A0A5K4F0Y1_SCHMA Loading...

Histone PARylation factor 1

AlphaFold DB , UniProt , Accession A0A5K4F0Y1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	32.6	Very low	246 Å²	246	177.7 Å²	177.7	100%	1.212	88%	0.884	S	S	*	*				0	114	0	-75.5	166.8	132.7	0	0	108.6	G3	M1-G3 PolarHBondContact O-N 2.87Å
2	K	38.6	Very low	32.4	Very low	213 Å²	213	172 Å²	172	93%	0.926	87%	0.865	S	S	*	*			trans	-72.6	117.9	-179.4	-77.5	-178.7	175.2	179.2	0	109.7	K4	K2-K4 PolarHBondContact O-N 3.33Å
3	G	33.5	Very low	32.2	Very low	79 Å²	79	171.2 Å²	171.2	81%	0.814	86%	0.862	S	S	*	*			trans	-62.8	117	179.3	0	0	0	0	0	111.4	M1 S5	M1-G3 PolarHBondContact O-N 2.87Å; G3-S5 PolarHBondContact O-N 3.19Å
4	K	36	Very low	32.3	Very low	205 Å²	205	168.3 Å²	168.3	89%	0.891	85%	0.848	S	S	*	*			trans	-77.3	108.5	174	-74.1	-178.3	175.7	179	0	108.9	K2 R6	K2-K4 PolarHBondContact O-N 3.33Å; K4-R6 PolarHBondContact O-N 2.93Å
5	S	33.3	Very low	32.4	Very low	117 Å²	117	168.7 Å²	168.7	82%	0.818	85%	0.846	S	S	*	*			trans	-62.9	112.7	168.4	177.8	0	0	0	0	109.6	G3 K7	G3-S5 PolarHBondContact O-N 3.19Å; S5-K7 PolarHBondContact O-N 2.88Å
6	R	30	Very low	32.4	Very low	235 Å²	235	167.2 Å²	167.2	89%	0.887	84%	0.842	S	S	*	*			trans	-78.4	106.2	174.1	-90.3	179	167	172.5	-4.1	108.7	K4 R8	K4-R6 PolarHBondContact O-N 2.93Å; R6-R8 PolarHBondContact O-N 2.98Å
7	K	31	Very low	32.5	Very low	204 Å²	204	167.4 Å²	167.4	89%	0.887	84%	0.839	S	S	*	*			trans	-58.3	113.7	163.4	-91.3	179.7	171	178.5	0	109	S5 S9	S5-K7 PolarHBondContact O-N 2.88Å; K7-S9 PolarHBondContact O-N 3.45Å
8	R	28.4	Very low	32.3	Very low	239 Å²	239	168.8 Å²	168.8	90%	0.902	84%	0.839	S	S	*	*			trans	-74.5	113.3	168	-91.1	-179.8	168.9	176.3	-3.8	108.6	R6	R6-R8 PolarHBondContact O-N 2.98Å
9	S	27.7	Very low	32.7	Very low	113 Å²	113	164 Å²	164	79%	0.79	82%	0.821	S	S	*	*			trans	-95.1	89.8	169	63.2	0	0	0	0	109.2	K7 K11	K7-S9 PolarHBondContact O-N 3.45Å; S9-K11 PolarHBondContact O-N 3.12Å
10	S	31.4	Very low	32.8	Very low	102 Å²	102	165.5 Å²	165.5	71%	0.713	82%	0.822	S	S	*	*			trans	-85.9	102	165.7	19.5	0	0	0	0	108.1	V12	S10-V12 VanDerWaalsContact C-N 3.34Å; S10-V12 PolarHBondContact O-N 3.37Å; S10-V12 VanDerWaalsContact O-N 3.08Å
11	K	28.5	Very low	33	Very low	202 Å²	202	163 Å²	163	88%	0.878	82%	0.816	S	S	*	*			trans	-72.7	88.5	167	-78.7	-178.7	173.5	-179.1	0	108.1	S9	S9-K11 PolarHBondContact O-N 3.12Å
12	V	30.2	Very low	33	Very low	109 Å²	109	153.5 Å²	153.5	66%	0.661	77%	0.773	S	S	*	*			trans	-90.2	116.8	165.4	178.9	0	0	0	0	106.9	S10 I14	S10-V12 VanDerWaalsContact C-N 3.34Å; S10-V12 PolarHBondContact O-N 3.37Å; S10-V12 VanDerWaalsContact O-N 3.08Å; V12-I14 HydrophobicContact CG1-CG1 4.28Å; V12-I14 PolarHBondContact O-N 3.22Å; V12-I14 VanDerWaalsContact O-N 3.12Å
13	I	30.8	Very low	32.7	Very low	161 Å²	161	152 Å²	152	83%	0.826	77%	0.766	S	S	*	*			trans	-74.4	98.8	173	-62.8	171.8	0	0	0	105.9	E15	I13-E15 PolarHBondContact O-N 3.28Å
14	I	33.3	Very low	32.6	Very low	131 Å²	131	155.5 Å²	155.5	67%	0.672	77%	0.772	S	S	*	*			trans	-80.4	101.7	173.3	-56.4	174.8	0	0	0	106.2	V12 N16	V12-I14 HydrophobicContact CG1-CG1 4.28Å; V12-I14 PolarHBondContact O-N 3.22Å; V12-I14 VanDerWaalsContact O-N 3.12Å; I14-N16 PolarHBondContact O-N 3.42Å
15	E	33.2	Very low	32.4	Very low	174 Å²	174	151 Å²	151	81%	0.813	76%	0.762	S	S	*	*			trans	-67.4	112	165.4	-137.3	173	-162.3	0	0	107.2	I13 Q17	I13-E15 PolarHBondContact O-N 3.28Å; E15-Q17 VanDerWaalsContact C-N 3.32Å; E15-Q17 PolarHBondContact O-N 3.21Å
16	N	33.3	Very low	32.3	Very low	145 Å²	145	150.3 Å²	150.3	78%	0.775	76%	0.756	S	S	*	*			trans	-66.5	81.6	-173.9	-83.2	-38.4	0	0	0	111.7	I14	I14-N16 PolarHBondContact O-N 3.42Å
17	Q	33	Very low	32.7	Very low	171 Å²	171	144.2 Å²	144.2	80%	0.799	74%	0.738	S	S	*	*			trans	-96	93.2	158.1	-70.1	-168	-6.6	0	0	108.3	E15 P19	E15-Q17 VanDerWaalsContact C-N 3.32Å; E15-Q17 PolarHBondContact O-N 3.21Å; Q17-P19 VanDerWaalsContact O-CD 3.27Å; Q17-P19 WeakPolarHBondContact O-CD 3.11Å
18	K	29.6	Very low	32.8	Very low	192 Å²	192	143 Å²	143	84%	0.835	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-67.9	117.8	167.2	-82	-176.1	175	-178.3	0	108.7
19	P	39.8	Very low	33	Very low	78 Å²	78	140.8 Å²	140.8	51%	0.506	74%	0.735	S	S	.	*	P	Polyproline II helix	trans	-67.9	139.7	171.4	-12.6	28.7	0	0	0	109.6	Q17	Q17-P19 VanDerWaalsContact O-CD 3.27Å; Q17-P19 WeakPolarHBondContact O-CD 3.11Å
20	K	35.3	Very low	33.5	Very low	193 Å²	193	139.7 Å²	139.7	84%	0.839	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-86.5	125.6	170.2	-77	-177.8	176.5	178.4	0	108.2
21	V	35.7	Very low	33.7	Very low	114 Å²	114	139.6 Å²	139.6	69%	0.691	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-53	125.6	174.2	-179	0	0	0	0	110	K23	V21-K23 PolarHBondContact O-N 3.13Å
22	P	39.5	Very low	34.3	Very low	46 Å²	46	136.3 Å²	136.3	30%	0.299	72%	0.721	S	S	.	*	P	Polyproline II helix	trans	-66.5	123.2	174.6	-13.5	27.3	0	0	0	109.4	T24	P22-T24 PolarHBondContact O-N 3.49Å
23	K	32.6	Very low	35.1	Very low	183 Å²	183	136.9 Å²	136.9	80%	0.796	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-72	126	161.5	-77.5	-176	175.6	-176.4	0	107.4	V21 V25	V21-K23 PolarHBondContact O-N 3.13Å; K23-V25 PolarHBondContact O-N 3.23Å
24	T	31.7	Very low	36.2	Very low	152 Å²	152	137.1 Å²	137.1	93%	0.933	72%	0.718	S	S	*	*			trans	-56.6	101.6	165.3	8.8	0	0	0	0	108.3	P22	P22-T24 PolarHBondContact O-N 3.49Å
25	V	31.3	Very low	37.3	Very low	111 Å²	111	135.8 Å²	135.8	67%	0.673	71%	0.705	S	S	*	*			trans	-93.1	113.5	165.9	-179.4	0	0	0	0	105.1	K23 E27	K23-V25 PolarHBondContact O-N 3.23Å; V25-E27 PolarHBondContact O-N 2.69Å; V25-E27 VanDerWaalsContact O-N 3.15Å
26	S	33	Very low	39	Very low	101 Å²	101	132.8 Å²	132.8	71%	0.706	70%	0.701	S	S	*	*			trans	-57	115.5	167.3	47.3	0	0	0	0	107.8	E28	S26-E28 PolarHBondContact O-N 3.46Å; S26-E28 VanDerWaalsContact O-N 3.09Å
27	E	38	Very low	41.2	Very low	108 Å²	108	128.1 Å²	128.1	51%	0.505	68%	0.675	S	S	.	*			trans	-62.7	111.6	168.8	-66.6	-174.8	171	0	0	106.2	V25 E29 R210	V25-E27 PolarHBondContact O-N 2.69Å; V25-E27 VanDerWaalsContact O-N 3.15Å; E27-E29 PolarHBondContact O-N 3.02Å; E27-R210 IonicContact OE1-CZ 3.64Å; E27-R210 IonicContact OE1-NH1 3.91Å; E27-R210 PolarHBondContact OE1-NH1 3.35Å; E27-R210 IonicContact OE1-NH2 2.82Å
28	E	32	Very low	43.8	Very low	179 Å²	179	123.1 Å²	123.1	84%	0.836	66%	0.659	S	S	*	*			trans	-59.3	108.1	173	-75.5	178.3	170.9	0	0	107.6	S26 S30	S26-E28 PolarHBondContact O-N 3.46Å; S26-E28 VanDerWaalsContact O-N 3.09Å; E28-S30 PolarHBondContact O-N 3.13Å
29	E	33.9	Very low	46.6	Very low	191 Å²	191	120.3 Å²	120.3	89%	0.893	65%	0.654	S	S	*	*			trans	-62.2	88.9	170.6	-72.1	-174.2	162	0	0	108	E27	E27-E29 PolarHBondContact O-N 3.02Å
30	S	37.3	Very low	49.1	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	65%	0.651	S	S	*	*			trans	-62.5	135.3	165.4	-50.5	0	0	0	0	107.5	E28 V32	E28-S30 PolarHBondContact O-N 3.13Å; S30-V32 PolarHBondContact O-N 3.46Å
31	P	36.1	Very low	51.9	Low	101 Å²	101	113 Å²	113	66%	0.656	62%	0.616	S	S	*	*			trans	-55.1	134.3	-168.5	18.4	-30.5	0	0	0	111.6	F33	P31-F33 WeakPolarHBondContact O-CD2 3.38Å; P31-F33 PolarHBondContact O-N 3.03Å
32	V	41.5	Very low	54.6	Low	132 Å²	132	112.5 Å²	112.5	80%	0.8	61%	0.606	S	S	*	*			trans	-55.3	106	167.2	-179.4	0	0	0	0	106.4	S30 D34	S30-V32 PolarHBondContact O-N 3.46Å; V32-D34 PolarHBondContact O-N 3.35Å
33	F	47	Very low	57.2	Low	122 Å²	122	116 Å²	116	54%	0.535	61%	0.613	S	S	.	*			trans	-61.9	121.8	-176.4	-90.3	-95.1	0	0	0	109.9	P31 Y35 N194	P31-F33 WeakPolarHBondContact O-CD2 3.38Å; P31-F33 PolarHBondContact O-N 3.03Å; F33-Y35 PolarHBondContact O-N 3.05Å; F33-N194 HydrophobicContact CZ-CB 4.28Å
34	D	53	Low	60.3	Low	166 Å²	166	108.7 Å²	108.7	89%	0.888	58%	0.581	S	S	*	*			trans	-77.7	56	-179	-156.3	17.1	0	0	0	110.7	V32	V32-D34 PolarHBondContact O-N 3.35Å
35	Y	57.3	Low	63.4	Low	102 Å²	102	103.3 Å²	103.3	40%	0.4	55%	0.546	S	S	.	.			trans	-77.2	128.8	170.4	-171.2	-103.9	0	0	0	108	F33 I37 L62 K193	F33-Y35 PolarHBondContact O-N 3.05Å; Y35-I37 HydrophobicContact CD1-CG1 4.19Å; Y35-I37 PolarHBondContact O-N 2.9Å; Y35-L62 HydrophobicContact CD1-CD2 4.33Å; Y35-L62 HydrophobicContact CG-CD2 4.43Å; Y35-K193 PolarHBondContact OH-NZ 2.97Å
36	P	68.1	Low	66.4	Low	111 Å²	111	101.8 Å²	101.8	72%	0.721	54%	0.54	S	S	*	.			trans	-65.3	98.9	176.6	25.7	-32.6	0	0	0	109
37	I	78.6	Confident	69.4	Low	47 Å²	47	98 Å²	98	24%	0.241	51%	0.512	C	S	.	.			trans	-89.8	131.3	170.5	-63.4	175.4	0	0	0	106.5	Y35 I41 Q42 I45 P61	Y35-I37 HydrophobicContact CD1-CG1 4.19Å; Y35-I37 PolarHBondContact O-N 2.9Å; I37-I41 HydrophobicContact CG2-CB 3.42Å; I37-I41 VanDerWaalsContact CG2-CB 3.42Å; I37-I41 HydrophobicContact CG2-CG2 3.27Å; I37-Q42 HydrophobicContact CB-CG 3.97Å; I37-Q42 HydrophobicContact CG2-CG 3.72Å; I37-Q42 PolarHBondContact O-NE2 2.74Å; I37-I45 HydrophobicContact CD1-CD1 4.23Å; I37-P61 HydrophobicContact CD1-CB 4.34Å; I37-P61 HydrophobicContact CD1-CG 4.08Å
38	S	88	Confident	72.2	Confident	66 Å²	66	92.9 Å²	92.9	46%	0.462	49%	0.488	S	S	.	.			trans	-58.7	149	177.4	67.1	0	0	0	0	111.4	E40 I41 Q42	S38-E40 PolarHBondContact O-N 3.04Å; S38-I41 PolarHBondContact O-N 3.43Å; S38-I41 WeakPolarHBondContact OG-CG1 3.24Å; S38-I41 PolarHBondContact OG-N 3.45Å; S38-Q42 PolarHBondContact O-N 2.78Å
39	D	89.6	Confident	75.3	Confident	134 Å²	134	85.7 Å²	85.7	72%	0.717	46%	0.461	S	S	*	.	H	α-helix	trans	-53	-33.7	177.8	-63.7	-18.5	0	0	0	112.1	R43	D39-R43 WeakPolarHBondContact O-CB 3.28Å; D39-R43 PolarHBondContact O-N 2.88Å
40	E	92.2	Very high	78.2	Confident	98 Å²	98	80.2 Å²	80.2	46%	0.458	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-48.8	174.7	178.8	170.6	-153.9	0	0	112.5	S38 R43 R44	S38-E40 PolarHBondContact O-N 3.04Å; E40-R43 WeakPolarHBondContact O-CB 3.39Å; E40-R43 PolarHBondContact O-N 3.37Å; E40-R44 WeakPolarHBondContact O-CG 3.26Å; E40-R44 PolarHBondContact O-N 2.98Å; E40-R44 IonicContact OE1-CZ 3.37Å; E40-R44 VanDerWaalsContact OE1-CZ 3.29Å; E40-R44 IonicContact OE1-NE 2.88Å; E40-R44 PolarHBondContact OE1-NE 3.46Å; E40-R44 IonicContact OE1-NH2 2.95Å; E40-R44 PolarHBondContact OE1-NH2 3.24Å
41	I	92.9	Very high	81.1	Confident	19 Å²	19	76 Å²	76	10%	0.097	41%	0.406	C	S	.	.	H	α-helix	trans	-68.4	-37.9	179.5	-65	-68.9	0	0	0	110.1	I37 S38 R43 R44 I45 Y64 L93	I37-I41 HydrophobicContact CG2-CB 3.42Å; I37-I41 VanDerWaalsContact CG2-CB 3.42Å; I37-I41 HydrophobicContact CG2-CG2 3.27Å; S38-I41 PolarHBondContact O-N 3.43Å; S38-I41 WeakPolarHBondContact OG-CG1 3.24Å; S38-I41 PolarHBondContact OG-N 3.45Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 3.21Å; I41-R44 PolarHBondContact O-N 2.85Å; I41-I45 HydrophobicContact CG2-CD1 3.97Å; I41-I45 HydrophobicContact CG2-CG1 4.38Å; I41-I45 WeakPolarHBondContact O-CG1 3.3Å; I41-I45 PolarHBondContact O-N 3Å; I41-Y64 HydrophobicContact CD1-CE1 4.42Å; I41-L93 HydrophobicContact CD1-CD1 4.39Å; I41-L93 HydrophobicContact CD1-CG 4.49Å; I41-L93 HydrophobicContact CG2-CD1 3.9Å
42	Q	93.5	Very high	83.9	Confident	103 Å²	103	71.2 Å²	71.2	48%	0.481	38%	0.375	S	S	.	.	H	α-helix	trans	-60	-44.3	173.8	-65.6	-175.4	25.9	0	0	111.8	I37 S38 R44 I45 S46	I37-Q42 HydrophobicContact CB-CG 3.97Å; I37-Q42 HydrophobicContact CG2-CG 3.72Å; I37-Q42 PolarHBondContact O-NE2 2.74Å; S38-Q42 PolarHBondContact O-N 2.78Å; Q42-R44 VanDerWaalsContact C-N 3.32Å; Q42-R44 PolarHBondContact O-N 2.86Å; Q42-I45 PolarHBondContact O-N 3.49Å; Q42-S46 PolarHBondContact O-N 2.88Å
43	R	94.6	Very high	86.5	Confident	120 Å²	120	65.8 Å²	65.8	45%	0.453	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-42.9	174.6	-173.8	-174.5	68	102.2	3.5	111.5	D39 E40 I41 S46 M47	D39-R43 WeakPolarHBondContact O-CB 3.28Å; D39-R43 PolarHBondContact O-N 2.88Å; E40-R43 WeakPolarHBondContact O-CB 3.39Å; E40-R43 PolarHBondContact O-N 3.37Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 3.21Å; R43-S46 WeakPolarHBondContact O-CB 3.48Å; R43-S46 PolarHBondContact O-N 3.33Å; R43-M47 HydrophobicContact CG-CE 4.44Å; R43-M47 WeakPolarHBondContact O-CG 3Å; R43-M47 PolarHBondContact O-N 3.01Å
44	R	96.7	Very high	88.8	Confident	30 Å²	30	60 Å²	60	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-35	178.6	-66.2	176.3	-171.4	-163.8	-7	112.6	E40 I41 Q42 S46 M47 I48 L93 H94	E40-R44 WeakPolarHBondContact O-CG 3.26Å; E40-R44 PolarHBondContact O-N 2.98Å; E40-R44 IonicContact OE1-CZ 3.37Å; E40-R44 VanDerWaalsContact OE1-CZ 3.29Å; E40-R44 IonicContact OE1-NE 2.88Å; E40-R44 PolarHBondContact OE1-NE 3.46Å; E40-R44 IonicContact OE1-NH2 2.95Å; E40-R44 PolarHBondContact OE1-NH2 3.24Å; I41-R44 PolarHBondContact O-N 2.85Å; Q42-R44 VanDerWaalsContact C-N 3.32Å; Q42-R44 PolarHBondContact O-N 2.86Å; R44-S46 VanDerWaalsContact C-N 3.33Å; R44-M47 WeakPolarHBondContact O-CB 3.35Å; R44-M47 PolarHBondContact O-N 3.25Å; R44-I48 VanDerWaalsContact O-CG1 3.28Å; R44-I48 WeakPolarHBondContact O-CG1 3.21Å; R44-I48 PolarHBondContact O-N 3.28Å; R44-L93 HydrophobicContact CB-CD1 4.19Å; R44-L93 WeakPolarHBondContact CD-O 3.11Å; R44-L93 PolarHBondContact NH1-O 3.37Å; R44-H94 PolarHBondContact NH1-O 2.9Å
45	I	96.2	Very high	90.8	Very high	38 Å²	38	57.6 Å²	57.6	20%	0.195	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-42.6	170.9	-69.6	167.7	0	0	0	110.6	I37 I41 Q42 M47 I48 G49 C56 P61 L93	I37-I45 HydrophobicContact CD1-CD1 4.23Å; I41-I45 HydrophobicContact CG2-CD1 3.97Å; I41-I45 HydrophobicContact CG2-CG1 4.38Å; I41-I45 WeakPolarHBondContact O-CG1 3.3Å; I41-I45 PolarHBondContact O-N 3Å; Q42-I45 PolarHBondContact O-N 3.49Å; I45-M47 VanDerWaalsContact C-N 3.34Å; I45-M47 PolarHBondContact O-N 3.11Å; I45-I48 WeakPolarHBondContact O-CB 3.36Å; I45-I48 PolarHBondContact O-N 3Å; I45-G49 PolarHBondContact O-N 3.43Å; I45-C56 HydrophobicContact CG2-CB 4.15Å; I45-P61 HydrophobicContact CD1-CB 4.11Å; I45-P61 HydrophobicContact CD1-CG 4.23Å; I45-L93 HydrophobicContact CG1-CD1 3.87Å
46	S	95.1	Very high	92.4	Very high	80 Å²	80	54 Å²	54	56%	0.559	29%	0.287	S	S	*	.	H	α-helix	trans	-61	-42.6	174.8	-175.5	0	0	0	0	112	Q42 R43 R44 I48 G49 Q50	Q42-S46 PolarHBondContact O-N 2.88Å; R43-S46 WeakPolarHBondContact O-CB 3.48Å; R43-S46 PolarHBondContact O-N 3.33Å; R44-S46 VanDerWaalsContact C-N 3.33Å; S46-I48 PolarHBondContact O-N 3.5Å; S46-G49 PolarHBondContact O-N 2.64Å; S46-Q50 PolarHBondContact O-N 3.38Å
47	M	96.5	Very high	93.5	Very high	22 Å²	22	49.1 Å²	49.1	11%	0.108	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-45.6	173	-70.8	175	161.6	0	0	112.4	R43 R44 I45 G49 Q50 G51 I92 V101 W106	R43-M47 HydrophobicContact CG-CE 4.44Å; R43-M47 WeakPolarHBondContact O-CG 3Å; R43-M47 PolarHBondContact O-N 3.01Å; R44-M47 WeakPolarHBondContact O-CB 3.35Å; R44-M47 PolarHBondContact O-N 3.25Å; I45-M47 VanDerWaalsContact C-N 3.34Å; I45-M47 PolarHBondContact O-N 3.11Å; M47-G49 VanDerWaalsContact C-N 3.33Å; M47-G49 PolarHBondContact O-N 3.34Å; M47-Q50 PolarHBondContact O-N 3.28Å; M47-G51 PolarHBondContact O-N 2.98Å; M47-I92 HydrophobicContact CB-CG2 4.23Å; M47-V101 HydrophobicContact CB-CG2 3.95Å; M47-V101 HydrophobicContact CE-CG2 4.45Å; M47-V101 HydrophobicContact CG-CG2 3.79Å; M47-V101 HydrophobicContact SD-CG2 4.39Å; M47-W106 HydrophobicContact CB-CH2 4.26Å; M47-W106 HydrophobicContact CB-CZ3 4.28Å; M47-W106 WeakPolarHBondContact O-CZ3 3.33Å
48	I	96.9	Very high	94	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-46	176.7	-68.2	162.3	0	0	0	110.4	R44 I45 S46 Q50 G51 F52 L54 C56 F60 P89 I92 L93	R44-I48 VanDerWaalsContact O-CG1 3.28Å; R44-I48 WeakPolarHBondContact O-CG1 3.21Å; R44-I48 PolarHBondContact O-N 3.28Å; I45-I48 WeakPolarHBondContact O-CB 3.36Å; I45-I48 PolarHBondContact O-N 3Å; S46-I48 PolarHBondContact O-N 3.5Å; I48-Q50 VanDerWaalsContact C-N 3.29Å; I48-Q50 PolarHBondContact O-N 2.88Å; I48-G51 PolarHBondContact O-N 3.2Å; I48-F52 HydrophobicContact CG2-CD2 4.16Å; I48-F52 WeakPolarHBondContact O-CB 3.34Å; I48-F52 PolarHBondContact O-N 3.43Å; I48-L54 HydrophobicContact CG2-CB 4.48Å; I48-L54 HydrophobicContact CG2-CD2 4.18Å; I48-C56 VanDerWaalsContact CG2-SG 3.56Å; I48-F60 HydrophobicContact CD1-CE1 3.63Å; I48-F60 HydrophobicContact CD1-CZ 3.93Å; I48-P89 HydrophobicContact CD1-CB 4.4Å; I48-P89 WeakPolarHBondContact CD1-O 3.48Å; I48-P89 HydrophobicContact CG2-CB 3.84Å; I48-P89 HydrophobicContact CG2-CG 4.37Å; I48-I92 HydrophobicContact CD1-CB 4.39Å; I48-I92 HydrophobicContact CD1-CG2 4.43Å; I48-I92 HydrophobicContact CG1-CB 3.81Å; I48-I92 HydrophobicContact CG1-CG2 3.66Å; I48-L93 HydrophobicContact CD1-CB 3.98Å; I48-L93 HydrophobicContact CD1-CD1 4.14Å
49	G	95.7	Very high	94.3	Very high	27 Å²	27	47.4 Å²	47.4	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-55.7	-45.1	176.8	0	0	0	0	0	112.6	I45 S46 M47 H53 L54	I45-G49 PolarHBondContact O-N 3.43Å; S46-G49 PolarHBondContact O-N 2.64Å; M47-G49 VanDerWaalsContact C-N 3.33Å; M47-G49 PolarHBondContact O-N 3.34Å; G49-H53 VanDerWaalsContact O-CA 3.25Å; G49-H53 WeakPolarHBondContact O-CA 3.4Å; G49-H53 PolarHBondContact O-N 3.38Å; G49-H53 VanDerWaalsContact O-N 3.16Å; G49-L54 VanDerWaalsContact CA-O 3.24Å; G49-L54 WeakPolarHBondContact CA-O 3.43Å; G49-L54 PolarHBondContact O-N 2.87Å
50	Q	95.9	Very high	94.7	Very high	77 Å²	77	41 Å²	41	36%	0.36	21%	0.211	S	C	.	.	H	α-helix	trans	-70.3	-48	178.4	-170.6	174	9.2	0	0	112.8	S46 M47 I48 V101 K103 G104	S46-Q50 PolarHBondContact O-N 3.38Å; M47-Q50 PolarHBondContact O-N 3.28Å; I48-Q50 VanDerWaalsContact C-N 3.29Å; I48-Q50 PolarHBondContact O-N 2.88Å; Q50-V101 HydrophobicContact CB-CG1 4.1Å; Q50-V101 HydrophobicContact CG-CG1 4.11Å; Q50-V101 PolarHBondContact NE2-O 3.24Å; Q50-V101 PolarHBondContact OE1-O 3.43Å; Q50-K103 HydrophobicContact CG-CG 3.92Å; Q50-K103 WeakPolarHBondContact O-CA 3.26Å; Q50-G104 PolarHBondContact O-N 2.92Å
51	G	97.1	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-76.3	-32.8	-171.6	0	0	0	0	0	114.3	M47 I48 G104 Q105 W106 S107	M47-G51 PolarHBondContact O-N 2.98Å; I48-G51 PolarHBondContact O-N 3.2Å; G51-G104 CarbonylContact O-C 3.55Å; G51-G104 VanDerWaalsContact O-CA 3.24Å; G51-G104 WeakPolarHBondContact O-CA 3.47Å; G51-Q105 PolarHBondContact O-N 3.49Å; G51-W106 PolarHBondContact O-N 2.77Å; G51-S107 PolarHBondContact O-N 2.98Å
52	F	96.7	Very high	95.1	Very high	2 Å²	2	37 Å²	37	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-105.9	-4.3	-179.1	-74.8	-78.4	0	0	0	114.5	I48 L54 P89 I92 W106 V120 R136 F345	I48-F52 HydrophobicContact CG2-CD2 4.16Å; I48-F52 WeakPolarHBondContact O-CB 3.34Å; I48-F52 PolarHBondContact O-N 3.43Å; F52-L54 VanDerWaalsContact C-N 3.25Å; F52-L54 HydrophobicContact CB-CB 3.87Å; F52-L54 PolarHBondContact O-N 3.41Å; F52-P89 HydrophobicContact CD2-CG 4.02Å; F52-P89 HydrophobicContact CE2-CG 4.05Å; F52-P89 HydrophobicContact CG-CG 4.27Å; F52-P89 HydrophobicContact CZ-CG 4.32Å; F52-I92 HydrophobicContact CE2-CG1 3.96Å; F52-W106 HydrophobicContact CD1-CB 4.12Å; F52-W106 WeakPolarHBondContact CD1-O 3.23Å; F52-W106 HydrophobicContact CD2-CB 4.17Å; F52-W106 AromaticContact CD2-CE3 3.89Å; F52-W106 HydrophobicContact CD2-CE3 3.89Å; F52-W106 HydrophobicContact CE1-CB 3.76Å; F52-W106 WeakPolarHBondContact CE1-O 3.36Å; F52-W106 HydrophobicContact CE2-CB 3.81Å; F52-W106 HydrophobicContact CE2-CD2 4.3Å; F52-W106 AromaticContact CE2-CE3 3.76Å; F52-W106 HydrophobicContact CE2-CE3 3.76Å; F52-W106 HydrophobicContact CE2-CG 4.38Å; F52-W106 HydrophobicContact CG-CB 4.31Å; F52-W106 HydrophobicContact CZ-CB 3.59Å; F52-W106 HydrophobicContact CZ-CG 4.44Å; F52-V120 HydrophobicContact CB-CG1 4.47Å; F52-V120 HydrophobicContact CD1-CG1 3.91Å; F52-V120 HydrophobicContact CE1-CG1 4.46Å; F52-V120 HydrophobicContact CG-CG1 4.33Å; F52-R136 PolarHBondContact O-NH2 3.21Å; F52-F345 HydrophobicContact CE2-CE2 4.43Å; F52-F345 HydrophobicContact CE2-CZ 4.32Å; F52-F345 AromaticContact CZ-CE2 3.85Å; F52-F345 HydrophobicContact CZ-CE2 3.85Å; F52-F345 AromaticContact CZ-CZ 3.87Å; F52-F345 HydrophobicContact CZ-CZ 3.87Å
53	H	96	Very high	95.3	Very high	17 Å²	17	32.1 Å²	32.1	8%	0.079	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	49.2	-165.9	-60	-70.5	0	0	0	111.3	G49 G104 R136 E326	G49-H53 VanDerWaalsContact O-CA 3.25Å; G49-H53 WeakPolarHBondContact O-CA 3.4Å; G49-H53 PolarHBondContact O-N 3.38Å; G49-H53 VanDerWaalsContact O-N 3.16Å; H53-G104 WeakPolarHBondContact NE2-CA 3.42Å; H53-G104 PolarHBondContact NE2-N 3.28Å; H53-R136 PolarHBondContact O-NE 3.29Å; H53-R136 PolarHBondContact O-NH2 2.88Å; H53-E326 HydrophobicContact CB-CB 4.14Å; H53-E326 HydrophobicContact CB-CG 4.45Å; H53-E326 WeakPolarHBondContact ND1-CG 3.38Å
54	L	95	Very high	95.5	Very high	2 Å²	2	27 Å²	27	1%	0.01	15%	0.151	C	C	.	.			trans	-126.5	108	-174	178	64.6	0	0	0	111.1	I48 G49 F52 C56 P89 V120 Y134	I48-L54 HydrophobicContact CG2-CB 4.48Å; I48-L54 HydrophobicContact CG2-CD2 4.18Å; G49-L54 VanDerWaalsContact CA-O 3.24Å; G49-L54 WeakPolarHBondContact CA-O 3.43Å; G49-L54 PolarHBondContact O-N 2.87Å; F52-L54 VanDerWaalsContact C-N 3.25Å; F52-L54 HydrophobicContact CB-CB 3.87Å; F52-L54 PolarHBondContact O-N 3.41Å; L54-C56 PolarHBondContact O-N 3.05Å; L54-C56 VanDerWaalsContact O-N 3.12Å; L54-P89 HydrophobicContact CD2-CB 4.31Å; L54-P89 HydrophobicContact CD2-CG 3.84Å; L54-V120 HydrophobicContact CD2-CB 4.49Å; L54-V120 HydrophobicContact CD2-CG1 4.05Å; L54-Y134 HydrophobicContact CD1-CD2 4.36Å; L54-Y134 HydrophobicContact CD2-CD2 4.13Å
55	K	93.3	Very high	95.5	Very high	115 Å²	115	27.9 Å²	27.9	50%	0.5	16%	0.157	S	C	.	.			trans	-71.9	102.8	165.3	-171.3	175.1	-172	170.4	0	109.1	S57 E140	K55-S57 PolarHBondContact O-N 3.44Å; K55-E140 IonicContact NZ-OE2 3.99Å; K55-E140 PolarHBondContact NZ-OE2 3.37Å
56	C	91.2	Very high	95.6	Very high	27 Å²	27	26.1 Å²	26.1	18%	0.182	15%	0.148	C	C	.	.			trans	-60.2	126	-179.4	-66	0	0	0	0	110.7	I45 I48 L54 F60	I45-C56 HydrophobicContact CG2-CB 4.15Å; I48-C56 VanDerWaalsContact CG2-SG 3.56Å; L54-C56 PolarHBondContact O-N 3.05Å; L54-C56 VanDerWaalsContact O-N 3.12Å; C56-F60 HydrophobicContact CB-CB 4.19Å; C56-F60 HydrophobicContact CB-CD1 3.84Å; C56-F60 HydrophobicContact CB-CG 4.22Å
57	S	90.9	Very high	95.8	Very high	7 Å²	7	22.3 Å²	22.3	5%	0.049	12%	0.121	C	C	.	.			trans	-69.5	153.2	172.8	174.9	0	0	0	0	110.3	K55 D59 F60	K55-S57 PolarHBondContact O-N 3.44Å; S57-D59 WeakPolarHBondContact CB-OD1 3.32Å; S57-D59 PolarHBondContact O-N 3.36Å; S57-D59 VanDerWaalsContact O-N 3.07Å; S57-D59 PolarHBondContact OG-OD1 3.17Å; S57-F60 VanDerWaalsContact O-CB 3.23Å; S57-F60 WeakPolarHBondContact O-CB 3.32Å; S57-F60 PolarHBondContact O-N 3.37Å
58	P	90.3	Very high	95.8	Very high	69 Å²	69	24.8 Å²	24.8	45%	0.448	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.6	-178.2	-28.4	36.2	0	0	0	115.2	F60 L62	P58-F60 VanDerWaalsContact C-N 3.28Å; P58-F60 PolarHBondContact O-N 3.45Å; P58-L62 WeakPolarHBondContact O-CD1 3.24Å; P58-L62 WeakPolarHBondContact O-CG 3.11Å
59	D	95.1	Very high	95.8	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.043	16%	0.158	C	C	.	.	H	α-helix	trans	-69.7	-23.7	175.4	64.6	-60.6	0	0	0	113	S57 L62 F63 Y134 N162 L163 F164	S57-D59 WeakPolarHBondContact CB-OD1 3.32Å; S57-D59 PolarHBondContact O-N 3.36Å; S57-D59 VanDerWaalsContact O-N 3.07Å; S57-D59 PolarHBondContact OG-OD1 3.17Å; D59-L62 PolarHBondContact O-N 2.93Å; D59-F63 VanDerWaalsContact O-CB 3.26Å; D59-F63 WeakPolarHBondContact O-CB 3.4Å; D59-F63 PolarHBondContact O-N 3.43Å; D59-Y134 PolarHBondContact OD2-OH 2.92Å; D59-N162 HydrophobicContact CB-CB 3.98Å; D59-L163 WeakPolarHBondContact OD2-CB 3.49Å; D59-L163 WeakPolarHBondContact OD2-CG 3.32Å; D59-L163 PolarHBondContact OD2-N 3.1Å; D59-F164 HydrophobicContact CB-CD2 4.24Å; D59-F164 HydrophobicContact CB-CE2 4.22Å
60	F	97.3	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.4	-60.2	-175.1	178.9	-104.4	0	0	0	113.3	I48 C56 S57 P58 L62 F63 Y64 P89 F90 L93 V122 Y134 L163	I48-F60 HydrophobicContact CD1-CE1 3.63Å; I48-F60 HydrophobicContact CD1-CZ 3.93Å; C56-F60 HydrophobicContact CB-CB 4.19Å; C56-F60 HydrophobicContact CB-CD1 3.84Å; C56-F60 HydrophobicContact CB-CG 4.22Å; S57-F60 VanDerWaalsContact O-CB 3.23Å; S57-F60 WeakPolarHBondContact O-CB 3.32Å; S57-F60 PolarHBondContact O-N 3.37Å; P58-F60 VanDerWaalsContact C-N 3.28Å; P58-F60 PolarHBondContact O-N 3.45Å; F60-L62 VanDerWaalsContact C-N 3.28Å; F60-L62 PolarHBondContact O-N 2.77Å; F60-F63 PolarHBondContact O-N 2.84Å; F60-Y64 PolarHBondContact O-N 3.42Å; F60-P89 HydrophobicContact CE2-CB 3.8Å; F60-P89 HydrophobicContact CZ-CB 3.57Å; F60-F90 HydrophobicContact CD2-CD1 4.27Å; F60-F90 AromaticContact CD2-CE1 3.59Å; F60-F90 HydrophobicContact CD2-CE1 3.59Å; F60-F90 HydrophobicContact CD2-CE2 4.07Å; F60-F90 AromaticContact CD2-CZ 3.48Å; F60-F90 HydrophobicContact CD2-CZ 3.48Å; F60-F90 VanDerWaalsContact CD2-CZ 3.48Å; F60-F90 HydrophobicContact CE1-CE1 4.5Å; F60-F90 AromaticContact CE2-CD1 3.52Å; F60-F90 HydrophobicContact CE2-CD1 3.52Å; F60-F90 AromaticContact CE2-CD2 3.87Å; F60-F90 HydrophobicContact CE2-CD2 3.87Å; F60-F90 AromaticContact CE2-CE1 3.32Å; F60-F90 HydrophobicContact CE2-CE1 3.32Å; F60-F90 AromaticContact CE2-CE2 3.71Å; F60-F90 HydrophobicContact CE2-CE2 3.71Å; F60-F90 AromaticContact CE2-CG 3.79Å; F60-F90 HydrophobicContact CE2-CG 3.79Å; F60-F90 AromaticContact CE2-CZ 3.42Å; F60-F90 HydrophobicContact CE2-CZ 3.42Å; F60-F90 VanDerWaalsContact CE2-CZ 3.42Å; F60-F90 HydrophobicContact CG-CE1 4.32Å; F60-F90 HydrophobicContact CG-CZ 4.48Å; F60-F90 AromaticContact CZ-CD1 3.67Å; F60-F90 HydrophobicContact CZ-CD1 3.67Å; F60-F90 AromaticContact CZ-CE1 3.81Å; F60-F90 HydrophobicContact CZ-CE1 3.81Å; F60-F90 HydrophobicContact CZ-CG 4.08Å; F60-F90 HydrophobicContact CZ-CZ 4.36Å; F60-F90 WeakPolarHBondContact O-CE1 3.43Å; F60-L93 HydrophobicContact CD1-CD2 4.4Å; F60-L93 HydrophobicContact CE1-CB 4.36Å; F60-L93 HydrophobicContact CE1-CD1 4.28Å; F60-L93 HydrophobicContact CE1-CD2 3.79Å; F60-L93 HydrophobicContact CE1-CG 4.38Å; F60-L93 HydrophobicContact CZ-CB 4.43Å; F60-L93 HydrophobicContact CZ-CD2 4.22Å; F60-V122 HydrophobicContact CE2-CG1 4.45Å; F60-Y134 HydrophobicContact CB-CE2 4.34Å; F60-Y134 AromaticContact CD2-CE2 3.77Å; F60-Y134 HydrophobicContact CD2-CE2 3.77Å; F60-Y134 HydrophobicContact CG-CE2 4.39Å; F60-L163 HydrophobicContact CD2-CD1 4.47Å
61	P	96.1	Very high	96	Very high	14 Å²	14	31.7 Å²	31.7	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-31.8	178.1	26.8	-34.7	0	0	0	112.5	I37 I45 F63 Y64 E65	I37-P61 HydrophobicContact CD1-CB 4.34Å; I37-P61 HydrophobicContact CD1-CG 4.08Å; I45-P61 HydrophobicContact CD1-CB 4.11Å; I45-P61 HydrophobicContact CD1-CG 4.23Å; P61-F63 VanDerWaalsContact C-N 3.35Å; P61-Y64 PolarHBondContact O-N 3.45Å; P61-E65 PolarHBondContact O-N 2.97Å
62	L	96.8	Very high	95.9	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.099	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-35.5	178.7	-65.6	174	0	0	0	111.9	Y35 P58 D59 F60 E65 F66 F164 F189 K193 I195	Y35-L62 HydrophobicContact CD1-CD2 4.33Å; Y35-L62 HydrophobicContact CG-CD2 4.43Å; P58-L62 WeakPolarHBondContact O-CD1 3.24Å; P58-L62 WeakPolarHBondContact O-CG 3.11Å; D59-L62 PolarHBondContact O-N 2.93Å; F60-L62 VanDerWaalsContact C-N 3.28Å; F60-L62 PolarHBondContact O-N 2.77Å; L62-E65 PolarHBondContact O-N 3.14Å; L62-F66 PolarHBondContact O-N 3.28Å; L62-F164 HydrophobicContact CB-CE2 4.33Å; L62-F164 HydrophobicContact CB-CZ 4.29Å; L62-F189 WeakPolarHBondContact O-CE1 3.38Å; L62-K193 HydrophobicContact CD1-CB 4.43Å; L62-K193 HydrophobicContact CD2-CD 4.27Å; L62-K193 HydrophobicContact CD2-CG 4.42Å; L62-I195 HydrophobicContact CB-CD1 3.91Å; L62-I195 HydrophobicContact CD1-CD1 3.59Å; L62-I195 HydrophobicContact CD1-CG1 4.33Å; L62-I195 HydrophobicContact CG-CD1 4.38Å
63	F	98.5	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-36.4	175.1	-167.2	-95.9	0	0	0	111.9	D59 F60 P61 F66 C67 L79 L86 F90 I123 L163 F164 L167 L186	D59-F63 VanDerWaalsContact O-CB 3.26Å; D59-F63 WeakPolarHBondContact O-CB 3.4Å; D59-F63 PolarHBondContact O-N 3.43Å; F60-F63 PolarHBondContact O-N 2.84Å; P61-F63 VanDerWaalsContact C-N 3.35Å; F63-F66 WeakPolarHBondContact O-CB 3.46Å; F63-F66 PolarHBondContact O-N 3.45Å; F63-C67 PolarHBondContact O-N 3.33Å; F63-C67 PolarHBondContact O-SG 3.49Å; F63-L79 HydrophobicContact CE1-CD1 4.14Å; F63-L79 HydrophobicContact CZ-CD1 3.97Å; F63-L86 HydrophobicContact CD1-CD2 4.32Å; F63-L86 HydrophobicContact CE1-CD1 4.37Å; F63-L86 HydrophobicContact CE1-CD2 4.38Å; F63-L86 HydrophobicContact CE1-CG 4.49Å; F63-F90 HydrophobicContact CB-CZ 4.37Å; F63-F90 HydrophobicContact CD1-CE2 4.33Å; F63-F90 AromaticContact CD1-CZ 3.8Å; F63-F90 HydrophobicContact CD1-CZ 3.8Å; F63-I123 HydrophobicContact CE1-CD1 4.05Å; F63-I123 HydrophobicContact CZ-CD1 4.3Å; F63-L163 HydrophobicContact CB-CB 4.17Å; F63-L163 HydrophobicContact CB-CD1 3.67Å; F63-L163 HydrophobicContact CD1-CB 4.36Å; F63-L163 HydrophobicContact CD1-CD1 3.93Å; F63-L163 HydrophobicContact CD2-CB 3.53Å; F63-L163 HydrophobicContact CD2-CD1 4.39Å; F63-L163 HydrophobicContact CE2-CB 3.91Å; F63-L163 HydrophobicContact CG-CB 3.77Å; F63-L163 HydrophobicContact CG-CD1 3.75Å; F63-L163 HydrophobicContact CG-CG 4.36Å; F63-L163 HydrophobicContact CZ-CB 4.46Å; F63-F164 HydrophobicContact CB-CE2 3.9Å; F63-F164 HydrophobicContact CB-CZ 4.08Å; F63-F164 HydrophobicContact CD2-CD1 4.27Å; F63-F164 HydrophobicContact CD2-CD2 4.07Å; F63-F164 HydrophobicContact CD2-CE1 4.16Å; F63-F164 AromaticContact CD2-CE2 3.96Å; F63-F164 HydrophobicContact CD2-CE2 3.96Å; F63-F164 HydrophobicContact CD2-CG 4.22Å; F63-F164 HydrophobicContact CD2-CZ 4.02Å; F63-F164 HydrophobicContact CG-CE2 4.46Å; F63-L167 HydrophobicContact CE2-CB 4.24Å; F63-L167 HydrophobicContact CE2-CD2 3.96Å; F63-L167 HydrophobicContact CZ-CB 4.39Å; F63-L167 HydrophobicContact CZ-CD2 3.84Å; F63-L186 HydrophobicContact CE2-CD1 4.37Å
64	Y	98.1	Very high	95.9	Very high	13 Å²	13	41.4 Å²	41.4	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-42.8	171.5	177.1	-106	0	0	0	112.1	I41 F60 P61 F66 C67 K68 P75 F90 L93 H94	I41-Y64 HydrophobicContact CD1-CE1 4.42Å; F60-Y64 PolarHBondContact O-N 3.42Å; P61-Y64 PolarHBondContact O-N 3.45Å; Y64-F66 VanDerWaalsContact C-N 3.32Å; Y64-F66 PolarHBondContact O-N 3.22Å; Y64-C67 WeakPolarHBondContact O-CB 3.42Å; Y64-C67 PolarHBondContact O-N 3.21Å; Y64-C67 VanDerWaalsContact O-N 3.14Å; Y64-K68 HydrophobicContact CD1-CD 3.95Å; Y64-K68 HydrophobicContact CE1-CD 3.46Å; Y64-K68 VanDerWaalsContact CE1-CD 3.46Å; Y64-K68 HydrophobicContact CE1-CG 4.2Å; Y64-K68 PolarHBondContact O-N 2.95Å; Y64-P75 HydrophobicContact CD2-CB 4.45Å; Y64-P75 HydrophobicContact CE2-CB 3.86Å; Y64-P75 HydrophobicContact CE2-CG 3.74Å; Y64-F90 HydrophobicContact CD2-CD1 4.2Å; Y64-F90 HydrophobicContact CG-CD1 4.49Å; Y64-L93 HydrophobicContact CD1-CD2 3.7Å; Y64-L93 HydrophobicContact CD1-CG 4.28Å; Y64-L93 HydrophobicContact CD2-CD2 4.14Å; Y64-L93 HydrophobicContact CE1-CD2 4.42Å; Y64-L93 HydrophobicContact CG-CD2 3.53Å; Y64-L93 HydrophobicContact CG-CG 4.39Å; Y64-H94 HydrophobicContact CE2-CB 4Å; Y64-H94 AromaticContact CZ-ND1 3.82Å; Y64-H94 PolarHBondContact OH-ND1 2.98Å
65	E	96.9	Very high	96	Very high	49 Å²	49	41.3 Å²	41.3	23%	0.229	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-38.6	174.2	-72.5	-57.3	135.5	0	0	112.1	P61 L62 K68 T69 F189	P61-E65 PolarHBondContact O-N 2.97Å; L62-E65 PolarHBondContact O-N 3.14Å; E65-K68 WeakPolarHBondContact O-CB 3.45Å; E65-K68 PolarHBondContact O-N 2.86Å; E65-K68 IonicContact OE1-NZ 3.92Å; E65-K68 PolarHBondContact OE1-NZ 3.41Å; E65-K68 IonicContact OE2-NZ 2.74Å; E65-K68 PolarHBondContact OE2-NZ 3.14Å; E65-T69 WeakPolarHBondContact O-CG2 3.42Å; E65-T69 PolarHBondContact O-N 2.84Å; E65-T69 VanDerWaalsContact O-N 3.11Å; E65-F189 HydrophobicContact CB-CZ 4.07Å
66	F	98.2	Very high	96.3	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-58.8	-46.4	170.1	170.4	-111.3	0	0	0	111.7	L62 F63 Y64 K68 T69 L70 F164 L167 L182 L186 F189	L62-F66 PolarHBondContact O-N 3.28Å; F63-F66 WeakPolarHBondContact O-CB 3.46Å; F63-F66 PolarHBondContact O-N 3.45Å; Y64-F66 VanDerWaalsContact C-N 3.32Å; Y64-F66 PolarHBondContact O-N 3.22Å; F66-K68 PolarHBondContact O-N 3.39Å; F66-T69 PolarHBondContact O-N 3.29Å; F66-T69 PolarHBondContact O-OG1 2.82Å; F66-L70 HydrophobicContact CD1-CD1 4.34Å; F66-L70 HydrophobicContact CE1-CD1 3.68Å; F66-L70 HydrophobicContact CE1-CG 4.41Å; F66-L70 HydrophobicContact CE2-CD1 4.34Å; F66-L70 HydrophobicContact CE2-CD2 4.14Å; F66-L70 HydrophobicContact CE2-CG 4.26Å; F66-L70 HydrophobicContact CZ-CD1 3.7Å; F66-L70 HydrophobicContact CZ-CD2 4.11Å; F66-L70 HydrophobicContact CZ-CG 4.11Å; F66-L70 PolarHBondContact O-N 3.32Å; F66-F164 HydrophobicContact CB-CE1 4.12Å; F66-F164 HydrophobicContact CB-CZ 4.36Å; F66-F164 HydrophobicContact CG-CE1 4.28Å; F66-L167 HydrophobicContact CE1-CD2 4.35Å; F66-L182 HydrophobicContact CE1-CD1 4.31Å; F66-L182 HydrophobicContact CZ-CD1 3.94Å; F66-L186 HydrophobicContact CD1-CD1 3.85Å; F66-L186 HydrophobicContact CE1-CB 4.32Å; F66-L186 HydrophobicContact CE1-CD1 3.41Å; F66-L186 VanDerWaalsContact CE1-CD1 3.41Å; F66-L186 HydrophobicContact CE1-CG 4.49Å; F66-L186 HydrophobicContact CE2-CB 4.35Å; F66-L186 HydrophobicContact CE2-CD1 4.43Å; F66-L186 HydrophobicContact CZ-CB 3.79Å; F66-L186 HydrophobicContact CZ-CD1 3.73Å; F66-L186 HydrophobicContact CZ-CG 4.41Å; F66-F189 HydrophobicContact CB-CD1 3.84Å; F66-F189 HydrophobicContact CB-CD2 4.18Å; F66-F189 HydrophobicContact CB-CE1 3.83Å; F66-F189 HydrophobicContact CB-CE2 4.16Å; F66-F189 HydrophobicContact CB-CG 4.02Å; F66-F189 HydrophobicContact CB-CZ 3.99Å; F66-F189 HydrophobicContact CD2-CB 3.67Å; F66-F189 HydrophobicContact CD2-CD1 4.26Å; F66-F189 AromaticContact CD2-CD2 3.99Å; F66-F189 HydrophobicContact CD2-CD2 3.99Å; F66-F189 AromaticContact CD2-CG 3.72Å; F66-F189 HydrophobicContact CD2-CG 3.72Å; F66-F189 HydrophobicContact CE2-CB 4.2Å; F66-F189 HydrophobicContact CG-CD1 4.39Å; F66-F189 HydrophobicContact CG-CG 4.28Å
67	C	98.6	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-33.9	177	-66.1	0	0	0	0	112.3	F63 Y64 T69 L70 R71 P75 A78 L86	F63-C67 PolarHBondContact O-N 3.33Å; F63-C67 PolarHBondContact O-SG 3.49Å; Y64-C67 WeakPolarHBondContact O-CB 3.42Å; Y64-C67 PolarHBondContact O-N 3.21Å; Y64-C67 VanDerWaalsContact O-N 3.14Å; C67-T69 VanDerWaalsContact C-N 3.34Å; C67-T69 PolarHBondContact O-N 3.21Å; C67-L70 PolarHBondContact O-N 2.92Å; C67-R71 PolarHBondContact O-N 3.46Å; C67-P75 HydrophobicContact CB-CB 4.45Å; C67-P75 WeakPolarHBondContact CB-O 3.49Å; C67-A78 HydrophobicContact CB-CB 3.76Å; C67-A78 WeakPolarHBondContact O-CB 3.3Å; C67-L86 HydrophobicContact CB-CD2 4.24Å
68	K	97.7	Very high	96.9	Very high	73 Å²	73	39.5 Å²	39.5	32%	0.317	22%	0.22	S	C	.	.	H	α-helix	trans	-66.4	-30.6	172.4	-75.2	171.7	61	-152.8	0	113.6	Y64 E65 F66 L70 R71 A72 P75	Y64-K68 HydrophobicContact CD1-CD 3.95Å; Y64-K68 HydrophobicContact CE1-CD 3.46Å; Y64-K68 VanDerWaalsContact CE1-CD 3.46Å; Y64-K68 HydrophobicContact CE1-CG 4.2Å; Y64-K68 PolarHBondContact O-N 2.95Å; E65-K68 WeakPolarHBondContact O-CB 3.45Å; E65-K68 PolarHBondContact O-N 2.86Å; E65-K68 IonicContact OE1-NZ 3.92Å; E65-K68 PolarHBondContact OE1-NZ 3.41Å; E65-K68 IonicContact OE2-NZ 2.74Å; E65-K68 PolarHBondContact OE2-NZ 3.14Å; F66-K68 PolarHBondContact O-N 3.39Å; K68-L70 VanDerWaalsContact C-N 3.27Å; K68-R71 CarbonylContact O-C 3.57Å; K68-A72 WeakPolarHBondContact O-CA 3.31Å; K68-A72 PolarHBondContact O-N 3.38Å; K68-P75 HydrophobicContact CG-CB 3.63Å; K68-P75 HydrophobicContact CG-CG 4.07Å
69	T	97.2	Very high	97.2	Very high	92 Å²	92	36.2 Å²	36.2	56%	0.564	20%	0.199	S	C	*	.	H	α-helix	trans	-71.8	-26.1	174.8	72.4	0	0	0	0	112.2	E65 F66 C67 F189	E65-T69 WeakPolarHBondContact O-CG2 3.42Å; E65-T69 PolarHBondContact O-N 2.84Å; E65-T69 VanDerWaalsContact O-N 3.11Å; F66-T69 PolarHBondContact O-N 3.29Å; F66-T69 PolarHBondContact O-OG1 2.82Å; C67-T69 VanDerWaalsContact C-N 3.34Å; C67-T69 PolarHBondContact O-N 3.21Å; T69-F189 HydrophobicContact CG2-CD2 4.26Å; T69-F189 HydrophobicContact CG2-CE2 3.98Å
70	L	97.1	Very high	97.2	Very high	62 Å²	62	38.8 Å²	38.8	33%	0.325	21%	0.212	S	C	.	.	H	α-helix	trans	-79.6	-45.8	174.1	-57.6	177.7	0	0	0	111.7	F66 C67 K68 A78 L79 L182	F66-L70 HydrophobicContact CD1-CD1 4.34Å; F66-L70 HydrophobicContact CE1-CD1 3.68Å; F66-L70 HydrophobicContact CE1-CG 4.41Å; F66-L70 HydrophobicContact CE2-CD1 4.34Å; F66-L70 HydrophobicContact CE2-CD2 4.14Å; F66-L70 HydrophobicContact CE2-CG 4.26Å; F66-L70 HydrophobicContact CZ-CD1 3.7Å; F66-L70 HydrophobicContact CZ-CD2 4.11Å; F66-L70 HydrophobicContact CZ-CG 4.11Å; F66-L70 PolarHBondContact O-N 3.32Å; C67-L70 PolarHBondContact O-N 2.92Å; K68-L70 VanDerWaalsContact C-N 3.27Å; L70-A78 HydrophobicContact CB-CB 4.16Å; L70-A78 HydrophobicContact CD1-CB 4.43Å; L70-L79 HydrophobicContact CD1-CD2 3.94Å; L70-L182 HydrophobicContact CD1-CD1 3.45Å; L70-L182 VanDerWaalsContact CD1-CD1 3.45Å; L70-L182 HydrophobicContact CD2-CD1 4.11Å; L70-L182 HydrophobicContact CG-CD1 4.44Å
71	R	96.9	Very high	96.9	Very high	95 Å²	95	45.1 Å²	45.1	36%	0.358	25%	0.246	S	C	.	.			trans	-147.8	96.3	-176.4	-165.8	167.8	-177.7	-168.5	-9	111.2	C67 K68 D73 A74 P75 E77 A78	C67-R71 PolarHBondContact O-N 3.46Å; K68-R71 CarbonylContact O-C 3.57Å; R71-D73 WeakPolarHBondContact CG-OD1 3.23Å; R71-D73 IonicContact NE-OD1 2.79Å; R71-D73 IonicContact NE-OD2 3.91Å; R71-A74 HydrophobicContact CG-CB 4.26Å; R71-A74 CarbonylContact O-C 3.54Å; R71-P75 VanDerWaalsContact O-CA 3.31Å; R71-P75 WeakPolarHBondContact O-CA 3.42Å; R71-E77 IonicContact NH1-OE2 2.85Å; R71-E77 IonicContact NH2-OE2 3Å; R71-A78 HydrophobicContact CB-CB 3.99Å
72	A	95.3	Very high	96.6	Very high	82 Å²	82	45.3 Å²	45.3	68%	0.678	25%	0.246	S	C	*	.	S	Bend	trans	-70.7	-33	-172.1	0	0	0	0	0	113.9	K68	K68-A72 WeakPolarHBondContact O-CA 3.31Å; K68-A72 PolarHBondContact O-N 3.38Å
73	D	96.2	Very high	96.4	Very high	123 Å²	123	44.7 Å²	44.7	66%	0.658	25%	0.245	S	C	*	.	S	Bend	trans	-78.7	-34.1	-179.2	62.9	-43.9	0	0	0	112.8	R71	R71-D73 WeakPolarHBondContact CG-OD1 3.23Å; R71-D73 IonicContact NE-OD1 2.79Å; R71-D73 IonicContact NE-OD2 3.91Å
74	A	97.3	Very high	96.3	Very high	18 Å²	18	45 Å²	45	15%	0.149	25%	0.247	C	C	.	.			trans	-136.1	67.7	-178.6	0	0	0	0	0	111.6	R71 L76 E77 A78	R71-A74 HydrophobicContact CG-CB 4.26Å; R71-A74 CarbonylContact O-C 3.54Å; A74-L76 PolarHBondContact O-N 3.36Å; A74-E77 HydrophobicContact CB-CB 4.17Å; A74-E77 CarbonylContact O-C 3.54Å; A74-E77 PolarHBondContact O-N 2.99Å; A74-A78 PolarHBondContact O-N 2.82Å
75	P	97.8	Very high	96.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-65.2	-24.5	-176	25.9	-35.4	0	0	0	113.5	Y64 C67 K68 R71 E77 A78 H94	Y64-P75 HydrophobicContact CD2-CB 4.45Å; Y64-P75 HydrophobicContact CE2-CB 3.86Å; Y64-P75 HydrophobicContact CE2-CG 3.74Å; C67-P75 HydrophobicContact CB-CB 4.45Å; C67-P75 WeakPolarHBondContact CB-O 3.49Å; K68-P75 HydrophobicContact CG-CB 3.63Å; K68-P75 HydrophobicContact CG-CG 4.07Å; R71-P75 VanDerWaalsContact O-CA 3.31Å; R71-P75 WeakPolarHBondContact O-CA 3.42Å; P75-E77 PolarHBondContact O-N 3.32Å; P75-A78 WeakPolarHBondContact O-CB 3.15Å; P75-A78 PolarHBondContact O-N 2.82Å; P75-H94 VanDerWaalsContact CG-CE1 3.5Å; P75-H94 WeakPolarHBondContact CG-CE1 3.49Å; P75-H94 WeakPolarHBondContact CG-ND1 3.41Å
76	L	98.4	Very high	96.4	Very high	18 Å²	18	45.2 Å²	45.2	9%	0.094	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-68.3	-23.1	175	-60.9	179.4	0	0	0	112.9	A74 R85 L86 F90 E91 H94	A74-L76 PolarHBondContact O-N 3.36Å; L76-R85 WeakPolarHBondContact O-CG 3.43Å; L76-L86 HydrophobicContact CD2-CB 4Å; L76-L86 PolarHBondContact O-N 3.18Å; L76-F90 HydrophobicContact CD2-CB 3.82Å; L76-F90 WeakPolarHBondContact CD2-O 3.4Å; L76-E91 HydrophobicContact CD1-CG 3.75Å; L76-H94 HydrophobicContact CD1-CB 3.99Å; L76-H94 HydrophobicContact CD2-CB 3.92Å; L76-H94 HydrophobicContact CG-CB 4Å
77	E	97.9	Very high	96.4	Very high	73 Å²	73	45.2 Å²	45.2	34%	0.341	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-106.6	8.1	-177.2	-64.1	-175.7	178.5	0	0	112.6	R71 A74 P75 L79 L80	R71-E77 IonicContact NH1-OE2 2.85Å; R71-E77 IonicContact NH2-OE2 3Å; A74-E77 HydrophobicContact CB-CB 4.17Å; A74-E77 CarbonylContact O-C 3.54Å; A74-E77 PolarHBondContact O-N 2.99Å; P75-E77 PolarHBondContact O-N 3.32Å; E77-L79 PolarHBondContact O-N 3.46Å; E77-L80 HydrophobicContact CB-CD1 3.64Å; E77-L80 HydrophobicContact CB-CG 3.93Å; E77-L80 HydrophobicContact CG-CD1 3.87Å; E77-L80 HydrophobicContact CG-CG 4.4Å; E77-L80 WeakPolarHBondContact O-CG 3.49Å; E77-L80 PolarHBondContact O-N 2.96Å
78	A	97.7	Very high	96.4	Very high	19 Å²	19	45.2 Å²	45.2	16%	0.157	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.5	-175.6	0	0	0	0	0	114.2	C67 L70 R71 A74 P75	C67-A78 HydrophobicContact CB-CB 3.76Å; C67-A78 WeakPolarHBondContact O-CB 3.3Å; L70-A78 HydrophobicContact CB-CB 4.16Å; L70-A78 HydrophobicContact CD1-CB 4.43Å; R71-A78 HydrophobicContact CB-CB 3.99Å; A74-A78 PolarHBondContact O-N 2.82Å; P75-A78 WeakPolarHBondContact O-CB 3.15Å; P75-A78 PolarHBondContact O-N 2.82Å
79	L	96.1	Very high	96.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	12.5	-177.1	-55.3	179.6	0	0	0	113.2	F63 L70 E77 D81 V82 G83 F84 L86 L167 L182	F63-L79 HydrophobicContact CE1-CD1 4.14Å; F63-L79 HydrophobicContact CZ-CD1 3.97Å; L70-L79 HydrophobicContact CD1-CD2 3.94Å; E77-L79 PolarHBondContact O-N 3.46Å; L79-D81 VanDerWaalsContact C-N 3.28Å; L79-D81 PolarHBondContact O-N 2.87Å; L79-V82 HydrophobicContact CB-CG2 3.97Å; L79-V82 HydrophobicContact CD2-CG2 4.47Å; L79-V82 CarbonylContact O-C 3.6Å; L79-V82 WeakPolarHBondContact O-CG2 3.42Å; L79-V82 PolarHBondContact O-N 3.36Å; L79-V82 VanDerWaalsContact O-N 3.11Å; L79-G83 PolarHBondContact O-N 3.37Å; L79-F84 CarbonylContact C-O 3.41Å; L79-F84 HydrophobicContact CB-CB 3.84Å; L79-F84 WeakPolarHBondContact CB-O 3.35Å; L79-F84 HydrophobicContact CD1-CB 4.39Å; L79-F84 PolarHBondContact O-N 2.8Å; L79-F84 VanDerWaalsContact O-O 3.12Å; L79-L86 HydrophobicContact CD1-CD1 3.83Å; L79-L86 HydrophobicContact CG-CD1 4.22Å; L79-L167 HydrophobicContact CD1-CD1 4.46Å; L79-L167 HydrophobicContact CD1-CD2 4.04Å; L79-L167 HydrophobicContact CD2-CD2 4.11Å; L79-L182 HydrophobicContact CD2-CD1 4.1Å; L79-L182 HydrophobicContact CD2-CD2 4.02Å
80	L	94.5	Very high	96.5	Very high	62 Å²	62	37.4 Å²	37.4	33%	0.325	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-61.3	-35.9	-177.6	-76.2	-176.9	0	0	0	112.8	E77 V82 G83 F84 R85 T126	E77-L80 HydrophobicContact CB-CD1 3.64Å; E77-L80 HydrophobicContact CB-CG 3.93Å; E77-L80 HydrophobicContact CG-CD1 3.87Å; E77-L80 HydrophobicContact CG-CG 4.4Å; E77-L80 WeakPolarHBondContact O-CG 3.49Å; E77-L80 PolarHBondContact O-N 2.96Å; L80-V82 PolarHBondContact O-N 2.96Å; L80-G83 PolarHBondContact O-N 3.46Å; L80-F84 PolarHBondContact N-O 2.81Å; L80-R85 HydrophobicContact CD2-CB 4.13Å; L80-T126 HydrophobicContact CD2-CG2 3.84Å
81	D	90.8	Very high	96.5	Very high	133 Å²	133	34.6 Å²	34.6	71%	0.711	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-61.4	-25.7	178.5	-68.5	-12.4	0	0	0	112.6	L79 Q178	L79-D81 VanDerWaalsContact C-N 3.28Å; L79-D81 PolarHBondContact O-N 2.87Å; D81-Q178 PolarHBondContact O-OE1 3.48Å
82	V	91.4	Very high	96.5	Very high	17 Å²	17	30.5 Å²	30.5	10%	0.103	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-104.9	15.2	175.3	-60.8	0	0	0	0	112.9	L79 L80 F84 L171 H179 L182	L79-V82 HydrophobicContact CB-CG2 3.97Å; L79-V82 HydrophobicContact CD2-CG2 4.47Å; L79-V82 CarbonylContact O-C 3.6Å; L79-V82 WeakPolarHBondContact O-CG2 3.42Å; L79-V82 PolarHBondContact O-N 3.36Å; L79-V82 VanDerWaalsContact O-N 3.11Å; L80-V82 PolarHBondContact O-N 2.96Å; V82-F84 HydrophobicContact CG2-CD2 3.97Å; V82-F84 WeakPolarHBondContact O-CD2 3.28Å; V82-F84 VanDerWaalsContact O-CE2 3.3Å; V82-F84 WeakPolarHBondContact O-CE2 3.39Å; V82-L171 HydrophobicContact CB-CD2 3.97Å; V82-L171 HydrophobicContact CG1-CD2 3.93Å; V82-L171 HydrophobicContact CG2-CD2 4.22Å; V82-H179 VanDerWaalsContact CG1-CD2 3.43Å; V82-H179 WeakPolarHBondContact CG1-CD2 3.33Å; V82-L182 HydrophobicContact CB-CD2 4.25Å; V82-L182 HydrophobicContact CG1-CD2 3.66Å; V82-L182 HydrophobicContact CG2-CD2 3.62Å
83	G	92.7	Very high	96.6	Very high	7 Å²	7	26.6 Å²	26.6	7%	0.072	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	23.1	172.6	0	0	0	0	0	115.1	L79 L80 C125 T126	L79-G83 PolarHBondContact O-N 3.37Å; L80-G83 PolarHBondContact O-N 3.46Å; G83-C125 CarbonylContact O-C 3.54Å; G83-C125 VanDerWaalsContact O-CA 3.29Å; G83-C125 WeakPolarHBondContact O-CA 3.38Å; G83-C125 PolarHBondContact O-SG 2.9Å; G83-T126 VanDerWaalsContact CA-OG1 3.31Å; G83-T126 WeakPolarHBondContact CA-OG1 3.48Å; G83-T126 PolarHBondContact O-N 2.78Å; G83-T126 PolarHBondContact O-OG1 3.47Å
84	F	96.3	Very high	96.6	Very high	7 Å²	7	23.3 Å²	23.3	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.5	179.4	-62.2	-64.9	0	0	0	113.3	L79 L80 V82 I123 V124 C125 Y130 I132 L167 T170	L79-F84 CarbonylContact C-O 3.41Å; L79-F84 HydrophobicContact CB-CB 3.84Å; L79-F84 WeakPolarHBondContact CB-O 3.35Å; L79-F84 HydrophobicContact CD1-CB 4.39Å; L79-F84 PolarHBondContact O-N 2.8Å; L79-F84 VanDerWaalsContact O-O 3.12Å; L80-F84 PolarHBondContact N-O 2.81Å; V82-F84 HydrophobicContact CG2-CD2 3.97Å; V82-F84 WeakPolarHBondContact O-CD2 3.28Å; V82-F84 VanDerWaalsContact O-CE2 3.3Å; V82-F84 WeakPolarHBondContact O-CE2 3.39Å; F84-I123 HydrophobicContact CB-CG2 3.87Å; F84-I123 HydrophobicContact CD1-CG2 3.69Å; F84-I123 HydrophobicContact CG-CG2 4.06Å; F84-V124 WeakPolarHBondContact CA-O 3.4Å; F84-C125 HydrophobicContact CD1-CB 4.22Å; F84-C125 HydrophobicContact CE1-CB 3.91Å; F84-Y130 AromaticContact CE1-CE2 3.94Å; F84-Y130 HydrophobicContact CE1-CE2 3.94Å; F84-Y130 AromaticContact CE1-CZ 3.75Å; F84-Y130 WeakPolarHBondContact CE1-OH 3.46Å; F84-Y130 WeakPolarHBondContact CZ-OH 3.45Å; F84-I132 HydrophobicContact CE1-CD1 4.38Å; F84-L167 HydrophobicContact CD2-CD1 4.33Å; F84-T170 HydrophobicContact CE2-CG2 3.72Å; F84-T170 HydrophobicContact CZ-CG2 3.47Å; F84-T170 VanDerWaalsContact CZ-CG2 3.47Å
85	R	97.8	Very high	96.4	Very high	66 Å²	66	27.7 Å²	27.7	25%	0.249	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.3	169.7	-178	178.4	162	-171.6	-9.7	110.2	L76 L80 V87 E91 I123 V124 T126	L76-R85 WeakPolarHBondContact O-CG 3.43Å; L80-R85 HydrophobicContact CD2-CB 4.13Å; R85-V87 HydrophobicContact CG-CG1 4.2Å; R85-E91 IonicContact CZ-OE1 2.73Å; R85-E91 IonicContact NH2-OE1 3.29Å; R85-E91 PolarHBondContact NH2-OE1 3.27Å; R85-I123 WeakPolarHBondContact O-CA 3.39Å; R85-V124 HydrophobicContact CB-CG2 4.06Å; R85-V124 PolarHBondContact N-O 3.37Å; R85-V124 PolarHBondContact O-N 2.91Å; R85-T126 HydrophobicContact CB-CG2 3.96Å
86	L	98.7	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.3	172.8	-77.1	66.5	0	0	0	109.1	F63 C67 L76 L79 F90 I123	F63-L86 HydrophobicContact CD1-CD2 4.32Å; F63-L86 HydrophobicContact CE1-CD1 4.37Å; F63-L86 HydrophobicContact CE1-CD2 4.38Å; F63-L86 HydrophobicContact CE1-CG 4.49Å; C67-L86 HydrophobicContact CB-CD2 4.24Å; L76-L86 HydrophobicContact CD2-CB 4Å; L76-L86 PolarHBondContact O-N 3.18Å; L79-L86 HydrophobicContact CD1-CD1 3.83Å; L79-L86 HydrophobicContact CG-CD1 4.22Å; L86-F90 HydrophobicContact CB-CB 3.77Å; L86-F90 HydrophobicContact CB-CD2 3.78Å; L86-F90 HydrophobicContact CB-CG 3.91Å; L86-F90 HydrophobicContact CD2-CB 4.27Å; L86-F90 HydrophobicContact CD2-CD1 3.86Å; L86-F90 HydrophobicContact CD2-CD2 3.81Å; L86-F90 HydrophobicContact CD2-CE1 4.09Å; L86-F90 HydrophobicContact CD2-CE2 4.02Å; L86-F90 HydrophobicContact CD2-CG 3.73Å; L86-F90 HydrophobicContact CD2-CZ 4.15Å; L86-F90 HydrophobicContact CG-CB 4.45Å; L86-F90 HydrophobicContact CG-CD2 3.73Å; L86-F90 HydrophobicContact CG-CE2 4.05Å; L86-F90 HydrophobicContact CG-CG 4.06Å; L86-I123 HydrophobicContact CG-CG1 4.47Å
87	V	98.5	Very high	95.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.152	C	C	.	.			trans	-139.4	175.4	-172.5	-64.1	0	0	0	0	112.3	R85 P89 F90 Y110 T121 V122 V124	R85-V87 HydrophobicContact CG-CG1 4.2Å; V87-P89 WeakPolarHBondContact O-CD 3.28Å; V87-P89 VanDerWaalsContact O-N 3.16Å; V87-F90 PolarHBondContact O-N 3.11Å; V87-F90 VanDerWaalsContact O-N 3.1Å; V87-Y110 HydrophobicContact CB-CD1 3.96Å; V87-Y110 HydrophobicContact CB-CD2 4.2Å; V87-Y110 HydrophobicContact CB-CE1 3.61Å; V87-Y110 HydrophobicContact CB-CE2 3.9Å; V87-Y110 HydrophobicContact CB-CG 4.21Å; V87-Y110 HydrophobicContact CG1-CD1 4.35Å; V87-Y110 HydrophobicContact CG1-CE1 3.66Å; V87-Y110 HydrophobicContact CG2-CD1 3.84Å; V87-Y110 HydrophobicContact CG2-CD2 4.43Å; V87-Y110 HydrophobicContact CG2-CE1 4.01Å; V87-Y110 HydrophobicContact CG2-CG 4.04Å; V87-T121 HydrophobicContact CG2-CG2 3.93Å; V87-V122 PolarHBondContact N-O 3.01Å; V87-V124 HydrophobicContact CG1-CG1 4.4Å; V87-V124 HydrophobicContact CG1-CG2 3.75Å; V87-V124 HydrophobicContact CG2-CG1 3.93Å
88	G	97.7	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-115.4	167.1	0	0	0	0	0	111.1	F90 E91 I92	G88-F90 PolarHBondContact O-N 3.02Å; G88-E91 PolarHBondContact N-OE2 3.32Å; G88-E91 WeakPolarHBondContact O-CB 3.42Å; G88-E91 PolarHBondContact O-N 3.03Å; G88-I92 PolarHBondContact O-N 3.2Å
89	P	98.1	Very high	94.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-50.1	-37.4	173	-31.4	39.4	0	0	0	114.5	I48 F52 L54 F60 V87 I92 L93 V120 T121 V122	I48-P89 HydrophobicContact CD1-CB 4.4Å; I48-P89 WeakPolarHBondContact CD1-O 3.48Å; I48-P89 HydrophobicContact CG2-CB 3.84Å; I48-P89 HydrophobicContact CG2-CG 4.37Å; F52-P89 HydrophobicContact CD2-CG 4.02Å; F52-P89 HydrophobicContact CE2-CG 4.05Å; F52-P89 HydrophobicContact CG-CG 4.27Å; F52-P89 HydrophobicContact CZ-CG 4.32Å; L54-P89 HydrophobicContact CD2-CB 4.31Å; L54-P89 HydrophobicContact CD2-CG 3.84Å; F60-P89 HydrophobicContact CE2-CB 3.8Å; F60-P89 HydrophobicContact CZ-CB 3.57Å; V87-P89 WeakPolarHBondContact O-CD 3.28Å; V87-P89 VanDerWaalsContact O-N 3.16Å; P89-I92 PolarHBondContact O-N 3.18Å; P89-L93 PolarHBondContact O-N 2.97Å; P89-V120 HydrophobicContact CG-CG1 3.66Å; P89-T121 WeakPolarHBondContact CD-O 3.16Å; P89-V122 HydrophobicContact CB-CG1 4.32Å; P89-V122 HydrophobicContact CG-CG1 3.96Å
90	F	98.5	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70.4	-32.8	178.9	-77.3	-62.3	0	0	0	112.9	F60 F63 Y64 L76 L86 V87 G88 I92 L93 H94 V122 L163	F60-F90 HydrophobicContact CD2-CD1 4.27Å; F60-F90 AromaticContact CD2-CE1 3.59Å; F60-F90 HydrophobicContact CD2-CE1 3.59Å; F60-F90 HydrophobicContact CD2-CE2 4.07Å; F60-F90 AromaticContact CD2-CZ 3.48Å; F60-F90 HydrophobicContact CD2-CZ 3.48Å; F60-F90 VanDerWaalsContact CD2-CZ 3.48Å; F60-F90 HydrophobicContact CE1-CE1 4.5Å; F60-F90 AromaticContact CE2-CD1 3.52Å; F60-F90 HydrophobicContact CE2-CD1 3.52Å; F60-F90 AromaticContact CE2-CD2 3.87Å; F60-F90 HydrophobicContact CE2-CD2 3.87Å; F60-F90 AromaticContact CE2-CE1 3.32Å; F60-F90 HydrophobicContact CE2-CE1 3.32Å; F60-F90 AromaticContact CE2-CE2 3.71Å; F60-F90 HydrophobicContact CE2-CE2 3.71Å; F60-F90 AromaticContact CE2-CG 3.79Å; F60-F90 HydrophobicContact CE2-CG 3.79Å; F60-F90 AromaticContact CE2-CZ 3.42Å; F60-F90 HydrophobicContact CE2-CZ 3.42Å; F60-F90 VanDerWaalsContact CE2-CZ 3.42Å; F60-F90 HydrophobicContact CG-CE1 4.32Å; F60-F90 HydrophobicContact CG-CZ 4.48Å; F60-F90 AromaticContact CZ-CD1 3.67Å; F60-F90 HydrophobicContact CZ-CD1 3.67Å; F60-F90 AromaticContact CZ-CE1 3.81Å; F60-F90 HydrophobicContact CZ-CE1 3.81Å; F60-F90 HydrophobicContact CZ-CG 4.08Å; F60-F90 HydrophobicContact CZ-CZ 4.36Å; F60-F90 WeakPolarHBondContact O-CE1 3.43Å; F63-F90 HydrophobicContact CB-CZ 4.37Å; F63-F90 HydrophobicContact CD1-CE2 4.33Å; F63-F90 AromaticContact CD1-CZ 3.8Å; F63-F90 HydrophobicContact CD1-CZ 3.8Å; Y64-F90 HydrophobicContact CD2-CD1 4.2Å; Y64-F90 HydrophobicContact CG-CD1 4.49Å; L76-F90 HydrophobicContact CD2-CB 3.82Å; L76-F90 WeakPolarHBondContact CD2-O 3.4Å; L86-F90 HydrophobicContact CB-CB 3.77Å; L86-F90 HydrophobicContact CB-CD2 3.78Å; L86-F90 HydrophobicContact CB-CG 3.91Å; L86-F90 HydrophobicContact CD2-CB 4.27Å; L86-F90 HydrophobicContact CD2-CD1 3.86Å; L86-F90 HydrophobicContact CD2-CD2 3.81Å; L86-F90 HydrophobicContact CD2-CE1 4.09Å; L86-F90 HydrophobicContact CD2-CE2 4.02Å; L86-F90 HydrophobicContact CD2-CG 3.73Å; L86-F90 HydrophobicContact CD2-CZ 4.15Å; L86-F90 HydrophobicContact CG-CB 4.45Å; L86-F90 HydrophobicContact CG-CD2 3.73Å; L86-F90 HydrophobicContact CG-CE2 4.05Å; L86-F90 HydrophobicContact CG-CG 4.06Å; V87-F90 PolarHBondContact O-N 3.11Å; V87-F90 VanDerWaalsContact O-N 3.1Å; G88-F90 PolarHBondContact O-N 3.02Å; F90-I92 VanDerWaalsContact C-N 3.32Å; F90-I92 PolarHBondContact O-N 2.78Å; F90-L93 HydrophobicContact CD1-CD2 4.14Å; F90-L93 HydrophobicContact CE1-CD2 4.47Å; F90-L93 WeakPolarHBondContact O-CB 3.45Å; F90-L93 PolarHBondContact O-N 3.01Å; F90-H94 WeakPolarHBondContact O-CB 3.44Å; F90-H94 PolarHBondContact O-N 3.22Å; F90-V122 HydrophobicContact CD2-CB 4.03Å; F90-V122 WeakPolarHBondContact CD2-O 3.44Å; F90-V122 HydrophobicContact CE2-CB 3.9Å; F90-V122 HydrophobicContact CE2-CG2 4.41Å; F90-L163 HydrophobicContact CE2-CD1 4.14Å; F90-L163 HydrophobicContact CZ-CD1 3.66Å
91	E	98	Very high	94.4	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-41.1	174.4	-76.6	169.1	139.7	0	0	110.6	L76 R85 G88 H94 L95 Y110 F345	L76-E91 HydrophobicContact CD1-CG 3.75Å; R85-E91 IonicContact CZ-OE1 2.73Å; R85-E91 IonicContact NH2-OE1 3.29Å; R85-E91 PolarHBondContact NH2-OE1 3.27Å; G88-E91 PolarHBondContact N-OE2 3.32Å; G88-E91 WeakPolarHBondContact O-CB 3.42Å; G88-E91 PolarHBondContact O-N 3.03Å; E91-H94 PolarHBondContact O-N 3.45Å; E91-L95 WeakPolarHBondContact O-CB 3.5Å; E91-L95 WeakPolarHBondContact O-CG 3.32Å; E91-L95 PolarHBondContact O-N 3.33Å; E91-Y110 PolarHBondContact OE1-OH 2.73Å; E91-Y110 VanDerWaalsContact OE1-OH 3.05Å; E91-Y110 WeakPolarHBondContact OE2-CE2 3.36Å; E91-Y110 VanDerWaalsContact OE2-CZ 3.25Å; E91-Y110 PolarHBondContact OE2-OH 2.54Å; E91-F345 HydrophobicContact CB-CD2 4.08Å; E91-F345 WeakPolarHBondContact OE2-CD2 3.38Å
92	I	97	Very high	94.5	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.046	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-38.4	172.7	-56.5	-53.3	0	0	0	111.6	M47 I48 F52 G88 P89 F90 H94 G96 W106 F345	M47-I92 HydrophobicContact CB-CG2 4.23Å; I48-I92 HydrophobicContact CD1-CB 4.39Å; I48-I92 HydrophobicContact CD1-CG2 4.43Å; I48-I92 HydrophobicContact CG1-CB 3.81Å; I48-I92 HydrophobicContact CG1-CG2 3.66Å; F52-I92 HydrophobicContact CE2-CG1 3.96Å; G88-I92 PolarHBondContact O-N 3.2Å; P89-I92 PolarHBondContact O-N 3.18Å; F90-I92 VanDerWaalsContact C-N 3.32Å; F90-I92 PolarHBondContact O-N 2.78Å; I92-H94 VanDerWaalsContact C-N 3.26Å; I92-H94 PolarHBondContact O-N 3.37Å; I92-G96 WeakPolarHBondContact O-CA 3.37Å; I92-G96 PolarHBondContact O-N 3.44Å; I92-W106 HydrophobicContact CB-CZ3 4.24Å; I92-W106 HydrophobicContact CD1-CD2 4.16Å; I92-W106 HydrophobicContact CD1-CE3 4.12Å; I92-W106 HydrophobicContact CD1-CH2 3.81Å; I92-W106 HydrophobicContact CD1-CZ2 3.85Å; I92-W106 HydrophobicContact CD1-CZ3 3.97Å; I92-W106 HydrophobicContact CG1-CD2 4.3Å; I92-W106 HydrophobicContact CG1-CE3 3.82Å; I92-W106 HydrophobicContact CG1-CH2 4.06Å; I92-W106 HydrophobicContact CG1-CZ3 3.72Å; I92-W106 HydrophobicContact CG2-CE3 4.48Å; I92-W106 HydrophobicContact CG2-CH2 3.71Å; I92-W106 HydrophobicContact CG2-CZ3 3.57Å; I92-F345 HydrophobicContact CD1-CD1 4.39Å; I92-F345 HydrophobicContact CD1-CD2 4.48Å; I92-F345 HydrophobicContact CD1-CE1 3.87Å; I92-F345 HydrophobicContact CD1-CE2 3.96Å; I92-F345 HydrophobicContact CD1-CZ 3.63Å; I92-F345 HydrophobicContact CG1-CE2 4.1Å; I92-F345 HydrophobicContact CG1-CZ 4Å
93	L	96.8	Very high	94.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-35.5	175.3	-165.9	67.6	0	0	0	111.7	I41 R44 I45 I48 F60 Y64 P89 F90	I41-L93 HydrophobicContact CD1-CD1 4.39Å; I41-L93 HydrophobicContact CD1-CG 4.49Å; I41-L93 HydrophobicContact CG2-CD1 3.9Å; R44-L93 HydrophobicContact CB-CD1 4.19Å; R44-L93 WeakPolarHBondContact CD-O 3.11Å; R44-L93 PolarHBondContact NH1-O 3.37Å; I45-L93 HydrophobicContact CG1-CD1 3.87Å; I48-L93 HydrophobicContact CD1-CB 3.98Å; I48-L93 HydrophobicContact CD1-CD1 4.14Å; F60-L93 HydrophobicContact CD1-CD2 4.4Å; F60-L93 HydrophobicContact CE1-CB 4.36Å; F60-L93 HydrophobicContact CE1-CD1 4.28Å; F60-L93 HydrophobicContact CE1-CD2 3.79Å; F60-L93 HydrophobicContact CE1-CG 4.38Å; F60-L93 HydrophobicContact CZ-CB 4.43Å; F60-L93 HydrophobicContact CZ-CD2 4.22Å; Y64-L93 HydrophobicContact CD1-CD2 3.7Å; Y64-L93 HydrophobicContact CD1-CG 4.28Å; Y64-L93 HydrophobicContact CD2-CD2 4.14Å; Y64-L93 HydrophobicContact CE1-CD2 4.42Å; Y64-L93 HydrophobicContact CG-CD2 3.53Å; Y64-L93 HydrophobicContact CG-CG 4.39Å; P89-L93 PolarHBondContact O-N 2.97Å; F90-L93 HydrophobicContact CD1-CD2 4.14Å; F90-L93 HydrophobicContact CE1-CD2 4.47Å; F90-L93 WeakPolarHBondContact O-CB 3.45Å; F90-L93 PolarHBondContact O-N 3.01Å
94	H	96.2	Very high	94.8	Very high	54 Å²	54	49.3 Å²	49.3	25%	0.25	25%	0.253	C	S	.	.	H	α-helix	trans	-84.2	-38.1	-177.4	-176.7	61.5	0	0	0	113.8	R44 Y64 P75 L76 F90 E91 I92	R44-H94 PolarHBondContact NH1-O 2.9Å; Y64-H94 HydrophobicContact CE2-CB 4Å; Y64-H94 AromaticContact CZ-ND1 3.82Å; Y64-H94 PolarHBondContact OH-ND1 2.98Å; P75-H94 VanDerWaalsContact CG-CE1 3.5Å; P75-H94 WeakPolarHBondContact CG-CE1 3.49Å; P75-H94 WeakPolarHBondContact CG-ND1 3.41Å; L76-H94 HydrophobicContact CD1-CB 3.99Å; L76-H94 HydrophobicContact CD2-CB 3.92Å; L76-H94 HydrophobicContact CG-CB 4Å; F90-H94 WeakPolarHBondContact O-CB 3.44Å; F90-H94 PolarHBondContact O-N 3.22Å; E91-H94 PolarHBondContact O-N 3.45Å; I92-H94 VanDerWaalsContact C-N 3.26Å; I92-H94 PolarHBondContact O-N 3.37Å
95	L	93.3	Very high	94.8	Very high	110 Å²	110	52.2 Å²	52.2	58%	0.576	27%	0.267	S	S	*	.	H	α-helix	trans	-106.2	-23.8	-173.1	-58.6	174.6	0	0	0	113.4	E91	E91-L95 WeakPolarHBondContact O-CB 3.5Å; E91-L95 WeakPolarHBondContact O-CG 3.32Å; E91-L95 PolarHBondContact O-N 3.33Å
96	G	93.2	Very high	94.7	Very high	13 Å²	13	49.6 Å²	49.6	13%	0.134	26%	0.257	C	S	.	.			trans	68.1	-169	-169.7	0	0	0	0	0	113.2	I92	I92-G96 WeakPolarHBondContact O-CA 3.37Å; I92-G96 PolarHBondContact O-N 3.44Å
97	S	89.8	Confident	94.6	Very high	24 Å²	24	49.9 Å²	49.9	17%	0.168	26%	0.259	C	S	.	.			trans	-120.9	137.9	168.4	-178.7	0	0	0	0	109.9	E99	S97-E99 PolarHBondContact OG-N 3.41Å; S97-E99 PolarHBondContact OG-O 3.33Å
98	K	85.1	Confident	94.5	Very high	221 Å²	221	50.7 Å²	50.7	96%	0.961	26%	0.263	S	S	*	.	S	Bend	trans	-80.9	-26.6	171.7	-66.8	-177.9	-179.5	176.3	0	111.9
99	E	87.6	Confident	94.6	Very high	136 Å²	136	53.8 Å²	53.8	64%	0.636	28%	0.275	S	S	*	.	S	Bend	trans	-102.1	153	-178.3	-64.5	-178.4	177.5	0	0	111.1	S97 V101	S97-E99 PolarHBondContact OG-N 3.41Å; S97-E99 PolarHBondContact OG-O 3.33Å; E99-V101 PolarHBondContact O-N 3.07Å
100	P	90.2	Very high	94.5	Very high	119 Å²	119	54.4 Å²	54.4	77%	0.773	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-55.1	126	170.1	-23.4	34	0	0	0	110.7
101	V	93.7	Very high	94.5	Very high	13 Å²	13	54.9 Å²	54.9	8%	0.079	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-75.7	130.3	-178.8	-177.4	0	0	0	0	109	M47 Q50 E99 Q105 W106	M47-V101 HydrophobicContact CB-CG2 3.95Å; M47-V101 HydrophobicContact CE-CG2 4.45Å; M47-V101 HydrophobicContact CG-CG2 3.79Å; M47-V101 HydrophobicContact SD-CG2 4.39Å; Q50-V101 HydrophobicContact CB-CG1 4.1Å; Q50-V101 HydrophobicContact CG-CG1 4.11Å; Q50-V101 PolarHBondContact NE2-O 3.24Å; Q50-V101 PolarHBondContact OE1-O 3.43Å; E99-V101 PolarHBondContact O-N 3.07Å; V101-Q105 VanDerWaalsContact CA-OE1 3.31Å; V101-W106 HydrophobicContact CB-CH2 4.33Å; V101-W106 HydrophobicContact CG1-CE3 4.47Å; V101-W106 HydrophobicContact CG1-CH2 3.9Å; V101-W106 HydrophobicContact CG1-CZ2 4.26Å; V101-W106 HydrophobicContact CG1-CZ3 3.98Å; V101-W106 HydrophobicContact CG2-CH2 3.41Å; V101-W106 VanDerWaalsContact CG2-CH2 3.41Å; V101-W106 HydrophobicContact CG2-CZ2 3.86Å; V101-W106 HydrophobicContact CG2-CZ3 4.19Å
102	T	94.5	Very high	94.5	Very high	85 Å²	85	56.2 Å²	56.2	52%	0.521	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-92.9	153.1	170.3	61.2	0	0	0	0	110.4	G104 Q105	T102-G104 PolarHBondContact O-N 2.86Å; T102-Q105 WeakPolarHBondContact O-CB 3.46Å; T102-Q105 PolarHBondContact O-N 2.81Å; T102-Q105 VanDerWaalsContact O-N 3.17Å; T102-Q105 WeakPolarHBondContact OG1-CB 3.01Å
103	K	94.5	Very high	94.5	Very high	157 Å²	157	55.8 Å²	55.8	68%	0.683	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	124.9	179.3	-76.3	-173.7	177.9	-172.1	0	109.7	Q50 Q105	Q50-K103 HydrophobicContact CG-CG 3.92Å; Q50-K103 WeakPolarHBondContact O-CA 3.26Å; K103-Q105 VanDerWaalsContact C-N 3.26Å; K103-Q105 PolarHBondContact O-N 3.11Å
104	G	95.3	Very high	94.6	Very high	18 Å²	18	56 Å²	56	19%	0.186	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	9	178.5	0	0	0	0	0	115.2	Q50 G51 H53 T102 W106 S107	Q50-G104 PolarHBondContact O-N 2.92Å; G51-G104 CarbonylContact O-C 3.55Å; G51-G104 VanDerWaalsContact O-CA 3.24Å; G51-G104 WeakPolarHBondContact O-CA 3.47Å; H53-G104 WeakPolarHBondContact NE2-CA 3.42Å; H53-G104 PolarHBondContact NE2-N 3.28Å; T102-G104 PolarHBondContact O-N 2.86Å; G104-W106 PolarHBondContact O-N 2.84Å; G104-S107 VanDerWaalsContact CA-OG 3.22Å; G104-S107 WeakPolarHBondContact CA-OG 3.34Å; G104-S107 VanDerWaalsContact O-CB 3.32Å; G104-S107 WeakPolarHBondContact O-CB 3.5Å; G104-S107 PolarHBondContact O-N 3.27Å; G104-S107 PolarHBondContact O-OG 3.36Å
105	Q	96.2	Very high	94.7	Very high	68 Å²	68	53.5 Å²	53.5	32%	0.318	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-33.5	-177.1	-173.2	175.4	-11.2	0	0	114.1	G51 V101 T102 K103	G51-Q105 PolarHBondContact O-N 3.49Å; V101-Q105 VanDerWaalsContact CA-OE1 3.31Å; T102-Q105 WeakPolarHBondContact O-CB 3.46Å; T102-Q105 PolarHBondContact O-N 2.81Å; T102-Q105 VanDerWaalsContact O-N 3.17Å; T102-Q105 WeakPolarHBondContact OG1-CB 3.01Å; K103-Q105 VanDerWaalsContact C-N 3.26Å; K103-Q105 PolarHBondContact O-N 3.11Å
106	W	96.6	Very high	95	Very high	10 Å²	10	48.3 Å²	48.3	4%	0.038	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	12.6	-174.4	-54.1	-42.2	0	0	0	113.3	M47 G51 F52 I92 V101 G104 N108 Y109 F345	M47-W106 HydrophobicContact CB-CH2 4.26Å; M47-W106 HydrophobicContact CB-CZ3 4.28Å; M47-W106 WeakPolarHBondContact O-CZ3 3.33Å; G51-W106 PolarHBondContact O-N 2.77Å; F52-W106 HydrophobicContact CD1-CB 4.12Å; F52-W106 WeakPolarHBondContact CD1-O 3.23Å; F52-W106 HydrophobicContact CD2-CB 4.17Å; F52-W106 AromaticContact CD2-CE3 3.89Å; F52-W106 HydrophobicContact CD2-CE3 3.89Å; F52-W106 HydrophobicContact CE1-CB 3.76Å; F52-W106 WeakPolarHBondContact CE1-O 3.36Å; F52-W106 HydrophobicContact CE2-CB 3.81Å; F52-W106 HydrophobicContact CE2-CD2 4.3Å; F52-W106 AromaticContact CE2-CE3 3.76Å; F52-W106 HydrophobicContact CE2-CE3 3.76Å; F52-W106 HydrophobicContact CE2-CG 4.38Å; F52-W106 HydrophobicContact CG-CB 4.31Å; F52-W106 HydrophobicContact CZ-CB 3.59Å; F52-W106 HydrophobicContact CZ-CG 4.44Å; I92-W106 HydrophobicContact CB-CZ3 4.24Å; I92-W106 HydrophobicContact CD1-CD2 4.16Å; I92-W106 HydrophobicContact CD1-CE3 4.12Å; I92-W106 HydrophobicContact CD1-CH2 3.81Å; I92-W106 HydrophobicContact CD1-CZ2 3.85Å; I92-W106 HydrophobicContact CD1-CZ3 3.97Å; I92-W106 HydrophobicContact CG1-CD2 4.3Å; I92-W106 HydrophobicContact CG1-CE3 3.82Å; I92-W106 HydrophobicContact CG1-CH2 4.06Å; I92-W106 HydrophobicContact CG1-CZ3 3.72Å; I92-W106 HydrophobicContact CG2-CE3 4.48Å; I92-W106 HydrophobicContact CG2-CH2 3.71Å; I92-W106 HydrophobicContact CG2-CZ3 3.57Å; V101-W106 HydrophobicContact CB-CH2 4.33Å; V101-W106 HydrophobicContact CG1-CE3 4.47Å; V101-W106 HydrophobicContact CG1-CH2 3.9Å; V101-W106 HydrophobicContact CG1-CZ2 4.26Å; V101-W106 HydrophobicContact CG1-CZ3 3.98Å; V101-W106 HydrophobicContact CG2-CH2 3.41Å; V101-W106 VanDerWaalsContact CG2-CH2 3.41Å; V101-W106 HydrophobicContact CG2-CZ2 3.86Å; V101-W106 HydrophobicContact CG2-CZ3 4.19Å; G104-W106 PolarHBondContact O-N 2.84Å; W106-N108 PolarHBondContact O-N 2.95Å; W106-Y109 HydrophobicContact CB-CD2 3.98Å; W106-Y109 HydrophobicContact CB-CG 4.42Å; W106-Y109 AromaticContact CD1-CE2 3.95Å; W106-Y109 HydrophobicContact CG-CD2 4.46Å; W106-Y109 WeakPolarHBondContact O-CB 3.2Å; W106-Y109 PolarHBondContact O-N 3.38Å; W106-F345 HydrophobicContact CB-CE1 4.49Å; W106-F345 HydrophobicContact CB-CZ 3.9Å; W106-F345 AromaticContact CD1-CE1 3.5Å; W106-F345 AromaticContact CD1-CZ 3.76Å; W106-F345 HydrophobicContact CD2-CE1 4.29Å; W106-F345 HydrophobicContact CD2-CZ 4.03Å; W106-F345 AromaticContact CG-CE1 3.87Å; W106-F345 HydrophobicContact CG-CE1 3.87Å; W106-F345 AromaticContact CG-CZ 3.62Å; W106-F345 HydrophobicContact CG-CZ 3.62Å; W106-F345 AromaticContact NE1-CE1 3.72Å
107	S	96.3	Very high	95.2	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.042	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28	-172.8	-62.4	0	0	0	0	114.5	G51 G104 R111	G51-S107 PolarHBondContact O-N 2.98Å; G104-S107 VanDerWaalsContact CA-OG 3.22Å; G104-S107 WeakPolarHBondContact CA-OG 3.34Å; G104-S107 VanDerWaalsContact O-CB 3.32Å; G104-S107 WeakPolarHBondContact O-CB 3.5Å; G104-S107 PolarHBondContact O-N 3.27Å; G104-S107 PolarHBondContact O-OG 3.36Å; S107-R111 VanDerWaalsContact O-CZ 3.28Å; S107-R111 PolarHBondContact O-NE 2.64Å; S107-R111 PolarHBondContact O-NH2 3.47Å
108	N	96.7	Very high	95.6	Very high	18 Å²	18	46.9 Å²	46.9	10%	0.096	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.9	179.1	-74	-1	0	0	0	114.2	W106 R111 S333 L343	W106-N108 PolarHBondContact O-N 2.95Å; N108-R111 PolarHBondContact O-N 2.92Å; N108-S333 VanDerWaalsContact ND2-C 3.35Å; N108-S333 PolarHBondContact ND2-O 3.45Å; N108-S333 VanDerWaalsContact ND2-O 3.11Å; N108-S333 PolarHBondContact ND2-OG 2.78Å; N108-L343 HydrophobicContact CB-CD1 4.23Å
109	Y	98.1	Very high	96.2	Very high	66 Å²	66	36.4 Å²	36.4	26%	0.259	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-74.5	129.4	176.4	-75.2	-108.4	0	0	0	109.5	W106 R111 L343 T344 F345	W106-Y109 HydrophobicContact CB-CD2 3.98Å; W106-Y109 HydrophobicContact CB-CG 4.42Å; W106-Y109 AromaticContact CD1-CE2 3.95Å; W106-Y109 HydrophobicContact CG-CD2 4.46Å; W106-Y109 WeakPolarHBondContact O-CB 3.2Å; W106-Y109 PolarHBondContact O-N 3.38Å; Y109-R111 PolarHBondContact O-N 3.07Å; Y109-R111 VanDerWaalsContact O-N 3.13Å; Y109-L343 CarbonylContact C-O 3.49Å; Y109-L343 WeakPolarHBondContact CA-O 3.41Å; Y109-L343 HydrophobicContact CD1-CB 4.12Å; Y109-L343 HydrophobicContact CD2-CB 4.41Å; Y109-L343 HydrophobicContact CE1-CB 4.34Å; Y109-L343 HydrophobicContact CE2-CD1 4.41Å; Y109-L343 HydrophobicContact CG-CB 4.17Å; Y109-T344 VanDerWaalsContact CE1-O 3.32Å; Y109-T344 WeakPolarHBondContact CE1-O 3.42Å; Y109-F345 AromaticContact CD1-CD1 3.53Å; Y109-F345 HydrophobicContact CD1-CD1 3.53Å; Y109-F345 HydrophobicContact CD1-CD2 4.01Å; Y109-F345 AromaticContact CD1-CE1 3.42Å; Y109-F345 HydrophobicContact CD1-CE1 3.42Å; Y109-F345 VanDerWaalsContact CD1-CE1 3.42Å; Y109-F345 AromaticContact CD1-CE2 3.93Å; Y109-F345 HydrophobicContact CD1-CE2 3.93Å; Y109-F345 AromaticContact CD1-CG 3.82Å; Y109-F345 HydrophobicContact CD1-CG 3.82Å; Y109-F345 AromaticContact CD1-CZ 3.63Å; Y109-F345 HydrophobicContact CD1-CZ 3.63Å; Y109-F345 HydrophobicContact CD2-CE1 4.33Å; Y109-F345 HydrophobicContact CD2-CZ 4.36Å; Y109-F345 AromaticContact CE1-CD1 3.42Å; Y109-F345 HydrophobicContact CE1-CD1 3.42Å; Y109-F345 VanDerWaalsContact CE1-CD1 3.42Å; Y109-F345 AromaticContact CE1-CE1 3.49Å; Y109-F345 HydrophobicContact CE1-CE1 3.49Å; Y109-F345 VanDerWaalsContact CE1-CE1 3.49Å; Y109-F345 HydrophobicContact CE1-CG 4.06Å; Y109-F345 HydrophobicContact CE1-CZ 4.19Å; Y109-F345 HydrophobicContact CE2-CE1 4.38Å; Y109-F345 HydrophobicContact CG-CD1 4.41Å; Y109-F345 AromaticContact CG-CE1 3.86Å; Y109-F345 HydrophobicContact CG-CE1 3.86Å; Y109-F345 HydrophobicContact CG-CE2 4.17Å; Y109-F345 AromaticContact CG-CZ 3.72Å; Y109-F345 HydrophobicContact CG-CZ 3.72Å; Y109-F345 AromaticContact CZ-CE1 3.97Å
110	Y	97.8	Very high	96.7	Very high	12 Å²	12	30.1 Å²	30.1	5%	0.047	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	27.1	-171.2	-60.3	-87.5	0	0	0	113.9	V87 E91 F112 T121 V124 L343 T344 F345	V87-Y110 HydrophobicContact CB-CD1 3.96Å; V87-Y110 HydrophobicContact CB-CD2 4.2Å; V87-Y110 HydrophobicContact CB-CE1 3.61Å; V87-Y110 HydrophobicContact CB-CE2 3.9Å; V87-Y110 HydrophobicContact CB-CG 4.21Å; V87-Y110 HydrophobicContact CG1-CD1 4.35Å; V87-Y110 HydrophobicContact CG1-CE1 3.66Å; V87-Y110 HydrophobicContact CG2-CD1 3.84Å; V87-Y110 HydrophobicContact CG2-CD2 4.43Å; V87-Y110 HydrophobicContact CG2-CE1 4.01Å; V87-Y110 HydrophobicContact CG2-CG 4.04Å; E91-Y110 PolarHBondContact OE1-OH 2.73Å; E91-Y110 VanDerWaalsContact OE1-OH 3.05Å; E91-Y110 WeakPolarHBondContact OE2-CE2 3.36Å; E91-Y110 VanDerWaalsContact OE2-CZ 3.25Å; E91-Y110 PolarHBondContact OE2-OH 2.54Å; Y110-F112 WeakPolarHBondContact O-CD2 3.29Å; Y110-T121 VanDerWaalsContact O-CB 3.23Å; Y110-T121 WeakPolarHBondContact O-CB 3.5Å; Y110-T121 PolarHBondContact O-OG1 2.82Å; Y110-V124 HydrophobicContact CD1-CG1 4.3Å; Y110-L343 PolarHBondContact N-O 3.28Å; Y110-T344 HydrophobicContact CD1-CG2 4.48Å; Y110-T344 HydrophobicContact CE1-CG2 3.81Å; Y110-F345 HydrophobicContact CE2-CD2 4.08Å
111	R	97.9	Very high	97.1	Very high	11 Å²	11	24.6 Å²	24.6	4%	0.042	12%	0.122	C	C	.	.			trans	-91.4	106.7	170.8	-179.5	173.4	-62	-66.7	-14.3	108.9	S107 N108 Y109 D115 P116 F119 H334 P342	S107-R111 VanDerWaalsContact O-CZ 3.28Å; S107-R111 PolarHBondContact O-NE 2.64Å; S107-R111 PolarHBondContact O-NH2 3.47Å; N108-R111 PolarHBondContact O-N 2.92Å; Y109-R111 PolarHBondContact O-N 3.07Å; Y109-R111 VanDerWaalsContact O-N 3.13Å; R111-D115 HydrophobicContact CG-CB 3.96Å; R111-D115 PolarHBondContact NH1-O 3.45Å; R111-P116 PolarHBondContact NH1-O 3.45Å; R111-F119 PolarHBondContact NH1-O 3.31Å; R111-F119 PolarHBondContact NH2-O 2.87Å; R111-H334 WeakPolarHBondContact CD-ND1 3.46Å; R111-P342 WeakPolarHBondContact O-CB 3.11Å
112	F	97.6	Very high	97.4	Very high	30 Å²	30	24 Å²	24	13%	0.132	12%	0.118	C	C	.	.			trans	-80.6	166.1	-178.7	-67.2	-100.4	0	0	0	111.4	Y110 H114 D115 T121 V124 H131 P150 H334 P342	Y110-F112 WeakPolarHBondContact O-CD2 3.29Å; F112-H114 VanDerWaalsContact C-N 3.27Å; F112-H114 PolarHBondContact O-N 3.03Å; F112-D115 WeakPolarHBondContact CB-OD2 2.88Å; F112-D115 PolarHBondContact N-OD2 2.78Å; F112-D115 WeakPolarHBondContact O-CB 3.44Å; F112-D115 PolarHBondContact O-N 3.15Å; F112-T121 HydrophobicContact CE2-CG2 4.25Å; F112-V124 HydrophobicContact CZ-CG1 4.25Å; F112-H131 VanDerWaalsContact CB-CE1 3.47Å; F112-H131 WeakPolarHBondContact CB-CE1 3.48Å; F112-H131 HydrophobicContact CD2-CB 4.34Å; F112-H131 AromaticContact CD2-CD2 3.4Å; F112-H131 WeakPolarHBondContact CD2-CD2 3.2Å; F112-H131 AromaticContact CD2-CE1 3.3Å; F112-H131 WeakPolarHBondContact CD2-CE1 3.17Å; F112-H131 AromaticContact CD2-CG 3.55Å; F112-H131 AromaticContact CD2-ND1 3.54Å; F112-H131 AromaticContact CD2-NE2 3.24Å; F112-H131 WeakPolarHBondContact CD2-NE2 3.32Å; F112-H131 HydrophobicContact CE2-CB 3.76Å; F112-H131 AromaticContact CE2-CD2 3.66Å; F112-H131 AromaticContact CE2-CE1 4Å; F112-H131 AromaticContact CE2-CG 3.49Å; F112-H131 VanDerWaalsContact CE2-CG 3.49Å; F112-H131 AromaticContact CE2-ND1 3.76Å; F112-H131 AromaticContact CE2-NE2 3.98Å; F112-H131 AromaticContact CG-CE1 3.33Å; F112-H131 WeakPolarHBondContact CG-CE1 3.06Å; F112-H131 AromaticContact CG-ND1 3.71Å; F112-H131 AromaticContact CG-NE2 3.7Å; F112-H131 HydrophobicContact CZ-CB 4.12Å; F112-P150 HydrophobicContact CB-CB 4.29Å; F112-P150 HydrophobicContact CB-CG 4.11Å; F112-P150 HydrophobicContact CD1-CG 3.88Å; F112-P150 HydrophobicContact CG-CG 4.22Å; F112-H334 PolarHBondContact O-CE1 2.94Å; F112-P342 HydrophobicContact CD1-CG 3.95Å; F112-P342 HydrophobicContact CD2-CG 4.3Å; F112-P342 HydrophobicContact CE1-CG 3.69Å; F112-P342 HydrophobicContact CE2-CG 4.04Å; F112-P342 HydrophobicContact CG-CG 4.27Å; F112-P342 HydrophobicContact CZ-CG 3.74Å
113	Y	97.9	Very high	97.6	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-40.9	-169.2	-168.3	-96	0	0	0	115.3	L301 A304 N305 R338 I340	Y113-L301 HydrophobicContact CD1-CD1 3.54Å; Y113-L301 HydrophobicContact CD1-CD2 3.56Å; Y113-L301 HydrophobicContact CD1-CG 3.48Å; Y113-L301 VanDerWaalsContact CD1-CG 3.48Å; Y113-L301 HydrophobicContact CD2-CD2 4.26Å; Y113-L301 HydrophobicContact CD2-CG 4.28Å; Y113-L301 HydrophobicContact CE1-CD1 3.45Å; Y113-L301 VanDerWaalsContact CE1-CD1 3.45Å; Y113-L301 HydrophobicContact CE1-CD2 4.16Å; Y113-L301 HydrophobicContact CE1-CG 3.52Å; Y113-L301 HydrophobicContact CE2-CG 4.33Å; Y113-L301 HydrophobicContact CG-CD1 4.42Å; Y113-L301 HydrophobicContact CG-CD2 3.63Å; Y113-L301 HydrophobicContact CG-CG 3.88Å; Y113-L301 PolarHBondContact OH-O 3.45Å; Y113-A304 HydrophobicContact CE1-CB 4.3Å; Y113-A304 WeakPolarHBondContact OH-CB 3.29Å; Y113-N305 VanDerWaalsContact CE2-OD1 3.27Å; Y113-N305 WeakPolarHBondContact CE2-OD1 3.48Å; Y113-N305 PolarHBondContact OH-N 2.93Å; Y113-N305 PolarHBondContact OH-OD1 3.07Å; Y113-R338 VanDerWaalsContact CD1-NH2 3.33Å; Y113-R338 HydrophobicContact CD2-CG 3.84Å; Y113-R338 HydrophobicContact CE2-CG 3.77Å; Y113-R338 VanDerWaalsContact CZ-CZ 3.49Å; Y113-R338 PolarHBondContact O-NE 2.85Å; Y113-R338 PolarHBondContact O-NH2 3.18Å; Y113-I340 HydrophobicContact CD2-CG1 4.18Å
114	H	98.2	Very high	97.7	Very high	5 Å²	5	14 Å²	14	2%	0.023	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.2	-178.7	-64.6	-61.9	0	0	0	114.2	F112 P116 P150 N153 L292 F294 H295	F112-H114 VanDerWaalsContact C-N 3.27Å; F112-H114 PolarHBondContact O-N 3.03Å; H114-P116 WeakPolarHBondContact O-CD 3.31Å; H114-P150 PolarHBondContact CD2-O 3.35Å; H114-N153 PolarHBondContact CD2-O 2.89Å; H114-L292 PolarHBondContact ND1-O 2.92Å; H114-F294 PolarHBondContact CE1-O 3.09Å; H114-H295 AromaticContact CE1-ND1 3.96Å; H114-H295 AromaticContact NE2-CG 3.96Å; H114-H295 AromaticContact NE2-ND1 3.15Å; H114-H295 PolarHBondContact NE2-ND1 2.91Å; H114-H295 VanDerWaalsContact NE2-ND1 3.15Å
115	D	98.5	Very high	97.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.065	C	C	.	.			trans	-71.3	123	-168.2	-72.1	-8.9	0	0	0	111.7	R111 F112 F119 H131 H334	R111-D115 HydrophobicContact CG-CB 3.96Å; R111-D115 PolarHBondContact NH1-O 3.45Å; F112-D115 WeakPolarHBondContact CB-OD2 2.88Å; F112-D115 PolarHBondContact N-OD2 2.78Å; F112-D115 WeakPolarHBondContact O-CB 3.44Å; F112-D115 PolarHBondContact O-N 3.15Å; D115-F119 HydrophobicContact CB-CD1 4.1Å; D115-H131 IonicContact OD1-CE1 3.95Å; D115-H131 IonicContact OD1-NE2 3.86Å; D115-H131 PolarHBondContact OD1-NE2 3.39Å; D115-H131 IonicContact OD2-CD2 3.23Å; D115-H131 IonicContact OD2-CE1 2.94Å; D115-H131 IonicContact OD2-NE2 2.94Å; D115-H131 PolarHBondContact OD2-NE2 3.19Å; D115-H334 PolarHBondContact O-CE1 3.2Å; D115-H334 VanDerWaalsContact O-CE1 3.3Å; D115-H334 PolarHBondContact O-ND1 3.37Å
116	P	98.5	Very high	97.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.072	C	C	.	.			trans	-78.8	163	176.5	37.3	-38.6	0	0	0	111.1	R111 H114 E118 F119 F135 L156 L289 L292	R111-P116 PolarHBondContact NH1-O 3.45Å; H114-P116 WeakPolarHBondContact O-CD 3.31Å; P116-E118 WeakPolarHBondContact CB-OE2 3.43Å; P116-E118 PolarHBondContact O-N 3.2Å; P116-E118 VanDerWaalsContact O-N 3.13Å; P116-F119 HydrophobicContact CG-CB 4.12Å; P116-F119 WeakPolarHBondContact O-CB 3.33Å; P116-F119 PolarHBondContact O-N 3Å; P116-F135 HydrophobicContact CG-CE2 4.02Å; P116-L156 HydrophobicContact CG-CD1 3.77Å; P116-L289 HydrophobicContact CB-CD2 3.57Å; P116-L292 HydrophobicContact CB-CD2 3.98Å
117	P	98.2	Very high	97	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33	179.7	-29.4	37.9	0	0	0	114.9	F119 R136 Y319 F327 V330 I331	P117-F119 PolarHBondContact O-N 3.43Å; P117-F119 VanDerWaalsContact O-N 3.15Å; P117-R136 PolarHBondContact O-NH1 3.5Å; P117-R136 PolarHBondContact O-NH2 2.98Å; P117-Y319 HydrophobicContact CB-CE2 4.46Å; P117-Y319 HydrophobicContact CG-CD2 4.49Å; P117-Y319 HydrophobicContact CG-CE2 3.73Å; P117-F327 HydrophobicContact CB-CB 3.62Å; P117-F327 HydrophobicContact CB-CD1 3.77Å; P117-F327 HydrophobicContact CB-CG 3.76Å; P117-F327 HydrophobicContact CG-CB 4.28Å; P117-F327 WeakPolarHBondContact CG-O 3.37Å; P117-V330 HydrophobicContact CB-CB 4.02Å; P117-V330 HydrophobicContact CB-CG1 3.93Å; P117-V330 HydrophobicContact CG-CB 4.4Å; P117-V330 HydrophobicContact CG-CG1 4.25Å; P117-I331 HydrophobicContact CG-CB 3.78Å; P117-I331 HydrophobicContact CG-CD1 4.37Å
118	E	98.2	Very high	96.4	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.023	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.9	176.5	-68.3	87	165.1	0	0	113.1	P116 F135 R136 Y319 F327	P116-E118 WeakPolarHBondContact CB-OE2 3.43Å; P116-E118 PolarHBondContact O-N 3.2Å; P116-E118 VanDerWaalsContact O-N 3.13Å; E118-F135 HydrophobicContact CB-CD1 4.33Å; E118-F135 HydrophobicContact CB-CD2 3.96Å; E118-F135 HydrophobicContact CB-CE1 3.91Å; E118-F135 HydrophobicContact CB-CE2 3.5Å; E118-F135 VanDerWaalsContact CB-CE2 3.5Å; E118-F135 HydrophobicContact CB-CG 4.37Å; E118-F135 HydrophobicContact CB-CZ 3.47Å; E118-F135 VanDerWaalsContact CB-CZ 3.47Å; E118-F135 HydrophobicContact CG-CE1 4.25Å; E118-F135 HydrophobicContact CG-CE2 4.34Å; E118-F135 HydrophobicContact CG-CZ 3.87Å; E118-F135 CarbonylContact O-C 3.48Å; E118-F135 VanDerWaalsContact O-CA 3.26Å; E118-F135 WeakPolarHBondContact O-CA 3.41Å; E118-R136 VanDerWaalsContact CB-O 3.22Å; E118-R136 WeakPolarHBondContact CB-O 3.16Å; E118-R136 WeakPolarHBondContact CG-O 3.43Å; E118-R136 PolarHBondContact O-N 2.68Å; E118-R136 PolarHBondContact O-NH1 2.72Å; E118-Y319 WeakPolarHBondContact OE1-CE1 3.47Å; E118-Y319 VanDerWaalsContact OE1-CZ 3.26Å; E118-Y319 PolarHBondContact OE1-OH 3.03Å; E118-Y319 PolarHBondContact OE2-OH 2.99Å; E118-F327 HydrophobicContact CG-CD2 4.31Å; E118-F327 HydrophobicContact CG-CE2 3.76Å; E118-F327 HydrophobicContact CG-CZ 4.13Å
119	F	98.5	Very high	96.1	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131	-176.9	-167.6	-96.6	0	0	0	112	R111 D115 P116 P117 H131 G133 Y134 F135 A146 L156	R111-F119 PolarHBondContact NH1-O 3.31Å; R111-F119 PolarHBondContact NH2-O 2.87Å; D115-F119 HydrophobicContact CB-CD1 4.1Å; P116-F119 HydrophobicContact CG-CB 4.12Å; P116-F119 WeakPolarHBondContact O-CB 3.33Å; P116-F119 PolarHBondContact O-N 3Å; P117-F119 PolarHBondContact O-N 3.43Å; P117-F119 VanDerWaalsContact O-N 3.15Å; F119-H131 AromaticContact CE1-CD2 3.43Å; F119-H131 VanDerWaalsContact CE1-CD2 3.43Å; F119-H131 WeakPolarHBondContact CE1-CD2 3.15Å; F119-H131 AromaticContact CE1-NE2 3.52Å; F119-H131 AromaticContact CZ-CD2 3.91Å; F119-G133 WeakPolarHBondContact CE2-O 3.38Å; F119-Y134 CarbonylContact C-O 3.52Å; F119-Y134 WeakPolarHBondContact CA-O 3.35Å; F119-F135 HydrophobicContact CB-CD2 4.26Å; F119-F135 HydrophobicContact CD2-CB 4.26Å; F119-F135 HydrophobicContact CD2-CD2 4.23Å; F119-A146 HydrophobicContact CD2-CB 4.43Å; F119-A146 HydrophobicContact CE2-CB 3.96Å; F119-A146 WeakPolarHBondContact CE2-O 3.37Å; F119-L156 HydrophobicContact CD2-CD2 4.03Å; F119-L156 HydrophobicContact CE2-CD2 4.03Å; F119-L156 HydrophobicContact CG-CD2 4.38Å; F119-L156 HydrophobicContact CZ-CD2 4.39Å
120	V	98.3	Very high	96	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	116.5	172.5	171.2	0	0	0	0	108.9	F52 L54 P89 G133 Y134	F52-V120 HydrophobicContact CB-CG1 4.47Å; F52-V120 HydrophobicContact CD1-CG1 3.91Å; F52-V120 HydrophobicContact CE1-CG1 4.46Å; F52-V120 HydrophobicContact CG-CG1 4.33Å; L54-V120 HydrophobicContact CD2-CB 4.49Å; L54-V120 HydrophobicContact CD2-CG1 4.05Å; P89-V120 HydrophobicContact CG-CG1 3.66Å; V120-G133 CarbonylContact O-C 3.56Å; V120-G133 WeakPolarHBondContact O-CA 3.38Å; V120-Y134 PolarHBondContact N-O 3.5Å; V120-Y134 PolarHBondContact O-N 3.04Å
121	T	98.6	Very high	96	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	136.1	178.6	-55.5	0	0	0	0	111.5	V87 P89 Y110 F112 V124 H131	V87-T121 HydrophobicContact CG2-CG2 3.93Å; P89-T121 WeakPolarHBondContact CD-O 3.16Å; Y110-T121 VanDerWaalsContact O-CB 3.23Å; Y110-T121 WeakPolarHBondContact O-CB 3.5Å; Y110-T121 PolarHBondContact O-OG1 2.82Å; F112-T121 HydrophobicContact CE2-CG2 4.25Å; T121-V124 HydrophobicContact CG2-CG1 4.21Å; T121-H131 HydrophobicContact CG2-CB 3.95Å; T121-H131 PolarHBondContact OG1-CD2 2.88Å; T121-H131 VanDerWaalsContact OG1-CD2 3.25Å
122	V	98.6	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	-22.2	175.7	-64	0	0	0	0	112.6	F60 V87 P89 F90 I132 Y134 L145 L163	F60-V122 HydrophobicContact CE2-CG1 4.45Å; V87-V122 PolarHBondContact N-O 3.01Å; P89-V122 HydrophobicContact CB-CG1 4.32Å; P89-V122 HydrophobicContact CG-CG1 3.96Å; F90-V122 HydrophobicContact CD2-CB 4.03Å; F90-V122 WeakPolarHBondContact CD2-O 3.44Å; F90-V122 HydrophobicContact CE2-CB 3.9Å; F90-V122 HydrophobicContact CE2-CG2 4.41Å; V122-I132 PolarHBondContact N-O 2.84Å; V122-Y134 HydrophobicContact CG1-CD2 3.67Å; V122-Y134 HydrophobicContact CG1-CE2 3.95Å; V122-L145 HydrophobicContact CG2-CD1 4.36Å; V122-L163 HydrophobicContact CG2-CD2 3.94Å
123	I	98.6	Very high	96.1	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.041	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.5	177.9	-67.4	167.3	0	0	0	108.7	F63 F84 R85 L86 I132 L163	F63-I123 HydrophobicContact CE1-CD1 4.05Å; F63-I123 HydrophobicContact CZ-CD1 4.3Å; F84-I123 HydrophobicContact CB-CG2 3.87Å; F84-I123 HydrophobicContact CD1-CG2 3.69Å; F84-I123 HydrophobicContact CG-CG2 4.06Å; R85-I123 WeakPolarHBondContact O-CA 3.39Å; L86-I123 HydrophobicContact CG-CG1 4.47Å; I123-I132 HydrophobicContact CB-CB 4.21Å; I123-I132 HydrophobicContact CG2-CD1 4.46Å; I123-I132 PolarHBondContact N-O 3.01Å; I123-I132 PolarHBondContact O-N 2.91Å; I123-I132 VanDerWaalsContact O-O 3.13Å; I123-L163 HydrophobicContact CD1-CD2 3.96Å
124	V	97.8	Very high	96.1	Very high	26 Å²	26	23.6 Å²	23.6	16%	0.158	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.5	166.8	-66.5	0	0	0	0	109.8	F84 R85 V87 Y110 F112 T121 H131	F84-V124 WeakPolarHBondContact CA-O 3.4Å; R85-V124 HydrophobicContact CB-CG2 4.06Å; R85-V124 PolarHBondContact N-O 3.37Å; R85-V124 PolarHBondContact O-N 2.91Å; V87-V124 HydrophobicContact CG1-CG1 4.4Å; V87-V124 HydrophobicContact CG1-CG2 3.75Å; V87-V124 HydrophobicContact CG2-CG1 3.93Å; Y110-V124 HydrophobicContact CD1-CG1 4.3Å; F112-V124 HydrophobicContact CZ-CG1 4.25Å; T121-V124 HydrophobicContact CG2-CG1 4.21Å; V124-H131 HydrophobicContact CG1-CB 4.2Å
125	C	95.4	Very high	96.1	Very high	13 Å²	13	23.7 Å²	23.7	9%	0.088	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.7	165.2	-166.4	0	0	0	0	108.4	G83 F84 S127 E128 Y130	G83-C125 CarbonylContact O-C 3.54Å; G83-C125 VanDerWaalsContact O-CA 3.29Å; G83-C125 WeakPolarHBondContact O-CA 3.38Å; G83-C125 PolarHBondContact O-SG 2.9Å; F84-C125 HydrophobicContact CD1-CB 4.22Å; F84-C125 HydrophobicContact CE1-CB 3.91Å; C125-S127 PolarHBondContact SG-OG 3.18Å; C125-E128 HydrophobicContact CB-CB 4.35Å; C125-E128 WeakPolarHBondContact CB-O 3.36Å; C125-E128 VanDerWaalsContact O-O 3.06Å; C125-E128 PolarHBondContact SG-N 3.38Å; C125-E128 VanDerWaalsContact SG-N 3.43Å; C125-Y130 HydrophobicContact CB-CD1 3.88Å; C125-Y130 HydrophobicContact CB-CD2 4.05Å; C125-Y130 HydrophobicContact CB-CE1 3.76Å; C125-Y130 HydrophobicContact CB-CE2 3.92Å; C125-Y130 HydrophobicContact CB-CG 4.02Å; C125-Y130 WeakPolarHBondContact CB-O 3.14Å; C125-Y130 PolarHBondContact N-O 3.27Å
126	T	92	Very high	96	Very high	75 Å²	75	23.7 Å²	23.7	46%	0.46	13%	0.129	S	C	.	.	S	Bend	trans	-90.4	-20.9	-178.2	59.1	0	0	0	0	112.4	L80 G83 R85	L80-T126 HydrophobicContact CD2-CG2 3.84Å; G83-T126 VanDerWaalsContact CA-OG1 3.31Å; G83-T126 WeakPolarHBondContact CA-OG1 3.48Å; G83-T126 PolarHBondContact O-N 2.78Å; G83-T126 PolarHBondContact O-OG1 3.47Å; R85-T126 HydrophobicContact CB-CG2 3.96Å
127	S	85.6	Confident	95.9	Very high	88 Å²	88	24.5 Å²	24.5	62%	0.615	13%	0.133	S	C	*	.	S	Bend	trans	-97.2	-27	178.2	53.7	0	0	0	0	113.4	C125	C125-S127 PolarHBondContact SG-OG 3.18Å
128	E	84	Confident	95.6	Very high	103 Å²	103	26.1 Å²	26.1	48%	0.481	14%	0.144	S	C	.	.	S	Bend	trans	-124	157.1	-178.2	-60.5	178.8	-148.1	0	0	111	C125 Y130	C125-E128 HydrophobicContact CB-CB 4.35Å; C125-E128 WeakPolarHBondContact CB-O 3.36Å; C125-E128 VanDerWaalsContact O-O 3.06Å; C125-E128 PolarHBondContact SG-N 3.38Å; C125-E128 VanDerWaalsContact SG-N 3.43Å; E128-Y130 HydrophobicContact CB-CD1 3.61Å; E128-Y130 HydrophobicContact CB-CE1 3.85Å; E128-Y130 HydrophobicContact CG-CE1 4.36Å; E128-Y130 PolarHBondContact O-N 2.91Å; E128-Y130 WeakPolarHBondContact OE2-CD1 3.45Å; E128-Y130 VanDerWaalsContact OE2-CE1 3.29Å; E128-Y130 WeakPolarHBondContact OE2-CE1 3.48Å
129	Q	89.2	Confident	95.2	Very high	129 Å²	129	26.8 Å²	26.8	60%	0.603	15%	0.149	S	C	*	.	S	Bend	trans	-85.4	48	-175.6	-64.2	-65.8	-49.1	0	0	112.3	T149	Q129-T149 WeakPolarHBondContact O-CG2 3.46Å
130	Y	95.8	Very high	94.6	Very high	25 Å²	25	32.8 Å²	32.8	10%	0.098	18%	0.177	C	C	.	.			trans	-130.8	155.6	175.8	80.1	-102.6	0	0	0	112.4	F84 C125 E128 I132 K147 S148 T149	F84-Y130 AromaticContact CE1-CE2 3.94Å; F84-Y130 HydrophobicContact CE1-CE2 3.94Å; F84-Y130 AromaticContact CE1-CZ 3.75Å; F84-Y130 WeakPolarHBondContact CE1-OH 3.46Å; F84-Y130 WeakPolarHBondContact CZ-OH 3.45Å; C125-Y130 HydrophobicContact CB-CD1 3.88Å; C125-Y130 HydrophobicContact CB-CD2 4.05Å; C125-Y130 HydrophobicContact CB-CE1 3.76Å; C125-Y130 HydrophobicContact CB-CE2 3.92Å; C125-Y130 HydrophobicContact CB-CG 4.02Å; C125-Y130 WeakPolarHBondContact CB-O 3.14Å; C125-Y130 PolarHBondContact N-O 3.27Å; E128-Y130 HydrophobicContact CB-CD1 3.61Å; E128-Y130 HydrophobicContact CB-CE1 3.85Å; E128-Y130 HydrophobicContact CG-CE1 4.36Å; E128-Y130 PolarHBondContact O-N 2.91Å; E128-Y130 WeakPolarHBondContact OE2-CD1 3.45Å; E128-Y130 VanDerWaalsContact OE2-CE1 3.29Å; E128-Y130 WeakPolarHBondContact OE2-CE1 3.48Å; Y130-I132 HydrophobicContact CD2-CG1 4.31Å; Y130-I132 HydrophobicContact CE2-CD1 3.96Å; Y130-I132 HydrophobicContact CE2-CG1 4.01Å; Y130-K147 HydrophobicContact CD2-CB 4.35Å; Y130-S148 CarbonylContact C-O 3.49Å; Y130-S148 WeakPolarHBondContact CA-O 3.33Å; Y130-S148 WeakPolarHBondContact CB-O 3.48Å; Y130-T149 WeakPolarHBondContact CB-OG1 2.96Å
131	H	98.2	Very high	94.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.4	178.7	60.1	-79.1	0	0	0	111	F112 D115 F119 T121 V124 K147 S148	F112-H131 VanDerWaalsContact CB-CE1 3.47Å; F112-H131 WeakPolarHBondContact CB-CE1 3.48Å; F112-H131 HydrophobicContact CD2-CB 4.34Å; F112-H131 AromaticContact CD2-CD2 3.4Å; F112-H131 WeakPolarHBondContact CD2-CD2 3.2Å; F112-H131 AromaticContact CD2-CE1 3.3Å; F112-H131 WeakPolarHBondContact CD2-CE1 3.17Å; F112-H131 AromaticContact CD2-CG 3.55Å; F112-H131 AromaticContact CD2-ND1 3.54Å; F112-H131 AromaticContact CD2-NE2 3.24Å; F112-H131 WeakPolarHBondContact CD2-NE2 3.32Å; F112-H131 HydrophobicContact CE2-CB 3.76Å; F112-H131 AromaticContact CE2-CD2 3.66Å; F112-H131 AromaticContact CE2-CE1 4Å; F112-H131 AromaticContact CE2-CG 3.49Å; F112-H131 VanDerWaalsContact CE2-CG 3.49Å; F112-H131 AromaticContact CE2-ND1 3.76Å; F112-H131 AromaticContact CE2-NE2 3.98Å; F112-H131 AromaticContact CG-CE1 3.33Å; F112-H131 WeakPolarHBondContact CG-CE1 3.06Å; F112-H131 AromaticContact CG-ND1 3.71Å; F112-H131 AromaticContact CG-NE2 3.7Å; F112-H131 HydrophobicContact CZ-CB 4.12Å; D115-H131 IonicContact OD1-CE1 3.95Å; D115-H131 IonicContact OD1-NE2 3.86Å; D115-H131 PolarHBondContact OD1-NE2 3.39Å; D115-H131 IonicContact OD2-CD2 3.23Å; D115-H131 IonicContact OD2-CE1 2.94Å; D115-H131 IonicContact OD2-NE2 2.94Å; D115-H131 PolarHBondContact OD2-NE2 3.19Å; F119-H131 AromaticContact CE1-CD2 3.43Å; F119-H131 VanDerWaalsContact CE1-CD2 3.43Å; F119-H131 WeakPolarHBondContact CE1-CD2 3.15Å; F119-H131 AromaticContact CE1-NE2 3.52Å; F119-H131 AromaticContact CZ-CD2 3.91Å; T121-H131 HydrophobicContact CG2-CB 3.95Å; T121-H131 PolarHBondContact OG1-CD2 2.88Å; T121-H131 VanDerWaalsContact OG1-CD2 3.25Å; V124-H131 HydrophobicContact CG1-CB 4.2Å; H131-K147 CarbonylContact O-C 3.56Å; H131-K147 WeakPolarHBondContact O-CA 3.49Å; H131-S148 WeakPolarHBondContact CE1-CB 3.23Å; H131-S148 PolarHBondContact CE1-OG 2.95Å; H131-S148 PolarHBondContact N-O 2.99Å; H131-S148 PolarHBondContact ND1-O 3.5Å; H131-S148 PolarHBondContact O-N 3.42Å
132	I	98.6	Very high	93.9	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.5	-179.3	-63.9	162.5	0	0	0	108.4	F84 V122 I123 Y130 L145 A146 K147	F84-I132 HydrophobicContact CE1-CD1 4.38Å; V122-I132 PolarHBondContact N-O 2.84Å; I123-I132 HydrophobicContact CB-CB 4.21Å; I123-I132 HydrophobicContact CG2-CD1 4.46Å; I123-I132 PolarHBondContact N-O 3.01Å; I123-I132 PolarHBondContact O-N 2.91Å; I123-I132 VanDerWaalsContact O-O 3.13Å; Y130-I132 HydrophobicContact CD2-CG1 4.31Å; Y130-I132 HydrophobicContact CE2-CD1 3.96Å; Y130-I132 HydrophobicContact CE2-CG1 4.01Å; I132-L145 HydrophobicContact CG2-CB 4.33Å; I132-L145 HydrophobicContact CG2-CD1 4.08Å; I132-L145 HydrophobicContact CG2-CG 4.5Å; I132-A146 WeakPolarHBondContact CA-O 3.04Å; I132-K147 HydrophobicContact CG1-CB 3.93Å
133	G	98.5	Very high	93.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.7	-176.6	0	0	0	0	0	112.8	F119 V120 L145 A146	F119-G133 WeakPolarHBondContact CE2-O 3.38Å; V120-G133 CarbonylContact O-C 3.56Å; V120-G133 WeakPolarHBondContact O-CA 3.38Å; G133-L145 WeakPolarHBondContact O-CA 3.4Å; G133-A146 PolarHBondContact N-O 3.28Å; G133-A146 PolarHBondContact O-N 3.47Å
134	Y	98.5	Very high	93.7	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	122.3	168.2	-76	-54.3	0	0	0	109.8	L54 D59 F60 F119 V120 V122 P143 F144 L145 L163	L54-Y134 HydrophobicContact CD1-CD2 4.36Å; L54-Y134 HydrophobicContact CD2-CD2 4.13Å; D59-Y134 PolarHBondContact OD2-OH 2.92Å; F60-Y134 HydrophobicContact CB-CE2 4.34Å; F60-Y134 AromaticContact CD2-CE2 3.77Å; F60-Y134 HydrophobicContact CD2-CE2 3.77Å; F60-Y134 HydrophobicContact CG-CE2 4.39Å; F119-Y134 CarbonylContact C-O 3.52Å; F119-Y134 WeakPolarHBondContact CA-O 3.35Å; V120-Y134 PolarHBondContact N-O 3.5Å; V120-Y134 PolarHBondContact O-N 3.04Å; V122-Y134 HydrophobicContact CG1-CD2 3.67Å; V122-Y134 HydrophobicContact CG1-CE2 3.95Å; Y134-P143 HydrophobicContact CD1-CB 3.64Å; Y134-P143 HydrophobicContact CD1-CG 3.68Å; Y134-P143 HydrophobicContact CE1-CG 4.12Å; Y134-P143 HydrophobicContact CG-CB 3.91Å; Y134-P143 HydrophobicContact CG-CG 4.03Å; Y134-F144 CarbonylContact C-O 3.6Å; Y134-F144 WeakPolarHBondContact CA-O 3.39Å; Y134-L145 HydrophobicContact CD1-CD1 3.55Å; Y134-L145 HydrophobicContact CD1-CD2 3.9Å; Y134-L145 HydrophobicContact CD1-CG 4.39Å; Y134-L145 HydrophobicContact CE1-CD1 3.67Å; Y134-L145 HydrophobicContact CE1-CD2 3.61Å; Y134-L145 HydrophobicContact CE1-CG 4.31Å; Y134-L145 HydrophobicContact CG-CD1 4.23Å; Y134-L163 HydrophobicContact CE1-CG 4.38Å; Y134-L163 WeakPolarHBondContact OH-CD1 3.22Å; Y134-L163 WeakPolarHBondContact OH-CG 3.13Å
135	F	98.4	Very high	93.8	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.9	166.7	-167.3	-80.4	0	0	0	109.8	P116 E118 F119 P143 F144 A146 L156 I219	P116-F135 HydrophobicContact CG-CE2 4.02Å; E118-F135 HydrophobicContact CB-CD1 4.33Å; E118-F135 HydrophobicContact CB-CD2 3.96Å; E118-F135 HydrophobicContact CB-CE1 3.91Å; E118-F135 HydrophobicContact CB-CE2 3.5Å; E118-F135 VanDerWaalsContact CB-CE2 3.5Å; E118-F135 HydrophobicContact CB-CG 4.37Å; E118-F135 HydrophobicContact CB-CZ 3.47Å; E118-F135 VanDerWaalsContact CB-CZ 3.47Å; E118-F135 HydrophobicContact CG-CE1 4.25Å; E118-F135 HydrophobicContact CG-CE2 4.34Å; E118-F135 HydrophobicContact CG-CZ 3.87Å; E118-F135 CarbonylContact O-C 3.48Å; E118-F135 VanDerWaalsContact O-CA 3.26Å; E118-F135 WeakPolarHBondContact O-CA 3.41Å; F119-F135 HydrophobicContact CB-CD2 4.26Å; F119-F135 HydrophobicContact CD2-CB 4.26Å; F119-F135 HydrophobicContact CD2-CD2 4.23Å; F135-P143 CarbonylContact O-C 3.36Å; F135-P143 WeakPolarHBondContact O-CA 3.2Å; F135-P143 WeakPolarHBondContact O-CB 3.5Å; F135-F144 HydrophobicContact CB-CD2 4.23Å; F135-F144 HydrophobicContact CB-CE1 4.19Å; F135-F144 HydrophobicContact CB-CE2 3.71Å; F135-F144 HydrophobicContact CB-CZ 3.7Å; F135-F144 AromaticContact CD1-CE1 3.58Å; F135-F144 HydrophobicContact CD1-CE1 3.58Å; F135-F144 HydrophobicContact CD1-CE2 4.18Å; F135-F144 AromaticContact CD1-CZ 3.29Å; F135-F144 HydrophobicContact CD1-CZ 3.29Å; F135-F144 HydrophobicContact CE1-CE1 4.45Å; F135-F144 HydrophobicContact CE1-CZ 4.16Å; F135-F144 HydrophobicContact CG-CE1 4.28Å; F135-F144 HydrophobicContact CG-CE2 4.14Å; F135-F144 AromaticContact CG-CZ 3.71Å; F135-F144 HydrophobicContact CG-CZ 3.71Å; F135-F144 PolarHBondContact N-O 3.23Å; F135-F144 PolarHBondContact O-N 2.95Å; F135-A146 HydrophobicContact CB-CB 4.37Å; F135-L156 HydrophobicContact CD2-CD1 3.99Å; F135-L156 HydrophobicContact CE2-CD1 3.9Å; F135-I219 HydrophobicContact CD1-CG1 4.37Å; F135-I219 HydrophobicContact CD2-CG1 4.23Å; F135-I219 HydrophobicContact CD2-CG2 4.3Å; F135-I219 HydrophobicContact CE1-CG1 4.37Å; F135-I219 HydrophobicContact CE1-CG2 4.27Å; F135-I219 HydrophobicContact CE2-CB 4.45Å; F135-I219 HydrophobicContact CE2-CG1 4.24Å; F135-I219 HydrophobicContact CE2-CG2 3.52Å; F135-I219 HydrophobicContact CG-CG1 4.29Å; F135-I219 HydrophobicContact CZ-CG1 4.31Å; F135-I219 HydrophobicContact CZ-CG2 3.51Å
136	R	96.7	Very high	93.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	20%	0.195	C	C	.	.			trans	-136.3	130.4	-179.1	62.1	-134.6	-172.1	-83.5	2.8	111.6	F52 H53 P117 E118 S138 S141 P143 F327	F52-R136 PolarHBondContact O-NH2 3.21Å; H53-R136 PolarHBondContact O-NE 3.29Å; H53-R136 PolarHBondContact O-NH2 2.88Å; P117-R136 PolarHBondContact O-NH1 3.5Å; P117-R136 PolarHBondContact O-NH2 2.98Å; E118-R136 VanDerWaalsContact CB-O 3.22Å; E118-R136 WeakPolarHBondContact CB-O 3.16Å; E118-R136 WeakPolarHBondContact CG-O 3.43Å; E118-R136 PolarHBondContact O-N 2.68Å; E118-R136 PolarHBondContact O-NH1 2.72Å; R136-S138 WeakPolarHBondContact CB-O 3.46Å; R136-S138 WeakPolarHBondContact CG-O 3.19Å; R136-S138 PolarHBondContact O-N 3.17Å; R136-S141 WeakPolarHBondContact CB-OG 3.18Å; R136-P143 HydrophobicContact CB-CB 4.28Å; R136-F327 HydrophobicContact CG-CE1 4.47Å; R136-F327 HydrophobicContact CG-CZ 3.93Å
137	D	96	Very high	94.2	Very high	18 Å²	18	36.3 Å²	36.3	10%	0.096	18%	0.184	C	C	.	.	S	Bend	trans	-65.9	-27.9	-179.8	-72.5	-42.8	0	0	0	112	S141 R207 V222 R324	D137-S141 PolarHBondContact N-OG 3.28Å; D137-R207 IonicContact OD1-CZ 3.47Å; D137-R207 VanDerWaalsContact OD1-CZ 3.23Å; D137-R207 IonicContact OD1-NE 2.84Å; D137-R207 PolarHBondContact OD1-NE 2.8Å; D137-R207 IonicContact OD1-NH2 3.85Å; D137-R207 PolarHBondContact OD1-NH2 2.99Å; D137-R207 IonicContact OD2-CZ 2.64Å; D137-R207 IonicContact OD2-NE 3.76Å; D137-R207 PolarHBondContact OD2-NE 3.26Å; D137-R207 IonicContact OD2-NH2 2.72Å; D137-V222 HydrophobicContact CB-CB 4.1Å; D137-V222 HydrophobicContact CB-CG1 4.47Å; D137-R324 PolarHBondContact O-NH1 2.87Å; D137-R324 PolarHBondContact O-NH2 2.94Å
138	S	92.8	Very high	94.8	Very high	35 Å²	35	32.1 Å²	32.1	25%	0.245	16%	0.155	C	C	.	.	S	Bend	trans	-146.8	166.7	169.2	74.8	0	0	0	0	110.3	R136 E140 S141	R136-S138 WeakPolarHBondContact CB-O 3.46Å; R136-S138 WeakPolarHBondContact CG-O 3.19Å; R136-S138 PolarHBondContact O-N 3.17Å; S138-E140 PolarHBondContact O-N 2.75Å; S138-E140 VanDerWaalsContact O-N 3.14Å; S138-E140 PolarHBondContact OG-N 2.81Å; S138-S141 PolarHBondContact N-OG 3.3Å; S138-S141 PolarHBondContact O-N 2.84Å; S138-S141 VanDerWaalsContact O-N 3.16Å; S138-S141 PolarHBondContact O-OG 2.97Å; S138-S141 PolarHBondContact OG-N 3.12Å; S138-S141 VanDerWaalsContact OG-N 3.15Å
139	C	88	Confident	95.4	Very high	18 Å²	18	28.8 Å²	28.8	12%	0.122	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.7	175.8	-67.3	0	0	0	0	113.9	F327	C139-F327 WeakPolarHBondContact SG-CE1 3.38Å
140	E	87.3	Confident	95.6	Very high	128 Å²	128	23.1 Å²	23.1	60%	0.598	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-17.9	-179.4	-66.7	-53.4	136.7	0	0	114	K55 S138	K55-E140 IonicContact NZ-OE2 3.99Å; K55-E140 PolarHBondContact NZ-OE2 3.37Å; S138-E140 PolarHBondContact O-N 2.75Å; S138-E140 VanDerWaalsContact O-N 3.14Å; S138-E140 PolarHBondContact OG-N 2.81Å
141	S	90.4	Very high	95.5	Very high	20 Å²	20	26.4 Å²	26.4	14%	0.14	13%	0.133	C	C	.	.	S	Bend	trans	-68.4	147.9	-178.1	67.9	0	0	0	0	112	R136 D137 S138	R136-S141 WeakPolarHBondContact CB-OG 3.18Å; D137-S141 PolarHBondContact N-OG 3.28Å; S138-S141 PolarHBondContact N-OG 3.3Å; S138-S141 PolarHBondContact O-N 2.84Å; S138-S141 VanDerWaalsContact O-N 3.16Å; S138-S141 PolarHBondContact O-OG 2.97Å; S138-S141 PolarHBondContact OG-N 3.12Å; S138-S141 VanDerWaalsContact OG-N 3.15Å
142	K	91.4	Very high	95.2	Very high	124 Å²	124	33.4 Å²	33.4	54%	0.539	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-64.3	125	171.7	-175.7	175.2	-178.9	173.2	0	109.6
143	P	96.5	Very high	95	Very high	3 Å²	3	36 Å²	36	2%	0.019	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-75.9	160.4	-178.9	32.2	-36.5	0	0	0	112.2	Y134 F135 R136	Y134-P143 HydrophobicContact CD1-CB 3.64Å; Y134-P143 HydrophobicContact CD1-CG 3.68Å; Y134-P143 HydrophobicContact CE1-CG 4.12Å; Y134-P143 HydrophobicContact CG-CB 3.91Å; Y134-P143 HydrophobicContact CG-CG 4.03Å; F135-P143 CarbonylContact O-C 3.36Å; F135-P143 WeakPolarHBondContact O-CA 3.2Å; F135-P143 WeakPolarHBondContact O-CB 3.5Å; R136-P143 HydrophobicContact CB-CB 4.28Å
144	F	97.5	Very high	95	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	171.7	162.2	60.9	-90	0	0	0	109.6	Y134 F135 A146 Y158 Y203 I219	Y134-F144 CarbonylContact C-O 3.6Å; Y134-F144 WeakPolarHBondContact CA-O 3.39Å; F135-F144 HydrophobicContact CB-CD2 4.23Å; F135-F144 HydrophobicContact CB-CE1 4.19Å; F135-F144 HydrophobicContact CB-CE2 3.71Å; F135-F144 HydrophobicContact CB-CZ 3.7Å; F135-F144 AromaticContact CD1-CE1 3.58Å; F135-F144 HydrophobicContact CD1-CE1 3.58Å; F135-F144 HydrophobicContact CD1-CE2 4.18Å; F135-F144 AromaticContact CD1-CZ 3.29Å; F135-F144 HydrophobicContact CD1-CZ 3.29Å; F135-F144 HydrophobicContact CE1-CE1 4.45Å; F135-F144 HydrophobicContact CE1-CZ 4.16Å; F135-F144 HydrophobicContact CG-CE1 4.28Å; F135-F144 HydrophobicContact CG-CE2 4.14Å; F135-F144 AromaticContact CG-CZ 3.71Å; F135-F144 HydrophobicContact CG-CZ 3.71Å; F135-F144 PolarHBondContact N-O 3.23Å; F135-F144 PolarHBondContact O-N 2.95Å; F144-A146 HydrophobicContact CE2-CB 4.35Å; F144-Y158 HydrophobicContact CB-CE2 4.3Å; F144-Y158 AromaticContact CD2-CD2 3.73Å; F144-Y158 HydrophobicContact CD2-CD2 3.73Å; F144-Y158 HydrophobicContact CD2-CE2 4.31Å; F144-Y158 HydrophobicContact CE2-CD2 4.33Å; F144-Y158 HydrophobicContact CG-CD2 4.38Å; F144-Y203 HydrophobicContact CB-CE1 3.64Å; F144-Y203 AromaticContact CD1-CE1 3.82Å; F144-Y203 HydrophobicContact CD1-CE1 3.82Å; F144-Y203 AromaticContact CG-CE1 3.78Å; F144-Y203 HydrophobicContact CG-CE1 3.78Å; F144-I219 HydrophobicContact CE2-CD1 3.74Å; F144-I219 HydrophobicContact CE2-CG1 4.12Å; F144-I219 HydrophobicContact CZ-CD1 4.03Å; F144-I219 HydrophobicContact CZ-CG1 3.92Å
145	L	98.5	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.5	-178.1	-69	-59.3	0	0	0	109.8	V122 I132 G133 Y134 C159 G160 N162 L163 C166	V122-L145 HydrophobicContact CG2-CD1 4.36Å; I132-L145 HydrophobicContact CG2-CB 4.33Å; I132-L145 HydrophobicContact CG2-CD1 4.08Å; I132-L145 HydrophobicContact CG2-CG 4.5Å; G133-L145 WeakPolarHBondContact O-CA 3.4Å; Y134-L145 HydrophobicContact CD1-CD1 3.55Å; Y134-L145 HydrophobicContact CD1-CD2 3.9Å; Y134-L145 HydrophobicContact CD1-CG 4.39Å; Y134-L145 HydrophobicContact CE1-CD1 3.67Å; Y134-L145 HydrophobicContact CE1-CD2 3.61Å; Y134-L145 HydrophobicContact CE1-CG 4.31Å; Y134-L145 HydrophobicContact CG-CD1 4.23Å; L145-C159 VanDerWaalsContact C-SG 3.51Å; L145-C159 PolarHBondContact O-N 2.8Å; L145-C159 PolarHBondContact O-SG 3.49Å; L145-G160 PolarHBondContact N-O 2.91Å; L145-G160 PolarHBondContact O-N 2.97Å; L145-N162 VanDerWaalsContact CD2-CA 3.5Å; L145-L163 HydrophobicContact CD1-CD2 3.72Å; L145-L163 HydrophobicContact CD1-CG 4.32Å; L145-L163 HydrophobicContact CG-CD2 4.16Å; L145-C166 HydrophobicContact CB-CB 4.19Å; L145-C166 HydrophobicContact CG-CB 4.18Å
146	A	98.5	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154.6	166.9	0	0	0	0	0	110	F119 I132 G133 F135 F144 L156 E157 C159 I219	F119-A146 HydrophobicContact CD2-CB 4.43Å; F119-A146 HydrophobicContact CE2-CB 3.96Å; F119-A146 WeakPolarHBondContact CE2-O 3.37Å; I132-A146 WeakPolarHBondContact CA-O 3.04Å; G133-A146 PolarHBondContact N-O 3.28Å; G133-A146 PolarHBondContact O-N 3.47Å; F135-A146 HydrophobicContact CB-CB 4.37Å; F144-A146 HydrophobicContact CE2-CB 4.35Å; A146-L156 HydrophobicContact CB-CB 4.47Å; A146-E157 CarbonylContact C-O 3Å; A146-E157 WeakPolarHBondContact CA-O 3.16Å; A146-C159 VanDerWaalsContact C-SG 3.56Å; A146-I219 HydrophobicContact CB-CD1 4.2Å
147	K	97.9	Very high	95	Very high	54 Å²	54	41.7 Å²	41.7	24%	0.235	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148	171.3	64.1	173.6	176.8	131.1	0	110.8	Y130 H131 I132 E157 C159	Y130-K147 HydrophobicContact CD2-CB 4.35Å; H131-K147 CarbonylContact O-C 3.56Å; H131-K147 WeakPolarHBondContact O-CA 3.49Å; I132-K147 HydrophobicContact CG1-CB 3.93Å; K147-E157 WeakPolarHBondContact CE-OE2 3.43Å; K147-E157 HydrophobicContact CG-CB 3.88Å; K147-E157 PolarHBondContact N-O 3.33Å; K147-E157 IonicContact NZ-OE2 2.82Å; K147-E157 PolarHBondContact NZ-OE2 2.96Å; K147-E157 PolarHBondContact O-N 3.29Å; K147-C159 HydrophobicContact CG-CB 4.35Å
148	S	98.2	Very high	95.1	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.7	-179.6	-177.3	0	0	0	0	109.3	Y130 H131 P150	Y130-S148 CarbonylContact C-O 3.49Å; Y130-S148 WeakPolarHBondContact CA-O 3.33Å; Y130-S148 WeakPolarHBondContact CB-O 3.48Å; H131-S148 WeakPolarHBondContact CE1-CB 3.23Å; H131-S148 PolarHBondContact CE1-OG 2.95Å; H131-S148 PolarHBondContact N-O 2.99Å; H131-S148 PolarHBondContact ND1-O 3.5Å; H131-S148 PolarHBondContact O-N 3.42Å; S148-P150 WeakPolarHBondContact O-CD 3.47Å
149	T	96.8	Very high	95.3	Very high	33 Å²	33	42.2 Å²	42.2	20%	0.202	21%	0.205	C	C	.	.			trans	-120.8	77.6	174.8	-40.7	0	0	0	0	108.5	Q129 Y130 M151 F152 N153	Q129-T149 WeakPolarHBondContact O-CG2 3.46Å; Y130-T149 WeakPolarHBondContact CB-OG1 2.96Å; T149-M151 PolarHBondContact O-N 2.94Å; T149-F152 HydrophobicContact CG2-CD2 3.26Å; T149-F152 HydrophobicContact CG2-CE2 3.54Å; T149-F152 HydrophobicContact CG2-CG 4.46Å; T149-F152 PolarHBondContact O-N 3.43Å; T149-N153 PolarHBondContact O-N 2.98Å
150	P	94	Very high	95.7	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.058	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.7	-159.7	24.4	-35.2	0	0	0	114.1	F112 H114 S148 F152	F112-P150 HydrophobicContact CB-CB 4.29Å; F112-P150 HydrophobicContact CB-CG 4.11Å; F112-P150 HydrophobicContact CD1-CG 3.88Å; F112-P150 HydrophobicContact CG-CG 4.22Å; H114-P150 PolarHBondContact CD2-O 3.35Å; S148-P150 WeakPolarHBondContact O-CD 3.47Å; P150-F152 VanDerWaalsContact C-N 3.27Å; P150-F152 PolarHBondContact O-N 2.96Å
151	M	92	Very high	96.2	Very high	94 Å²	94	36.5 Å²	36.5	46%	0.463	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.3	177.2	-67	-54.5	-63.9	0	0	114.2	T149 H295 I340	T149-M151 PolarHBondContact O-N 2.94Å; M151-H295 PolarHBondContact O-CE1 3.11Å; M151-I340 HydrophobicContact SD-CG2 4.38Å
152	F	92.5	Very high	96.5	Very high	148 Å²	148	36.1 Å²	36.1	65%	0.649	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-35	179.8	-61.8	-87.9	0	0	0	113.1	T149 P150	T149-F152 HydrophobicContact CG2-CD2 3.26Å; T149-F152 HydrophobicContact CG2-CE2 3.54Å; T149-F152 HydrophobicContact CG2-CG 4.46Å; T149-F152 PolarHBondContact O-N 3.43Å; P150-F152 VanDerWaalsContact C-N 3.27Å; P150-F152 PolarHBondContact O-N 2.96Å
153	N	95.4	Very high	96.9	Very high	60 Å²	60	30.2 Å²	30.2	32%	0.321	15%	0.148	S	C	.	.			trans	-169.1	173.9	-178	55.1	56.8	0	0	0	110.8	H114 T149 V155	H114-N153 PolarHBondContact CD2-O 2.89Å; T149-N153 PolarHBondContact O-N 2.98Å; N153-V155 VanDerWaalsContact C-N 3.35Å; N153-V155 HydrophobicContact CB-CG2 4.07Å; N153-V155 WeakPolarHBondContact OD1-CB 3.26Å; N153-V155 WeakPolarHBondContact OD1-CG2 3.32Å; N153-V155 PolarHBondContact OD1-N 2.99Å
154	G	96.9	Very high	97	Very high	4 Å²	4	30.1 Å²	30.1	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	-92.6	25.7	171.4	0	0	0	0	0	114.6	N217	G154-N217 WeakPolarHBondContact O-CA 3.32Å; G154-N217 WeakPolarHBondContact O-CB 3.24Å
155	V	98.3	Very high	97	Very high	28 Å²	28	30 Å²	30	17%	0.17	15%	0.146	C	C	.	.			trans	-80	139.8	-177.2	-178.6	0	0	0	0	111.2	N153 E157 H218	N153-V155 VanDerWaalsContact C-N 3.35Å; N153-V155 HydrophobicContact CB-CG2 4.07Å; N153-V155 WeakPolarHBondContact OD1-CB 3.26Å; N153-V155 WeakPolarHBondContact OD1-CG2 3.32Å; N153-V155 PolarHBondContact OD1-N 2.99Å; V155-E157 HydrophobicContact CG1-CG 4.08Å; V155-H218 HydrophobicContact CG1-CB 4.16Å
156	L	98.6	Very high	97	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113	172.6	-71.7	172.6	0	0	0	109.7	P116 F119 F135 A146 N217 I219	P116-L156 HydrophobicContact CG-CD1 3.77Å; F119-L156 HydrophobicContact CD2-CD2 4.03Å; F119-L156 HydrophobicContact CE2-CD2 4.03Å; F119-L156 HydrophobicContact CG-CD2 4.38Å; F119-L156 HydrophobicContact CZ-CD2 4.39Å; F135-L156 HydrophobicContact CD2-CD1 3.99Å; F135-L156 HydrophobicContact CE2-CD1 3.9Å; A146-L156 HydrophobicContact CB-CB 4.47Å; L156-N217 PolarHBondContact N-O 3.05Å; L156-I219 HydrophobicContact CB-CB 3.89Å; L156-I219 HydrophobicContact CB-CD1 4.22Å; L156-I219 HydrophobicContact CB-CG1 4.31Å; L156-I219 HydrophobicContact CB-CG2 4.45Å; L156-I219 HydrophobicContact CD1-CB 4.42Å; L156-I219 HydrophobicContact CD1-CG2 4.1Å; L156-I219 WeakPolarHBondContact O-CD1 3.39Å
157	E	97.3	Very high	96.9	Very high	92 Å²	92	30.6 Å²	30.6	43%	0.43	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.8	-177.7	-65.7	-179.3	-165.8	0	0	111.1	A146 K147 V155 C159	A146-E157 CarbonylContact C-O 3Å; A146-E157 WeakPolarHBondContact CA-O 3.16Å; K147-E157 WeakPolarHBondContact CE-OE2 3.43Å; K147-E157 HydrophobicContact CG-CB 3.88Å; K147-E157 PolarHBondContact N-O 3.33Å; K147-E157 IonicContact NZ-OE2 2.82Å; K147-E157 PolarHBondContact NZ-OE2 2.96Å; K147-E157 PolarHBondContact O-N 3.29Å; V155-E157 HydrophobicContact CG1-CG 4.08Å; E157-C159 PolarHBondContact O-N 2.94Å
158	Y	97.6	Very high	96.8	Very high	53 Å²	53	29.8 Å²	29.8	21%	0.208	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	129.1	171	169.8	-98.4	0	0	0	111.2	F144 G160 Q161 L199 Y203 M204	F144-Y158 HydrophobicContact CB-CE2 4.3Å; F144-Y158 AromaticContact CD2-CD2 3.73Å; F144-Y158 HydrophobicContact CD2-CD2 3.73Å; F144-Y158 HydrophobicContact CD2-CE2 4.31Å; F144-Y158 HydrophobicContact CE2-CD2 4.33Å; F144-Y158 HydrophobicContact CG-CD2 4.38Å; Y158-G160 VanDerWaalsContact CE2-C 3.41Å; Y158-G160 WeakPolarHBondContact CE2-O 3.23Å; Y158-Q161 PolarHBondContact OH-N 2.96Å; Y158-Q161 VanDerWaalsContact OH-N 3.11Å; Y158-Q161 PolarHBondContact OH-OE1 2.91Å; Y158-L199 HydrophobicContact CE1-CD2 4.49Å; Y158-Y203 HydrophobicContact CD2-CD1 4.35Å; Y158-Y203 AromaticContact CE2-CD1 3.66Å; Y158-Y203 HydrophobicContact CE2-CD1 3.66Å; Y158-Y203 HydrophobicContact CE2-CE1 4.13Å; Y158-Y203 HydrophobicContact CE2-CG 4.31Å; Y158-M204 HydrophobicContact CD1-CG 3.65Å; Y158-M204 HydrophobicContact CD2-CG 3.67Å; Y158-M204 HydrophobicContact CD2-SD 3.62Å; Y158-M204 HydrophobicContact CE1-CG 4.13Å; Y158-M204 HydrophobicContact CE2-CG 4.15Å; Y158-M204 HydrophobicContact CE2-SD 4.31Å; Y158-M204 HydrophobicContact CG-CG 3.38Å; Y158-M204 HydrophobicContact CG-SD 3.8Å
159	C	96.8	Very high	96.6	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.068	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	-2.6	179.7	63.1	0	0	0	0	114.6	L145 A146 K147 E157 C166 L199	L145-C159 VanDerWaalsContact C-SG 3.51Å; L145-C159 PolarHBondContact O-N 2.8Å; L145-C159 PolarHBondContact O-SG 3.49Å; A146-C159 VanDerWaalsContact C-SG 3.56Å; K147-C159 HydrophobicContact CG-CB 4.35Å; E157-C159 PolarHBondContact O-N 2.94Å; C159-C166 VanDerWaalsContact O-CA 3.28Å; C159-C166 WeakPolarHBondContact O-CA 3.46Å; C159-C166 PolarHBondContact SG-SG 3.35Å; C159-L199 WeakPolarHBondContact O-CD2 3.28Å
160	G	97.8	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	152.7	170.5	0	0	0	0	0	114.4	L145 Y158 N162	L145-G160 PolarHBondContact N-O 2.91Å; L145-G160 PolarHBondContact O-N 2.97Å; Y158-G160 VanDerWaalsContact CE2-C 3.41Å; Y158-G160 WeakPolarHBondContact CE2-O 3.23Å; G160-N162 VanDerWaalsContact C-N 3.27Å
161	Q	96.8	Very high	96.3	Very high	26 Å²	26	29.4 Å²	29.4	12%	0.121	14%	0.143	C	C	.	.	S	Bend	trans	-79.9	-10.8	172.9	73	-82.3	15.6	0	0	113.4	Y158 D198 Y203	Y158-Q161 PolarHBondContact OH-N 2.96Å; Y158-Q161 VanDerWaalsContact OH-N 3.11Å; Y158-Q161 PolarHBondContact OH-OE1 2.91Å; Q161-D198 PolarHBondContact NE2-O 3.37Å; Q161-Y203 HydrophobicContact CB-CD2 3.66Å; Q161-Y203 HydrophobicContact CB-CE2 3.8Å; Q161-Y203 HydrophobicContact CB-CG 4.2Å
162	N	98	Very high	96.2	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.064	14%	0.143	C	C	.	.	S	Bend	trans	-156.5	169	172.9	65.5	61.8	0	0	0	108.9	D59 L145 G160 F164 A165 C166 P196	D59-N162 HydrophobicContact CB-CB 3.98Å; L145-N162 VanDerWaalsContact CD2-CA 3.5Å; G160-N162 VanDerWaalsContact C-N 3.27Å; N162-F164 VanDerWaalsContact C-N 3.34Å; N162-F164 PolarHBondContact O-N 2.86Å; N162-F164 WeakPolarHBondContact OD1-CA 3.49Å; N162-F164 WeakPolarHBondContact OD1-CB 3.41Å; N162-F164 PolarHBondContact OD1-N 3.05Å; N162-A165 PolarHBondContact O-N 2.95Å; N162-A165 PolarHBondContact OD1-N 2.84Å; N162-C166 WeakPolarHBondContact O-CB 3.42Å; N162-C166 PolarHBondContact O-N 3.26Å; N162-C166 VanDerWaalsContact O-N 3.07Å; N162-P196 PolarHBondContact ND2-O 2.89Å; N162-P196 PolarHBondContact OD1-O 2.86Å
163	L	98.6	Very high	95.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-36.1	-177.1	-75.6	168.1	0	0	0	113.6	D59 F60 F63 F90 V122 I123 Y134 L145 C166 L167	D59-L163 WeakPolarHBondContact OD2-CB 3.49Å; D59-L163 WeakPolarHBondContact OD2-CG 3.32Å; D59-L163 PolarHBondContact OD2-N 3.1Å; F60-L163 HydrophobicContact CD2-CD1 4.47Å; F63-L163 HydrophobicContact CB-CB 4.17Å; F63-L163 HydrophobicContact CB-CD1 3.67Å; F63-L163 HydrophobicContact CD1-CB 4.36Å; F63-L163 HydrophobicContact CD1-CD1 3.93Å; F63-L163 HydrophobicContact CD2-CB 3.53Å; F63-L163 HydrophobicContact CD2-CD1 4.39Å; F63-L163 HydrophobicContact CE2-CB 3.91Å; F63-L163 HydrophobicContact CG-CB 3.77Å; F63-L163 HydrophobicContact CG-CD1 3.75Å; F63-L163 HydrophobicContact CG-CG 4.36Å; F63-L163 HydrophobicContact CZ-CB 4.46Å; F90-L163 HydrophobicContact CE2-CD1 4.14Å; F90-L163 HydrophobicContact CZ-CD1 3.66Å; V122-L163 HydrophobicContact CG2-CD2 3.94Å; I123-L163 HydrophobicContact CD1-CD2 3.96Å; Y134-L163 HydrophobicContact CE1-CG 4.38Å; Y134-L163 WeakPolarHBondContact OH-CD1 3.22Å; Y134-L163 WeakPolarHBondContact OH-CG 3.13Å; L145-L163 HydrophobicContact CD1-CD2 3.72Å; L145-L163 HydrophobicContact CD1-CG 4.32Å; L145-L163 HydrophobicContact CG-CD2 4.16Å; L163-C166 WeakPolarHBondContact O-CB 3.44Å; L163-C166 PolarHBondContact O-N 3.35Å; L163-L167 PolarHBondContact O-N 2.66Å
164	F	98.6	Very high	94.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-43.1	-179.6	-64.5	-98.2	0	0	0	111.6	D59 L62 F63 F66 N162 C166 L167 R168 L186 F189 A190 I195 T197	D59-F164 HydrophobicContact CB-CD2 4.24Å; D59-F164 HydrophobicContact CB-CE2 4.22Å; L62-F164 HydrophobicContact CB-CE2 4.33Å; L62-F164 HydrophobicContact CB-CZ 4.29Å; F63-F164 HydrophobicContact CB-CE2 3.9Å; F63-F164 HydrophobicContact CB-CZ 4.08Å; F63-F164 HydrophobicContact CD2-CD1 4.27Å; F63-F164 HydrophobicContact CD2-CD2 4.07Å; F63-F164 HydrophobicContact CD2-CE1 4.16Å; F63-F164 AromaticContact CD2-CE2 3.96Å; F63-F164 HydrophobicContact CD2-CE2 3.96Å; F63-F164 HydrophobicContact CD2-CG 4.22Å; F63-F164 HydrophobicContact CD2-CZ 4.02Å; F63-F164 HydrophobicContact CG-CE2 4.46Å; F66-F164 HydrophobicContact CB-CE1 4.12Å; F66-F164 HydrophobicContact CB-CZ 4.36Å; F66-F164 HydrophobicContact CG-CE1 4.28Å; N162-F164 VanDerWaalsContact C-N 3.34Å; N162-F164 PolarHBondContact O-N 2.86Å; N162-F164 WeakPolarHBondContact OD1-CA 3.49Å; N162-F164 WeakPolarHBondContact OD1-CB 3.41Å; N162-F164 PolarHBondContact OD1-N 3.05Å; F164-C166 VanDerWaalsContact C-N 3.3Å; F164-C166 PolarHBondContact O-N 2.83Å; F164-L167 PolarHBondContact O-N 2.67Å; F164-R168 WeakPolarHBondContact O-CB 3.28Å; F164-R168 PolarHBondContact O-N 3.04Å; F164-L186 HydrophobicContact CB-CD1 4.48Å; F164-L186 HydrophobicContact CD1-CD1 3.45Å; F164-L186 VanDerWaalsContact CD1-CD1 3.45Å; F164-L186 HydrophobicContact CD1-CG 4.2Å; F164-L186 HydrophobicContact CE1-CD1 4.05Å; F164-L186 HydrophobicContact CG-CD1 4.32Å; F164-F189 AromaticContact CE1-CD1 3.77Å; F164-F189 HydrophobicContact CE1-CD1 3.77Å; F164-F189 HydrophobicContact CE1-CE1 4.24Å; F164-F189 HydrophobicContact CZ-CD1 4.06Å; F164-F189 HydrophobicContact CZ-CE1 4.06Å; F164-A190 HydrophobicContact CD1-CB 3.79Å; F164-A190 HydrophobicContact CE1-CB 4.3Å; F164-A190 HydrophobicContact CG-CB 4.28Å; F164-I195 HydrophobicContact CB-CG2 4.25Å; F164-I195 HydrophobicContact CD2-CB 4.46Å; F164-I195 HydrophobicContact CD2-CD1 3.87Å; F164-I195 HydrophobicContact CD2-CG2 3.69Å; F164-I195 HydrophobicContact CE2-CD1 3.4Å; F164-I195 HydrophobicContact CE2-CG2 4.33Å; F164-I195 HydrophobicContact CG-CG2 4.1Å; F164-I195 HydrophobicContact CZ-CD1 3.83Å; F164-T197 HydrophobicContact CB-CG2 4.03Å
165	A	98.3	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.9	-35.8	174.9	0	0	0	0	0	112.2	N162 S169 T197 L199	N162-A165 PolarHBondContact O-N 2.95Å; N162-A165 PolarHBondContact OD1-N 2.84Å; A165-S169 VanDerWaalsContact O-CB 3.28Å; A165-S169 WeakPolarHBondContact O-CB 3.42Å; A165-S169 PolarHBondContact O-N 3.3Å; A165-T197 VanDerWaalsContact CA-O 3.24Å; A165-T197 WeakPolarHBondContact CA-O 3.31Å; A165-L199 HydrophobicContact CB-CD2 4.14Å
166	C	97.9	Very high	91.9	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.02	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-52.1	173.3	-178	0	0	0	0	112.3	L145 C159 N162 L163 F164 S169 T170	L145-C166 HydrophobicContact CB-CB 4.19Å; L145-C166 HydrophobicContact CG-CB 4.18Å; C159-C166 VanDerWaalsContact O-CA 3.28Å; C159-C166 WeakPolarHBondContact O-CA 3.46Å; C159-C166 PolarHBondContact SG-SG 3.35Å; N162-C166 WeakPolarHBondContact O-CB 3.42Å; N162-C166 PolarHBondContact O-N 3.26Å; N162-C166 VanDerWaalsContact O-N 3.07Å; L163-C166 WeakPolarHBondContact O-CB 3.44Å; L163-C166 PolarHBondContact O-N 3.35Å; F164-C166 VanDerWaalsContact C-N 3.3Å; F164-C166 PolarHBondContact O-N 2.83Å; C166-S169 PolarHBondContact O-N 2.71Å; C166-T170 WeakPolarHBondContact O-CB 3.25Å; C166-T170 PolarHBondContact O-N 3.37Å; C166-T170 PolarHBondContact O-OG1 3.36Å
167	L	96.9	Very high	90.6	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-44	-179.9	-177.5	59.2	0	0	0	111.2	F63 F66 L79 F84 L163 F164 S169 T170 L171 L186	F63-L167 HydrophobicContact CE2-CB 4.24Å; F63-L167 HydrophobicContact CE2-CD2 3.96Å; F63-L167 HydrophobicContact CZ-CB 4.39Å; F63-L167 HydrophobicContact CZ-CD2 3.84Å; F66-L167 HydrophobicContact CE1-CD2 4.35Å; L79-L167 HydrophobicContact CD1-CD1 4.46Å; L79-L167 HydrophobicContact CD1-CD2 4.04Å; L79-L167 HydrophobicContact CD2-CD2 4.11Å; F84-L167 HydrophobicContact CD2-CD1 4.33Å; L163-L167 PolarHBondContact O-N 2.66Å; F164-L167 PolarHBondContact O-N 2.67Å; L167-S169 PolarHBondContact O-N 2.92Å; L167-T170 PolarHBondContact O-N 2.91Å; L167-T170 VanDerWaalsContact O-N 3.17Å; L167-L171 HydrophobicContact CD1-CD1 4.06Å; L167-L171 HydrophobicContact CD1-CD2 4.33Å; L167-L171 HydrophobicContact CD1-CG 3.93Å; L167-L171 HydrophobicContact CG-CD1 3.89Å; L167-L171 HydrophobicContact CG-CG 4.21Å; L167-L171 WeakPolarHBondContact O-CG 3.12Å; L167-L171 PolarHBondContact O-N 3.31Å; L167-L186 HydrophobicContact CB-CD2 4.03Å; L167-L186 HydrophobicContact CD2-CD1 3.89Å; L167-L186 HydrophobicContact CD2-CD2 4.08Å; L167-L186 HydrophobicContact CG-CD2 3.99Å
168	R	96	Very high	89.4	Confident	37 Å²	37	45.4 Å²	45.4	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-50.7	176.6	172.1	155.9	177.9	-145.6	-10.3	112.1	F164 T170 L171 Q172 L183 L186 T197 D198	F164-R168 WeakPolarHBondContact O-CB 3.28Å; F164-R168 PolarHBondContact O-N 3.04Å; R168-T170 VanDerWaalsContact C-N 3.27Å; R168-T170 PolarHBondContact O-N 3.01Å; R168-L171 PolarHBondContact O-N 2.77Å; R168-Q172 WeakPolarHBondContact O-CB 3.35Å; R168-Q172 WeakPolarHBondContact O-CG 3.17Å; R168-Q172 PolarHBondContact O-N 2.95Å; R168-L183 HydrophobicContact CB-CD1 4.09Å; R168-L183 HydrophobicContact CG-CD1 3.68Å; R168-L186 HydrophobicContact CB-CD2 3.95Å; R168-T197 WeakPolarHBondContact CD-O 3.49Å; R168-T197 PolarHBondContact NH1-OG1 3.35Å; R168-D198 IonicContact CZ-OD1 3.65Å; R168-D198 IonicContact CZ-OD2 2.87Å; R168-D198 IonicContact NE-OD1 3.62Å; R168-D198 IonicContact NH1-OD1 2.68Å; R168-D198 PolarHBondContact NH1-OD1 3.4Å; R168-D198 IonicContact NH1-OD2 3.37Å; R168-D198 PolarHBondContact NH1-OD2 2.99Å; R168-D198 IonicContact NH2-OD1 3.01Å; R168-D198 PolarHBondContact NH2-OD1 2.95Å; R168-D198 IonicContact NH2-OD2 3.65Å
169	S	94.5	Very high	88.7	Confident	12 Å²	12	44.1 Å²	44.1	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-40.2	177.2	168.5	0	0	0	0	112.1	A165 C166 L167 K173 L199	A165-S169 VanDerWaalsContact O-CB 3.28Å; A165-S169 WeakPolarHBondContact O-CB 3.42Å; A165-S169 PolarHBondContact O-N 3.3Å; C166-S169 PolarHBondContact O-N 2.71Å; L167-S169 PolarHBondContact O-N 2.92Å; S169-K173 WeakPolarHBondContact O-CG 3.35Å; S169-K173 PolarHBondContact O-N 3.16Å; S169-L199 WeakPolarHBondContact OG-CD1 3.24Å
170	T	92.3	Very high	88.2	Confident	17 Å²	17	47.1 Å²	47.1	10%	0.104	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-46.9	179.8	-56.2	0	0	0	0	111.5	F84 C166 L167 R168 Q172 K173 N174	F84-T170 HydrophobicContact CE2-CG2 3.72Å; F84-T170 HydrophobicContact CZ-CG2 3.47Å; F84-T170 VanDerWaalsContact CZ-CG2 3.47Å; C166-T170 WeakPolarHBondContact O-CB 3.25Å; C166-T170 PolarHBondContact O-N 3.37Å; C166-T170 PolarHBondContact O-OG1 3.36Å; L167-T170 PolarHBondContact O-N 2.91Å; L167-T170 VanDerWaalsContact O-N 3.17Å; R168-T170 VanDerWaalsContact C-N 3.27Å; R168-T170 PolarHBondContact O-N 3.01Å; T170-Q172 VanDerWaalsContact C-N 3.33Å; T170-Q172 PolarHBondContact O-N 3.15Å; T170-K173 PolarHBondContact O-N 3.42Å; T170-N174 PolarHBondContact O-N 3.42Å
171	L	91.7	Very high	87.8	Confident	7 Å²	7	51.5 Å²	51.5	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-33.1	177.4	-67.1	176	0	0	0	112.9	V82 L167 R168 K173 N174 H179 L182 L183	V82-L171 HydrophobicContact CB-CD2 3.97Å; V82-L171 HydrophobicContact CG1-CD2 3.93Å; V82-L171 HydrophobicContact CG2-CD2 4.22Å; L167-L171 HydrophobicContact CD1-CD1 4.06Å; L167-L171 HydrophobicContact CD1-CD2 4.33Å; L167-L171 HydrophobicContact CD1-CG 3.93Å; L167-L171 HydrophobicContact CG-CD1 3.89Å; L167-L171 HydrophobicContact CG-CG 4.21Å; L167-L171 WeakPolarHBondContact O-CG 3.12Å; L167-L171 PolarHBondContact O-N 3.31Å; R168-L171 PolarHBondContact O-N 2.77Å; L171-K173 VanDerWaalsContact C-N 3.33Å; L171-K173 PolarHBondContact O-N 3.14Å; L171-N174 CarbonylContact O-C 3.59Å; L171-N174 PolarHBondContact O-N 3.29Å; L171-H179 HydrophobicContact CB-CB 4.47Å; L171-H179 HydrophobicContact CD2-CB 4.18Å; L171-L182 HydrophobicContact CD1-CB 4.41Å; L171-L182 HydrophobicContact CD1-CD2 3.76Å; L171-L182 HydrophobicContact CD1-CG 3.86Å; L171-L182 HydrophobicContact CD2-CD2 4.05Å; L171-L183 HydrophobicContact CD1-CB 4.41Å
172	Q	89.3	Confident	87.7	Confident	98 Å²	98	51.2 Å²	51.2	46%	0.458	27%	0.269	S	S	.	.	H	α-helix	trans	-70.7	-27.7	178.1	-76.3	178.7	-35.7	0	0	113.4	R168 T170 L183	R168-Q172 WeakPolarHBondContact O-CB 3.35Å; R168-Q172 WeakPolarHBondContact O-CG 3.17Å; R168-Q172 PolarHBondContact O-N 2.95Å; T170-Q172 VanDerWaalsContact C-N 3.33Å; T170-Q172 PolarHBondContact O-N 3.15Å; Q172-L183 HydrophobicContact CG-CD2 4.17Å
173	K	85	Confident	87.6	Confident	147 Å²	147	52.3 Å²	52.3	64%	0.639	27%	0.274	S	S	*	.	H	α-helix	trans	-74.6	-32.1	177.1	-71.1	173.3	-174.2	-180	0	112.1	S169 T170 L171	S169-K173 WeakPolarHBondContact O-CG 3.35Å; S169-K173 PolarHBondContact O-N 3.16Å; T170-K173 PolarHBondContact O-N 3.42Å; L171-K173 VanDerWaalsContact C-N 3.33Å; L171-K173 PolarHBondContact O-N 3.14Å
174	N	76.4	Confident	87.4	Confident	71 Å²	71	58.1 Å²	58.1	38%	0.38	30%	0.296	S	S	.	.	S	Bend	trans	-101.8	106.1	179.8	-63.1	-28	0	0	0	109.1	T170 L171 C176 H179	T170-N174 PolarHBondContact O-N 3.42Å; L171-N174 CarbonylContact O-C 3.59Å; L171-N174 PolarHBondContact O-N 3.29Å; N174-C176 PolarHBondContact O-N 2.99Å; N174-H179 PolarHBondContact O-CE1 3.46Å; N174-H179 PolarHBondContact O-ND1 3.05Å
175	K	67	Low	87.3	Confident	205 Å²	205	59.9 Å²	59.9	89%	0.891	31%	0.308	S	S	*	.			trans	-87	104.4	-176.3	-63.4	-176	-177.7	179.9	0	111.1
176	C	65.8	Low	87.3	Confident	64 Å²	64	59.9 Å²	59.9	43%	0.432	31%	0.308	S	S	.	.			trans	-140.7	153.8	171.7	-177.7	0	0	0	0	110.7	N174 Q178 H179 S180	N174-C176 PolarHBondContact O-N 2.99Å; C176-Q178 PolarHBondContact O-N 2.83Å; C176-H179 VanDerWaalsContact O-CB 3.24Å; C176-H179 WeakPolarHBondContact O-CB 3.47Å; C176-H179 PolarHBondContact O-N 3.16Å; C176-S180 PolarHBondContact O-N 3.49Å
177	A	69.3	Low	87.2	Confident	74 Å²	74	62.6 Å²	62.6	61%	0.612	32%	0.322	S	S	*	.	H	α-helix	trans	-61.7	-40.2	-179.6	0	0	0	0	0	113	H179 S180	A177-H179 PolarHBondContact O-N 3.23Å; A177-H179 VanDerWaalsContact O-N 3.13Å; A177-S180 PolarHBondContact O-N 3.46Å; A177-S180 PolarHBondContact O-OG 2.95Å
178	Q	72.1	Confident	87.3	Confident	109 Å²	109	67 Å²	67	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-57.6	-29.6	173.8	-67.1	174.2	3.4	0	0	111.6	D81 C176 L182	D81-Q178 PolarHBondContact O-OE1 3.48Å; C176-Q178 PolarHBondContact O-N 2.83Å; Q178-L182 PolarHBondContact O-N 3.37Å
179	H	83.6	Confident	87.4	Confident	26 Å²	26	66.5 Å²	66.5	12%	0.12	34%	0.341	C	S	.	.	H	α-helix	trans	-74.9	-27.9	-179.6	-56.2	-172.4	0	0	0	111.6	V82 L171 N174 C176 A177 L183	V82-H179 VanDerWaalsContact CG1-CD2 3.43Å; V82-H179 WeakPolarHBondContact CG1-CD2 3.33Å; L171-H179 HydrophobicContact CB-CB 4.47Å; L171-H179 HydrophobicContact CD2-CB 4.18Å; N174-H179 PolarHBondContact O-CE1 3.46Å; N174-H179 PolarHBondContact O-ND1 3.05Å; C176-H179 VanDerWaalsContact O-CB 3.24Å; C176-H179 WeakPolarHBondContact O-CB 3.47Å; C176-H179 PolarHBondContact O-N 3.16Å; A177-H179 PolarHBondContact O-N 3.23Å; A177-H179 VanDerWaalsContact O-N 3.13Å; H179-L183 WeakPolarHBondContact O-CB 3.3Å; H179-L183 PolarHBondContact O-N 3.02Å
180	S	85.8	Confident	87.5	Confident	72 Å²	72	66 Å²	66	50%	0.503	34%	0.337	S	S	.	.	H	α-helix	trans	-69.7	-41.8	179.6	45.3	0	0	0	0	113.2	C176 A177 R184	C176-S180 PolarHBondContact O-N 3.49Å; A177-S180 PolarHBondContact O-N 3.46Å; A177-S180 PolarHBondContact O-OG 2.95Å; S180-R184 WeakPolarHBondContact O-CB 3.47Å; S180-R184 PolarHBondContact O-N 3.04Å
181	D	90.7	Very high	87.7	Confident	92 Å²	92	69.2 Å²	69.2	49%	0.492	36%	0.361	S	S	.	.	H	α-helix	trans	-71.1	-43.8	177.6	-79.4	-42.8	0	0	0	111.7	L183 R184 S185	D181-L183 VanDerWaalsContact C-N 3.32Å; D181-L183 PolarHBondContact O-N 3.05Å; D181-R184 PolarHBondContact O-N 3.24Å; D181-R184 IonicContact OD1-CZ 3.74Å; D181-R184 IonicContact OD1-NE 3.73Å; D181-R184 IonicContact OD1-NH2 3.13Å; D181-R184 PolarHBondContact OD1-NH2 2.74Å; D181-S185 PolarHBondContact O-N 2.89Å; D181-S185 PolarHBondContact O-OG 3.5Å
182	L	94.8	Very high	87.9	Confident	21 Å²	21	75.6 Å²	75.6	11%	0.11	39%	0.394	C	S	.	.	H	α-helix	trans	-60	-43.4	174.8	178.7	61.5	0	0	0	111.6	F66 L70 L79 V82 L171 Q178 R184 S185 L186	F66-L182 HydrophobicContact CE1-CD1 4.31Å; F66-L182 HydrophobicContact CZ-CD1 3.94Å; L70-L182 HydrophobicContact CD1-CD1 3.45Å; L70-L182 VanDerWaalsContact CD1-CD1 3.45Å; L70-L182 HydrophobicContact CD2-CD1 4.11Å; L70-L182 HydrophobicContact CG-CD1 4.44Å; L79-L182 HydrophobicContact CD2-CD1 4.1Å; L79-L182 HydrophobicContact CD2-CD2 4.02Å; V82-L182 HydrophobicContact CB-CD2 4.25Å; V82-L182 HydrophobicContact CG1-CD2 3.66Å; V82-L182 HydrophobicContact CG2-CD2 3.62Å; L171-L182 HydrophobicContact CD1-CB 4.41Å; L171-L182 HydrophobicContact CD1-CD2 3.76Å; L171-L182 HydrophobicContact CD1-CG 3.86Å; L171-L182 HydrophobicContact CD2-CD2 4.05Å; Q178-L182 PolarHBondContact O-N 3.37Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 2.89Å; L182-S185 PolarHBondContact O-N 2.69Å; L182-L186 VanDerWaalsContact O-CB 3.3Å; L182-L186 WeakPolarHBondContact O-CB 3.04Å; L182-L186 PolarHBondContact O-N 3.36Å
183	L	94.5	Very high	88.2	Confident	34 Å²	34	73.4 Å²	73.4	18%	0.178	38%	0.383	C	S	.	.	H	α-helix	trans	-62	-40.7	177.8	177.8	62.4	0	0	0	111.7	R168 L171 Q172 H179 D181 L186 I187	R168-L183 HydrophobicContact CB-CD1 4.09Å; R168-L183 HydrophobicContact CG-CD1 3.68Å; L171-L183 HydrophobicContact CD1-CB 4.41Å; Q172-L183 HydrophobicContact CG-CD2 4.17Å; H179-L183 WeakPolarHBondContact O-CB 3.3Å; H179-L183 PolarHBondContact O-N 3.02Å; D181-L183 VanDerWaalsContact C-N 3.32Å; D181-L183 PolarHBondContact O-N 3.05Å; L183-L186 PolarHBondContact O-N 2.94Å; L183-I187 HydrophobicContact CD1-CD1 3.88Å; L183-I187 HydrophobicContact CD1-CG1 4.28Å; L183-I187 HydrophobicContact CG-CD1 3.94Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.4Å; L183-I187 PolarHBondContact O-N 3.36Å
184	R	94.8	Very high	88.7	Confident	123 Å²	123	72.1 Å²	72.1	46%	0.464	38%	0.384	S	S	.	.	H	α-helix	trans	-62.3	-51.3	175.6	177.6	171	57.7	83.8	1.2	111.1	S180 D181 L182 L186 I187 E188	S180-R184 WeakPolarHBondContact O-CB 3.47Å; S180-R184 PolarHBondContact O-N 3.04Å; D181-R184 PolarHBondContact O-N 3.24Å; D181-R184 IonicContact OD1-CZ 3.74Å; D181-R184 IonicContact OD1-NE 3.73Å; D181-R184 IonicContact OD1-NH2 3.13Å; D181-R184 PolarHBondContact OD1-NH2 2.74Å; L182-R184 VanDerWaalsContact C-N 3.32Å; L182-R184 PolarHBondContact O-N 2.89Å; R184-L186 VanDerWaalsContact C-N 3.29Å; R184-L186 PolarHBondContact O-N 2.94Å; R184-I187 PolarHBondContact O-N 3Å; R184-E188 HydrophobicContact CG-CG 4.45Å; R184-E188 WeakPolarHBondContact CG-OE1 3.32Å; R184-E188 IonicContact NH1-OE1 3.36Å; R184-E188 WeakPolarHBondContact O-CG 3.3Å; R184-E188 PolarHBondContact O-N 3.25Å
185	S	96.7	Very high	89.5	Confident	37 Å²	37	69.9 Å²	69.9	26%	0.259	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-40.5	177.2	-61.6	0	0	0	0	112.4	D181 L182 F189	D181-S185 PolarHBondContact O-N 2.89Å; D181-S185 PolarHBondContact O-OG 3.5Å; L182-S185 PolarHBondContact O-N 2.69Å; S185-F189 WeakPolarHBondContact O-CB 3.35Å; S185-F189 PolarHBondContact O-N 2.92Å
186	L	97.8	Very high	90.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-46.6	177	-177.2	73.6	0	0	0	111.8	F63 F66 F164 L167 R168 L182 L183 R184 A190	F63-L186 HydrophobicContact CE2-CD1 4.37Å; F66-L186 HydrophobicContact CD1-CD1 3.85Å; F66-L186 HydrophobicContact CE1-CB 4.32Å; F66-L186 HydrophobicContact CE1-CD1 3.41Å; F66-L186 VanDerWaalsContact CE1-CD1 3.41Å; F66-L186 HydrophobicContact CE1-CG 4.49Å; F66-L186 HydrophobicContact CE2-CB 4.35Å; F66-L186 HydrophobicContact CE2-CD1 4.43Å; F66-L186 HydrophobicContact CZ-CB 3.79Å; F66-L186 HydrophobicContact CZ-CD1 3.73Å; F66-L186 HydrophobicContact CZ-CG 4.41Å; F164-L186 HydrophobicContact CB-CD1 4.48Å; F164-L186 HydrophobicContact CD1-CD1 3.45Å; F164-L186 VanDerWaalsContact CD1-CD1 3.45Å; F164-L186 HydrophobicContact CD1-CG 4.2Å; F164-L186 HydrophobicContact CE1-CD1 4.05Å; F164-L186 HydrophobicContact CG-CD1 4.32Å; L167-L186 HydrophobicContact CB-CD2 4.03Å; L167-L186 HydrophobicContact CD2-CD1 3.89Å; L167-L186 HydrophobicContact CD2-CD2 4.08Å; L167-L186 HydrophobicContact CG-CD2 3.99Å; R168-L186 HydrophobicContact CB-CD2 3.95Å; L182-L186 VanDerWaalsContact O-CB 3.3Å; L182-L186 WeakPolarHBondContact O-CB 3.04Å; L182-L186 PolarHBondContact O-N 3.36Å; L183-L186 PolarHBondContact O-N 2.94Å; R184-L186 VanDerWaalsContact C-N 3.29Å; R184-L186 PolarHBondContact O-N 2.94Å; L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.13Å
187	I	97.3	Very high	92.4	Very high	61 Å²	61	61.4 Å²	61.4	31%	0.313	34%	0.336	S	S	.	.	H	α-helix	trans	-67.6	-44.4	-179.6	-68.7	167.1	0	0	0	110.7	L183 R184 A190 S191	L183-I187 HydrophobicContact CD1-CD1 3.88Å; L183-I187 HydrophobicContact CD1-CG1 4.28Å; L183-I187 HydrophobicContact CG-CD1 3.94Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.4Å; L183-I187 PolarHBondContact O-N 3.36Å; R184-I187 PolarHBondContact O-N 3Å; I187-A190 PolarHBondContact O-N 2.82Å; I187-S191 VanDerWaalsContact O-CB 3.28Å; I187-S191 WeakPolarHBondContact O-CB 3.24Å; I187-S191 PolarHBondContact O-N 3.14Å
188	E	97.9	Very high	93.7	Very high	99 Å²	99	62.4 Å²	62.4	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-49.4	177.9	-73	172.8	-167.7	0	0	111.2	R184 S191 L192	R184-E188 HydrophobicContact CG-CG 4.45Å; R184-E188 WeakPolarHBondContact CG-OE1 3.32Å; R184-E188 IonicContact NH1-OE1 3.36Å; R184-E188 WeakPolarHBondContact O-CG 3.3Å; R184-E188 PolarHBondContact O-N 3.25Å; E188-S191 PolarHBondContact O-N 3.04Å; E188-L192 WeakPolarHBondContact O-CG 3.49Å; E188-L192 PolarHBondContact O-N 2.97Å; E188-L192 VanDerWaalsContact O-N 3.12Å
189	F	98.2	Very high	94.9	Very high	28 Å²	28	60.7 Å²	60.7	12%	0.123	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-48.3	177.8	-173.8	-79.9	0	0	0	111.9	L62 E65 F66 T69 F164 S185 S191 L192 K193	L62-F189 WeakPolarHBondContact O-CE1 3.38Å; E65-F189 HydrophobicContact CB-CZ 4.07Å; F66-F189 HydrophobicContact CB-CD1 3.84Å; F66-F189 HydrophobicContact CB-CD2 4.18Å; F66-F189 HydrophobicContact CB-CE1 3.83Å; F66-F189 HydrophobicContact CB-CE2 4.16Å; F66-F189 HydrophobicContact CB-CG 4.02Å; F66-F189 HydrophobicContact CB-CZ 3.99Å; F66-F189 HydrophobicContact CD2-CB 3.67Å; F66-F189 HydrophobicContact CD2-CD1 4.26Å; F66-F189 AromaticContact CD2-CD2 3.99Å; F66-F189 HydrophobicContact CD2-CD2 3.99Å; F66-F189 AromaticContact CD2-CG 3.72Å; F66-F189 HydrophobicContact CD2-CG 3.72Å; F66-F189 HydrophobicContact CE2-CB 4.2Å; F66-F189 HydrophobicContact CG-CD1 4.39Å; F66-F189 HydrophobicContact CG-CG 4.28Å; T69-F189 HydrophobicContact CG2-CD2 4.26Å; T69-F189 HydrophobicContact CG2-CE2 3.98Å; F164-F189 AromaticContact CE1-CD1 3.77Å; F164-F189 HydrophobicContact CE1-CD1 3.77Å; F164-F189 HydrophobicContact CE1-CE1 4.24Å; F164-F189 HydrophobicContact CZ-CD1 4.06Å; F164-F189 HydrophobicContact CZ-CE1 4.06Å; S185-F189 WeakPolarHBondContact O-CB 3.35Å; S185-F189 PolarHBondContact O-N 2.92Å; F189-S191 VanDerWaalsContact C-N 3.31Å; F189-S191 PolarHBondContact O-N 2.56Å; F189-L192 PolarHBondContact O-N 2.92Å; F189-K193 HydrophobicContact CD1-CG 4.11Å; F189-K193 HydrophobicContact CE1-CG 3.76Å; F189-K193 HydrophobicContact CZ-CG 4.32Å; F189-K193 WeakPolarHBondContact O-CG 3.32Å; F189-K193 PolarHBondContact O-N 2.8Å
190	A	97.1	Very high	95.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-38.2	-179.2	0	0	0	0	0	112.1	F164 L186 I187 L192 K193 N194 I195 T197	F164-A190 HydrophobicContact CD1-CB 3.79Å; F164-A190 HydrophobicContact CE1-CB 4.3Å; F164-A190 HydrophobicContact CG-CB 4.28Å; L186-A190 WeakPolarHBondContact O-CB 3.36Å; L186-A190 PolarHBondContact O-N 3.13Å; I187-A190 PolarHBondContact O-N 2.82Å; A190-L192 PolarHBondContact O-N 3.15Å; A190-K193 CarbonylContact O-C 3.42Å; A190-K193 PolarHBondContact O-N 3.13Å; A190-K193 VanDerWaalsContact O-N 3.13Å; A190-N194 PolarHBondContact O-N 3.09Å; A190-I195 HydrophobicContact CB-CB 4.21Å; A190-I195 PolarHBondContact O-N 2.95Å; A190-T197 HydrophobicContact CB-CG2 3.2Å
191	S	96.6	Very high	95.8	Very high	85 Å²	85	62.9 Å²	62.9	59%	0.594	34%	0.344	S	S	*	.	H	α-helix	trans	-60.8	-43.5	175.1	-172.3	0	0	0	0	111.6	I187 E188 F189 K193 N194	I187-S191 VanDerWaalsContact O-CB 3.28Å; I187-S191 WeakPolarHBondContact O-CB 3.24Å; I187-S191 PolarHBondContact O-N 3.14Å; E188-S191 PolarHBondContact O-N 3.04Å; F189-S191 VanDerWaalsContact C-N 3.31Å; F189-S191 PolarHBondContact O-N 2.56Å; S191-K193 PolarHBondContact O-N 3.29Å; S191-N194 PolarHBondContact O-N 3.23Å
192	L	96	Very high	96	Very high	142 Å²	142	60.9 Å²	60.9	74%	0.743	34%	0.337	S	S	*	.	H	α-helix	trans	-64	-25.5	176.7	-69.2	169.9	0	0	0	113	E188 F189 A190	E188-L192 WeakPolarHBondContact O-CG 3.49Å; E188-L192 PolarHBondContact O-N 2.97Å; E188-L192 VanDerWaalsContact O-N 3.12Å; F189-L192 PolarHBondContact O-N 2.92Å; A190-L192 PolarHBondContact O-N 3.15Å
193	K	94.7	Very high	96.1	Very high	52 Å²	52	62.5 Å²	62.5	23%	0.226	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	5.2	179.1	-58.2	-58.2	-176.8	180	0	113.7	Y35 L62 F189 A190 S191 I195	Y35-K193 PolarHBondContact OH-NZ 2.97Å; L62-K193 HydrophobicContact CD1-CB 4.43Å; L62-K193 HydrophobicContact CD2-CD 4.27Å; L62-K193 HydrophobicContact CD2-CG 4.42Å; F189-K193 HydrophobicContact CD1-CG 4.11Å; F189-K193 HydrophobicContact CE1-CG 3.76Å; F189-K193 HydrophobicContact CZ-CG 4.32Å; F189-K193 WeakPolarHBondContact O-CG 3.32Å; F189-K193 PolarHBondContact O-N 2.8Å; A190-K193 CarbonylContact O-C 3.42Å; A190-K193 PolarHBondContact O-N 3.13Å; A190-K193 VanDerWaalsContact O-N 3.13Å; S191-K193 PolarHBondContact O-N 3.29Å; K193-I195 VanDerWaalsContact C-N 3.25Å; K193-I195 HydrophobicContact CB-CD1 3.95Å; K193-I195 HydrophobicContact CB-CG1 3.94Å; K193-I195 PolarHBondContact O-N 3.03Å
194	N	94.6	Very high	96.1	Very high	120 Å²	120	63.2 Å²	63.2	64%	0.642	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	35.9	-175.6	-56.9	-67.2	0	0	0	113.9	F33 A190 S191	F33-N194 HydrophobicContact CZ-CB 4.28Å; A190-N194 PolarHBondContact O-N 3.09Å; S191-N194 PolarHBondContact O-N 3.23Å
195	I	95.3	Very high	96.2	Very high	23 Å²	23	64 Å²	64	12%	0.118	35%	0.352	C	S	.	.			trans	-97.8	125.8	177.8	-55.5	174.6	0	0	0	109.6	L62 F164 A190 K193 T197	L62-I195 HydrophobicContact CB-CD1 3.91Å; L62-I195 HydrophobicContact CD1-CD1 3.59Å; L62-I195 HydrophobicContact CD1-CG1 4.33Å; L62-I195 HydrophobicContact CG-CD1 4.38Å; F164-I195 HydrophobicContact CB-CG2 4.25Å; F164-I195 HydrophobicContact CD2-CB 4.46Å; F164-I195 HydrophobicContact CD2-CD1 3.87Å; F164-I195 HydrophobicContact CD2-CG2 3.69Å; F164-I195 HydrophobicContact CE2-CD1 3.4Å; F164-I195 HydrophobicContact CE2-CG2 4.33Å; F164-I195 HydrophobicContact CG-CG2 4.1Å; F164-I195 HydrophobicContact CZ-CD1 3.83Å; A190-I195 HydrophobicContact CB-CB 4.21Å; A190-I195 PolarHBondContact O-N 2.95Å; K193-I195 VanDerWaalsContact C-N 3.25Å; K193-I195 HydrophobicContact CB-CD1 3.95Å; K193-I195 HydrophobicContact CB-CG1 3.94Å; K193-I195 PolarHBondContact O-N 3.03Å; I195-T197 PolarHBondContact O-N 2.61Å
196	P	96.1	Very high	96.2	Very high	79 Å²	79	65.4 Å²	65.4	51%	0.513	36%	0.356	S	S	.	.			trans	-64.8	131.5	174.7	-20.9	32.3	0	0	0	111.9	N162	N162-P196 PolarHBondContact ND2-O 2.89Å; N162-P196 PolarHBondContact OD1-O 2.86Å
197	T	97.2	Very high	96.1	Very high	12 Å²	12	65.4 Å²	65.4	7%	0.074	36%	0.356	C	S	.	.			trans	-107.1	-12.4	176	60.7	0	0	0	0	113.4	F164 A165 R168 A190 I195	F164-T197 HydrophobicContact CB-CG2 4.03Å; A165-T197 VanDerWaalsContact CA-O 3.24Å; A165-T197 WeakPolarHBondContact CA-O 3.31Å; R168-T197 WeakPolarHBondContact CD-O 3.49Å; R168-T197 PolarHBondContact NH1-OG1 3.35Å; A190-T197 HydrophobicContact CB-CG2 3.2Å; I195-T197 PolarHBondContact O-N 2.61Å
198	D	96.8	Very high	96.1	Very high	95 Å²	95	69.8 Å²	69.8	51%	0.508	37%	0.373	S	S	.	.	S	Bend	trans	-81.7	142.1	171.9	-71.2	-67.9	0	0	0	110.8	Q161 R168 S200	Q161-D198 PolarHBondContact NE2-O 3.37Å; R168-D198 IonicContact CZ-OD1 3.65Å; R168-D198 IonicContact CZ-OD2 2.87Å; R168-D198 IonicContact NE-OD1 3.62Å; R168-D198 IonicContact NH1-OD1 2.68Å; R168-D198 PolarHBondContact NH1-OD1 3.4Å; R168-D198 IonicContact NH1-OD2 3.37Å; R168-D198 PolarHBondContact NH1-OD2 2.99Å; R168-D198 IonicContact NH2-OD1 3.01Å; R168-D198 PolarHBondContact NH2-OD1 2.95Å; R168-D198 IonicContact NH2-OD2 3.65Å; D198-S200 PolarHBondContact O-N 2.96Å
199	L	96.1	Very high	96	Very high	73 Å²	73	71.8 Å²	71.8	38%	0.382	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-63.1	133.6	171.7	-68.3	-178	0	0	0	110.4	Y158 C159 A165 S169 S201	Y158-L199 HydrophobicContact CE1-CD2 4.49Å; C159-L199 WeakPolarHBondContact O-CD2 3.28Å; A165-L199 HydrophobicContact CB-CD2 4.14Å; S169-L199 WeakPolarHBondContact OG-CD1 3.24Å; L199-S201 PolarHBondContact O-N 3.41Å
200	S	95.6	Very high	95.8	Very high	42 Å²	42	73.7 Å²	73.7	29%	0.294	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-71.3	124.6	173.3	167	0	0	0	0	111	D198 S202 Y203	D198-S200 PolarHBondContact O-N 2.96Å; S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.02Å; S200-S202 PolarHBondContact OG-N 3.44Å; S200-Y203 PolarHBondContact OG-N 2.91Å; S200-Y203 VanDerWaalsContact OG-N 3.14Å
201	S	93.2	Very high	95.8	Very high	103 Å²	103	75.6 Å²	75.6	72%	0.72	40%	0.395	S	S	*	.	S	Bend	trans	-73.7	-14.8	179.5	66.4	0	0	0	0	113.9	L199 K205	L199-S201 PolarHBondContact O-N 3.41Å; S201-K205 PolarHBondContact O-NZ 2.87Å
202	S	95.3	Very high	95.8	Very high	50 Å²	50	72.8 Å²	72.8	35%	0.35	38%	0.375	S	S	.	.	S	Bend	trans	-106.9	-20.8	-179.5	80.3	0	0	0	0	113.5	S200 M204 K205 D206	S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.02Å; S200-S202 PolarHBondContact OG-N 3.44Å; S202-M204 PolarHBondContact O-N 3.21Å; S202-K205 CarbonylContact O-C 3.58Å; S202-K205 WeakPolarHBondContact O-CA 3.34Å; S202-K205 VanDerWaalsContact O-CB 3.32Å; S202-K205 WeakPolarHBondContact O-CB 3.49Å; S202-K205 PolarHBondContact O-N 3.3Å; S202-D206 VanDerWaalsContact CB-OD2 3.23Å; S202-D206 WeakPolarHBondContact CB-OD2 3.15Å; S202-D206 PolarHBondContact O-N 2.76Å; S202-D206 PolarHBondContact OG-OD2 3.23Å
203	Y	96.3	Very high	95.9	Very high	55 Å²	55	66.7 Å²	66.7	22%	0.216	34%	0.344	C	S	.	.	H	α-helix	trans	-48.4	-57.5	-169.3	-167.9	-84.8	0	0	0	113.6	F144 Y158 Q161 S200 K205 D206 R207	F144-Y203 HydrophobicContact CB-CE1 3.64Å; F144-Y203 AromaticContact CD1-CE1 3.82Å; F144-Y203 HydrophobicContact CD1-CE1 3.82Å; F144-Y203 AromaticContact CG-CE1 3.78Å; F144-Y203 HydrophobicContact CG-CE1 3.78Å; Y158-Y203 HydrophobicContact CD2-CD1 4.35Å; Y158-Y203 AromaticContact CE2-CD1 3.66Å; Y158-Y203 HydrophobicContact CE2-CD1 3.66Å; Y158-Y203 HydrophobicContact CE2-CE1 4.13Å; Y158-Y203 HydrophobicContact CE2-CG 4.31Å; Q161-Y203 HydrophobicContact CB-CD2 3.66Å; Q161-Y203 HydrophobicContact CB-CE2 3.8Å; Q161-Y203 HydrophobicContact CB-CG 4.2Å; S200-Y203 PolarHBondContact OG-N 2.91Å; S200-Y203 VanDerWaalsContact OG-N 3.14Å; Y203-K205 VanDerWaalsContact C-N 3.32Å; Y203-K205 PolarHBondContact O-N 3.35Å; Y203-D206 PolarHBondContact O-N 2.9Å; Y203-R207 PolarHBondContact O-N 3.45Å
204	M	95	Very high	95.8	Very high	48 Å²	48	67.2 Å²	67.2	24%	0.236	35%	0.354	C	S	.	.	H	α-helix	trans	-72.1	-24.7	179.4	-71.1	-56.4	-66.2	0	0	113.3	Y158 S202 K208	Y158-M204 HydrophobicContact CD1-CG 3.65Å; Y158-M204 HydrophobicContact CD2-CG 3.67Å; Y158-M204 HydrophobicContact CD2-SD 3.62Å; Y158-M204 HydrophobicContact CE1-CG 4.13Å; Y158-M204 HydrophobicContact CE2-CG 4.15Å; Y158-M204 HydrophobicContact CE2-SD 4.31Å; Y158-M204 HydrophobicContact CG-CG 3.38Å; Y158-M204 HydrophobicContact CG-SD 3.8Å; S202-M204 PolarHBondContact O-N 3.21Å; M204-K208 WeakPolarHBondContact O-CB 3.09Å; M204-K208 PolarHBondContact O-N 2.85Å
205	K	96	Very high	95.7	Very high	141 Å²	141	61.5 Å²	61.5	61%	0.613	32%	0.323	S	S	*	.	H	α-helix	trans	-68.9	-39.4	172.7	-62.7	176	-177.3	163	0	110.8	S201 S202 Y203 K209	S201-K205 PolarHBondContact O-NZ 2.87Å; S202-K205 CarbonylContact O-C 3.58Å; S202-K205 WeakPolarHBondContact O-CA 3.34Å; S202-K205 VanDerWaalsContact O-CB 3.32Å; S202-K205 WeakPolarHBondContact O-CB 3.49Å; S202-K205 PolarHBondContact O-N 3.3Å; Y203-K205 VanDerWaalsContact C-N 3.32Å; Y203-K205 PolarHBondContact O-N 3.35Å; K205-K209 WeakPolarHBondContact O-CG 3.31Å; K205-K209 PolarHBondContact O-N 3.21Å
206	D	96.4	Very high	95.7	Very high	65 Å²	65	61.1 Å²	61.1	35%	0.348	32%	0.321	S	S	.	.	H	α-helix	trans	-73.9	-41.4	179	-64.4	-34	0	0	0	111.1	S202 Y203 K208 K209	S202-D206 VanDerWaalsContact CB-OD2 3.23Å; S202-D206 WeakPolarHBondContact CB-OD2 3.15Å; S202-D206 PolarHBondContact O-N 2.76Å; S202-D206 PolarHBondContact OG-OD2 3.23Å; Y203-D206 PolarHBondContact O-N 2.9Å; D206-K208 PolarHBondContact O-N 3.08Å; D206-K209 WeakPolarHBondContact O-CB 3.39Å; D206-K209 PolarHBondContact O-N 3.46Å; D206-K209 IonicContact OD1-NZ 3.7Å; D206-K209 PolarHBondContact OD1-NZ 3.15Å
207	R	96.9	Very high	95.7	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-42.4	170.6	-174.3	166.2	172	-84.1	-7.5	112	D137 Y203 K209 R210 Q211 I219 G220 V222	D137-R207 IonicContact OD1-CZ 3.47Å; D137-R207 VanDerWaalsContact OD1-CZ 3.23Å; D137-R207 IonicContact OD1-NE 2.84Å; D137-R207 PolarHBondContact OD1-NE 2.8Å; D137-R207 IonicContact OD1-NH2 3.85Å; D137-R207 PolarHBondContact OD1-NH2 2.99Å; D137-R207 IonicContact OD2-CZ 2.64Å; D137-R207 IonicContact OD2-NE 3.76Å; D137-R207 PolarHBondContact OD2-NE 3.26Å; D137-R207 IonicContact OD2-NH2 2.72Å; Y203-R207 PolarHBondContact O-N 3.45Å; R207-K209 PolarHBondContact O-N 3.35Å; R207-R210 WeakPolarHBondContact O-CA 3.46Å; R207-R210 WeakPolarHBondContact O-CB 3.47Å; R207-R210 PolarHBondContact O-N 3.29Å; R207-Q211 PolarHBondContact O-N 3.28Å; R207-I219 PolarHBondContact NH1-O 2.59Å; R207-G220 PolarHBondContact NH2-O 3.3Å; R207-V222 HydrophobicContact CG-CG2 4.26Å
208	K	96.4	Very high	95.7	Very high	153 Å²	153	63.1 Å²	63.1	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-58.4	-29.4	177.7	-174.6	171.2	-175.5	173.8	0	113.5	M204 D206 R210 Q211	M204-K208 WeakPolarHBondContact O-CB 3.09Å; M204-K208 PolarHBondContact O-N 2.85Å; D206-K208 PolarHBondContact O-N 3.08Å; K208-R210 PolarHBondContact O-N 3.4Å; K208-Q211 PolarHBondContact O-N 2.84Å
209	K	96	Very high	95.7	Very high	141 Å²	141	58.8 Å²	58.8	61%	0.613	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21	174.1	-64.9	165.2	-169.5	163	0	113.3	K205 D206 R207	K205-K209 WeakPolarHBondContact O-CG 3.31Å; K205-K209 PolarHBondContact O-N 3.21Å; D206-K209 WeakPolarHBondContact O-CB 3.39Å; D206-K209 PolarHBondContact O-N 3.46Å; D206-K209 IonicContact OD1-NZ 3.7Å; D206-K209 PolarHBondContact OD1-NZ 3.15Å; R207-K209 PolarHBondContact O-N 3.35Å
210	R	94.8	Very high	95.7	Very high	67 Å²	67	55.4 Å²	55.4	25%	0.253	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-10.6	178.6	-59.7	-176.8	-70.6	161.6	-2.7	112.8	E27 R207 K208 V222	E27-R210 IonicContact OE1-CZ 3.64Å; E27-R210 IonicContact OE1-NH1 3.91Å; E27-R210 PolarHBondContact OE1-NH1 3.35Å; E27-R210 IonicContact OE1-NH2 2.82Å; R207-R210 WeakPolarHBondContact O-CA 3.46Å; R207-R210 WeakPolarHBondContact O-CB 3.47Å; R207-R210 PolarHBondContact O-N 3.29Å; K208-R210 PolarHBondContact O-N 3.4Å; R210-V222 HydrophobicContact CB-CG1 4.17Å; R210-V222 HydrophobicContact CB-CG2 4.47Å
211	Q	97	Very high	95.9	Very high	40 Å²	40	53.7 Å²	53.7	19%	0.187	27%	0.27	C	S	.	.			trans	-73.3	137.5	179.3	-73.6	174.3	-11.4	0	0	110.8	R207 K208 I219 L221 V222	R207-Q211 PolarHBondContact O-N 3.28Å; K208-Q211 PolarHBondContact O-N 2.84Å; Q211-I219 PolarHBondContact NE2-O 3.43Å; Q211-L221 CarbonylContact C-O 3.1Å; Q211-L221 VanDerWaalsContact CA-O 3.23Å; Q211-L221 WeakPolarHBondContact CA-O 3.27Å; Q211-V222 HydrophobicContact CG-CG2 3.77Å
212	V	97.4	Very high	96.1	Very high	27 Å²	27	49.5 Å²	49.5	16%	0.164	24%	0.24	C	C	.	.	S	Bend	trans	-87.2	-30	172.2	-64	0	0	0	0	111.7	L221 I223 V225 Y232	V212-L221 HydrophobicContact CG2-CB 4.16Å; V212-L221 HydrophobicContact CG2-CD2 4.01Å; V212-L221 HydrophobicContact CG2-CG 4Å; V212-L221 WeakPolarHBondContact CG2-O 3.27Å; V212-L221 PolarHBondContact N-O 3.33Å; V212-I223 HydrophobicContact CG1-CG1 3.99Å; V212-I223 HydrophobicContact CG2-CD1 4.45Å; V212-I223 HydrophobicContact CG2-CG1 3.93Å; V212-V225 HydrophobicContact CG1-CG2 3.78Å; V212-Y232 HydrophobicContact CB-CD1 3.67Å; V212-Y232 HydrophobicContact CB-CD2 3.93Å; V212-Y232 HydrophobicContact CB-CE1 4.02Å; V212-Y232 HydrophobicContact CB-CE2 4.28Å; V212-Y232 HydrophobicContact CB-CG 3.61Å; V212-Y232 HydrophobicContact CG1-CD1 4.32Å; V212-Y232 HydrophobicContact CG1-CG 4.13Å; V212-Y232 HydrophobicContact CG2-CD1 4.32Å; V212-Y232 HydrophobicContact CG2-CD2 3.63Å; V212-Y232 HydrophobicContact CG2-CE2 3.95Å; V212-Y232 HydrophobicContact CG2-CG 3.84Å; V212-Y232 WeakPolarHBondContact O-CE1 3.37Å
213	C	96.6	Very high	96	Very high	14 Å²	14	47.4 Å²	47.4	10%	0.095	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-153.5	167.9	175.2	68.6	0	0	0	0	111.7	G220 L221 Y232 E286	C213-G220 CarbonylContact O-C 3.45Å; C213-G220 WeakPolarHBondContact O-CA 3.45Å; C213-L221 PolarHBondContact O-N 3.18Å; C213-Y232 HydrophobicContact CB-CE2 4.27Å; C213-Y232 VanDerWaalsContact CB-OH 3.31Å; C213-Y232 WeakPolarHBondContact CB-OH 3.48Å; C213-E286 VanDerWaalsContact SG-CD 3.6Å
214	S	92.5	Very high	95.8	Very high	62 Å²	62	51.3 Å²	51.3	43%	0.434	25%	0.25	S	C	.	.			trans	-91.5	-18.1	-175.4	60.3	0	0	0	0	114.9	H218 G220 Y239	S214-H218 CarbonylContact O-C 3.51Å; S214-H218 VanDerWaalsContact O-CA 3.3Å; S214-H218 WeakPolarHBondContact O-CA 3.41Å; S214-G220 VanDerWaalsContact O-CA 3.28Å; S214-G220 WeakPolarHBondContact O-CA 3.45Å; S214-G220 PolarHBondContact O-N 3Å; S214-Y239 WeakPolarHBondContact OG-CE2 3.17Å
215	T	93	Very high	95.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	25%	0.249	C	C	.	.			trans	55	157.7	-176.7	52	0	0	0	0	114.5	N217 H218 G220 L221 Y239 L289	T215-N217 VanDerWaalsContact C-N 3.26Å; T215-N217 VanDerWaalsContact CB-OD1 3.31Å; T215-N217 WeakPolarHBondContact CB-OD1 3.35Å; T215-N217 PolarHBondContact O-N 3.41Å; T215-N217 PolarHBondContact OG1-OD1 2.88Å; T215-H218 PolarHBondContact O-N 3.46Å; T215-G220 WeakPolarHBondContact OG1-CA 3.18Å; T215-G220 PolarHBondContact OG1-N 2.66Å; T215-G220 VanDerWaalsContact OG1-N 3.09Å; T215-L221 HydrophobicContact CG2-CB 4.02Å; T215-Y239 PolarHBondContact N-OH 3.44Å; T215-Y239 VanDerWaalsContact N-OH 3.14Å; T215-L289 HydrophobicContact CG2-CB 4.43Å; T215-L289 HydrophobicContact CG2-CD1 4.33Å
216	I	95.4	Very high	95.5	Very high	15 Å²	15	47.5 Å²	47.5	8%	0.077	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.7	178.6	-66.3	-173.1	0	0	0	112.3	H218 Y239 L242 A293	I216-H218 PolarHBondContact O-CD2 2.76Å; I216-H218 PolarHBondContact O-N 3.04Å; I216-H218 PolarHBondContact O-NE2 3.49Å; I216-Y239 HydrophobicContact CD1-CD1 4.46Å; I216-Y239 HydrophobicContact CD1-CG 4.32Å; I216-Y239 HydrophobicContact CG1-CD1 4.01Å; I216-Y239 HydrophobicContact CG1-CD2 4.03Å; I216-Y239 HydrophobicContact CG1-CG 3.7Å; I216-L242 HydrophobicContact CD1-CD2 4.07Å; I216-L242 HydrophobicContact CD1-CG 4.48Å; I216-A293 HydrophobicContact CB-CB 4.22Å; I216-A293 HydrophobicContact CG2-CB 4.06Å
217	N	96.7	Very high	95.2	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	1.2	172.5	63.6	10.9	0	0	0	113.7	G154 L156 T215 I219 A293	G154-N217 WeakPolarHBondContact O-CA 3.32Å; G154-N217 WeakPolarHBondContact O-CB 3.24Å; L156-N217 PolarHBondContact N-O 3.05Å; T215-N217 VanDerWaalsContact C-N 3.26Å; T215-N217 VanDerWaalsContact CB-OD1 3.31Å; T215-N217 WeakPolarHBondContact CB-OD1 3.35Å; T215-N217 PolarHBondContact O-N 3.41Å; T215-N217 PolarHBondContact OG1-OD1 2.88Å; N217-I219 PolarHBondContact O-N 2.82Å; N217-I219 WeakPolarHBondContact OD1-CG2 3.06Å; N217-I219 PolarHBondContact OD1-N 3.18Å; N217-A293 HydrophobicContact CB-CB 3.84Å
218	H	96.6	Very high	94.9	Very high	129 Å²	129	61 Å²	61	60%	0.597	30%	0.303	S	S	*	.	S	Bend	trans	62	-5.8	179	-60.7	-92	0	0	0	117.3	V155 S214 T215 I216 G220	V155-H218 HydrophobicContact CG1-CB 4.16Å; S214-H218 CarbonylContact O-C 3.51Å; S214-H218 VanDerWaalsContact O-CA 3.3Å; S214-H218 WeakPolarHBondContact O-CA 3.41Å; T215-H218 PolarHBondContact O-N 3.46Å; I216-H218 PolarHBondContact O-CD2 2.76Å; I216-H218 PolarHBondContact O-N 3.04Å; I216-H218 PolarHBondContact O-NE2 3.49Å; H218-G220 VanDerWaalsContact C-N 3.27Å; H218-G220 PolarHBondContact O-N 2.82Å
219	I	97.5	Very high	94.7	Very high	3 Å²	3	58 Å²	58	2%	0.015	29%	0.294	C	S	.	.	S	Bend	trans	-75.6	-21.7	178.4	-154.1	69.8	0	0	0	111.8	F135 F144 A146 L156 R207 Q211 N217	F135-I219 HydrophobicContact CD1-CG1 4.37Å; F135-I219 HydrophobicContact CD2-CG1 4.23Å; F135-I219 HydrophobicContact CD2-CG2 4.3Å; F135-I219 HydrophobicContact CE1-CG1 4.37Å; F135-I219 HydrophobicContact CE1-CG2 4.27Å; F135-I219 HydrophobicContact CE2-CB 4.45Å; F135-I219 HydrophobicContact CE2-CG1 4.24Å; F135-I219 HydrophobicContact CE2-CG2 3.52Å; F135-I219 HydrophobicContact CG-CG1 4.29Å; F135-I219 HydrophobicContact CZ-CG1 4.31Å; F135-I219 HydrophobicContact CZ-CG2 3.51Å; F144-I219 HydrophobicContact CE2-CD1 3.74Å; F144-I219 HydrophobicContact CE2-CG1 4.12Å; F144-I219 HydrophobicContact CZ-CD1 4.03Å; F144-I219 HydrophobicContact CZ-CG1 3.92Å; A146-I219 HydrophobicContact CB-CD1 4.2Å; L156-I219 HydrophobicContact CB-CB 3.89Å; L156-I219 HydrophobicContact CB-CD1 4.22Å; L156-I219 HydrophobicContact CB-CG1 4.31Å; L156-I219 HydrophobicContact CB-CG2 4.45Å; L156-I219 HydrophobicContact CD1-CB 4.42Å; L156-I219 HydrophobicContact CD1-CG2 4.1Å; L156-I219 WeakPolarHBondContact O-CD1 3.39Å; R207-I219 PolarHBondContact NH1-O 2.59Å; Q211-I219 PolarHBondContact NE2-O 3.43Å; N217-I219 PolarHBondContact O-N 2.82Å; N217-I219 WeakPolarHBondContact OD1-CG2 3.06Å; N217-I219 PolarHBondContact OD1-N 3.18Å
220	G	96.5	Very high	94.7	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.031	28%	0.281	C	S	.	.			trans	75.9	154.8	179.2	0	0	0	0	0	114.4	R207 C213 S214 T215 H218	R207-G220 PolarHBondContact NH2-O 3.3Å; C213-G220 CarbonylContact O-C 3.45Å; C213-G220 WeakPolarHBondContact O-CA 3.45Å; S214-G220 VanDerWaalsContact O-CA 3.28Å; S214-G220 WeakPolarHBondContact O-CA 3.45Å; S214-G220 PolarHBondContact O-N 3Å; T215-G220 WeakPolarHBondContact OG1-CA 3.18Å; T215-G220 PolarHBondContact OG1-N 2.66Å; T215-G220 VanDerWaalsContact OG1-N 3.09Å; H218-G220 VanDerWaalsContact C-N 3.27Å; H218-G220 PolarHBondContact O-N 2.82Å
221	L	97.9	Very high	94.8	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-104.1	131.5	-177.1	179.6	63.4	0	0	0	110.5	Q211 V212 C213 T215 I223 L285 L289	Q211-L221 CarbonylContact C-O 3.1Å; Q211-L221 VanDerWaalsContact CA-O 3.23Å; Q211-L221 WeakPolarHBondContact CA-O 3.27Å; V212-L221 HydrophobicContact CG2-CB 4.16Å; V212-L221 HydrophobicContact CG2-CD2 4.01Å; V212-L221 HydrophobicContact CG2-CG 4Å; V212-L221 WeakPolarHBondContact CG2-O 3.27Å; V212-L221 PolarHBondContact N-O 3.33Å; C213-L221 PolarHBondContact O-N 3.18Å; T215-L221 HydrophobicContact CG2-CB 4.02Å; L221-I223 HydrophobicContact CD1-CG2 3.96Å; L221-I223 HydrophobicContact CD2-CG2 4.4Å; L221-I223 HydrophobicContact CG-CG2 4.07Å; L221-L285 HydrophobicContact CD1-CB 4.39Å; L221-L285 HydrophobicContact CD1-CD1 4.36Å; L221-L285 HydrophobicContact CD2-CB 3.78Å; L221-L289 HydrophobicContact CD1-CD1 4.11Å
222	V	97.3	Very high	94.8	Very high	16 Å²	16	50.6 Å²	50.6	10%	0.097	27%	0.266	C	S	.	.			trans	-117.5	122.5	170.9	180	0	0	0	0	108.7	D137 R207 R210 Q211 R324	D137-V222 HydrophobicContact CB-CB 4.1Å; D137-V222 HydrophobicContact CB-CG1 4.47Å; R207-V222 HydrophobicContact CG-CG2 4.26Å; R210-V222 HydrophobicContact CB-CG1 4.17Å; R210-V222 HydrophobicContact CB-CG2 4.47Å; Q211-V222 HydrophobicContact CG-CG2 3.77Å; V222-R324 PolarHBondContact O-NH1 3.27Å; V222-R324 PolarHBondContact O-NH2 3.46Å
223	I	94.9	Very high	94.8	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	28%	0.276	C	S	.	.			trans	-139.7	159.3	174	60	165.8	0	0	0	110.3	V212 L221 V225 G231 F281 G282 L285	V212-I223 HydrophobicContact CG1-CG1 3.99Å; V212-I223 HydrophobicContact CG2-CD1 4.45Å; V212-I223 HydrophobicContact CG2-CG1 3.93Å; L221-I223 HydrophobicContact CD1-CG2 3.96Å; L221-I223 HydrophobicContact CD2-CG2 4.4Å; L221-I223 HydrophobicContact CG-CG2 4.07Å; I223-V225 HydrophobicContact CG1-CG2 4.47Å; I223-V225 PolarHBondContact O-N 3.49Å; I223-G231 WeakPolarHBondContact CD1-O 3.33Å; I223-F281 HydrophobicContact CB-CE2 4.33Å; I223-F281 HydrophobicContact CD1-CD2 4.3Å; I223-F281 HydrophobicContact CD1-CE2 3.83Å; I223-F281 HydrophobicContact CG2-CE2 4.43Å; I223-G282 VanDerWaalsContact CD1-CA 3.46Å; I223-L285 HydrophobicContact CG2-CD1 3.97Å
224	D	90.7	Very high	94.8	Very high	138 Å²	138	56.8 Å²	56.8	74%	0.738	29%	0.293	S	S	*	.			trans	-76.8	114.8	176.4	-60.9	-43.3	0	0	0	109.4
225	V	93.1	Very high	95	Very high	35 Å²	35	54.8 Å²	54.8	21%	0.212	28%	0.278	C	S	.	.			trans	-98.7	128.7	171.7	-179.7	0	0	0	0	108	V212 I223	V212-V225 HydrophobicContact CG1-CG2 3.78Å; I223-V225 HydrophobicContact CG1-CG2 4.47Å; I223-V225 PolarHBondContact O-N 3.49Å
226	T	92.7	Very high	95.1	Very high	74 Å²	74	59.9 Å²	59.9	45%	0.454	31%	0.305	S	S	.	.			trans	-67	166.8	180	68.8	0	0	0	0	111.5	N228 D229 I230	T226-N228 PolarHBondContact O-N 2.63Å; T226-N228 VanDerWaalsContact O-N 3.08Å; T226-N228 PolarHBondContact OG1-N 2.91Å; T226-D229 PolarHBondContact O-N 3.44Å; T226-I230 HydrophobicContact CG2-CB 4.48Å; T226-I230 WeakPolarHBondContact CG2-O 3.4Å; T226-I230 PolarHBondContact N-O 2.75Å; T226-I230 WeakPolarHBondContact OG1-CB 3.26Å; T226-I230 PolarHBondContact OG1-N 2.98Å; T226-I230 VanDerWaalsContact OG1-N 3.16Å; T226-I230 PolarHBondContact OG1-O 3.46Å; T226-I230 VanDerWaalsContact OG1-O 3.12Å
227	K	89.9	Confident	95.2	Very high	214 Å²	214	60.1 Å²	60.1	93%	0.93	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.2	175.8	-64.9	-177.5	-179.1	177.2	0	113.9	D229	K227-D229 VanDerWaalsContact C-N 3.29Å
228	N	91.2	Very high	95.2	Very high	134 Å²	134	63.2 Å²	63.2	72%	0.717	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	15.5	178.4	-63.9	-22	0	0	0	112.4	T226 I230	T226-N228 PolarHBondContact O-N 2.63Å; T226-N228 VanDerWaalsContact O-N 3.08Å; T226-N228 PolarHBondContact OG1-N 2.91Å; N228-I230 HydrophobicContact CB-CD1 4.2Å; N228-I230 HydrophobicContact CB-CG1 4.28Å; N228-I230 PolarHBondContact O-N 3.45Å
229	D	92.2	Very high	95.3	Very high	90 Å²	90	59.6 Å²	59.6	48%	0.481	31%	0.31	S	S	.	.	S	Bend	trans	62.8	23.4	-178.8	-147.8	33.2	0	0	0	113.9	T226 K227	T226-D229 PolarHBondContact O-N 3.44Å; K227-D229 VanDerWaalsContact C-N 3.29Å
230	I	95.8	Very high	95.3	Very high	68 Å²	68	64.2 Å²	64.2	35%	0.349	34%	0.339	S	S	.	.			trans	-91.9	132.5	174.8	-55.8	169.8	0	0	0	109	T226 N228 E278	T226-I230 HydrophobicContact CG2-CB 4.48Å; T226-I230 WeakPolarHBondContact CG2-O 3.4Å; T226-I230 PolarHBondContact N-O 2.75Å; T226-I230 WeakPolarHBondContact OG1-CB 3.26Å; T226-I230 PolarHBondContact OG1-N 2.98Å; T226-I230 VanDerWaalsContact OG1-N 3.16Å; T226-I230 PolarHBondContact OG1-O 3.46Å; T226-I230 VanDerWaalsContact OG1-O 3.12Å; N228-I230 HydrophobicContact CB-CD1 4.2Å; N228-I230 HydrophobicContact CB-CG1 4.28Å; N228-I230 PolarHBondContact O-N 3.45Å; I230-E278 WeakPolarHBondContact CG2-O 3.4Å
231	G	95.8	Very high	95.4	Very high	2 Å²	2	67.6 Å²	67.6	2%	0.021	35%	0.354	C	S	.	.	S	Bend	trans	140.9	-29.2	177.1	0	0	0	0	0	111.7	I223 G279 D280 F281 G282	I223-G231 WeakPolarHBondContact CD1-O 3.33Å; G231-G279 WeakPolarHBondContact CA-O 3.23Å; G231-D280 PolarHBondContact N-OD1 3.05Å; G231-D280 CarbonylContact O-C 3.59Å; G231-F281 PolarHBondContact O-N 3.5Å; G231-G282 WeakPolarHBondContact O-CA 3.21Å; G231-G282 PolarHBondContact O-N 2.98Å
232	Y	98.1	Very high	95.4	Very high	24 Å²	24	67.4 Å²	67.4	9%	0.094	35%	0.353	C	S	.	.			trans	-142.8	132.6	-178.1	179.8	-110.6	0	0	0	112.3	V212 C213 P234 D280 E286	V212-Y232 HydrophobicContact CB-CD1 3.67Å; V212-Y232 HydrophobicContact CB-CD2 3.93Å; V212-Y232 HydrophobicContact CB-CE1 4.02Å; V212-Y232 HydrophobicContact CB-CE2 4.28Å; V212-Y232 HydrophobicContact CB-CG 3.61Å; V212-Y232 HydrophobicContact CG1-CD1 4.32Å; V212-Y232 HydrophobicContact CG1-CG 4.13Å; V212-Y232 HydrophobicContact CG2-CD1 4.32Å; V212-Y232 HydrophobicContact CG2-CD2 3.63Å; V212-Y232 HydrophobicContact CG2-CE2 3.95Å; V212-Y232 HydrophobicContact CG2-CG 3.84Å; V212-Y232 WeakPolarHBondContact O-CE1 3.37Å; C213-Y232 HydrophobicContact CB-CE2 4.27Å; C213-Y232 VanDerWaalsContact CB-OH 3.31Å; C213-Y232 WeakPolarHBondContact CB-OH 3.48Å; Y232-P234 HydrophobicContact CE1-CB 4.37Å; Y232-P234 WeakPolarHBondContact OH-CA 3.01Å; Y232-D280 PolarHBondContact N-OD1 3.41Å; Y232-E286 VanDerWaalsContact CE2-OE2 3.23Å; Y232-E286 WeakPolarHBondContact CE2-OE2 3.35Å; Y232-E286 PolarHBondContact OH-OE2 2.69Å
233	R	96	Very high	95.4	Very high	101 Å²	101	69 Å²	69	38%	0.381	36%	0.361	S	S	.	.			trans	-131.2	138.3	163.2	-174.2	176.8	-60.8	165.3	9.3	109.3	E278 D280 Q283	R233-E278 IonicContact CZ-OE2 2.94Å; R233-E278 IonicContact NH1-OE2 2.7Å; R233-E278 PolarHBondContact NH1-OE2 2.78Å; R233-E278 IonicContact NH2-OE2 3.74Å; R233-E278 PolarHBondContact NH2-OE2 3.02Å; R233-D280 HydrophobicContact CB-CB 4.08Å; R233-D280 IonicContact CZ-OD2 3Å; R233-D280 IonicContact NE-OD2 3.76Å; R233-D280 PolarHBondContact NE-OD2 2.96Å; R233-D280 IonicContact NH2-OD2 3.24Å; R233-D280 PolarHBondContact NH2-OD2 3.38Å; R233-Q283 VanDerWaalsContact O-CB 3.23Å; R233-Q283 WeakPolarHBondContact O-CB 3.42Å; R233-Q283 VanDerWaalsContact O-CG 3.28Å; R233-Q283 WeakPolarHBondContact O-CG 3.34Å
234	P	96.4	Very high	95.6	Very high	70 Å²	70	72.6 Å²	72.6	46%	0.455	38%	0.38	S	S	.	.			trans	-66.7	155.9	179.4	27.5	-36.2	0	0	0	112.8	Y232 Q283	Y232-P234 HydrophobicContact CE1-CB 4.37Å; Y232-P234 WeakPolarHBondContact OH-CA 3.01Å; P234-Q283 PolarHBondContact O-NE2 3Å
235	L	97.4	Very high	95.9	Very high	20 Å²	20	68.7 Å²	68.7	11%	0.105	36%	0.355	C	S	.	.			trans	-63.2	144.8	168.7	-61.4	178	0	0	0	110.8	V237 Y239 Q283 E286 L287	L235-V237 HydrophobicContact CB-CG2 4.48Å; L235-V237 PolarHBondContact O-N 3.17Å; L235-Y239 HydrophobicContact CD1-CE1 4.4Å; L235-Q283 HydrophobicContact CD2-CG 3.69Å; L235-E286 HydrophobicContact CD1-CG 3.84Å; L235-E286 HydrophobicContact CG-CG 4.04Å; L235-L287 HydrophobicContact CD1-CB 4.47Å; L235-L287 HydrophobicContact CD1-CD1 4.22Å; L235-L287 HydrophobicContact CD2-CB 3.9Å; L235-L287 HydrophobicContact CD2-CD1 4.37Å
236	N	95.1	Very high	96.2	Very high	107 Å²	107	67 Å²	67	57%	0.572	35%	0.345	S	S	*	.	S	Bend	trans	-82.8	20.8	173.4	62.8	-9.9	0	0	0	112.8	L268	N236-L268 WeakPolarHBondContact OD1-CD2 3.38Å
237	V	97.3	Very high	96.5	Very high	21 Å²	21	64.8 Å²	64.8	13%	0.127	33%	0.329	C	S	.	.	S	Bend	trans	-140.1	151.6	176.6	-44.4	0	0	0	0	109.8	L235 E241 L242 L268	L235-V237 HydrophobicContact CB-CG2 4.48Å; L235-V237 PolarHBondContact O-N 3.17Å; V237-E241 HydrophobicContact CB-CG 4.35Å; V237-L242 HydrophobicContact CG2-CB 3.91Å; V237-L268 HydrophobicContact CG1-CD1 4.07Å; V237-L268 HydrophobicContact CG1-CD2 3.44Å; V237-L268 VanDerWaalsContact CG1-CD2 3.44Å; V237-L268 HydrophobicContact CG1-CG 4.37Å; V237-L268 HydrophobicContact CG2-CD1 4.1Å
238	S	97.4	Very high	96.9	Very high	68 Å²	68	58.5 Å²	58.5	48%	0.476	31%	0.306	S	S	.	.			trans	-77.3	158.3	168.8	72.1	0	0	0	0	111.1	T240 E241 L242	S238-T240 VanDerWaalsContact C-N 3.27Å; S238-T240 PolarHBondContact O-N 2.9Å; S238-E241 PolarHBondContact O-N 3.43Å; S238-E241 WeakPolarHBondContact OG-CB 3.5Å; S238-E241 PolarHBondContact OG-N 3.38Å; S238-E241 VanDerWaalsContact OG-N 3.16Å; S238-L242 PolarHBondContact O-N 3.21Å
239	Y	97.4	Very high	97.2	Very high	54 Å²	54	52.1 Å²	52.1	21%	0.212	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-32.6	175.4	-63.4	-16.4	0	0	0	113.1	S214 T215 I216 L235 L242 N243 E286	S214-Y239 WeakPolarHBondContact OG-CE2 3.17Å; T215-Y239 PolarHBondContact N-OH 3.44Å; T215-Y239 VanDerWaalsContact N-OH 3.14Å; I216-Y239 HydrophobicContact CD1-CD1 4.46Å; I216-Y239 HydrophobicContact CD1-CG 4.32Å; I216-Y239 HydrophobicContact CG1-CD1 4.01Å; I216-Y239 HydrophobicContact CG1-CD2 4.03Å; I216-Y239 HydrophobicContact CG1-CG 3.7Å; L235-Y239 HydrophobicContact CD1-CE1 4.4Å; Y239-L242 PolarHBondContact O-N 3.23Å; Y239-N243 WeakPolarHBondContact O-CB 3.22Å; Y239-N243 PolarHBondContact O-N 2.97Å; Y239-N243 PolarHBondContact O-ND2 2.83Å; Y239-E286 HydrophobicContact CE1-CG 4.43Å; Y239-E286 WeakPolarHBondContact CE1-OE1 3.4Å; Y239-E286 VanDerWaalsContact CZ-OE1 3.29Å; Y239-E286 PolarHBondContact OH-OE1 3.16Å
240	T	97.5	Very high	97.5	Very high	99 Å²	99	48.6 Å²	48.6	61%	0.607	25%	0.253	S	S	*	.	H	α-helix	trans	-62.2	-46.5	172.7	-55.2	0	0	0	0	110.9	S238 N243 N244	S238-T240 VanDerWaalsContact C-N 3.27Å; S238-T240 PolarHBondContact O-N 2.9Å; T240-N243 PolarHBondContact O-N 3.07Å; T240-N244 PolarHBondContact O-N 3.47Å; T240-N244 PolarHBondContact O-ND2 2.94Å
241	E	98.4	Very high	97.6	Very high	75 Å²	75	47.3 Å²	47.3	35%	0.35	25%	0.25	S	S	.	.	H	α-helix	trans	-65.5	-43	178.4	176.9	60.9	-168.6	0	0	111.7	V237 S238 N244 R245	V237-E241 HydrophobicContact CB-CG 4.35Å; S238-E241 PolarHBondContact O-N 3.43Å; S238-E241 WeakPolarHBondContact OG-CB 3.5Å; S238-E241 PolarHBondContact OG-N 3.38Å; S238-E241 VanDerWaalsContact OG-N 3.16Å; E241-N244 PolarHBondContact O-N 3.17Å; E241-R245 WeakPolarHBondContact O-CG 3.47Å; E241-R245 PolarHBondContact O-N 3.25Å; E241-R245 IonicContact OE1-CZ 2.75Å; E241-R245 IonicContact OE1-NE 2.75Å; E241-R245 PolarHBondContact OE1-NE 3.02Å; E241-R245 IonicContact OE1-NH2 2.62Å; E241-R245 PolarHBondContact OE1-NH2 3.1Å
242	L	98.4	Very high	97.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.1	-49.2	174.7	-179.8	56.6	0	0	0	111.3	I216 V237 S238 Y239 N244 R245 L246 L268 L287	I216-L242 HydrophobicContact CD1-CD2 4.07Å; I216-L242 HydrophobicContact CD1-CG 4.48Å; V237-L242 HydrophobicContact CG2-CB 3.91Å; S238-L242 PolarHBondContact O-N 3.21Å; Y239-L242 PolarHBondContact O-N 3.23Å; L242-N244 VanDerWaalsContact C-N 3.3Å; L242-N244 PolarHBondContact O-N 3.12Å; L242-R245 WeakPolarHBondContact O-CB 3.45Å; L242-R245 PolarHBondContact O-N 3.18Å; L242-R245 VanDerWaalsContact O-N 3.14Å; L242-L246 HydrophobicContact CD1-CD1 4.3Å; L242-L246 HydrophobicContact CD1-CG 4.23Å; L242-L246 HydrophobicContact CG-CD1 4.15Å; L242-L246 HydrophobicContact CG-CG 4.49Å; L242-L246 WeakPolarHBondContact O-CG 3.3Å; L242-L246 PolarHBondContact O-N 3.09Å; L242-L268 HydrophobicContact CD1-CD1 4Å; L242-L287 HydrophobicContact CD1-CD1 4.17Å; L242-L287 HydrophobicContact CD2-CD1 3.87Å
243	N	98	Very high	97.5	Very high	51 Å²	51	57.6 Å²	57.6	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-39.1	178	-83.2	-28.6	0	0	0	112.4	Y239 T240 L246 E247	Y239-N243 WeakPolarHBondContact O-CB 3.22Å; Y239-N243 PolarHBondContact O-N 2.97Å; Y239-N243 PolarHBondContact O-ND2 2.83Å; T240-N243 PolarHBondContact O-N 3.07Å; N243-L246 PolarHBondContact O-N 3.29Å; N243-E247 VanDerWaalsContact O-CB 3.31Å; N243-E247 WeakPolarHBondContact O-CB 3.07Å; N243-E247 PolarHBondContact O-N 3.28Å
244	N	98.5	Very high	97.5	Very high	79 Å²	79	54.9 Å²	54.9	42%	0.422	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-41.7	175.8	-69.5	-19.9	0	0	0	111.6	T240 E241 L242 E247 D248	T240-N244 PolarHBondContact O-N 3.47Å; T240-N244 PolarHBondContact O-ND2 2.94Å; E241-N244 PolarHBondContact O-N 3.17Å; L242-N244 VanDerWaalsContact C-N 3.3Å; L242-N244 PolarHBondContact O-N 3.12Å; N244-E247 PolarHBondContact O-N 3.16Å; N244-D248 WeakPolarHBondContact O-CB 3.32Å; N244-D248 PolarHBondContact O-N 3.39Å
245	R	98.3	Very high	97.4	Very high	56 Å²	56	60.1 Å²	60.1	21%	0.211	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-43.3	175.8	-67.6	170.6	-173	-166.3	5.8	112	E241 L242 D248 I249 P264 V265	E241-R245 WeakPolarHBondContact O-CG 3.47Å; E241-R245 PolarHBondContact O-N 3.25Å; E241-R245 IonicContact OE1-CZ 2.75Å; E241-R245 IonicContact OE1-NE 2.75Å; E241-R245 PolarHBondContact OE1-NE 3.02Å; E241-R245 IonicContact OE1-NH2 2.62Å; E241-R245 PolarHBondContact OE1-NH2 3.1Å; L242-R245 WeakPolarHBondContact O-CB 3.45Å; L242-R245 PolarHBondContact O-N 3.18Å; L242-R245 VanDerWaalsContact O-N 3.14Å; R245-D248 WeakPolarHBondContact O-CB 3.33Å; R245-D248 PolarHBondContact O-N 3.43Å; R245-I249 WeakPolarHBondContact O-CD1 3.45Å; R245-I249 VanDerWaalsContact O-CG1 3.24Å; R245-I249 WeakPolarHBondContact O-CG1 3.32Å; R245-I249 PolarHBondContact O-N 3.38Å; R245-I249 VanDerWaalsContact O-N 3.12Å; R245-P264 PolarHBondContact NH1-O 2.78Å; R245-V265 HydrophobicContact CB-CG2 4.17Å
246	L	98.7	Very high	97.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-42.1	177.5	-62.2	175.4	0	0	0	111.4	L242 N243 D248 I249 V250 V265 I291 F294 F307	L242-L246 HydrophobicContact CD1-CD1 4.3Å; L242-L246 HydrophobicContact CD1-CG 4.23Å; L242-L246 HydrophobicContact CG-CD1 4.15Å; L242-L246 HydrophobicContact CG-CG 4.49Å; L242-L246 WeakPolarHBondContact O-CG 3.3Å; L242-L246 PolarHBondContact O-N 3.09Å; N243-L246 PolarHBondContact O-N 3.29Å; L246-D248 PolarHBondContact O-N 2.92Å; L246-I249 PolarHBondContact O-N 3.49Å; L246-V250 PolarHBondContact O-N 3.17Å; L246-V250 VanDerWaalsContact O-N 3.08Å; L246-V265 HydrophobicContact CD2-CG2 4.42Å; L246-I291 HydrophobicContact CD1-CB 4.49Å; L246-I291 HydrophobicContact CD1-CG1 4.15Å; L246-I291 HydrophobicContact CD1-CG2 4.43Å; L246-I291 HydrophobicContact CD2-CG1 4.29Å; L246-I291 HydrophobicContact CD2-CG2 4.32Å; L246-F294 HydrophobicContact CB-CD1 4Å; L246-F294 HydrophobicContact CB-CD2 3.72Å; L246-F294 HydrophobicContact CB-CE1 3.94Å; L246-F294 HydrophobicContact CB-CE2 3.66Å; L246-F294 HydrophobicContact CB-CG 3.89Å; L246-F294 HydrophobicContact CB-CZ 3.79Å; L246-F294 HydrophobicContact CD1-CB 3.68Å; L246-F294 HydrophobicContact CD1-CD1 4.33Å; L246-F294 HydrophobicContact CD1-CD2 3.86Å; L246-F294 HydrophobicContact CD1-CG 3.68Å; L246-F294 HydrophobicContact CG-CD2 4.45Å; L246-F294 HydrophobicContact CG-CG 4.42Å; L246-F307 HydrophobicContact CB-CE2 4.28Å; L246-F307 HydrophobicContact CB-CZ 4.03Å; L246-F307 HydrophobicContact CD2-CD1 4.01Å; L246-F307 HydrophobicContact CD2-CE1 3.5Å; L246-F307 VanDerWaalsContact CD2-CE1 3.5Å; L246-F307 HydrophobicContact CD2-CE2 4.08Å; L246-F307 HydrophobicContact CD2-CZ 3.54Å; L246-F307 HydrophobicContact CG-CZ 4.37Å
247	E	98.3	Very high	97.5	Very high	28 Å²	28	69.3 Å²	69.3	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-42.4	175.8	-172.6	58.7	-127.9	0	0	112	N243 N244 I249 V250 S251 F294 K297 R299	N243-E247 VanDerWaalsContact O-CB 3.31Å; N243-E247 WeakPolarHBondContact O-CB 3.07Å; N243-E247 PolarHBondContact O-N 3.28Å; N244-E247 PolarHBondContact O-N 3.16Å; E247-I249 VanDerWaalsContact C-N 3.31Å; E247-I249 PolarHBondContact O-N 3.16Å; E247-V250 WeakPolarHBondContact O-CG2 3.49Å; E247-V250 PolarHBondContact O-N 3.33Å; E247-S251 WeakPolarHBondContact O-CB 3.45Å; E247-S251 PolarHBondContact O-N 2.93Å; E247-S251 PolarHBondContact O-OG 3.32Å; E247-S251 PolarHBondContact OE1-OG 3Å; E247-F294 HydrophobicContact CB-CE2 4.43Å; E247-F294 HydrophobicContact CB-CZ 4.37Å; E247-K297 PolarHBondContact OE2-N 3.39Å; E247-R299 IonicContact OE1-NE 3.68Å
248	D	98.1	Very high	97.5	Very high	82 Å²	82	70 Å²	70	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-41	175.5	-98.9	25.3	0	0	0	112.2	N244 R245 L246 E252 K261	N244-D248 WeakPolarHBondContact O-CB 3.32Å; N244-D248 PolarHBondContact O-N 3.39Å; R245-D248 WeakPolarHBondContact O-CB 3.33Å; R245-D248 PolarHBondContact O-N 3.43Å; L246-D248 PolarHBondContact O-N 2.92Å; D248-E252 PolarHBondContact O-N 3.23Å; D248-K261 HydrophobicContact CB-CD 4.33Å; D248-K261 WeakPolarHBondContact O-CD 3.33Å; D248-K261 IonicContact OD2-NZ 3.89Å; D248-K261 PolarHBondContact OD2-NZ 3.37Å
249	I	98.6	Very high	97.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67	-48.9	179.5	-71	161.9	0	0	0	111.1	R245 L246 E247 S251 E252 Q258 K261 F262 V265 F307	R245-I249 WeakPolarHBondContact O-CD1 3.45Å; R245-I249 VanDerWaalsContact O-CG1 3.24Å; R245-I249 WeakPolarHBondContact O-CG1 3.32Å; R245-I249 PolarHBondContact O-N 3.38Å; R245-I249 VanDerWaalsContact O-N 3.12Å; L246-I249 PolarHBondContact O-N 3.49Å; E247-I249 VanDerWaalsContact C-N 3.31Å; E247-I249 PolarHBondContact O-N 3.16Å; I249-S251 VanDerWaalsContact C-N 3.25Å; I249-S251 PolarHBondContact O-N 3.5Å; I249-E252 PolarHBondContact O-N 2.64Å; I249-Q258 HydrophobicContact CG2-CG 4.02Å; I249-Q258 PolarHBondContact O-NE2 3.41Å; I249-K261 HydrophobicContact CG1-CB 3.88Å; I249-F262 HydrophobicContact CD1-CD1 3.75Å; I249-F262 HydrophobicContact CD1-CE1 3.98Å; I249-F262 HydrophobicContact CD1-CG 4.14Å; I249-F262 HydrophobicContact CG1-CD1 4.48Å; I249-F262 HydrophobicContact CG1-CG 4.45Å; I249-F262 HydrophobicContact CG2-CD1 4.39Å; I249-F262 HydrophobicContact CG2-CD2 3.98Å; I249-F262 HydrophobicContact CG2-CE1 3.89Å; I249-F262 HydrophobicContact CG2-CE2 3.41Å; I249-F262 VanDerWaalsContact CG2-CE2 3.41Å; I249-F262 HydrophobicContact CG2-CG 4.43Å; I249-F262 HydrophobicContact CG2-CZ 3.37Å; I249-V265 HydrophobicContact CD1-CG2 3.76Å; I249-F307 HydrophobicContact CB-CE1 4.27Å; I249-F307 HydrophobicContact CB-CZ 4Å; I249-F307 HydrophobicContact CD1-CE1 3.97Å; I249-F307 HydrophobicContact CD1-CZ 4.36Å; I249-F307 HydrophobicContact CG2-CE1 3.78Å; I249-F307 HydrophobicContact CG2-CZ 3.75Å
250	V	98.2	Very high	97.4	Very high	16 Å²	16	76 Å²	76	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-72.3	-22	-179	-60.5	0	0	0	0	112.7	L246 E247 F294 P296 I306 F307	L246-V250 PolarHBondContact O-N 3.17Å; L246-V250 VanDerWaalsContact O-N 3.08Å; E247-V250 WeakPolarHBondContact O-CG2 3.49Å; E247-V250 PolarHBondContact O-N 3.33Å; V250-F294 HydrophobicContact CG1-CE1 3.99Å; V250-F294 HydrophobicContact CG2-CE1 4.14Å; V250-F294 HydrophobicContact CG2-CZ 4.04Å; V250-P296 HydrophobicContact CG2-CB 4.3Å; V250-I306 HydrophobicContact CG1-CG2 4.28Å; V250-F307 HydrophobicContact CG1-CE2 3.52Å; V250-F307 HydrophobicContact CG1-CZ 3.85Å
251	S	96.9	Very high	97.5	Very high	41 Å²	41	74.2 Å²	74.2	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-81	-17.4	175.8	-71.6	0	0	0	0	114	E247 I249 R299	E247-S251 WeakPolarHBondContact O-CB 3.45Å; E247-S251 PolarHBondContact O-N 2.93Å; E247-S251 PolarHBondContact O-OG 3.32Å; E247-S251 PolarHBondContact OE1-OG 3Å; I249-S251 VanDerWaalsContact C-N 3.25Å; I249-S251 PolarHBondContact O-N 3.5Å; S251-R299 PolarHBondContact OG-NE 3.08Å; S251-R299 VanDerWaalsContact OG-NE 3.09Å; S251-R299 PolarHBondContact OG-NH2 3.1Å
252	E	97.3	Very high	97.5	Very high	41 Å²	41	71.4 Å²	71.4	19%	0.192	34%	0.34	C	S	.	.			trans	-79.5	129.2	-178.5	-177.6	53.8	-106.2	0	0	111.9	D248 I249 S254 R257 Q258 K261	D248-E252 PolarHBondContact O-N 3.23Å; I249-E252 PolarHBondContact O-N 2.64Å; E252-S254 WeakPolarHBondContact CG-O 3.28Å; E252-S254 PolarHBondContact OE1-N 2.89Å; E252-R257 VanDerWaalsContact CD-CB 3.42Å; E252-R257 HydrophobicContact CG-CB 3.67Å; E252-R257 WeakPolarHBondContact OE2-CB 3.5Å; E252-Q258 HydrophobicContact CB-CB 4.12Å; E252-Q258 HydrophobicContact CB-CG 4.46Å; E252-Q258 HydrophobicContact CG-CB 3.84Å; E252-Q258 VanDerWaalsContact CG-N 3.34Å; E252-K261 HydrophobicContact CB-CD 3.77Å; E252-K261 HydrophobicContact CG-CD 4.08Å
253	K	94.5	Very high	97.4	Very high	201 Å²	201	73.4 Å²	73.4	87%	0.874	36%	0.357	S	S	*	.			trans	-92.2	-31	-176.6	-63.3	-176.8	179.6	-178.8	0	112.4
254	S	96.9	Very high	97.4	Very high	43 Å²	43	73 Å²	73	30%	0.301	36%	0.357	S	S	.	.			trans	-83	121.6	177.8	168.9	0	0	0	0	110.2	E252 E256 R257 Q258	E252-S254 WeakPolarHBondContact CG-O 3.28Å; E252-S254 PolarHBondContact OE1-N 2.89Å; S254-E256 PolarHBondContact O-N 3.38Å; S254-E256 PolarHBondContact OG-N 3.34Å; S254-R257 PolarHBondContact O-N 3.28Å; S254-R257 VanDerWaalsContact O-N 3.17Å; S254-R257 PolarHBondContact OG-N 3.44Å; S254-Q258 VanDerWaalsContact O-CB 3.29Å; S254-Q258 WeakPolarHBondContact O-CB 3.19Å; S254-Q258 PolarHBondContact O-N 3.34Å
255	K	94.3	Very high	97.4	Very high	180 Å²	180	69.3 Å²	69.3	78%	0.783	34%	0.337	S	S	*	.	H	α-helix	trans	-55.7	-37.5	176.3	-69	-173.9	177.2	-178	0	112.7	Q258 L259	K255-Q258 PolarHBondContact O-N 2.97Å; K255-L259 PolarHBondContact O-N 3.21Å
256	E	96	Very high	97.4	Very high	158 Å²	158	69.1 Å²	69.1	74%	0.738	34%	0.341	S	S	*	.	H	α-helix	trans	-66.1	-46.4	178.4	-65.7	176.1	-179.8	0	0	111.6	S254 Q258 L259 I260	S254-E256 PolarHBondContact O-N 3.38Å; S254-E256 PolarHBondContact OG-N 3.34Å; E256-Q258 VanDerWaalsContact C-N 3.33Å; E256-L259 PolarHBondContact O-N 2.97Å; E256-I260 PolarHBondContact O-N 2.93Å
257	R	97.7	Very high	97.4	Very high	162 Å²	162	75.2 Å²	75.2	61%	0.611	37%	0.369	S	S	*	.	H	α-helix	trans	-70.1	-32.8	177.1	-66.3	-175.5	178.9	-166.4	-0.8	112.1	E252 S254 L259 I260 K261	E252-R257 VanDerWaalsContact CD-CB 3.42Å; E252-R257 HydrophobicContact CG-CB 3.67Å; E252-R257 WeakPolarHBondContact OE2-CB 3.5Å; S254-R257 PolarHBondContact O-N 3.28Å; S254-R257 VanDerWaalsContact O-N 3.17Å; S254-R257 PolarHBondContact OG-N 3.44Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 2.91Å; R257-I260 WeakPolarHBondContact O-CB 3.45Å; R257-I260 PolarHBondContact O-N 3.4Å; R257-K261 WeakPolarHBondContact O-CG 3.15Å; R257-K261 PolarHBondContact O-N 2.97Å
258	Q	97.8	Very high	97.4	Very high	37 Å²	37	74.1 Å²	74.1	17%	0.173	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-40.7	176.5	-172.4	177.2	61.2	0	0	110.2	I249 E252 S254 K255 E256 I260 K261 F262 I306	I249-Q258 HydrophobicContact CG2-CG 4.02Å; I249-Q258 PolarHBondContact O-NE2 3.41Å; E252-Q258 HydrophobicContact CB-CB 4.12Å; E252-Q258 HydrophobicContact CB-CG 4.46Å; E252-Q258 HydrophobicContact CG-CB 3.84Å; E252-Q258 VanDerWaalsContact CG-N 3.34Å; S254-Q258 VanDerWaalsContact O-CB 3.29Å; S254-Q258 WeakPolarHBondContact O-CB 3.19Å; S254-Q258 PolarHBondContact O-N 3.34Å; K255-Q258 PolarHBondContact O-N 2.97Å; E256-Q258 VanDerWaalsContact C-N 3.33Å; Q258-I260 VanDerWaalsContact C-N 3.33Å; Q258-I260 PolarHBondContact O-N 2.7Å; Q258-K261 CarbonylContact O-C 3.57Å; Q258-K261 PolarHBondContact O-N 3.29Å; Q258-K261 VanDerWaalsContact O-N 3.15Å; Q258-F262 HydrophobicContact CG-CD2 4.11Å; Q258-F262 HydrophobicContact CG-CE2 3.9Å; Q258-F262 VanDerWaalsContact O-CD2 3.27Å; Q258-F262 WeakPolarHBondContact O-CD2 3.37Å; Q258-F262 PolarHBondContact O-N 2.97Å; Q258-I306 HydrophobicContact CG-CD1 4.33Å
259	L	96	Very high	97.4	Very high	121 Å²	121	71.2 Å²	71.2	63%	0.634	35%	0.349	S	S	*	.	H	α-helix	trans	-61.6	-40	174.3	-171.1	65.7	0	0	0	112.2	K255 E256 R257 K261 F262 A263	K255-L259 PolarHBondContact O-N 3.21Å; E256-L259 PolarHBondContact O-N 2.97Å; R257-L259 VanDerWaalsContact C-N 3.3Å; R257-L259 PolarHBondContact O-N 2.91Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-K261 PolarHBondContact O-N 3.12Å; L259-F262 WeakPolarHBondContact O-CB 3.46Å; L259-F262 PolarHBondContact O-N 3.22Å; L259-A263 PolarHBondContact O-N 3.49Å
260	I	97.8	Very high	97.4	Very high	125 Å²	125	74.7 Å²	74.7	64%	0.641	37%	0.37	S	S	*	.	H	α-helix	trans	-62.1	-42.5	174	-63.9	169	0	0	0	110.6	E256 R257 Q258 F262 A263	E256-I260 PolarHBondContact O-N 2.93Å; R257-I260 WeakPolarHBondContact O-CB 3.45Å; R257-I260 PolarHBondContact O-N 3.4Å; Q258-I260 VanDerWaalsContact C-N 3.33Å; Q258-I260 PolarHBondContact O-N 2.7Å; I260-F262 PolarHBondContact O-N 3Å; I260-A263 WeakPolarHBondContact O-CB 3.43Å; I260-A263 PolarHBondContact O-N 2.97Å
261	K	98.1	Very high	97.4	Very high	63 Å²	63	76 Å²	76	27%	0.274	38%	0.379	S	S	.	.	H	α-helix	trans	-68.5	-21.6	177.5	-73	174.4	170.6	-76.4	0	113.5	D248 I249 E252 R257 Q258 L259 P264	D248-K261 HydrophobicContact CB-CD 4.33Å; D248-K261 WeakPolarHBondContact O-CD 3.33Å; D248-K261 IonicContact OD2-NZ 3.89Å; D248-K261 PolarHBondContact OD2-NZ 3.37Å; I249-K261 HydrophobicContact CG1-CB 3.88Å; E252-K261 HydrophobicContact CB-CD 3.77Å; E252-K261 HydrophobicContact CG-CD 4.08Å; R257-K261 WeakPolarHBondContact O-CG 3.15Å; R257-K261 PolarHBondContact O-N 2.97Å; Q258-K261 CarbonylContact O-C 3.57Å; Q258-K261 PolarHBondContact O-N 3.29Å; Q258-K261 VanDerWaalsContact O-N 3.15Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-K261 PolarHBondContact O-N 3.12Å; K261-P264 WeakPolarHBondContact O-CD 3.35Å
262	F	98.2	Very high	97.5	Very high	15 Å²	15	74 Å²	74	7%	0.066	37%	0.365	C	S	.	.	H	α-helix	trans	-72	-27.3	171.8	-93.1	-69.4	0	0	0	113.4	I249 Q258 L259 I260 V265 D266 I306 F307 K310	I249-F262 HydrophobicContact CD1-CD1 3.75Å; I249-F262 HydrophobicContact CD1-CE1 3.98Å; I249-F262 HydrophobicContact CD1-CG 4.14Å; I249-F262 HydrophobicContact CG1-CD1 4.48Å; I249-F262 HydrophobicContact CG1-CG 4.45Å; I249-F262 HydrophobicContact CG2-CD1 4.39Å; I249-F262 HydrophobicContact CG2-CD2 3.98Å; I249-F262 HydrophobicContact CG2-CE1 3.89Å; I249-F262 HydrophobicContact CG2-CE2 3.41Å; I249-F262 VanDerWaalsContact CG2-CE2 3.41Å; I249-F262 HydrophobicContact CG2-CG 4.43Å; I249-F262 HydrophobicContact CG2-CZ 3.37Å; Q258-F262 HydrophobicContact CG-CD2 4.11Å; Q258-F262 HydrophobicContact CG-CE2 3.9Å; Q258-F262 VanDerWaalsContact O-CD2 3.27Å; Q258-F262 WeakPolarHBondContact O-CD2 3.37Å; Q258-F262 PolarHBondContact O-N 2.97Å; L259-F262 WeakPolarHBondContact O-CB 3.46Å; L259-F262 PolarHBondContact O-N 3.22Å; I260-F262 PolarHBondContact O-N 3Å; F262-V265 WeakPolarHBondContact O-CA 3.36Å; F262-V265 WeakPolarHBondContact O-CB 3.02Å; F262-V265 PolarHBondContact O-N 3.46Å; F262-D266 PolarHBondContact O-N 3.49Å; F262-I306 HydrophobicContact CE2-CD1 3.7Å; F262-I306 HydrophobicContact CE2-CG1 4.17Å; F262-I306 HydrophobicContact CZ-CD1 3.89Å; F262-I306 HydrophobicContact CZ-CG1 3.9Å; F262-I306 HydrophobicContact CZ-CG2 4.25Å; F262-F307 AromaticContact CE1-CD1 3.79Å; F262-F307 HydrophobicContact CE1-CD1 3.79Å; F262-F307 AromaticContact CE1-CE1 3.56Å; F262-F307 HydrophobicContact CE1-CE1 3.56Å; F262-F307 HydrophobicContact CZ-CD1 4.15Å; F262-F307 AromaticContact CZ-CE1 3.86Å; F262-F307 HydrophobicContact CZ-CE1 3.86Å; F262-K310 HydrophobicContact CD1-CD 4.34Å; F262-K310 VanDerWaalsContact CD1-CE 3.47Å; F262-K310 HydrophobicContact CE1-CD 4.05Å; F262-K310 VanDerWaalsContact CE1-CE 3.41Å
263	A	98	Very high	97.5	Very high	43 Å²	43	74.9 Å²	74.9	36%	0.355	37%	0.369	S	S	.	.	H	α-helix	trans	-52.2	-44.9	-172.9	0	0	0	0	0	113.9	L259 I260 V265 D266 E267	L259-A263 PolarHBondContact O-N 3.49Å; I260-A263 WeakPolarHBondContact O-CB 3.43Å; I260-A263 PolarHBondContact O-N 2.97Å; A263-V265 VanDerWaalsContact C-N 3.26Å; A263-V265 PolarHBondContact O-N 3.27Å; A263-D266 PolarHBondContact O-N 2.9Å; A263-E267 WeakPolarHBondContact O-CG 3.48Å; A263-E267 PolarHBondContact O-N 3.44Å
264	P	97.6	Very high	97.7	Very high	43 Å²	43	71.1 Å²	71.1	28%	0.279	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-24.5	176.6	-22.3	35.1	0	0	0	114.5	R245 K261 L268	R245-P264 PolarHBondContact NH1-O 2.78Å; K261-P264 WeakPolarHBondContact O-CD 3.35Å; P264-L268 WeakPolarHBondContact O-CG 3.34Å
265	V	98.2	Very high	97.8	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-81.1	-37.8	174.1	177.2	0	0	0	0	110.2	R245 L246 I249 F262 A263 E267 L268 I269	R245-V265 HydrophobicContact CB-CG2 4.17Å; L246-V265 HydrophobicContact CD2-CG2 4.42Å; I249-V265 HydrophobicContact CD1-CG2 3.76Å; F262-V265 WeakPolarHBondContact O-CA 3.36Å; F262-V265 WeakPolarHBondContact O-CB 3.02Å; F262-V265 PolarHBondContact O-N 3.46Å; A263-V265 VanDerWaalsContact C-N 3.26Å; A263-V265 PolarHBondContact O-N 3.27Å; V265-E267 VanDerWaalsContact C-N 3.29Å; V265-E267 PolarHBondContact O-N 2.89Å; V265-L268 WeakPolarHBondContact O-CB 3.27Å; V265-L268 PolarHBondContact O-N 2.86Å; V265-L268 VanDerWaalsContact O-N 3.09Å; V265-I269 HydrophobicContact CG1-CD1 4.48Å; V265-I269 WeakPolarHBondContact O-CG1 3.36Å; V265-I269 PolarHBondContact O-N 2.9Å; V265-I269 VanDerWaalsContact O-N 3.09Å
266	D	98.2	Very high	97.9	Very high	53 Å²	53	61.2 Å²	61.2	28%	0.283	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-32.5	175	-72	-28.5	0	0	0	112.7	F262 A263 I269 T270 K310	F262-D266 PolarHBondContact O-N 3.49Å; A263-D266 PolarHBondContact O-N 2.9Å; D266-I269 PolarHBondContact O-N 3.28Å; D266-T270 PolarHBondContact O-N 3.02Å; D266-T270 PolarHBondContact O-OG1 2.82Å; D266-K310 IonicContact OD1-NZ 2.97Å; D266-K310 PolarHBondContact OD1-NZ 3.12Å; D266-K310 IonicContact OD2-NZ 2.97Å
267	E	98.2	Very high	98	Very high	127 Å²	127	60.3 Å²	60.3	59%	0.593	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-41.4	169.4	-73.9	175.9	-173.8	0	0	111.9	A263 V265 I269 T270 C271	A263-E267 WeakPolarHBondContact O-CG 3.48Å; A263-E267 PolarHBondContact O-N 3.44Å; V265-E267 VanDerWaalsContact C-N 3.29Å; V265-E267 PolarHBondContact O-N 2.89Å; E267-I269 VanDerWaalsContact C-N 3.32Å; E267-I269 PolarHBondContact O-N 3.32Å; E267-T270 WeakPolarHBondContact O-CB 3.28Å; E267-T270 PolarHBondContact O-N 3.44Å; E267-C271 PolarHBondContact O-N 3.09Å; E267-C271 PolarHBondContact O-SG 2.96Å
268	L	98.6	Very high	97.9	Very high	5 Å²	5	57.6 Å²	57.6	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-41	174.5	-54.8	179.3	0	0	0	111.3	N236 V237 L242 P264 V265 T270 C271 V272 L287	N236-L268 WeakPolarHBondContact OD1-CD2 3.38Å; V237-L268 HydrophobicContact CG1-CD1 4.07Å; V237-L268 HydrophobicContact CG1-CD2 3.44Å; V237-L268 VanDerWaalsContact CG1-CD2 3.44Å; V237-L268 HydrophobicContact CG1-CG 4.37Å; V237-L268 HydrophobicContact CG2-CD1 4.1Å; L242-L268 HydrophobicContact CD1-CD1 4Å; P264-L268 WeakPolarHBondContact O-CG 3.34Å; V265-L268 WeakPolarHBondContact O-CB 3.27Å; V265-L268 PolarHBondContact O-N 2.86Å; V265-L268 VanDerWaalsContact O-N 3.09Å; L268-T270 VanDerWaalsContact C-N 3.27Å; L268-T270 PolarHBondContact O-N 3.41Å; L268-C271 WeakPolarHBondContact O-CB 3.11Å; L268-C271 PolarHBondContact O-N 3.11Å; L268-V272 WeakPolarHBondContact O-CG2 3.4Å; L268-V272 PolarHBondContact O-N 2.97Å; L268-L287 HydrophobicContact CB-CD1 4.44Å; L268-L287 HydrophobicContact CB-CD2 3.74Å; L268-L287 HydrophobicContact CD1-CD1 4.02Å
269	I	98.6	Very high	97.9	Very high	22 Å²	22	57 Å²	57	11%	0.113	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-37.3	178.1	-64.8	171.8	0	0	0	110.6	V265 D266 E267 V272 Q273 L287 K310 L314	V265-I269 HydrophobicContact CG1-CD1 4.48Å; V265-I269 WeakPolarHBondContact O-CG1 3.36Å; V265-I269 PolarHBondContact O-N 2.9Å; V265-I269 VanDerWaalsContact O-N 3.09Å; D266-I269 PolarHBondContact O-N 3.28Å; E267-I269 VanDerWaalsContact C-N 3.32Å; E267-I269 PolarHBondContact O-N 3.32Å; I269-V272 WeakPolarHBondContact O-CB 3.47Å; I269-V272 PolarHBondContact O-N 3.38Å; I269-Q273 WeakPolarHBondContact O-CG 3.23Å; I269-Q273 PolarHBondContact O-N 3.48Å; I269-L287 HydrophobicContact CG1-CD2 4.12Å; I269-K310 HydrophobicContact CD1-CB 4.09Å; I269-K310 HydrophobicContact CD1-CD 3.72Å; I269-K310 HydrophobicContact CD1-CG 3.9Å; I269-L314 HydrophobicContact CG1-CD1 4.3Å; I269-L314 HydrophobicContact CG1-CD2 4.26Å; I269-L314 HydrophobicContact CG2-CD2 4.45Å
270	T	98.4	Very high	98	Very high	72 Å²	72	51.6 Å²	51.6	44%	0.442	28%	0.276	S	S	.	.	H	α-helix	trans	-65.7	-43.9	174.8	-60.4	0	0	0	0	111.1	D266 E267 L268 V272 Q273 F274	D266-T270 PolarHBondContact O-N 3.02Å; D266-T270 PolarHBondContact O-OG1 2.82Å; E267-T270 WeakPolarHBondContact O-CB 3.28Å; E267-T270 PolarHBondContact O-N 3.44Å; L268-T270 VanDerWaalsContact C-N 3.27Å; L268-T270 PolarHBondContact O-N 3.41Å; T270-V272 VanDerWaalsContact C-N 3.28Å; T270-V272 PolarHBondContact O-N 3.44Å; T270-Q273 PolarHBondContact O-N 3.21Å; T270-Q273 VanDerWaalsContact O-N 3.11Å; T270-F274 HydrophobicContact CG2-CD2 4.4Å; T270-F274 HydrophobicContact CG2-CE2 3.72Å; T270-F274 HydrophobicContact CG2-CZ 4.06Å; T270-F274 WeakPolarHBondContact O-CD2 3.28Å; T270-F274 PolarHBondContact O-N 3.38Å
271	C	98.4	Very high	98	Very high	44 Å²	44	47.1 Å²	47.1	30%	0.297	25%	0.252	S	S	.	.	H	α-helix	trans	-58.2	-41.2	171.9	-69.6	0	0	0	0	112.2	E267 L268 Q273 F274 A275 Q283	E267-C271 PolarHBondContact O-N 3.09Å; E267-C271 PolarHBondContact O-SG 2.96Å; L268-C271 WeakPolarHBondContact O-CB 3.11Å; L268-C271 PolarHBondContact O-N 3.11Å; C271-Q273 VanDerWaalsContact C-N 3.31Å; C271-Q273 PolarHBondContact O-N 2.99Å; C271-F274 PolarHBondContact O-N 3.2Å; C271-A275 PolarHBondContact O-N 3.23Å; C271-Q283 PolarHBondContact O-OE1 3.06Å
272	V	98.6	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-37.5	174.9	164.9	0	0	0	0	111.8	L268 I269 T270 A275 N276 Q283 L287 L314	L268-V272 WeakPolarHBondContact O-CG2 3.4Å; L268-V272 PolarHBondContact O-N 2.97Å; I269-V272 WeakPolarHBondContact O-CB 3.47Å; I269-V272 PolarHBondContact O-N 3.38Å; T270-V272 VanDerWaalsContact C-N 3.28Å; T270-V272 PolarHBondContact O-N 3.44Å; V272-A275 PolarHBondContact O-N 3.14Å; V272-N276 WeakPolarHBondContact O-CB 3.16Å; V272-N276 PolarHBondContact O-N 3.13Å; V272-N276 PolarHBondContact O-ND2 3.43Å; V272-Q283 HydrophobicContact CG2-CB 4.45Å; V272-Q283 HydrophobicContact CG2-CG 4.02Å; V272-L287 HydrophobicContact CG2-CB 4.36Å; V272-L287 HydrophobicContact CG2-CD2 3.88Å; V272-L314 HydrophobicContact CB-CD2 4.19Å; V272-L314 HydrophobicContact CG1-CD2 3.73Å; V272-L314 HydrophobicContact CG2-CD2 4.29Å
273	Q	98.2	Very high	98	Very high	59 Å²	59	43.9 Å²	43.9	28%	0.276	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-43.6	176	-62.2	-43.2	-56.8	0	0	111.4	I269 T270 C271 A275 N276 D277 H313	I269-Q273 WeakPolarHBondContact O-CG 3.23Å; I269-Q273 PolarHBondContact O-N 3.48Å; T270-Q273 PolarHBondContact O-N 3.21Å; T270-Q273 VanDerWaalsContact O-N 3.11Å; C271-Q273 VanDerWaalsContact C-N 3.31Å; C271-Q273 PolarHBondContact O-N 2.99Å; Q273-A275 VanDerWaalsContact C-N 3.32Å; Q273-A275 PolarHBondContact O-N 3.1Å; Q273-N276 WeakPolarHBondContact O-CB 3.28Å; Q273-N276 PolarHBondContact O-N 3.35Å; Q273-D277 PolarHBondContact O-N 3.43Å; Q273-H313 PolarHBondContact NE2-NE2 3.31Å
274	F	98.1	Very high	98	Very high	121 Å²	121	41.9 Å²	41.9	53%	0.531	22%	0.221	S	C	.	.	H	α-helix	trans	-61.7	-40.9	173.5	-61.1	-44.4	0	0	0	112.2	T270 C271 D277 E278	T270-F274 HydrophobicContact CG2-CD2 4.4Å; T270-F274 HydrophobicContact CG2-CE2 3.72Å; T270-F274 HydrophobicContact CG2-CZ 4.06Å; T270-F274 WeakPolarHBondContact O-CD2 3.28Å; T270-F274 PolarHBondContact O-N 3.38Å; C271-F274 PolarHBondContact O-N 3.2Å; F274-D277 PolarHBondContact O-N 3.06Å; F274-E278 WeakPolarHBondContact O-CG 3.32Å; F274-E278 PolarHBondContact O-N 3.37Å; F274-E278 VanDerWaalsContact O-N 3.11Å
275	A	98.1	Very high	98.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-42.5	175.4	0	0	0	0	0	111.7	C271 V272 Q273 D277 E278 G279 D280 Q283	C271-A275 PolarHBondContact O-N 3.23Å; V272-A275 PolarHBondContact O-N 3.14Å; Q273-A275 VanDerWaalsContact C-N 3.32Å; Q273-A275 PolarHBondContact O-N 3.1Å; A275-D277 PolarHBondContact O-N 3.4Å; A275-E278 CarbonylContact O-C 3.57Å; A275-E278 PolarHBondContact O-N 3.1Å; A275-E278 VanDerWaalsContact O-N 3.13Å; A275-G279 PolarHBondContact O-N 2.95Å; A275-D280 HydrophobicContact CB-CB 3.96Å; A275-D280 WeakPolarHBondContact O-CA 3.28Å; A275-D280 PolarHBondContact O-N 2.66Å; A275-Q283 HydrophobicContact CB-CB 4.11Å; A275-Q283 VanDerWaalsContact CB-OE1 3.25Å
276	N	98	Very high	98.1	Very high	16 Å²	16	40.1 Å²	40.1	9%	0.086	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-43.9	175.9	-71.8	-19.9	0	0	0	112	V272 Q273 E278 G279 F281 L321	V272-N276 WeakPolarHBondContact O-CB 3.16Å; V272-N276 PolarHBondContact O-N 3.13Å; V272-N276 PolarHBondContact O-ND2 3.43Å; Q273-N276 WeakPolarHBondContact O-CB 3.28Å; Q273-N276 PolarHBondContact O-N 3.35Å; N276-E278 PolarHBondContact O-N 2.86Å; N276-G279 PolarHBondContact O-N 3.45Å; N276-F281 WeakPolarHBondContact OD1-CA 3.23Å; N276-L321 HydrophobicContact CB-CD1 3.77Å
277	D	97	Very high	98.1	Very high	139 Å²	139	37.6 Å²	37.6	74%	0.743	20%	0.195	S	C	*	.	H	α-helix	trans	-62.7	-30.6	176.7	-69.9	-21.6	0	0	0	112.1	Q273 F274 A275 G279	Q273-D277 PolarHBondContact O-N 3.43Å; F274-D277 PolarHBondContact O-N 3.06Å; A275-D277 PolarHBondContact O-N 3.4Å; D277-G279 VanDerWaalsContact C-N 3.32Å
278	E	96.6	Very high	98.1	Very high	104 Å²	104	31.5 Å²	31.5	49%	0.486	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.1	175.2	-67.5	174.7	179.8	0	0	113.2	I230 R233 F274 A275 N276	I230-E278 WeakPolarHBondContact CG2-O 3.4Å; R233-E278 IonicContact CZ-OE2 2.94Å; R233-E278 IonicContact NH1-OE2 2.7Å; R233-E278 PolarHBondContact NH1-OE2 2.78Å; R233-E278 IonicContact NH2-OE2 3.74Å; R233-E278 PolarHBondContact NH2-OE2 3.02Å; F274-E278 WeakPolarHBondContact O-CG 3.32Å; F274-E278 PolarHBondContact O-N 3.37Å; F274-E278 VanDerWaalsContact O-N 3.11Å; A275-E278 CarbonylContact O-C 3.57Å; A275-E278 PolarHBondContact O-N 3.1Å; A275-E278 VanDerWaalsContact O-N 3.13Å; N276-E278 PolarHBondContact O-N 2.86Å
279	G	96.1	Very high	98.1	Very high	25 Å²	25	31.6 Å²	31.6	26%	0.258	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	3	-179.2	0	0	0	0	0	115.2	G231 A275 N276 D277 F281	G231-G279 WeakPolarHBondContact CA-O 3.23Å; A275-G279 PolarHBondContact O-N 2.95Å; N276-G279 PolarHBondContact O-N 3.45Å; D277-G279 VanDerWaalsContact C-N 3.32Å; G279-F281 WeakPolarHBondContact O-CD1 3.34Å; G279-F281 PolarHBondContact O-N 3.2Å; G279-F281 VanDerWaalsContact O-N 3.1Å
280	D	98.1	Very high	98.1	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.043	16%	0.162	C	C	.	.			trans	-85.8	50.6	179.4	-72.1	-31.8	0	0	0	112.7	G231 Y232 R233 A275 G282 Q283	G231-D280 PolarHBondContact N-OD1 3.05Å; G231-D280 CarbonylContact O-C 3.59Å; Y232-D280 PolarHBondContact N-OD1 3.41Å; R233-D280 HydrophobicContact CB-CB 4.08Å; R233-D280 IonicContact CZ-OD2 3Å; R233-D280 IonicContact NE-OD2 3.76Å; R233-D280 PolarHBondContact NE-OD2 2.96Å; R233-D280 IonicContact NH2-OD2 3.24Å; R233-D280 PolarHBondContact NH2-OD2 3.38Å; A275-D280 HydrophobicContact CB-CB 3.96Å; A275-D280 WeakPolarHBondContact O-CA 3.28Å; A275-D280 PolarHBondContact O-N 2.66Å; D280-G282 PolarHBondContact O-N 3.34Å; D280-G282 VanDerWaalsContact O-N 3.07Å; D280-Q283 PolarHBondContact O-N 2.79Å; D280-Q283 VanDerWaalsContact O-N 3.14Å
281	F	97.7	Very high	98.1	Very high	31 Å²	31	27.1 Å²	27.1	14%	0.136	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.2	-176.1	54.8	-99.3	0	0	0	114.4	I223 G231 N276 G279 Q283 G284 L285 L321 A322	I223-F281 HydrophobicContact CB-CE2 4.33Å; I223-F281 HydrophobicContact CD1-CD2 4.3Å; I223-F281 HydrophobicContact CD1-CE2 3.83Å; I223-F281 HydrophobicContact CG2-CE2 4.43Å; G231-F281 PolarHBondContact O-N 3.5Å; N276-F281 WeakPolarHBondContact OD1-CA 3.23Å; G279-F281 WeakPolarHBondContact O-CD1 3.34Å; G279-F281 PolarHBondContact O-N 3.2Å; G279-F281 VanDerWaalsContact O-N 3.1Å; F281-Q283 PolarHBondContact O-N 2.76Å; F281-G284 PolarHBondContact O-N 3.34Å; F281-G284 VanDerWaalsContact O-N 3.09Å; F281-L285 HydrophobicContact CD2-CD1 4.29Å; F281-L285 PolarHBondContact O-N 3.13Å; F281-L321 HydrophobicContact CB-CB 3.62Å; F281-L321 HydrophobicContact CB-CD1 3.82Å; F281-L321 HydrophobicContact CB-CG 4.38Å; F281-L321 HydrophobicContact CD1-CB 3.9Å; F281-L321 HydrophobicContact CG-CB 3.82Å; F281-A322 HydrophobicContact CD2-CB 3.76Å; F281-A322 HydrophobicContact CE2-CB 3.48Å; F281-A322 VanDerWaalsContact CE2-CB 3.48Å; F281-A322 HydrophobicContact CZ-CB 4.19Å
282	G	98.4	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-27.3	175	0	0	0	0	0	114	I223 G231 D280 G284 L285 E286	I223-G282 VanDerWaalsContact CD1-CA 3.46Å; G231-G282 WeakPolarHBondContact O-CA 3.21Å; G231-G282 PolarHBondContact O-N 2.98Å; D280-G282 PolarHBondContact O-N 3.34Å; D280-G282 VanDerWaalsContact O-N 3.07Å; G282-G284 VanDerWaalsContact C-N 3.35Å; G282-L285 PolarHBondContact O-N 2.68Å; G282-E286 WeakPolarHBondContact O-CB 3.41Å; G282-E286 PolarHBondContact O-N 3.46Å
283	Q	98.5	Very high	98.1	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.047	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-40.7	175.1	-165.4	-180	65.1	0	0	111.4	R233 P234 L235 C271 V272 A275 D280 F281 E286 L287	R233-Q283 VanDerWaalsContact O-CB 3.23Å; R233-Q283 WeakPolarHBondContact O-CB 3.42Å; R233-Q283 VanDerWaalsContact O-CG 3.28Å; R233-Q283 WeakPolarHBondContact O-CG 3.34Å; P234-Q283 PolarHBondContact O-NE2 3Å; L235-Q283 HydrophobicContact CD2-CG 3.69Å; C271-Q283 PolarHBondContact O-OE1 3.06Å; V272-Q283 HydrophobicContact CG2-CB 4.45Å; V272-Q283 HydrophobicContact CG2-CG 4.02Å; A275-Q283 HydrophobicContact CB-CB 4.11Å; A275-Q283 VanDerWaalsContact CB-OE1 3.25Å; D280-Q283 PolarHBondContact O-N 2.79Å; D280-Q283 VanDerWaalsContact O-N 3.14Å; F281-Q283 PolarHBondContact O-N 2.76Å; Q283-E286 PolarHBondContact O-N 3.2Å; Q283-L287 PolarHBondContact O-N 3.06Å
284	G	98.5	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.3	-39.3	177	0	0	0	0	0	112.8	F281 G282 L287 G288	F281-G284 PolarHBondContact O-N 3.34Å; F281-G284 VanDerWaalsContact O-N 3.09Å; G282-G284 VanDerWaalsContact C-N 3.35Å; G284-L287 PolarHBondContact O-N 3.23Å; G284-G288 PolarHBondContact O-N 2.88Å
285	L	98.7	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-46.5	172.6	-68.9	177.8	0	0	0	111.6	L221 I223 F281 G282 L287 G288 L289 L315 Y319 A322	L221-L285 HydrophobicContact CD1-CB 4.39Å; L221-L285 HydrophobicContact CD1-CD1 4.36Å; L221-L285 HydrophobicContact CD2-CB 3.78Å; I223-L285 HydrophobicContact CG2-CD1 3.97Å; F281-L285 HydrophobicContact CD2-CD1 4.29Å; F281-L285 PolarHBondContact O-N 3.13Å; G282-L285 PolarHBondContact O-N 2.68Å; L285-L287 PolarHBondContact O-N 2.95Å; L285-G288 PolarHBondContact O-N 3.03Å; L285-L289 VanDerWaalsContact O-CB 3.26Å; L285-L289 WeakPolarHBondContact O-CB 3.42Å; L285-L289 VanDerWaalsContact O-CG 3.27Å; L285-L289 WeakPolarHBondContact O-CG 3.31Å; L285-L289 PolarHBondContact O-N 3.29Å; L285-L315 HydrophobicContact CD2-CD2 3.96Å; L285-Y319 HydrophobicContact CD1-CD1 4.47Å; L285-Y319 HydrophobicContact CD2-CD1 3.62Å; L285-Y319 HydrophobicContact CD2-CD2 4.1Å; L285-Y319 HydrophobicContact CD2-CE1 3.63Å; L285-Y319 HydrophobicContact CD2-CE2 4.06Å; L285-Y319 HydrophobicContact CD2-CG 3.85Å; L285-A322 HydrophobicContact CD1-CB 4.35Å
286	E	98.6	Very high	98.1	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.028	10%	0.104	C	C	.	.	H	α-helix	trans	-58.4	-49.4	176.8	-179.3	176.9	-173.7	0	0	111.5	C213 Y232 L235 Y239 G282 Q283 S290	C213-E286 VanDerWaalsContact SG-CD 3.6Å; Y232-E286 VanDerWaalsContact CE2-OE2 3.23Å; Y232-E286 WeakPolarHBondContact CE2-OE2 3.35Å; Y232-E286 PolarHBondContact OH-OE2 2.69Å; L235-E286 HydrophobicContact CD1-CG 3.84Å; L235-E286 HydrophobicContact CG-CG 4.04Å; Y239-E286 HydrophobicContact CE1-CG 4.43Å; Y239-E286 WeakPolarHBondContact CE1-OE1 3.4Å; Y239-E286 VanDerWaalsContact CZ-OE1 3.29Å; Y239-E286 PolarHBondContact OH-OE1 3.16Å; G282-E286 WeakPolarHBondContact O-CB 3.41Å; G282-E286 PolarHBondContact O-N 3.46Å; Q283-E286 PolarHBondContact O-N 3.2Å; E286-S290 WeakPolarHBondContact O-CB 3.36Å; E286-S290 PolarHBondContact O-N 3.09Å; E286-S290 PolarHBondContact O-OG 3.14Å
287	L	98.8	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-48	179.7	-174.5	58.8	0	0	0	111.5	L235 L242 L268 I269 V272 Q283 G284 L285 S290 I291 L314	L235-L287 HydrophobicContact CD1-CB 4.47Å; L235-L287 HydrophobicContact CD1-CD1 4.22Å; L235-L287 HydrophobicContact CD2-CB 3.9Å; L235-L287 HydrophobicContact CD2-CD1 4.37Å; L242-L287 HydrophobicContact CD1-CD1 4.17Å; L242-L287 HydrophobicContact CD2-CD1 3.87Å; L268-L287 HydrophobicContact CB-CD1 4.44Å; L268-L287 HydrophobicContact CB-CD2 3.74Å; L268-L287 HydrophobicContact CD1-CD1 4.02Å; I269-L287 HydrophobicContact CG1-CD2 4.12Å; V272-L287 HydrophobicContact CG2-CB 4.36Å; V272-L287 HydrophobicContact CG2-CD2 3.88Å; Q283-L287 PolarHBondContact O-N 3.06Å; G284-L287 PolarHBondContact O-N 3.23Å; L285-L287 PolarHBondContact O-N 2.95Å; L287-S290 PolarHBondContact O-N 3.37Å; L287-I291 HydrophobicContact CD1-CD1 3.97Å; L287-I291 HydrophobicContact CD1-CG1 4.33Å; L287-I291 HydrophobicContact CG-CD1 3.89Å; L287-I291 VanDerWaalsContact O-CG1 3.28Å; L287-I291 WeakPolarHBondContact O-CG1 3.34Å; L287-I291 PolarHBondContact O-N 2.92Å; L287-L314 HydrophobicContact CB-CD1 4.28Å; L287-L314 HydrophobicContact CD2-CD1 3.87Å; L287-L314 HydrophobicContact CD2-CD2 4.06Å; L287-L314 HydrophobicContact CG-CD1 3.81Å
288	G	98.8	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-45.1	-178.4	0	0	0	0	0	112.9	G284 L285 S290 I291 L292	G284-G288 PolarHBondContact O-N 2.88Å; L285-G288 PolarHBondContact O-N 3.03Å; G288-S290 VanDerWaalsContact C-N 3.29Å; G288-S290 PolarHBondContact O-N 2.98Å; G288-I291 PolarHBondContact O-N 3.39Å; G288-L292 WeakPolarHBondContact O-CB 3.43Å; G288-L292 PolarHBondContact O-N 3.36Å
289	L	98.8	Very high	97.7	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-36	176.5	-73.6	172.2	0	0	0	111.3	P116 T215 L221 L285 L292 A293 L315	P116-L289 HydrophobicContact CB-CD2 3.57Å; T215-L289 HydrophobicContact CG2-CB 4.43Å; T215-L289 HydrophobicContact CG2-CD1 4.33Å; L221-L289 HydrophobicContact CD1-CD1 4.11Å; L285-L289 VanDerWaalsContact O-CB 3.26Å; L285-L289 WeakPolarHBondContact O-CB 3.42Å; L285-L289 VanDerWaalsContact O-CG 3.27Å; L285-L289 WeakPolarHBondContact O-CG 3.31Å; L285-L289 PolarHBondContact O-N 3.29Å; L289-L292 HydrophobicContact CD2-CD2 4.49Å; L289-L292 PolarHBondContact O-N 2.89Å; L289-A293 WeakPolarHBondContact O-CB 3.41Å; L289-A293 PolarHBondContact O-N 3.08Å; L289-L315 HydrophobicContact CD2-CD1 4.31Å; L289-L315 HydrophobicContact CD2-CD2 4.42Å; L289-L315 HydrophobicContact CG-CD2 3.99Å
290	S	98.4	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-42.5	177.4	-64.8	0	0	0	0	112	E286 L287 G288 A293 F294	E286-S290 WeakPolarHBondContact O-CB 3.36Å; E286-S290 PolarHBondContact O-N 3.09Å; E286-S290 PolarHBondContact O-OG 3.14Å; L287-S290 PolarHBondContact O-N 3.37Å; G288-S290 VanDerWaalsContact C-N 3.29Å; G288-S290 PolarHBondContact O-N 2.98Å; S290-A293 PolarHBondContact O-N 3.25Å; S290-F294 PolarHBondContact O-N 3.06Å
291	I	98.7	Very high	97.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-70.6	-36.1	175.6	-60.3	166.3	0	0	0	111	L246 L287 G288 A293 F294 F307 I311 L314	L246-I291 HydrophobicContact CD1-CB 4.49Å; L246-I291 HydrophobicContact CD1-CG1 4.15Å; L246-I291 HydrophobicContact CD1-CG2 4.43Å; L246-I291 HydrophobicContact CD2-CG1 4.29Å; L246-I291 HydrophobicContact CD2-CG2 4.32Å; L287-I291 HydrophobicContact CD1-CD1 3.97Å; L287-I291 HydrophobicContact CD1-CG1 4.33Å; L287-I291 HydrophobicContact CG-CD1 3.89Å; L287-I291 VanDerWaalsContact O-CG1 3.28Å; L287-I291 WeakPolarHBondContact O-CG1 3.34Å; L287-I291 PolarHBondContact O-N 2.92Å; G288-I291 PolarHBondContact O-N 3.39Å; I291-A293 VanDerWaalsContact C-N 3.29Å; I291-A293 PolarHBondContact O-N 3.5Å; I291-F294 VanDerWaalsContact O-CB 3.28Å; I291-F294 WeakPolarHBondContact O-CB 3.4Å; I291-F294 PolarHBondContact O-N 3.33Å; I291-F307 HydrophobicContact CG2-CB 3.58Å; I291-F307 HydrophobicContact CG2-CD1 4.32Å; I291-F307 HydrophobicContact CG2-CD2 4.29Å; I291-F307 HydrophobicContact CG2-CG 3.82Å; I291-I311 HydrophobicContact CB-CG1 4.05Å; I291-I311 HydrophobicContact CG2-CD1 3.95Å; I291-I311 HydrophobicContact CG2-CG1 3.64Å; I291-L314 HydrophobicContact CD1-CD1 3.92Å
292	L	98.7	Very high	97.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-40.1	175.2	-179.9	68.3	0	0	0	112	H114 P116 G288 L289 F294 I311 L315 I331 M335 R338	H114-L292 PolarHBondContact ND1-O 2.92Å; P116-L292 HydrophobicContact CB-CD2 3.98Å; G288-L292 WeakPolarHBondContact O-CB 3.43Å; G288-L292 PolarHBondContact O-N 3.36Å; L289-L292 HydrophobicContact CD2-CD2 4.49Å; L289-L292 PolarHBondContact O-N 2.89Å; L292-F294 VanDerWaalsContact C-N 3.28Å; L292-F294 PolarHBondContact O-N 3.47Å; L292-I311 HydrophobicContact CB-CG2 4.15Å; L292-I311 HydrophobicContact CD1-CD1 4.45Å; L292-I311 HydrophobicContact CD1-CG2 4.19Å; L292-L315 HydrophobicContact CD2-CD1 4.37Å; L292-I331 HydrophobicContact CD2-CD1 4.3Å; L292-M335 HydrophobicContact CD1-CE 3.64Å; L292-M335 HydrophobicContact CD1-SD 4.28Å; L292-R338 PolarHBondContact O-NH2 3.23Å
293	A	98.4	Very high	97.4	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.041	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8	179.4	0	0	0	0	0	114.3	I216 N217 L289 S290 I291 H295	I216-A293 HydrophobicContact CB-CB 4.22Å; I216-A293 HydrophobicContact CG2-CB 4.06Å; N217-A293 HydrophobicContact CB-CB 3.84Å; L289-A293 WeakPolarHBondContact O-CB 3.41Å; L289-A293 PolarHBondContact O-N 3.08Å; S290-A293 PolarHBondContact O-N 3.25Å; I291-A293 VanDerWaalsContact C-N 3.29Å; I291-A293 PolarHBondContact O-N 3.5Å; A293-H295 PolarHBondContact O-N 3.21Å
294	F	98.3	Very high	97.4	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	17%	0.171	C	C	.	.			trans	-63.6	126.4	179.9	171.9	-109.9	0	0	0	111.3	H114 L246 E247 V250 S290 I291 L292 P296 A304 F307	H114-F294 PolarHBondContact CE1-O 3.09Å; L246-F294 HydrophobicContact CB-CD1 4Å; L246-F294 HydrophobicContact CB-CD2 3.72Å; L246-F294 HydrophobicContact CB-CE1 3.94Å; L246-F294 HydrophobicContact CB-CE2 3.66Å; L246-F294 HydrophobicContact CB-CG 3.89Å; L246-F294 HydrophobicContact CB-CZ 3.79Å; L246-F294 HydrophobicContact CD1-CB 3.68Å; L246-F294 HydrophobicContact CD1-CD1 4.33Å; L246-F294 HydrophobicContact CD1-CD2 3.86Å; L246-F294 HydrophobicContact CD1-CG 3.68Å; L246-F294 HydrophobicContact CG-CD2 4.45Å; L246-F294 HydrophobicContact CG-CG 4.42Å; E247-F294 HydrophobicContact CB-CE2 4.43Å; E247-F294 HydrophobicContact CB-CZ 4.37Å; V250-F294 HydrophobicContact CG1-CE1 3.99Å; V250-F294 HydrophobicContact CG2-CE1 4.14Å; V250-F294 HydrophobicContact CG2-CZ 4.04Å; S290-F294 PolarHBondContact O-N 3.06Å; I291-F294 VanDerWaalsContact O-CB 3.28Å; I291-F294 WeakPolarHBondContact O-CB 3.4Å; I291-F294 PolarHBondContact O-N 3.33Å; L292-F294 VanDerWaalsContact C-N 3.28Å; L292-F294 PolarHBondContact O-N 3.47Å; F294-P296 HydrophobicContact CD1-CG 4.36Å; F294-P296 HydrophobicContact CE1-CB 4.32Å; F294-P296 HydrophobicContact CE1-CG 3.77Å; F294-P296 HydrophobicContact CZ-CB 4.43Å; F294-P296 HydrophobicContact CZ-CG 4.34Å; F294-A304 HydrophobicContact CD1-CB 4.18Å; F294-F307 HydrophobicContact CD1-CD2 4.26Å; F294-F307 AromaticContact CD1-CE2 3.83Å; F294-F307 HydrophobicContact CD1-CE2 3.83Å; F294-F307 AromaticContact CE1-CE2 3.85Å; F294-F307 HydrophobicContact CE1-CE2 3.85Å
295	H	97.7	Very high	97.4	Very high	50 Å²	50	34.4 Å²	34.4	23%	0.231	19%	0.185	C	C	.	.			trans	-116.5	111.3	177.8	-169.1	97.9	0	0	0	109.5	H114 M151 A293	H114-H295 AromaticContact CE1-ND1 3.96Å; H114-H295 AromaticContact NE2-CG 3.96Å; H114-H295 AromaticContact NE2-ND1 3.15Å; H114-H295 PolarHBondContact NE2-ND1 2.91Å; H114-H295 VanDerWaalsContact NE2-ND1 3.15Å; M151-H295 PolarHBondContact O-CE1 3.11Å; A293-H295 PolarHBondContact O-N 3.21Å
296	P	97.8	Very high	97.3	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.013	20%	0.201	C	C	.	.			trans	-57.5	136.1	-179.9	-25.2	33.8	0	0	0	113	V250 F294 R299 T303 A304	V250-P296 HydrophobicContact CG2-CB 4.3Å; F294-P296 HydrophobicContact CD1-CG 4.36Å; F294-P296 HydrophobicContact CE1-CB 4.32Å; F294-P296 HydrophobicContact CE1-CG 3.77Å; F294-P296 HydrophobicContact CZ-CB 4.43Å; F294-P296 HydrophobicContact CZ-CG 4.34Å; P296-R299 HydrophobicContact CB-CB 3.97Å; P296-T303 WeakPolarHBondContact CG-OG1 3.45Å; P296-A304 HydrophobicContact CG-CB 3.79Å
297	K	95.8	Very high	97.3	Very high	143 Å²	143	37.1 Å²	37.1	62%	0.622	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	128.7	177.7	-67.6	174.9	-179.4	170.9	0	111.4	E247 R299	E247-K297 PolarHBondContact OE2-N 3.39Å; K297-R299 PolarHBondContact O-N 3.01Å
298	A	93	Very high	97.3	Very high	102 Å²	102	38 Å²	38	84%	0.843	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	39.2	175.4	0	0	0	0	0	113.2
299	R	94.3	Very high	97.3	Very high	105 Å²	105	44.3 Å²	44.3	40%	0.396	24%	0.238	S	C	.	.	S	Bend	trans	-142.5	156.5	178.3	-68.4	-177	-166.7	-14.4	0.1	110.1	E247 S251 P296 K297 L301 T303	E247-R299 IonicContact OE1-NE 3.68Å; S251-R299 PolarHBondContact OG-NE 3.08Å; S251-R299 VanDerWaalsContact OG-NE 3.09Å; S251-R299 PolarHBondContact OG-NH2 3.1Å; P296-R299 HydrophobicContact CB-CB 3.97Å; K297-R299 PolarHBondContact O-N 3.01Å; R299-L301 PolarHBondContact O-N 3.03Å; R299-T303 HydrophobicContact CB-CG2 4.32Å
300	P	95.4	Very high	97.3	Very high	84 Å²	84	46.2 Å²	46.2	55%	0.545	25%	0.246	S	C	.	.			trans	-55.4	139	168.3	-22.3	33.4	0	0	0	110.8	E302 T303	P300-E302 VanDerWaalsContact CB-OE2 3.29Å; P300-E302 WeakPolarHBondContact CB-OE2 3.29Å; P300-E302 PolarHBondContact O-N 3.08Å; P300-T303 HydrophobicContact CB-CG2 4.42Å; P300-T303 WeakPolarHBondContact O-CB 3.36Å; P300-T303 WeakPolarHBondContact O-CG2 3.41Å; P300-T303 PolarHBondContact O-N 2.81Å; P300-T303 PolarHBondContact O-OG1 2.92Å
301	L	95.6	Very high	97.3	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.058	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-60.2	-32.3	-176.7	179.9	56.2	0	0	0	111.6	Y113 R299 T303 A304 I340	Y113-L301 HydrophobicContact CD1-CD1 3.54Å; Y113-L301 HydrophobicContact CD1-CD2 3.56Å; Y113-L301 HydrophobicContact CD1-CG 3.48Å; Y113-L301 VanDerWaalsContact CD1-CG 3.48Å; Y113-L301 HydrophobicContact CD2-CD2 4.26Å; Y113-L301 HydrophobicContact CD2-CG 4.28Å; Y113-L301 HydrophobicContact CE1-CD1 3.45Å; Y113-L301 VanDerWaalsContact CE1-CD1 3.45Å; Y113-L301 HydrophobicContact CE1-CD2 4.16Å; Y113-L301 HydrophobicContact CE1-CG 3.52Å; Y113-L301 HydrophobicContact CE2-CG 4.33Å; Y113-L301 HydrophobicContact CG-CD1 4.42Å; Y113-L301 HydrophobicContact CG-CD2 3.63Å; Y113-L301 HydrophobicContact CG-CG 3.88Å; Y113-L301 PolarHBondContact OH-O 3.45Å; R299-L301 PolarHBondContact O-N 3.03Å; L301-T303 PolarHBondContact O-N 2.91Å; L301-T303 VanDerWaalsContact O-N 3.11Å; L301-A304 WeakPolarHBondContact O-CB 3.13Å; L301-A304 PolarHBondContact O-N 3.38Å; L301-I340 HydrophobicContact CB-CD1 3.83Å; L301-I340 HydrophobicContact CD2-CD1 4.24Å; L301-I340 HydrophobicContact CD2-CG1 4.3Å; L301-I340 HydrophobicContact CG-CD1 4.34Å
302	E	95.9	Very high	97.3	Very high	96 Å²	96	48.5 Å²	48.5	45%	0.449	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-64	-16.5	178.4	-56	92.1	153.9	0	0	113.4	P300 A304 N305 I340	P300-E302 VanDerWaalsContact CB-OE2 3.29Å; P300-E302 WeakPolarHBondContact CB-OE2 3.29Å; P300-E302 PolarHBondContact O-N 3.08Å; E302-A304 PolarHBondContact O-N 3.19Å; E302-N305 WeakPolarHBondContact O-CB 3.4Å; E302-N305 VanDerWaalsContact O-CG 3.27Å; E302-N305 PolarHBondContact O-N 3.43Å; E302-N305 PolarHBondContact O-ND2 2.89Å; E302-I340 HydrophobicContact CG-CD1 3.75Å; E302-I340 HydrophobicContact CG-CG1 4.15Å; E302-I340 WeakPolarHBondContact OE1-CD1 3.29Å
303	T	96.8	Very high	97.3	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.294	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-60.7	-26.4	172.8	59.4	0	0	0	0	111.9	P296 R299 P300 L301 N305 I306	P296-T303 WeakPolarHBondContact CG-OG1 3.45Å; R299-T303 HydrophobicContact CB-CG2 4.32Å; P300-T303 HydrophobicContact CB-CG2 4.42Å; P300-T303 WeakPolarHBondContact O-CB 3.36Å; P300-T303 WeakPolarHBondContact O-CG2 3.41Å; P300-T303 PolarHBondContact O-N 2.81Å; P300-T303 PolarHBondContact O-OG1 2.92Å; L301-T303 PolarHBondContact O-N 2.91Å; L301-T303 VanDerWaalsContact O-N 3.11Å; T303-N305 PolarHBondContact O-N 3.38Å; T303-I306 WeakPolarHBondContact O-CG2 3.36Å
304	A	97.8	Very high	97.4	Very high	1 Å²	1	52 Å²	52	1%	0.008	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-71.7	-10	172.6	0	0	0	0	0	113.9	Y113 F294 P296 L301 E302 I306 F307	Y113-A304 HydrophobicContact CE1-CB 4.3Å; Y113-A304 WeakPolarHBondContact OH-CB 3.29Å; F294-A304 HydrophobicContact CD1-CB 4.18Å; P296-A304 HydrophobicContact CG-CB 3.79Å; L301-A304 WeakPolarHBondContact O-CB 3.13Å; L301-A304 PolarHBondContact O-N 3.38Å; E302-A304 PolarHBondContact O-N 3.19Å; A304-I306 PolarHBondContact O-N 3.03Å; A304-I306 VanDerWaalsContact O-N 3.1Å; A304-F307 HydrophobicContact CB-CD2 4.31Å; A304-F307 WeakPolarHBondContact O-CB 3.34Å; A304-F307 VanDerWaalsContact O-CD2 3.29Å; A304-F307 WeakPolarHBondContact O-CD2 3.29Å; A304-F307 PolarHBondContact O-N 3.29Å
305	N	98.2	Very high	97.4	Very high	56 Å²	56	51.8 Å²	51.8	30%	0.299	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61.8	-20.6	177.6	-71.9	-15.6	0	0	0	113.1	Y113 E302 T303 F307 N308	Y113-N305 VanDerWaalsContact CE2-OD1 3.27Å; Y113-N305 WeakPolarHBondContact CE2-OD1 3.48Å; Y113-N305 PolarHBondContact OH-N 2.93Å; Y113-N305 PolarHBondContact OH-OD1 3.07Å; E302-N305 WeakPolarHBondContact O-CB 3.4Å; E302-N305 VanDerWaalsContact O-CG 3.27Å; E302-N305 PolarHBondContact O-N 3.43Å; E302-N305 PolarHBondContact O-ND2 2.89Å; T303-N305 PolarHBondContact O-N 3.38Å; N305-F307 PolarHBondContact O-N 3.4Å; N305-F307 VanDerWaalsContact O-N 3.08Å; N305-N308 WeakPolarHBondContact O-CB 3.48Å; N305-N308 VanDerWaalsContact O-CG 3.24Å; N305-N308 PolarHBondContact O-N 3.25Å
306	I	97.7	Very high	97.4	Very high	64 Å²	64	50.3 Å²	50.3	33%	0.328	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-58.2	-22	174	-161.3	172.3	0	0	0	112.7	V250 Q258 F262 T303 A304	V250-I306 HydrophobicContact CG1-CG2 4.28Å; Q258-I306 HydrophobicContact CG-CD1 4.33Å; F262-I306 HydrophobicContact CE2-CD1 3.7Å; F262-I306 HydrophobicContact CE2-CG1 4.17Å; F262-I306 HydrophobicContact CZ-CD1 3.89Å; F262-I306 HydrophobicContact CZ-CG1 3.9Å; F262-I306 HydrophobicContact CZ-CG2 4.25Å; T303-I306 WeakPolarHBondContact O-CG2 3.36Å; A304-I306 PolarHBondContact O-N 3.03Å; A304-I306 VanDerWaalsContact O-N 3.1Å
307	F	98.6	Very high	97.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-88.3	-8.7	177.9	-56.4	-61.4	0	0	0	114.2	L246 I249 V250 F262 I291 F294 A304 N305 N309 K310 I311	L246-F307 HydrophobicContact CB-CE2 4.28Å; L246-F307 HydrophobicContact CB-CZ 4.03Å; L246-F307 HydrophobicContact CD2-CD1 4.01Å; L246-F307 HydrophobicContact CD2-CE1 3.5Å; L246-F307 VanDerWaalsContact CD2-CE1 3.5Å; L246-F307 HydrophobicContact CD2-CE2 4.08Å; L246-F307 HydrophobicContact CD2-CZ 3.54Å; L246-F307 HydrophobicContact CG-CZ 4.37Å; I249-F307 HydrophobicContact CB-CE1 4.27Å; I249-F307 HydrophobicContact CB-CZ 4Å; I249-F307 HydrophobicContact CD1-CE1 3.97Å; I249-F307 HydrophobicContact CD1-CZ 4.36Å; I249-F307 HydrophobicContact CG2-CE1 3.78Å; I249-F307 HydrophobicContact CG2-CZ 3.75Å; V250-F307 HydrophobicContact CG1-CE2 3.52Å; V250-F307 HydrophobicContact CG1-CZ 3.85Å; F262-F307 AromaticContact CE1-CD1 3.79Å; F262-F307 HydrophobicContact CE1-CD1 3.79Å; F262-F307 AromaticContact CE1-CE1 3.56Å; F262-F307 HydrophobicContact CE1-CE1 3.56Å; F262-F307 HydrophobicContact CZ-CD1 4.15Å; F262-F307 AromaticContact CZ-CE1 3.86Å; F262-F307 HydrophobicContact CZ-CE1 3.86Å; I291-F307 HydrophobicContact CG2-CB 3.58Å; I291-F307 HydrophobicContact CG2-CD1 4.32Å; I291-F307 HydrophobicContact CG2-CD2 4.29Å; I291-F307 HydrophobicContact CG2-CG 3.82Å; F294-F307 HydrophobicContact CD1-CD2 4.26Å; F294-F307 AromaticContact CD1-CE2 3.83Å; F294-F307 HydrophobicContact CD1-CE2 3.83Å; F294-F307 AromaticContact CE1-CE2 3.85Å; F294-F307 HydrophobicContact CE1-CE2 3.85Å; A304-F307 HydrophobicContact CB-CD2 4.31Å; A304-F307 WeakPolarHBondContact O-CB 3.34Å; A304-F307 VanDerWaalsContact O-CD2 3.29Å; A304-F307 WeakPolarHBondContact O-CD2 3.29Å; A304-F307 PolarHBondContact O-N 3.29Å; N305-F307 PolarHBondContact O-N 3.4Å; N305-F307 VanDerWaalsContact O-N 3.08Å; F307-N309 VanDerWaalsContact C-N 3.31Å; F307-N309 PolarHBondContact O-N 3.43Å; F307-K310 WeakPolarHBondContact O-CA 3.33Å; F307-K310 WeakPolarHBondContact O-CB 2.93Å; F307-K310 PolarHBondContact O-N 2.93Å; F307-I311 HydrophobicContact CB-CD1 3.97Å; F307-I311 HydrophobicContact CB-CG1 4.27Å; F307-I311 WeakPolarHBondContact O-CG1 3.41Å; F307-I311 PolarHBondContact O-N 3.36Å
308	N	98.8	Very high	97.6	Very high	18 Å²	18	45.3 Å²	45.3	10%	0.096	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-42	-170	-72.4	-0.3	0	0	0	112.8	N305 K310 I311 K312 M335 R338	N305-N308 WeakPolarHBondContact O-CB 3.48Å; N305-N308 VanDerWaalsContact O-CG 3.24Å; N305-N308 PolarHBondContact O-N 3.25Å; N308-K310 VanDerWaalsContact C-N 3.32Å; N308-K310 PolarHBondContact O-N 3.24Å; N308-I311 PolarHBondContact O-N 3.03Å; N308-K312 WeakPolarHBondContact O-CB 3.5Å; N308-K312 PolarHBondContact O-N 2.62Å; N308-M335 HydrophobicContact CB-CB 4.38Å; N308-M335 HydrophobicContact CB-SD 4.25Å; N308-R338 WeakPolarHBondContact OD1-CD 3.47Å; N308-R338 PolarHBondContact OD1-NH1 3.29Å
309	N	98.7	Very high	97.9	Very high	132 Å²	132	40.4 Å²	40.4	71%	0.706	21%	0.207	S	C	*	.	H	α-helix	trans	-62.7	-37.6	177	-72.5	-21.1	0	0	0	112.8	F307 H313	F307-N309 VanDerWaalsContact C-N 3.31Å; F307-N309 PolarHBondContact O-N 3.43Å; N309-H313 WeakPolarHBondContact O-CB 3.49Å; N309-H313 PolarHBondContact O-N 2.91Å
310	K	98.7	Very high	98	Very high	46 Å²	46	38.6 Å²	38.6	20%	0.2	21%	0.207	C	C	.	.	H	α-helix	trans	-73.1	-43.5	178.8	-63.9	179.3	-173	-62.1	0	110.7	F262 D266 I269 F307 N308 K312 H313 L314	F262-K310 HydrophobicContact CD1-CD 4.34Å; F262-K310 VanDerWaalsContact CD1-CE 3.47Å; F262-K310 HydrophobicContact CE1-CD 4.05Å; F262-K310 VanDerWaalsContact CE1-CE 3.41Å; D266-K310 IonicContact OD1-NZ 2.97Å; D266-K310 PolarHBondContact OD1-NZ 3.12Å; D266-K310 IonicContact OD2-NZ 2.97Å; I269-K310 HydrophobicContact CD1-CB 4.09Å; I269-K310 HydrophobicContact CD1-CD 3.72Å; I269-K310 HydrophobicContact CD1-CG 3.9Å; F307-K310 WeakPolarHBondContact O-CA 3.33Å; F307-K310 WeakPolarHBondContact O-CB 2.93Å; F307-K310 PolarHBondContact O-N 2.93Å; N308-K310 VanDerWaalsContact C-N 3.32Å; N308-K310 PolarHBondContact O-N 3.24Å; K310-K312 VanDerWaalsContact C-N 3.34Å; K310-H313 PolarHBondContact O-N 3.44Å; K310-L314 WeakPolarHBondContact O-CB 3.48Å; K310-L314 WeakPolarHBondContact O-CD1 3.21Å; K310-L314 VanDerWaalsContact O-CG 3.25Å; K310-L314 WeakPolarHBondContact O-CG 3.41Å; K310-L314 PolarHBondContact O-N 3.43Å
311	I	98.9	Very high	98.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-49	174	-62.3	163.3	0	0	0	109.8	I291 L292 F307 N308 H313 L314 L315 I331 M335	I291-I311 HydrophobicContact CB-CG1 4.05Å; I291-I311 HydrophobicContact CG2-CD1 3.95Å; I291-I311 HydrophobicContact CG2-CG1 3.64Å; L292-I311 HydrophobicContact CB-CG2 4.15Å; L292-I311 HydrophobicContact CD1-CD1 4.45Å; L292-I311 HydrophobicContact CD1-CG2 4.19Å; F307-I311 HydrophobicContact CB-CD1 3.97Å; F307-I311 HydrophobicContact CB-CG1 4.27Å; F307-I311 WeakPolarHBondContact O-CG1 3.41Å; F307-I311 PolarHBondContact O-N 3.36Å; N308-I311 PolarHBondContact O-N 3.03Å; I311-H313 PolarHBondContact O-N 2.65Å; I311-L314 PolarHBondContact O-N 2.75Å; I311-L315 HydrophobicContact CG2-CD1 3.72Å; I311-L315 HydrophobicContact CG2-CG 4.32Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 PolarHBondContact O-N 2.82Å; I311-I331 HydrophobicContact CG2-CD1 4.2Å; I311-I331 HydrophobicContact CG2-CG1 4.41Å; I311-M335 HydrophobicContact CB-CG 4.26Å; I311-M335 HydrophobicContact CB-SD 3.77Å; I311-M335 HydrophobicContact CD1-SD 3.97Å; I311-M335 HydrophobicContact CG2-CG 3.98Å; I311-M335 HydrophobicContact CG2-SD 3.53Å; I311-M335 VanDerWaalsContact CG2-SD 3.53Å
312	K	98.8	Very high	98.1	Very high	50 Å²	50	38.8 Å²	38.8	22%	0.217	21%	0.205	C	C	.	.	H	α-helix	trans	-55.3	-50.7	178.2	-173.8	176.1	-172	178	0	111	N308 K310 S316 Q332 M335 D336	N308-K312 WeakPolarHBondContact O-CB 3.5Å; N308-K312 PolarHBondContact O-N 2.62Å; K310-K312 VanDerWaalsContact C-N 3.34Å; K312-S316 WeakPolarHBondContact O-CB 3.35Å; K312-S316 PolarHBondContact O-N 3.01Å; K312-S316 PolarHBondContact O-OG 2.75Å; K312-Q332 HydrophobicContact CG-CG 4.08Å; K312-M335 HydrophobicContact CB-CB 3.85Å; K312-M335 HydrophobicContact CB-CG 4.06Å; K312-M335 HydrophobicContact CD-CB 4.45Å; K312-M335 HydrophobicContact CG-CB 4.31Å; K312-D336 IonicContact NZ-OD1 2.59Å; K312-D336 PolarHBondContact NZ-OD1 3.45Å; K312-D336 IonicContact NZ-OD2 2.85Å; K312-D336 PolarHBondContact NZ-OD2 3.17Å
313	H	98.7	Very high	98.1	Very high	79 Å²	79	40.2 Å²	40.2	37%	0.366	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-55.5	179.1	178.7	66	0	0	0	112.3	Q273 N309 K310 I311 L315 S316 V317	Q273-H313 PolarHBondContact NE2-NE2 3.31Å; N309-H313 WeakPolarHBondContact O-CB 3.49Å; N309-H313 PolarHBondContact O-N 2.91Å; K310-H313 PolarHBondContact O-N 3.44Å; I311-H313 PolarHBondContact O-N 2.65Å; H313-L315 PolarHBondContact O-N 3.19Å; H313-S316 PolarHBondContact O-OG 3.28Å; H313-V317 WeakPolarHBondContact O-CB 3.42Å; H313-V317 WeakPolarHBondContact O-CG2 3.49Å; H313-V317 PolarHBondContact O-N 3.25Å; H313-V317 VanDerWaalsContact O-N 3.12Å
314	L	98.9	Very high	98.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-48.9	-176.2	-73.3	167.4	0	0	0	112.1	I269 V272 L287 I291 K310 I311 G318	I269-L314 HydrophobicContact CG1-CD1 4.3Å; I269-L314 HydrophobicContact CG1-CD2 4.26Å; I269-L314 HydrophobicContact CG2-CD2 4.45Å; V272-L314 HydrophobicContact CB-CD2 4.19Å; V272-L314 HydrophobicContact CG1-CD2 3.73Å; V272-L314 HydrophobicContact CG2-CD2 4.29Å; L287-L314 HydrophobicContact CB-CD1 4.28Å; L287-L314 HydrophobicContact CD2-CD1 3.87Å; L287-L314 HydrophobicContact CD2-CD2 4.06Å; L287-L314 HydrophobicContact CG-CD1 3.81Å; I291-L314 HydrophobicContact CD1-CD1 3.92Å; K310-L314 WeakPolarHBondContact O-CB 3.48Å; K310-L314 WeakPolarHBondContact O-CD1 3.21Å; K310-L314 VanDerWaalsContact O-CG 3.25Å; K310-L314 WeakPolarHBondContact O-CG 3.41Å; K310-L314 PolarHBondContact O-N 3.43Å; I311-L314 PolarHBondContact O-N 2.75Å; L314-G318 PolarHBondContact O-N 3.24Å
315	L	98.8	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-77.6	-40.2	-175.4	-67.3	-174.5	0	0	0	112.4	L285 L289 L292 I311 H313 V317 G318 Y319 I331	L285-L315 HydrophobicContact CD2-CD2 3.96Å; L289-L315 HydrophobicContact CD2-CD1 4.31Å; L289-L315 HydrophobicContact CD2-CD2 4.42Å; L289-L315 HydrophobicContact CG-CD2 3.99Å; L292-L315 HydrophobicContact CD2-CD1 4.37Å; I311-L315 HydrophobicContact CG2-CD1 3.72Å; I311-L315 HydrophobicContact CG2-CG 4.32Å; I311-L315 WeakPolarHBondContact O-CB 3.47Å; I311-L315 PolarHBondContact O-N 2.82Å; H313-L315 PolarHBondContact O-N 3.19Å; L315-V317 PolarHBondContact O-N 3.07Å; L315-G318 PolarHBondContact O-N 3.35Å; L315-Y319 HydrophobicContact CB-CD2 4.06Å; L315-Y319 HydrophobicContact CB-CE2 3.84Å; L315-Y319 HydrophobicContact CD1-CE2 4.46Å; L315-Y319 HydrophobicContact CD2-CE2 4.1Å; L315-Y319 HydrophobicContact CG-CE2 4.35Å; L315-Y319 WeakPolarHBondContact O-CB 3.25Å; L315-Y319 WeakPolarHBondContact O-CD2 3.36Å; L315-Y319 PolarHBondContact O-N 3.27Å; L315-I331 HydrophobicContact CB-CB 4.31Å; L315-I331 HydrophobicContact CB-CG1 3.79Å; L315-I331 HydrophobicContact CB-CG2 3.88Å; L315-I331 HydrophobicContact CD1-CD1 3.76Å; L315-I331 HydrophobicContact CD1-CG1 3.68Å; L315-I331 HydrophobicContact CG-CG1 4.33Å
316	S	98.6	Very high	98	Very high	18 Å²	18	45 Å²	45	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-42.9	178.6	62.7	0	0	0	0	112.1	K312 H313 T320 S328	K312-S316 WeakPolarHBondContact O-CB 3.35Å; K312-S316 PolarHBondContact O-N 3.01Å; K312-S316 PolarHBondContact O-OG 2.75Å; H313-S316 PolarHBondContact O-OG 3.28Å; S316-T320 WeakPolarHBondContact O-CB 3.39Å; S316-T320 PolarHBondContact O-N 2.93Å; S316-T320 VanDerWaalsContact O-N 3.13Å; S316-T320 PolarHBondContact O-OG1 3.11Å; S316-S328 WeakPolarHBondContact CA-OG 3.46Å; S316-S328 WeakPolarHBondContact CB-OG 3.24Å; S316-S328 PolarHBondContact O-OG 3.43Å; S316-S328 VanDerWaalsContact O-OG 3.05Å
317	V	98.7	Very high	98	Very high	40 Å²	40	42 Å²	42	24%	0.242	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-51.3	175.4	176.1	0	0	0	0	110.1	H313 L315 Y319 T320 L321	H313-V317 WeakPolarHBondContact O-CB 3.42Å; H313-V317 WeakPolarHBondContact O-CG2 3.49Å; H313-V317 PolarHBondContact O-N 3.25Å; H313-V317 VanDerWaalsContact O-N 3.12Å; L315-V317 PolarHBondContact O-N 3.07Å; V317-Y319 PolarHBondContact O-N 3.33Å; V317-T320 PolarHBondContact O-N 2.96Å; V317-T320 VanDerWaalsContact O-N 3.1Å; V317-L321 HydrophobicContact CG1-CD1 3.81Å; V317-L321 HydrophobicContact CG1-CG 4.3Å; V317-L321 WeakPolarHBondContact O-CG 3.43Å; V317-L321 PolarHBondContact O-N 3.11Å
318	G	98.4	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-45.6	-178.3	0	0	0	0	0	113.1	L314 L315 L321 A322	L314-G318 PolarHBondContact O-N 3.24Å; L315-G318 PolarHBondContact O-N 3.35Å; G318-L321 PolarHBondContact O-N 2.87Å; G318-A322 WeakPolarHBondContact O-CB 3.34Å; G318-A322 PolarHBondContact O-N 2.85Å
319	Y	98.5	Very high	97.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.9	-34.2	177.3	-73.5	-53.6	0	0	0	112.8	P117 E118 L285 L315 V317 A322 N323 R324 F327 I331	P117-Y319 HydrophobicContact CB-CE2 4.46Å; P117-Y319 HydrophobicContact CG-CD2 4.49Å; P117-Y319 HydrophobicContact CG-CE2 3.73Å; E118-Y319 WeakPolarHBondContact OE1-CE1 3.47Å; E118-Y319 VanDerWaalsContact OE1-CZ 3.26Å; E118-Y319 PolarHBondContact OE1-OH 3.03Å; E118-Y319 PolarHBondContact OE2-OH 2.99Å; L285-Y319 HydrophobicContact CD1-CD1 4.47Å; L285-Y319 HydrophobicContact CD2-CD1 3.62Å; L285-Y319 HydrophobicContact CD2-CD2 4.1Å; L285-Y319 HydrophobicContact CD2-CE1 3.63Å; L285-Y319 HydrophobicContact CD2-CE2 4.06Å; L285-Y319 HydrophobicContact CD2-CG 3.85Å; L315-Y319 HydrophobicContact CB-CD2 4.06Å; L315-Y319 HydrophobicContact CB-CE2 3.84Å; L315-Y319 HydrophobicContact CD1-CE2 4.46Å; L315-Y319 HydrophobicContact CD2-CE2 4.1Å; L315-Y319 HydrophobicContact CG-CE2 4.35Å; L315-Y319 WeakPolarHBondContact O-CB 3.25Å; L315-Y319 WeakPolarHBondContact O-CD2 3.36Å; L315-Y319 PolarHBondContact O-N 3.27Å; V317-Y319 PolarHBondContact O-N 3.33Å; Y319-A322 PolarHBondContact O-N 3.45Å; Y319-N323 PolarHBondContact O-N 3.42Å; Y319-R324 HydrophobicContact CD1-CB 4.17Å; Y319-R324 CarbonylContact O-C 3.25Å; Y319-R324 WeakPolarHBondContact O-CA 3.46Å; Y319-R324 PolarHBondContact O-N 3.12Å; Y319-F327 HydrophobicContact CD1-CB 3.72Å; Y319-F327 AromaticContact CD1-CD2 3.93Å; Y319-F327 HydrophobicContact CD1-CD2 3.93Å; Y319-F327 HydrophobicContact CD1-CG 4.36Å; Y319-F327 HydrophobicContact CD2-CB 3.85Å; Y319-F327 HydrophobicContact CE1-CB 4.01Å; Y319-F327 AromaticContact CE1-CD2 3.81Å; Y319-F327 HydrophobicContact CE1-CD2 3.81Å; Y319-F327 HydrophobicContact CE1-CG 4.38Å; Y319-F327 HydrophobicContact CE2-CB 4.16Å; Y319-F327 HydrophobicContact CG-CB 3.65Å; Y319-I331 HydrophobicContact CD2-CG2 4.32Å
320	T	98.1	Very high	97.9	Very high	66 Å²	66	40.1 Å²	40.1	41%	0.405	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-44.4	175.9	-57.7	0	0	0	0	110.9	S316 V317 A322 N323 S328	S316-T320 WeakPolarHBondContact O-CB 3.39Å; S316-T320 PolarHBondContact O-N 2.93Å; S316-T320 VanDerWaalsContact O-N 3.13Å; S316-T320 PolarHBondContact O-OG1 3.11Å; V317-T320 PolarHBondContact O-N 2.96Å; V317-T320 VanDerWaalsContact O-N 3.1Å; T320-A322 VanDerWaalsContact C-N 3.33Å; T320-N323 PolarHBondContact O-N 3.43Å; T320-N323 VanDerWaalsContact O-N 3.09Å; T320-S328 PolarHBondContact OG1-OG 3.46Å
321	L	97.3	Very high	97.9	Very high	82 Å²	82	38 Å²	38	43%	0.429	19%	0.193	S	C	.	.	H	α-helix	trans	-65.7	-35.3	176.1	-66.1	174.5	0	0	0	112.1	N276 F281 V317 G318 N323	N276-L321 HydrophobicContact CB-CD1 3.77Å; F281-L321 HydrophobicContact CB-CB 3.62Å; F281-L321 HydrophobicContact CB-CD1 3.82Å; F281-L321 HydrophobicContact CB-CG 4.38Å; F281-L321 HydrophobicContact CD1-CB 3.9Å; F281-L321 HydrophobicContact CG-CB 3.82Å; V317-L321 HydrophobicContact CG1-CD1 3.81Å; V317-L321 HydrophobicContact CG1-CG 4.3Å; V317-L321 WeakPolarHBondContact O-CG 3.43Å; V317-L321 PolarHBondContact O-N 3.11Å; G318-L321 PolarHBondContact O-N 2.87Å; L321-N323 PolarHBondContact O-N 3.41Å
322	A	95.8	Very high	97.9	Very high	17 Å²	17	41.3 Å²	41.3	14%	0.14	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	3.2	172.8	0	0	0	0	0	114.2	F281 L285 G318 Y319 T320 R324	F281-A322 HydrophobicContact CD2-CB 3.76Å; F281-A322 HydrophobicContact CE2-CB 3.48Å; F281-A322 VanDerWaalsContact CE2-CB 3.48Å; F281-A322 HydrophobicContact CZ-CB 4.19Å; L285-A322 HydrophobicContact CD1-CB 4.35Å; G318-A322 WeakPolarHBondContact O-CB 3.34Å; G318-A322 PolarHBondContact O-N 2.85Å; Y319-A322 PolarHBondContact O-N 3.45Å; T320-A322 VanDerWaalsContact C-N 3.33Å; A322-R324 VanDerWaalsContact C-N 3.3Å; A322-R324 HydrophobicContact CB-CG 4.24Å; A322-R324 PolarHBondContact O-N 2.93Å
323	N	95.8	Very high	97.8	Very high	126 Å²	126	41.6 Å²	41.6	67%	0.674	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	39.2	-173.8	-166.2	44.9	0	0	0	113.8	Y319 T320 L321	Y319-N323 PolarHBondContact O-N 3.42Å; T320-N323 PolarHBondContact O-N 3.43Å; T320-N323 VanDerWaalsContact O-N 3.09Å; L321-N323 PolarHBondContact O-N 3.41Å
324	R	96	Very high	97.8	Very high	22 Å²	22	38 Å²	38	8%	0.083	20%	0.2	C	C	.	.			trans	-119.6	56.5	177.9	-60.9	174.9	-171	-179.9	-1.9	110.1	D137 V222 Y319 A322 E326 F327 S328	D137-R324 PolarHBondContact O-NH1 2.87Å; D137-R324 PolarHBondContact O-NH2 2.94Å; V222-R324 PolarHBondContact O-NH1 3.27Å; V222-R324 PolarHBondContact O-NH2 3.46Å; Y319-R324 HydrophobicContact CD1-CB 4.17Å; Y319-R324 CarbonylContact O-C 3.25Å; Y319-R324 WeakPolarHBondContact O-CA 3.46Å; Y319-R324 PolarHBondContact O-N 3.12Å; A322-R324 VanDerWaalsContact C-N 3.3Å; A322-R324 HydrophobicContact CB-CG 4.24Å; A322-R324 PolarHBondContact O-N 2.93Å; R324-E326 PolarHBondContact O-N 3.43Å; R324-F327 HydrophobicContact CB-CB 4.35Å; R324-F327 HydrophobicContact CB-CD2 3.95Å; R324-F327 HydrophobicContact CB-CG 4.39Å; R324-F327 HydrophobicContact CG-CD2 4.4Å; R324-F327 WeakPolarHBondContact O-CB 3.15Å; R324-F327 PolarHBondContact O-N 3.18Å; R324-S328 PolarHBondContact O-N 3.44Å
325	K	96.4	Very high	97.8	Very high	116 Å²	116	38.4 Å²	38.4	50%	0.504	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-31.6	-169.4	-65.1	177.9	-175.1	174.7	0	112.9	F327 S328 Q329	K325-F327 VanDerWaalsContact C-N 3.35Å; K325-S328 WeakPolarHBondContact O-CA 3.46Å; K325-S328 VanDerWaalsContact O-CB 3.28Å; K325-S328 WeakPolarHBondContact O-CB 3.1Å; K325-S328 PolarHBondContact O-N 2.95Å; K325-S328 VanDerWaalsContact O-N 3.17Å; K325-Q329 WeakPolarHBondContact O-CG 3.47Å; K325-Q329 PolarHBondContact O-N 3.09Å
326	E	97	Very high	97.8	Very high	68 Å²	68	43.5 Å²	43.5	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-46.6	174.1	-65.2	75.2	-168.1	0	0	110.5	H53 R324 S328 Q329 V330	H53-E326 HydrophobicContact CB-CB 4.14Å; H53-E326 HydrophobicContact CB-CG 4.45Å; H53-E326 WeakPolarHBondContact ND1-CG 3.38Å; R324-E326 PolarHBondContact O-N 3.43Å; E326-S328 VanDerWaalsContact C-N 3.3Å; E326-S328 PolarHBondContact O-N 3.23Å; E326-Q329 WeakPolarHBondContact O-CB 3.45Å; E326-Q329 PolarHBondContact O-N 2.96Å; E326-Q329 VanDerWaalsContact O-N 3.1Å; E326-V330 VanDerWaalsContact O-CG2 3.3Å; E326-V330 WeakPolarHBondContact O-CG2 3.46Å; E326-V330 PolarHBondContact O-N 3.02Å
327	F	98.3	Very high	97.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-34.5	175.6	-66.8	-15	0	0	0	112.6	P117 E118 R136 C139 Y319 R324 K325 Q329 V330 I331	P117-F327 HydrophobicContact CB-CB 3.62Å; P117-F327 HydrophobicContact CB-CD1 3.77Å; P117-F327 HydrophobicContact CB-CG 3.76Å; P117-F327 HydrophobicContact CG-CB 4.28Å; P117-F327 WeakPolarHBondContact CG-O 3.37Å; E118-F327 HydrophobicContact CG-CD2 4.31Å; E118-F327 HydrophobicContact CG-CE2 3.76Å; E118-F327 HydrophobicContact CG-CZ 4.13Å; R136-F327 HydrophobicContact CG-CE1 4.47Å; R136-F327 HydrophobicContact CG-CZ 3.93Å; C139-F327 WeakPolarHBondContact SG-CE1 3.38Å; Y319-F327 HydrophobicContact CD1-CB 3.72Å; Y319-F327 AromaticContact CD1-CD2 3.93Å; Y319-F327 HydrophobicContact CD1-CD2 3.93Å; Y319-F327 HydrophobicContact CD1-CG 4.36Å; Y319-F327 HydrophobicContact CD2-CB 3.85Å; Y319-F327 HydrophobicContact CE1-CB 4.01Å; Y319-F327 AromaticContact CE1-CD2 3.81Å; Y319-F327 HydrophobicContact CE1-CD2 3.81Å; Y319-F327 HydrophobicContact CE1-CG 4.38Å; Y319-F327 HydrophobicContact CE2-CB 4.16Å; Y319-F327 HydrophobicContact CG-CB 3.65Å; R324-F327 HydrophobicContact CB-CB 4.35Å; R324-F327 HydrophobicContact CB-CD2 3.95Å; R324-F327 HydrophobicContact CB-CG 4.39Å; R324-F327 HydrophobicContact CG-CD2 4.4Å; R324-F327 WeakPolarHBondContact O-CB 3.15Å; R324-F327 PolarHBondContact O-N 3.18Å; K325-F327 VanDerWaalsContact C-N 3.35Å; F327-Q329 VanDerWaalsContact C-N 3.34Å; F327-Q329 PolarHBondContact O-N 3.09Å; F327-V330 PolarHBondContact O-N 2.59Å; F327-I331 WeakPolarHBondContact O-CG2 3.49Å; F327-I331 PolarHBondContact O-N 2.94Å
328	S	98.5	Very high	97.6	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.049	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-40.6	171.3	178.7	0	0	0	0	112.1	S316 T320 R324 K325 E326 I331 Q332	S316-S328 WeakPolarHBondContact CA-OG 3.46Å; S316-S328 WeakPolarHBondContact CB-OG 3.24Å; S316-S328 PolarHBondContact O-OG 3.43Å; S316-S328 VanDerWaalsContact O-OG 3.05Å; T320-S328 PolarHBondContact OG1-OG 3.46Å; R324-S328 PolarHBondContact O-N 3.44Å; K325-S328 WeakPolarHBondContact O-CA 3.46Å; K325-S328 VanDerWaalsContact O-CB 3.28Å; K325-S328 WeakPolarHBondContact O-CB 3.1Å; K325-S328 PolarHBondContact O-N 2.95Å; K325-S328 VanDerWaalsContact O-N 3.17Å; E326-S328 VanDerWaalsContact C-N 3.3Å; E326-S328 PolarHBondContact O-N 3.23Å; S328-I331 WeakPolarHBondContact O-CG2 3.44Å; S328-Q332 WeakPolarHBondContact O-CG 3.37Å; S328-Q332 PolarHBondContact O-N 3.28Å; S328-Q332 PolarHBondContact O-NE2 3.47Å; S328-Q332 PolarHBondContact OG-NE2 3.15Å
329	Q	97.6	Very high	97.4	Very high	104 Å²	104	49.7 Å²	49.7	49%	0.486	25%	0.251	S	S	.	.	H	α-helix	trans	-67.7	-45	176.8	-69.2	170.4	-9.7	0	0	111.6	K325 E326 F327 I331 Q332 S333	K325-Q329 WeakPolarHBondContact O-CG 3.47Å; K325-Q329 PolarHBondContact O-N 3.09Å; E326-Q329 WeakPolarHBondContact O-CB 3.45Å; E326-Q329 PolarHBondContact O-N 2.96Å; E326-Q329 VanDerWaalsContact O-N 3.1Å; F327-Q329 VanDerWaalsContact C-N 3.34Å; F327-Q329 PolarHBondContact O-N 3.09Å; Q329-I331 PolarHBondContact O-N 3Å; Q329-Q332 PolarHBondContact O-N 2.9Å; Q329-S333 PolarHBondContact O-N 3.22Å
330	V	98.5	Very high	97.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-58.2	-48.8	178.2	174.4	0	0	0	0	110.9	P117 E326 F327 Q332 S333 H334	P117-V330 HydrophobicContact CB-CB 4.02Å; P117-V330 HydrophobicContact CB-CG1 3.93Å; P117-V330 HydrophobicContact CG-CB 4.4Å; P117-V330 HydrophobicContact CG-CG1 4.25Å; E326-V330 VanDerWaalsContact O-CG2 3.3Å; E326-V330 WeakPolarHBondContact O-CG2 3.46Å; E326-V330 PolarHBondContact O-N 3.02Å; F327-V330 PolarHBondContact O-N 2.59Å; V330-Q332 VanDerWaalsContact C-N 3.33Å; V330-Q332 PolarHBondContact O-N 2.99Å; V330-S333 PolarHBondContact O-N 3.49Å; V330-H334 WeakPolarHBondContact O-CB 3.48Å; V330-H334 PolarHBondContact O-N 2.81Å
331	I	98.7	Very high	97	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.3	-33.7	-177.8	-165.9	60.9	0	0	0	112.6	P117 L292 I311 L315 Y319 F327 S328 Q329 H334 M335	P117-I331 HydrophobicContact CG-CB 3.78Å; P117-I331 HydrophobicContact CG-CD1 4.37Å; L292-I331 HydrophobicContact CD2-CD1 4.3Å; I311-I331 HydrophobicContact CG2-CD1 4.2Å; I311-I331 HydrophobicContact CG2-CG1 4.41Å; L315-I331 HydrophobicContact CB-CB 4.31Å; L315-I331 HydrophobicContact CB-CG1 3.79Å; L315-I331 HydrophobicContact CB-CG2 3.88Å; L315-I331 HydrophobicContact CD1-CD1 3.76Å; L315-I331 HydrophobicContact CD1-CG1 3.68Å; L315-I331 HydrophobicContact CG-CG1 4.33Å; Y319-I331 HydrophobicContact CD2-CG2 4.32Å; F327-I331 WeakPolarHBondContact O-CG2 3.49Å; F327-I331 PolarHBondContact O-N 2.94Å; S328-I331 WeakPolarHBondContact O-CG2 3.44Å; Q329-I331 PolarHBondContact O-N 3Å; I331-H334 PolarHBondContact O-N 3.18Å; I331-M335 HydrophobicContact CD1-CE 3.96Å; I331-M335 HydrophobicContact CD1-CG 4Å; I331-M335 HydrophobicContact CD1-SD 4.42Å; I331-M335 HydrophobicContact CG1-CG 4.07Å; I331-M335 WeakPolarHBondContact O-CB 3.42Å; I331-M335 VanDerWaalsContact O-CG 3.28Å; I331-M335 WeakPolarHBondContact O-CG 3.45Å; I331-M335 PolarHBondContact O-N 3.42Å
332	Q	98.6	Very high	96.9	Very high	71 Å²	71	51.8 Å²	51.8	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-62.6	-50.1	175.5	-74.6	174.9	80.6	0	0	110.8	K312 S328 Q329 V330 H334 M335 D336	K312-Q332 HydrophobicContact CG-CG 4.08Å; S328-Q332 WeakPolarHBondContact O-CG 3.37Å; S328-Q332 PolarHBondContact O-N 3.28Å; S328-Q332 PolarHBondContact O-NE2 3.47Å; S328-Q332 PolarHBondContact OG-NE2 3.15Å; Q329-Q332 PolarHBondContact O-N 2.9Å; V330-Q332 VanDerWaalsContact C-N 3.33Å; V330-Q332 PolarHBondContact O-N 2.99Å; Q332-H334 VanDerWaalsContact C-N 3.32Å; Q332-H334 PolarHBondContact O-N 3.47Å; Q332-M335 PolarHBondContact O-N 3.2Å; Q332-D336 WeakPolarHBondContact O-CB 3.47Å; Q332-D336 VanDerWaalsContact O-CG 3.23Å; Q332-D336 PolarHBondContact O-N 3.44Å
333	S	97.9	Very high	97	Very high	56 Å²	56	53.2 Å²	53.2	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-39.9	176.8	-174.6	0	0	0	0	111.9	N108 Q329 V330 D336 D337	N108-S333 VanDerWaalsContact ND2-C 3.35Å; N108-S333 PolarHBondContact ND2-O 3.45Å; N108-S333 VanDerWaalsContact ND2-O 3.11Å; N108-S333 PolarHBondContact ND2-OG 2.78Å; Q329-S333 PolarHBondContact O-N 3.22Å; V330-S333 PolarHBondContact O-N 3.49Å; S333-D336 PolarHBondContact O-N 2.94Å; S333-D337 PolarHBondContact O-N 3.45Å
334	H	98.5	Very high	97	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.019	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-41.5	177.8	-175	-163	0	0	0	111.9	R111 F112 D115 V330 I331 Q332 D337 R338	R111-H334 WeakPolarHBondContact CD-ND1 3.46Å; F112-H334 PolarHBondContact O-CE1 2.94Å; D115-H334 PolarHBondContact O-CE1 3.2Å; D115-H334 VanDerWaalsContact O-CE1 3.3Å; D115-H334 PolarHBondContact O-ND1 3.37Å; V330-H334 WeakPolarHBondContact O-CB 3.48Å; V330-H334 PolarHBondContact O-N 2.81Å; I331-H334 PolarHBondContact O-N 3.18Å; Q332-H334 VanDerWaalsContact C-N 3.32Å; Q332-H334 PolarHBondContact O-N 3.47Å; H334-D337 CarbonylContact O-C 3.44Å; H334-D337 VanDerWaalsContact O-C 3.25Å; H334-R338 WeakPolarHBondContact O-CA 3.46Å; H334-R338 VanDerWaalsContact O-CB 3.23Å; H334-R338 WeakPolarHBondContact O-CB 3.49Å; H334-R338 PolarHBondContact O-N 3.38Å
335	M	98.5	Very high	96.7	Very high	8 Å²	8	52 Å²	52	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-77.2	-23.1	-179.4	-66	-58.5	95.7	0	0	113.6	L292 N308 I311 K312 I331 Q332 R338	L292-M335 HydrophobicContact CD1-CE 3.64Å; L292-M335 HydrophobicContact CD1-SD 4.28Å; N308-M335 HydrophobicContact CB-CB 4.38Å; N308-M335 HydrophobicContact CB-SD 4.25Å; I311-M335 HydrophobicContact CB-CG 4.26Å; I311-M335 HydrophobicContact CB-SD 3.77Å; I311-M335 HydrophobicContact CD1-SD 3.97Å; I311-M335 HydrophobicContact CG2-CG 3.98Å; I311-M335 HydrophobicContact CG2-SD 3.53Å; I311-M335 VanDerWaalsContact CG2-SD 3.53Å; K312-M335 HydrophobicContact CB-CB 3.85Å; K312-M335 HydrophobicContact CB-CG 4.06Å; K312-M335 HydrophobicContact CD-CB 4.45Å; K312-M335 HydrophobicContact CG-CB 4.31Å; I331-M335 HydrophobicContact CD1-CE 3.96Å; I331-M335 HydrophobicContact CD1-CG 4Å; I331-M335 HydrophobicContact CD1-SD 4.42Å; I331-M335 HydrophobicContact CG1-CG 4.07Å; I331-M335 WeakPolarHBondContact O-CB 3.42Å; I331-M335 VanDerWaalsContact O-CG 3.28Å; I331-M335 WeakPolarHBondContact O-CG 3.45Å; I331-M335 PolarHBondContact O-N 3.42Å; Q332-M335 PolarHBondContact O-N 3.2Å; M335-R338 HydrophobicContact CE-CB 4.32Å; M335-R338 HydrophobicContact CE-CG 3.9Å
336	D	97.6	Very high	95.7	Very high	108 Å²	108	53.1 Å²	53.1	58%	0.578	27%	0.273	S	S	*	.	H	α-helix	trans	-73.7	-29.4	173.6	-73.1	-24.4	0	0	0	112.7	K312 Q332 S333	K312-D336 IonicContact NZ-OD1 2.59Å; K312-D336 PolarHBondContact NZ-OD1 3.45Å; K312-D336 IonicContact NZ-OD2 2.85Å; K312-D336 PolarHBondContact NZ-OD2 3.17Å; Q332-D336 WeakPolarHBondContact O-CB 3.47Å; Q332-D336 VanDerWaalsContact O-CG 3.23Å; Q332-D336 PolarHBondContact O-N 3.44Å; S333-D336 PolarHBondContact O-N 2.94Å
337	D	96.2	Very high	95.6	Very high	67 Å²	67	52.4 Å²	52.4	36%	0.358	27%	0.27	S	S	.	.	S	Bend	trans	-140.2	63.6	178.3	-174	17.2	0	0	0	110.4	S333 H334 R339	S333-D337 PolarHBondContact O-N 3.45Å; H334-D337 CarbonylContact O-C 3.44Å; H334-D337 VanDerWaalsContact O-C 3.25Å; D337-R339 VanDerWaalsContact CG-NE 3.29Å; D337-R339 PolarHBondContact O-N 3.03Å; D337-R339 WeakPolarHBondContact OD1-CG 3.27Å; D337-R339 IonicContact OD1-CZ 4Å; D337-R339 IonicContact OD1-NE 3.85Å; D337-R339 PolarHBondContact OD1-NE 3.38Å; D337-R339 IonicContact OD1-NH2 2.91Å; D337-R339 IonicContact OD2-CZ 2.66Å; D337-R339 VanDerWaalsContact OD2-CZ 3.24Å; D337-R339 IonicContact OD2-NE 3.57Å; D337-R339 PolarHBondContact OD2-NE 3.21Å; D337-R339 IonicContact OD2-NH2 3.04Å; D337-R339 PolarHBondContact OD2-NH2 3.34Å
338	R	96.9	Very high	95.5	Very high	18 Å²	18	55.1 Å²	55.1	7%	0.068	29%	0.285	C	S	.	.			trans	-81	106.7	-178.2	-166.1	-175.6	-174.6	-178.6	-3.7	110.2	Y113 L292 N308 H334 M335	Y113-R338 VanDerWaalsContact CD1-NH2 3.33Å; Y113-R338 HydrophobicContact CD2-CG 3.84Å; Y113-R338 HydrophobicContact CE2-CG 3.77Å; Y113-R338 VanDerWaalsContact CZ-CZ 3.49Å; Y113-R338 PolarHBondContact O-NE 2.85Å; Y113-R338 PolarHBondContact O-NH2 3.18Å; L292-R338 PolarHBondContact O-NH2 3.23Å; N308-R338 WeakPolarHBondContact OD1-CD 3.47Å; N308-R338 PolarHBondContact OD1-NH1 3.29Å; H334-R338 WeakPolarHBondContact O-CA 3.46Å; H334-R338 VanDerWaalsContact O-CB 3.23Å; H334-R338 WeakPolarHBondContact O-CB 3.49Å; H334-R338 PolarHBondContact O-N 3.38Å; M335-R338 HydrophobicContact CE-CB 4.32Å; M335-R338 HydrophobicContact CE-CG 3.9Å
339	R	95.2	Very high	95.3	Very high	102 Å²	102	57.8 Å²	57.8	39%	0.385	30%	0.298	S	S	.	.			trans	-104.7	149	-175.1	-53.1	-173.5	-178.6	-163.4	4.7	112.5	D337 E341	D337-R339 VanDerWaalsContact CG-NE 3.29Å; D337-R339 PolarHBondContact O-N 3.03Å; D337-R339 WeakPolarHBondContact OD1-CG 3.27Å; D337-R339 IonicContact OD1-CZ 4Å; D337-R339 IonicContact OD1-NE 3.85Å; D337-R339 PolarHBondContact OD1-NE 3.38Å; D337-R339 IonicContact OD1-NH2 2.91Å; D337-R339 IonicContact OD2-CZ 2.66Å; D337-R339 VanDerWaalsContact OD2-CZ 3.24Å; D337-R339 IonicContact OD2-NE 3.57Å; D337-R339 PolarHBondContact OD2-NE 3.21Å; D337-R339 IonicContact OD2-NH2 3.04Å; D337-R339 PolarHBondContact OD2-NH2 3.34Å; R339-E341 WeakPolarHBondContact CB-O 3.36Å
340	I	94.2	Very high	95.2	Very high	40 Å²	40	55.1 Å²	55.1	21%	0.205	29%	0.287	C	S	.	.	S	Bend	trans	-71.7	-52.6	165.2	-64.6	-163.4	0	0	0	109.2	Y113 M151 L301 E302	Y113-I340 HydrophobicContact CD2-CG1 4.18Å; M151-I340 HydrophobicContact SD-CG2 4.38Å; L301-I340 HydrophobicContact CB-CD1 3.83Å; L301-I340 HydrophobicContact CD2-CD1 4.24Å; L301-I340 HydrophobicContact CD2-CG1 4.3Å; L301-I340 HydrophobicContact CG-CD1 4.34Å; E302-I340 HydrophobicContact CG-CD1 3.75Å; E302-I340 HydrophobicContact CG-CG1 4.15Å; E302-I340 WeakPolarHBondContact OE1-CD1 3.29Å
341	E	93.3	Very high	95	Very high	136 Å²	136	58.4 Å²	58.4	64%	0.636	30%	0.304	S	S	*	.	S	Bend	trans	-87.8	115.3	172.8	-62.7	-56.5	151.3	0	0	109.5	R339	R339-E341 WeakPolarHBondContact CB-O 3.36Å
342	P	95.5	Very high	94.8	Very high	17 Å²	17	62.3 Å²	62.3	11%	0.11	32%	0.324	C	S	.	.			trans	-69.7	161.4	-176.5	31.3	-37.1	0	0	0	111.7	R111 F112	R111-P342 WeakPolarHBondContact O-CB 3.11Å; F112-P342 HydrophobicContact CD1-CG 3.95Å; F112-P342 HydrophobicContact CD2-CG 4.3Å; F112-P342 HydrophobicContact CE1-CG 3.69Å; F112-P342 HydrophobicContact CE2-CG 4.04Å; F112-P342 HydrophobicContact CG-CG 4.27Å; F112-P342 HydrophobicContact CZ-CG 3.74Å
343	L	97.3	Very high	94.5	Very high	46 Å²	46	61.7 Å²	61.7	24%	0.241	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-63.1	139	168	-71.7	170	0	0	0	110.7	N108 Y109 Y110	N108-L343 HydrophobicContact CB-CD1 4.23Å; Y109-L343 CarbonylContact C-O 3.49Å; Y109-L343 WeakPolarHBondContact CA-O 3.41Å; Y109-L343 HydrophobicContact CD1-CB 4.12Å; Y109-L343 HydrophobicContact CD2-CB 4.41Å; Y109-L343 HydrophobicContact CE1-CB 4.34Å; Y109-L343 HydrophobicContact CE2-CD1 4.41Å; Y109-L343 HydrophobicContact CG-CB 4.17Å; Y110-L343 PolarHBondContact N-O 3.28Å
344	T	95.9	Very high	94.2	Very high	63 Å²	63	62.2 Å²	62.2	39%	0.387	32%	0.319	S	S	.	.			trans	-119.8	160.2	174.7	56.1	0	0	0	0	110	Y109 Y110 T346	Y109-T344 VanDerWaalsContact CE1-O 3.32Å; Y109-T344 WeakPolarHBondContact CE1-O 3.42Å; Y110-T344 HydrophobicContact CD1-CG2 4.48Å; Y110-T344 HydrophobicContact CE1-CG2 3.81Å; T344-T346 VanDerWaalsContact C-N 3.34Å; T344-T346 PolarHBondContact OG1-O 3.38Å
345	F	91.5	Very high	93.9	Very high	59 Å²	59	67 Å²	67	26%	0.259	34%	0.344	S	S	.	.			trans	-83.8	-12.4	174.3	-70	-67.6	0	0	0	113.7	F52 E91 I92 W106 Y109 Y110	F52-F345 HydrophobicContact CE2-CE2 4.43Å; F52-F345 HydrophobicContact CE2-CZ 4.32Å; F52-F345 AromaticContact CZ-CE2 3.85Å; F52-F345 HydrophobicContact CZ-CE2 3.85Å; F52-F345 AromaticContact CZ-CZ 3.87Å; F52-F345 HydrophobicContact CZ-CZ 3.87Å; E91-F345 HydrophobicContact CB-CD2 4.08Å; E91-F345 WeakPolarHBondContact OE2-CD2 3.38Å; I92-F345 HydrophobicContact CD1-CD1 4.39Å; I92-F345 HydrophobicContact CD1-CD2 4.48Å; I92-F345 HydrophobicContact CD1-CE1 3.87Å; I92-F345 HydrophobicContact CD1-CE2 3.96Å; I92-F345 HydrophobicContact CD1-CZ 3.63Å; I92-F345 HydrophobicContact CG1-CE2 4.1Å; I92-F345 HydrophobicContact CG1-CZ 4Å; W106-F345 HydrophobicContact CB-CE1 4.49Å; W106-F345 HydrophobicContact CB-CZ 3.9Å; W106-F345 AromaticContact CD1-CE1 3.5Å; W106-F345 AromaticContact CD1-CZ 3.76Å; W106-F345 HydrophobicContact CD2-CE1 4.29Å; W106-F345 HydrophobicContact CD2-CZ 4.03Å; W106-F345 AromaticContact CG-CE1 3.87Å; W106-F345 HydrophobicContact CG-CE1 3.87Å; W106-F345 AromaticContact CG-CZ 3.62Å; W106-F345 HydrophobicContact CG-CZ 3.62Å; W106-F345 AromaticContact NE1-CE1 3.72Å; Y109-F345 AromaticContact CD1-CD1 3.53Å; Y109-F345 HydrophobicContact CD1-CD1 3.53Å; Y109-F345 HydrophobicContact CD1-CD2 4.01Å; Y109-F345 AromaticContact CD1-CE1 3.42Å; Y109-F345 HydrophobicContact CD1-CE1 3.42Å; Y109-F345 VanDerWaalsContact CD1-CE1 3.42Å; Y109-F345 AromaticContact CD1-CE2 3.93Å; Y109-F345 HydrophobicContact CD1-CE2 3.93Å; Y109-F345 AromaticContact CD1-CG 3.82Å; Y109-F345 HydrophobicContact CD1-CG 3.82Å; Y109-F345 AromaticContact CD1-CZ 3.63Å; Y109-F345 HydrophobicContact CD1-CZ 3.63Å; Y109-F345 HydrophobicContact CD2-CE1 4.33Å; Y109-F345 HydrophobicContact CD2-CZ 4.36Å; Y109-F345 AromaticContact CE1-CD1 3.42Å; Y109-F345 HydrophobicContact CE1-CD1 3.42Å; Y109-F345 VanDerWaalsContact CE1-CD1 3.42Å; Y109-F345 AromaticContact CE1-CE1 3.49Å; Y109-F345 HydrophobicContact CE1-CE1 3.49Å; Y109-F345 VanDerWaalsContact CE1-CE1 3.49Å; Y109-F345 HydrophobicContact CE1-CG 4.06Å; Y109-F345 HydrophobicContact CE1-CZ 4.19Å; Y109-F345 HydrophobicContact CE2-CE1 4.38Å; Y109-F345 HydrophobicContact CG-CD1 4.41Å; Y109-F345 AromaticContact CG-CE1 3.86Å; Y109-F345 HydrophobicContact CG-CE1 3.86Å; Y109-F345 HydrophobicContact CG-CE2 4.17Å; Y109-F345 AromaticContact CG-CZ 3.72Å; Y109-F345 HydrophobicContact CG-CZ 3.72Å; Y109-F345 AromaticContact CZ-CE1 3.97Å; Y110-F345 HydrophobicContact CE2-CD2 4.08Å
346	T	74.5	Confident	93.4	Very high	140 Å²	140	72.4 Å²	72.4	86%	0.859	37%	0.371	S	S	*	.			trans	-114.2	0	179.5	59.3	0	0	0	0	111.3	T344	T344-T346 VanDerWaalsContact C-N 3.34Å; T344-T346 PolarHBondContact OG1-O 3.38Å

Retrieved 346 of 346 residues in 548.3 ms (Link to these results)

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