K119 VanDerWaalsContact O-CB 3.28Å; E115-K119 WeakPolarHBondContact O-CB 3.49Å; E115-K119 PolarHBondContact O-N 3.29Å; E115-K119 VanDerWaalsContact O-N 3.15Å
116	L	94.1	Very high	94.4	Very high	39 Å²	39	39.9 Å²	39.9	20%	0.204	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-40.4	178.5	-75	174.7	0	0	0	111.6	S113 D114 K119 Y120 A148 W150	S113-L116 PolarHBondContact O-N 3.1Å; S113-L116 WeakPolarHBondContact OG-CG 3.48Å; D114-L116 PolarHBondContact O-N 3.36Å; L116-K119 PolarHBondContact O-N 3.19Å; L116-Y120 HydrophobicContact CD2-CD2 4.15Å; L116-Y120 HydrophobicContact CD2-CE2 3.75Å; L116-Y120 WeakPolarHBondContact O-CD2 3.49Å; L116-Y120 PolarHBondContact O-N 3.46Å; L116-A148 WeakPolarHBondContact CD1-O 3.35Å; L116-W150 HydrophobicContact CB-CE3 4.34Å
117	T	93.8	Very high	94.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-46.3	-177.3	-55.9	0	0	0	0	111.7	I83 S113 D114 E115 K119 Y120 K121 G122 T124	I83-T117 HydrophobicContact CB-CG2 4.5Å; I83-T117 HydrophobicContact CD1-CG2 3.81Å; I83-T117 HydrophobicContact CG1-CG2 4.04Å; I83-T117 HydrophobicContact CG2-CG2 3.64Å; S113-T117 VanDerWaalsContact O-CB 3.31Å; S113-T117 WeakPolarHBondContact O-CB 3.48Å; S113-T117 PolarHBondContact O-N 3.09Å; S113-T117 PolarHBondContact O-OG1 3.05Å; D114-T117 PolarHBondContact O-N 3.28Å; E115-T117 VanDerWaalsContact C-N 3.35Å; T117-K119 VanDerWaalsContact C-N 3.29Å; T117-K119 PolarHBondContact O-N 3.27Å; T117-Y120 PolarHBondContact O-N 2.95Å; T117-K121 WeakPolarHBondContact O-CA 3.48Å; T117-K121 WeakPolarHBondContact O-CB 3.32Å; T117-K121 PolarHBondContact O-N 3.32Å; T117-G122 CarbonylContact C-O 3.11Å; T117-G122 PolarHBondContact O-N 2.81Å; T117-T124 HydrophobicContact CG2-CG2 3.68Å
118	H	91.1	Very high	94.3	Very high	68 Å²	68	44 Å²	44	32%	0.315	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-34.4	178.9	-64.7	176.3	0	0	0	111.4	D114 G122 T124	D114-H118 WeakPolarHBondContact O-CB 3.45Å; D114-H118 PolarHBondContact O-CD2 3.44Å; D114-H118 VanDerWaalsContact O-CG 3.24Å; D114-H118 PolarHBondContact O-N 2.82Å; H118-G122 WeakPolarHBondContact CA-O 3.41Å; H118-G122 PolarHBondContact CD2-O 3.2Å; H118-G122 VanDerWaalsContact CD2-O 3.24Å; H118-T124 PolarHBondContact NE2-OG1 3.13Å
119	K	90.3	Very high	94.3	Very high	111 Å²	111	49 Å²	49	48%	0.483	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-44.5	177.3	-175.4	178.6	-177.2	-172.6	0	113.3	E115 L116 T117	E115-K119 VanDerWaalsContact O-CB 3.28Å; E115-K119 WeakPolarHBondContact O-CB 3.49Å; E115-K119 PolarHBondContact O-N 3.29Å; E115-K119 VanDerWaalsContact O-N 3.15Å; L116-K119 PolarHBondContact O-N 3.19Å; T117-K119 VanDerWaalsContact C-N 3.29Å; T117-K119 PolarHBondContact O-N 3.27Å
120	Y	87.9	Confident	94.3	Very high	68 Å²	68	53 Å²	53	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-110.8	-9	-167.3	-66.1	-58.5	0	0	0	115.4	L116 T117 W150 S174 A175	L116-Y120 HydrophobicContact CD2-CD2 4.15Å; L116-Y120 HydrophobicContact CD2-CE2 3.75Å; L116-Y120 WeakPolarHBondContact O-CD2 3.49Å; L116-Y120 PolarHBondContact O-N 3.46Å; T117-Y120 PolarHBondContact O-N 2.95Å; Y120-W150 HydrophobicContact CD2-CB 4.13Å; Y120-W150 AromaticContact CD2-CD2 3.67Å; Y120-W150 HydrophobicContact CD2-CD2 3.67Å; Y120-W150 HydrophobicContact CD2-CE3 4.06Å; Y120-W150 AromaticContact CD2-CG 3.67Å; Y120-W150 HydrophobicContact CD2-CG 3.67Å; Y120-W150 HydrophobicContact CE2-CB 4.26Å; Y120-W150 HydrophobicContact CE2-CG 4.19Å; Y120-W150 AromaticContact CG-CD2 3.98Å; Y120-W150 HydrophobicContact CG-CD2 3.98Å; Y120-W150 AromaticContact CG-CE2 3.9Å; Y120-W150 HydrophobicContact CG-CG 4.17Å; Y120-W150 HydrophobicContact CG-CZ2 4.41Å; Y120-W150 AromaticContact CG-NE1 3.94Å; Y120-S174 PolarHBondContact O-OG 3.49Å; Y120-A175 HydrophobicContact CD1-CB 3.62Å; Y120-A175 HydrophobicContact CE1-CB 3.55Å; Y120-A175 HydrophobicContact CG-CB 4.39Å
121	K	87.5	Confident	94.3	Very high	61 Å²	61	53.1 Å²	53.1	27%	0.265	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	-59.9	-178.6	-179.4	-175.6	-174.4	-176.9	0	113.8	I83 T117 W150 G293 P294	I83-K121 HydrophobicContact CD1-CD 4.34Å; I83-K121 HydrophobicContact CG1-CD 3.79Å; T117-K121 WeakPolarHBondContact O-CA 3.48Å; T117-K121 WeakPolarHBondContact O-CB 3.32Å; T117-K121 PolarHBondContact O-N 3.32Å; K121-W150 HydrophobicContact CB-CH2 3.69Å; K121-W150 HydrophobicContact CB-CZ2 4.3Å; K121-G293 CarbonylContact O-C 3.56Å; K121-P294 VanDerWaalsContact O-CA 3.32Å; K121-P294 WeakPolarHBondContact O-CA 3.32Å
122	G	87.9	Confident	94.3	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.021	26%	0.26	C	S	.	.			trans	160.8	-179.1	-169.3	0	0	0	0	0	112.8	T117 H118 M291	T117-G122 CarbonylContact C-O 3.11Å; T117-G122 PolarHBondContact O-N 2.81Å; H118-G122 WeakPolarHBondContact CA-O 3.41Å; H118-G122 PolarHBondContact CD2-O 3.2Å; H118-G122 VanDerWaalsContact CD2-O 3.24Å; G122-M291 WeakPolarHBondContact CA-O 3.38Å
123	F	88.1	Confident	94.3	Very high	79 Å²	79	56.8 Å²	56.8	35%	0.346	28%	0.278	S	S	.	.			trans	-68.4	158.6	178.7	-68.4	-73.6	0	0	0	112.4	M291 F292	F123-M291 HydrophobicContact CD2-CB 4Å; F123-M291 HydrophobicContact CD2-CE 3.92Å; F123-M291 WeakPolarHBondContact CD2-O 3.44Å; F123-M291 HydrophobicContact CE2-CE 3.69Å; F123-M291 PolarHBondContact N-O 3.03Å; F123-F292 HydrophobicContact CB-CD1 4.25Å; F123-F292 HydrophobicContact CB-CE1 4.09Å; F123-F292 VanDerWaalsContact O-CD1 3.23Å; F123-F292 WeakPolarHBondContact O-CD1 3.34Å
124	T	92.3	Very high	94.3	Very high	23 Å²	23	58 Å²	58	14%	0.141	29%	0.288	C	S	.	.			trans	-114.6	142.6	171.8	46.9	0	0	0	0	109.2	I83 D85 D114 T117 H118 M126	I83-T124 HydrophobicContact CG2-CG2 3.77Å; D85-T124 HydrophobicContact CB-CG2 4.36Å; D85-T124 WeakPolarHBondContact OD2-CA 3.27Å; D114-T124 PolarHBondContact OD1-OG1 2.94Å; T117-T124 HydrophobicContact CG2-CG2 3.68Å; H118-T124 PolarHBondContact NE2-OG1 3.13Å; T124-M126 VanDerWaalsContact CB-O 3.26Å; T124-M126 WeakPolarHBondContact CB-O 3.49Å; T124-M126 PolarHBondContact OG1-O 2.85Å
125	V	94	Very high	94.5	Very high	81 Å²	81	56.5 Å²	56.5	49%	0.491	28%	0.28	S	S	.	.	S	Bend	trans	-78	-45.6	171	178	0	0	0	0	109.8	D85 V86 I205 F292	D85-V125 PolarHBondContact OD1-N 3.09Å; D85-V125 PolarHBondContact OD2-N 3.19Å; V86-V125 HydrophobicContact CG2-CB 3.95Å; V86-V125 HydrophobicContact CG2-CG1 4.36Å; V86-V125 HydrophobicContact CG2-CG2 4.24Å; V125-I205 HydrophobicContact CG2-CD1 3.64Å; V125-I205 HydrophobicContact CG2-CG1 4.08Å; V125-F292 HydrophobicContact CG2-CD1 4.38Å; V125-F292 HydrophobicContact CG2-CE1 3.61Å; V125-F292 HydrophobicContact CG2-CZ 4.2Å
126	M	95.4	Very high	94.6	Very high	66 Å²	66	51.4 Å²	51.4	33%	0.325	25%	0.254	S	S	.	.	S	Bend	trans	-91.7	137.3	176	-50.5	-64.2	-62.5	0	0	109.8	D85 V86 T124 E130 R131	D85-M126 WeakPolarHBondContact OD1-CB 3.23Å; D85-M126 WeakPolarHBondContact OD1-CG 3.46Å; D85-M126 PolarHBondContact OD1-N 3Å; V86-M126 HydrophobicContact CG2-CG 4.45Å; T124-M126 VanDerWaalsContact CB-O 3.26Å; T124-M126 WeakPolarHBondContact CB-O 3.49Å; T124-M126 PolarHBondContact OG1-O 2.85Å; M126-E130 VanDerWaalsContact CA-OE2 3.26Å; M126-E130 WeakPolarHBondContact CA-OE2 3.5Å; M126-E130 HydrophobicContact CB-CB 4.15Å; M126-E130 HydrophobicContact CE-CB 3.74Å; M126-E130 HydrophobicContact CE-CG 4.09Å; M126-R131 HydrophobicContact CB-CG 3.78Å; M126-R131 WeakPolarHBondContact O-CD 3.45Å; M126-R131 PolarHBondContact O-NE 2.79Å
127	N	97.8	Very high	94.8	Very high	66 Å²	66	55 Å²	55	35%	0.353	27%	0.27	S	S	.	.			trans	-70.8	167.7	173.9	68.5	57.1	0	0	0	111.6	D114 D129 E130 R131	D114-N127 WeakPolarHBondContact OD2-CA 3.41Å; N127-D129 VanDerWaalsContact C-N 3.35Å; N127-D129 PolarHBondContact O-N 3.17Å; N127-D129 PolarHBondContact OD1-N 2.77Å; N127-D129 VanDerWaalsContact OD1-N 3.1Å; N127-E130 PolarHBondContact N-OE2 2.65Å; N127-E130 PolarHBondContact ND2-OE1 2.72Å; N127-E130 PolarHBondContact ND2-OE2 2.91Å; N127-E130 PolarHBondContact O-N 2.84Å; N127-E130 WeakPolarHBondContact OD1-CG 3.39Å; N127-E130 PolarHBondContact OD1-N 2.83Å; N127-R131 WeakPolarHBondContact O-CG 3.28Å; N127-R131 PolarHBondContact O-N 2.9Å
128	E	98.1	Very high	95	Very high	59 Å²	59	55.4 Å²	55.4	28%	0.276	27%	0.272	S	S	.	.	H	α-helix	trans	-59.7	-38.9	-176	66.2	-174.4	-151.2	0	0	114.5	S113 D114 R131 Y132	S113-E128 WeakPolarHBondContact CA-OE2 3.41Å; S113-E128 WeakPolarHBondContact CB-OE2 3.49Å; D114-E128 HydrophobicContact CB-CB 4.49Å; D114-E128 PolarHBondContact N-OE2 3.33Å; D114-E128 PolarHBondContact OD1-N 3.39Å; D114-E128 PolarHBondContact OD2-N 2.87Å; E128-R131 VanDerWaalsContact CB-NH2 3.3Å; E128-R131 PolarHBondContact O-N 2.82Å; E128-Y132 HydrophobicContact CB-CE1 4.32Å; E128-Y132 HydrophobicContact CB-CE2 3.98Å; E128-Y132 HydrophobicContact CG-CE2 3.97Å; E128-Y132 WeakPolarHBondContact O-CB 3.42Å; E128-Y132 VanDerWaalsContact O-CD1 3.27Å; E128-Y132 WeakPolarHBondContact O-CD1 3.39Å; E128-Y132 VanDerWaalsContact O-CD2 3.23Å; E128-Y132 WeakPolarHBondContact O-CD2 3.38Å; E128-Y132 PolarHBondContact O-N 3.4Å
129	D	98.5	Very high	95.4	Very high	107 Å²	107	61.9 Å²	61.9	57%	0.572	29%	0.294	S	S	*	.	H	α-helix	trans	-65.8	-41.1	178.2	-71.5	-37.3	0	0	0	111.9	N127 R131 Y132 D133	N127-D129 VanDerWaalsContact C-N 3.35Å; N127-D129 PolarHBondContact O-N 3.17Å; N127-D129 PolarHBondContact OD1-N 2.77Å; N127-D129 VanDerWaalsContact OD1-N 3.1Å; D129-R131 VanDerWaalsContact C-N 3.3Å; D129-R131 PolarHBondContact O-N 2.86Å; D129-Y132 WeakPolarHBondContact O-CB 3.44Å; D129-Y132 PolarHBondContact O-N 2.83Å; D129-D133 WeakPolarHBondContact O-CB 3.38Å; D129-D133 PolarHBondContact O-N 3.09Å
130	E	98.7	Very high	95.8	Very high	83 Å²	83	59.2 Å²	59.2	39%	0.388	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-38.4	174	-69.6	168.5	156.5	0	0	111.7	M126 N127 A134	M126-E130 VanDerWaalsContact CA-OE2 3.26Å; M126-E130 WeakPolarHBondContact CA-OE2 3.5Å; M126-E130 HydrophobicContact CB-CB 4.15Å; M126-E130 HydrophobicContact CE-CB 3.74Å; M126-E130 HydrophobicContact CE-CG 4.09Å; N127-E130 PolarHBondContact N-OE2 2.65Å; N127-E130 PolarHBondContact ND2-OE1 2.72Å; N127-E130 PolarHBondContact ND2-OE2 2.91Å; N127-E130 PolarHBondContact O-N 2.84Å; N127-E130 WeakPolarHBondContact OD1-CG 3.39Å; N127-E130 PolarHBondContact OD1-N 2.83Å; E130-A134 WeakPolarHBondContact O-CB 3.47Å; E130-A134 PolarHBondContact O-N 2.7Å
131	R	98.8	Very high	96.3	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-71.2	-38.4	177.2	-66	179.8	-59.3	101.3	-5.2	111.5	I83 V111 C112 D114 M126 N127 E128 D129 I135	I83-R131 WeakPolarHBondContact O-CD 3.41Å; I83-R131 PolarHBondContact O-NH1 2.86Å; V111-R131 HydrophobicContact CG1-CB 4.16Å; V111-R131 VanDerWaalsContact CG1-NH1 3.27Å; C112-R131 PolarHBondContact O-NH1 3.19Å; C112-R131 PolarHBondContact O-NH2 2.99Å; D114-R131 IonicContact OD1-CZ 3.08Å; D114-R131 IonicContact OD1-NE 3.51Å; D114-R131 IonicContact OD1-NH2 3.73Å; D114-R131 PolarHBondContact OD1-NH2 3.24Å; M126-R131 HydrophobicContact CB-CG 3.78Å; M126-R131 WeakPolarHBondContact O-CD 3.45Å; M126-R131 PolarHBondContact O-NE 2.79Å; N127-R131 WeakPolarHBondContact O-CG 3.28Å; N127-R131 PolarHBondContact O-N 2.9Å; E128-R131 VanDerWaalsContact CB-NH2 3.3Å; E128-R131 PolarHBondContact O-N 2.82Å; D129-R131 VanDerWaalsContact C-N 3.3Å; D129-R131 PolarHBondContact O-N 2.86Å; R131-I135 WeakPolarHBondContact O-CG1 3.28Å; R131-I135 PolarHBondContact O-N 2.83Å
132	Y	98.7	Very high	96.8	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-51.3	172.7	-62.2	-23.1	0	0	0	110.3	V111 E128 D129 A134 I135 R136 R146 N147	V111-Y132 HydrophobicContact CB-CD1 3.56Å; V111-Y132 HydrophobicContact CB-CE1 3.58Å; V111-Y132 HydrophobicContact CG1-CD1 3.56Å; V111-Y132 HydrophobicContact CG1-CE1 3.56Å; V111-Y132 HydrophobicContact CG2-CD1 4.19Å; E128-Y132 HydrophobicContact CB-CE1 4.32Å; E128-Y132 HydrophobicContact CB-CE2 3.98Å; E128-Y132 HydrophobicContact CG-CE2 3.97Å; E128-Y132 WeakPolarHBondContact O-CB 3.42Å; E128-Y132 VanDerWaalsContact O-CD1 3.27Å; E128-Y132 WeakPolarHBondContact O-CD1 3.39Å; E128-Y132 VanDerWaalsContact O-CD2 3.23Å; E128-Y132 WeakPolarHBondContact O-CD2 3.38Å; E128-Y132 PolarHBondContact O-N 3.4Å; D129-Y132 WeakPolarHBondContact O-CB 3.44Å; D129-Y132 PolarHBondContact O-N 2.83Å; Y132-A134 PolarHBondContact O-N 3.2Å; Y132-I135 PolarHBondContact O-N 3.22Å; Y132-R136 WeakPolarHBondContact O-CG 3.29Å; Y132-R136 PolarHBondContact O-N 3.25Å; Y132-R146 HydrophobicContact CD1-CG 4.03Å; Y132-R146 HydrophobicContact CD2-CB 4.37Å; Y132-R146 HydrophobicContact CD2-CG 3.7Å; Y132-R146 HydrophobicContact CE1-CB 4.23Å; Y132-R146 HydrophobicContact CE1-CG 4.2Å; Y132-R146 HydrophobicContact CE2-CB 4.01Å; Y132-R146 HydrophobicContact CE2-CG 3.86Å; Y132-R146 HydrophobicContact CG-CG 3.79Å; Y132-N147 PolarHBondContact OH-N 3.09Å
133	D	98.7	Very high	97.2	Very high	77 Å²	77	55.8 Å²	55.8	41%	0.412	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-44.3	-179.8	-166.2	59.1	0	0	0	112.4	D129 I135 R136 H137	D129-D133 WeakPolarHBondContact O-CB 3.38Å; D129-D133 PolarHBondContact O-N 3.09Å; D133-I135 PolarHBondContact O-N 3.25Å; D133-R136 WeakPolarHBondContact O-CB 3.44Å; D133-R136 PolarHBondContact O-N 3.39Å; D133-R136 VanDerWaalsContact O-N 3.13Å; D133-H137 PolarHBondContact O-CD2 2.96Å; D133-H137 PolarHBondContact O-N 2.91Å; D133-H137 IonicContact OD1-NE2 3.81Å; D133-H137 IonicContact OD2-CD2 2.89Å; D133-H137 IonicContact OD2-NE2 2.97Å
134	A	98.6	Very high	97.7	Very high	30 Å²	30	52 Å²	52	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-55.9	-39.6	177.4	0	0	0	0	0	112.8	F87 E130 Y132 H137	F87-A134 HydrophobicContact CB-CB 3.88Å; F87-A134 HydrophobicContact CG-CB 4.34Å; E130-A134 WeakPolarHBondContact O-CB 3.47Å; E130-A134 PolarHBondContact O-N 2.7Å; Y132-A134 PolarHBondContact O-N 3.2Å; A134-H137 PolarHBondContact O-N 2.93Å
135	I	98.6	Very high	98	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-73.2	-36.1	-179.9	-70.3	-70.2	0	0	0	112.2	F84 F87 L95 V109 V111 R131 Y132 D133 H137 C138 V141 V144	F84-I135 HydrophobicContact CB-CD1 3.71Å; F84-I135 HydrophobicContact CB-CG1 3.85Å; F84-I135 HydrophobicContact CD1-CD1 3.55Å; F84-I135 HydrophobicContact CD1-CG1 4.48Å; F84-I135 HydrophobicContact CD2-CD1 3.73Å; F84-I135 HydrophobicContact CD2-CG1 3.87Å; F84-I135 HydrophobicContact CE1-CD1 4.04Å; F84-I135 HydrophobicContact CE2-CD1 4.19Å; F84-I135 HydrophobicContact CG-CD1 3.36Å; F84-I135 HydrophobicContact CG-CG1 3.82Å; F84-I135 HydrophobicContact CZ-CD1 4.34Å; F87-I135 HydrophobicContact CD2-CD1 3.63Å; F87-I135 HydrophobicContact CE2-CD1 3.41Å; F87-I135 VanDerWaalsContact CE2-CD1 3.41Å; F87-I135 HydrophobicContact CZ-CD1 4.31Å; L95-I135 HydrophobicContact CD1-CD1 4Å; V109-I135 HydrophobicContact CB-CG2 3.87Å; V109-I135 HydrophobicContact CG1-CD1 4.39Å; V109-I135 HydrophobicContact CG1-CG2 3.64Å; V111-I135 HydrophobicContact CG2-CB 4.26Å; V111-I135 HydrophobicContact CG2-CG1 3.99Å; V111-I135 HydrophobicContact CG2-CG2 4.29Å; R131-I135 WeakPolarHBondContact O-CG1 3.28Å; R131-I135 PolarHBondContact O-N 2.83Å; Y132-I135 PolarHBondContact O-N 3.22Å; D133-I135 PolarHBondContact O-N 3.25Å; I135-H137 PolarHBondContact O-N 3.45Å; I135-H137 VanDerWaalsContact O-N 3.14Å; I135-C138 VanDerWaalsContact O-CB 3.29Å; I135-C138 WeakPolarHBondContact O-CB 3.49Å; I135-C138 PolarHBondContact O-N 2.89Å; I135-V141 HydrophobicContact CG2-CG1 4.28Å; I135-V141 HydrophobicContact CG2-CG2 4.35Å; I135-V144 HydrophobicContact CG2-CG1 4.27Å; I135-V144 HydrophobicContact CG2-CG2 3.78Å
136	R	98.3	Very high	98.3	Very high	49 Å²	49	51.8 Å²	51.8	19%	0.185	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-26.8	176.5	-65.3	178.7	81	175.6	14.3	113.3	P43 A44 F46 E49 Y132 D133 V144	P43-R136 HydrophobicContact CB-CB 3.92Å; A44-R136 PolarHBondContact N-O 3.46Å; A44-R136 WeakPolarHBondContact O-CG 3.11Å; A44-R136 PolarHBondContact O-NE 3.14Å; A44-R136 PolarHBondContact O-NH2 3.39Å; F46-R136 HydrophobicContact CE1-CG 4.06Å; F46-R136 VanDerWaalsContact CZ-CD 3.49Å; F46-R136 HydrophobicContact CZ-CG 4.27Å; E49-R136 IonicContact OE1-NH2 3.75Å; E49-R136 IonicContact OE2-NH2 2.81Å; E49-R136 PolarHBondContact OE2-NH2 3.3Å; Y132-R136 WeakPolarHBondContact O-CG 3.29Å; Y132-R136 PolarHBondContact O-N 3.25Å; D133-R136 WeakPolarHBondContact O-CB 3.44Å; D133-R136 PolarHBondContact O-N 3.39Å; D133-R136 VanDerWaalsContact O-N 3.13Å; R136-V144 HydrophobicContact CG-CB 4.48Å; R136-V144 HydrophobicContact CG-CG2 3.91Å
137	H	98.5	Very high	98.4	Very high	115 Å²	115	53.4 Å²	53.4	53%	0.532	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.1	179.4	-65.2	-57.1	0	0	0	113.9	D133 A134 I135 R139	D133-H137 PolarHBondContact O-CD2 2.96Å; D133-H137 PolarHBondContact O-N 2.91Å; D133-H137 IonicContact OD1-NE2 3.81Å; D133-H137 IonicContact OD2-CD2 2.89Å; D133-H137 IonicContact OD2-NE2 2.97Å; A134-H137 PolarHBondContact O-N 2.93Å; I135-H137 PolarHBondContact O-N 3.45Å; I135-H137 VanDerWaalsContact O-N 3.14Å; H137-R139 PolarHBondContact O-N 3.37Å
138	C	98.3	Very high	98.4	Very high	10 Å²	10	50.3 Å²	50.3	7%	0.068	24%	0.235	C	C	.	.			trans	-75.3	126.3	174.9	-174.2	0	0	0	0	111	F87 L95 I135 Y140 V141	F87-C138 HydrophobicContact CE1-CB 4.38Å; F87-C138 HydrophobicContact CZ-CB 3.91Å; L95-C138 HydrophobicContact CD1-CB 4.46Å; I135-C138 VanDerWaalsContact O-CB 3.29Å; I135-C138 WeakPolarHBondContact O-CB 3.49Å; I135-C138 PolarHBondContact O-N 2.89Å; C138-Y140 PolarHBondContact O-N 3.48Å; C138-V141 HydrophobicContact CB-CB 4.4Å; C138-V141 HydrophobicContact CB-CG2 3.67Å; C138-V141 PolarHBondContact O-N 3.19Å; C138-V141 VanDerWaalsContact O-N 3.16Å
139	R	98.1	Very high	98.4	Very high	203 Å²	203	49 Å²	49	77%	0.766	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	-29.5	-177.2	-179.5	176.6	-179.9	106.8	2.8	115.3	H137	H137-R139 PolarHBondContact O-N 3.37Å
140	Y	98.3	Very high	98.2	Very high	56 Å²	56	44.9 Å²	44.9	22%	0.22	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-8	-169.1	-50.4	-69.9	0	0	0	113.6	A92 M96 K99 L107 C138	A92-Y140 WeakPolarHBondContact O-CD2 3.37Å; A92-Y140 WeakPolarHBondContact O-CE2 3.27Å; M96-Y140 HydrophobicContact CB-CD1 4.04Å; M96-Y140 HydrophobicContact CB-CD2 3.72Å; M96-Y140 HydrophobicContact CB-CE1 3.89Å; M96-Y140 HydrophobicContact CB-CE2 3.58Å; M96-Y140 HydrophobicContact CB-CG 3.95Å; M96-Y140 HydrophobicContact CG-CD1 3.95Å; M96-Y140 HydrophobicContact CG-CD2 4.44Å; M96-Y140 HydrophobicContact CG-CE1 3.51Å; M96-Y140 HydrophobicContact CG-CE2 4.07Å; M96-Y140 HydrophobicContact CG-CG 4.39Å; M96-Y140 HydrophobicContact SD-CE1 3.96Å; M96-Y140 HydrophobicContact SD-CE2 4.4Å; M96-Y140 PolarHBondContact SD-OH 2.65Å; K99-Y140 WeakPolarHBondContact CD-O 3.27Å; L107-Y140 WeakPolarHBondContact CD2-O 3.4Å; C138-Y140 PolarHBondContact O-N 3.48Å
141	V	98.6	Very high	98.1	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.036	21%	0.208	C	C	.	.			trans	-91.6	133.5	-171.5	178.4	0	0	0	0	110	A44 L95 L107 V109 I135 C138 V144	A44-V141 HydrophobicContact CB-CB 4.41Å; A44-V141 HydrophobicContact CB-CG1 3.93Å; L95-V141 HydrophobicContact CD1-CG2 3.84Å; L107-V141 HydrophobicContact CD2-CG2 4.36Å; V109-V141 HydrophobicContact CB-CG1 4.17Å; V109-V141 HydrophobicContact CB-CG2 4.49Å; V109-V141 HydrophobicContact CG2-CB 4.31Å; V109-V141 HydrophobicContact CG2-CG1 3.83Å; V109-V141 HydrophobicContact CG2-CG2 3.6Å; I135-V141 HydrophobicContact CG2-CG1 4.28Å; I135-V141 HydrophobicContact CG2-CG2 4.35Å; C138-V141 HydrophobicContact CB-CB 4.4Å; C138-V141 HydrophobicContact CB-CG2 3.67Å; C138-V141 PolarHBondContact O-N 3.19Å; C138-V141 VanDerWaalsContact O-N 3.16Å; V141-V144 HydrophobicContact CG1-CG2 3.81Å
142	D	98.3	Very high	98	Very high	46 Å²	46	44.1 Å²	44.1	25%	0.246	21%	0.209	C	C	.	.	S	Bend	trans	-105.3	-29.7	177.7	-52.8	-79.4	0	0	0	112.5	P45 K99 H106 L107	P45-D142 VanDerWaalsContact CD-O 3.31Å; P45-D142 WeakPolarHBondContact CD-O 3.34Å; K99-D142 IonicContact NZ-OD1 2.8Å; K99-D142 PolarHBondContact NZ-OD1 2.77Å; K99-D142 IonicContact NZ-OD2 3.8Å; K99-D142 PolarHBondContact NZ-OD2 2.86Å; H106-D142 WeakPolarHBondContact CA-OD2 3.44Å; H106-D142 VanDerWaalsContact CE1-CB 3.46Å; H106-D142 WeakPolarHBondContact CE1-CB 3.38Å; L107-D142 PolarHBondContact N-OD2 3.26Å; L107-D142 PolarHBondContact O-N 2.76Å
143	E	97.6	Very high	97.9	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.028	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	140.9	-177.1	178.1	-173	146.3	0	0	109.8	A47 L50 R77 H106 L107 I108 V109 H160	A47-E143 HydrophobicContact CB-CG 4Å; A47-E143 WeakPolarHBondContact CB-OE1 3.44Å; L50-E143 HydrophobicContact CD1-CB 4.31Å; L50-E143 HydrophobicContact CD1-CG 3.71Å; R77-E143 IonicContact CZ-OE2 3.8Å; R77-E143 IonicContact NH1-OE2 3.84Å; R77-E143 IonicContact NH2-OE1 3.8Å; R77-E143 IonicContact NH2-OE2 3.72Å; R77-E143 PolarHBondContact NH2-OE2 3.46Å; H106-E143 IonicContact NE2-OE2 3.66Å; H106-E143 PolarHBondContact NE2-OE2 3.39Å; L107-E143 PolarHBondContact O-N 3.22Å; I108-E143 CarbonylContact C-O 3.58Å; I108-E143 WeakPolarHBondContact CA-O 3.47Å; I108-E143 HydrophobicContact CG1-CB 4.39Å; I108-E143 HydrophobicContact CG2-CB 4.41Å; I108-E143 HydrophobicContact CG2-CG 4.2Å; V109-E143 PolarHBondContact N-O 3.11Å; E143-H160 IonicContact OE1-ND1 2.74Å
144	V	98.8	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.4	176.1	-176.4	0	0	0	0	111.3	A44 P45 F46 A47 V109 V111 I135 R136 V141	A44-V144 HydrophobicContact CB-CG2 4.18Å; P45-V144 PolarHBondContact O-N 3.5Å; F46-V144 CarbonylContact C-O 3.55Å; F46-V144 WeakPolarHBondContact CA-O 3.37Å; F46-V144 HydrophobicContact CD1-CB 3.86Å; F46-V144 HydrophobicContact CD1-CG1 3.99Å; F46-V144 HydrophobicContact CE1-CB 4.24Å; F46-V144 HydrophobicContact CE1-CG1 4.01Å; A47-V144 PolarHBondContact N-O 3.49Å; V109-V144 CarbonylContact O-C 3.58Å; V109-V144 WeakPolarHBondContact O-CA 3.31Å; V111-V144 HydrophobicContact CG2-CG1 4.17Å; I135-V144 HydrophobicContact CG2-CG1 4.27Å; I135-V144 HydrophobicContact CG2-CG2 3.78Å; R136-V144 HydrophobicContact CG-CB 4.48Å; R136-V144 HydrophobicContact CG-CG2 3.91Å; V141-V144 HydrophobicContact CG1-CG2 3.81Å
145	V	98.6	Very high	97.5	Very high	8 Å²	8	52 Å²	52	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.5	173.3	-179.4	0	0	0	0	108.9	A47 I108 V109 G110 V111 F156	A47-V145 HydrophobicContact CB-CG2 3.75Å; I108-V145 HydrophobicContact CG2-CG2 3.45Å; I108-V145 VanDerWaalsContact CG2-CG2 3.45Å; V109-V145 PolarHBondContact O-N 3.03Å; G110-V145 WeakPolarHBondContact CA-O 3.31Å; V111-V145 PolarHBondContact N-O 3.46Å; V145-F156 HydrophobicContact CG1-CE2 4.04Å; V145-F156 HydrophobicContact CG1-CZ 4.01Å
146	R	98.5	Very high	97.4	Very high	91 Å²	91	53.1 Å²	53.1	34%	0.343	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	157.4	173.5	-66.7	178.9	-76	175.9	-5	111	F46 D48 Y132 A148	F46-R146 HydrophobicContact CD1-CG 3.67Å; F46-R146 HydrophobicContact CE1-CG 3.63Å; F46-R146 HydrophobicContact CG-CG 4.49Å; F46-R146 HydrophobicContact CZ-CG 4.38Å; D48-R146 IonicContact OD1-CZ 3.9Å; D48-R146 IonicContact OD1-NE 3.3Å; D48-R146 IonicContact OD1-NH2 2.67Å; D48-R146 PolarHBondContact OD1-NH2 3.41Å; D48-R146 IonicContact OD2-CZ 2.93Å; D48-R146 IonicContact OD2-NH2 3.69Å; D48-R146 PolarHBondContact OD2-NH2 3.01Å; Y132-R146 HydrophobicContact CD1-CG 4.03Å; Y132-R146 HydrophobicContact CD2-CB 4.37Å; Y132-R146 HydrophobicContact CD2-CG 3.7Å; Y132-R146 HydrophobicContact CE1-CB 4.23Å; Y132-R146 HydrophobicContact CE1-CG 4.2Å; Y132-R146 HydrophobicContact CE2-CB 4.01Å; Y132-R146 HydrophobicContact CE2-CG 3.86Å; Y132-R146 HydrophobicContact CG-CG 3.79Å; R146-A148 VanDerWaalsContact C-N 3.26Å; R146-A148 PolarHBondContact O-N 2.91Å
147	N	97.7	Very high	97.3	Very high	101 Å²	101	51.7 Å²	51.7	54%	0.54	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48	48.5	179.9	-166.2	25.8	0	0	0	112.7	V111 S113 Y132	V111-N147 PolarHBondContact O-N 3.45Å; S113-N147 VanDerWaalsContact CB-OD1 3.26Å; S113-N147 WeakPolarHBondContact CB-OD1 3.35Å; S113-N147 PolarHBondContact OG-OD1 3.49Å; Y132-N147 PolarHBondContact OH-N 3.09Å
148	A	98.2	Very high	97	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	142.9	-179.9	0	0	0	0	0	111.5	Y79 V111 L116 R146	Y79-A148 WeakPolarHBondContact OH-CB 3.39Å; V111-A148 PolarHBondContact O-N 2.98Å; L116-A148 WeakPolarHBondContact CD1-O 3.35Å; R146-A148 VanDerWaalsContact C-N 3.26Å; R146-A148 PolarHBondContact O-N 2.91Å
149	P	97.6	Very high	96.8	Very high	31 Å²	31	55.7 Å²	55.7	20%	0.201	28%	0.275	C	S	.	.			trans	-70.9	150.5	-179.1	31.8	-36.7	0	0	0	111.4	L152 F156	P149-L152 HydrophobicContact CG-CD2 4.17Å; P149-F156 VanDerWaalsContact CD-CE2 3.47Å; P149-F156 HydrophobicContact CG-CD1 4.3Å; P149-F156 HydrophobicContact CG-CD2 3.82Å; P149-F156 HydrophobicContact CG-CE1 4.42Å; P149-F156 HydrophobicContact CG-CE2 3.96Å; P149-F156 HydrophobicContact CG-CG 4Å; P149-F156 HydrophobicContact CG-CZ 4.25Å
150	W	96.1	Very high	96.6	Very high	22 Å²	22	46.8 Å²	46.8	8%	0.083	24%	0.243	C	C	.	.	S	Bend	trans	-69.9	-33	176.7	-163.6	-98.8	0	0	0	113.4	I83 L116 Y120 K121 Y172 S174	I83-W150 HydrophobicContact CD1-CH2 4.36Å; I83-W150 HydrophobicContact CD1-CZ3 3.98Å; L116-W150 HydrophobicContact CB-CE3 4.34Å; Y120-W150 HydrophobicContact CD2-CB 4.13Å; Y120-W150 AromaticContact CD2-CD2 3.67Å; Y120-W150 HydrophobicContact CD2-CD2 3.67Å; Y120-W150 HydrophobicContact CD2-CE3 4.06Å; Y120-W150 AromaticContact CD2-CG 3.67Å; Y120-W150 HydrophobicContact CD2-CG 3.67Å; Y120-W150 HydrophobicContact CE2-CB 4.26Å; Y120-W150 HydrophobicContact CE2-CG 4.19Å; Y120-W150 AromaticContact CG-CD2 3.98Å; Y120-W150 HydrophobicContact CG-CD2 3.98Å; Y120-W150 AromaticContact CG-CE2 3.9Å; Y120-W150 HydrophobicContact CG-CG 4.17Å; Y120-W150 HydrophobicContact CG-CZ2 4.41Å; Y120-W150 AromaticContact CG-NE1 3.94Å; K121-W150 HydrophobicContact CB-CH2 3.69Å; K121-W150 HydrophobicContact CB-CZ2 4.3Å; W150-Y172 HydrophobicContact CH2-CE1 4.43Å; W150-Y172 AromaticContact CZ2-CE1 3.7Å; W150-Y172 HydrophobicContact CZ2-CE1 3.7Å; W150-S174 WeakPolarHBondContact CZ2-OG 3.47Å; W150-S174 PolarHBondContact NE1-OG 3.22Å
151	T	96.4	Very high	96.5	Very high	61 Å²	61	46.9 Å²	46.9	37%	0.374	24%	0.242	S	C	.	.	S	Bend	trans	-127.4	127.3	173.6	-56.9	0	0	0	0	107.7
152	L	96.9	Very high	96.4	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	24%	0.241	C	C	.	.			trans	-66.4	137.6	-179.7	-62.7	171.6	0	0	0	110.2	Y79 P149 F156 L157 V165 H183 I184	Y79-L152 HydrophobicContact CD1-CD1 4.23Å; Y79-L152 HydrophobicContact CD1-CD2 4.21Å; Y79-L152 HydrophobicContact CE1-CD1 4.18Å; Y79-L152 HydrophobicContact CE1-CD2 3.56Å; Y79-L152 HydrophobicContact CE1-CG 4.45Å; P149-L152 HydrophobicContact CG-CD2 4.17Å; L152-F156 HydrophobicContact CD2-CD1 3.58Å; L152-F156 HydrophobicContact CD2-CE1 3.61Å; L152-L157 HydrophobicContact CB-CD2 4.47Å; L152-L157 HydrophobicContact CD1-CD2 4.37Å; L152-V165 HydrophobicContact CD1-CG1 3.93Å; L152-V165 HydrophobicContact CD1-CG2 3.75Å; L152-H183 PolarHBondContact O-NE2 3.23Å; L152-H183 VanDerWaalsContact O-NE2 3.09Å; L152-I184 HydrophobicContact CB-CD1 4.19Å; L152-I184 HydrophobicContact CD1-CD1 4.17Å; L152-I184 HydrophobicContact CD1-CG1 4.2Å
153	T	96.1	Very high	96.4	Very high	57 Å²	57	44.4 Å²	44.4	35%	0.35	23%	0.229	S	C	.	.			trans	-112.2	154.8	176.3	81.3	0	0	0	0	110.4	E155 F156 L157	T153-E155 WeakPolarHBondContact CB-OE2 3.48Å; T153-E155 PolarHBondContact O-N 3.04Å; T153-E155 PolarHBondContact OG1-N 3.25Å; T153-E155 PolarHBondContact OG1-OE2 3.07Å; T153-F156 WeakPolarHBondContact O-CB 3.26Å; T153-F156 PolarHBondContact O-N 3.46Å; T153-F156 PolarHBondContact OG1-N 3.36Å; T153-L157 WeakPolarHBondContact O-CG 3.42Å; T153-L157 PolarHBondContact O-N 2.99Å
154	P	94.1	Very high	96.5	Very high	92 Å²	92	44.2 Å²	44.2	60%	0.597	23%	0.228	S	C	*	.	H	α-helix	trans	-53.9	-36.3	174.9	-26.8	36.2	0	0	0	113.1	L157 A158	P154-L157 PolarHBondContact O-N 3.46Å; P154-A158 WeakPolarHBondContact O-CB 3.29Å; P154-A158 PolarHBondContact O-N 2.78Å
155	E	94.2	Very high	96.5	Very high	131 Å²	131	44.2 Å²	44.2	61%	0.612	23%	0.228	S	C	*	.	H	α-helix	trans	-66.6	-41	178.2	-54.9	72.4	-154.6	0	0	111.2	T153 A158 K159	T153-E155 WeakPolarHBondContact CB-OE2 3.48Å; T153-E155 PolarHBondContact O-N 3.04Å; T153-E155 PolarHBondContact OG1-N 3.25Å; T153-E155 PolarHBondContact OG1-OE2 3.07Å; E155-A158 PolarHBondContact O-N 2.94Å; E155-K159 WeakPolarHBondContact O-CB 3.26Å; E155-K159 PolarHBondContact O-N 3.15Å
156	F	96.1	Very high	96.5	Very high	24 Å²	24	44 Å²	44	11%	0.105	23%	0.227	C	C	.	.	H	α-helix	trans	-64.5	-46.2	175.6	-177	-91.1	0	0	0	111.4	Y79 V145 P149 L152 T153 A158 K159 H160 I162	Y79-F156 HydrophobicContact CD2-CE1 4.25Å; Y79-F156 HydrophobicContact CE1-CE1 4.26Å; Y79-F156 AromaticContact CE2-CE1 3.7Å; Y79-F156 HydrophobicContact CE2-CE1 3.7Å; Y79-F156 AromaticContact CE2-CZ 3.76Å; Y79-F156 HydrophobicContact CE2-CZ 3.76Å; Y79-F156 AromaticContact CZ-CE1 3.69Å; Y79-F156 AromaticContact CZ-CZ 3.88Å; V145-F156 HydrophobicContact CG1-CE2 4.04Å; V145-F156 HydrophobicContact CG1-CZ 4.01Å; P149-F156 VanDerWaalsContact CD-CE2 3.47Å; P149-F156 HydrophobicContact CG-CD1 4.3Å; P149-F156 HydrophobicContact CG-CD2 3.82Å; P149-F156 HydrophobicContact CG-CE1 4.42Å; P149-F156 HydrophobicContact CG-CE2 3.96Å; P149-F156 HydrophobicContact CG-CG 4Å; P149-F156 HydrophobicContact CG-CZ 4.25Å; L152-F156 HydrophobicContact CD2-CD1 3.58Å; L152-F156 HydrophobicContact CD2-CE1 3.61Å; T153-F156 WeakPolarHBondContact O-CB 3.26Å; T153-F156 PolarHBondContact O-N 3.46Å; T153-F156 PolarHBondContact OG1-N 3.36Å; F156-A158 VanDerWaalsContact C-N 3.31Å; F156-A158 PolarHBondContact O-N 3.46Å; F156-K159 PolarHBondContact O-N 2.84Å; F156-H160 AromaticContact CD2-CD2 3.72Å; F156-H160 AromaticContact CD2-NE2 3.96Å; F156-H160 AromaticContact CE2-CD2 3.48Å; F156-H160 VanDerWaalsContact CE2-CD2 3.48Å; F156-H160 WeakPolarHBondContact CE2-CD2 3.33Å; F156-H160 AromaticContact CE2-NE2 3.51Å; F156-H160 AromaticContact CZ-CD2 3.65Å; F156-H160 AromaticContact CZ-NE2 3.98Å; F156-H160 PolarHBondContact O-CD2 3.21Å; F156-H160 PolarHBondContact O-N 3.07Å; F156-I162 HydrophobicContact CD1-CD1 3.96Å; F156-I162 HydrophobicContact CE1-CD1 3.68Å
157	L	95.8	Very high	96.5	Very high	18 Å²	18	41.1 Å²	41.1	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-42.7	177.1	-64.3	172.3	0	0	0	111.6	L152 T153 P154 R161 I162 V165 I184 M189	L152-L157 HydrophobicContact CB-CD2 4.47Å; L152-L157 HydrophobicContact CD1-CD2 4.37Å; T153-L157 WeakPolarHBondContact O-CG 3.42Å; T153-L157 PolarHBondContact O-N 2.99Å; P154-L157 PolarHBondContact O-N 3.46Å; L157-R161 WeakPolarHBondContact O-CA 3.5Å; L157-R161 PolarHBondContact O-N 3.05Å; L157-I162 HydrophobicContact CD2-CB 3.92Å; L157-I162 HydrophobicContact CD2-CD1 3.97Å; L157-I162 HydrophobicContact CD2-CG2 3.9Å; L157-I162 PolarHBondContact O-N 3.49Å; L157-V165 HydrophobicContact CD2-CG2 4.26Å; L157-I184 HydrophobicContact CD1-CD1 3.84Å; L157-I184 HydrophobicContact CD2-CD1 4.48Å; L157-M189 HydrophobicContact CD1-CE 4Å; L157-M189 HydrophobicContact CD1-SD 4.38Å; L157-M189 HydrophobicContact CD2-CE 4.14Å
158	A	93.3	Very high	96.4	Very high	49 Å²	49	37 Å²	37	41%	0.405	20%	0.195	S	C	.	.	H	α-helix	trans	-68.9	-44.3	177.5	0	0	0	0	0	112.4	P154 E155 F156 H160 R161	P154-A158 WeakPolarHBondContact O-CB 3.29Å; P154-A158 PolarHBondContact O-N 2.78Å; E155-A158 PolarHBondContact O-N 2.94Å; F156-A158 VanDerWaalsContact C-N 3.31Å; F156-A158 PolarHBondContact O-N 3.46Å; A158-H160 PolarHBondContact O-N 3.23Å; A158-R161 PolarHBondContact O-N 3.41Å
159	K	93	Very high	96.3	Very high	160 Å²	160	41.4 Å²	41.4	70%	0.696	22%	0.219	S	C	*	.	H	α-helix	trans	-57.4	-46.9	179.1	-179.8	-175.4	176.1	-171.3	0	111.7	E155 F156	E155-K159 WeakPolarHBondContact O-CB 3.26Å; E155-K159 PolarHBondContact O-N 3.15Å; F156-K159 PolarHBondContact O-N 2.84Å
160	H	94.9	Very high	96.1	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.079	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.2	-178.6	-68.2	-79.5	0	0	0	113.7	R77 I108 E143 F156 A158 I162	R77-H160 PolarHBondContact NE-O 3.09Å; R77-H160 PolarHBondContact NH2-O 3.5Å; I108-H160 HydrophobicContact CD1-CB 4.42Å; E143-H160 IonicContact OE1-ND1 2.74Å; F156-H160 AromaticContact CD2-CD2 3.72Å; F156-H160 AromaticContact CD2-NE2 3.96Å; F156-H160 AromaticContact CE2-CD2 3.48Å; F156-H160 VanDerWaalsContact CE2-CD2 3.48Å; F156-H160 WeakPolarHBondContact CE2-CD2 3.33Å; F156-H160 AromaticContact CE2-NE2 3.51Å; F156-H160 AromaticContact CZ-CD2 3.65Å; F156-H160 AromaticContact CZ-NE2 3.98Å; F156-H160 PolarHBondContact O-CD2 3.21Å; F156-H160 PolarHBondContact O-N 3.07Å; A158-H160 PolarHBondContact O-N 3.23Å; H160-I162 HydrophobicContact CB-CD1 3.78Å; H160-I162 HydrophobicContact CB-CG1 3.76Å; H160-I162 PolarHBondContact O-N 3.43Å
161	R	95.4	Very high	95.9	Very high	57 Å²	57	47.7 Å²	47.7	22%	0.215	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	49.3	-179.9	-62.5	-171.5	169.3	-162.1	-6.3	112.9	A53 D54 K56 Y58 R77 L157 A158	A53-R161 VanDerWaalsContact CB-CZ 3.47Å; D54-R161 PolarHBondContact O-NH2 2.74Å; K56-R161 PolarHBondContact O-NH2 3.21Å; Y58-R161 HydrophobicContact CD2-CB 3.5Å; Y58-R161 VanDerWaalsContact CD2-CB 3.5Å; Y58-R161 HydrophobicContact CD2-CG 3.57Å; Y58-R161 VanDerWaalsContact CE2-C 3.47Å; Y58-R161 VanDerWaalsContact CE2-CA 3.45Å; Y58-R161 HydrophobicContact CE2-CB 3.45Å; Y58-R161 VanDerWaalsContact CE2-CB 3.45Å; Y58-R161 HydrophobicContact CE2-CG 4.08Å; Y58-R161 WeakPolarHBondContact CE2-O 3.38Å; Y58-R161 HydrophobicContact CG-CB 4.17Å; Y58-R161 HydrophobicContact CG-CG 3.98Å; Y58-R161 VanDerWaalsContact CZ-CA 3.48Å; Y58-R161 PolarHBondContact OH-O 2.96Å; R77-R161 WeakPolarHBondContact CB-O 3.36Å; R77-R161 VanDerWaalsContact CD-O 3.3Å; R77-R161 WeakPolarHBondContact CD-O 3.31Å; L157-R161 WeakPolarHBondContact O-CA 3.5Å; L157-R161 PolarHBondContact O-N 3.05Å; A158-R161 PolarHBondContact O-N 3.41Å
162	I	97.4	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.			trans	-83.3	114.6	-171.9	-64.2	170.4	0	0	0	111.2	Y58 Y79 I108 F156 L157 H160 F164 V165 M189	Y58-I162 PolarHBondContact OH-N 3.22Å; Y58-I162 PolarHBondContact OH-O 3.48Å; Y79-I162 HydrophobicContact CD1-CD1 4.32Å; Y79-I162 HydrophobicContact CD2-CD1 3.73Å; Y79-I162 HydrophobicContact CE2-CD1 4.46Å; Y79-I162 HydrophobicContact CG-CD1 3.63Å; Y79-I162 HydrophobicContact CG-CG1 4.4Å; I108-I162 HydrophobicContact CD1-CG1 4.27Å; F156-I162 HydrophobicContact CD1-CD1 3.96Å; F156-I162 HydrophobicContact CE1-CD1 3.68Å; L157-I162 HydrophobicContact CD2-CB 3.92Å; L157-I162 HydrophobicContact CD2-CD1 3.97Å; L157-I162 HydrophobicContact CD2-CG2 3.9Å; L157-I162 PolarHBondContact O-N 3.49Å; H160-I162 HydrophobicContact CB-CD1 3.78Å; H160-I162 HydrophobicContact CB-CG1 3.76Å; H160-I162 PolarHBondContact O-N 3.43Å; I162-F164 WeakPolarHBondContact CG2-O 3.39Å; I162-V165 HydrophobicContact CG2-CG2 4.03Å; I162-M189 WeakPolarHBondContact O-CE 3.4Å
163	D	98.3	Very high	95.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-80.2	-45.3	179.6	-62.8	-50.4	0	0	0	110.6	Y58 R60 V61 R74 V76 R77	Y58-D163 VanDerWaalsContact OH-CA 3.24Å; Y58-D163 WeakPolarHBondContact OH-CA 3.26Å; Y58-D163 PolarHBondContact OH-N 2.75Å; Y58-D163 PolarHBondContact OH-OD1 3.16Å; R60-D163 WeakPolarHBondContact CA-OD1 3.34Å; V61-D163 PolarHBondContact N-OD1 2.95Å; R74-D163 IonicContact CZ-OD1 2.78Å; R74-D163 IonicContact CZ-OD2 3.72Å; R74-D163 IonicContact NH1-OD1 3.81Å; R74-D163 IonicContact NH1-OD2 3.81Å; R74-D163 PolarHBondContact NH1-OD2 2.75Å; R74-D163 IonicContact NH2-OD1 3.7Å; R74-D163 PolarHBondContact NH2-OD1 2.99Å; R74-D163 IonicContact NH2-OD2 2.75Å; R74-D163 PolarHBondContact NH2-OD2 2.81Å; V76-D163 HydrophobicContact CG1-CB 3.93Å; R77-D163 PolarHBondContact N-OD2 3.14Å; R77-D163 WeakPolarHBondContact O-CB 3.24Å; R77-D163 PolarHBondContact O-N 2.74Å
164	F	98.6	Very high	94.8	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	152.6	-179.1	-62.3	-81.5	0	0	0	111.8	M63 A66 V76 R77 V78 Y79 F102 I162 M189	M63-F164 HydrophobicContact CB-CE1 4.29Å; M63-F164 HydrophobicContact CB-CZ 4.22Å; M63-F164 HydrophobicContact CE-CD1 4.18Å; M63-F164 HydrophobicContact CE-CE1 3.86Å; M63-F164 HydrophobicContact SD-CE1 4.15Å; M63-F164 HydrophobicContact SD-CZ 4.34Å; A66-F164 HydrophobicContact CB-CE2 3.8Å; A66-F164 HydrophobicContact CB-CZ 4.31Å; V76-F164 HydrophobicContact CG1-CD2 3.65Å; V76-F164 HydrophobicContact CG1-CE2 3.87Å; R77-F164 PolarHBondContact O-N 3.01Å; V78-F164 CarbonylContact C-O 3.49Å; V78-F164 WeakPolarHBondContact CA-O 3.38Å; Y79-F164 PolarHBondContact N-O 2.93Å; F102-F164 HydrophobicContact CE1-CE2 4.33Å; F102-F164 HydrophobicContact CE2-CB 4.38Å; F102-F164 AromaticContact CE2-CD2 3.43Å; F102-F164 HydrophobicContact CE2-CD2 3.43Å; F102-F164 VanDerWaalsContact CE2-CD2 3.43Å; F102-F164 AromaticContact CE2-CE2 3.92Å; F102-F164 HydrophobicContact CE2-CE2 3.92Å; F102-F164 AromaticContact CE2-CG 3.99Å; F102-F164 HydrophobicContact CE2-CG 3.99Å; F102-F164 HydrophobicContact CZ-CD1 4.39Å; F102-F164 AromaticContact CZ-CD2 3.47Å; F102-F164 HydrophobicContact CZ-CD2 3.47Å; F102-F164 VanDerWaalsContact CZ-CD2 3.47Å; F102-F164 HydrophobicContact CZ-CE1 4.48Å; F102-F164 AromaticContact CZ-CE2 3.58Å; F102-F164 HydrophobicContact CZ-CE2 3.58Å; F102-F164 AromaticContact CZ-CG 3.91Å; F102-F164 HydrophobicContact CZ-CG 3.91Å; F102-F164 HydrophobicContact CZ-CZ 4.11Å; I162-F164 WeakPolarHBondContact CG2-O 3.39Å; F164-M189 CarbonylContact C-O 3.5Å; F164-M189 VanDerWaalsContact CA-O 3.26Å; F164-M189 WeakPolarHBondContact CA-O 3.41Å
165	V	98.8	Very high	93.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.6	175.4	177.3	0	0	0	0	109.1	Y79 L152 L157 I162 Y181 I184 M189 F190 A191	Y79-V165 HydrophobicContact CD1-CG1 4.38Å; Y79-V165 CarbonylContact O-C 3.51Å; Y79-V165 VanDerWaalsContact O-CA 3.27Å; Y79-V165 WeakPolarHBondContact O-CA 3.43Å; L152-V165 HydrophobicContact CD1-CG1 3.93Å; L152-V165 HydrophobicContact CD1-CG2 3.75Å; L157-V165 HydrophobicContact CD2-CG2 4.26Å; I162-V165 HydrophobicContact CG2-CG2 4.03Å; V165-Y181 HydrophobicContact CG1-CD1 4.28Å; V165-Y181 HydrophobicContact CG1-CE1 4.17Å; V165-I184 HydrophobicContact CB-CG2 3.69Å; V165-I184 HydrophobicContact CG1-CG2 4.33Å; V165-I184 HydrophobicContact CG2-CG2 3.72Å; V165-M189 PolarHBondContact N-O 3.37Å; V165-F190 CarbonylContact O-C 3.54Å; V165-F190 WeakPolarHBondContact O-CA 3.44Å; V165-A191 PolarHBondContact O-N 2.87Å
166	A	98.7	Very high	93.1	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.025	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.6	-177.5	0	0	0	0	0	111.7	V78 Y79 A80 A98 L101 A191 T193	V78-A166 HydrophobicContact CG1-CB 3.74Å; Y79-A166 PolarHBondContact O-N 3.29Å; A80-A166 WeakPolarHBondContact CA-O 3.31Å; A80-A166 HydrophobicContact CB-CB 4.46Å; A80-A166 WeakPolarHBondContact CB-O 3.23Å; A98-A166 HydrophobicContact CB-CB 3.66Å; L101-A166 HydrophobicContact CD1-CB 3.99Å; A166-A191 VanDerWaalsContact CA-O 3.29Å; A166-A191 WeakPolarHBondContact CA-O 3.39Å; A166-T193 HydrophobicContact CB-CG2 4.1Å
167	H	98.5	Very high	92.6	Very high	31 Å²	31	47 Å²	47	14%	0.144	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	170.8	174	-170.4	-85.5	0	0	0	109.2	Y181 F190 P192 T193	H167-Y181 HydrophobicContact CB-CE1 4.46Å; H167-Y181 HydrophobicContact CB-CE2 4.28Å; H167-Y181 PolarHBondContact CD2-OH 3.13Å; H167-Y181 AromaticContact CG-CE2 3.88Å; H167-Y181 AromaticContact CG-CZ 3.87Å; H167-Y181 AromaticContact ND1-CE2 3.9Å; H167-F190 HydrophobicContact CB-CE2 3.94Å; H167-F190 HydrophobicContact CB-CZ 3.93Å; H167-P192 CarbonylContact O-C 3.59Å; H167-P192 WeakPolarHBondContact O-CA 3.25Å; H167-T193 VanDerWaalsContact C-OG1 3.22Å; H167-T193 PolarHBondContact O-N 3.01Å; H167-T193 PolarHBondContact O-OG1 3.19Å
168	D	96.4	Very high	92.4	Very high	14 Å²	14	53 Å²	53	8%	0.075	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	152.1	169	73	59.5	0	0	0	112	I170 F190 T193 R195	D168-I170 PolarHBondContact O-N 3.49Å; D168-I170 WeakPolarHBondContact OD1-CB 3.38Å; D168-I170 PolarHBondContact OD1-N 3.41Å; D168-F190 WeakPolarHBondContact O-CZ 3.48Å; D168-T193 WeakPolarHBondContact CA-O 3.39Å; D168-T193 PolarHBondContact N-OG1 3.39Å; D168-R195 HydrophobicContact CB-CG 3.8Å; D168-R195 WeakPolarHBondContact OD2-CD 3.49Å; D168-R195 IonicContact OD2-CZ 2.75Å; D168-R195 IonicContact OD2-NH1 3.79Å; D168-R195 PolarHBondContact OD2-NH1 2.87Å
169	D	95.3	Very high	92.5	Very high	94 Å²	94	51.6 Å²	51.6	50%	0.503	30%	0.303	S	S	.	.	S	Bend	trans	-79.6	-1.6	-171.4	-161	32.2	0	0	0	114.2	K185 P192	D169-K185 PolarHBondContact O-NZ 3.16Å; D169-K185 IonicContact OD1-NZ 3.32Å; D169-P192 HydrophobicContact CB-CB 3.92Å
170	I	93.1	Very high	92.5	Very high	101 Å²	101	44.2 Å²	44.2	52%	0.518	27%	0.272	S	S	.	.	S	Bend	trans	-68.5	129.5	-180	-55.9	175.3	0	0	0	108	D168 Y172	D168-I170 PolarHBondContact O-N 3.49Å; D168-I170 WeakPolarHBondContact OD1-CB 3.38Å; D168-I170 PolarHBondContact OD1-N 3.41Å; I170-Y172 PolarHBondContact O-N 2.85Å
171	P	93.4	Very high	92.6	Very high	84 Å²	84	44 Å²	44	55%	0.545	27%	0.271	S	S	.	.			trans	-52.4	123.9	174.8	-28.6	36.2	0	0	0	111.3	S173 D179	P171-S173 PolarHBondContact O-N 3.25Å; P171-D179 HydrophobicContact CB-CB 4.12Å
172	Y	90.9	Very high	92.7	Very high	59 Å²	59	47 Å²	47	23%	0.231	29%	0.285	C	S	.	.			trans	-96.1	89.3	-177.7	-165.3	-79.9	0	0	0	109.6	W150 I170 S174 D179 V180 Y181	W150-Y172 HydrophobicContact CH2-CE1 4.43Å; W150-Y172 AromaticContact CZ2-CE1 3.7Å; W150-Y172 HydrophobicContact CZ2-CE1 3.7Å; I170-Y172 PolarHBondContact O-N 2.85Å; Y172-S174 PolarHBondContact O-N 3.33Å; Y172-D179 PolarHBondContact N-OD1 3.03Å; Y172-D179 WeakPolarHBondContact O-CA 3.45Å; Y172-V180 HydrophobicContact CD1-CG1 4.49Å; Y172-V180 HydrophobicContact CD1-CG2 3.84Å; Y172-V180 HydrophobicContact CG-CG2 4.26Å; Y172-V180 PolarHBondContact O-N 3.4Å; Y172-V180 VanDerWaalsContact O-N 3.07Å; Y172-Y181 HydrophobicContact CG-CE2 4.33Å
173	S	89.9	Confident	92.6	Very high	84 Å²	84	50.3 Å²	50.3	59%	0.587	30%	0.3	S	S	*	.			trans	-79.3	116	-179.1	55.6	0	0	0	0	111.3	P171 S177 D178	P171-S173 PolarHBondContact O-N 3.25Å; S173-S177 WeakPolarHBondContact CA-O 3.48Å; S173-D178 WeakPolarHBondContact CA-O 3.23Å; S173-D178 WeakPolarHBondContact CB-O 3.4Å; S173-D178 PolarHBondContact N-O 2.95Å
174	S	84.9	Confident	92.6	Very high	16 Å²	16	50.3 Å²	50.3	11%	0.112	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-165.4	161.4	177.2	-173.2	0	0	0	0	110.8	Y120 W150 Y172 G176 S177	Y120-S174 PolarHBondContact O-OG 3.49Å; W150-S174 WeakPolarHBondContact CZ2-OG 3.47Å; W150-S174 PolarHBondContact NE1-OG 3.22Å; Y172-S174 PolarHBondContact O-N 3.33Å; S174-G176 PolarHBondContact O-N 2.98Å; S174-G176 VanDerWaalsContact O-N 3.08Å; S174-S177 PolarHBondContact N-O 2.88Å; S174-S177 VanDerWaalsContact N-O 3.07Å; S174-S177 PolarHBondContact O-N 3.47Å
175	A	72.4	Confident	92.5	Very high	59 Å²	59	53 Å²	53	49%	0.488	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	29.6	173.9	0	0	0	0	0	115.3	Y120 S177	Y120-A175 HydrophobicContact CD1-CB 3.62Å; Y120-A175 HydrophobicContact CE1-CB 3.55Å; Y120-A175 HydrophobicContact CG-CB 4.39Å; A175-S177 VanDerWaalsContact C-N 3.32Å
176	G	79.6	Confident	92.4	Very high	90 Å²	90	59.6 Å²	59.6	93%	0.928	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	9.7	-177.8	0	0	0	0	0	114.7	S174	S174-G176 PolarHBondContact O-N 2.98Å; S174-G176 VanDerWaalsContact O-N 3.08Å
177	S	86.9	Confident	92.3	Very high	49 Å²	49	61.7 Å²	61.7	34%	0.343	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-105.7	140.8	168.5	-174.3	0	0	0	0	110.7	S173 S174 A175 D179	S173-S177 WeakPolarHBondContact CA-O 3.48Å; S174-S177 PolarHBondContact N-O 2.88Å; S174-S177 VanDerWaalsContact N-O 3.07Å; S174-S177 PolarHBondContact O-N 3.47Å; A175-S177 VanDerWaalsContact C-N 3.32Å; S177-D179 VanDerWaalsContact C-N 3.32Å; S177-D179 VanDerWaalsContact OG-C 3.27Å; S177-D179 PolarHBondContact OG-N 3.1Å; S177-D179 PolarHBondContact OG-O 3.32Å; S177-D179 VanDerWaalsContact OG-O 3.07Å
178	D	91	Very high	92.2	Very high	145 Å²	145	62.6 Å²	62.6	78%	0.775	38%	0.377	S	S	*	.	S	Bend	trans	-70.1	-31.1	171.8	-65	-28.9	0	0	0	111.8	S173	S173-D178 WeakPolarHBondContact CA-O 3.23Å; S173-D178 WeakPolarHBondContact CB-O 3.4Å; S173-D178 PolarHBondContact N-O 2.95Å
179	D	94.4	Very high	92.2	Very high	18 Å²	18	62.3 Å²	62.3	10%	0.096	38%	0.376	C	S	.	.			trans	-152.8	112	174.7	-175.3	4.9	0	0	0	109.9	P171 Y172 S177 Y181 K182 K185	P171-D179 HydrophobicContact CB-CB 4.12Å; Y172-D179 PolarHBondContact N-OD1 3.03Å; Y172-D179 WeakPolarHBondContact O-CA 3.45Å; S177-D179 VanDerWaalsContact C-N 3.32Å; S177-D179 VanDerWaalsContact OG-C 3.27Å; S177-D179 PolarHBondContact OG-N 3.1Å; S177-D179 PolarHBondContact OG-O 3.32Å; S177-D179 VanDerWaalsContact OG-O 3.07Å; D179-Y181 PolarHBondContact O-N 3.1Å; D179-Y181 PolarHBondContact OD1-N 3.28Å; D179-K182 HydrophobicContact CB-CB 4.2Å; D179-K182 VanDerWaalsContact O-CB 3.31Å; D179-K182 WeakPolarHBondContact O-CB 3.2Å; D179-K182 PolarHBondContact O-N 3.26Å; D179-K182 VanDerWaalsContact O-N 3.15Å; D179-K185 WeakPolarHBondContact OD2-CE 3.32Å; D179-K185 IonicContact OD2-NZ 3.33Å; D179-K185 PolarHBondContact OD2-NZ 3.14Å
180	V	94.7	Very high	92.4	Very high	6 Å²	6	58.8 Å²	58.8	4%	0.036	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.8	177.9	-58.4	0	0	0	0	112.6	Y172 H183	Y172-V180 HydrophobicContact CD1-CG1 4.49Å; Y172-V180 HydrophobicContact CD1-CG2 3.84Å; Y172-V180 HydrophobicContact CG-CG2 4.26Å; Y172-V180 PolarHBondContact O-N 3.4Å; Y172-V180 VanDerWaalsContact O-N 3.07Å; V180-H183 PolarHBondContact O-CE1 3.01Å; V180-H183 PolarHBondContact O-ND1 3.32Å
181	Y	96.9	Very high	92.6	Very high	13 Å²	13	54.2 Å²	54.2	5%	0.051	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.8	178.1	-59.9	-73.5	0	0	0	113.8	D81 V165 H167 Y172 D179 H183 I184 K185 F190	D81-Y181 PolarHBondContact OD1-OH 3.49Å; D81-Y181 PolarHBondContact OD2-OH 3.12Å; V165-Y181 HydrophobicContact CG1-CD1 4.28Å; V165-Y181 HydrophobicContact CG1-CE1 4.17Å; H167-Y181 HydrophobicContact CB-CE1 4.46Å; H167-Y181 HydrophobicContact CB-CE2 4.28Å; H167-Y181 PolarHBondContact CD2-OH 3.13Å; H167-Y181 AromaticContact CG-CE2 3.88Å; H167-Y181 AromaticContact CG-CZ 3.87Å; H167-Y181 AromaticContact ND1-CE2 3.9Å; Y172-Y181 HydrophobicContact CG-CE2 4.33Å; D179-Y181 PolarHBondContact O-N 3.1Å; D179-Y181 PolarHBondContact OD1-N 3.28Å; Y181-H183 VanDerWaalsContact C-N 3.34Å; Y181-H183 PolarHBondContact O-N 2.97Å; Y181-I184 WeakPolarHBondContact O-CA 3.32Å; Y181-I184 WeakPolarHBondContact O-CB 3.41Å; Y181-I184 PolarHBondContact O-N 3.35Å; Y181-K185 PolarHBondContact O-N 2.8Å; Y181-F190 HydrophobicContact CD1-CD2 4.42Å; Y181-F190 AromaticContact CD1-CE2 3.96Å; Y181-F190 HydrophobicContact CD1-CE2 3.96Å; Y181-F190 HydrophobicContact CD2-CE2 4.32Å; Y181-F190 HydrophobicContact CG-CD2 4.4Å; Y181-F190 AromaticContact CG-CE2 3.79Å; Y181-F190 HydrophobicContact CG-CE2 3.79Å
182	K	96.6	Very high	92.8	Very high	118 Å²	118	53.5 Å²	53.5	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-51.5	-50.2	-176.3	-178.5	174.6	175.1	178.7	0	113	D179 I184 K185 E186	D179-K182 HydrophobicContact CB-CB 4.2Å; D179-K182 VanDerWaalsContact O-CB 3.31Å; D179-K182 WeakPolarHBondContact O-CB 3.2Å; D179-K182 PolarHBondContact O-N 3.26Å; D179-K182 VanDerWaalsContact O-N 3.15Å; K182-I184 VanDerWaalsContact C-N 3.27Å; K182-I184 PolarHBondContact O-N 3.44Å; K182-K185 WeakPolarHBondContact O-CB 3.13Å; K182-K185 PolarHBondContact O-N 3.27Å; K182-E186 WeakPolarHBondContact CE-OE1 3.48Å; K182-E186 WeakPolarHBondContact CG-OE1 3.5Å; K182-E186 WeakPolarHBondContact O-CG 3.32Å; K182-E186 PolarHBondContact O-N 2.95Å
183	H	96.1	Very high	93.2	Very high	70 Å²	70	51.1 Å²	51.1	32%	0.324	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-29.6	-179.8	68.5	-78.7	0	0	0	112.9	L152 V180 Y181 A187	L152-H183 PolarHBondContact O-NE2 3.23Å; L152-H183 VanDerWaalsContact O-NE2 3.09Å; V180-H183 PolarHBondContact O-CE1 3.01Å; V180-H183 PolarHBondContact O-ND1 3.32Å; Y181-H183 VanDerWaalsContact C-N 3.34Å; Y181-H183 PolarHBondContact O-N 2.97Å; H183-A187 VanDerWaalsContact O-CB 3.31Å; H183-A187 WeakPolarHBondContact O-CB 3.48Å; H183-A187 PolarHBondContact O-N 2.98Å; H183-A187 VanDerWaalsContact O-N 3.09Å
184	I	97.7	Very high	93.6	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-72.6	-40.5	174.9	-56.5	-60.5	0	0	0	110.8	L152 L157 V165 Y181 K182 A187 G188 M189 F190	L152-I184 HydrophobicContact CB-CD1 4.19Å; L152-I184 HydrophobicContact CD1-CD1 4.17Å; L152-I184 HydrophobicContact CD1-CG1 4.2Å; L157-I184 HydrophobicContact CD1-CD1 3.84Å; L157-I184 HydrophobicContact CD2-CD1 4.48Å; V165-I184 HydrophobicContact CB-CG2 3.69Å; V165-I184 HydrophobicContact CG1-CG2 4.33Å; V165-I184 HydrophobicContact CG2-CG2 3.72Å; Y181-I184 WeakPolarHBondContact O-CA 3.32Å; Y181-I184 WeakPolarHBondContact O-CB 3.41Å; Y181-I184 PolarHBondContact O-N 3.35Å; K182-I184 VanDerWaalsContact C-N 3.27Å; K182-I184 PolarHBondContact O-N 3.44Å; I184-A187 PolarHBondContact O-N 3.32Å; I184-G188 PolarHBondContact O-N 3.18Å; I184-M189 HydrophobicContact CG2-CB 3.72Å; I184-M189 WeakPolarHBondContact O-CB 3.37Å; I184-M189 PolarHBondContact O-N 3.39Å; I184-F190 HydrophobicContact CG2-CB 4.12Å; I184-F190 HydrophobicContact CG2-CD2 4.12Å
185	K	97.1	Very high	94.1	Very high	57 Å²	57	60 Å²	60	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-47.9	174.4	-69.6	173.4	177.2	175.3	0	110.8	D169 D179 Y181 K182 A187 G188 F190	D169-K185 PolarHBondContact O-NZ 3.16Å; D169-K185 IonicContact OD1-NZ 3.32Å; D179-K185 WeakPolarHBondContact OD2-CE 3.32Å; D179-K185 IonicContact OD2-NZ 3.33Å; D179-K185 PolarHBondContact OD2-NZ 3.14Å; Y181-K185 PolarHBondContact O-N 2.8Å; K182-K185 WeakPolarHBondContact O-CB 3.13Å; K182-K185 PolarHBondContact O-N 3.27Å; K185-A187 VanDerWaalsContact C-N 3.28Å; K185-A187 PolarHBondContact O-N 3.08Å; K185-G188 PolarHBondContact O-N 2.93Å; K185-F190 HydrophobicContact CB-CB 4.28Å; K185-F190 HydrophobicContact CD-CD1 4.43Å; K185-F190 HydrophobicContact CG-CB 3.62Å; K185-F190 HydrophobicContact CG-CD1 3.86Å; K185-F190 HydrophobicContact CG-CD2 4.11Å; K185-F190 HydrophobicContact CG-CG 3.6Å
186	E	96.6	Very high	95.2	Very high	140 Å²	140	58.5 Å²	58.5	65%	0.654	33%	0.329	S	S	*	.	H	α-helix	trans	-60.9	-34.4	177	-72.2	171.2	177.2	0	0	112.6	K182 G188	K182-E186 WeakPolarHBondContact CE-OE1 3.48Å; K182-E186 WeakPolarHBondContact CG-OE1 3.5Å; K182-E186 WeakPolarHBondContact O-CG 3.32Å; K182-E186 PolarHBondContact O-N 2.95Å; E186-G188 PolarHBondContact O-N 3.21Å
187	A	95.7	Very high	95.9	Very high	47 Å²	47	63.2 Å²	63.2	39%	0.388	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	1.4	176.2	0	0	0	0	0	114.5	R60 H183 I184 K185 M189	R60-A187 PolarHBondContact NH2-O 3.28Å; H183-A187 VanDerWaalsContact O-CB 3.31Å; H183-A187 WeakPolarHBondContact O-CB 3.48Å; H183-A187 PolarHBondContact O-N 2.98Å; H183-A187 VanDerWaalsContact O-N 3.09Å; I184-A187 PolarHBondContact O-N 3.32Å; K185-A187 VanDerWaalsContact C-N 3.28Å; K185-A187 PolarHBondContact O-N 3.08Å; A187-M189 HydrophobicContact CB-CG 4.06Å; A187-M189 HydrophobicContact CB-SD 4.06Å; A187-M189 PolarHBondContact O-N 3.12Å
188	G	96.6	Very high	96.2	Very high	49 Å²	49	64 Å²	64	51%	0.505	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	22	-176.5	0	0	0	0	0	113.6	I184 K185 E186	I184-G188 PolarHBondContact O-N 3.18Å; K185-G188 PolarHBondContact O-N 2.93Å; E186-G188 PolarHBondContact O-N 3.21Å
189	M	97.4	Very high	96.3	Very high	8 Å²	8	59 Å²	59	4%	0.039	32%	0.315	C	S	.	.			trans	-96.3	-14.1	-176.3	-73.9	179.6	70.9	0	0	113.3	L157 I162 F164 V165 I184 A187	L157-M189 HydrophobicContact CD1-CE 4Å; L157-M189 HydrophobicContact CD1-SD 4.38Å; L157-M189 HydrophobicContact CD2-CE 4.14Å; I162-M189 WeakPolarHBondContact O-CE 3.4Å; F164-M189 CarbonylContact C-O 3.5Å; F164-M189 VanDerWaalsContact CA-O 3.26Å; F164-M189 WeakPolarHBondContact CA-O 3.41Å; V165-M189 PolarHBondContact N-O 3.37Å; I184-M189 HydrophobicContact CG2-CB 3.72Å; I184-M189 WeakPolarHBondContact O-CB 3.37Å; I184-M189 PolarHBondContact O-N 3.39Å; A187-M189 HydrophobicContact CB-CG 4.06Å; A187-M189 HydrophobicContact CB-SD 4.06Å; A187-M189 PolarHBondContact O-N 3.12Å
190	F	98.4	Very high	96.3	Very high	21 Å²	21	59.9 Å²	59.9	9%	0.092	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.2	-173.1	-163.6	-101.4	0	0	0	111.9	V165 H167 D168 Y181 I184 K185 P192	V165-F190 CarbonylContact O-C 3.54Å; V165-F190 WeakPolarHBondContact O-CA 3.44Å; H167-F190 HydrophobicContact CB-CE2 3.94Å; H167-F190 HydrophobicContact CB-CZ 3.93Å; D168-F190 WeakPolarHBondContact O-CZ 3.48Å; Y181-F190 HydrophobicContact CD1-CD2 4.42Å; Y181-F190 AromaticContact CD1-CE2 3.96Å; Y181-F190 HydrophobicContact CD1-CE2 3.96Å; Y181-F190 HydrophobicContact CD2-CE2 4.32Å; Y181-F190 HydrophobicContact CG-CD2 4.4Å; Y181-F190 AromaticContact CG-CE2 3.79Å; Y181-F190 HydrophobicContact CG-CE2 3.79Å; I184-F190 HydrophobicContact CG2-CB 4.12Å; I184-F190 HydrophobicContact CG2-CD2 4.12Å; K185-F190 HydrophobicContact CB-CB 4.28Å; K185-F190 HydrophobicContact CD-CD1 4.43Å; K185-F190 HydrophobicContact CG-CB 3.62Å; K185-F190 HydrophobicContact CG-CD1 3.86Å; K185-F190 HydrophobicContact CG-CD2 4.11Å; K185-F190 HydrophobicContact CG-CG 3.6Å; F190-P192 HydrophobicContact CD1-CB 4.48Å; F190-P192 HydrophobicContact CE1-CB 4.12Å
191	A	97.9	Very high	96.2	Very high	5 Å²	5	60.7 Å²	60.7	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	98.8	178.2	0	0	0	0	0	109.6	L101 V165 A166	L101-A191 HydrophobicContact CD1-CB 3.52Å; L101-A191 HydrophobicContact CD2-CB 4.2Å; V165-A191 PolarHBondContact O-N 2.87Å; A166-A191 VanDerWaalsContact CA-O 3.29Å; A166-A191 WeakPolarHBondContact CA-O 3.39Å
192	P	97.9	Very high	95.7	Very high	68 Å²	68	62.6 Å²	62.6	44%	0.442	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.9	-171.4	27.1	-34.4	0	0	0	112.2	H167 D169 F190	H167-P192 CarbonylContact O-C 3.59Å; H167-P192 WeakPolarHBondContact O-CA 3.25Å; D169-P192 HydrophobicContact CB-CB 3.92Å; F190-P192 HydrophobicContact CD1-CB 4.48Å; F190-P192 HydrophobicContact CE1-CB 4.12Å
193	T	98	Very high	95.4	Very high	9 Å²	9	59.1 Å²	59.1	6%	0.055	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	164.3	171.8	63.7	0	0	0	0	111	Q97 A166 H167 D168	Q97-T193 HydrophobicContact CB-CG2 4.02Å; A166-T193 HydrophobicContact CB-CG2 4.1Å; H167-T193 VanDerWaalsContact C-OG1 3.22Å; H167-T193 PolarHBondContact O-N 3.01Å; H167-T193 PolarHBondContact O-OG1 3.19Å; D168-T193 WeakPolarHBondContact CA-O 3.39Å; D168-T193 PolarHBondContact N-OG1 3.39Å
194	Q	97.9	Very high	95.2	Very high	129 Å²	129	57.5 Å²	57.5	60%	0.603	32%	0.323	S	S	*	.			trans	-104.3	133.6	179.5	-59.2	-57.4	-43.3	0	0	111.2	Q97	Q97-Q194 PolarHBondContact NE2-O 3.28Å
195	R	96.4	Very high	94.7	Very high	158 Å²	158	58 Å²	58	60%	0.596	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-68.8	149.1	173.7	-62.5	178.5	68.9	93.6	-2	109.9	D168	D168-R195 HydrophobicContact CB-CG 3.8Å; D168-R195 WeakPolarHBondContact OD2-CD 3.49Å; D168-R195 IonicContact OD2-CZ 2.75Å; D168-R195 IonicContact OD2-NH1 3.79Å; D168-R195 PolarHBondContact OD2-NH1 2.87Å
196	T	96.3	Very high	94	Very high	27 Å²	27	56.3 Å²	56.3	17%	0.166	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-89.7	119.8	172.6	-59.8	0	0	0	0	109.5	R93 I199	R93-T196 WeakPolarHBondContact CD-OG1 3.49Å; R93-T196 VanDerWaalsContact NH1-CG2 3.28Å; T196-I199 HydrophobicContact CG2-CG2 3.74Å
197	E	94.5	Very high	93.6	Very high	189 Å²	189	55.7 Å²	55.7	88%	0.883	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	151.1	177	-62.4	-172.8	168.9	0	0	112.4	I199	E197-I199 PolarHBondContact O-N 3.47Å
198	G	91.4	Very high	93.1	Very high	65 Å²	65	58.7 Å²	58.7	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	7.5	176.3	0	0	0	0	0	115.6	R207	G198-R207 PolarHBondContact O-NH2 3.4Å; G198-R207 VanDerWaalsContact O-NH2 3.15Å
199	I	94	Very high	92.4	Very high	42 Å²	42	57.7 Å²	57.7	22%	0.215	30%	0.304	C	S	.	.			trans	-143.6	132.4	172.4	-163.3	170.6	0	0	0	112.2	H88 S89 T196 E197 I204	H88-I199 HydrophobicContact CB-CD1 3.81Å; H88-I199 HydrophobicContact CB-CG1 4.35Å; S89-I199 WeakPolarHBondContact OG-CD1 3.43Å; T196-I199 HydrophobicContact CG2-CG2 3.74Å; E197-I199 PolarHBondContact O-N 3.47Å; I199-I204 HydrophobicContact CG1-CD1 4.33Å
200	S	93.4	Very high	91.5	Very high	35 Å²	35	64.1 Å²	64.1	25%	0.245	33%	0.328	C	S	.	.			trans	-160.4	162.1	169.8	63.9	0	0	0	0	110	H88 S202 D203 I204	H88-S200 WeakPolarHBondContact NE2-CA 3.43Å; S200-S202 VanDerWaalsContact C-N 3.28Å; S200-S202 PolarHBondContact O-N 3.41Å; S200-D203 PolarHBondContact O-N 2.78Å; S200-D203 VanDerWaalsContact O-N 3.15Å; S200-D203 VanDerWaalsContact OG-CB 3.28Å; S200-D203 WeakPolarHBondContact OG-CB 3.49Å; S200-D203 PolarHBondContact OG-N 3.09Å; S200-D203 VanDerWaalsContact OG-N 3.11Å; S200-I204 WeakPolarHBondContact O-CG1 3.35Å; S200-I204 PolarHBondContact O-N 3.12Å
201	T	92.5	Very high	90.8	Very high	24 Å²	24	68.4 Å²	68.4	15%	0.147	35%	0.352	C	S	.	.	H	α-helix	trans	-52.3	-48.3	172.7	-50.8	0	0	0	0	111	D85 V86 H88 D203 I204 I205	D85-T201 HydrophobicContact CB-CG2 4.13Å; D85-T201 WeakPolarHBondContact O-CG2 3.34Å; D85-T201 PolarHBondContact O-OG1 3.41Å; V86-T201 HydrophobicContact CB-CG2 4.05Å; V86-T201 HydrophobicContact CG2-CG2 3.94Å; H88-T201 PolarHBondContact NE2-N 3.44Å; H88-T201 PolarHBondContact NE2-OG1 3.5Å; T201-D203 VanDerWaalsContact C-N 3.34Å; T201-D203 PolarHBondContact O-N 3.43Å; T201-I204 PolarHBondContact O-N 3.21Å; T201-I205 HydrophobicContact CG2-CD1 3.85Å; T201-I205 WeakPolarHBondContact O-CB 3.15Å; T201-I205 VanDerWaalsContact O-CG1 3.27Å; T201-I205 WeakPolarHBondContact O-CG1 3.43Å; T201-I205 PolarHBondContact O-N 3.24Å
202	S	87.2	Confident	90	Very high	52 Å²	52	73.2 Å²	73.2	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-41.1	178.8	-54.4	0	0	0	0	112.5	S200 I205 T206 L289	S200-S202 VanDerWaalsContact C-N 3.28Å; S200-S202 PolarHBondContact O-N 3.41Å; S202-I205 PolarHBondContact O-N 2.89Å; S202-T206 WeakPolarHBondContact O-CB 3.33Å; S202-T206 PolarHBondContact O-N 3.17Å; S202-T206 PolarHBondContact O-OG1 3.02Å; S202-L289 WeakPolarHBondContact O-CD2 3.47Å
203	D	90	Very high	89	Confident	46 Å²	46	71.4 Å²	71.4	25%	0.246	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-42.8	177.7	170.6	52.4	0	0	0	111.9	S200 T201 I205 T206 R207	S200-D203 PolarHBondContact O-N 2.78Å; S200-D203 VanDerWaalsContact O-N 3.15Å; S200-D203 VanDerWaalsContact OG-CB 3.28Å; S200-D203 WeakPolarHBondContact OG-CB 3.49Å; S200-D203 PolarHBondContact OG-N 3.09Å; S200-D203 VanDerWaalsContact OG-N 3.11Å; T201-D203 VanDerWaalsContact C-N 3.34Å; T201-D203 PolarHBondContact O-N 3.43Å; D203-I205 PolarHBondContact O-N 3.06Å; D203-T206 WeakPolarHBondContact O-CB 3.41Å; D203-T206 PolarHBondContact O-N 3.22Å; D203-T206 VanDerWaalsContact O-N 3.17Å; D203-R207 VanDerWaalsContact O-CG 3.29Å; D203-R207 WeakPolarHBondContact O-CG 3.2Å; D203-R207 PolarHBondContact O-N 3.41Å; D203-R207 IonicContact OD1-CZ 3.44Å; D203-R207 IonicContact OD1-NE 3.52Å; D203-R207 PolarHBondContact OD1-NE 2.8Å; D203-R207 VanDerWaalsContact OD1-NE 3.11Å; D203-R207 IonicContact OD1-NH2 2.85Å; D203-R207 IonicContact OD2-CZ 3.49Å; D203-R207 IonicContact OD2-NE 2.72Å; D203-R207 PolarHBondContact OD2-NE 2.9Å; D203-R207 VanDerWaalsContact OD2-NE 3.1Å; D203-R207 IonicContact OD2-NH2 3.6Å; D203-R207 PolarHBondContact OD2-NH2 3.02Å
204	I	91.4	Very high	88.1	Confident	36 Å²	36	73.3 Å²	73.3	19%	0.185	37%	0.368	C	S	.	.	H	α-helix	trans	-59.9	-47.2	174.4	-65	168.9	0	0	0	110.6	V86 H88 I199 S200 T201 T206 R207 I208	V86-I204 HydrophobicContact CG1-CB 4.5Å; V86-I204 HydrophobicContact CG1-CD1 4.11Å; V86-I204 HydrophobicContact CG1-CG2 3.95Å; H88-I204 HydrophobicContact CB-CD1 3.75Å; I199-I204 HydrophobicContact CG1-CD1 4.33Å; S200-I204 WeakPolarHBondContact O-CG1 3.35Å; S200-I204 PolarHBondContact O-N 3.12Å; T201-I204 PolarHBondContact O-N 3.21Å; I204-T206 VanDerWaalsContact C-N 3.31Å; I204-T206 PolarHBondContact O-N 3.01Å; I204-R207 PolarHBondContact O-N 3.34Å; I204-I208 HydrophobicContact CG2-CD1 4.03Å; I204-I208 WeakPolarHBondContact O-CG1 3.16Å; I204-I208 PolarHBondContact O-N 2.8Å; I204-I208 VanDerWaalsContact O-N 3.13Å
205	I	87.1	Confident	87.2	Confident	11 Å²	11	72.5 Å²	72.5	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-58.5	-45	175.3	-68.4	169.4	0	0	0	110.4	V125 T201 S202 D203 R207 I208 V209 F288 L289 F292	V125-I205 HydrophobicContact CG2-CD1 3.64Å; V125-I205 HydrophobicContact CG2-CG1 4.08Å; T201-I205 HydrophobicContact CG2-CD1 3.85Å; T201-I205 WeakPolarHBondContact O-CB 3.15Å; T201-I205 VanDerWaalsContact O-CG1 3.27Å; T201-I205 WeakPolarHBondContact O-CG1 3.43Å; T201-I205 PolarHBondContact O-N 3.24Å; S202-I205 PolarHBondContact O-N 2.89Å; D203-I205 PolarHBondContact O-N 3.06Å; I205-R207 VanDerWaalsContact C-N 3.32Å; I205-R207 PolarHBondContact O-N 3.17Å; I205-I208 PolarHBondContact O-N 3Å; I205-V209 HydrophobicContact CG2-CG2 4.07Å; I205-V209 VanDerWaalsContact O-CG2 3.28Å; I205-V209 WeakPolarHBondContact O-CG2 3.28Å; I205-V209 PolarHBondContact O-N 2.82Å; I205-F288 HydrophobicContact CG2-CD1 4.2Å; I205-F288 HydrophobicContact CG2-CE1 3.62Å; I205-L289 HydrophobicContact CB-CD2 4.24Å; I205-L289 HydrophobicContact CG2-CD2 3.88Å; I205-F292 HydrophobicContact CD1-CD1 3.85Å; I205-F292 HydrophobicContact CD1-CD2 4.49Å; I205-F292 HydrophobicContact CD1-CE1 4.05Å; I205-F292 HydrophobicContact CD1-CG 4.1Å; I205-F292 HydrophobicContact CD1-CZ 4.46Å
206	T	83.9	Confident	86.3	Confident	22 Å²	22	65.8 Å²	65.8	14%	0.135	34%	0.337	C	S	.	.	H	α-helix	trans	-58.1	-44.1	179.5	-57.3	0	0	0	0	111.7	S202 D203 I204 R210 I285 L289	S202-T206 WeakPolarHBondContact O-CB 3.33Å; S202-T206 PolarHBondContact O-N 3.17Å; S202-T206 PolarHBondContact O-OG1 3.02Å; D203-T206 WeakPolarHBondContact O-CB 3.41Å; D203-T206 PolarHBondContact O-N 3.22Å; D203-T206 VanDerWaalsContact O-N 3.17Å; I204-T206 VanDerWaalsContact C-N 3.31Å; I204-T206 PolarHBondContact O-N 3.01Å; T206-R210 WeakPolarHBondContact O-CB 3.4Å; T206-R210 PolarHBondContact O-N 3.47Å; T206-I285 HydrophobicContact CG2-CG2 4.09Å; T206-L289 HydrophobicContact CG2-CD1 4.28Å; T206-L289 WeakPolarHBondContact OG1-CD1 3.38Å; T206-L289 WeakPolarHBondContact OG1-CD2 3.4Å
207	R	86.7	Confident	85.2	Confident	127 Å²	127	67.6 Å²	67.6	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-48.9	178.3	-66.2	167.9	-167.8	-163.9	2.5	110.7	G198 D203 I204 I205 V209 R210 D211	G198-R207 PolarHBondContact O-NH2 3.4Å; G198-R207 VanDerWaalsContact O-NH2 3.15Å; D203-R207 VanDerWaalsContact O-CG 3.29Å; D203-R207 WeakPolarHBondContact O-CG 3.2Å; D203-R207 PolarHBondContact O-N 3.41Å; D203-R207 IonicContact OD1-CZ 3.44Å; D203-R207 IonicContact OD1-NE 3.52Å; D203-R207 PolarHBondContact OD1-NE 2.8Å; D203-R207 VanDerWaalsContact OD1-NE 3.11Å; D203-R207 IonicContact OD1-NH2 2.85Å; D203-R207 IonicContact OD2-CZ 3.49Å; D203-R207 IonicContact OD2-NE 2.72Å; D203-R207 PolarHBondContact OD2-NE 2.9Å; D203-R207 VanDerWaalsContact OD2-NE 3.1Å; D203-R207 IonicContact OD2-NH2 3.6Å; D203-R207 PolarHBondContact OD2-NH2 3.02Å; I204-R207 PolarHBondContact O-N 3.34Å; I205-R207 VanDerWaalsContact C-N 3.32Å; I205-R207 PolarHBondContact O-N 3.17Å; R207-V209 PolarHBondContact O-N 2.94Å; R207-R210 PolarHBondContact O-N 3.39Å; R207-D211 WeakPolarHBondContact O-CB 3.5Å; R207-D211 PolarHBondContact O-N 3.02Å
208	I	86.1	Confident	84.5	Confident	110 Å²	110	64.5 Å²	64.5	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-59.9	-48.9	179	-65.4	167.8	0	0	0	111	I204 I205 R210 D211 Y212	I204-I208 HydrophobicContact CG2-CD1 4.03Å; I204-I208 WeakPolarHBondContact O-CG1 3.16Å; I204-I208 PolarHBondContact O-N 2.8Å; I204-I208 VanDerWaalsContact O-N 3.13Å; I205-I208 PolarHBondContact O-N 3Å; I208-R210 PolarHBondContact O-N 3.17Å; I208-D211 PolarHBondContact O-N 3.05Å; I208-Y212 WeakPolarHBondContact O-CB 3.43Å; I208-Y212 PolarHBondContact O-N 3.13Å
209	V	81.9	Confident	83.7	Confident	28 Å²	28	62 Å²	62	17%	0.17	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-41.9	-178.4	177.3	0	0	0	0	111.1	I205 R207 Y212 D213 I285 F288	I205-V209 HydrophobicContact CG2-CG2 4.07Å; I205-V209 VanDerWaalsContact O-CG2 3.28Å; I205-V209 WeakPolarHBondContact O-CG2 3.28Å; I205-V209 PolarHBondContact O-N 2.82Å; R207-V209 PolarHBondContact O-N 2.94Å; V209-Y212 PolarHBondContact O-N 2.96Å; V209-D213 WeakPolarHBondContact O-CB 3.5Å; V209-D213 PolarHBondContact O-N 3.46Å; V209-I285 HydrophobicContact CG1-CG1 3.83Å; V209-F288 HydrophobicContact CG2-CD1 3.96Å; V209-F288 HydrophobicContact CG2-CE1 3.69Å
210	R	78.6	Confident	82.8	Confident	143 Å²	143	62.4 Å²	62.4	54%	0.54	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-44.9	178.2	-173.6	-177	-75.3	168	-3.3	111.3	T206 R207 I208 D213 V214 I285	T206-R210 WeakPolarHBondContact O-CB 3.4Å; T206-R210 PolarHBondContact O-N 3.47Å; R207-R210 PolarHBondContact O-N 3.39Å; I208-R210 PolarHBondContact O-N 3.17Å; R210-D213 PolarHBondContact O-N 3.36Å; R210-V214 WeakPolarHBondContact O-CG2 3.27Å; R210-V214 PolarHBondContact O-N 3.49Å; R210-V214 VanDerWaalsContact O-N 3.13Å; R210-I285 HydrophobicContact CB-CD1 4.33Å
211	D	83.3	Confident	81.8	Confident	111 Å²	111	68 Å²	68	59%	0.594	32%	0.317	S	S	*	.	H	α-helix	trans	-68	-38.1	179	-71	-11.6	0	0	0	111.6	R207 I208 V214 Y215	R207-D211 WeakPolarHBondContact O-CB 3.5Å; R207-D211 PolarHBondContact O-N 3.02Å; I208-D211 PolarHBondContact O-N 3.05Å; D211-V214 PolarHBondContact O-N 3.29Å; D211-Y215 WeakPolarHBondContact O-CB 3.36Å; D211-Y215 PolarHBondContact O-N 2.89Å
212	Y	82.3	Confident	81.3	Confident	106 Å²	106	75.1 Å²	75.1	42%	0.416	34%	0.341	S	S	.	.	H	α-helix	trans	-64.6	-42.4	174.9	-174.5	-105.2	0	0	0	112.1	I208 V209 V214 Y215 V216 L229	I208-Y212 WeakPolarHBondContact O-CB 3.43Å; I208-Y212 PolarHBondContact O-N 3.13Å; V209-Y212 PolarHBondContact O-N 2.96Å; Y212-V214 PolarHBondContact O-N 3.15Å; Y212-Y215 HydrophobicContact CD2-CD1 4.45Å; Y212-Y215 HydrophobicContact CE2-CD1 4.44Å; Y212-Y215 WeakPolarHBondContact O-CB 3.3Å; Y212-Y215 PolarHBondContact O-N 3.46Å; Y212-V216 HydrophobicContact CD1-CG2 4.04Å; Y212-V216 HydrophobicContact CD2-CG2 4.44Å; Y212-V216 HydrophobicContact CE1-CG2 3.63Å; Y212-V216 HydrophobicContact CE2-CG2 4.07Å; Y212-V216 HydrophobicContact CG-CG2 4.43Å; Y212-V216 WeakPolarHBondContact O-CG2 3.39Å; Y212-V216 PolarHBondContact O-N 3.12Å; Y212-L229 PolarHBondContact OH-O 3.13Å
213	D	77.1	Confident	80.8	Confident	29 Å²	29	75.5 Å²	75.5	16%	0.155	35%	0.353	C	S	.	.	H	α-helix	trans	-59.6	-45.6	174.8	176.7	73.8	0	0	0	111.8	V209 R210 Y215 V216 R217 S281	V209-D213 WeakPolarHBondContact O-CB 3.5Å; V209-D213 PolarHBondContact O-N 3.46Å; R210-D213 PolarHBondContact O-N 3.36Å; D213-Y215 VanDerWaalsContact C-N 3.34Å; D213-Y215 PolarHBondContact O-N 3.44Å; D213-V216 PolarHBondContact O-N 2.89Å; D213-R217 WeakPolarHBondContact O-CB 3.45Å; D213-R217 WeakPolarHBondContact O-CG 3.24Å; D213-R217 PolarHBondContact O-N 2.98Å; D213-R217 IonicContact OD2-CZ 3.93Å; D213-R217 IonicContact OD2-NE 2.71Å; D213-R217 PolarHBondContact OD2-NE 2.83Å; D213-R217 IonicContact OD2-NH2 2.9Å; D213-R217 PolarHBondContact OD2-NH2 3.3Å; D213-S281 PolarHBondContact OD1-OG 3.26Å; D213-S281 PolarHBondContact OD2-OG 3.25Å; D213-S281 VanDerWaalsContact OD2-OG 3.04Å
214	V	77.1	Confident	80.2	Confident	50 Å²	50	79.1 Å²	79.1	30%	0.303	36%	0.364	S	S	.	.	H	α-helix	trans	-61.7	-42.9	175.7	173.3	0	0	0	0	111.1	R210 D211 Y212 R217 R218	R210-V214 WeakPolarHBondContact O-CG2 3.27Å; R210-V214 PolarHBondContact O-N 3.49Å; R210-V214 VanDerWaalsContact O-N 3.13Å; D211-V214 PolarHBondContact O-N 3.29Å; Y212-V214 PolarHBondContact O-N 3.15Å; V214-R217 PolarHBondContact O-N 3.32Å; V214-R218 WeakPolarHBondContact O-CB 3.45Å; V214-R218 PolarHBondContact O-N 3.18Å
215	Y	79.9	Confident	79.5	Confident	112 Å²	112	80.8 Å²	80.8	44%	0.439	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-49.5	176.9	169.9	-94.5	0	0	0	111.6	D211 Y212 D213 R217 R218 N219 L229	D211-Y215 WeakPolarHBondContact O-CB 3.36Å; D211-Y215 PolarHBondContact O-N 2.89Å; Y212-Y215 HydrophobicContact CD2-CD1 4.45Å; Y212-Y215 HydrophobicContact CE2-CD1 4.44Å; Y212-Y215 WeakPolarHBondContact O-CB 3.3Å; Y212-Y215 PolarHBondContact O-N 3.46Å; D213-Y215 VanDerWaalsContact C-N 3.34Å; D213-Y215 PolarHBondContact O-N 3.44Å; Y215-R217 PolarHBondContact O-N 3.41Å; Y215-R218 PolarHBondContact O-N 2.63Å; Y215-N219 VanDerWaalsContact CD2-ND2 3.32Å; Y215-N219 WeakPolarHBondContact CD2-ND2 3.42Å; Y215-N219 WeakPolarHBondContact CE2-ND2 3.38Å; Y215-N219 PolarHBondContact O-N 3.11Å; Y215-N219 VanDerWaalsContact O-N 3.13Å; Y215-N219 PolarHBondContact O-ND2 3.21Å; Y215-L229 HydrophobicContact CE1-CD2 4.04Å
216	V	77.3	Confident	78.8	Confident	17 Å²	17	82.1 Å²	82.1	10%	0.103	39%	0.389	C	S	.	.	H	α-helix	trans	-60.2	-47.7	179.3	170	0	0	0	0	110.3	Y212 D213 R218 N219 L220 L229 V231	Y212-V216 HydrophobicContact CD1-CG2 4.04Å; Y212-V216 HydrophobicContact CD2-CG2 4.44Å; Y212-V216 HydrophobicContact CE1-CG2 3.63Å; Y212-V216 HydrophobicContact CE2-CG2 4.07Å; Y212-V216 HydrophobicContact CG-CG2 4.43Å; Y212-V216 WeakPolarHBondContact O-CG2 3.39Å; Y212-V216 PolarHBondContact O-N 3.12Å; D213-V216 PolarHBondContact O-N 2.89Å; V216-R218 PolarHBondContact O-N 3.29Å; V216-N219 PolarHBondContact O-N 2.95Å; V216-L220 HydrophobicContact CG1-CD1 3.75Å; V216-L220 HydrophobicContact CG1-CG 4.24Å; V216-L220 VanDerWaalsContact O-CG 3.31Å; V216-L220 WeakPolarHBondContact O-CG 3.36Å; V216-L220 PolarHBondContact O-N 2.81Å; V216-L229 HydrophobicContact CG1-CD1 4.47Å; V216-V231 HydrophobicContact CG1-CG2 3.92Å; V216-V231 HydrophobicContact CG2-CG2 3.76Å
217	R	73.6	Confident	78.3	Confident	64 Å²	64	90.3 Å²	90.3	24%	0.242	42%	0.422	C	S	.	.	H	α-helix	trans	-56.5	-48.1	178.3	-77.4	-169.7	-77	150.2	-8.9	112.6	D213 V214 Y215 N219 L220 Q221 E278	D213-R217 WeakPolarHBondContact O-CB 3.45Å; D213-R217 WeakPolarHBondContact O-CG 3.24Å; D213-R217 PolarHBondContact O-N 2.98Å; D213-R217 IonicContact OD2-CZ 3.93Å; D213-R217 IonicContact OD2-NE 2.71Å; D213-R217 PolarHBondContact OD2-NE 2.83Å; D213-R217 IonicContact OD2-NH2 2.9Å; D213-R217 PolarHBondContact OD2-NH2 3.3Å; V214-R217 PolarHBondContact O-N 3.32Å; Y215-R217 PolarHBondContact O-N 3.41Å; R217-N219 VanDerWaalsContact C-N 3.33Å; R217-N219 PolarHBondContact O-N 3.43Å; R217-L220 PolarHBondContact O-N 3.04Å; R217-Q221 WeakPolarHBondContact O-CG 3.1Å; R217-Q221 PolarHBondContact O-N 3.37Å; R217-Q221 VanDerWaalsContact O-N 3.12Å; R217-E278 IonicContact CZ-OE1 3.52Å; R217-E278 IonicContact NH1-OE1 3.16Å; R217-E278 PolarHBondContact NH1-OE1 2.79Å
218	R	80.3	Confident	77.7	Confident	124 Å²	124	90.3 Å²	90.3	47%	0.468	43%	0.428	S	S	.	.	H	α-helix	trans	-62.3	-39.9	-178.7	-173.6	-174.8	-60.5	155.3	2.9	112.1	V214 Y215 V216 R222	V214-R218 WeakPolarHBondContact O-CB 3.45Å; V214-R218 PolarHBondContact O-N 3.18Å; Y215-R218 PolarHBondContact O-N 2.63Å; V216-R218 PolarHBondContact O-N 3.29Å; R218-R222 VanDerWaalsContact O-CG 3.32Å; R218-R222 WeakPolarHBondContact O-CG 3.47Å; R218-R222 PolarHBondContact O-N 3.07Å
219	N	73.4	Confident	77	Confident	14 Å²	14	85.7 Å²	85.7	8%	0.075	40%	0.404	C	S	.	.	H	α-helix	trans	-77.3	-35.8	-178.2	-72.2	-71.6	0	0	0	112.3	Y215 V216 R217 Q221 R222 G223 Y224 L229	Y215-N219 VanDerWaalsContact CD2-ND2 3.32Å; Y215-N219 WeakPolarHBondContact CD2-ND2 3.42Å; Y215-N219 WeakPolarHBondContact CE2-ND2 3.38Å; Y215-N219 PolarHBondContact O-N 3.11Å; Y215-N219 VanDerWaalsContact O-N 3.13Å; Y215-N219 PolarHBondContact O-ND2 3.21Å; V216-N219 PolarHBondContact O-N 2.95Å; R217-N219 VanDerWaalsContact C-N 3.33Å; R217-N219 PolarHBondContact O-N 3.43Å; N219-Q221 VanDerWaalsContact C-N 3.31Å; N219-Q221 PolarHBondContact O-N 3.1Å; N219-R222 CarbonylContact O-C 3.54Å; N219-R222 WeakPolarHBondContact O-CB 3.28Å; N219-R222 PolarHBondContact O-N 3.34Å; N219-G223 PolarHBondContact O-N 2.91Å; N219-Y224 HydrophobicContact CB-CD2 3.93Å; N219-Y224 HydrophobicContact CB-CG 4.3Å; N219-Y224 WeakPolarHBondContact O-CB 3.22Å; N219-Y224 WeakPolarHBondContact O-CD2 3.33Å; N219-Y224 PolarHBondContact O-N 3.5Å; N219-Y224 VanDerWaalsContact O-N 3.13Å; N219-L229 HydrophobicContact CB-CD1 3.76Å; N219-L229 HydrophobicContact CB-CD2 3.64Å; N219-L229 HydrophobicContact CB-CG 4.32Å
220	L	75.9	Confident	76.4	Confident	49 Å²	49	90.9 Å²	90.9	26%	0.257	43%	0.431	S	S	.	.	H	α-helix	trans	-59.8	-41.7	171.4	-69.7	173.2	0	0	0	111.7	V216 R217 R222 G223 Y224 L229	V216-L220 HydrophobicContact CG1-CD1 3.75Å; V216-L220 HydrophobicContact CG1-CG 4.24Å; V216-L220 VanDerWaalsContact O-CG 3.31Å; V216-L220 WeakPolarHBondContact O-CG 3.36Å; V216-L220 PolarHBondContact O-N 2.81Å; R217-L220 PolarHBondContact O-N 3.04Å; L220-R222 PolarHBondContact O-N 3.33Å; L220-G223 PolarHBondContact O-N 3.41Å; L220-Y224 WeakPolarHBondContact CD2-O 3.48Å; L220-L229 HydrophobicContact CD2-CD1 3.94Å; L220-L229 HydrophobicContact CG-CD1 3.95Å
221	Q	72.3	Confident	75.8	Confident	153 Å²	153	86 Å²	86	72%	0.715	42%	0.417	S	S	*	.	H	α-helix	trans	-63	-27.7	174.9	-73.9	176.9	-6.2	0	0	113.3	R217 N219 G223	R217-Q221 WeakPolarHBondContact O-CG 3.1Å; R217-Q221 PolarHBondContact O-N 3.37Å; R217-Q221 VanDerWaalsContact O-N 3.12Å; N219-Q221 VanDerWaalsContact C-N 3.31Å; N219-Q221 PolarHBondContact O-N 3.1Å; Q221-G223 VanDerWaalsContact C-N 3.25Å
222	R	82.4	Confident	74.2	Confident	174 Å²	174	85.5 Å²	85.5	66%	0.657	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.1	176.1	-69.7	170.4	177.4	-170.8	-4.5	113.2	R218 N219 L220 Y224	R218-R222 VanDerWaalsContact O-CG 3.32Å; R218-R222 WeakPolarHBondContact O-CG 3.47Å; R218-R222 PolarHBondContact O-N 3.07Å; N219-R222 CarbonylContact O-C 3.54Å; N219-R222 WeakPolarHBondContact O-CB 3.28Å; N219-R222 PolarHBondContact O-N 3.34Å; L220-R222 PolarHBondContact O-N 3.33Å; R222-Y224 HydrophobicContact CB-CD2 4.06Å; R222-Y224 HydrophobicContact CB-CE2 4.2Å
223	G	76.8	Confident	72.3	Confident	60 Å²	60	88.1 Å²	88.1	62%	0.619	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	5.1	176.4	0	0	0	0	0	115.4	N219 L220 Q221	N219-G223 PolarHBondContact O-N 2.91Å; L220-G223 PolarHBondContact O-N 3.41Å; Q221-G223 VanDerWaalsContact C-N 3.25Å
224	Y	76.4	Confident	70.9	Confident	122 Å²	122	92 Å²	92	48%	0.478	46%	0.456	S	S	.	.			trans	-66.9	144.4	170.7	-69	-89.9	0	0	0	110.2	N219 L220 R222	N219-Y224 HydrophobicContact CB-CD2 3.93Å; N219-Y224 HydrophobicContact CB-CG 4.3Å; N219-Y224 WeakPolarHBondContact O-CB 3.22Å; N219-Y224 WeakPolarHBondContact O-CD2 3.33Å; N219-Y224 PolarHBondContact O-N 3.5Å; N219-Y224 VanDerWaalsContact O-N 3.13Å; L220-Y224 WeakPolarHBondContact CD2-O 3.48Å; R222-Y224 HydrophobicContact CB-CD2 4.06Å; R222-Y224 HydrophobicContact CB-CE2 4.2Å
225	T	77.1	Confident	69.4	Low	70 Å²	70	91.8 Å²	91.8	43%	0.429	45%	0.453	S	S	.	.			trans	-84.8	154.5	177.7	68.3	0	0	0	0	111.3	K227 E228 L229	T225-K227 PolarHBondContact O-N 3.37Å; T225-E228 PolarHBondContact N-OE2 2.98Å; T225-E228 PolarHBondContact O-N 3.48Å; T225-E228 VanDerWaalsContact O-N 3.1Å; T225-E228 VanDerWaalsContact OG1-CG 3.22Å; T225-E228 WeakPolarHBondContact OG1-CG 3.32Å; T225-E228 PolarHBondContact OG1-N 3.36Å; T225-E228 PolarHBondContact OG1-OE2 3.09Å; T225-L229 PolarHBondContact O-N 3.25Å
226	A	71.9	Confident	67.4	Low	40 Å²	40	92.7 Å²	92.7	33%	0.331	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.8	177	0	0	0	0	0	113	L229 N230 V231	A226-L229 PolarHBondContact O-N 3.36Å; A226-N230 PolarHBondContact O-N 3.18Å; A226-V231 PolarHBondContact O-N 2.91Å
227	K	73.1	Confident	65.6	Low	193 Å²	193	101.3 Å²	101.3	84%	0.839	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-39	176.1	-168.9	179.3	-179.9	-176.5	0	111.7	T225 L229 N230	T225-K227 PolarHBondContact O-N 3.37Å; K227-L229 VanDerWaalsContact C-N 3.31Å; K227-N230 PolarHBondContact O-N 2.92Å
228	E	74.1	Confident	64.2	Low	127 Å²	127	101.7 Å²	101.7	59%	0.593	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-30	175.9	-71.7	162.8	158.9	0	0	112.5	T225 N230	T225-E228 PolarHBondContact N-OE2 2.98Å; T225-E228 PolarHBondContact O-N 3.48Å; T225-E228 VanDerWaalsContact O-N 3.1Å; T225-E228 VanDerWaalsContact OG1-CG 3.22Å; T225-E228 WeakPolarHBondContact OG1-CG 3.32Å; T225-E228 PolarHBondContact OG1-N 3.36Å; T225-E228 PolarHBondContact OG1-OE2 3.09Å; E228-N230 PolarHBondContact O-N 2.9Å
229	L	73.3	Confident	62.4	Low	14 Å²	14	101.3 Å²	101.3	7%	0.073	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	6.1	177.8	-62.5	174.5	0	0	0	113.4	Y212 Y215 V216 N219 L220 T225 A226 K227 V231	Y212-L229 PolarHBondContact OH-O 3.13Å; Y215-L229 HydrophobicContact CE1-CD2 4.04Å; V216-L229 HydrophobicContact CG1-CD1 4.47Å; N219-L229 HydrophobicContact CB-CD1 3.76Å; N219-L229 HydrophobicContact CB-CD2 3.64Å; N219-L229 HydrophobicContact CB-CG 4.32Å; L220-L229 HydrophobicContact CD2-CD1 3.94Å; L220-L229 HydrophobicContact CG-CD1 3.95Å; T225-L229 PolarHBondContact O-N 3.25Å; A226-L229 PolarHBondContact O-N 3.36Å; K227-L229 VanDerWaalsContact C-N 3.31Å; L229-V231 HydrophobicContact CB-CG2 3.6Å; L229-V231 WeakPolarHBondContact O-CG2 3.41Å; L229-V231 PolarHBondContact O-N 3.27Å; L229-V231 VanDerWaalsContact O-N 3.07Å
230	N	67.7	Low	60.9	Low	137 Å²	137	106.2 Å²	106.2	73%	0.733	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	31.5	-174.6	-157.1	29.3	0	0	0	113.4	A226 K227 E228 S232	A226-N230 PolarHBondContact O-N 3.18Å; K227-N230 PolarHBondContact O-N 2.92Å; E228-N230 PolarHBondContact O-N 2.9Å; N230-S232 PolarHBondContact O-N 2.96Å
231	V	65.9	Low	59.6	Low	41 Å²	41	109.2 Å²	109.2	25%	0.248	54%	0.538	C	S	.	.			trans	-85.4	92.7	177.9	-166.9	0	0	0	0	106.4	V216 A226 L229 F233	V216-V231 HydrophobicContact CG1-CG2 3.92Å; V216-V231 HydrophobicContact CG2-CG2 3.76Å; A226-V231 PolarHBondContact O-N 2.91Å; L229-V231 HydrophobicContact CB-CG2 3.6Å; L229-V231 WeakPolarHBondContact O-CG2 3.41Å; L229-V231 PolarHBondContact O-N 3.27Å; L229-V231 VanDerWaalsContact O-N 3.07Å; V231-F233 PolarHBondContact O-N 3.42Å
232	S	50.7	Low	58.5	Low	100 Å²	100	106 Å²	106	70%	0.699	52%	0.523	S	S	*	.			trans	-66.8	105.4	178.2	37.3	0	0	0	0	110.9	N230 I234	N230-S232 PolarHBondContact O-N 2.96Å; S232-I234 VanDerWaalsContact C-N 3.28Å; S232-I234 PolarHBondContact O-N 3.17Å
233	F	41.9	Very low	57.1	Low	161 Å²	161	103.3 Å²	103.3	71%	0.706	52%	0.518	S	S	*	.	S	Bend	trans	46.1	21.6	150.4	-96.2	-91.3	0	0	0	121	V231 N235 E236	V231-F233 PolarHBondContact O-N 3.42Å; F233-N235 VanDerWaalsContact C-N 3.25Å; F233-N235 PolarHBondContact O-N 2.83Å; F233-N235 VanDerWaalsContact O-N 3.13Å; F233-E236 HydrophobicContact CD1-CB 3.81Å; F233-E236 HydrophobicContact CD1-CG 4.41Å; F233-E236 HydrophobicContact CE1-CB 3.65Å; F233-E236 VanDerWaalsContact CE1-CD 3.4Å; F233-E236 HydrophobicContact CE1-CG 3.75Å; F233-E236 WeakPolarHBondContact CE1-OE2 3.44Å
234	I	46.8	Very low	56	Low	109 Å²	109	108.6 Å²	108.6	56%	0.559	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	82.5	152	-55.2	175.2	0	0	0	105.7	S232 F284	S232-I234 VanDerWaalsContact C-N 3.28Å; S232-I234 PolarHBondContact O-N 3.17Å; I234-F284 HydrophobicContact CD1-CE2 4Å; I234-F284 HydrophobicContact CD1-CZ 3.6Å
235	N	46.1	Very low	55	Low	46 Å²	46	106.4 Å²	106.4	25%	0.246	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	164.2	12.3	158.8	-86.9	-36	0	0	0	117.5	F233 K237 K238 Y239	F233-N235 VanDerWaalsContact C-N 3.25Å; F233-N235 PolarHBondContact O-N 2.83Å; F233-N235 VanDerWaalsContact O-N 3.13Å; N235-K237 VanDerWaalsContact C-N 3.29Å; N235-K237 PolarHBondContact O-N 2.62Å; N235-K238 PolarHBondContact O-N 3.15Å; N235-K238 VanDerWaalsContact O-N 3.09Å; N235-K238 WeakPolarHBondContact OD1-CD 3.48Å; N235-Y239 HydrophobicContact CB-CD2 3.71Å; N235-Y239 HydrophobicContact CB-CE2 3.65Å; N235-Y239 WeakPolarHBondContact O-CD2 3.29Å; N235-Y239 PolarHBondContact O-N 3.1Å
236	E	37.8	Very low	54	Low	132 Å²	132	105.9 Å²	105.9	62%	0.617	51%	0.513	S	S	*	.	H	α-helix	trans	-57.3	-40.1	-177.3	-165.6	174.7	-152.2	0	0	113.6	F233 K238	F233-E236 HydrophobicContact CD1-CB 3.81Å; F233-E236 HydrophobicContact CD1-CG 4.41Å; F233-E236 HydrophobicContact CE1-CB 3.65Å; F233-E236 VanDerWaalsContact CE1-CD 3.4Å; F233-E236 HydrophobicContact CE1-CG 3.75Å; F233-E236 WeakPolarHBondContact CE1-OE2 3.44Å; E236-K238 VanDerWaalsContact C-N 3.34Å; E236-K238 PolarHBondContact O-N 3.11Å
237	K	39.3	Very low	53.3	Low	197 Å²	197	110.9 Å²	110.9	86%	0.857	53%	0.527	S	S	*	.	H	α-helix	trans	-78.6	-11.3	-178.9	-69.4	-176.2	178.2	177.6	0	114.7	N235	N235-K237 VanDerWaalsContact C-N 3.29Å; N235-K237 PolarHBondContact O-N 2.62Å
238	K	45.2	Very low	52.6	Low	73 Å²	73	106 Å²	106	32%	0.317	51%	0.513	S	S	.	.	H	α-helix	trans	-93.8	-34.1	-178.1	-155.9	174.6	-172.6	174.2	0	112	N235 E236 L241 Q242 W277	N235-K238 PolarHBondContact O-N 3.15Å; N235-K238 VanDerWaalsContact O-N 3.09Å; N235-K238 WeakPolarHBondContact OD1-CD 3.48Å; E236-K238 VanDerWaalsContact C-N 3.34Å; E236-K238 PolarHBondContact O-N 3.11Å; K238-L241 PolarHBondContact O-N 3.3Å; K238-Q242 PolarHBondContact O-N 3.41Å; K238-W277 HydrophobicContact CD-CZ2 4.28Å
239	Y	42.4	Very low	51.4	Low	116 Å²	116	104 Å²	104	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-70.8	-34.7	176.2	-82.2	-80.9	0	0	0	113.1	N235 L241 Q242 E243	N235-Y239 HydrophobicContact CB-CD2 3.71Å; N235-Y239 HydrophobicContact CB-CE2 3.65Å; N235-Y239 WeakPolarHBondContact O-CD2 3.29Å; N235-Y239 PolarHBondContact O-N 3.1Å; Y239-L241 PolarHBondContact O-N 3.21Å; Y239-Q242 WeakPolarHBondContact O-CB 3.21Å; Y239-Q242 PolarHBondContact O-N 2.86Å; Y239-Q242 VanDerWaalsContact O-N 3.09Å; Y239-E243 PolarHBondContact O-N 3.46Å
240	H	42.5	Very low	50.5	Low	116 Å²	116	110.8 Å²	110.8	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-65.2	-23.6	177.1	-128	-39	0	0	0	113.2	R244	H240-R244 WeakPolarHBondContact O-CG 3.32Å
241	L	47.6	Very low	49.9	Very low	113 Å²	113	112.1 Å²	112.1	59%	0.592	53%	0.526	S	S	*	.	H	α-helix	trans	-79.6	-41.2	172.5	-172.4	64.4	0	0	0	111.2	K238 Y239 E243 R244 V245	K238-L241 PolarHBondContact O-N 3.3Å; Y239-L241 PolarHBondContact O-N 3.21Å; L241-E243 VanDerWaalsContact C-N 3.32Å; L241-E243 PolarHBondContact O-N 3.16Å; L241-R244 PolarHBondContact O-N 2.85Å; L241-V245 VanDerWaalsContact O-CG2 3.31Å; L241-V245 WeakPolarHBondContact O-CG2 3.39Å; L241-V245 PolarHBondContact O-N 3.4Å
242	Q	49.3	Very low	49	Very low	86 Å²	86	112.7 Å²	112.7	40%	0.402	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-39.8	177	-155.3	82	24.3	0	0	111.7	K238 Y239 R244 V245 D246	K238-Q242 PolarHBondContact O-N 3.41Å; Y239-Q242 WeakPolarHBondContact O-CB 3.21Å; Y239-Q242 PolarHBondContact O-N 2.86Å; Y239-Q242 VanDerWaalsContact O-N 3.09Å; Q242-R244 PolarHBondContact O-N 3.3Å; Q242-V245 CarbonylContact O-C 3.56Å; Q242-V245 WeakPolarHBondContact O-CA 3.28Å; Q242-V245 WeakPolarHBondContact O-CB 3.45Å; Q242-V245 PolarHBondContact O-N 2.95Å; Q242-V245 VanDerWaalsContact O-N 3.17Å; Q242-D246 PolarHBondContact O-N 2.86Å
243	E	53.1	Low	48.7	Very low	116 Å²	116	114.3 Å²	114.3	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-69.6	-33.4	179.3	-160.4	-176	-161.5	0	0	112.6	Y239 L241 D246 K247	Y239-E243 PolarHBondContact O-N 3.46Å; L241-E243 VanDerWaalsContact C-N 3.32Å; L241-E243 PolarHBondContact O-N 3.16Å; E243-D246 PolarHBondContact O-N 3.44Å; E243-K247 PolarHBondContact O-N 2.91Å
244	R	54.2	Low	49.2	Very low	172 Å²	172	113.9 Å²	113.9	65%	0.649	53%	0.526	S	S	*	.	H	α-helix	trans	-67	-39.9	170.2	-71.8	177	-175.6	-166.6	1.5	111	H240 L241 Q242 K247 V248	H240-R244 WeakPolarHBondContact O-CG 3.32Å; L241-R244 PolarHBondContact O-N 2.85Å; Q242-R244 PolarHBondContact O-N 3.3Å; R244-K247 PolarHBondContact O-N 2.77Å; R244-V248 WeakPolarHBondContact O-CG2 3.49Å; R244-V248 PolarHBondContact O-N 3.47Å; R244-V248 VanDerWaalsContact O-N 3.07Å
245	V	54.1	Low	49.4	Very low	75 Å²	75	114.4 Å²	114.4	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-64.7	-39	174.4	171.2	0	0	0	0	111	L241 Q242 V248 K249	L241-V245 VanDerWaalsContact O-CG2 3.31Å; L241-V245 WeakPolarHBondContact O-CG2 3.39Å; L241-V245 PolarHBondContact O-N 3.4Å; Q242-V245 CarbonylContact O-C 3.56Å; Q242-V245 WeakPolarHBondContact O-CA 3.28Å; Q242-V245 WeakPolarHBondContact O-CB 3.45Å; Q242-V245 PolarHBondContact O-N 2.95Å; Q242-V245 VanDerWaalsContact O-N 3.17Å; V245-V248 CarbonylContact O-C 3.53Å; V245-V248 PolarHBondContact O-N 3.5Å; V245-K249 WeakPolarHBondContact O-CB 3.48Å; V245-K249 PolarHBondContact O-N 3Å
246	D	55.9	Low	49.3	Very low	59 Å²	59	114.4 Å²	114.4	32%	0.316	53%	0.532	S	S	.	.	H	α-helix	trans	-73	-31.3	178	-77.4	-29.3	0	0	0	113.6	Q242 E243 V248 K249 R250	Q242-D246 PolarHBondContact O-N 2.86Å; E243-D246 PolarHBondContact O-N 3.44Å; D246-V248 VanDerWaalsContact C-N 3.35Å; D246-K249 PolarHBondContact O-N 2.97Å; D246-R250 PolarHBondContact O-N 2.97Å
247	K	59.3	Low	49.7	Very low	145 Å²	145	117.4 Å²	117.4	63%	0.63	55%	0.547	S	S	*	.	H	α-helix	trans	-65.5	-38.1	168.6	-104.7	176.9	176.3	172.3	0	111.7	E243 R244 K251	E243-K247 PolarHBondContact O-N 2.91Å; R244-K247 PolarHBondContact O-N 2.77Å; K247-K251 PolarHBondContact O-N 2.81Å
248	V	57	Low	50.3	Low	91 Å²	91	117.6 Å²	117.6	55%	0.552	55%	0.547	S	S	*	.	H	α-helix	trans	-69.5	-40.7	172.7	173.8	0	0	0	0	110.6	R244 V245 D246 R250 K251 V252	R244-V248 WeakPolarHBondContact O-CG2 3.49Å; R244-V248 PolarHBondContact O-N 3.47Å; R244-V248 VanDerWaalsContact O-N 3.07Å; V245-V248 CarbonylContact O-C 3.53Å; V245-V248 PolarHBondContact O-N 3.5Å; D246-V248 VanDerWaalsContact C-N 3.35Å; V248-R250 VanDerWaalsContact C-N 3.29Å; V248-R250 PolarHBondContact O-N 3.39Å; V248-K251 PolarHBondContact O-N 3.22Å; V248-K251 VanDerWaalsContact O-N 3.15Å; V248-V252 HydrophobicContact CG1-CG2 4.22Å; V248-V252 VanDerWaalsContact O-CG2 3.3Å; V248-V252 WeakPolarHBondContact O-CG2 3.31Å; V248-V252 PolarHBondContact O-N 2.9Å
249	K	48.3	Very low	50.5	Low	85 Å²	85	116.5 Å²	116.5	37%	0.37	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-28.5	177.4	-163.2	177.2	-176.4	-180	0	113.6	V245 D246 R253	V245-K249 WeakPolarHBondContact O-CB 3.48Å; V245-K249 PolarHBondContact O-N 3Å; D246-K249 PolarHBondContact O-N 2.97Å; K249-R253 WeakPolarHBondContact O-CB 3.13Å; K249-R253 PolarHBondContact O-N 3.27Å; K249-R253 VanDerWaalsContact O-N 3.14Å; K249-R253 PolarHBondContact O-NE 3.39Å
250	R	54.9	Low	50.9	Low	156 Å²	156	120.4 Å²	120.4	59%	0.589	57%	0.568	S	S	*	*	H	α-helix	trans	-74.5	-42	171.4	-81.8	-175.5	-106.2	176.7	-8.2	112.2	D246 V248 V252 R253 D254	D246-R250 PolarHBondContact O-N 2.97Å; V248-R250 VanDerWaalsContact C-N 3.29Å; V248-R250 PolarHBondContact O-N 3.39Å; R250-V252 VanDerWaalsContact C-N 3.31Å; R250-V252 PolarHBondContact O-N 2.85Å; R250-R253 PolarHBondContact O-N 3.13Å; R250-D254 PolarHBondContact O-N 3.36Å
251	K	54.9	Low	51.4	Low	165 Å²	165	122.4 Å²	122.4	72%	0.717	58%	0.578	S	S	*	*	H	α-helix	trans	-67.1	-30.7	174.8	-73.1	-173.7	174	-171.5	0	113.3	K247 V248	K247-K251 PolarHBondContact O-N 2.81Å; V248-K251 PolarHBondContact O-N 3.22Å; V248-K251 VanDerWaalsContact O-N 3.15Å
252	V	47.8	Very low	51.5	Low	53 Å²	53	120.6 Å²	120.6	32%	0.321	57%	0.565	S	S	.	*	H	α-helix	trans	-74.1	-39.9	174	173.5	0	0	0	0	110.6	V248 R250 D254 V255 E256 F262	V248-V252 HydrophobicContact CG1-CG2 4.22Å; V248-V252 VanDerWaalsContact O-CG2 3.3Å; V248-V252 WeakPolarHBondContact O-CG2 3.31Å; V248-V252 PolarHBondContact O-N 2.9Å; R250-V252 VanDerWaalsContact C-N 3.31Å; R250-V252 PolarHBondContact O-N 2.85Å; V252-D254 PolarHBondContact O-N 3.38Å; V252-V255 CarbonylContact O-C 3.58Å; V252-V255 WeakPolarHBondContact O-CA 3.32Å; V252-V255 WeakPolarHBondContact O-CB 3.46Å; V252-V255 PolarHBondContact O-N 3.13Å; V252-E256 WeakPolarHBondContact O-CB 3.4Å; V252-E256 PolarHBondContact O-N 3.47Å; V252-E256 VanDerWaalsContact O-N 3.14Å; V252-F262 HydrophobicContact CG1-CE1 4.29Å; V252-F262 HydrophobicContact CG1-CZ 4.09Å
253	R	44.8	Very low	51.5	Low	134 Å²	134	120.7 Å²	120.7	51%	0.506	57%	0.571	S	S	.	*	H	α-helix	trans	-58.7	-37.7	176.2	-97.1	-178.4	-71.7	-157.9	0.8	114.8	K249 R250 V255 E256	K249-R253 WeakPolarHBondContact O-CB 3.13Å; K249-R253 PolarHBondContact O-N 3.27Å; K249-R253 VanDerWaalsContact O-N 3.14Å; K249-R253 PolarHBondContact O-NE 3.39Å; R250-R253 PolarHBondContact O-N 3.13Å; R253-V255 PolarHBondContact O-N 3.46Å; R253-E256 PolarHBondContact O-N 3.4Å
254	D	50.8	Low	51.3	Low	152 Å²	152	121.8 Å²	121.8	81%	0.813	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-19.7	174	-87.9	-4.9	0	0	0	112.9	R250 V252	R250-D254 PolarHBondContact O-N 3.36Å; V252-D254 PolarHBondContact O-N 3.38Å
255	V	51.7	Low	51.2	Low	121 Å²	121	119 Å²	119	73%	0.733	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-8.4	176.7	-173.8	0	0	0	0	111.2	V252 R253	V252-V255 CarbonylContact O-C 3.58Å; V252-V255 WeakPolarHBondContact O-CA 3.32Å; V252-V255 WeakPolarHBondContact O-CB 3.46Å; V252-V255 PolarHBondContact O-N 3.13Å; R253-V255 PolarHBondContact O-N 3.46Å
256	E	44.6	Very low	51.1	Low	45 Å²	45	117.6 Å²	117.6	21%	0.21	56%	0.561	C	S	.	*	G	3₁₀ helix	trans	-101.6	16.9	-165	-134.9	-172.4	135.3	0	0	114.4	V252 R253 K258 F262	V252-E256 WeakPolarHBondContact O-CB 3.4Å; V252-E256 PolarHBondContact O-N 3.47Å; V252-E256 VanDerWaalsContact O-N 3.14Å; R253-E256 PolarHBondContact O-N 3.4Å; E256-K258 PolarHBondContact O-N 2.97Å; E256-K258 VanDerWaalsContact O-N 3.13Å; E256-F262 VanDerWaalsContact CD-CD1 3.41Å; E256-F262 HydrophobicContact CG-CB 4.36Å; E256-F262 HydrophobicContact CG-CD1 4.5Å; E256-F262 WeakPolarHBondContact OE1-CB 3.38Å; E256-F262 WeakPolarHBondContact OE1-CD1 3.46Å; E256-F262 WeakPolarHBondContact OE1-CG 3.36Å
257	E	46.8	Very low	50.6	Low	196 Å²	196	120.6 Å²	120.6	92%	0.916	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-68.9	-2.6	166.5	-150.3	-179.7	179.7	0	0	111.8
258	K	51.9	Low	50.1	Low	200 Å²	200	120.2 Å²	120.2	87%	0.87	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-121.3	10.3	-172.8	-101.2	-176.7	-179	177.1	0	118.4	E256	E256-K258 PolarHBondContact O-N 2.97Å; E256-K258 VanDerWaalsContact O-N 3.13Å
259	S	48.4	Very low	49.9	Very low	51 Å²	51	121.7 Å²	121.7	36%	0.357	57%	0.572	S	S	.	*			trans	-148.1	111.2	169.4	-172.9	0	0	0	0	114.9	E261 F262	S259-E261 PolarHBondContact O-N 2.89Å; S259-E261 PolarHBondContact OG-N 3.04Å; S259-F262 PolarHBondContact O-N 3.37Å
260	K	50	Low	49.8	Very low	198 Å²	198	120.2 Å²	120.2	86%	0.861	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-11.4	171	-73.8	179	175.7	178.6	0	113.3
261	E	53.5	Low	49.4	Very low	158 Å²	158	117.1 Å²	117.1	74%	0.738	57%	0.567	S	S	*	*	H	α-helix	trans	-78	-17.2	179.5	-67.1	179.9	151.5	0	0	113.5	S259	S259-E261 PolarHBondContact O-N 2.89Å; S259-E261 PolarHBondContact OG-N 3.04Å
262	F	50.9	Low	49.2	Very low	74 Å²	74	112.3 Å²	112.3	33%	0.325	55%	0.549	S	S	.	.	H	α-helix	trans	-86.9	-29.6	-177.9	-164.6	-85.3	0	0	0	113	V252 E256 S259 Q264 K265 V266	V252-F262 HydrophobicContact CG1-CE1 4.29Å; V252-F262 HydrophobicContact CG1-CZ 4.09Å; E256-F262 VanDerWaalsContact CD-CD1 3.41Å; E256-F262 HydrophobicContact CG-CB 4.36Å; E256-F262 HydrophobicContact CG-CD1 4.5Å; E256-F262 WeakPolarHBondContact OE1-CB 3.38Å; E256-F262 WeakPolarHBondContact OE1-CD1 3.46Å; E256-F262 WeakPolarHBondContact OE1-CG 3.36Å; S259-F262 PolarHBondContact O-N 3.37Å; F262-Q264 VanDerWaalsContact C-N 3.34Å; F262-Q264 PolarHBondContact O-N 3.42Å; F262-K265 CarbonylContact O-C 3.57Å; F262-K265 WeakPolarHBondContact O-CB 3.47Å; F262-K265 PolarHBondContact O-N 3.49Å; F262-K265 VanDerWaalsContact O-N 3.13Å; F262-V266 HydrophobicContact CD1-CG2 3.47Å; F262-V266 VanDerWaalsContact CD1-CG2 3.47Å; F262-V266 HydrophobicContact CE1-CG2 3.38Å; F262-V266 HydrophobicContact CZ-CG2 4.36Å; F262-V266 WeakPolarHBondContact O-CG2 3.31Å; F262-V266 PolarHBondContact O-N 2.96Å
263	V	49.1	Very low	49.2	Very low	88 Å²	88	114 Å²	114	53%	0.533	56%	0.556	S	S	.	*	H	α-helix	trans	-60.2	-43.4	176.1	176.8	0	0	0	0	111.3	K265 V266 E267	V263-K265 VanDerWaalsContact C-N 3.34Å; V263-K265 PolarHBondContact O-N 3.28Å; V263-V266 PolarHBondContact O-N 3.09Å; V263-E267 PolarHBondContact O-N 2.98Å; V263-E267 VanDerWaalsContact O-N 3.11Å
264	Q	49.1	Very low	49.4	Very low	140 Å²	140	111.2 Å²	111.2	65%	0.654	55%	0.55	S	S	*	*	H	α-helix	trans	-64.7	-38.6	175.3	-123	171.4	9	0	0	112	F262 V266 E267 E268	F262-Q264 VanDerWaalsContact C-N 3.34Å; F262-Q264 PolarHBondContact O-N 3.42Å; Q264-V266 VanDerWaalsContact C-N 3.28Å; Q264-V266 PolarHBondContact O-N 3.28Å; Q264-E267 PolarHBondContact O-N 3.24Å; Q264-E268 PolarHBondContact O-N 2.74Å
265	K	51.2	Low	49.6	Very low	114 Å²	114	108.9 Å²	108.9	50%	0.496	54%	0.535	S	S	.	.	H	α-helix	trans	-69.4	-24.4	177.5	-149.5	170.3	-166	166.1	0	112.9	F262 V263 K269	F262-K265 CarbonylContact O-C 3.57Å; F262-K265 WeakPolarHBondContact O-CB 3.47Å; F262-K265 PolarHBondContact O-N 3.49Å; F262-K265 VanDerWaalsContact O-N 3.13Å; V263-K265 VanDerWaalsContact C-N 3.34Å; V263-K265 PolarHBondContact O-N 3.28Å; K265-K269 WeakPolarHBondContact O-CB 3.35Å; K265-K269 WeakPolarHBondContact O-CD 3.39Å; K265-K269 WeakPolarHBondContact O-CG 3.37Å; K265-K269 PolarHBondContact O-N 3.43Å; K265-K269 VanDerWaalsContact O-N 3.08Å
266	V	52.2	Low	49.9	Very low	45 Å²	45	108 Å²	108	27%	0.273	52%	0.521	S	S	.	.	H	α-helix	trans	-81.2	-38.3	175.5	171.5	0	0	0	0	111.1	F262 V263 Q264 S270	F262-V266 HydrophobicContact CD1-CG2 3.47Å; F262-V266 VanDerWaalsContact CD1-CG2 3.47Å; F262-V266 HydrophobicContact CE1-CG2 3.38Å; F262-V266 HydrophobicContact CZ-CG2 4.36Å; F262-V266 WeakPolarHBondContact O-CG2 3.31Å; F262-V266 PolarHBondContact O-N 2.96Å; V263-V266 PolarHBondContact O-N 3.09Å; Q264-V266 VanDerWaalsContact C-N 3.28Å; Q264-V266 PolarHBondContact O-N 3.28Å; V266-S270 VanDerWaalsContact O-CB 3.32Å; V266-S270 WeakPolarHBondContact O-CB 3.31Å; V266-S270 PolarHBondContact O-N 3.25Å; V266-S270 PolarHBondContact O-OG 3.08Å
267	E	44.7	Very low	50.4	Low	122 Å²	122	109.7 Å²	109.7	57%	0.57	53%	0.525	S	S	*	.	H	α-helix	trans	-64.2	-48.5	171.2	-78.7	-175.6	153.8	0	0	111	V263 Q264 K269 S270 I271	V263-E267 PolarHBondContact O-N 2.98Å; V263-E267 VanDerWaalsContact O-N 3.11Å; Q264-E267 PolarHBondContact O-N 3.24Å; E267-K269 PolarHBondContact O-N 3.19Å; E267-S270 PolarHBondContact O-N 2.92Å; E267-S270 VanDerWaalsContact O-N 3.13Å; E267-S270 PolarHBondContact O-OG 3.13Å; E267-I271 WeakPolarHBondContact O-CG1 3.33Å; E267-I271 PolarHBondContact O-N 3.29Å
268	E	48.9	Very low	50.7	Low	137 Å²	137	103.5 Å²	103.5	64%	0.64	50%	0.496	S	S	*	.	H	α-helix	trans	-58.9	-43.3	174.4	-82.3	-174.8	151	0	0	112.5	Q264 S270 I271 D272	Q264-E268 PolarHBondContact O-N 2.74Å; E268-S270 VanDerWaalsContact C-N 3.33Å; E268-S270 PolarHBondContact O-N 3.4Å; E268-I271 PolarHBondContact O-N 3.05Å; E268-D272 WeakPolarHBondContact O-CB 3.45Å; E268-D272 PolarHBondContact O-N 3.06Å
269	K	52.3	Low	51	Low	121 Å²	121	98.7 Å²	98.7	53%	0.526	48%	0.477	S	S	.	.	H	α-helix	trans	-69.8	-27.4	176.8	-78.8	176.3	179.7	179.8	0	113.5	K265 E267 L273	K265-K269 WeakPolarHBondContact O-CB 3.35Å; K265-K269 WeakPolarHBondContact O-CD 3.39Å; K265-K269 WeakPolarHBondContact O-CG 3.37Å; K265-K269 PolarHBondContact O-N 3.43Å; K265-K269 VanDerWaalsContact O-N 3.08Å; E267-K269 PolarHBondContact O-N 3.19Å; K269-L273 WeakPolarHBondContact O-CB 3.49Å; K269-L273 PolarHBondContact O-N 3.41Å
270	S	46.7	Very low	51.6	Low	55 Å²	55	102.1 Å²	102.1	39%	0.385	49%	0.485	S	S	.	.	H	α-helix	trans	-71.2	-38.7	174.3	75.9	0	0	0	0	111.1	V266 E267 E268 L273 I274	V266-S270 VanDerWaalsContact O-CB 3.32Å; V266-S270 WeakPolarHBondContact O-CB 3.31Å; V266-S270 PolarHBondContact O-N 3.25Å; V266-S270 PolarHBondContact O-OG 3.08Å; E267-S270 PolarHBondContact O-N 2.92Å; E267-S270 VanDerWaalsContact O-N 3.13Å; E267-S270 PolarHBondContact O-OG 3.13Å; E268-S270 VanDerWaalsContact C-N 3.33Å; E268-S270 PolarHBondContact O-N 3.4Å; S270-L273 PolarHBondContact O-N 3.38Å; S270-I274 WeakPolarHBondContact O-CB 3.37Å; S270-I274 WeakPolarHBondContact O-CD1 3.44Å; S270-I274 WeakPolarHBondContact O-CG1 3.47Å; S270-I274 PolarHBondContact O-N 2.9Å
271	I	47.8	Very low	52	Low	91 Å²	91	93.2 Å²	93.2	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-67.9	-44.1	174.1	-64.8	167.4	0	0	0	110.2	E267 E268 L273 I274 Q275	E267-I271 WeakPolarHBondContact O-CG1 3.33Å; E267-I271 PolarHBondContact O-N 3.29Å; E268-I271 PolarHBondContact O-N 3.05Å; I271-L273 VanDerWaalsContact C-N 3.34Å; I271-L273 PolarHBondContact O-N 3.3Å; I271-I274 PolarHBondContact O-N 3.12Å; I271-Q275 WeakPolarHBondContact O-CB 3.44Å; I271-Q275 WeakPolarHBondContact O-CG 3.32Å; I271-Q275 PolarHBondContact O-N 3.45Å
272	D	49.1	Very low	52.4	Low	63 Å²	63	92.3 Å²	92.3	34%	0.337	44%	0.438	S	S	.	.	H	α-helix	trans	-63.4	-37.1	174.4	-179.2	43.7	0	0	0	112	E268 K276	E268-D272 WeakPolarHBondContact O-CB 3.45Å; E268-D272 PolarHBondContact O-N 3.06Å; D272-K276 VanDerWaalsContact CG-NZ 3.33Å; D272-K276 VanDerWaalsContact O-CB 3.26Å; D272-K276 WeakPolarHBondContact O-CB 3.32Å; D272-K276 VanDerWaalsContact O-CG 3.3Å; D272-K276 WeakPolarHBondContact O-CG 3.38Å; D272-K276 PolarHBondContact O-N 3.42Å; D272-K276 WeakPolarHBondContact OD1-CE 3.5Å; D272-K276 IonicContact OD1-NZ 3.72Å; D272-K276 PolarHBondContact OD1-NZ 3.06Å; D272-K276 VanDerWaalsContact OD1-NZ 3.16Å; D272-K276 IonicContact OD2-NZ 2.65Å; D272-K276 PolarHBondContact OD2-NZ 3.07Å
273	L	48.3	Very low	53.2	Low	88 Å²	88	94.6 Å²	94.6	46%	0.461	45%	0.45	S	S	.	.	H	α-helix	trans	-69.2	-38.7	175.2	-170.7	65.6	0	0	0	111.7	K269 S270 I271 W277	K269-L273 WeakPolarHBondContact O-CB 3.49Å; K269-L273 PolarHBondContact O-N 3.41Å; S270-L273 PolarHBondContact O-N 3.38Å; I271-L273 VanDerWaalsContact C-N 3.34Å; I271-L273 PolarHBondContact O-N 3.3Å; L273-W277 VanDerWaalsContact O-CB 3.31Å; L273-W277 WeakPolarHBondContact O-CB 3.41Å; L273-W277 PolarHBondContact O-N 3.31Å
274	I	49.7	Very low	53.8	Low	76 Å²	76	94.7 Å²	94.7	39%	0.39	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-46.5	174.2	-70.6	163.6	0	0	0	110.1	S270 I271 W277 E278	S270-I274 WeakPolarHBondContact O-CB 3.37Å; S270-I274 WeakPolarHBondContact O-CD1 3.44Å; S270-I274 WeakPolarHBondContact O-CG1 3.47Å; S270-I274 PolarHBondContact O-N 2.9Å; I271-I274 PolarHBondContact O-N 3.12Å; I274-W277 CarbonylContact O-C 3.59Å; I274-W277 PolarHBondContact O-N 3.26Å; I274-W277 VanDerWaalsContact O-N 3.13Å; I274-E278 HydrophobicContact CG2-CG 4.42Å; I274-E278 WeakPolarHBondContact O-CG 3.26Å; I274-E278 PolarHBondContact O-N 3.42Å
275	Q	55.6	Low	54.6	Low	104 Å²	104	88.7 Å²	88.7	49%	0.486	42%	0.416	S	S	.	.	H	α-helix	trans	-62.1	-48	177.6	-75.2	178.1	-0.6	0	0	112	I271 W277 E278 E279	I271-Q275 WeakPolarHBondContact O-CB 3.44Å; I271-Q275 WeakPolarHBondContact O-CG 3.32Å; I271-Q275 PolarHBondContact O-N 3.45Å; Q275-W277 PolarHBondContact O-N 3.31Å; Q275-E278 PolarHBondContact O-N 2.82Å; Q275-E278 VanDerWaalsContact O-N 3.14Å; Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.17Å
276	K	56.9	Low	55.2	Low	102 Å²	102	85.1 Å²	85.1	44%	0.443	41%	0.411	S	S	.	.	H	α-helix	trans	-61.1	-28.2	173.8	-77.9	171.4	177.4	155.7	0	113	D272 K280	D272-K276 VanDerWaalsContact CG-NZ 3.33Å; D272-K276 VanDerWaalsContact O-CB 3.26Å; D272-K276 WeakPolarHBondContact O-CB 3.32Å; D272-K276 VanDerWaalsContact O-CG 3.3Å; D272-K276 WeakPolarHBondContact O-CG 3.38Å; D272-K276 PolarHBondContact O-N 3.42Å; D272-K276 WeakPolarHBondContact OD1-CE 3.5Å; D272-K276 IonicContact OD1-NZ 3.72Å; D272-K276 PolarHBondContact OD1-NZ 3.06Å; D272-K276 VanDerWaalsContact OD1-NZ 3.16Å; D272-K276 IonicContact OD2-NZ 2.65Å; D272-K276 PolarHBondContact OD2-NZ 3.07Å; K276-K280 WeakPolarHBondContact O-CG 3.3Å; K276-K280 PolarHBondContact O-N 2.9Å
277	W	54.4	Low	56.1	Low	80 Å²	80	87.7 Å²	87.7	30%	0.303	42%	0.423	S	S	.	.	H	α-helix	trans	-80.7	-35.9	174.7	-126.2	82	0	0	0	112.8	K238 L273 I274 Q275 E279 K280 S281	K238-W277 HydrophobicContact CD-CZ2 4.28Å; L273-W277 VanDerWaalsContact O-CB 3.31Å; L273-W277 WeakPolarHBondContact O-CB 3.41Å; L273-W277 PolarHBondContact O-N 3.31Å; I274-W277 CarbonylContact O-C 3.59Å; I274-W277 PolarHBondContact O-N 3.26Å; I274-W277 VanDerWaalsContact O-N 3.13Å; Q275-W277 PolarHBondContact O-N 3.31Å; W277-E279 VanDerWaalsContact C-N 3.31Å; W277-K280 CarbonylContact O-C 3.58Å; W277-K280 PolarHBondContact O-N 3.45Å; W277-S281 WeakPolarHBondContact O-CB 3.38Å; W277-S281 PolarHBondContact O-N 2.99Å
278	E	52.8	Low	57.4	Low	67 Å²	67	84.8 Å²	84.8	31%	0.313	41%	0.409	S	S	.	.	H	α-helix	trans	-64.8	-37.8	172.8	-75.3	-171.3	159.6	0	0	111.2	R217 I274 Q275 S281 R282	R217-E278 IonicContact CZ-OE1 3.52Å; R217-E278 IonicContact NH1-OE1 3.16Å; R217-E278 PolarHBondContact NH1-OE1 2.79Å; I274-E278 HydrophobicContact CG2-CG 4.42Å; I274-E278 WeakPolarHBondContact O-CG 3.26Å; I274-E278 PolarHBondContact O-N 3.42Å; Q275-E278 PolarHBondContact O-N 2.82Å; Q275-E278 VanDerWaalsContact O-N 3.14Å; E278-S281 PolarHBondContact O-N 3.14Å; E278-R282 WeakPolarHBondContact O-CG 3.16Å; E278-R282 PolarHBondContact O-N 2.88Å
279	E	59.3	Low	58.4	Low	99 Å²	99	79.9 Å²	79.9	46%	0.463	39%	0.387	S	S	.	.	H	α-helix	trans	-59.5	-48.9	168.5	-73.1	173.7	174.3	0	0	111.3	Q275 W277 S281 R282 E283	Q275-E279 WeakPolarHBondContact O-CG 3.43Å; Q275-E279 PolarHBondContact O-N 3.17Å; W277-E279 VanDerWaalsContact C-N 3.31Å; E279-S281 VanDerWaalsContact C-N 3.33Å; E279-S281 PolarHBondContact O-N 2.8Å; E279-R282 WeakPolarHBondContact O-CB 3.32Å; E279-R282 PolarHBondContact O-N 2.84Å; E279-E283 WeakPolarHBondContact O-CG 3.41Å; E279-E283 PolarHBondContact O-N 3.26Å
280	K	61.5	Low	59.4	Low	122 Å²	122	76.9 Å²	76.9	53%	0.53	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-30.9	176.1	-77.6	-177.4	177.7	-176.3	0	114.2	K276 W277 F284	K276-K280 WeakPolarHBondContact O-CG 3.3Å; K276-K280 PolarHBondContact O-N 2.9Å; W277-K280 CarbonylContact O-C 3.58Å; W277-K280 PolarHBondContact O-N 3.45Å; K280-F284 VanDerWaalsContact O-CB 3.32Å; K280-F284 WeakPolarHBondContact O-CB 3.38Å; K280-F284 PolarHBondContact O-N 2.99Å
281	S	57.5	Low	60.5	Low	12 Å²	12	77.5 Å²	77.5	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-70.3	-42	174.8	177.2	0	0	0	0	110.2	D213 W277 E278 E279 E283 F284 I285	D213-S281 PolarHBondContact OD1-OG 3.26Å; D213-S281 PolarHBondContact OD2-OG 3.25Å; D213-S281 VanDerWaalsContact OD2-OG 3.04Å; W277-S281 WeakPolarHBondContact O-CB 3.38Å; W277-S281 PolarHBondContact O-N 2.99Å; E278-S281 PolarHBondContact O-N 3.14Å; E279-S281 VanDerWaalsContact C-N 3.33Å; E279-S281 PolarHBondContact O-N 2.8Å; S281-E283 VanDerWaalsContact C-N 3.33Å; S281-E283 PolarHBondContact O-N 3.24Å; S281-F284 WeakPolarHBondContact O-CB 3.43Å; S281-F284 PolarHBondContact O-N 3.13Å; S281-F284 VanDerWaalsContact O-N 3.16Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.22Å; S281-I285 PolarHBondContact O-N 2.83Å
282	R	62.8	Low	61.6	Low	138 Å²	138	74.5 Å²	74.5	52%	0.521	36%	0.356	S	S	.	.	H	α-helix	trans	-59.1	-43.9	171.2	-73.5	-174.2	-67.6	-94.7	10.5	111.8	E278 E279 I285 G286	E278-R282 WeakPolarHBondContact O-CG 3.16Å; E278-R282 PolarHBondContact O-N 2.88Å; E279-R282 WeakPolarHBondContact O-CB 3.32Å; E279-R282 PolarHBondContact O-N 2.84Å; R282-I285 PolarHBondContact O-N 3.15Å; R282-G286 PolarHBondContact O-N 3.3Å
283	E	67.2	Low	62.1	Low	122 Å²	122	72.2 Å²	72.2	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-63	-41.3	173.5	-71.4	175.3	175.6	0	0	112.3	E279 S281 G286 N287	E279-E283 WeakPolarHBondContact O-CG 3.41Å; E279-E283 PolarHBondContact O-N 3.26Å; S281-E283 VanDerWaalsContact C-N 3.33Å; S281-E283 PolarHBondContact O-N 3.24Å; E283-G286 PolarHBondContact O-N 2.71Å; E283-N287 WeakPolarHBondContact O-CB 3.2Å; E283-N287 PolarHBondContact O-N 3.46Å; E283-N287 PolarHBondContact O-ND2 3.33Å; E283-N287 VanDerWaalsContact O-ND2 3.12Å
284	F	62.6	Low	62.3	Low	91 Å²	91	72.3 Å²	72.3	40%	0.399	35%	0.353	S	S	.	.	H	α-helix	trans	-63.3	-44	177.3	179.9	-97.4	0	0	0	112.1	I234 K280 S281 G286 N287 F288	I234-F284 HydrophobicContact CD1-CE2 4Å; I234-F284 HydrophobicContact CD1-CZ 3.6Å; K280-F284 VanDerWaalsContact O-CB 3.32Å; K280-F284 WeakPolarHBondContact O-CB 3.38Å; K280-F284 PolarHBondContact O-N 2.99Å; S281-F284 WeakPolarHBondContact O-CB 3.43Å; S281-F284 PolarHBondContact O-N 3.13Å; S281-F284 VanDerWaalsContact O-N 3.16Å; F284-G286 VanDerWaalsContact C-N 3.33Å; F284-G286 PolarHBondContact O-N 3.16Å; F284-N287 PolarHBondContact O-N 3.33Å; F284-F288 WeakPolarHBondContact O-CB 3.32Å; F284-F288 PolarHBondContact O-N 3.2Å
285	I	65.6	Low	62.3	Low	14 Å²	14	75 Å²	75	7%	0.072	37%	0.365	C	S	.	.	H	α-helix	trans	-61.3	-44.3	174.8	-66.3	165.7	0	0	0	110	T206 V209 R210 S281 R282 N287 F288 L289	T206-I285 HydrophobicContact CG2-CG2 4.09Å; V209-I285 HydrophobicContact CG1-CG1 3.83Å; R210-I285 HydrophobicContact CB-CD1 4.33Å; S281-I285 VanDerWaalsContact O-CG1 3.28Å; S281-I285 WeakPolarHBondContact O-CG1 3.22Å; S281-I285 PolarHBondContact O-N 2.83Å; R282-I285 PolarHBondContact O-N 3.15Å; I285-N287 VanDerWaalsContact C-N 3.34Å; I285-N287 PolarHBondContact O-N 3.27Å; I285-F288 PolarHBondContact O-N 3.14Å; I285-L289 HydrophobicContact CG2-CD1 3.83Å; I285-L289 HydrophobicContact CG2-CG 4.32Å; I285-L289 WeakPolarHBondContact O-CB 3.3Å; I285-L289 VanDerWaalsContact O-CG 3.24Å; I285-L289 WeakPolarHBondContact O-CG 3.2Å; I285-L289 PolarHBondContact O-N 3.41Å
286	G	63.8	Low	62.1	Low	39 Å²	39	70.5 Å²	70.5	40%	0.402	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-44.8	174.8	0	0	0	0	0	112.7	R282 E283 F284 L289 Q290	R282-G286 PolarHBondContact O-N 3.3Å; E283-G286 PolarHBondContact O-N 2.71Å; F284-G286 VanDerWaalsContact C-N 3.33Å; F284-G286 PolarHBondContact O-N 3.16Å; G286-L289 PolarHBondContact O-N 2.93Å; G286-Q290 PolarHBondContact O-N 2.85Å
287	N	70.8	Confident	61.8	Low	99 Å²	99	66.1 Å²	66.1	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-67.1	-39	177.5	-69.9	-33.5	0	0	0	112.6	E283 F284 I285 Q290	E283-N287 WeakPolarHBondContact O-CB 3.2Å; E283-N287 PolarHBondContact O-N 3.46Å; E283-N287 PolarHBondContact O-ND2 3.33Å; E283-N287 VanDerWaalsContact O-ND2 3.12Å; F284-N287 PolarHBondContact O-N 3.33Å; I285-N287 VanDerWaalsContact C-N 3.34Å; I285-N287 PolarHBondContact O-N 3.27Å; N287-Q290 WeakPolarHBondContact O-CB 3.48Å; N287-Q290 PolarHBondContact O-N 2.99Å
288	F	71.1	Confident	61.4	Low	60 Å²	60	67.8 Å²	67.8	26%	0.263	34%	0.343	S	S	.	.	H	α-helix	trans	-65.2	-45.1	175.9	179.8	-101.7	0	0	0	111.1	I205 V209 F284 I285 Q290 M291 F292	I205-F288 HydrophobicContact CG2-CD1 4.2Å; I205-F288 HydrophobicContact CG2-CE1 3.62Å; V209-F288 HydrophobicContact CG2-CD1 3.96Å; V209-F288 HydrophobicContact CG2-CE1 3.69Å; F284-F288 WeakPolarHBondContact O-CB 3.32Å; F284-F288 PolarHBondContact O-N 3.2Å; I285-F288 PolarHBondContact O-N 3.14Å; F288-Q290 VanDerWaalsContact C-N 3.25Å; F288-Q290 PolarHBondContact O-N 3.39Å; F288-M291 HydrophobicContact CD2-SD 4.15Å; F288-M291 WeakPolarHBondContact O-CB 3.45Å; F288-M291 WeakPolarHBondContact O-CG 2.9Å; F288-M291 PolarHBondContact O-N 3.46Å; F288-F292 AromaticContact CD1-CE2 3.95Å; F288-F292 HydrophobicContact CD1-CE2 3.95Å; F288-F292 HydrophobicContact CD2-CE2 4.41Å; F288-F292 HydrophobicContact CE1-CD2 4.3Å; F288-F292 AromaticContact CE1-CE2 3.43Å; F288-F292 HydrophobicContact CE1-CE2 3.43Å; F288-F292 VanDerWaalsContact CE1-CE2 3.43Å; F288-F292 HydrophobicContact CE1-CZ 4.06Å; F288-F292 AromaticContact CE2-CE2 3.94Å; F288-F292 HydrophobicContact CE2-CE2 3.94Å; F288-F292 HydrophobicContact CE2-CZ 4.42Å; F288-F292 HydrophobicContact CG-CE2 4.42Å; F288-F292 AromaticContact CZ-CE2 3.43Å; F288-F292 HydrophobicContact CZ-CE2 3.43Å; F288-F292 VanDerWaalsContact CZ-CE2 3.43Å; F288-F292 AromaticContact CZ-CZ 3.77Å; F288-F292 HydrophobicContact CZ-CZ 3.77Å; F288-F292 WeakPolarHBondContact O-CD2 3.34Å
289	L	70.2	Confident	61.1	Low	34 Å²	34	70.4 Å²	70.4	18%	0.178	35%	0.353	C	S	.	.	H	α-helix	trans	-64.3	-31.9	177	-69.5	168.5	0	0	0	112.5	S202 I205 T206 I285 G286 M291 F292 G293	S202-L289 WeakPolarHBondContact O-CD2 3.47Å; I205-L289 HydrophobicContact CB-CD2 4.24Å; I205-L289 HydrophobicContact CG2-CD2 3.88Å; T206-L289 HydrophobicContact CG2-CD1 4.28Å; T206-L289 WeakPolarHBondContact OG1-CD1 3.38Å; T206-L289 WeakPolarHBondContact OG1-CD2 3.4Å; I285-L289 HydrophobicContact CG2-CD1 3.83Å; I285-L289 HydrophobicContact CG2-CG 4.32Å; I285-L289 WeakPolarHBondContact O-CB 3.3Å; I285-L289 VanDerWaalsContact O-CG 3.24Å; I285-L289 WeakPolarHBondContact O-CG 3.2Å; I285-L289 PolarHBondContact O-N 3.41Å; G286-L289 PolarHBondContact O-N 2.93Å; L289-M291 PolarHBondContact O-N 3.33Å; L289-F292 PolarHBondContact O-N 3.45Å; L289-G293 PolarHBondContact O-N 2.86Å
290	Q	72.8	Confident	60.4	Low	58 Å²	58	69.5 Å²	69.5	27%	0.271	35%	0.349	S	S	.	.	H	α-helix	trans	-56.5	-34.2	173.2	-171.5	166.9	45.1	0	0	110.8	G286 N287 F288 F292 G293 E295 G296	G286-Q290 PolarHBondContact O-N 2.85Å; N287-Q290 WeakPolarHBondContact O-CB 3.48Å; N287-Q290 PolarHBondContact O-N 2.99Å; F288-Q290 VanDerWaalsContact C-N 3.25Å; F288-Q290 PolarHBondContact O-N 3.39Å; Q290-F292 PolarHBondContact O-N 3.13Å; Q290-F292 VanDerWaalsContact O-N 3.17Å; Q290-G293 PolarHBondContact O-N 2.89Å; Q290-G293 VanDerWaalsContact O-O 3.08Å; Q290-E295 HydrophobicContact CG-CB 4.3Å; Q290-G296 WeakPolarHBondContact O-CA 3.45Å; Q290-G296 PolarHBondContact O-N 3.38Å
291	M	70.8	Confident	59.4	Low	69 Å²	69	69.2 Å²	69.2	34%	0.34	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.5	177.2	-55.5	178.6	58.1	0	0	114	G122 F123 F288 L289	G122-M291 WeakPolarHBondContact CA-O 3.38Å; F123-M291 HydrophobicContact CD2-CB 4Å; F123-M291 HydrophobicContact CD2-CE 3.92Å; F123-M291 WeakPolarHBondContact CD2-O 3.44Å; F123-M291 HydrophobicContact CE2-CE 3.69Å; F123-M291 PolarHBondContact N-O 3.03Å; F288-M291 HydrophobicContact CD2-SD 4.15Å; F288-M291 WeakPolarHBondContact O-CB 3.45Å; F288-M291 WeakPolarHBondContact O-CG 2.9Å; F288-M291 PolarHBondContact O-N 3.46Å; L289-M291 PolarHBondContact O-N 3.33Å
292	F	71	Confident	58.7	Low	27 Å²	27	73 Å²	73	12%	0.118	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-0.8	177.8	-62.2	-93	0	0	0	112.8	F123 V125 I205 F288 L289 Q290	F123-F292 HydrophobicContact CB-CD1 4.25Å; F123-F292 HydrophobicContact CB-CE1 4.09Å; F123-F292 VanDerWaalsContact O-CD1 3.23Å; F123-F292 WeakPolarHBondContact O-CD1 3.34Å; V125-F292 HydrophobicContact CG2-CD1 4.38Å; V125-F292 HydrophobicContact CG2-CE1 3.61Å; V125-F292 HydrophobicContact CG2-CZ 4.2Å; I205-F292 HydrophobicContact CD1-CD1 3.85Å; I205-F292 HydrophobicContact CD1-CD2 4.49Å; I205-F292 HydrophobicContact CD1-CE1 4.05Å; I205-F292 HydrophobicContact CD1-CG 4.1Å; I205-F292 HydrophobicContact CD1-CZ 4.46Å; F288-F292 AromaticContact CD1-CE2 3.95Å; F288-F292 HydrophobicContact CD1-CE2 3.95Å; F288-F292 HydrophobicContact CD2-CE2 4.41Å; F288-F292 HydrophobicContact CE1-CD2 4.3Å; F288-F292 AromaticContact CE1-CE2 3.43Å; F288-F292 HydrophobicContact CE1-CE2 3.43Å; F288-F292 VanDerWaalsContact CE1-CE2 3.43Å; F288-F292 HydrophobicContact CE1-CZ 4.06Å; F288-F292 AromaticContact CE2-CE2 3.94Å; F288-F292 HydrophobicContact CE2-CE2 3.94Å; F288-F292 HydrophobicContact CE2-CZ 4.42Å; F288-F292 HydrophobicContact CG-CE2 4.42Å; F288-F292 AromaticContact CZ-CE2 3.43Å; F288-F292 HydrophobicContact CZ-CE2 3.43Å; F288-F292 VanDerWaalsContact CZ-CE2 3.43Å; F288-F292 AromaticContact CZ-CZ 3.77Å; F288-F292 HydrophobicContact CZ-CZ 3.77Å; F288-F292 WeakPolarHBondContact O-CD2 3.34Å; L289-F292 PolarHBondContact O-N 3.45Å; Q290-F292 PolarHBondContact O-N 3.13Å; Q290-F292 VanDerWaalsContact O-N 3.17Å
293	G	58.5	Low	57.7	Low	16 Å²	16	74.6 Å²	74.6	17%	0.165	38%	0.38	C	S	.	.	S	Bend	trans	-116	162.4	-178.2	0	0	0	0	0	113.3	K121 L289 Q290 E295 G296	K121-G293 CarbonylContact O-C 3.56Å; L289-G293 PolarHBondContact O-N 2.86Å; Q290-G293 PolarHBondContact O-N 2.89Å; Q290-G293 VanDerWaalsContact O-O 3.08Å; G293-E295 PolarHBondContact O-N 2.86Å; G293-G296 PolarHBondContact O-N 3.05Å
294	P	52.6	Low	56.5	Low	89 Å²	89	75 Å²	75	58%	0.578	38%	0.382	S	S	*	.	H	α-helix	trans	-54.2	-27	-170.3	17.1	-29.8	0	0	0	115.2	K121	K121-P294 VanDerWaalsContact O-CA 3.32Å; K121-P294 WeakPolarHBondContact O-CA 3.32Å
295	E	51.5	Low	55.4	Low	134 Å²	134	73.3 Å²	73.3	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-83.4	-20.3	179.9	-73.4	-88	155.4	0	0	114.3	Q290 G293	Q290-E295 HydrophobicContact CG-CB 4.3Å; G293-E295 PolarHBondContact O-N 2.86Å
296	G	49.4	Very low	53.9	Low	8 Å²	8	80.8 Å²	80.8	8%	0.082	42%	0.423	C	S	.	.	H	α-helix	trans	-88.4	-32.3	-173.6	0	0	0	0	0	115.5	Q290 G293 L298 K299 H300	Q290-G296 WeakPolarHBondContact O-CA 3.45Å; Q290-G296 PolarHBondContact O-N 3.38Å; G293-G296 PolarHBondContact O-N 3.05Å; G296-L298 VanDerWaalsContact C-N 3.34Å; G296-L298 PolarHBondContact O-N 2.95Å; G296-K299 PolarHBondContact O-N 3.23Å; G296-H300 PolarHBondContact O-N 3.11Å; G296-H300 VanDerWaalsContact O-N 3.12Å
297	A	50.9	Low	52.8	Low	11 Å²	11	81.9 Å²	81.9	9%	0.091	43%	0.434	C	S	.	.	H	α-helix	trans	-59.2	-46.6	174.5	0	0	0	0	0	111.2	K299 H300 M301	A297-K299 PolarHBondContact O-N 2.7Å; A297-H300 PolarHBondContact O-N 3.49Å; A297-M301 PolarHBondContact O-N 3.39Å
298	L	46.5	Very low	51.5	Low	115 Å²	115	87.9 Å²	87.9	60%	0.602	45%	0.449	S	S	*	.	H	α-helix	trans	-64	-41.9	-178.3	-134.8	104.2	0	0	0	111.9	G296 H300 L302	G296-L298 VanDerWaalsContact C-N 3.34Å; G296-L298 PolarHBondContact O-N 2.95Å; L298-H300 VanDerWaalsContact C-N 3.35Å; L298-H300 PolarHBondContact O-N 3.37Å; L298-L302 HydrophobicContact CD2-CD1 3.94Å; L298-L302 HydrophobicContact CG-CD1 4.45Å; L298-L302 VanDerWaalsContact O-CB 3.31Å; L298-L302 WeakPolarHBondContact O-CB 3.14Å; L298-L302 PolarHBondContact O-N 3.13Å
299	K	46.3	Very low	50	Low	122 Å²	122	92.8 Å²	92.8	53%	0.53	48%	0.475	S	S	.	.	H	α-helix	trans	-64.7	-36	176.2	-89.8	-175.1	-178.1	174.6	0	112.4	G296 A297 K303	G296-K299 PolarHBondContact O-N 3.23Å; A297-K299 PolarHBondContact O-N 2.7Å; K299-K303 WeakPolarHBondContact O-CB 3.44Å; K299-K303 PolarHBondContact O-N 3.14Å; K299-K303 VanDerWaalsContact O-N 3.13Å
300	H	44.2	Very low	48.2	Very low	79 Å²	79	99.2 Å²	99.2	37%	0.366	51%	0.509	S	S	.	.	H	α-helix	trans	-72.1	-45.4	177.9	-161	-88.8	0	0	0	111.5	G296 A297 L298 L302 K303 E304	G296-H300 PolarHBondContact O-N 3.11Å; G296-H300 VanDerWaalsContact O-N 3.12Å; A297-H300 PolarHBondContact O-N 3.49Å; L298-H300 VanDerWaalsContact C-N 3.35Å; L298-H300 PolarHBondContact O-N 3.37Å; H300-L302 PolarHBondContact O-N 2.93Å; H300-K303 PolarHBondContact O-N 3.24Å; H300-K303 VanDerWaalsContact O-N 3.09Å; H300-E304 VanDerWaalsContact CE1-CD 3.44Å; H300-E304 IonicContact CE1-OE1 3.1Å; H300-E304 PolarHBondContact CE1-OE1 3.37Å; H300-E304 VanDerWaalsContact CE1-OE1 3.3Å; H300-E304 IonicContact CE1-OE2 2.62Å; H300-E304 IonicContact ND1-OE1 3.11Å; H300-E304 IonicContact ND1-OE2 3.64Å; H300-E304 PolarHBondContact ND1-OE2 3.42Å; H300-E304 PolarHBondContact O-N 3.42Å
301	M	41.4	Very low	46.2	Very low	117 Å²	117	106 Å²	106	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-62.2	-41	175.6	-77.2	-171.8	70.3	0	0	112.8	A297 K303 E304 G305	A297-M301 PolarHBondContact O-N 3.39Å; M301-K303 VanDerWaalsContact C-N 3.27Å; M301-K303 PolarHBondContact O-N 3.08Å; M301-E304 PolarHBondContact O-N 3.4Å; M301-G305 PolarHBondContact O-N 3.13Å
302	L	43.1	Very low	44.2	Very low	92 Å²	92	107 Å²	107	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-68.3	-25.4	174.7	-88.9	153.3	0	0	0	113	L298 H300 K306	L298-L302 HydrophobicContact CD2-CD1 3.94Å; L298-L302 HydrophobicContact CG-CD1 4.45Å; L298-L302 VanDerWaalsContact O-CB 3.31Å; L298-L302 WeakPolarHBondContact O-CB 3.14Å; L298-L302 PolarHBondContact O-N 3.13Å; H300-L302 PolarHBondContact O-N 2.93Å; L302-K306 WeakPolarHBondContact O-CB 3.34Å; L302-K306 VanDerWaalsContact O-CG 3.31Å; L302-K306 WeakPolarHBondContact O-CG 3.22Å; L302-K306 PolarHBondContact O-N 3.45Å
303	K	42.1	Very low	42.3	Very low	171 Å²	171	113.2 Å²	113.2	74%	0.743	59%	0.592	S	S	*	*	H	α-helix	trans	-83	-32.2	177.7	-159.1	175.9	-174.9	-174.8	0	111.9	K299 H300 M301	K299-K303 WeakPolarHBondContact O-CB 3.44Å; K299-K303 PolarHBondContact O-N 3.14Å; K299-K303 VanDerWaalsContact O-N 3.13Å; H300-K303 PolarHBondContact O-N 3.24Å; H300-K303 VanDerWaalsContact O-N 3.09Å; M301-K303 VanDerWaalsContact C-N 3.27Å; M301-K303 PolarHBondContact O-N 3.08Å
304	E	41.7	Very low	40.8	Very low	129 Å²	129	117.9 Å²	117.9	60%	0.603	62%	0.622	S	S	*	*	H	α-helix	trans	-74.2	-36.5	169.4	-75	179.8	145.6	0	0	112.2	H300 M301 K306	H300-E304 VanDerWaalsContact CE1-CD 3.44Å; H300-E304 IonicContact CE1-OE1 3.1Å; H300-E304 PolarHBondContact CE1-OE1 3.37Å; H300-E304 VanDerWaalsContact CE1-OE1 3.3Å; H300-E304 IonicContact CE1-OE2 2.62Å; H300-E304 IonicContact ND1-OE1 3.11Å; H300-E304 IonicContact ND1-OE2 3.64Å; H300-E304 PolarHBondContact ND1-OE2 3.42Å; H300-E304 PolarHBondContact O-N 3.42Å; M301-E304 PolarHBondContact O-N 3.4Å; E304-K306 PolarHBondContact O-N 2.95Å
305	G	39.8	Very low	39.8	Very low	57 Å²	57	119.6 Å²	119.6	59%	0.588	63%	0.634	S	S	*	*	H	α-helix	trans	-73.6	-21.4	178	0	0	0	0	0	115.3	M301	M301-G305 PolarHBondContact O-N 3.13Å
306	K	34	Very low	38.8	Very low	170 Å²	170	123.5 Å²	123.5	74%	0.739	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-0	177.1	-73.8	-179.2	176.5	-178.3	0	114.3	L302 E304	L302-K306 WeakPolarHBondContact O-CB 3.34Å; L302-K306 VanDerWaalsContact O-CG 3.31Å; L302-K306 WeakPolarHBondContact O-CG 3.22Å; L302-K306 PolarHBondContact O-N 3.45Å; E304-K306 PolarHBondContact O-N 2.95Å
307	G	39.8	Very low	37.7	Very low	62 Å²	62	131.2 Å²	131.2	64%	0.639	68%	0.676	S	S	*	*	S	Bend	trans	-96	-3.6	-179.6	0	0	0	0	0	115.6
308	R	44.3	Very low	36.9	Very low	225 Å²	225	136.1 Å²	136.1	85%	0.849	71%	0.71	S	S	*	*	S	Bend	trans	-136.4	60.8	-177.7	-70.5	-173.6	174.7	-175.8	0.3	112.2
309	M	38.5	Very low	36.4	Very low	164 Å²	164	136.3 Å²	136.3	81%	0.808	72%	0.718	S	S	*	*	S	Bend	trans	-167.6	138.5	153.9	-108.7	-170.3	-47.8	0	0	109.1
310	L	32.4	Very low	35.5	Very low	169 Å²	169	137.9 Å²	137.9	89%	0.885	73%	0.733	S	S	*	*	S	Bend	trans	84.6	76.5	173.3	-50.1	170	0	0	0	116.6
311	Q	32.2	Very low	34.7	Very low	200 Å²	200	139.1 Å²	139.1	94%	0.935	75%	0.75	S	S	*	*				-175	97.2	111.6	-122.3	172.7	-3	0	0	111.2
312	A	27.9	Very low	34.1	Very low	89 Å²	89	139 Å²	139	74%	0.736	76%	0.76	S	S	*	*	S	Bend	trans	-154.3	94.6	152.1	0	0	0	0	0	109.4
313	I	30.2	Very low	33.9	Very low	159 Å²	159	140 Å²	140	82%	0.815	77%	0.772	S	S	*	*			trans	51.8	102	139.7	-17.4	-179.4	0	0	0	117.6
314	S	27.5	Very low	33.2	Very low	114 Å²	114	136.8 Å²	136.8	80%	0.797	77%	0.772	S	S	*	*			trans	-75.7	144.6	149.9	-65	0	0	0	0	109.8
315	P	31.2	Very low	32.6	Very low	125 Å²	125	141.8 Å²	141.8	81%	0.812	79%	0.785	S	S	*	*				-132.7	159.1	108.1	22	-3.7	0	0	0	113.8
316	R	30.6	Very low	32.1	Very low	215 Å²	215	145.6 Å²	145.6	81%	0.811	79%	0.792	S	S	*	*			trans	-86.7	146.2	-173.1	-78.8	178.8	170.6	-112.3	0	113.6
317	Q	28.1	Very low	31.9	Very low	170 Å²	170	146.3 Å²	146.3	79%	0.794	80%	0.798	S	S	*	*			trans	80.7	132.1	140.1	-76.5	177.5	11.7	0	0	122.3
318	S	33.3	Very low	31.4	Very low	114 Å²	114	154 Å²	154	80%	0.797	81%	0.808	S	S	*	*			trans	-76.7	179.4	-173.7	-26.6	0	0	0	0	113.8
319	P	36.5	Very low	31	Very low	120 Å²	120	148.8 Å²	148.8	78%	0.779	81%	0.806	S	S	*	*				-153	166.2	60.4	39.3	-16.8	0	0	0	119.6
320	N	26.2	Very low	31	Very low	155 Å²	155	146.9 Å²	146.9	83%	0.829	81%	0.805	S	S	*	*			trans	114.8	137.2	131.6	-132	17.9	0	0	0	119.9
321	S	27.6	Very low	31	Very low	105 Å²	105	144 Å²	144	73%	0.734	80%	0.799	S	S	*	*			trans	90.2	110.3	157.2	-39.2	0	0	0	0	119.8
322	S	29.8	Very low	31	Very low	113 Å²	113	140.1 Å²	140.1	79%	0.79	79%	0.792	S	S	*	*			trans	-72.4	173.3	156.6	37.9	0	0	0	0	111.2
323	P	38.5	Very low	31.3	Very low	113 Å²	113	142.1 Å²	142.1	73%	0.734	80%	0.795	S	S	*	*			cis	-146.9	172.5	26.4	40.5	-18	0	0	0	119.8
324	S	27.7	Very low	31.4	Very low	105 Å²	105	144.2 Å²	144.2	73%	0.734	80%	0.798	S	S	*	*			trans	48.2	123.4	146.6	65.9	0	0	0	0	122.7
325	R	29.1	Very low	31.6	Very low	234 Å²	234	149.7 Å²	149.7	88%	0.883	80%	0.801	S	S	*	*				171	159.1	105.2	-115.2	176.8	142	179.1	-6.3	113.2
326	D	29.2	Very low	31.7	Very low	136 Å²	136	151.7 Å²	151.7	73%	0.727	80%	0.804	S	S	*	*			trans	-49.3	142.5	-179.2	-51.5	-78.4	0	0	0	116.6
327	E	30.2	Very low	31.8	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	80%	0.797	S	S	*	*				168.3	140.9	109.2	-91.1	-134.7	110.6	0	0	113.8
328	R	28.7	Very low	32.1	Very low	225 Å²	225	147.3 Å²	147.3	85%	0.849	80%	0.799	S	S	*	*			trans	-44.5	137.2	168.8	-165.9	-179.1	-156	-169.8	3.7	115.3
329	S	35.6	Very low	32	Very low	115 Å²	115	152 Å²	152	80%	0.804	81%	0.806	S	S	*	*			trans	170.1	158.5	130.8	-80.6	0	0	0	0	114
330	P	37.5	Very low	31.9	Very low	123 Å²	123	151.7 Å²	151.7	80%	0.799	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-101.8	168.1	-145	38.7	-34.3	0	0	0	116.3
331	S	33.1	Very low	32.1	Very low	108 Å²	108	154 Å²	154	76%	0.755	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-56.3	146.6	-179.1	-46.1	0	0	0	0	115.5
332	P	32.8	Very low	32.5	Very low	120 Å²	120	155.3 Å²	155.3	78%	0.779	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81.9	131.3	176.6	32.1	-30.9	0	0	0	112
333	T	32.8	Very low	33	Very low	130 Å²	130	155.1 Å²	155.1	80%	0.798	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-75.9	119.8	170.7	-50.9	0	0	0	0	110.5	R335	T333-R335 PolarHBondContact O-N 3.22Å
334	F	32.3	Very low	33.2	Very low	203 Å²	203	155.4 Å²	155.4	89%	0.89	81%	0.813	S	S	*	*			trans	-78.2	115.3	166	-104.1	-96.5	0	0	0	109.7
335	R	32	Very low	34	Very low	229 Å²	229	156 Å²	156	86%	0.864	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-91.9	128.2	166.4	-76	-172.7	-178	-171.4	2.1	109.4	T333	T333-R335 PolarHBondContact O-N 3.22Å
336	L	34.7	Very low	34.6	Very low	167 Å²	167	151 Å²	151	87%	0.874	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.2	139	163.6	-71.6	165.6	0	0	0	109.4
337	P	32.1	Very low	35.2	Very low	101 Å²	101	150 Å²	150	66%	0.656	82%	0.816	S	S	*	*	S	Bend	trans	-78.5	159.3	176	34.2	-30.8	0	0	0	109.6
338	F	34.7	Very low	35.8	Very low	193 Å²	193	146.7 Å²	146.7	85%	0.846	81%	0.811	S	S	*	*			trans	99.7	62.8	-177.7	-56.3	-69.4	0	0	0	116.3
339	F	30.8	Very low	36.5	Very low	213 Å²	213	142 Å²	142	93%	0.934	81%	0.809	S	S	*	*			trans	-146.3	93.4	141.4	-87.1	-78.2	0	0	0	108.4	K341	F339-K341 PolarHBondContact O-N 3.47Å
340	S	33.6	Very low	36.4	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	81%	0.811	S	S	*	*			trans	-78.8	111.5	161.8	50.4	0	0	0	0	108.1	T342	S340-T342 PolarHBondContact O-N 3.31Å
341	K	31.3	Very low	36.3	Very low	202 Å²	202	145.5 Å²	145.5	88%	0.878	81%	0.813	S	S	*	*			trans	-62.1	123.5	167.3	-72.1	178	174.2	-178.1	0	109.2	F339	F339-K341 PolarHBondContact O-N 3.47Å
342	T	35.2	Very low	36.2	Very low	133 Å²	133	146.5 Å²	146.5	82%	0.816	82%	0.82	S	S	*	*			trans	-116.5	111.5	160.3	46.6	0	0	0	0	108	S340	S340-T342 PolarHBondContact O-N 3.31Å
343	S	40.3	Very low	36.1	Very low	110 Å²	110	144.5 Å²	144.5	77%	0.769	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-72.5	151	170.3	-52	0	0	0	0	110.7
344	P	43.8	Very low	35.9	Very low	118 Å²	118	143 Å²	143	77%	0.766	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-80.6	155.6	175.2	32.4	-31.8	0	0	0	112.2
345	P	44.5	Very low	35.8	Very low	119 Å²	119	143.7 Å²	143.7	77%	0.773	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-82.2	162	-179.9	33.5	-33.3	0	0	0	113.1
346	P	42.2	Very low	35.6	Very low	127 Å²	127	135.8 Å²	135.8	83%	0.825	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-85.4	152.2	-172.8	34.1	-33.8	0	0	0	113.9
347	S	41	Very low	35.4	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77.4	149.7	176.5	-48.3	0	0	0	0	113.2
348	P	43.7	Very low	35.3	Very low	116 Å²	116	138.8 Å²	138.8	75%	0.753	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.2	163.2	178.7	33.4	-31.9	0	0	0	113.7
349	P	42.1	Very low	35.2	Very low	125 Å²	125	136.7 Å²	136.7	81%	0.812	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-89.1	147.9	-165	34.9	-33.2	0	0	0	114.1
350	H	33.8	Very low	35.2	Very low	183 Å²	183	131.9 Å²	131.9	85%	0.847	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-87.8	137.6	166	-74.1	-83.3	0	0	0	110.8
351	P	36	Very low	35.4	Very low	130 Å²	130	134.6 Å²	134.6	84%	0.844	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-87.8	135.1	168.5	32.8	-28.4	0	0	0	111.1
352	S	31	Very low	35.5	Very low	128 Å²	128	131.6 Å²	131.6	90%	0.895	79%	0.789	S	S	*	*			trans	-108.1	146.2	169.7	46.8	0	0	0	0	111.1
353	G	29.6	Very low	35.5	Very low	79 Å²	79	131.3 Å²	131.3	81%	0.814	78%	0.783	S	S	*	*			trans	156.3	128.2	172.1	0	0	0	0	0	107.9
354	A	29.4	Very low	35.3	Very low	97 Å²	97	132.9 Å²	132.9	80%	0.802	78%	0.783	S	S	*	*			cis	-157.9	138.7	23.4	0	0	0	0	0	106.7
355	R	30.9	Very low	35	Very low	219 Å²	219	135.7 Å²	135.7	83%	0.826	79%	0.785	S	S	*	*				96.1	126.5	74.4	-162.6	-178.9	-165.6	-177.5	3.1	112.3	Y357	R355-Y357 HydrophobicContact CG-CE2 4.37Å
356	G	27.6	Very low	34.7	Very low	62 Å²	62	137 Å²	137	64%	0.639	79%	0.786	S	S	*	*			trans	143.1	83	168.8	0	0	0	0	0	111.4
357	Y	30.1	Very low	34.6	Very low	182 Å²	182	138.7 Å²	138.7	71%	0.714	79%	0.788	S	S	*	*				60.3	134.4	94.9	-73	-67.9	0	0	0	112.2	R355	R355-Y357 HydrophobicContact CG-CE2 4.37Å
358	L	29.4	Very low	34.7	Very low	150 Å²	150	141.9 Å²	141.9	79%	0.785	79%	0.79	S	S	*	*			cis	-166.2	163.8	21.2	-131.5	144.4	0	0	0	108.9
359	I	33.5	Very low	34.5	Very low	148 Å²	148	145.4 Å²	145.4	76%	0.759	80%	0.797	S	S	*	*			trans	-66.7	145.9	177.9	-69.9	153	0	0	0	113.6
360	S	30.5	Very low	34.6	Very low	112 Å²	112	148 Å²	148	78%	0.783	80%	0.798	S	S	*	*				-174.8	139.6	124.8	55.6	0	0	0	0	112.6
361	E	37.6	Very low	35.1	Very low	170 Å²	170	147.8 Å²	147.8	79%	0.794	80%	0.797	S	S	*	*			trans	-68.2	156.6	167.1	-65.6	160	128.3	0	0	111.1
362	D	33.8	Very low	35.5	Very low	140 Å²	140	150.3 Å²	150.3	75%	0.749	80%	0.798	S	S	*	*			trans	151.4	130.3	132	-74.4	-17.3	0	0	0	113.3
363	D	35.3	Very low	36.4	Very low	127 Å²	127	152.6 Å²	152.6	68%	0.679	79%	0.794	S	S	*	*			trans	68.2	116.9	137.9	-58.8	-12.9	0	0	0	123.9
364	D	35.9	Very low	37.5	Very low	143 Å²	143	158.1 Å²	158.1	77%	0.765	80%	0.799	S	S	*	*				69.2	153.4	117.9	-61	-28.9	0	0	0	124.5
365	E	37.9	Very low	38.7	Very low	176 Å²	176	160.5 Å²	160.5	82%	0.822	80%	0.798	S	S	*	*			trans	87.1	104.5	165.5	-59.9	-179.8	170.5	0	0	116.3
366	D	37.4	Very low	39.7	Very low	147 Å²	147	157.6 Å²	157.6	79%	0.786	80%	0.799	S	S	*	*				62.4	113	78.1	-74.1	-23.8	0	0	0	112.4
367	D	39.4	Very low	40.7	Very low	163 Å²	163	166 Å²	166	87%	0.872	83%	0.829	S	S	*	*				175.9	137.9	108.7	-94	-29.2	0	0	0	112.5
368	E	43.7	Very low	41.2	Very low	182 Å²	182	165.2 Å²	165.2	85%	0.85	84%	0.835	S	S	*	*			trans	-65	151.3	165.9	-60.3	175.6	154.8	0	0	110.3
369	E	40.7	Very low	41.8	Very low	190 Å²	190	165.9 Å²	165.9	89%	0.888	84%	0.837	S	S	*	*			trans	-155.1	117.4	144.6	-114.8	173	-155.6	0	0	110.7
370	E	43	Very low	42.3	Very low	180 Å²	180	166.9 Å²	166.9	84%	0.841	84%	0.842	S	S	*	*			trans	-75.7	141.3	162.6	-61.3	178.5	145.3	0	0	109.4
371	E	44.6	Very low	43	Very low	179 Å²	179	170.2 Å²	170.2	84%	0.836	85%	0.845	S	S	*	*			trans	-144.9	98.4	149.4	-76	-165.3	165.6	0	0	105.9
372	E	44.9	Very low	43.3	Very low	183 Å²	183	170.2 Å²	170.2	86%	0.855	85%	0.848	S	S	*	*				76.9	118.3	91.6	-76.6	-161	171.8	0	0	114.4
373	E	49.8	Very low	44	Very low	175 Å²	175	172.2 Å²	172.2	82%	0.818	86%	0.855	S	S	*	*			trans	-72.5	141.5	163.9	-59.1	-166.8	157.5	0	0	110
374	E	51.8	Low	44.6	Very low	196 Å²	196	175.4 Å²	175.4	92%	0.916	87%	0.868	S	S	*	*			trans	-141.2	134	144.9	-87.1	-161.6	158.7	0	0	111.1
375	D	54.7	Low	45.3	Very low	146 Å²	146	177.9 Å²	177.9	78%	0.781	88%	0.876	S	S	*	*			trans	-70.8	174.9	179.2	-89.9	-43.9	0	0	0	114.4
376	D	52.4	Low	45.9	Very low	159 Å²	159	178.1 Å²	178.1	85%	0.85	88%	0.88	S	S	*	*			trans	81	97.7	158.4	-73	-19.9	0	0	0	119.4
377	N	48.2	Very low	46.6	Very low	237 Å²	237	180.9 Å²	180.9	100%	1.267	89%	0.889	S	S	*	*				-169.3	0	102.6	-159.9	34.4	0	0	0	113

Retrieved 377 of 377 residues in 111 ms (Link to these results)

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