G4V884_SCHMA Loading...

N-terminal methionine N(alpha)-acetyltransferase NatE

AlphaFold DB , UniProt , Accession G4V884, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28	Very low	30.7	Very low	226 Å²	226	143.3 Å²	143.3	100%	1.113	82%	0.822	S	S	*	*				0	110.8	0	-172.9	173.1	-174.4	0	0	107.3
2	L	26	Very low	31.3	Very low	161 Å²	161	140.5 Å²	140.5	84%	0.843	81%	0.809	S	S	*	*			trans	41.4	136.9	152.6	-74.4	145.8	0	0	0	119.2
3	A	31.9	Very low	31.1	Very low	84 Å²	84	143.7 Å²	143.7	69%	0.694	81%	0.812	S	S	*	*			cis	-160.5	155	19.4	0	0	0	0	0	111.5
4	V	28.2	Very low	31.5	Very low	129 Å²	129	146.1 Å²	146.1	78%	0.782	81%	0.813	S	S	*	*			trans	-76	145	160.7	-83.1	0	0	0	0	111.1
5	H	34.9	Very low	31.5	Very low	177 Å²	177	149.7 Å²	149.7	82%	0.819	82%	0.817	S	S	*	*			trans	-168.4	105.8	146	-90.1	-47.4	0	0	0	107
6	S	31.7	Very low	31.6	Very low	93 Å²	93	145.2 Å²	145.2	65%	0.65	82%	0.816	S	S	*	*				69.1	102.5	79	67.6	0	0	0	0	115.1
7	E	28.2	Very low	32	Very low	189 Å²	189	150.2 Å²	150.2	88%	0.883	82%	0.819	S	S	*	*			trans	41	119.5	140.9	-61.7	-178.7	166.6	0	0	121.1
8	Q	34.7	Very low	32.6	Very low	200 Å²	200	147.4 Å²	147.4	94%	0.935	81%	0.813	S	S	*	*			trans	-137.4	117.4	130.2	-76.1	-165.7	-6.2	0	0	110.7
9	S	31.1	Very low	33.3	Very low	121 Å²	121	145.2 Å²	145.2	85%	0.846	80%	0.804	S	S	*	*			trans	-72.1	122.8	164.2	178.6	0	0	0	0	108.9
10	G	33.6	Very low	34	Very low	66 Å²	66	144.8 Å²	144.8	68%	0.68	80%	0.801	S	S	*	*			trans	-142	89.8	174.2	0	0	0	0	0	109.2	V12	G10-V12 PolarHBondContact O-N 3.13Å; G10-V12 VanDerWaalsContact O-N 3.13Å
11	T	29.1	Very low	34.7	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	80%	0.798	S	S	*	*			trans	-68.2	103.1	169.6	-51	0	0	0	0	108.4
12	V	37.8	Very low	35.8	Very low	110 Å²	110	139.9 Å²	139.9	67%	0.667	78%	0.781	S	S	*	*			trans	-113.6	106.7	165	-179.8	0	0	0	0	107.3	G10 Q14	G10-V12 PolarHBondContact O-N 3.13Å; G10-V12 VanDerWaalsContact O-N 3.13Å; V12-Q14 VanDerWaalsContact C-N 3.34Å; V12-Q14 HydrophobicContact CG1-CG 3.98Å; V12-Q14 PolarHBondContact O-N 2.92Å
13	E	29.4	Very low	37.3	Very low	182 Å²	182	140 Å²	140	85%	0.85	77%	0.774	S	S	*	*			trans	-56.4	95.5	162.1	-74.2	-178.4	138.3	0	0	109.1	K15	E13-K15 PolarHBondContact O-N 3.34Å
14	Q	36	Very low	38.8	Very low	177 Å²	177	142.2 Å²	142.2	83%	0.827	77%	0.773	S	S	*	*			trans	-88.1	99.2	164.4	-73.2	-154	-0.3	0	0	109.5	V12	V12-Q14 VanDerWaalsContact C-N 3.34Å; V12-Q14 HydrophobicContact CG1-CG 3.98Å; V12-Q14 PolarHBondContact O-N 2.92Å
15	K	31.9	Very low	40.8	Very low	200 Å²	200	145.4 Å²	145.4	87%	0.87	77%	0.773	S	S	*	*			trans	-25.4	135	160.4	-76.9	171.8	171.9	173.3	0	112.9	E13 R17	E13-K15 PolarHBondContact O-N 3.34Å; K15-R17 PolarHBondContact O-N 2.95Å; K15-R17 VanDerWaalsContact O-N 3.15Å
16	G	33.4	Very low	43	Very low	78 Å²	78	142.3 Å²	142.3	80%	0.804	76%	0.757	S	S	*	*			trans	-32.7	111.6	-179.2	0	0	0	0	0	114.4	S18	G16-S18 PolarHBondContact O-N 3.46Å
17	R	38.3	Very low	45.9	Very low	230 Å²	230	143 Å²	143	87%	0.868	75%	0.748	S	S	*	*			trans	-70	89.5	158.9	-168.6	173.9	-174	169.9	0.6	106.3	K15 T19	K15-R17 PolarHBondContact O-N 2.95Å; K15-R17 VanDerWaalsContact O-N 3.15Å; R17-T19 PolarHBondContact O-N 2.74Å
18	S	42.4	Very low	49.2	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	72%	0.717	S	S	*	*			trans	-56.6	99.7	159.5	-179.4	0	0	0	0	106	G16 N20	G16-S18 PolarHBondContact O-N 3.46Å; S18-N20 PolarHBondContact O-N 3.25Å
19	T	45.3	Very low	52.2	Low	105 Å²	105	130.1 Å²	130.1	64%	0.644	69%	0.689	S	S	*	*			trans	-67.2	85.8	161.5	48	0	0	0	0	104.8	R17 E21	R17-T19 PolarHBondContact O-N 2.74Å; T19-E21 PolarHBondContact O-N 3.34Å
20	N	47.9	Very low	55.4	Low	138 Å²	138	126.3 Å²	126.3	74%	0.738	66%	0.659	S	S	*	*			trans	-67.5	73.6	161.5	-148.9	12.2	0	0	0	104.7	S18 S22	S18-N20 PolarHBondContact O-N 3.25Å; N20-S22 VanDerWaalsContact C-N 3.33Å; N20-S22 PolarHBondContact O-N 3.02Å
21	E	49.8	Very low	58.5	Low	160 Å²	160	124 Å²	124	75%	0.748	64%	0.635	S	S	*	*			trans	-48.9	110.5	162.9	-74.8	-174	158.7	0	0	104.2	T19 K23	T19-E21 PolarHBondContact O-N 3.34Å; E21-K23 VanDerWaalsContact C-N 3.28Å; E21-K23 PolarHBondContact O-N 3.15Å
22	S	50.9	Low	61.8	Low	108 Å²	108	124 Å²	124	76%	0.755	63%	0.626	S	S	*	*			trans	-45.9	99.4	178	-52.4	0	0	0	0	106.8	N20 I24	N20-S22 VanDerWaalsContact C-N 3.33Å; N20-S22 PolarHBondContact O-N 3.02Å; S22-I24 VanDerWaalsContact C-N 3.27Å; S22-I24 PolarHBondContact O-N 2.76Å
23	K	55.8	Low	64.6	Low	162 Å²	162	118.9 Å²	118.9	70%	0.704	60%	0.595	S	S	*	*			trans	-56.9	104.7	174.5	-80	-179.8	178.7	175.3	0	103.4	E21 Y25	E21-K23 VanDerWaalsContact C-N 3.28Å; E21-K23 PolarHBondContact O-N 3.15Å; K23-Y25 VanDerWaalsContact C-N 3.26Å; K23-Y25 WeakPolarHBondContact O-CD2 3.43Å; K23-Y25 PolarHBondContact O-N 2.93Å
24	I	65.1	Low	67.9	Low	131 Å²	131	112.2 Å²	112.2	67%	0.672	57%	0.567	S	S	*	*			trans	-60.3	102.4	177.4	-66.6	175.5	0	0	0	104	S22 K26	S22-I24 VanDerWaalsContact C-N 3.27Å; S22-I24 PolarHBondContact O-N 2.76Å; I24-K26 HydrophobicContact CG2-CG 4.37Å; I24-K26 PolarHBondContact O-N 2.69Å
25	Y	70.4	Confident	70.8	Confident	196 Å²	196	108.1 Å²	108.1	77%	0.769	56%	0.556	S	S	*	*			trans	-65.7	110.7	177.8	-72.2	-84.3	0	0	0	106	K23 N74	K23-Y25 VanDerWaalsContact C-N 3.26Å; K23-Y25 WeakPolarHBondContact O-CD2 3.43Å; K23-Y25 PolarHBondContact O-N 2.93Å; Y25-N74 PolarHBondContact O-ND2 3.24Å; Y25-N74 PolarHBondContact O-OD1 2.95Å
26	K	81	Confident	74	Confident	113 Å²	113	107.1 Å²	107.1	49%	0.491	55%	0.553	S	S	.	*			trans	-93.1	98.1	176.5	-62.5	177.3	-172.7	174.5	0	107.1	I24 F73 Y125	I24-K26 HydrophobicContact CG2-CG 4.37Å; I24-K26 PolarHBondContact O-N 2.69Å; K26-F73 HydrophobicContact CB-CE2 4.24Å; K26-F73 HydrophobicContact CB-CZ 4.02Å; K26-F73 HydrophobicContact CD-CZ 4.12Å; K26-F73 HydrophobicContact CG-CE2 4.43Å; K26-F73 HydrophobicContact CG-CZ 3.83Å; K26-Y125 HydrophobicContact CD-CD1 4.04Å; K26-Y125 HydrophobicContact CD-CE1 4.26Å
27	K	92.6	Very high	77.1	Confident	108 Å²	108	104.3 Å²	104.3	47%	0.47	52%	0.52	S	S	.	.			trans	-92.2	122.1	174.2	-172.2	-173.8	173.6	-147.1	0	108.6	E29 F73 N74	K27-E29 WeakPolarHBondContact CE-OE2 3.2Å; K27-E29 IonicContact NZ-OE1 3.13Å; K27-E29 PolarHBondContact NZ-OE1 2.91Å; K27-E29 VanDerWaalsContact NZ-OE1 3.15Å; K27-E29 IonicContact NZ-OE2 2.9Å; K27-E29 PolarHBondContact NZ-OE2 2.86Å; K27-F73 WeakPolarHBondContact O-CA 3.15Å; K27-N74 PolarHBondContact N-OD1 3.31Å; K27-N74 PolarHBondContact O-N 3.42Å; K27-N74 PolarHBondContact O-OD1 3.42Å
28	I	96.7	Very high	79.9	Confident	45 Å²	45	94.5 Å²	94.5	23%	0.231	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.2	173.6	-48.4	177.5	0	0	0	108.4	Y72 F73 Y125 V127 L130	I28-Y72 VanDerWaalsContact CA-O 3.26Å; I28-Y72 WeakPolarHBondContact CA-O 3.33Å; I28-Y72 WeakPolarHBondContact CG2-O 3.31Å; I28-F73 HydrophobicContact CD1-CD2 4.01Å; I28-F73 HydrophobicContact CD1-CE2 4.24Å; I28-F73 HydrophobicContact CG1-CD2 3.77Å; I28-F73 HydrophobicContact CG1-CE2 4.22Å; I28-Y125 WeakPolarHBondContact CD1-O 3.47Å; I28-V127 HydrophobicContact CD1-CG2 4.01Å; I28-V127 HydrophobicContact CG2-CG2 4.1Å; I28-L130 HydrophobicContact CB-CD2 4.17Å; I28-L130 HydrophobicContact CG2-CD2 3.54Å
29	E	97.7	Very high	82.6	Confident	72 Å²	72	97.7 Å²	97.7	34%	0.336	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	162.4	-178.7	65.4	-172.3	168.8	0	0	112.3	K27 A71 Y72	K27-E29 WeakPolarHBondContact CE-OE2 3.2Å; K27-E29 IonicContact NZ-OE1 3.13Å; K27-E29 PolarHBondContact NZ-OE1 2.91Å; K27-E29 VanDerWaalsContact NZ-OE1 3.15Å; K27-E29 IonicContact NZ-OE2 2.9Å; K27-E29 PolarHBondContact NZ-OE2 2.86Å; E29-A71 WeakPolarHBondContact O-CA 3.39Å; E29-Y72 PolarHBondContact N-O 2.75Å; E29-Y72 PolarHBondContact O-N 2.84Å
30	L	98.5	Very high	85.1	Confident	41 Å²	41	97 Å²	97	22%	0.215	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.8	177.4	-61.7	-177.3	0	0	0	110.6	R69 L70 A71 L130 M131 H134	L30-R69 HydrophobicContact CB-CB 4.23Å; L30-R69 HydrophobicContact CB-CG 4.3Å; L30-R69 HydrophobicContact CD1-CB 4.49Å; L30-R69 HydrophobicContact CD1-CG 4.36Å; L30-R69 HydrophobicContact CD2-CB 4.39Å; L30-L70 CarbonylContact C-O 3.52Å; L30-L70 VanDerWaalsContact CA-O 3.31Å; L30-L70 WeakPolarHBondContact CA-O 3.48Å; L30-A71 HydrophobicContact CD2-CB 3.82Å; L30-L130 HydrophobicContact CD1-CG 4.16Å; L30-L130 HydrophobicContact CD2-CD2 3.97Å; L30-L130 HydrophobicContact CD2-CG 4.11Å; L30-L130 HydrophobicContact CG-CD2 3.88Å; L30-L130 HydrophobicContact CG-CG 3.91Å; L30-M131 HydrophobicContact CD2-CG 3.74Å; L30-H134 HydrophobicContact CD1-CB 3.34Å
31	G	98	Very high	87.5	Confident	17 Å²	17	90.4 Å²	90.4	18%	0.175	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	156.5	173.2	0	0	0	0	0	112.5	R69 L70	G31-R69 WeakPolarHBondContact O-CA 3.45Å; G31-R69 VanDerWaalsContact O-CD 3.3Å; G31-R69 WeakPolarHBondContact O-CD 3.48Å; G31-L70 PolarHBondContact N-O 3.15Å; G31-L70 PolarHBondContact O-N 3.35Å
32	Q	98	Very high	89.8	Confident	130 Å²	130	85.5 Å²	85.5	61%	0.607	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.8	176.3	-65.5	-178.2	4.2	0	0	111.5	N37	Q32-N37 PolarHBondContact O-ND2 3.47Å
33	L	98.3	Very high	92.1	Very high	4 Å²	4	85.3 Å²	85.3	2%	0.021	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-76.7	132.5	165.6	-175.1	68.5	0	0	0	109.5	I38 F41 V61 S65 C68	L33-I38 HydrophobicContact CD1-CD1 3.93Å; L33-I38 HydrophobicContact CD2-CD1 4.12Å; L33-I38 HydrophobicContact CG-CD1 4.41Å; L33-F41 HydrophobicContact CD1-CB 3.63Å; L33-F41 HydrophobicContact CD1-CD2 3.9Å; L33-F41 HydrophobicContact CD1-CG 3.83Å; L33-V61 HydrophobicContact CD2-CB 4.33Å; L33-V61 HydrophobicContact CD2-CG2 4.09Å; L33-S65 WeakPolarHBondContact O-CB 3.4Å; L33-C68 HydrophobicContact CB-CB 3.83Å; L33-C68 HydrophobicContact CD2-CB 3.61Å; L33-C68 HydrophobicContact CG-CB 4.35Å
34	T	98.1	Very high	94.1	Very high	42 Å²	42	78 Å²	78	26%	0.258	37%	0.373	S	S	.	.			trans	-137.9	165.4	179.3	70.3	0	0	0	0	110	H36 N37 I38	T34-H36 PolarHBondContact O-N 3.36Å; T34-H36 VanDerWaalsContact O-N 3.15Å; T34-H36 PolarHBondContact OG1-N 2.94Å; T34-N37 PolarHBondContact N-OD1 2.75Å; T34-N37 PolarHBondContact O-N 2.9Å; T34-N37 PolarHBondContact O-OD1 3.41Å; T34-N37 VanDerWaalsContact O-OD1 3.06Å; T34-N37 PolarHBondContact OG1-N 3.13Å; T34-N37 PolarHBondContact OG1-OD1 3.09Å; T34-I38 PolarHBondContact O-N 3.45Å
35	P	97.9	Very high	95.7	Very high	91 Å²	91	71.7 Å²	71.7	59%	0.591	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.7	173.4	-25.6	34.7	0	0	0	113.2	I38 L62	P35-I38 WeakPolarHBondContact O-CG2 3.39Å; P35-L62 HydrophobicContact CB-CD2 4.32Å; P35-L62 HydrophobicContact CG-CD1 4.06Å; P35-L62 HydrophobicContact CG-CD2 4.27Å
36	H	97.9	Very high	97	Very high	178 Å²	178	67.3 Å²	67.3	82%	0.824	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-31.7	-178.2	-60.7	92.7	0	0	0	113.2	T34	T34-H36 PolarHBondContact O-N 3.36Å; T34-H36 VanDerWaalsContact O-N 3.15Å; T34-H36 PolarHBondContact OG1-N 2.94Å
37	N	97.9	Very high	97.8	Very high	19 Å²	19	66.3 Å²	66.3	10%	0.102	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	4.8	-175.9	67.3	19.3	0	0	0	114.4	Q32 T34 K39 Q40 F41 L70	Q32-N37 PolarHBondContact O-ND2 3.47Å; T34-N37 PolarHBondContact N-OD1 2.75Å; T34-N37 PolarHBondContact O-N 2.9Å; T34-N37 PolarHBondContact O-OD1 3.41Å; T34-N37 VanDerWaalsContact O-OD1 3.06Å; T34-N37 PolarHBondContact OG1-N 3.13Å; T34-N37 PolarHBondContact OG1-OD1 3.09Å; N37-K39 PolarHBondContact O-N 3.26Å; N37-K39 VanDerWaalsContact O-N 3.13Å; N37-Q40 WeakPolarHBondContact O-CB 3.2Å; N37-Q40 PolarHBondContact O-N 2.93Å; N37-F41 PolarHBondContact O-N 3.49Å; N37-L70 HydrophobicContact CB-CD1 3.86Å; N37-L70 VanDerWaalsContact CG-CD1 3.49Å
38	I	98.2	Very high	98.1	Very high	24 Å²	24	62.4 Å²	62.4	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-31.6	178.9	-170.9	58.8	0	0	0	113.5	L33 T34 P35 Q40 F41 R42 Y58 V61	L33-I38 HydrophobicContact CD1-CD1 3.93Å; L33-I38 HydrophobicContact CD2-CD1 4.12Å; L33-I38 HydrophobicContact CG-CD1 4.41Å; T34-I38 PolarHBondContact O-N 3.45Å; P35-I38 WeakPolarHBondContact O-CG2 3.39Å; I38-Q40 VanDerWaalsContact C-N 3.35Å; I38-F41 HydrophobicContact CD1-CB 4.41Å; I38-F41 HydrophobicContact CD1-CD1 4.27Å; I38-F41 WeakPolarHBondContact O-CB 3.32Å; I38-F41 PolarHBondContact O-N 3.2Å; I38-R42 WeakPolarHBondContact O-CB 3.36Å; I38-R42 PolarHBondContact O-N 3.24Å; I38-Y58 HydrophobicContact CD1-CD1 4.49Å; I38-V61 HydrophobicContact CD1-CG2 4.13Å
39	K	98.1	Very high	98.1	Very high	167 Å²	167	62.3 Å²	62.3	73%	0.726	31%	0.314	S	S	*	.	H	α-helix	trans	-68.8	-33.1	176.7	-68.1	-175.6	-179.4	178.1	0	112.3	N37 R42 L43	N37-K39 PolarHBondContact O-N 3.26Å; N37-K39 VanDerWaalsContact O-N 3.13Å; K39-R42 PolarHBondContact O-N 3.17Å; K39-L43 WeakPolarHBondContact O-CB 3.24Å; K39-L43 PolarHBondContact O-N 3.06Å
40	Q	98.4	Very high	97.8	Very high	91 Å²	91	63.6 Å²	63.6	43%	0.425	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-43.5	173.1	-64.5	174.3	-41.2	0	0	110.4	N37 I38 R42 L43 I44 V77	N37-Q40 WeakPolarHBondContact O-CB 3.2Å; N37-Q40 PolarHBondContact O-N 2.93Å; I38-Q40 VanDerWaalsContact C-N 3.35Å; Q40-R42 VanDerWaalsContact C-N 3.3Å; Q40-R42 PolarHBondContact O-N 2.84Å; Q40-L43 PolarHBondContact O-N 3.23Å; Q40-I44 WeakPolarHBondContact O-CG1 3.3Å; Q40-I44 PolarHBondContact O-N 2.79Å; Q40-V77 HydrophobicContact CB-CG1 4.41Å; Q40-V77 HydrophobicContact CB-CG2 4.47Å
41	F	98.6	Very high	97.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-56.8	-44.8	173.4	-177.7	-86.1	0	0	0	111.8	L33 N37 I38 I44 N45 F57 Y58 V61 L70 A80	L33-F41 HydrophobicContact CD1-CB 3.63Å; L33-F41 HydrophobicContact CD1-CD2 3.9Å; L33-F41 HydrophobicContact CD1-CG 3.83Å; N37-F41 PolarHBondContact O-N 3.49Å; I38-F41 HydrophobicContact CD1-CB 4.41Å; I38-F41 HydrophobicContact CD1-CD1 4.27Å; I38-F41 WeakPolarHBondContact O-CB 3.32Å; I38-F41 PolarHBondContact O-N 3.2Å; F41-I44 PolarHBondContact O-N 2.96Å; F41-N45 WeakPolarHBondContact CE1-ND2 3.37Å; F41-N45 PolarHBondContact O-N 3.13Å; F41-N45 VanDerWaalsContact O-N 3.12Å; F41-F57 HydrophobicContact CE1-CE1 4.03Å; F41-F57 HydrophobicContact CE1-CZ 4.42Å; F41-Y58 HydrophobicContact CD1-CD1 4.08Å; F41-Y58 HydrophobicContact CD1-CE1 4.04Å; F41-Y58 HydrophobicContact CE1-CD1 4.32Å; F41-Y58 HydrophobicContact CE1-CE1 4.22Å; F41-V61 HydrophobicContact CE1-CG2 4.16Å; F41-L70 HydrophobicContact CB-CD2 3.85Å; F41-L70 HydrophobicContact CD2-CD2 3.96Å; F41-L70 HydrophobicContact CG-CD2 4.39Å; F41-A80 HydrophobicContact CD2-CB 3.66Å; F41-A80 HydrophobicContact CE2-CB 3.72Å; F41-A80 HydrophobicContact CG-CB 4.48Å
42	R	98.4	Very high	97.4	Very high	56 Å²	56	68.2 Å²	68.2	21%	0.211	36%	0.355	C	S	.	.	H	α-helix	trans	-59	-49.9	174.6	175.5	176.1	-57.1	-176.6	0.8	112.3	I38 K39 Q40 I44 N45 Q46 E55 Y58	I38-R42 WeakPolarHBondContact O-CB 3.36Å; I38-R42 PolarHBondContact O-N 3.24Å; K39-R42 PolarHBondContact O-N 3.17Å; Q40-R42 VanDerWaalsContact C-N 3.3Å; Q40-R42 PolarHBondContact O-N 2.84Å; R42-I44 VanDerWaalsContact C-N 3.34Å; R42-I44 PolarHBondContact O-N 2.9Å; R42-N45 PolarHBondContact O-N 2.9Å; R42-Q46 HydrophobicContact CG-CG 4.33Å; R42-Q46 WeakPolarHBondContact O-CG 3.5Å; R42-Q46 PolarHBondContact O-N 3.39Å; R42-E55 IonicContact CZ-OE1 2.6Å; R42-E55 IonicContact CZ-OE2 3.56Å; R42-E55 IonicContact NH1-OE1 3.15Å; R42-E55 PolarHBondContact NH1-OE1 3.24Å; R42-E55 IonicContact NH1-OE2 2.74Å; R42-E55 PolarHBondContact NH1-OE2 3.12Å; R42-E55 VanDerWaalsContact NH2-CD 3.32Å; R42-E55 IonicContact NH2-OE1 3.12Å; R42-E55 PolarHBondContact NH2-OE1 3.39Å; R42-E55 IonicContact NH2-OE2 3.34Å; R42-E55 PolarHBondContact NH2-OE2 3.28Å; R42-Y58 HydrophobicContact CB-CD1 4.13Å; R42-Y58 HydrophobicContact CB-CE1 3.71Å; R42-Y58 HydrophobicContact CG-CE1 3.98Å; R42-Y58 HydrophobicContact CG-CE2 3.97Å
43	L	98.3	Very high	97.2	Very high	105 Å²	105	64.7 Å²	64.7	55%	0.55	34%	0.337	S	S	.	.	H	α-helix	trans	-58.7	-46.4	-179.3	-177.6	61.1	0	0	0	111.1	K39 Q40 N45 Q46 T47	K39-L43 WeakPolarHBondContact O-CB 3.24Å; K39-L43 PolarHBondContact O-N 3.06Å; Q40-L43 PolarHBondContact O-N 3.23Å; L43-N45 PolarHBondContact O-N 3.22Å; L43-Q46 PolarHBondContact O-N 2.65Å; L43-T47 PolarHBondContact O-N 3.48Å; L43-T47 PolarHBondContact O-OG1 3.36Å
44	I	98.7	Very high	97.2	Very high	7 Å²	7	68.8 Å²	68.8	4%	0.036	36%	0.362	C	S	.	.	H	α-helix	trans	-55.9	-49.5	175.3	-67.3	-62.2	0	0	0	111.2	Q40 F41 R42 Q46 T47 V48 V77 A80 L119	Q40-I44 WeakPolarHBondContact O-CG1 3.3Å; Q40-I44 PolarHBondContact O-N 2.79Å; F41-I44 PolarHBondContact O-N 2.96Å; R42-I44 VanDerWaalsContact C-N 3.34Å; R42-I44 PolarHBondContact O-N 2.9Å; I44-Q46 VanDerWaalsContact C-N 3.34Å; I44-Q46 PolarHBondContact O-N 3.48Å; I44-T47 PolarHBondContact O-N 3.35Å; I44-V48 HydrophobicContact CG2-CG2 4.1Å; I44-V48 VanDerWaalsContact O-CB 3.32Å; I44-V48 WeakPolarHBondContact O-CB 3.09Å; I44-V48 VanDerWaalsContact O-CG2 3.24Å; I44-V48 WeakPolarHBondContact O-CG2 3.41Å; I44-V48 PolarHBondContact O-N 2.97Å; I44-V77 HydrophobicContact CD1-CG1 4.15Å; I44-V77 HydrophobicContact CG1-CG1 3.8Å; I44-A80 HydrophobicContact CB-CB 4.2Å; I44-A80 HydrophobicContact CG2-CB 3.74Å; I44-L119 HydrophobicContact CD1-CD1 4Å; I44-L119 HydrophobicContact CD1-CD2 3.99Å; I44-L119 HydrophobicContact CD1-CG 3.82Å
45	N	98.3	Very high	97.1	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-62.1	-42.4	-179.3	-74.6	-5.9	0	0	0	112.1	F41 R42 L43 T47 V48 F49 Y53	F41-N45 WeakPolarHBondContact CE1-ND2 3.37Å; F41-N45 PolarHBondContact O-N 3.13Å; F41-N45 VanDerWaalsContact O-N 3.12Å; R42-N45 PolarHBondContact O-N 2.9Å; L43-N45 PolarHBondContact O-N 3.22Å; N45-T47 VanDerWaalsContact C-N 3.31Å; N45-T47 PolarHBondContact O-N 3.27Å; N45-V48 PolarHBondContact O-N 3.12Å; N45-F49 HydrophobicContact CB-CD2 4.12Å; N45-F49 HydrophobicContact CB-CE2 4.48Å; N45-F49 WeakPolarHBondContact O-CB 3.39Å; N45-F49 WeakPolarHBondContact O-CD2 3.43Å; N45-F49 PolarHBondContact O-N 2.95Å; N45-Y53 HydrophobicContact CB-CD2 4.49Å
46	Q	97.8	Very high	97.1	Very high	104 Å²	104	74.1 Å²	74.1	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-66.3	-31.8	179.3	-73	176.8	-31.3	0	0	112.9	R42 L43 I44	R42-Q46 HydrophobicContact CG-CG 4.33Å; R42-Q46 WeakPolarHBondContact O-CG 3.5Å; R42-Q46 PolarHBondContact O-N 3.39Å; L43-Q46 PolarHBondContact O-N 2.65Å; I44-Q46 VanDerWaalsContact C-N 3.34Å; I44-Q46 PolarHBondContact O-N 3.48Å
47	T	98.1	Very high	97.1	Very high	91 Å²	91	66.8 Å²	66.8	56%	0.558	34%	0.34	S	S	*	.	H	α-helix	trans	-81.1	-36.4	177.3	-55.9	0	0	0	0	112.4	L43 I44 N45 L119	L43-T47 PolarHBondContact O-N 3.48Å; L43-T47 PolarHBondContact O-OG1 3.36Å; I44-T47 PolarHBondContact O-N 3.35Å; N45-T47 VanDerWaalsContact C-N 3.31Å; N45-T47 PolarHBondContact O-N 3.27Å; T47-L119 HydrophobicContact CG2-CD2 3.59Å
48	V	98	Very high	97.2	Very high	26 Å²	26	66.1 Å²	66.1	16%	0.158	34%	0.336	C	S	.	.	H	α-helix	trans	-89	-34.2	-170.9	176.9	0	0	0	0	112.8	I44 N45 L119	I44-V48 HydrophobicContact CG2-CG2 4.1Å; I44-V48 VanDerWaalsContact O-CB 3.32Å; I44-V48 WeakPolarHBondContact O-CB 3.09Å; I44-V48 VanDerWaalsContact O-CG2 3.24Å; I44-V48 WeakPolarHBondContact O-CG2 3.41Å; I44-V48 PolarHBondContact O-N 2.97Å; N45-V48 PolarHBondContact O-N 3.12Å; V48-L119 HydrophobicContact CG2-CD2 4.13Å
49	F	96.5	Very high	97.1	Very high	44 Å²	44	67.8 Å²	67.8	19%	0.193	35%	0.349	C	S	.	.			trans	-104.8	137.6	-175.2	-59	-72.8	0	0	0	112	N45 V51 Y53 T115	N45-F49 HydrophobicContact CB-CD2 4.12Å; N45-F49 HydrophobicContact CB-CE2 4.48Å; N45-F49 WeakPolarHBondContact O-CB 3.39Å; N45-F49 WeakPolarHBondContact O-CD2 3.43Å; N45-F49 PolarHBondContact O-N 2.95Å; F49-V51 HydrophobicContact CB-CG2 4.07Å; F49-V51 PolarHBondContact O-N 3.09Å; F49-Y53 HydrophobicContact CB-CE2 4.4Å; F49-Y53 HydrophobicContact CD2-CE2 4.27Å; F49-Y53 HydrophobicContact CG-CE2 4.46Å; F49-T115 HydrophobicContact CD2-CG2 4.26Å; F49-T115 HydrophobicContact CE2-CG2 3.86Å; F49-T115 HydrophobicContact CZ-CG2 4.3Å
50	P	92.8	Very high	97.1	Very high	98 Å²	98	62.4 Å²	62.4	64%	0.636	33%	0.329	S	S	*	.	S	Bend	trans	-76.9	18.9	175.7	34.2	-38.1	0	0	0	113.3	I181	P50-I181 HydrophobicContact CB-CD1 3.5Å; P50-I181 VanDerWaalsContact CB-CD1 3.5Å; P50-I181 HydrophobicContact CB-CG1 4.33Å; P50-I181 HydrophobicContact CG-CD1 3.31Å
51	V	92.7	Very high	97	Very high	46 Å²	46	58.3 Å²	58.3	28%	0.279	31%	0.31	S	S	.	.	S	Bend	trans	-128.1	145.7	179.9	-62.7	0	0	0	0	110.6	F49 Y53 Y178 I181	F49-V51 HydrophobicContact CB-CG2 4.07Å; F49-V51 PolarHBondContact O-N 3.09Å; V51-Y53 HydrophobicContact CG2-CD2 4.44Å; V51-Y53 HydrophobicContact CG2-CE2 3.74Å; V51-Y178 HydrophobicContact CG1-CD1 3.86Å; V51-Y178 HydrophobicContact CG1-CE1 4.23Å; V51-I181 HydrophobicContact CG1-CD1 4.09Å
52	T	93.6	Very high	96.9	Very high	110 Å²	110	60.9 Å²	60.9	68%	0.675	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-94.2	122.2	177.5	-48.7	0	0	0	0	110.3
53	Y	95.7	Very high	96.9	Very high	56 Å²	56	65.9 Å²	65.9	22%	0.22	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-86.4	147.5	171.1	-67.9	-92.1	0	0	0	111	N45 F49 V51 F57 M114 T115	N45-Y53 HydrophobicContact CB-CD2 4.49Å; F49-Y53 HydrophobicContact CB-CE2 4.4Å; F49-Y53 HydrophobicContact CD2-CE2 4.27Å; F49-Y53 HydrophobicContact CG-CE2 4.46Å; V51-Y53 HydrophobicContact CG2-CD2 4.44Å; V51-Y53 HydrophobicContact CG2-CE2 3.74Å; Y53-F57 HydrophobicContact CD1-CB 4.38Å; Y53-F57 AromaticContact CD1-CD1 3.71Å; Y53-F57 HydrophobicContact CD1-CD1 3.71Å; Y53-F57 AromaticContact CD1-CD2 3.72Å; Y53-F57 HydrophobicContact CD1-CD2 3.72Å; Y53-F57 AromaticContact CD1-CE1 3.81Å; Y53-F57 HydrophobicContact CD1-CE1 3.81Å; Y53-F57 AromaticContact CD1-CE2 3.83Å; Y53-F57 HydrophobicContact CD1-CE2 3.83Å; Y53-F57 AromaticContact CD1-CG 3.66Å; Y53-F57 HydrophobicContact CD1-CG 3.66Å; Y53-F57 AromaticContact CD1-CZ 3.87Å; Y53-F57 HydrophobicContact CD1-CZ 3.87Å; Y53-F57 HydrophobicContact CE1-CD2 4.28Å; Y53-F57 HydrophobicContact CE1-CE1 4.44Å; Y53-F57 HydrophobicContact CE1-CE2 4.01Å; Y53-F57 HydrophobicContact CE1-CZ 4.09Å; Y53-F57 AromaticContact CG-CD1 3.79Å; Y53-F57 HydrophobicContact CG-CD1 3.79Å; Y53-F57 AromaticContact CG-CE1 3.91Å; Y53-F57 HydrophobicContact CG-CE1 3.91Å; Y53-F57 HydrophobicContact CG-CG 4.15Å; Y53-F57 HydrophobicContact CG-CZ 4.38Å; Y53-M114 PolarHBondContact OH-O 3.2Å; Y53-T115 HydrophobicContact CE1-CG2 3.98Å; Y53-T115 HydrophobicContact CE2-CG2 3.79Å; Y53-T115 VanDerWaalsContact CZ-CG2 3.42Å; Y53-T115 VanDerWaalsContact OH-CG2 3.29Å; Y53-T115 WeakPolarHBondContact OH-CG2 3.49Å
54	T	96.7	Very high	96.7	Very high	90 Å²	90	65.7 Å²	65.7	55%	0.552	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-80.1	163.1	-178.2	63.8	0	0	0	0	112.4	K56 F57 Y58	T54-K56 PolarHBondContact O-N 3.27Å; T54-F57 WeakPolarHBondContact O-CB 3.26Å; T54-F57 PolarHBondContact O-N 2.95Å; T54-F57 VanDerWaalsContact O-N 3.09Å; T54-F57 PolarHBondContact OG1-N 2.95Å; T54-Y58 WeakPolarHBondContact O-CD2 3.48Å; T54-Y58 PolarHBondContact O-N 3.19Å
55	E	97.5	Very high	96.6	Very high	111 Å²	111	67.3 Å²	67.3	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-58.3	-33	171.3	-71	-59.3	139.9	0	0	112.8	R42 F57 Y58 S59	R42-E55 IonicContact CZ-OE1 2.6Å; R42-E55 IonicContact CZ-OE2 3.56Å; R42-E55 IonicContact NH1-OE1 3.15Å; R42-E55 PolarHBondContact NH1-OE1 3.24Å; R42-E55 IonicContact NH1-OE2 2.74Å; R42-E55 PolarHBondContact NH1-OE2 3.12Å; R42-E55 VanDerWaalsContact NH2-CD 3.32Å; R42-E55 IonicContact NH2-OE1 3.12Å; R42-E55 PolarHBondContact NH2-OE1 3.39Å; R42-E55 IonicContact NH2-OE2 3.34Å; R42-E55 PolarHBondContact NH2-OE2 3.28Å; E55-F57 VanDerWaalsContact C-N 3.35Å; E55-F57 PolarHBondContact O-N 3.45Å; E55-Y58 PolarHBondContact O-N 3.42Å; E55-S59 WeakPolarHBondContact O-CB 3.34Å; E55-S59 PolarHBondContact O-N 3.02Å; E55-S59 PolarHBondContact O-OG 2.73Å
56	K	98	Very high	96.5	Very high	134 Å²	134	75.8 Å²	75.8	58%	0.583	40%	0.395	S	S	*	.	H	α-helix	trans	-60.7	-44	174.5	-168.7	-168.4	-176.7	-50.6	0	111.3	T54 Y58 S59 D60	T54-K56 PolarHBondContact O-N 3.27Å; K56-Y58 VanDerWaalsContact C-N 3.34Å; K56-Y58 PolarHBondContact O-N 2.9Å; K56-S59 PolarHBondContact O-N 3.45Å; K56-D60 VanDerWaalsContact NZ-CG 3.26Å; K56-D60 IonicContact NZ-OD1 2.6Å; K56-D60 PolarHBondContact NZ-OD1 2.82Å; K56-D60 VanDerWaalsContact NZ-OD1 3.12Å; K56-D60 IonicContact NZ-OD2 3.69Å; K56-D60 PolarHBondContact NZ-OD2 2.85Å; K56-D60 WeakPolarHBondContact O-CB 3.44Å; K56-D60 PolarHBondContact O-N 3.15Å
57	F	98	Very high	96.5	Very high	24 Å²	24	73.1 Å²	73.1	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-56.2	-48.8	175.6	167.6	-95.1	0	0	0	111.1	F41 Y53 T54 E55 S59 D60 V61 M114 T115	F41-F57 HydrophobicContact CE1-CE1 4.03Å; F41-F57 HydrophobicContact CE1-CZ 4.42Å; Y53-F57 HydrophobicContact CD1-CB 4.38Å; Y53-F57 AromaticContact CD1-CD1 3.71Å; Y53-F57 HydrophobicContact CD1-CD1 3.71Å; Y53-F57 AromaticContact CD1-CD2 3.72Å; Y53-F57 HydrophobicContact CD1-CD2 3.72Å; Y53-F57 AromaticContact CD1-CE1 3.81Å; Y53-F57 HydrophobicContact CD1-CE1 3.81Å; Y53-F57 AromaticContact CD1-CE2 3.83Å; Y53-F57 HydrophobicContact CD1-CE2 3.83Å; Y53-F57 AromaticContact CD1-CG 3.66Å; Y53-F57 HydrophobicContact CD1-CG 3.66Å; Y53-F57 AromaticContact CD1-CZ 3.87Å; Y53-F57 HydrophobicContact CD1-CZ 3.87Å; Y53-F57 HydrophobicContact CE1-CD2 4.28Å; Y53-F57 HydrophobicContact CE1-CE1 4.44Å; Y53-F57 HydrophobicContact CE1-CE2 4.01Å; Y53-F57 HydrophobicContact CE1-CZ 4.09Å; Y53-F57 AromaticContact CG-CD1 3.79Å; Y53-F57 HydrophobicContact CG-CD1 3.79Å; Y53-F57 AromaticContact CG-CE1 3.91Å; Y53-F57 HydrophobicContact CG-CE1 3.91Å; Y53-F57 HydrophobicContact CG-CG 4.15Å; Y53-F57 HydrophobicContact CG-CZ 4.38Å; T54-F57 WeakPolarHBondContact O-CB 3.26Å; T54-F57 PolarHBondContact O-N 2.95Å; T54-F57 VanDerWaalsContact O-N 3.09Å; T54-F57 PolarHBondContact OG1-N 2.95Å; E55-F57 VanDerWaalsContact C-N 3.35Å; E55-F57 PolarHBondContact O-N 3.45Å; F57-S59 VanDerWaalsContact C-N 3.3Å; F57-S59 PolarHBondContact O-N 3Å; F57-D60 PolarHBondContact O-N 3.01Å; F57-V61 HydrophobicContact CD2-CG1 4.25Å; F57-V61 HydrophobicContact CE1-CG1 4.21Å; F57-V61 HydrophobicContact CE2-CG1 3.82Å; F57-V61 HydrophobicContact CZ-CG1 3.8Å; F57-V61 WeakPolarHBondContact O-CG1 3.49Å; F57-V61 WeakPolarHBondContact O-CG2 3.43Å; F57-V61 PolarHBondContact O-N 3.06Å; F57-M114 HydrophobicContact CE2-CB 4.19Å; F57-M114 HydrophobicContact CE2-SD 4.11Å; F57-T115 HydrophobicContact CZ-CG2 4Å
58	Y	98.1	Very high	96.5	Very high	5 Å²	5	68.9 Å²	68.9	2%	0.02	36%	0.357	C	S	.	.	H	α-helix	trans	-64.9	-33.9	179.1	-64.9	-66.4	0	0	0	113	I38 F41 R42 T54 E55 K56 V61 L62	I38-Y58 HydrophobicContact CD1-CD1 4.49Å; F41-Y58 HydrophobicContact CD1-CD1 4.08Å; F41-Y58 HydrophobicContact CD1-CE1 4.04Å; F41-Y58 HydrophobicContact CE1-CD1 4.32Å; F41-Y58 HydrophobicContact CE1-CE1 4.22Å; R42-Y58 HydrophobicContact CB-CD1 4.13Å; R42-Y58 HydrophobicContact CB-CE1 3.71Å; R42-Y58 HydrophobicContact CG-CE1 3.98Å; R42-Y58 HydrophobicContact CG-CE2 3.97Å; T54-Y58 WeakPolarHBondContact O-CD2 3.48Å; T54-Y58 PolarHBondContact O-N 3.19Å; E55-Y58 PolarHBondContact O-N 3.42Å; K56-Y58 VanDerWaalsContact C-N 3.34Å; K56-Y58 PolarHBondContact O-N 2.9Å; Y58-V61 WeakPolarHBondContact O-CG2 3.5Å; Y58-L62 WeakPolarHBondContact O-CB 3.22Å; Y58-L62 PolarHBondContact O-N 3.04Å
59	S	97.5	Very high	96.5	Very high	58 Å²	58	70.3 Å²	70.3	41%	0.406	36%	0.36	S	S	.	.	H	α-helix	trans	-69.2	-40.5	174.4	-56.9	0	0	0	0	111.9	E55 K56 F57 L62 K63	E55-S59 WeakPolarHBondContact O-CB 3.34Å; E55-S59 PolarHBondContact O-N 3.02Å; E55-S59 PolarHBondContact O-OG 2.73Å; K56-S59 PolarHBondContact O-N 3.45Å; F57-S59 VanDerWaalsContact C-N 3.3Å; F57-S59 PolarHBondContact O-N 3Å; S59-L62 PolarHBondContact O-N 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.45Å; S59-K63 PolarHBondContact O-N 3.39Å
60	D	97.5	Very high	96.6	Very high	55 Å²	55	68.2 Å²	68.2	29%	0.294	35%	0.351	S	S	.	.	H	α-helix	trans	-70.5	-39.9	-179.6	-68	-20	0	0	0	112.2	K56 F57 L62 K63 N64	K56-D60 VanDerWaalsContact NZ-CG 3.26Å; K56-D60 IonicContact NZ-OD1 2.6Å; K56-D60 PolarHBondContact NZ-OD1 2.82Å; K56-D60 VanDerWaalsContact NZ-OD1 3.12Å; K56-D60 IonicContact NZ-OD2 3.69Å; K56-D60 PolarHBondContact NZ-OD2 2.85Å; K56-D60 WeakPolarHBondContact O-CB 3.44Å; K56-D60 PolarHBondContact O-N 3.15Å; F57-D60 PolarHBondContact O-N 3.01Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 3.33Å; D60-K63 PolarHBondContact O-N 2.91Å; D60-N64 PolarHBondContact O-N 3.26Å; D60-N64 VanDerWaalsContact O-N 3.15Å; D60-N64 PolarHBondContact O-ND2 2.84Å
61	V	97	Very high	96.9	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.03	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-32.4	175.1	-62.2	0	0	0	0	111.7	L33 I38 F41 F57 Y58 N64 S65 M114	L33-V61 HydrophobicContact CD2-CB 4.33Å; L33-V61 HydrophobicContact CD2-CG2 4.09Å; I38-V61 HydrophobicContact CD1-CG2 4.13Å; F41-V61 HydrophobicContact CE1-CG2 4.16Å; F57-V61 HydrophobicContact CD2-CG1 4.25Å; F57-V61 HydrophobicContact CE1-CG1 4.21Å; F57-V61 HydrophobicContact CE2-CG1 3.82Å; F57-V61 HydrophobicContact CZ-CG1 3.8Å; F57-V61 WeakPolarHBondContact O-CG1 3.49Å; F57-V61 WeakPolarHBondContact O-CG2 3.43Å; F57-V61 PolarHBondContact O-N 3.06Å; Y58-V61 WeakPolarHBondContact O-CG2 3.5Å; V61-N64 CarbonylContact O-C 3.5Å; V61-N64 PolarHBondContact O-N 2.87Å; V61-S65 VanDerWaalsContact O-CA 3.3Å; V61-S65 WeakPolarHBondContact O-CA 3.13Å; V61-S65 PolarHBondContact O-N 3.22Å; V61-M114 HydrophobicContact CG1-CE 4.32Å
62	L	96.5	Very high	97.2	Very high	54 Å²	54	63.5 Å²	63.5	28%	0.283	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-37.7	175.8	-172.4	61	0	0	0	111.8	P35 Y58 S59 D60 N64 S65	P35-L62 HydrophobicContact CB-CD2 4.32Å; P35-L62 HydrophobicContact CG-CD1 4.06Å; P35-L62 HydrophobicContact CG-CD2 4.27Å; Y58-L62 WeakPolarHBondContact O-CB 3.22Å; Y58-L62 PolarHBondContact O-N 3.04Å; S59-L62 PolarHBondContact O-N 3.47Å; D60-L62 VanDerWaalsContact C-N 3.29Å; D60-L62 PolarHBondContact O-N 3.33Å; L62-N64 PolarHBondContact O-N 3.19Å; L62-S65 PolarHBondContact O-N 3.46Å
63	K	96.9	Very high	97.4	Very high	160 Å²	160	59.3 Å²	59.3	70%	0.696	29%	0.288	S	S	*	.	H	α-helix	trans	-64	-28.6	171.8	-69.2	172.4	-177.9	176	0	112.7	S59 D60	S59-K63 WeakPolarHBondContact O-CG 3.45Å; S59-K63 PolarHBondContact O-N 3.39Å; D60-K63 PolarHBondContact O-N 2.91Å
64	N	95.5	Very high	97.3	Very high	101 Å²	101	59.6 Å²	59.6	54%	0.54	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	37.3	-179.9	-62.8	-80.5	0	0	0	112	D60 V61 L62 K66 M67	D60-N64 PolarHBondContact O-N 3.26Å; D60-N64 VanDerWaalsContact O-N 3.15Å; D60-N64 PolarHBondContact O-ND2 2.84Å; V61-N64 CarbonylContact O-C 3.5Å; V61-N64 PolarHBondContact O-N 2.87Å; L62-N64 PolarHBondContact O-N 3.19Å; N64-K66 PolarHBondContact O-N 3.19Å; N64-M67 PolarHBondContact O-N 2.81Å
65	S	96	Very high	97.2	Very high	41 Å²	41	60.9 Å²	60.9	29%	0.287	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-58.8	-22.7	-170	61.2	0	0	0	0	114.7	L33 V61 L62 M67 C68	L33-S65 WeakPolarHBondContact O-CB 3.4Å; V61-S65 VanDerWaalsContact O-CA 3.3Å; V61-S65 WeakPolarHBondContact O-CA 3.13Å; V61-S65 PolarHBondContact O-N 3.22Å; L62-S65 PolarHBondContact O-N 3.46Å; S65-M67 PolarHBondContact O-N 3.43Å; S65-C68 PolarHBondContact O-N 3.39Å; S65-C68 VanDerWaalsContact O-N 3.09Å; S65-C68 VanDerWaalsContact O-O 3.12Å
66	K	95.7	Very high	97.1	Very high	178 Å²	178	60.3 Å²	60.3	77%	0.774	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-60.5	-27.4	173.9	-65.8	-176.2	-179.5	179.1	0	113.2	N64 C68	N64-K66 PolarHBondContact O-N 3.19Å; K66-C68 VanDerWaalsContact C-N 3.3Å
67	M	97.7	Very high	97.1	Very high	49 Å²	49	54.8 Å²	54.8	24%	0.241	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-96.2	22.9	177.7	-55.5	-63.4	176.8	0	0	112.2	N64 S65 S82 Y83 I85	N64-M67 PolarHBondContact O-N 2.81Å; S65-M67 PolarHBondContact O-N 3.43Å; M67-S82 WeakPolarHBondContact O-CA 3.46Å; M67-Y83 HydrophobicContact CB-CD2 4.1Å; M67-Y83 HydrophobicContact CB-CE1 4.41Å; M67-Y83 HydrophobicContact CB-CE2 4.01Å; M67-Y83 HydrophobicContact CB-CG 4.36Å; M67-Y83 WeakPolarHBondContact CB-O 3.15Å; M67-Y83 HydrophobicContact CG-CE2 4.26Å; M67-Y83 WeakPolarHBondContact O-CD1 3.18Å; M67-Y83 VanDerWaalsContact O-CE1 3.24Å; M67-Y83 WeakPolarHBondContact O-CE1 3.48Å; M67-Y83 PolarHBondContact O-N 2.93Å; M67-Y83 HydrophobicContact SD-CD2 3.97Å; M67-Y83 HydrophobicContact SD-CE2 3.3Å; M67-Y83 WeakPolarHBondContact SD-CE2 3.29Å; M67-I85 HydrophobicContact CE-CD1 4Å
68	C	98.4	Very high	97.2	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144	179.2	-59.5	0	0	0	0	110.7	L33 S65 K66 V81 S82	L33-C68 HydrophobicContact CB-CB 3.83Å; L33-C68 HydrophobicContact CD2-CB 3.61Å; L33-C68 HydrophobicContact CG-CB 4.35Å; S65-C68 PolarHBondContact O-N 3.39Å; S65-C68 VanDerWaalsContact O-N 3.09Å; S65-C68 VanDerWaalsContact O-O 3.12Å; K66-C68 VanDerWaalsContact C-N 3.3Å; C68-V81 CarbonylContact C-O 3.57Å; C68-V81 VanDerWaalsContact CA-O 3.25Å; C68-V81 WeakPolarHBondContact CA-O 3.43Å; C68-S82 VanDerWaalsContact SG-CB 3.55Å
69	R	98.7	Very high	97.2	Very high	56 Å²	56	53.4 Å²	53.4	21%	0.211	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.8	172.1	-62.9	-66.4	172.7	157.9	-4.6	111.2	L30 G31 A80 V81 H134	L30-R69 HydrophobicContact CB-CB 4.23Å; L30-R69 HydrophobicContact CB-CG 4.3Å; L30-R69 HydrophobicContact CD1-CB 4.49Å; L30-R69 HydrophobicContact CD1-CG 4.36Å; L30-R69 HydrophobicContact CD2-CB 4.39Å; G31-R69 WeakPolarHBondContact O-CA 3.45Å; G31-R69 VanDerWaalsContact O-CD 3.3Å; G31-R69 WeakPolarHBondContact O-CD 3.48Å; R69-A80 WeakPolarHBondContact O-CA 3.48Å; R69-V81 HydrophobicContact CB-CG1 3.84Å; R69-V81 PolarHBondContact N-O 3.27Å; R69-V81 PolarHBondContact O-N 3.47Å; R69-H134 VanDerWaalsContact CG-NE2 3.34Å; R69-H134 WeakPolarHBondContact CG-NE2 3.43Å
70	L	98.8	Very high	97.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.3	161.1	-70.8	174.7	0	0	0	108.3	L30 G31 N37 F41 Y72 V77 A80	L30-L70 CarbonylContact C-O 3.52Å; L30-L70 VanDerWaalsContact CA-O 3.31Å; L30-L70 WeakPolarHBondContact CA-O 3.48Å; G31-L70 PolarHBondContact N-O 3.15Å; G31-L70 PolarHBondContact O-N 3.35Å; N37-L70 HydrophobicContact CB-CD1 3.86Å; N37-L70 VanDerWaalsContact CG-CD1 3.49Å; F41-L70 HydrophobicContact CB-CD2 3.85Å; F41-L70 HydrophobicContact CD2-CD2 3.96Å; F41-L70 HydrophobicContact CG-CD2 4.39Å; L70-Y72 HydrophobicContact CB-CD2 4.34Å; L70-Y72 HydrophobicContact CB-CE2 3.6Å; L70-V77 HydrophobicContact CB-CG1 4.39Å; L70-V77 HydrophobicContact CD1-CG1 4.5Å; L70-V77 HydrophobicContact CD1-CG2 4.27Å; L70-V77 HydrophobicContact CD2-CG1 3.79Å; L70-V77 HydrophobicContact CG-CG1 4.45Å; L70-A80 HydrophobicContact CD2-CB 4.07Å
71	A	98.7	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.2	173.1	0	0	0	0	0	109.8	E29 L30 V78 G79 V127 M131	E29-A71 WeakPolarHBondContact O-CA 3.39Å; L30-A71 HydrophobicContact CD2-CB 3.82Å; A71-V78 PolarHBondContact O-N 2.83Å; A71-G79 PolarHBondContact N-O 2.94Å; A71-G79 PolarHBondContact O-N 3.32Å; A71-V127 HydrophobicContact CB-CG1 3.63Å; A71-M131 HydrophobicContact CB-CG 4Å; A71-M131 HydrophobicContact CB-SD 3.81Å
72	Y	98.5	Very high	97.4	Very high	45 Å²	45	47.8 Å²	47.8	18%	0.176	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.8	-179.9	-64.8	-103.7	0	0	0	109.4	I28 E29 L70 I76 V77	I28-Y72 VanDerWaalsContact CA-O 3.26Å; I28-Y72 WeakPolarHBondContact CA-O 3.33Å; I28-Y72 WeakPolarHBondContact CG2-O 3.31Å; E29-Y72 PolarHBondContact N-O 2.75Å; E29-Y72 PolarHBondContact O-N 2.84Å; L70-Y72 HydrophobicContact CB-CD2 4.34Å; L70-Y72 HydrophobicContact CB-CE2 3.6Å; Y72-I76 CarbonylContact C-O 3.49Å; Y72-I76 WeakPolarHBondContact CA-O 3.3Å; Y72-V77 HydrophobicContact CD1-CG2 3.81Å; Y72-V77 HydrophobicContact CE1-CG2 3.28Å; Y72-V77 HydrophobicContact CE2-CG2 4.33Å
73	F	97.4	Very high	97.5	Very high	21 Å²	21	45.5 Å²	45.5	9%	0.092	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.7	169.7	-175.3	-72.5	0	0	0	107.1	K26 K27 I28 D75 I76 V78 Y122 Y125 V127	K26-F73 HydrophobicContact CB-CE2 4.24Å; K26-F73 HydrophobicContact CB-CZ 4.02Å; K26-F73 HydrophobicContact CD-CZ 4.12Å; K26-F73 HydrophobicContact CG-CE2 4.43Å; K26-F73 HydrophobicContact CG-CZ 3.83Å; K27-F73 WeakPolarHBondContact O-CA 3.15Å; I28-F73 HydrophobicContact CD1-CD2 4.01Å; I28-F73 HydrophobicContact CD1-CE2 4.24Å; I28-F73 HydrophobicContact CG1-CD2 3.77Å; I28-F73 HydrophobicContact CG1-CE2 4.22Å; F73-D75 VanDerWaalsContact C-N 3.29Å; F73-D75 PolarHBondContact O-N 3.37Å; F73-I76 PolarHBondContact N-O 3Å; F73-I76 PolarHBondContact O-N 3.15Å; F73-I76 VanDerWaalsContact O-N 3.13Å; F73-V78 HydrophobicContact CB-CB 4.42Å; F73-V78 HydrophobicContact CB-CG1 3.97Å; F73-V78 HydrophobicContact CB-CG2 3.59Å; F73-Y122 HydrophobicContact CB-CD1 3.94Å; F73-Y122 HydrophobicContact CB-CE1 4.11Å; F73-Y122 AromaticContact CD1-CD1 3.96Å; F73-Y122 HydrophobicContact CD1-CD1 3.96Å; F73-Y122 AromaticContact CD1-CE1 3.75Å; F73-Y122 HydrophobicContact CD1-CE1 3.75Å; F73-Y122 AromaticContact CD2-CD1 3.98Å; F73-Y122 HydrophobicContact CD2-CD1 3.98Å; F73-Y122 HydrophobicContact CE1-CD1 4.48Å; F73-Y122 HydrophobicContact CE1-CE1 4.33Å; F73-Y122 AromaticContact CG-CD1 3.69Å; F73-Y122 HydrophobicContact CG-CD1 3.69Å; F73-Y122 AromaticContact CG-CE1 3.91Å; F73-Y122 HydrophobicContact CG-CE1 3.91Å; F73-Y125 HydrophobicContact CE2-CD2 4.1Å; F73-Y125 AromaticContact CE2-CG 3.94Å; F73-Y125 HydrophobicContact CE2-CG 3.94Å; F73-V127 HydrophobicContact CD2-CG2 4.46Å
74	N	94.7	Very high	97.5	Very high	62 Å²	62	42.7 Å²	42.7	33%	0.332	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	55	-172	-63.3	-6.9	0	0	0	111.5	Y25 K27 I76	Y25-N74 PolarHBondContact O-ND2 3.24Å; Y25-N74 PolarHBondContact O-OD1 2.95Å; K27-N74 PolarHBondContact N-OD1 3.31Å; K27-N74 PolarHBondContact O-N 3.42Å; K27-N74 PolarHBondContact O-OD1 3.42Å; N74-I76 PolarHBondContact O-N 3.21Å; N74-I76 VanDerWaalsContact O-N 3.09Å
75	D	93.6	Very high	97.6	Very high	118 Å²	118	40.4 Å²	40.4	63%	0.631	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	1.7	177.8	-46.7	-46.4	0	0	0	116.5	F73	F73-D75 VanDerWaalsContact C-N 3.29Å; F73-D75 PolarHBondContact O-N 3.37Å
76	I	96.4	Very high	97.7	Very high	98 Å²	98	40.2 Å²	40.2	50%	0.503	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131	174.9	-58.1	174.2	0	0	0	109.7	Y72 F73 N74 V78	Y72-I76 CarbonylContact C-O 3.49Å; Y72-I76 WeakPolarHBondContact CA-O 3.3Å; F73-I76 PolarHBondContact N-O 3Å; F73-I76 PolarHBondContact O-N 3.15Å; F73-I76 VanDerWaalsContact O-N 3.13Å; N74-I76 PolarHBondContact O-N 3.21Å; N74-I76 VanDerWaalsContact O-N 3.09Å; I76-V78 HydrophobicContact CB-CG1 4.41Å; I76-V78 HydrophobicContact CG2-CG1 4.11Å; I76-V78 WeakPolarHBondContact O-CG1 3.25Å; I76-V78 PolarHBondContact O-N 2.99Å
77	V	98.3	Very high	97.7	Very high	19 Å²	19	36.9 Å²	36.9	12%	0.115	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	116.9	172.3	179.9	0	0	0	0	109.8	Q40 I44 L70 Y72	Q40-V77 HydrophobicContact CB-CG1 4.41Å; Q40-V77 HydrophobicContact CB-CG2 4.47Å; I44-V77 HydrophobicContact CD1-CG1 4.15Å; I44-V77 HydrophobicContact CG1-CG1 3.8Å; L70-V77 HydrophobicContact CB-CG1 4.39Å; L70-V77 HydrophobicContact CD1-CG1 4.5Å; L70-V77 HydrophobicContact CD1-CG2 4.27Å; L70-V77 HydrophobicContact CD2-CG1 3.79Å; L70-V77 HydrophobicContact CG-CG1 4.45Å; Y72-V77 HydrophobicContact CD1-CG2 3.81Å; Y72-V77 HydrophobicContact CE1-CG2 3.28Å; Y72-V77 HydrophobicContact CE2-CG2 4.33Å
78	V	98.6	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-8.2	-177	-62.1	0	0	0	0	113.7	A71 F73 I76 C118 L119 Y122 V127	A71-V78 PolarHBondContact O-N 2.83Å; F73-V78 HydrophobicContact CB-CB 4.42Å; F73-V78 HydrophobicContact CB-CG1 3.97Å; F73-V78 HydrophobicContact CB-CG2 3.59Å; I76-V78 HydrophobicContact CB-CG1 4.41Å; I76-V78 HydrophobicContact CG2-CG1 4.11Å; I76-V78 WeakPolarHBondContact O-CG1 3.25Å; I76-V78 PolarHBondContact O-N 2.99Å; V78-C118 CarbonylContact O-C 3.55Å; V78-C118 WeakPolarHBondContact O-CA 3.34Å; V78-C118 VanDerWaalsContact O-CB 3.29Å; V78-C118 WeakPolarHBondContact O-CB 3Å; V78-L119 HydrophobicContact CB-CD1 4.49Å; V78-L119 WeakPolarHBondContact O-CG 3.48Å; V78-L119 PolarHBondContact O-N 2.94Å; V78-Y122 HydrophobicContact CB-CD1 4.14Å; V78-Y122 HydrophobicContact CB-CD2 3.82Å; V78-Y122 HydrophobicContact CB-CE2 4.21Å; V78-Y122 HydrophobicContact CB-CG 3.75Å; V78-Y122 HydrophobicContact CG1-CD1 3.66Å; V78-Y122 HydrophobicContact CG1-CD2 3.6Å; V78-Y122 HydrophobicContact CG1-CE1 3.56Å; V78-Y122 HydrophobicContact CG1-CE2 3.49Å; V78-Y122 VanDerWaalsContact CG1-CE2 3.49Å; V78-Y122 HydrophobicContact CG1-CG 3.66Å; V78-Y122 VanDerWaalsContact CG1-CZ 3.45Å; V78-Y122 HydrophobicContact CG2-CD1 4.34Å; V78-Y122 HydrophobicContact CG2-CG 4.21Å; V78-V127 HydrophobicContact CG2-CG1 4.2Å; V78-V127 HydrophobicContact CG2-CG2 4.19Å
79	G	98.8	Very high	97.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	167.8	179.2	0	0	0	0	0	112.5	A71 G117	A71-G79 PolarHBondContact N-O 2.94Å; A71-G79 PolarHBondContact O-N 3.32Å; G79-G117 CarbonylContact C-O 3.51Å; G79-G117 WeakPolarHBondContact CA-O 3.49Å
80	A	98.9	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	147.9	178.5	0	0	0	0	0	110.5	F41 I44 R69 L70 G117	F41-A80 HydrophobicContact CD2-CB 3.66Å; F41-A80 HydrophobicContact CE2-CB 3.72Å; F41-A80 HydrophobicContact CG-CB 4.48Å; I44-A80 HydrophobicContact CB-CB 4.2Å; I44-A80 HydrophobicContact CG2-CB 3.74Å; R69-A80 WeakPolarHBondContact O-CA 3.48Å; L70-A80 HydrophobicContact CD2-CB 4.07Å; A80-G117 PolarHBondContact N-O 3.09Å; A80-G117 PolarHBondContact O-N 3.27Å
81	V	98.8	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139	171.9	60.6	0	0	0	0	109.9	C68 R69 Y83 T115 L116 M131 V135	C68-V81 CarbonylContact C-O 3.57Å; C68-V81 VanDerWaalsContact CA-O 3.25Å; C68-V81 WeakPolarHBondContact CA-O 3.43Å; R69-V81 HydrophobicContact CB-CG1 3.84Å; R69-V81 PolarHBondContact N-O 3.27Å; R69-V81 PolarHBondContact O-N 3.47Å; V81-Y83 HydrophobicContact CG2-CD1 4.27Å; V81-T115 CarbonylContact C-O 3.48Å; V81-T115 VanDerWaalsContact CA-O 3.25Å; V81-T115 WeakPolarHBondContact CA-O 3.24Å; V81-T115 WeakPolarHBondContact CG2-O 3.07Å; V81-L116 HydrophobicContact CB-CB 4.48Å; V81-L116 HydrophobicContact CB-CG 4.28Å; V81-L116 HydrophobicContact CG2-CB 4.02Å; V81-L116 HydrophobicContact CG2-CD1 3.94Å; V81-L116 HydrophobicContact CG2-CG 3.99Å; V81-M131 HydrophobicContact CB-CB 4.06Å; V81-M131 HydrophobicContact CB-CG 4.28Å; V81-M131 HydrophobicContact CB-SD 3.99Å; V81-M131 HydrophobicContact CG1-CB 3.94Å; V81-M131 HydrophobicContact CG1-CG 3.99Å; V81-M131 HydrophobicContact CG1-SD 4.17Å; V81-V135 HydrophobicContact CG2-CG2 3.66Å
82	S	98.7	Very high	94.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.3	167.4	64.9	0	0	0	0	110.8	M67 C68 M114 T115	M67-S82 WeakPolarHBondContact O-CA 3.46Å; C68-S82 VanDerWaalsContact SG-CB 3.55Å; S82-M114 PolarHBondContact O-N 3.09Å; S82-T115 PolarHBondContact N-O 2.93Å; S82-T115 PolarHBondContact N-OG1 3.35Å; S82-T115 PolarHBondContact O-N 2.73Å; S82-T115 PolarHBondContact OG-OG1 3.07Å
83	Y	98.7	Very high	92.5	Very high	5 Å²	5	56.4 Å²	56.4	2%	0.02	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	165.4	-179.5	56.8	-78.9	0	0	0	109.9	M67 V81 Y112 M114 H134 V135 S138	M67-Y83 HydrophobicContact CB-CD2 4.1Å; M67-Y83 HydrophobicContact CB-CE1 4.41Å; M67-Y83 HydrophobicContact CB-CE2 4.01Å; M67-Y83 HydrophobicContact CB-CG 4.36Å; M67-Y83 WeakPolarHBondContact CB-O 3.15Å; M67-Y83 HydrophobicContact CG-CE2 4.26Å; M67-Y83 WeakPolarHBondContact O-CD1 3.18Å; M67-Y83 VanDerWaalsContact O-CE1 3.24Å; M67-Y83 WeakPolarHBondContact O-CE1 3.48Å; M67-Y83 PolarHBondContact O-N 2.93Å; M67-Y83 HydrophobicContact SD-CD2 3.97Å; M67-Y83 HydrophobicContact SD-CE2 3.3Å; M67-Y83 WeakPolarHBondContact SD-CE2 3.29Å; V81-Y83 HydrophobicContact CG2-CD1 4.27Å; Y83-Y112 CarbonylContact C-O 3.57Å; Y83-Y112 WeakPolarHBondContact CA-O 3.25Å; Y83-Y112 WeakPolarHBondContact CB-O 3.38Å; Y83-M114 WeakPolarHBondContact O-CE 3.29Å; Y83-H134 PolarHBondContact OH-NE2 2.96Å; Y83-V135 HydrophobicContact CD1-CB 4.42Å; Y83-V135 HydrophobicContact CD1-CG1 4.18Å; Y83-V135 HydrophobicContact CD1-CG2 3.59Å; Y83-V135 HydrophobicContact CD2-CG1 3.97Å; Y83-V135 HydrophobicContact CE1-CB 4.46Å; Y83-V135 HydrophobicContact CE1-CG2 3.75Å; Y83-V135 HydrophobicContact CE2-CG1 4.28Å; Y83-V135 HydrophobicContact CG-CG1 3.91Å; Y83-V135 HydrophobicContact CG-CG2 4.15Å; Y83-S138 VanDerWaalsContact OH-CB 3.28Å; Y83-S138 WeakPolarHBondContact OH-CB 3.3Å; Y83-S138 PolarHBondContact OH-OG 2.97Å
84	R	97.9	Very high	90.4	Very high	102 Å²	102	62.5 Å²	62.5	39%	0.385	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.7	176.9	65.8	174.8	-169.6	-99.1	-9.2	110.1	E86 C111 Y112 M114	R84-E86 IonicContact CZ-OE2 3.25Å; R84-E86 IonicContact NE-OE2 3.34Å; R84-E86 PolarHBondContact NE-OE2 3.02Å; R84-E86 IonicContact NH2-OE2 3.35Å; R84-E86 PolarHBondContact NH2-OE2 3.07Å; R84-C111 CarbonylContact O-C 3.52Å; R84-C111 WeakPolarHBondContact O-CA 3.33Å; R84-Y112 PolarHBondContact N-O 3.47Å; R84-Y112 VanDerWaalsContact NH1-CD1 3.29Å; R84-Y112 PolarHBondContact O-N 2.84Å; R84-M114 HydrophobicContact CB-CE 4.07Å; R84-M114 HydrophobicContact CG-CE 4.28Å; R84-M114 HydrophobicContact CG-SD 4.15Å; R84-M114 PolarHBondContact NH1-SD 3.28Å
85	I	97.6	Very high	88.3	Confident	53 Å²	53	63 Å²	63	27%	0.272	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.1	171.2	-59	168.5	0	0	0	107.8	M67 K109 K110 H142 I145	M67-I85 HydrophobicContact CE-CD1 4Å; I85-K109 HydrophobicContact CG2-CB 4.21Å; I85-K109 HydrophobicContact CG2-CD 4.4Å; I85-K109 HydrophobicContact CG2-CG 4.36Å; I85-K110 WeakPolarHBondContact CA-O 3.47Å; I85-H142 WeakPolarHBondContact CD1-CD2 3.38Å; I85-H142 WeakPolarHBondContact CD1-NE2 3.36Å; I85-I145 HydrophobicContact CD1-CD1 3.71Å; I85-I145 HydrophobicContact CD1-CG1 4.45Å; I85-I145 HydrophobicContact CG1-CD1 3.91Å
86	E	96.9	Very high	86.3	Confident	37 Å²	37	62.3 Å²	62.3	17%	0.173	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.3	179.1	50	174.9	-127	0	0	111.1	R84 V88 K109 K110 Y149	R84-E86 IonicContact CZ-OE2 3.25Å; R84-E86 IonicContact NE-OE2 3.34Å; R84-E86 PolarHBondContact NE-OE2 3.02Å; R84-E86 IonicContact NH2-OE2 3.35Å; R84-E86 PolarHBondContact NH2-OE2 3.07Å; E86-V88 HydrophobicContact CG-CG2 4.15Å; E86-V88 WeakPolarHBondContact OE1-CG2 3.4Å; E86-K109 CarbonylContact O-C 3.5Å; E86-K109 VanDerWaalsContact O-CA 3.31Å; E86-K109 WeakPolarHBondContact O-CA 3.1Å; E86-K110 WeakPolarHBondContact CG-O 3.47Å; E86-K110 PolarHBondContact N-O 3.1Å; E86-K110 PolarHBondContact O-N 3Å; E86-Y149 HydrophobicContact CG-CE1 4.39Å; E86-Y149 WeakPolarHBondContact OE1-CE1 3.34Å; E86-Y149 PolarHBondContact OE1-OH 3.32Å; E86-Y149 PolarHBondContact OE2-OH 3.25Å
87	N	96.3	Very high	84.1	Confident	108 Å²	108	62.2 Å²	62.2	58%	0.578	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.6	172.7	-60.1	-61.8	0	0	0	108	K109	N87-K109 VanDerWaalsContact OD1-CG 3.32Å; N87-K109 WeakPolarHBondContact OD1-CG 3.28Å
88	V	94.8	Very high	81.9	Confident	42 Å²	42	69.1 Å²	69.1	26%	0.255	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127	-179	-177.1	0	0	0	0	108.6	E86 V90 T107 V108 K110	E86-V88 HydrophobicContact CG-CG2 4.15Å; E86-V88 WeakPolarHBondContact OE1-CG2 3.4Å; V88-V90 PolarHBondContact O-N 3.41Å; V88-T107 CarbonylContact O-C 3.56Å; V88-T107 VanDerWaalsContact O-CA 3.31Å; V88-T107 WeakPolarHBondContact O-CA 3.3Å; V88-V108 HydrophobicContact CB-CG2 4.36Å; V88-V108 PolarHBondContact N-O 2.95Å; V88-V108 PolarHBondContact O-N 2.83Å; V88-K110 HydrophobicContact CB-CG 4.49Å; V88-K110 HydrophobicContact CG2-CB 4.15Å; V88-K110 HydrophobicContact CG2-CD 4.06Å; V88-K110 HydrophobicContact CG2-CG 3.99Å
89	V	92.2	Very high	79.8	Confident	78 Å²	78	75.5 Å²	75.5	47%	0.473	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.6	174.8	177.4	0	0	0	0	109.3	N105 T107	V89-N105 HydrophobicContact CG1-CB 3.87Å; V89-T107 HydrophobicContact CG2-CG2 4.05Å
90	V	86.2	Confident	77.7	Confident	46 Å²	46	84 Å²	84	28%	0.279	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.3	171.5	-173.7	0	0	0	0	107.7	V88 Q106 V108	V88-V90 PolarHBondContact O-N 3.41Å; V90-Q106 PolarHBondContact N-O 3.36Å; V90-V108 HydrophobicContact CG2-CB 4.24Å; V90-V108 HydrophobicContact CG2-CG1 3.69Å; V90-V108 HydrophobicContact CG2-CG2 3.59Å
91	K	80.4	Confident	75.5	Confident	177 Å²	177	90.8 Å²	90.8	77%	0.77	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-83.3	121.1	168.3	-64.6	-176.9	179.5	-177.9	0	107.6	V93	K91-V93 PolarHBondContact O-N 3.47Å
92	N	65.7	Low	73.5	Confident	88 Å²	88	94.3 Å²	94.3	47%	0.471	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-69.2	119.2	168.1	-66.8	-22.9	0	0	0	107.1	D94	N92-D94 VanDerWaalsContact C-N 3.35Å
93	V	60.8	Low	71.5	Confident	130 Å²	130	100.2 Å²	100.2	79%	0.788	56%	0.562	S	S	*	*	S	Bend	trans	-82.6	-14.4	-178.3	179.1	0	0	0	0	111.8	K91	K91-V93 PolarHBondContact O-N 3.47Å
94	D	54.5	Low	69.9	Low	149 Å²	149	104.2 Å²	104.2	80%	0.797	60%	0.597	S	S	*	*			trans	-122.6	18.5	-163.9	-60.8	-33.3	0	0	0	117.7	N92 A96	N92-D94 VanDerWaalsContact C-N 3.35Å; D94-A96 PolarHBondContact O-N 3.16Å
95	T	49.8	Very low	68.9	Low	72 Å²	72	105 Å²	105	44%	0.442	61%	0.608	S	S	.	*			trans	-97.8	73.6	167.9	47.1	0	0	0	0	111.1	T97 Q103	T95-T97 PolarHBondContact O-N 3.19Å; T95-Q103 PolarHBondContact OG1-NE2 2.76Å
96	A	51.3	Low	68.4	Low	105 Å²	105	107.9 Å²	107.9	87%	0.868	62%	0.621	S	S	*	*			trans	-81.5	48	163.1	0	0	0	0	0	111.2	D94	D94-A96 PolarHBondContact O-N 3.16Å
97	T	51.2	Low	68.3	Low	96 Å²	96	109.9 Å²	109.9	59%	0.589	64%	0.635	S	S	*	*			trans	-117.3	117.2	170.5	52.4	0	0	0	0	108	T95 D99	T95-T97 PolarHBondContact O-N 3.19Å; T97-D99 PolarHBondContact O-N 2.6Å
98	D	52.6	Low	68.2	Low	164 Å²	164	105.9 Å²	105.9	88%	0.877	62%	0.615	S	S	*	*			trans	-63.6	41.5	-174.7	-94.5	-20.6	0	0	0	115
99	D	54.7	Low	68.3	Low	133 Å²	133	108.1 Å²	108.1	71%	0.711	62%	0.621	S	S	*	*			trans	-98.1	107.6	173.8	-71	-16.1	0	0	0	109.4	T97 N101	T97-D99 PolarHBondContact O-N 2.6Å; D99-N101 PolarHBondContact O-N 3.12Å
100	N	53.3	Low	68.6	Low	179 Å²	179	106.2 Å²	106.2	96%	0.957	61%	0.606	S	S	*	*			trans	-61.8	44.9	176.5	-77.9	-50.4	0	0	0	114.1
101	N	53.5	Low	69.2	Low	142 Å²	142	104 Å²	104	76%	0.759	59%	0.593	S	S	*	*	S	Bend	trans	-103.7	114.5	171.3	-151.6	27.5	0	0	0	108.3	D99 Q103	D99-N101 PolarHBondContact O-N 3.12Å; N101-Q103 PolarHBondContact O-N 3.32Å
102	G	56.4	Low	70.1	Confident	74 Å²	74	96.6 Å²	96.6	76%	0.763	56%	0.56	S	S	*	*			trans	-43.1	105.5	-171.4	0	0	0	0	0	112.6	A104	G102-A104 PolarHBondContact O-N 3.2Å
103	Q	56.6	Low	71.6	Confident	124 Å²	124	92.6 Å²	92.6	58%	0.579	54%	0.539	S	S	*	.			trans	-60.6	104.9	-179.7	-76.6	175.9	3.2	0	0	108.4	T95 N101 N105	T95-Q103 PolarHBondContact OG1-NE2 2.76Å; N101-Q103 PolarHBondContact O-N 3.32Å; Q103-N105 PolarHBondContact O-N 3.25Å; Q103-N105 VanDerWaalsContact O-N 3.08Å
104	A	66	Low	73.4	Confident	90 Å²	90	88 Å²	88	74%	0.744	51%	0.509	S	S	*	.			trans	-63.6	112.4	172.2	0	0	0	0	0	108	G102 Q106	G102-A104 PolarHBondContact O-N 3.2Å; A104-Q106 PolarHBondContact O-N 2.89Å
105	N	76.7	Confident	75.5	Confident	118 Å²	118	81 Å²	81	63%	0.631	47%	0.472	S	S	*	.			trans	-52.6	110	173.9	-82.6	-27	0	0	0	109.5	V89 Q103 T107	V89-N105 HydrophobicContact CG1-CB 3.87Å; Q103-N105 PolarHBondContact O-N 3.25Å; Q103-N105 VanDerWaalsContact O-N 3.08Å; N105-T107 PolarHBondContact O-N 3.31Å
106	Q	87.7	Confident	77.9	Confident	114 Å²	114	78.6 Å²	78.6	53%	0.533	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127.4	177.4	-169.9	178.2	31	0	0	108.9	V90 A104	V90-Q106 PolarHBondContact N-O 3.36Å; A104-Q106 PolarHBondContact O-N 2.89Å
107	T	93.1	Very high	80.1	Confident	78 Å²	78	74 Å²	74	48%	0.479	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.2	173.3	60.4	0	0	0	0	111.1	V88 V89 N105	V88-T107 CarbonylContact O-C 3.56Å; V88-T107 VanDerWaalsContact O-CA 3.31Å; V88-T107 WeakPolarHBondContact O-CA 3.3Å; V89-T107 HydrophobicContact CG2-CG2 4.05Å; N105-T107 PolarHBondContact O-N 3.31Å
108	V	95.3	Very high	82.4	Confident	24 Å²	24	70 Å²	70	15%	0.145	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.6	171.4	-62.3	0	0	0	0	110.2	V88 V90 K110 K146	V88-V108 HydrophobicContact CB-CG2 4.36Å; V88-V108 PolarHBondContact N-O 2.95Å; V88-V108 PolarHBondContact O-N 2.83Å; V90-V108 HydrophobicContact CG2-CB 4.24Å; V90-V108 HydrophobicContact CG2-CG1 3.69Å; V90-V108 HydrophobicContact CG2-CG2 3.59Å; V108-K110 HydrophobicContact CG2-CG 4.39Å; V108-K146 HydrophobicContact CB-CB 4.47Å; V108-K146 HydrophobicContact CB-CD 4.09Å; V108-K146 HydrophobicContact CG1-CD 4.1Å; V108-K146 HydrophobicContact CG2-CD 4.12Å
109	K	97.2	Very high	84.5	Confident	89 Å²	89	64 Å²	64	39%	0.387	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.7	173.1	-69.5	176.6	-176	177.2	0	110	I85 E86 N87 G144 I145 K146	I85-K109 HydrophobicContact CG2-CB 4.21Å; I85-K109 HydrophobicContact CG2-CD 4.4Å; I85-K109 HydrophobicContact CG2-CG 4.36Å; E86-K109 CarbonylContact O-C 3.5Å; E86-K109 VanDerWaalsContact O-CA 3.31Å; E86-K109 WeakPolarHBondContact O-CA 3.1Å; N87-K109 VanDerWaalsContact OD1-CG 3.32Å; N87-K109 WeakPolarHBondContact OD1-CG 3.28Å; K109-G144 WeakPolarHBondContact CB-O 3.39Å; K109-I145 HydrophobicContact CB-CG1 4.47Å; K109-K146 PolarHBondContact O-N 3.09Å
110	K	98.1	Very high	86.6	Confident	38 Å²	38	60.6 Å²	60.6	17%	0.165	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.2	168.4	-61	-163.6	179.8	-168.8	0	109.9	I85 E86 V88 V108 S147 Y149 E190	I85-K110 WeakPolarHBondContact CA-O 3.47Å; E86-K110 WeakPolarHBondContact CG-O 3.47Å; E86-K110 PolarHBondContact N-O 3.1Å; E86-K110 PolarHBondContact O-N 3Å; V88-K110 HydrophobicContact CB-CG 4.49Å; V88-K110 HydrophobicContact CG2-CB 4.15Å; V88-K110 HydrophobicContact CG2-CD 4.06Å; V88-K110 HydrophobicContact CG2-CG 3.99Å; V108-K110 HydrophobicContact CG2-CG 4.39Å; K110-S147 CarbonylContact C-O 3.5Å; K110-S147 WeakPolarHBondContact CA-O 3.48Å; K110-S147 WeakPolarHBondContact CD-OG 3.35Å; K110-S147 WeakPolarHBondContact CG-OG 3.4Å; K110-Y149 HydrophobicContact CB-CD1 3.9Å; K110-Y149 HydrophobicContact CB-CE1 3.92Å; K110-Y149 HydrophobicContact CD-CD1 4.03Å; K110-Y149 HydrophobicContact CD-CE1 4.26Å; K110-E190 WeakPolarHBondContact CE-OE1 3.19Å; K110-E190 VanDerWaalsContact NZ-CD 3.27Å; K110-E190 IonicContact NZ-OE1 2.72Å; K110-E190 PolarHBondContact NZ-OE1 3.13Å; K110-E190 IonicContact NZ-OE2 3.01Å; K110-E190 PolarHBondContact NZ-OE2 3.35Å
111	C	98.5	Very high	88.7	Confident	0 Å²	0	57 Å²	57	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119	169.5	173.6	0	0	0	0	109.5	R84 C139 I145 S147 I148 Y149	R84-C111 CarbonylContact O-C 3.52Å; R84-C111 WeakPolarHBondContact O-CA 3.33Å; C111-C139 WeakPolarHBondContact CB-SG 3.29Å; C111-C139 PolarHBondContact SG-SG 2.77Å; C111-I145 HydrophobicContact CB-CG2 4.03Å; C111-S147 PolarHBondContact N-O 2.81Å; C111-I148 HydrophobicContact CB-CB 4.42Å; C111-I148 HydrophobicContact CB-CG1 4.09Å; C111-I148 HydrophobicContact CB-CG2 4.3Å; C111-I148 CarbonylContact O-C 3.12Å; C111-I148 VanDerWaalsContact O-CA 3.29Å; C111-I148 WeakPolarHBondContact O-CA 3.4Å; C111-Y149 PolarHBondContact O-N 3.32Å
112	Y	98.6	Very high	90.8	Very high	21 Å²	21	53 Å²	53	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119	174.1	-178.3	-115.4	0	0	0	110.9	Y83 R84 M114 Y149 H151 Y177	Y83-Y112 CarbonylContact C-O 3.57Å; Y83-Y112 WeakPolarHBondContact CA-O 3.25Å; Y83-Y112 WeakPolarHBondContact CB-O 3.38Å; R84-Y112 PolarHBondContact N-O 3.47Å; R84-Y112 VanDerWaalsContact NH1-CD1 3.29Å; R84-Y112 PolarHBondContact O-N 2.84Å; Y112-M114 HydrophobicContact CD1-CB 4.38Å; Y112-M114 HydrophobicContact CD1-CG 3.43Å; Y112-M114 VanDerWaalsContact CD1-CG 3.43Å; Y112-M114 HydrophobicContact CE1-CB 4.22Å; Y112-M114 HydrophobicContact CE1-CG 3.61Å; Y112-M114 PolarHBondContact O-N 3.23Å; Y112-Y149 WeakPolarHBondContact CA-O 3.16Å; Y112-Y149 HydrophobicContact CD2-CD1 4.3Å; Y112-Y149 AromaticContact CD2-CD2 3.87Å; Y112-Y149 HydrophobicContact CD2-CD2 3.87Å; Y112-Y149 AromaticContact CD2-CE1 3.85Å; Y112-Y149 HydrophobicContact CD2-CE1 3.85Å; Y112-Y149 AromaticContact CD2-CE2 3.35Å; Y112-Y149 HydrophobicContact CD2-CE2 3.35Å; Y112-Y149 HydrophobicContact CD2-CG 4.31Å; Y112-Y149 AromaticContact CD2-CZ 3.33Å; Y112-Y149 WeakPolarHBondContact CD2-O 3.35Å; Y112-Y149 HydrophobicContact CE2-CD2 4.29Å; Y112-Y149 AromaticContact CE2-CE2 3.77Å; Y112-Y149 HydrophobicContact CE2-CE2 3.77Å; Y112-Y149 HydrophobicContact CG-CE1 4.23Å; Y112-Y149 HydrophobicContact CG-CE2 4.37Å; Y112-Y149 AromaticContact CG-CZ 3.93Å; Y112-H151 AromaticContact CE2-CE1 3.82Å; Y112-H151 AromaticContact CE2-ND1 3.35Å; Y112-H151 WeakPolarHBondContact CE2-ND1 3.47Å; Y112-H151 AromaticContact CZ-ND1 3.62Å; Y112-H151 PolarHBondContact OH-ND1 3.06Å; Y112-Y177 PolarHBondContact OH-OH 3.43Å
113	I	98.8	Very high	92.7	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.7	169.7	-59.4	176.1	0	0	0	108.1	L116 L132 V135 I148 Y149 L150	I113-L116 HydrophobicContact CD1-CD1 4.49Å; I113-L116 HydrophobicContact CG2-CB 3.79Å; I113-L116 HydrophobicContact CG2-CD1 4.48Å; I113-L132 HydrophobicContact CD1-CD1 3.75Å; I113-V135 HydrophobicContact CD1-CG1 4.13Å; I113-V135 HydrophobicContact CG1-CG1 4.09Å; I113-I148 HydrophobicContact CD1-CG2 3.69Å; I113-I148 HydrophobicContact CG1-CG2 3.8Å; I113-Y149 PolarHBondContact N-O 3.41Å; I113-L150 HydrophobicContact CB-CB 4.1Å
114	M	98.4	Very high	94.6	Very high	34 Å²	34	54.8 Å²	54.8	17%	0.167	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-43.3	-178.5	-66	176.7	-71.4	0	0	111.9	Y53 F57 V61 S82 Y83 R84 Y112	Y53-M114 PolarHBondContact OH-O 3.2Å; F57-M114 HydrophobicContact CE2-CB 4.19Å; F57-M114 HydrophobicContact CE2-SD 4.11Å; V61-M114 HydrophobicContact CG1-CE 4.32Å; S82-M114 PolarHBondContact O-N 3.09Å; Y83-M114 WeakPolarHBondContact O-CE 3.29Å; R84-M114 HydrophobicContact CB-CE 4.07Å; R84-M114 HydrophobicContact CG-CE 4.28Å; R84-M114 HydrophobicContact CG-SD 4.15Å; R84-M114 PolarHBondContact NH1-SD 3.28Å; Y112-M114 HydrophobicContact CD1-CB 4.38Å; Y112-M114 HydrophobicContact CD1-CG 3.43Å; Y112-M114 VanDerWaalsContact CD1-CG 3.43Å; Y112-M114 HydrophobicContact CE1-CB 4.22Å; Y112-M114 HydrophobicContact CE1-CG 3.61Å; Y112-M114 PolarHBondContact O-N 3.23Å
115	T	98.6	Very high	96	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.3	174.2	61.9	0	0	0	0	109.5	F49 Y53 F57 V81 S82	F49-T115 HydrophobicContact CD2-CG2 4.26Å; F49-T115 HydrophobicContact CE2-CG2 3.86Å; F49-T115 HydrophobicContact CZ-CG2 4.3Å; Y53-T115 HydrophobicContact CE1-CG2 3.98Å; Y53-T115 HydrophobicContact CE2-CG2 3.79Å; Y53-T115 VanDerWaalsContact CZ-CG2 3.42Å; Y53-T115 VanDerWaalsContact OH-CG2 3.29Å; Y53-T115 WeakPolarHBondContact OH-CG2 3.49Å; F57-T115 HydrophobicContact CZ-CG2 4Å; V81-T115 CarbonylContact C-O 3.48Å; V81-T115 VanDerWaalsContact CA-O 3.25Å; V81-T115 WeakPolarHBondContact CA-O 3.24Å; V81-T115 WeakPolarHBondContact CG2-O 3.07Å; S82-T115 PolarHBondContact N-O 2.93Å; S82-T115 PolarHBondContact N-OG1 3.35Å; S82-T115 PolarHBondContact O-N 2.73Å; S82-T115 PolarHBondContact OG-OG1 3.07Å
116	L	98.8	Very high	96.9	Very high	21 Å²	21	51.6 Å²	51.6	11%	0.11	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	113.7	166.1	-173.8	160.2	0	0	0	107.7	V81 I113 M131 L132 F162	V81-L116 HydrophobicContact CB-CB 4.48Å; V81-L116 HydrophobicContact CB-CG 4.28Å; V81-L116 HydrophobicContact CG2-CB 4.02Å; V81-L116 HydrophobicContact CG2-CD1 3.94Å; V81-L116 HydrophobicContact CG2-CG 3.99Å; I113-L116 HydrophobicContact CD1-CD1 4.49Å; I113-L116 HydrophobicContact CG2-CB 3.79Å; I113-L116 HydrophobicContact CG2-CD1 4.48Å; L116-M131 HydrophobicContact CD1-CB 4.33Å; L116-M131 HydrophobicContact CD2-CE 4.01Å; L116-M131 HydrophobicContact CG-CB 4.28Å; L116-M131 HydrophobicContact CG-CE 4.27Å; L116-L132 HydrophobicContact CD1-CB 3.92Å; L116-L132 HydrophobicContact CD1-CD1 4.19Å; L116-F162 HydrophobicContact CD2-CE1 4.31Å
117	G	98.4	Very high	97.5	Very high	8 Å²	8	46.2 Å²	46.2	8%	0.082	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	153.6	-172.4	0	0	0	0	0	113.2	G79 A80	G79-G117 CarbonylContact C-O 3.51Å; G79-G117 WeakPolarHBondContact CA-O 3.49Å; A80-G117 PolarHBondContact N-O 3.09Å; A80-G117 PolarHBondContact O-N 3.27Å
118	C	98.4	Very high	97.7	Very high	13 Å²	13	43.1 Å²	43.1	9%	0.088	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.8	172.6	62.5	0	0	0	0	110.7	V78 V127 M131	V78-C118 CarbonylContact O-C 3.55Å; V78-C118 WeakPolarHBondContact O-CA 3.34Å; V78-C118 VanDerWaalsContact O-CB 3.29Å; V78-C118 WeakPolarHBondContact O-CB 3Å; C118-V127 HydrophobicContact CB-CB 4.21Å; C118-V127 HydrophobicContact CB-CG1 3.7Å; C118-M131 HydrophobicContact CB-CE 4.48Å
119	L	98.6	Very high	97.8	Very high	39 Å²	39	44 Å²	44	20%	0.204	25%	0.253	C	S	.	.			trans	-55.8	138.9	176.7	-63.7	178.5	0	0	0	110.2	I44 T47 V48 V78 P121 Y122	I44-L119 HydrophobicContact CD1-CD1 4Å; I44-L119 HydrophobicContact CD1-CD2 3.99Å; I44-L119 HydrophobicContact CD1-CG 3.82Å; T47-L119 HydrophobicContact CG2-CD2 3.59Å; V48-L119 HydrophobicContact CG2-CD2 4.13Å; V78-L119 HydrophobicContact CB-CD1 4.49Å; V78-L119 WeakPolarHBondContact O-CG 3.48Å; V78-L119 PolarHBondContact O-N 2.94Å; L119-P121 VanDerWaalsContact C-CD 3.44Å; L119-Y122 HydrophobicContact CB-CD2 3.87Å; L119-Y122 HydrophobicContact CB-CE2 4.49Å; L119-Y122 HydrophobicContact CD1-CD2 4.46Å; L119-Y122 HydrophobicContact CD1-CE2 4.37Å; L119-Y122 PolarHBondContact O-N 3.14Å
120	A	97.8	Very high	97.9	Very high	61 Å²	61	42.8 Å²	42.8	50%	0.504	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-52.9	-41.5	-173.6	0	0	0	0	0	114.7	Y122 R123	A120-Y122 PolarHBondContact O-N 3.05Å; A120-Y122 VanDerWaalsContact O-N 3.12Å; A120-R123 WeakPolarHBondContact O-CB 3.48Å; A120-R123 PolarHBondContact O-N 3.32Å
121	P	97.4	Very high	97.9	Very high	103 Å²	103	41 Å²	41	67%	0.669	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-63.7	-15.8	177.6	-23.9	35.8	0	0	0	115.1	L119	L119-P121 VanDerWaalsContact C-CD 3.44Å
122	Y	97.1	Very high	97.9	Very high	57 Å²	57	41 Å²	41	22%	0.224	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-106.4	5.7	-177.2	-61	-90.1	0	0	0	113.3	F73 V78 L119 A120	F73-Y122 HydrophobicContact CB-CD1 3.94Å; F73-Y122 HydrophobicContact CB-CE1 4.11Å; F73-Y122 AromaticContact CD1-CD1 3.96Å; F73-Y122 HydrophobicContact CD1-CD1 3.96Å; F73-Y122 AromaticContact CD1-CE1 3.75Å; F73-Y122 HydrophobicContact CD1-CE1 3.75Å; F73-Y122 AromaticContact CD2-CD1 3.98Å; F73-Y122 HydrophobicContact CD2-CD1 3.98Å; F73-Y122 HydrophobicContact CE1-CD1 4.48Å; F73-Y122 HydrophobicContact CE1-CE1 4.33Å; F73-Y122 AromaticContact CG-CD1 3.69Å; F73-Y122 HydrophobicContact CG-CD1 3.69Å; F73-Y122 AromaticContact CG-CE1 3.91Å; F73-Y122 HydrophobicContact CG-CE1 3.91Å; V78-Y122 HydrophobicContact CB-CD1 4.14Å; V78-Y122 HydrophobicContact CB-CD2 3.82Å; V78-Y122 HydrophobicContact CB-CE2 4.21Å; V78-Y122 HydrophobicContact CB-CG 3.75Å; V78-Y122 HydrophobicContact CG1-CD1 3.66Å; V78-Y122 HydrophobicContact CG1-CD2 3.6Å; V78-Y122 HydrophobicContact CG1-CE1 3.56Å; V78-Y122 HydrophobicContact CG1-CE2 3.49Å; V78-Y122 VanDerWaalsContact CG1-CE2 3.49Å; V78-Y122 HydrophobicContact CG1-CG 3.66Å; V78-Y122 VanDerWaalsContact CG1-CZ 3.45Å; V78-Y122 HydrophobicContact CG2-CD1 4.34Å; V78-Y122 HydrophobicContact CG2-CG 4.21Å; L119-Y122 HydrophobicContact CB-CD2 3.87Å; L119-Y122 HydrophobicContact CB-CE2 4.49Å; L119-Y122 HydrophobicContact CD1-CD2 4.46Å; L119-Y122 HydrophobicContact CD1-CE2 4.37Å; L119-Y122 PolarHBondContact O-N 3.14Å; A120-Y122 PolarHBondContact O-N 3.05Å; A120-Y122 VanDerWaalsContact O-N 3.12Å
123	R	96.8	Very high	97.9	Very high	152 Å²	152	45.9 Å²	45.9	57%	0.574	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	155.7	171.4	-65.1	175.5	-174	166.3	2	110	A120 Y125	A120-R123 WeakPolarHBondContact O-CB 3.48Å; A120-R123 PolarHBondContact O-N 3.32Å; R123-Y125 PolarHBondContact O-N 3.26Å
124	G	95.5	Very high	97.9	Very high	85 Å²	85	47.4 Å²	47.4	88%	0.876	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-11.1	-178.2	0	0	0	0	0	115.3
125	Y	96	Very high	97.9	Very high	110 Å²	110	45.8 Å²	45.8	43%	0.431	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.9	176.2	-63.9	-60	0	0	0	114.9	K26 I28 F73 R123	K26-Y125 HydrophobicContact CD-CD1 4.04Å; K26-Y125 HydrophobicContact CD-CE1 4.26Å; I28-Y125 WeakPolarHBondContact CD1-O 3.47Å; F73-Y125 HydrophobicContact CE2-CD2 4.1Å; F73-Y125 AromaticContact CE2-CG 3.94Å; F73-Y125 HydrophobicContact CE2-CG 3.94Å; R123-Y125 PolarHBondContact O-N 3.26Å
126	G	97	Very high	97.9	Very high	31 Å²	31	46.3 Å²	46.3	32%	0.32	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	4.3	178.1	0	0	0	0	0	115.7	G128 T129 L130	G126-G128 PolarHBondContact O-N 3.49Å; G126-T129 WeakPolarHBondContact O-CB 3.37Å; G126-T129 PolarHBondContact O-N 3.34Å; G126-T129 VanDerWaalsContact O-N 3.16Å; G126-L130 PolarHBondContact O-N 2.94Å
127	V	98.3	Very high	97.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-54.7	-50	176	-178.9	0	0	0	0	111.8	I28 A71 F73 V78 C118 T129 L130 M131	I28-V127 HydrophobicContact CD1-CG2 4.01Å; I28-V127 HydrophobicContact CG2-CG2 4.1Å; A71-V127 HydrophobicContact CB-CG1 3.63Å; F73-V127 HydrophobicContact CD2-CG2 4.46Å; V78-V127 HydrophobicContact CG2-CG1 4.2Å; V78-V127 HydrophobicContact CG2-CG2 4.19Å; C118-V127 HydrophobicContact CB-CB 4.21Å; C118-V127 HydrophobicContact CB-CG1 3.7Å; V127-T129 PolarHBondContact O-N 2.88Å; V127-L130 PolarHBondContact O-N 2.92Å; V127-M131 HydrophobicContact CG1-CE 4.06Å; V127-M131 PolarHBondContact O-N 3.4Å; V127-M131 VanDerWaalsContact O-N 3.09Å
128	G	98.4	Very high	97.7	Very high	13 Å²	13	50.6 Å²	50.6	13%	0.134	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-42.5	176.5	0	0	0	0	0	112.7	G126 L130 M131 L132 F162	G126-G128 PolarHBondContact O-N 3.49Å; G128-L130 PolarHBondContact O-N 2.92Å; G128-M131 PolarHBondContact O-N 3.34Å; G128-L132 WeakPolarHBondContact O-CB 3.5Å; G128-L132 PolarHBondContact O-N 3.42Å; G128-F162 WeakPolarHBondContact O-CZ 3.33Å
129	T	98.4	Very high	97.6	Very high	43 Å²	43	50.1 Å²	50.1	26%	0.264	28%	0.282	S	S	.	.	H	α-helix	trans	-59.4	-46.5	176.4	-62.9	0	0	0	0	111.5	G126 V127 L132 K133 F166	G126-T129 WeakPolarHBondContact O-CB 3.37Å; G126-T129 PolarHBondContact O-N 3.34Å; G126-T129 VanDerWaalsContact O-N 3.16Å; V127-T129 PolarHBondContact O-N 2.88Å; T129-L132 PolarHBondContact O-N 2.96Å; T129-K133 HydrophobicContact CG2-CD 4.13Å; T129-K133 HydrophobicContact CG2-CG 4.38Å; T129-K133 WeakPolarHBondContact O-CB 3.35Å; T129-K133 WeakPolarHBondContact O-CG 3.09Å; T129-K133 PolarHBondContact O-N 3.43Å; T129-F166 HydrophobicContact CG2-CE1 4.04Å; T129-F166 HydrophobicContact CG2-CZ 3.64Å
130	L	98.4	Very high	97.5	Very high	62 Å²	62	49.2 Å²	49.2	33%	0.325	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-46.9	178.6	-178.5	66.5	0	0	0	111.2	I28 L30 G126 V127 G128 H134	I28-L130 HydrophobicContact CB-CD2 4.17Å; I28-L130 HydrophobicContact CG2-CD2 3.54Å; L30-L130 HydrophobicContact CD1-CG 4.16Å; L30-L130 HydrophobicContact CD2-CD2 3.97Å; L30-L130 HydrophobicContact CD2-CG 4.11Å; L30-L130 HydrophobicContact CG-CD2 3.88Å; L30-L130 HydrophobicContact CG-CG 3.91Å; G126-L130 PolarHBondContact O-N 2.94Å; V127-L130 PolarHBondContact O-N 2.92Å; G128-L130 PolarHBondContact O-N 2.92Å; L130-H134 PolarHBondContact O-N 3.03Å
131	M	98.8	Very high	97.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-47	177.5	-71.7	-173.7	-60.5	0	0	112.1	L30 A71 V81 L116 C118 V127 G128 H134 V135	L30-M131 HydrophobicContact CD2-CG 3.74Å; A71-M131 HydrophobicContact CB-CG 4Å; A71-M131 HydrophobicContact CB-SD 3.81Å; V81-M131 HydrophobicContact CB-CB 4.06Å; V81-M131 HydrophobicContact CB-CG 4.28Å; V81-M131 HydrophobicContact CB-SD 3.99Å; V81-M131 HydrophobicContact CG1-CB 3.94Å; V81-M131 HydrophobicContact CG1-CG 3.99Å; V81-M131 HydrophobicContact CG1-SD 4.17Å; L116-M131 HydrophobicContact CD1-CB 4.33Å; L116-M131 HydrophobicContact CD2-CE 4.01Å; L116-M131 HydrophobicContact CG-CB 4.28Å; L116-M131 HydrophobicContact CG-CE 4.27Å; C118-M131 HydrophobicContact CB-CE 4.48Å; V127-M131 HydrophobicContact CG1-CE 4.06Å; V127-M131 PolarHBondContact O-N 3.4Å; V127-M131 VanDerWaalsContact O-N 3.09Å; G128-M131 PolarHBondContact O-N 3.34Å; M131-H134 WeakPolarHBondContact O-CB 3.3Å; M131-H134 PolarHBondContact O-N 3.03Å; M131-V135 WeakPolarHBondContact O-CG2 3.43Å; M131-V135 PolarHBondContact O-N 3.31Å; M131-V135 VanDerWaalsContact O-N 3.14Å
132	L	98.8	Very high	97.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-44.2	-178.9	-178.3	56.3	0	0	0	111.8	I113 L116 G128 T129 H134 V135 I136 F162 Y163 F166 F168	I113-L132 HydrophobicContact CD1-CD1 3.75Å; L116-L132 HydrophobicContact CD1-CB 3.92Å; L116-L132 HydrophobicContact CD1-CD1 4.19Å; G128-L132 WeakPolarHBondContact O-CB 3.5Å; G128-L132 PolarHBondContact O-N 3.42Å; T129-L132 PolarHBondContact O-N 2.96Å; L132-H134 PolarHBondContact O-N 2.96Å; L132-V135 WeakPolarHBondContact O-CB 3.33Å; L132-V135 PolarHBondContact O-N 3.12Å; L132-V135 VanDerWaalsContact O-N 3.07Å; L132-I136 HydrophobicContact CD1-CD1 4.2Å; L132-I136 HydrophobicContact CD1-CG1 4.41Å; L132-I136 HydrophobicContact CG-CD1 3.81Å; L132-I136 WeakPolarHBondContact O-CD1 3.37Å; L132-I136 WeakPolarHBondContact O-CG1 3.36Å; L132-I136 PolarHBondContact O-N 3.4Å; L132-F162 HydrophobicContact CB-CE1 4.28Å; L132-F162 HydrophobicContact CB-CZ 3.97Å; L132-F162 HydrophobicContact CD2-CD1 4.49Å; L132-F162 HydrophobicContact CD2-CE1 3.57Å; L132-F162 HydrophobicContact CD2-CZ 3.78Å; L132-Y163 HydrophobicContact CD1-CE1 4.17Å; L132-Y163 HydrophobicContact CD2-CD1 3.89Å; L132-Y163 HydrophobicContact CD2-CE1 4.06Å; L132-F166 HydrophobicContact CD2-CB 3.78Å; L132-F166 HydrophobicContact CD2-CD1 4.13Å; L132-F166 HydrophobicContact CD2-CD2 3.43Å; L132-F166 VanDerWaalsContact CD2-CD2 3.43Å; L132-F166 HydrophobicContact CD2-CE2 4.02Å; L132-F166 HydrophobicContact CD2-CG 3.51Å; L132-F166 HydrophobicContact CG-CG 4.43Å; L132-F168 HydrophobicContact CD1-CE2 4.1Å; L132-F168 HydrophobicContact CD1-CZ 4.15Å; L132-F168 HydrophobicContact CD2-CE2 4.19Å
133	K	98.3	Very high	96.8	Very high	124 Å²	124	52 Å²	52	54%	0.539	28%	0.279	S	S	.	.	H	α-helix	trans	-57.5	-38.7	174.3	-77.3	-172.2	172.7	-166.5	0	111.9	T129 I136 K137 F166	T129-K133 HydrophobicContact CG2-CD 4.13Å; T129-K133 HydrophobicContact CG2-CG 4.38Å; T129-K133 WeakPolarHBondContact O-CB 3.35Å; T129-K133 WeakPolarHBondContact O-CG 3.09Å; T129-K133 PolarHBondContact O-N 3.43Å; K133-I136 PolarHBondContact O-N 2.9Å; K133-K137 WeakPolarHBondContact O-CB 3.36Å; K133-K137 PolarHBondContact O-N 2.83Å; K133-F166 HydrophobicContact CG-CE1 4.26Å
134	H	98.2	Very high	96.7	Very high	36 Å²	36	48.1 Å²	48.1	17%	0.167	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-44	173.5	168.4	73.4	0	0	0	112.8	L30 R69 Y83 L130 M131 L132 S138	L30-H134 HydrophobicContact CD1-CB 3.34Å; R69-H134 VanDerWaalsContact CG-NE2 3.34Å; R69-H134 WeakPolarHBondContact CG-NE2 3.43Å; Y83-H134 PolarHBondContact OH-NE2 2.96Å; L130-H134 PolarHBondContact O-N 3.03Å; M131-H134 WeakPolarHBondContact O-CB 3.3Å; M131-H134 PolarHBondContact O-N 3.03Å; L132-H134 PolarHBondContact O-N 2.96Å; H134-S138 PolarHBondContact CE1-OG 3.34Å; H134-S138 VanDerWaalsContact CE1-OG 3.28Å; H134-S138 VanDerWaalsContact O-CB 3.29Å; H134-S138 WeakPolarHBondContact O-CB 3.36Å; H134-S138 PolarHBondContact O-N 3.27Å; H134-S138 PolarHBondContact O-OG 3.14Å
135	V	98.6	Very high	96.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-47.9	176	-178.7	0	0	0	0	110.4	V81 Y83 I113 M131 L132 S138 C139 I148	V81-V135 HydrophobicContact CG2-CG2 3.66Å; Y83-V135 HydrophobicContact CD1-CB 4.42Å; Y83-V135 HydrophobicContact CD1-CG1 4.18Å; Y83-V135 HydrophobicContact CD1-CG2 3.59Å; Y83-V135 HydrophobicContact CD2-CG1 3.97Å; Y83-V135 HydrophobicContact CE1-CB 4.46Å; Y83-V135 HydrophobicContact CE1-CG2 3.75Å; Y83-V135 HydrophobicContact CE2-CG1 4.28Å; Y83-V135 HydrophobicContact CG-CG1 3.91Å; Y83-V135 HydrophobicContact CG-CG2 4.15Å; I113-V135 HydrophobicContact CD1-CG1 4.13Å; I113-V135 HydrophobicContact CG1-CG1 4.09Å; M131-V135 WeakPolarHBondContact O-CG2 3.43Å; M131-V135 PolarHBondContact O-N 3.31Å; M131-V135 VanDerWaalsContact O-N 3.14Å; L132-V135 WeakPolarHBondContact O-CB 3.33Å; L132-V135 PolarHBondContact O-N 3.12Å; L132-V135 VanDerWaalsContact O-N 3.07Å; V135-S138 PolarHBondContact O-N 3.1Å; V135-C139 PolarHBondContact O-N 2.92Å; V135-C139 PolarHBondContact O-SG 2.97Å; V135-I148 HydrophobicContact CG1-CD1 4.4Å; V135-I148 HydrophobicContact CG1-CG2 4.37Å
136	I	98.2	Very high	96.8	Very high	13 Å²	13	44.7 Å²	44.7	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-58.4	-53.5	179.6	-64.3	153.7	0	0	0	110.5	L132 K133 S138 C139 L140 I148 F166 R191	L132-I136 HydrophobicContact CD1-CD1 4.2Å; L132-I136 HydrophobicContact CD1-CG1 4.41Å; L132-I136 HydrophobicContact CG-CD1 3.81Å; L132-I136 WeakPolarHBondContact O-CD1 3.37Å; L132-I136 WeakPolarHBondContact O-CG1 3.36Å; L132-I136 PolarHBondContact O-N 3.4Å; K133-I136 PolarHBondContact O-N 2.9Å; I136-S138 VanDerWaalsContact C-N 3.28Å; I136-S138 PolarHBondContact O-N 3.44Å; I136-C139 PolarHBondContact O-N 3.16Å; I136-C139 VanDerWaalsContact O-N 3.09Å; I136-L140 HydrophobicContact CG2-CD1 3.88Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 WeakPolarHBondContact O-CG 3.32Å; I136-L140 PolarHBondContact O-N 3.44Å; I136-I148 HydrophobicContact CB-CD1 4.27Å; I136-I148 HydrophobicContact CG1-CD1 3.77Å; I136-F166 HydrophobicContact CD1-CD1 4.49Å; I136-R191 VanDerWaalsContact CG1-NH1 3.29Å
137	K	96.6	Very high	96.9	Very high	86 Å²	86	43.2 Å²	43.2	37%	0.374	23%	0.234	S	C	.	.	H	α-helix	trans	-57.9	-41.2	178.3	-176.5	167.5	-177.1	160.8	0	111.7	K133 C139 K141	K133-K137 WeakPolarHBondContact O-CB 3.36Å; K133-K137 PolarHBondContact O-N 2.83Å; K137-C139 VanDerWaalsContact C-N 3.34Å; K137-C139 PolarHBondContact O-N 3.39Å; K137-K141 VanDerWaalsContact O-CB 3.28Å; K137-K141 WeakPolarHBondContact O-CB 3.4Å; K137-K141 PolarHBondContact O-N 3.22Å
138	S	96.6	Very high	96.9	Very high	33 Å²	33	43.2 Å²	43.2	23%	0.231	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-36.5	178.1	-57.2	0	0	0	0	112.1	Y83 H134 V135 I136 H142	Y83-S138 VanDerWaalsContact OH-CB 3.28Å; Y83-S138 WeakPolarHBondContact OH-CB 3.3Å; Y83-S138 PolarHBondContact OH-OG 2.97Å; H134-S138 PolarHBondContact CE1-OG 3.34Å; H134-S138 VanDerWaalsContact CE1-OG 3.28Å; H134-S138 VanDerWaalsContact O-CB 3.29Å; H134-S138 WeakPolarHBondContact O-CB 3.36Å; H134-S138 PolarHBondContact O-N 3.27Å; H134-S138 PolarHBondContact O-OG 3.14Å; V135-S138 PolarHBondContact O-N 3.1Å; I136-S138 VanDerWaalsContact C-N 3.28Å; I136-S138 PolarHBondContact O-N 3.44Å; S138-H142 VanDerWaalsContact O-CB 3.28Å; S138-H142 WeakPolarHBondContact O-CB 3.28Å; S138-H142 PolarHBondContact O-N 3.08Å
139	C	97.1	Very high	96.9	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.02	23%	0.234	C	C	.	.	H	α-helix	trans	-71.8	-42.7	177.1	-65.8	0	0	0	0	112.5	C111 V135 I136 K137 H142 G143 I145 I148 L193	C111-C139 WeakPolarHBondContact CB-SG 3.29Å; C111-C139 PolarHBondContact SG-SG 2.77Å; V135-C139 PolarHBondContact O-N 2.92Å; V135-C139 PolarHBondContact O-SG 2.97Å; I136-C139 PolarHBondContact O-N 3.16Å; I136-C139 VanDerWaalsContact O-N 3.09Å; K137-C139 VanDerWaalsContact C-N 3.34Å; K137-C139 PolarHBondContact O-N 3.39Å; C139-H142 PolarHBondContact O-N 2.99Å; C139-G143 PolarHBondContact O-N 3.21Å; C139-G143 VanDerWaalsContact O-N 3.15Å; C139-I145 HydrophobicContact CB-CD1 3.74Å; C139-I145 HydrophobicContact CB-CG2 4.5Å; C139-I148 HydrophobicContact CB-CD1 4.1Å; C139-I148 HydrophobicContact CB-CG1 4.31Å; C139-L193 HydrophobicContact CB-CD1 3.6Å
140	L	96	Very high	96.9	Very high	21 Å²	21	42.4 Å²	42.4	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-49.5	175.3	-69.3	173.2	0	0	0	110.5	I136 H142 G143 L193 E197 A198	I136-L140 HydrophobicContact CG2-CD1 3.88Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 WeakPolarHBondContact O-CG 3.32Å; I136-L140 PolarHBondContact O-N 3.44Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.95Å; L140-G143 PolarHBondContact O-N 2.97Å; L140-G143 VanDerWaalsContact O-N 3.09Å; L140-L193 HydrophobicContact CD2-CB 4.22Å; L140-L193 HydrophobicContact CD2-CD1 4.39Å; L140-L193 HydrophobicContact CD2-CD2 4.15Å; L140-L193 HydrophobicContact CD2-CG 4.49Å; L140-E197 HydrophobicContact CD1-CB 4.12Å; L140-E197 HydrophobicContact CD2-CB 3.83Å; L140-A198 HydrophobicContact CD2-CB 4.35Å
141	K	94.1	Very high	96.9	Very high	154 Å²	154	41.3 Å²	41.3	67%	0.67	22%	0.216	S	C	*	.	H	α-helix	trans	-62	-35.3	176.2	-178.4	169.5	-177	163.1	0	113.6	K137 G143	K137-K141 VanDerWaalsContact O-CB 3.28Å; K137-K141 WeakPolarHBondContact O-CB 3.4Å; K137-K141 PolarHBondContact O-N 3.22Å; K141-G143 VanDerWaalsContact C-N 3.26Å; K141-G143 PolarHBondContact O-N 3.35Å
142	H	92	Very high	96.9	Very high	95 Å²	95	41.6 Å²	41.6	44%	0.44	22%	0.218	S	C	.	.	H	α-helix	trans	-66.3	-32.5	176.5	-175.6	-71	0	0	0	111.5	I85 S138 C139 L140 I145	I85-H142 WeakPolarHBondContact CD1-CD2 3.38Å; I85-H142 WeakPolarHBondContact CD1-NE2 3.36Å; S138-H142 VanDerWaalsContact O-CB 3.28Å; S138-H142 WeakPolarHBondContact O-CB 3.28Å; S138-H142 PolarHBondContact O-N 3.08Å; C139-H142 PolarHBondContact O-N 2.99Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 2.95Å; H142-I145 HydrophobicContact CB-CD1 3.97Å
143	G	92	Very high	96.9	Very high	31 Å²	31	43 Å²	43	32%	0.32	22%	0.224	S	C	.	.			trans	69.2	160.6	-178.2	0	0	0	0	0	113.6	C139 L140 K141 I145	C139-G143 PolarHBondContact O-N 3.21Å; C139-G143 VanDerWaalsContact O-N 3.15Å; L140-G143 PolarHBondContact O-N 2.97Å; L140-G143 VanDerWaalsContact O-N 3.09Å; K141-G143 VanDerWaalsContact C-N 3.26Å; K141-G143 PolarHBondContact O-N 3.35Å; G143-I145 PolarHBondContact O-N 3.49Å
144	G	94.3	Very high	96.8	Very high	69 Å²	69	38.4 Å²	38.4	71%	0.711	21%	0.207	S	C	*	.			trans	66.9	4.7	176.6	0	0	0	0	0	115.7	K109	K109-G144 WeakPolarHBondContact CB-O 3.39Å
145	I	96.8	Very high	96.7	Very high	11 Å²	11	39.1 Å²	39.1	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.9	174.2	-62.4	170.5	0	0	0	107.8	I85 K109 C111 C139 H142 G143 S147 L193	I85-I145 HydrophobicContact CD1-CD1 3.71Å; I85-I145 HydrophobicContact CD1-CG1 4.45Å; I85-I145 HydrophobicContact CG1-CD1 3.91Å; K109-I145 HydrophobicContact CB-CG1 4.47Å; C111-I145 HydrophobicContact CB-CG2 4.03Å; C139-I145 HydrophobicContact CB-CD1 3.74Å; C139-I145 HydrophobicContact CB-CG2 4.5Å; H142-I145 HydrophobicContact CB-CD1 3.97Å; G143-I145 PolarHBondContact O-N 3.49Å; I145-S147 VanDerWaalsContact CG2-O 3.28Å; I145-S147 WeakPolarHBondContact CG2-O 3.37Å; I145-L193 HydrophobicContact CB-CD1 4.16Å; I145-L193 HydrophobicContact CG2-CD1 3.91Å
146	K	96.6	Very high	96.7	Very high	113 Å²	113	43 Å²	43	49%	0.491	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-38.6	-179.1	-178	173.5	180	175.3	0	112	V108 K109 L193	V108-K146 HydrophobicContact CB-CB 4.47Å; V108-K146 HydrophobicContact CB-CD 4.09Å; V108-K146 HydrophobicContact CG1-CD 4.1Å; V108-K146 HydrophobicContact CG2-CD 4.12Å; K109-K146 PolarHBondContact O-N 3.09Å; K146-L193 PolarHBondContact O-N 3.41Å
147	S	97.9	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	161.5	-173	55.8	0	0	0	0	112.7	K110 C111 I145 E190 R191	K110-S147 CarbonylContact C-O 3.5Å; K110-S147 WeakPolarHBondContact CA-O 3.48Å; K110-S147 WeakPolarHBondContact CD-OG 3.35Å; K110-S147 WeakPolarHBondContact CG-OG 3.4Å; C111-S147 PolarHBondContact N-O 2.81Å; I145-S147 VanDerWaalsContact CG2-O 3.28Å; I145-S147 WeakPolarHBondContact CG2-O 3.37Å; S147-E190 WeakPolarHBondContact CB-OE1 3.43Å; S147-E190 PolarHBondContact OG-OE1 2.89Å; S147-R191 CarbonylContact C-O 3.57Å; S147-R191 WeakPolarHBondContact CA-O 3.44Å; S147-R191 WeakPolarHBondContact CB-O 3.21Å
148	I	98.7	Very high	96.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.8	169.5	-52.3	173.5	0	0	0	107.2	C111 I113 V135 I136 C139 F168 E190 R191 L193	C111-I148 HydrophobicContact CB-CB 4.42Å; C111-I148 HydrophobicContact CB-CG1 4.09Å; C111-I148 HydrophobicContact CB-CG2 4.3Å; C111-I148 CarbonylContact O-C 3.12Å; C111-I148 VanDerWaalsContact O-CA 3.29Å; C111-I148 WeakPolarHBondContact O-CA 3.4Å; I113-I148 HydrophobicContact CD1-CG2 3.69Å; I113-I148 HydrophobicContact CG1-CG2 3.8Å; V135-I148 HydrophobicContact CG1-CD1 4.4Å; V135-I148 HydrophobicContact CG1-CG2 4.37Å; I136-I148 HydrophobicContact CB-CD1 4.27Å; I136-I148 HydrophobicContact CG1-CD1 3.77Å; C139-I148 HydrophobicContact CB-CD1 4.1Å; C139-I148 HydrophobicContact CB-CG1 4.31Å; I148-F168 HydrophobicContact CB-CE1 4.13Å; I148-F168 HydrophobicContact CB-CZ 3.97Å; I148-F168 HydrophobicContact CG2-CE1 4.02Å; I148-F168 HydrophobicContact CG2-CZ 3.82Å; I148-F168 VanDerWaalsContact O-CE1 3.27Å; I148-F168 WeakPolarHBondContact O-CE1 3.4Å; I148-E190 CarbonylContact O-C 3.6Å; I148-E190 WeakPolarHBondContact O-CA 3.48Å; I148-R191 PolarHBondContact N-O 3.08Å; I148-R191 PolarHBondContact O-N 3.49Å; I148-L193 HydrophobicContact CD1-CD1 4.24Å; I148-L193 HydrophobicContact CD1-CD2 3.92Å; I148-L193 HydrophobicContact CD1-CG 4.46Å; I148-L193 HydrophobicContact CG1-CD1 3.97Å; I148-L193 HydrophobicContact CG1-CD2 4.14Å; I148-L193 HydrophobicContact CG1-CG 4.19Å
149	Y	98.7	Very high	96.7	Very high	33 Å²	33	47.5 Å²	47.5	13%	0.129	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.2	179.9	84.9	-78.5	0	0	0	112.8	E86 K110 C111 Y112 I113 V188 L189	E86-Y149 HydrophobicContact CG-CE1 4.39Å; E86-Y149 WeakPolarHBondContact OE1-CE1 3.34Å; E86-Y149 PolarHBondContact OE1-OH 3.32Å; E86-Y149 PolarHBondContact OE2-OH 3.25Å; K110-Y149 HydrophobicContact CB-CD1 3.9Å; K110-Y149 HydrophobicContact CB-CE1 3.92Å; K110-Y149 HydrophobicContact CD-CD1 4.03Å; K110-Y149 HydrophobicContact CD-CE1 4.26Å; C111-Y149 PolarHBondContact O-N 3.32Å; Y112-Y149 WeakPolarHBondContact CA-O 3.16Å; Y112-Y149 HydrophobicContact CD2-CD1 4.3Å; Y112-Y149 AromaticContact CD2-CD2 3.87Å; Y112-Y149 HydrophobicContact CD2-CD2 3.87Å; Y112-Y149 AromaticContact CD2-CE1 3.85Å; Y112-Y149 HydrophobicContact CD2-CE1 3.85Å; Y112-Y149 AromaticContact CD2-CE2 3.35Å; Y112-Y149 HydrophobicContact CD2-CE2 3.35Å; Y112-Y149 HydrophobicContact CD2-CG 4.31Å; Y112-Y149 AromaticContact CD2-CZ 3.33Å; Y112-Y149 WeakPolarHBondContact CD2-O 3.35Å; Y112-Y149 HydrophobicContact CE2-CD2 4.29Å; Y112-Y149 AromaticContact CE2-CE2 3.77Å; Y112-Y149 HydrophobicContact CE2-CE2 3.77Å; Y112-Y149 HydrophobicContact CG-CE1 4.23Å; Y112-Y149 HydrophobicContact CG-CE2 4.37Å; Y112-Y149 AromaticContact CG-CZ 3.93Å; I113-Y149 PolarHBondContact N-O 3.41Å; Y149-V188 HydrophobicContact CD2-CG1 4.15Å; Y149-L189 CarbonylContact C-O 3.52Å; Y149-L189 WeakPolarHBondContact CA-O 3.15Å; Y149-L189 WeakPolarHBondContact CB-O 3.38Å
150	L	98.8	Very high	96.8	Very high	7 Å²	7	48 Å²	48	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	173.5	178.8	67.9	142.6	0	0	0	112.5	I113 V152 Y163 F168 V188 L189	I113-L150 HydrophobicContact CB-CB 4.1Å; L150-V152 HydrophobicContact CD1-CG2 3.49Å; L150-V152 VanDerWaalsContact CD1-CG2 3.49Å; L150-V152 HydrophobicContact CG-CG2 4.25Å; L150-Y163 HydrophobicContact CD1-CD1 4.44Å; L150-Y163 HydrophobicContact CD1-CD2 3.91Å; L150-Y163 HydrophobicContact CD1-CE1 3.9Å; L150-Y163 HydrophobicContact CD1-CE2 3.34Å; L150-Y163 HydrophobicContact CD1-CG 4.46Å; L150-Y163 HydrophobicContact CD2-CD1 3.82Å; L150-Y163 HydrophobicContact CD2-CD2 4.46Å; L150-Y163 HydrophobicContact CD2-CE1 3.74Å; L150-Y163 HydrophobicContact CD2-CE2 4.43Å; L150-Y163 HydrophobicContact CD2-CG 4.2Å; L150-Y163 HydrophobicContact CG-CE2 4.48Å; L150-F168 HydrophobicContact CD2-CD1 3.79Å; L150-F168 HydrophobicContact CD2-CE1 3.56Å; L150-F168 HydrophobicContact CD2-CZ 4.34Å; L150-V188 WeakPolarHBondContact O-CA 3.42Å; L150-L189 HydrophobicContact CD2-CB 4.22Å; L150-L189 HydrophobicContact CG-CB 4.37Å; L150-L189 PolarHBondContact N-O 2.7Å; L150-L189 PolarHBondContact O-N 2.92Å
151	H	98.4	Very high	96.9	Very high	38 Å²	38	49.3 Å²	49.3	18%	0.176	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136	171.4	-62.2	88	0	0	0	110.7	Y112 Y177 A186 Y187	Y112-H151 AromaticContact CE2-CE1 3.82Å; Y112-H151 AromaticContact CE2-ND1 3.35Å; Y112-H151 WeakPolarHBondContact CE2-ND1 3.47Å; Y112-H151 AromaticContact CZ-ND1 3.62Å; Y112-H151 PolarHBondContact OH-ND1 3.06Å; H151-Y177 HydrophobicContact CB-CE1 3.95Å; H151-Y177 HydrophobicContact CB-CE2 4Å; H151-Y177 AromaticContact CD2-CD2 3.82Å; H151-Y177 AromaticContact CD2-CE2 3.43Å; H151-Y177 VanDerWaalsContact CD2-CE2 3.43Å; H151-Y177 WeakPolarHBondContact CD2-CE2 3.27Å; H151-Y177 AromaticContact CD2-CZ 4Å; H151-Y177 AromaticContact CE1-CE2 3.81Å; H151-Y177 AromaticContact CG-CE2 3.41Å; H151-Y177 VanDerWaalsContact CG-CE2 3.41Å; H151-Y177 AromaticContact CG-CZ 3.49Å; H151-Y177 VanDerWaalsContact CG-CZ 3.49Å; H151-Y177 AromaticContact ND1-CE2 3.64Å; H151-Y177 AromaticContact ND1-CZ 3.73Å; H151-Y177 PolarHBondContact ND1-OH 3.09Å; H151-Y177 AromaticContact NE2-CE2 3.68Å; H151-A186 HydrophobicContact CB-CB 4.1Å; H151-Y187 CarbonylContact C-O 3.56Å; H151-Y187 VanDerWaalsContact CA-O 3.32Å; H151-Y187 WeakPolarHBondContact CA-O 3.29Å
152	V	98.2	Very high	97.2	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128.7	174.5	-179.9	0	0	0	0	108.7	L150 V154 N156 A159 V160 Y163 A186 Y187 L189	L150-V152 HydrophobicContact CD1-CG2 3.49Å; L150-V152 VanDerWaalsContact CD1-CG2 3.49Å; L150-V152 HydrophobicContact CG-CG2 4.25Å; V152-V154 PolarHBondContact O-N 2.91Å; V152-N156 HydrophobicContact CG1-CB 3.95Å; V152-A159 HydrophobicContact CG1-CB 3.69Å; V152-V160 HydrophobicContact CB-CG2 4.43Å; V152-V160 HydrophobicContact CG1-CG2 3.84Å; V152-Y163 HydrophobicContact CG2-CD2 4.04Å; V152-Y163 HydrophobicContact CG2-CE2 4.04Å; V152-A186 CarbonylContact O-C 3.51Å; V152-A186 WeakPolarHBondContact O-CA 3.27Å; V152-Y187 PolarHBondContact N-O 2.89Å; V152-Y187 PolarHBondContact O-N 3.15Å; V152-L189 HydrophobicContact CB-CD1 3.94Å; V152-L189 HydrophobicContact CG2-CD1 3.93Å; V152-L189 HydrophobicContact CG2-CD2 4.5Å
153	H	98	Very high	97.5	Very high	29 Å²	29	39.5 Å²	39.5	13%	0.134	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	133.2	172.8	-177.9	-86.8	0	0	0	111	G155 N156 Y178 I181 P183	H153-G155 PolarHBondContact ND1-N 3.45Å; H153-G155 PolarHBondContact O-N 3.37Å; H153-G155 VanDerWaalsContact O-N 3.16Å; H153-N156 HydrophobicContact CB-CB 4.34Å; H153-N156 VanDerWaalsContact O-CB 3.3Å; H153-N156 WeakPolarHBondContact O-CB 3.49Å; H153-N156 PolarHBondContact O-N 2.98Å; H153-Y178 VanDerWaalsContact CA-CE2 3.43Å; H153-Y178 HydrophobicContact CB-CD2 4.01Å; H153-Y178 HydrophobicContact CB-CE2 3.54Å; H153-Y178 AromaticContact CD2-CD2 3.59Å; H153-Y178 PolarHBondContact N-OH 3.37Å; H153-I181 WeakPolarHBondContact NE2-CG2 3.48Å; H153-P183 PolarHBondContact CD2-O 3.35Å; H153-P183 PolarHBondContact NE2-O 2.87Å
154	V	97.6	Very high	97.8	Very high	27 Å²	27	43.3 Å²	43.3	16%	0.164	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.1	-172.2	-62.7	0	0	0	0	113.2	V152 N156 P183 T185 Y187	V152-V154 PolarHBondContact O-N 2.91Å; V154-N156 PolarHBondContact O-N 2.87Å; V154-P183 HydrophobicContact CG2-CB 4.1Å; V154-P183 HydrophobicContact CG2-CG 3.27Å; V154-T185 HydrophobicContact CG1-CG2 3.7Å; V154-T185 PolarHBondContact N-O 2.72Å; V154-Y187 HydrophobicContact CB-CD2 4.03Å; V154-Y187 HydrophobicContact CB-CE2 3.6Å; V154-Y187 HydrophobicContact CG1-CD1 4Å; V154-Y187 HydrophobicContact CG1-CD2 3.74Å; V154-Y187 HydrophobicContact CG1-CE1 3.89Å; V154-Y187 HydrophobicContact CG1-CE2 3.63Å; V154-Y187 HydrophobicContact CG1-CG 3.9Å
155	G	96.4	Very high	98	Very high	52 Å²	52	47.8 Å²	47.8	54%	0.536	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	0.5	173.8	0	0	0	0	0	115.5	H153 E157	H153-G155 PolarHBondContact ND1-N 3.45Å; H153-G155 PolarHBondContact O-N 3.37Å; H153-G155 VanDerWaalsContact O-N 3.16Å; G155-E157 PolarHBondContact O-N 2.8Å
156	N	96.9	Very high	98.1	Very high	80 Å²	80	49 Å²	49	43%	0.428	26%	0.262	S	S	.	.			trans	-96.3	64.1	178.4	-168.3	-10.3	0	0	0	111	V152 H153 V154 G158 A159 V160	V152-N156 HydrophobicContact CG1-CB 3.95Å; H153-N156 HydrophobicContact CB-CB 4.34Å; H153-N156 VanDerWaalsContact O-CB 3.3Å; H153-N156 WeakPolarHBondContact O-CB 3.49Å; H153-N156 PolarHBondContact O-N 2.98Å; V154-N156 PolarHBondContact O-N 2.87Å; N156-G158 PolarHBondContact O-N 2.82Å; N156-A159 HydrophobicContact CB-CB 4.3Å; N156-A159 VanDerWaalsContact CG-CB 3.43Å; N156-A159 PolarHBondContact O-N 2.84Å; N156-A159 VanDerWaalsContact O-N 3.08Å; N156-A159 VanDerWaalsContact OD1-CB 3.3Å; N156-A159 WeakPolarHBondContact OD1-CB 3.41Å; N156-A159 PolarHBondContact OD1-N 2.9Å; N156-A159 VanDerWaalsContact OD1-N 3.14Å; N156-V160 PolarHBondContact O-N 3.27Å; N156-V160 VanDerWaalsContact O-N 3.1Å
157	E	97.6	Very high	98.1	Very high	156 Å²	156	45.8 Å²	45.8	73%	0.729	26%	0.26	S	S	*	.	H	α-helix	trans	-55.6	-37.1	-178.4	-62	179.9	176.6	0	0	112.5	G155 A159 V160 A161	G155-E157 PolarHBondContact O-N 2.8Å; E157-A159 PolarHBondContact O-N 3.14Å; E157-V160 PolarHBondContact O-N 3.4Å; E157-A161 WeakPolarHBondContact O-CB 3.22Å; E157-A161 PolarHBondContact O-N 3.38Å
158	G	97.6	Very high	98.2	Very high	54 Å²	54	45.9 Å²	45.9	56%	0.557	26%	0.261	S	S	*	.	H	α-helix	trans	-62.1	-39.9	177.7	0	0	0	0	0	113.1	N156 F162	N156-G158 PolarHBondContact O-N 2.82Å; G158-F162 WeakPolarHBondContact O-CB 3.46Å; G158-F162 PolarHBondContact O-N 3.34Å
159	A	98	Very high	98.2	Very high	18 Å²	18	52.4 Å²	52.4	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-70.3	-43.4	173.9	0	0	0	0	0	111.5	V152 N156 E157 A161 F162 Y163	V152-A159 HydrophobicContact CG1-CB 3.69Å; N156-A159 HydrophobicContact CB-CB 4.3Å; N156-A159 VanDerWaalsContact CG-CB 3.43Å; N156-A159 PolarHBondContact O-N 2.84Å; N156-A159 VanDerWaalsContact O-N 3.08Å; N156-A159 VanDerWaalsContact OD1-CB 3.3Å; N156-A159 WeakPolarHBondContact OD1-CB 3.41Å; N156-A159 PolarHBondContact OD1-N 2.9Å; N156-A159 VanDerWaalsContact OD1-N 3.14Å; E157-A159 PolarHBondContact O-N 3.14Å; A159-A161 PolarHBondContact O-N 3.26Å; A159-F162 WeakPolarHBondContact O-CA 3.46Å; A159-F162 WeakPolarHBondContact O-CB 3.4Å; A159-F162 PolarHBondContact O-N 2.48Å; A159-F162 VanDerWaalsContact O-N 3.12Å; A159-Y163 HydrophobicContact CB-CE2 4.43Å; A159-Y163 WeakPolarHBondContact O-CD2 3.18Å; A159-Y163 PolarHBondContact O-N 2.92Å
160	V	98.6	Very high	98.2	Very high	14 Å²	14	53.8 Å²	53.8	9%	0.085	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-49.7	176	175.1	0	0	0	0	110.7	V152 N156 E157 F162 Y163 K164 I170 Y187	V152-V160 HydrophobicContact CB-CG2 4.43Å; V152-V160 HydrophobicContact CG1-CG2 3.84Å; N156-V160 PolarHBondContact O-N 3.27Å; N156-V160 VanDerWaalsContact O-N 3.1Å; E157-V160 PolarHBondContact O-N 3.4Å; V160-F162 VanDerWaalsContact C-N 3.3Å; V160-F162 PolarHBondContact O-N 2.9Å; V160-Y163 PolarHBondContact O-N 2.95Å; V160-K164 HydrophobicContact CG1-CD 4.09Å; V160-K164 HydrophobicContact CG1-CG 4.41Å; V160-K164 WeakPolarHBondContact O-CB 3.11Å; V160-K164 WeakPolarHBondContact O-CG 3.23Å; V160-K164 PolarHBondContact O-N 2.82Å; V160-I170 HydrophobicContact CG1-CD1 4.23Å; V160-Y187 HydrophobicContact CG2-CD2 3.96Å
161	A	98.5	Very high	98.1	Very high	48 Å²	48	57.1 Å²	57.1	40%	0.397	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-37.1	176.3	0	0	0	0	0	112	E157 A159 R165	E157-A161 WeakPolarHBondContact O-CB 3.22Å; E157-A161 PolarHBondContact O-N 3.38Å; A159-A161 PolarHBondContact O-N 3.26Å; A161-R165 WeakPolarHBondContact O-CG 3.4Å; A161-R165 PolarHBondContact O-N 2.83Å; A161-R165 PolarHBondContact O-NH1 3.47Å
162	F	98.7	Very high	98.1	Very high	30 Å²	30	56.8 Å²	56.8	13%	0.132	33%	0.328	C	S	.	.	H	α-helix	trans	-58.4	-54.3	173.4	169.4	-93.3	0	0	0	111.7	L116 G128 L132 G158 A159 V160 R165 F166	L116-F162 HydrophobicContact CD2-CE1 4.31Å; G128-F162 WeakPolarHBondContact O-CZ 3.33Å; L132-F162 HydrophobicContact CB-CE1 4.28Å; L132-F162 HydrophobicContact CB-CZ 3.97Å; L132-F162 HydrophobicContact CD2-CD1 4.49Å; L132-F162 HydrophobicContact CD2-CE1 3.57Å; L132-F162 HydrophobicContact CD2-CZ 3.78Å; G158-F162 WeakPolarHBondContact O-CB 3.46Å; G158-F162 PolarHBondContact O-N 3.34Å; A159-F162 WeakPolarHBondContact O-CA 3.46Å; A159-F162 WeakPolarHBondContact O-CB 3.4Å; A159-F162 PolarHBondContact O-N 2.48Å; A159-F162 VanDerWaalsContact O-N 3.12Å; V160-F162 VanDerWaalsContact C-N 3.3Å; V160-F162 PolarHBondContact O-N 2.9Å; F162-R165 PolarHBondContact O-N 3.3Å; F162-F166 HydrophobicContact CD2-CE2 4.11Å; F162-F166 HydrophobicContact CE1-CE2 4.45Å; F162-F166 HydrophobicContact CE2-CD2 4.42Å; F162-F166 AromaticContact CE2-CE2 3.6Å; F162-F166 HydrophobicContact CE2-CE2 3.6Å; F162-F166 HydrophobicContact CE2-CZ 4.34Å; F162-F166 HydrophobicContact CZ-CD2 4.31Å; F162-F166 AromaticContact CZ-CE2 3.79Å; F162-F166 HydrophobicContact CZ-CE2 3.79Å; F162-F166 VanDerWaalsContact O-CD2 3.22Å; F162-F166 WeakPolarHBondContact O-CD2 3.47Å
163	Y	98.8	Very high	98.1	Very high	12 Å²	12	62.3 Å²	62.3	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-68.3	-37.7	-177.2	-72.5	-70.6	0	0	0	112.9	L132 L150 V152 A159 V160 R165 F166 F168 L189	L132-Y163 HydrophobicContact CD1-CE1 4.17Å; L132-Y163 HydrophobicContact CD2-CD1 3.89Å; L132-Y163 HydrophobicContact CD2-CE1 4.06Å; L150-Y163 HydrophobicContact CD1-CD1 4.44Å; L150-Y163 HydrophobicContact CD1-CD2 3.91Å; L150-Y163 HydrophobicContact CD1-CE1 3.9Å; L150-Y163 HydrophobicContact CD1-CE2 3.34Å; L150-Y163 HydrophobicContact CD1-CG 4.46Å; L150-Y163 HydrophobicContact CD2-CD1 3.82Å; L150-Y163 HydrophobicContact CD2-CD2 4.46Å; L150-Y163 HydrophobicContact CD2-CE1 3.74Å; L150-Y163 HydrophobicContact CD2-CE2 4.43Å; L150-Y163 HydrophobicContact CD2-CG 4.2Å; L150-Y163 HydrophobicContact CG-CE2 4.48Å; V152-Y163 HydrophobicContact CG2-CD2 4.04Å; V152-Y163 HydrophobicContact CG2-CE2 4.04Å; A159-Y163 HydrophobicContact CB-CE2 4.43Å; A159-Y163 WeakPolarHBondContact O-CD2 3.18Å; A159-Y163 PolarHBondContact O-N 2.92Å; V160-Y163 PolarHBondContact O-N 2.95Å; Y163-R165 VanDerWaalsContact C-N 3.26Å; Y163-R165 PolarHBondContact O-N 3.43Å; Y163-F166 CarbonylContact O-C 3.57Å; Y163-F166 WeakPolarHBondContact O-CA 3.48Å; Y163-F166 PolarHBondContact O-N 3.45Å; Y163-F168 HydrophobicContact CD1-CD2 4.13Å; Y163-F168 HydrophobicContact CD1-CE2 4.16Å; Y163-F168 HydrophobicContact CD1-CG 4.33Å; Y163-F168 HydrophobicContact CD1-CZ 4.39Å; Y163-F168 WeakPolarHBondContact O-CB 3.35Å; Y163-F168 WeakPolarHBondContact O-CD2 3.39Å; Y163-F168 PolarHBondContact O-N 2.91Å; Y163-L189 HydrophobicContact CD2-CD2 4.28Å; Y163-L189 HydrophobicContact CG-CD2 4.22Å
164	K	98.7	Very high	98.1	Very high	112 Å²	112	63.5 Å²	63.5	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-56.3	-37.6	175.9	-78.7	-175.3	174	-174.6	0	113.1	V160 F166 G167 F168	V160-K164 HydrophobicContact CG1-CD 4.09Å; V160-K164 HydrophobicContact CG1-CG 4.41Å; V160-K164 WeakPolarHBondContact O-CB 3.11Å; V160-K164 WeakPolarHBondContact O-CG 3.23Å; V160-K164 PolarHBondContact O-N 2.82Å; K164-F166 PolarHBondContact O-N 3.3Å; K164-F166 VanDerWaalsContact O-N 3.14Å; K164-G167 PolarHBondContact O-N 3.43Å; K164-F168 WeakPolarHBondContact CA-O 3.34Å; K164-F168 WeakPolarHBondContact CG-O 3.49Å
165	R	98.4	Very high	98.1	Very high	163 Å²	163	66.2 Å²	66.2	62%	0.615	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.8	174.8	-68.3	-172	-44.1	-97.8	2.7	114.2	A161 F162 Y163	A161-R165 WeakPolarHBondContact O-CG 3.4Å; A161-R165 PolarHBondContact O-N 2.83Å; A161-R165 PolarHBondContact O-NH1 3.47Å; F162-R165 PolarHBondContact O-N 3.3Å; Y163-R165 VanDerWaalsContact C-N 3.26Å; Y163-R165 PolarHBondContact O-N 3.43Å
166	F	98.2	Very high	98	Very high	37 Å²	37	69.2 Å²	69.2	16%	0.162	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	17.5	175.8	-66.3	-86.4	0	0	0	112.5	T129 L132 K133 I136 F162 Y163 K164 F168 R191	T129-F166 HydrophobicContact CG2-CE1 4.04Å; T129-F166 HydrophobicContact CG2-CZ 3.64Å; L132-F166 HydrophobicContact CD2-CB 3.78Å; L132-F166 HydrophobicContact CD2-CD1 4.13Å; L132-F166 HydrophobicContact CD2-CD2 3.43Å; L132-F166 VanDerWaalsContact CD2-CD2 3.43Å; L132-F166 HydrophobicContact CD2-CE2 4.02Å; L132-F166 HydrophobicContact CD2-CG 3.51Å; L132-F166 HydrophobicContact CG-CG 4.43Å; K133-F166 HydrophobicContact CG-CE1 4.26Å; I136-F166 HydrophobicContact CD1-CD1 4.49Å; F162-F166 HydrophobicContact CD2-CE2 4.11Å; F162-F166 HydrophobicContact CE1-CE2 4.45Å; F162-F166 HydrophobicContact CE2-CD2 4.42Å; F162-F166 AromaticContact CE2-CE2 3.6Å; F162-F166 HydrophobicContact CE2-CE2 3.6Å; F162-F166 HydrophobicContact CE2-CZ 4.34Å; F162-F166 HydrophobicContact CZ-CD2 4.31Å; F162-F166 AromaticContact CZ-CE2 3.79Å; F162-F166 HydrophobicContact CZ-CE2 3.79Å; F162-F166 VanDerWaalsContact O-CD2 3.22Å; F162-F166 WeakPolarHBondContact O-CD2 3.47Å; Y163-F166 CarbonylContact O-C 3.57Å; Y163-F166 WeakPolarHBondContact O-CA 3.48Å; Y163-F166 PolarHBondContact O-N 3.45Å; K164-F166 PolarHBondContact O-N 3.3Å; K164-F166 VanDerWaalsContact O-N 3.14Å; F166-F168 HydrophobicContact CB-CD2 4.16Å; F166-F168 HydrophobicContact CB-CE2 4.31Å; F166-R191 WeakPolarHBondContact O-CD 3.23Å; F166-R191 PolarHBondContact O-NE 3.45Å
167	G	98.2	Very high	97.9	Very high	44 Å²	44	69.4 Å²	69.4	45%	0.454	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	18.4	176.4	0	0	0	0	0	114.6	K164 R191	K164-G167 PolarHBondContact O-N 3.43Å; G167-R191 WeakPolarHBondContact O-CG 3.41Å
168	F	98.7	Very high	97.7	Very high	3 Å²	3	63.6 Å²	63.6	1%	0.013	35%	0.353	C	S	.	.			trans	-81.5	140.4	167.9	-71.6	-106.6	0	0	0	110.3	L132 I148 L150 Y163 K164 F166 L189 E190 R191	L132-F168 HydrophobicContact CD1-CE2 4.1Å; L132-F168 HydrophobicContact CD1-CZ 4.15Å; L132-F168 HydrophobicContact CD2-CE2 4.19Å; I148-F168 HydrophobicContact CB-CE1 4.13Å; I148-F168 HydrophobicContact CB-CZ 3.97Å; I148-F168 HydrophobicContact CG2-CE1 4.02Å; I148-F168 HydrophobicContact CG2-CZ 3.82Å; I148-F168 VanDerWaalsContact O-CE1 3.27Å; I148-F168 WeakPolarHBondContact O-CE1 3.4Å; L150-F168 HydrophobicContact CD2-CD1 3.79Å; L150-F168 HydrophobicContact CD2-CE1 3.56Å; L150-F168 HydrophobicContact CD2-CZ 4.34Å; Y163-F168 HydrophobicContact CD1-CD2 4.13Å; Y163-F168 HydrophobicContact CD1-CE2 4.16Å; Y163-F168 HydrophobicContact CD1-CG 4.33Å; Y163-F168 HydrophobicContact CD1-CZ 4.39Å; Y163-F168 WeakPolarHBondContact O-CB 3.35Å; Y163-F168 WeakPolarHBondContact O-CD2 3.39Å; Y163-F168 PolarHBondContact O-N 2.91Å; K164-F168 WeakPolarHBondContact CA-O 3.34Å; K164-F168 WeakPolarHBondContact CG-O 3.49Å; F166-F168 HydrophobicContact CB-CD2 4.16Å; F166-F168 HydrophobicContact CB-CE2 4.31Å; F168-L189 HydrophobicContact CB-CB 4.29Å; F168-L189 HydrophobicContact CB-CD2 4.37Å; F168-L189 HydrophobicContact CD1-CB 4.25Å; F168-E190 WeakPolarHBondContact CA-O 3.14Å; F168-R191 HydrophobicContact CB-CB 4.43Å; F168-R191 HydrophobicContact CD1-CB 3.79Å; F168-R191 HydrophobicContact CD2-CB 3.77Å; F168-R191 HydrophobicContact CE1-CB 3.88Å; F168-R191 HydrophobicContact CE2-CB 3.86Å; F168-R191 HydrophobicContact CG-CB 3.73Å; F168-R191 HydrophobicContact CZ-CB 3.91Å
169	E	98.6	Very high	97.5	Very high	137 Å²	137	71.2 Å²	71.2	64%	0.64	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	154.5	176.7	-63.8	179.1	171.6	0	0	109.9	T171 L189 E190	E169-T171 PolarHBondContact O-N 2.79Å; E169-L189 CarbonylContact O-C 3.58Å; E169-L189 VanDerWaalsContact O-CA 3.23Å; E169-L189 WeakPolarHBondContact O-CA 3.17Å; E169-E190 PolarHBondContact N-O 3.48Å; E169-E190 PolarHBondContact O-N 3.11Å
170	I	98.6	Very high	97.2	Very high	62 Å²	62	80.7 Å²	80.7	32%	0.318	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.1	172	-62.1	171.8	0	0	0	106.9	V160 Y187 V188 L189	V160-I170 HydrophobicContact CG1-CD1 4.23Å; I170-Y187 HydrophobicContact CD1-CD1 4.02Å; I170-Y187 HydrophobicContact CD1-CD2 4.15Å; I170-Y187 HydrophobicContact CD1-CE1 4.17Å; I170-Y187 HydrophobicContact CD1-CE2 4.3Å; I170-Y187 HydrophobicContact CD1-CG 4.04Å; I170-Y187 HydrophobicContact CG1-CD1 4.43Å; I170-Y187 HydrophobicContact CG1-CG 4.34Å; I170-Y187 HydrophobicContact CG2-CD1 3.6Å; I170-Y187 HydrophobicContact CG2-CE1 4.27Å; I170-Y187 HydrophobicContact CG2-CG 4.18Å; I170-V188 WeakPolarHBondContact CA-O 3.4Å; I170-L189 HydrophobicContact CG1-CD1 4.34Å; I170-L189 HydrophobicContact CG1-CG 4.3Å
171	T	98.1	Very high	96.9	Very high	77 Å²	77	81.8 Å²	81.8	47%	0.472	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-5.8	-177.5	53.1	0	0	0	0	113.2	E169 V188 E190	E169-T171 PolarHBondContact O-N 2.79Å; T171-V188 PolarHBondContact N-O 3.32Å; T171-E190 HydrophobicContact CG2-CB 3.82Å
172	G	97.8	Very high	96.7	Very high	31 Å²	31	86.6 Å²	86.6	32%	0.32	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.7	178.7	175.6	0	0	0	0	0	112.8	V188	G172-V188 PolarHBondContact O-N 2.88Å
173	E	97.8	Very high	96.5	Very high	123 Å²	123	88.2 Å²	88.2	58%	0.575	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.1	175.9	-75.4	-179.4	-146.7	0	0	109.5	T185 A186 Y187	E173-T185 HydrophobicContact CB-CG2 4.27Å; E173-A186 CarbonylContact C-O 3.35Å; E173-A186 WeakPolarHBondContact CA-O 3.45Å; E173-Y187 HydrophobicContact CG-CD1 3.51Å; E173-Y187 HydrophobicContact CG-CE1 3.71Å; E173-Y187 VanDerWaalsContact OE1-CE1 3.27Å; E173-Y187 WeakPolarHBondContact OE1-CE1 3.38Å
174	V	97.7	Very high	96.4	Very high	53 Å²	53	89.8 Å²	89.8	32%	0.321	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	110	177.3	-174	0	0	0	0	108.5	Y177 T185 A186 V188	V174-Y177 HydrophobicContact CB-CD2 4.33Å; V174-Y177 HydrophobicContact CG1-CD2 4.07Å; V174-T185 WeakPolarHBondContact O-CA 3.38Å; V174-A186 PolarHBondContact N-O 2.91Å; V174-A186 PolarHBondContact O-N 2.97Å; V174-V188 HydrophobicContact CG2-CG2 3.75Å
175	S	97.3	Very high	96.4	Very high	84 Å²	84	86 Å²	86	59%	0.587	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	154.1	170	-36.3	0	0	0	0	110.9	Y177	S175-Y177 PolarHBondContact O-N 3.06Å
176	D	95.6	Very high	96.4	Very high	115 Å²	115	78.3 Å²	78.3	62%	0.615	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	20.5	174.2	-50.2	-45.9	0	0	0	115.3	Q184	D176-Q184 PolarHBondContact OD1-OE1 3.01Å
177	Y	95.5	Very high	96.4	Very high	85 Å²	85	79.3 Å²	79.3	33%	0.333	40%	0.397	S	S	.	.			trans	-68.4	-48.8	179.5	-172.2	-83.8	0	0	0	111.3	Y112 H151 V174 S175 Q184 A186	Y112-Y177 PolarHBondContact OH-OH 3.43Å; H151-Y177 HydrophobicContact CB-CE1 3.95Å; H151-Y177 HydrophobicContact CB-CE2 4Å; H151-Y177 AromaticContact CD2-CD2 3.82Å; H151-Y177 AromaticContact CD2-CE2 3.43Å; H151-Y177 VanDerWaalsContact CD2-CE2 3.43Å; H151-Y177 WeakPolarHBondContact CD2-CE2 3.27Å; H151-Y177 AromaticContact CD2-CZ 4Å; H151-Y177 AromaticContact CE1-CE2 3.81Å; H151-Y177 AromaticContact CG-CE2 3.41Å; H151-Y177 VanDerWaalsContact CG-CE2 3.41Å; H151-Y177 AromaticContact CG-CZ 3.49Å; H151-Y177 VanDerWaalsContact CG-CZ 3.49Å; H151-Y177 AromaticContact ND1-CE2 3.64Å; H151-Y177 AromaticContact ND1-CZ 3.73Å; H151-Y177 PolarHBondContact ND1-OH 3.09Å; H151-Y177 AromaticContact NE2-CE2 3.68Å; V174-Y177 HydrophobicContact CB-CD2 4.33Å; V174-Y177 HydrophobicContact CG1-CD2 4.07Å; S175-Y177 PolarHBondContact O-N 3.06Å; Y177-Q184 PolarHBondContact N-O 2.86Å; Y177-A186 HydrophobicContact CD1-CB 3.84Å; Y177-A186 HydrophobicContact CD2-CB 4.27Å; Y177-A186 HydrophobicContact CG-CB 3.69Å
178	Y	93.4	Very high	96.4	Very high	33 Å²	33	78.2 Å²	78.2	13%	0.129	38%	0.382	C	S	.	.			trans	-99	88.9	-180	-62.5	-73.4	0	0	0	111.6	V51 H153 R180 I181 Q184 A186	V51-Y178 HydrophobicContact CG1-CD1 3.86Å; V51-Y178 HydrophobicContact CG1-CE1 4.23Å; H153-Y178 VanDerWaalsContact CA-CE2 3.43Å; H153-Y178 HydrophobicContact CB-CD2 4.01Å; H153-Y178 HydrophobicContact CB-CE2 3.54Å; H153-Y178 AromaticContact CD2-CD2 3.59Å; H153-Y178 PolarHBondContact N-OH 3.37Å; Y178-R180 PolarHBondContact O-N 3.3Å; Y178-I181 HydrophobicContact CD1-CD1 4.27Å; Y178-I181 HydrophobicContact CG-CD1 4.48Å; Y178-I181 PolarHBondContact O-N 2.6Å; Y178-I181 VanDerWaalsContact O-O 3.11Å; Y178-Q184 PolarHBondContact N-O 3.15Å; Y178-Q184 WeakPolarHBondContact O-CB 3.28Å; Y178-Q184 WeakPolarHBondContact O-CG 3.32Å; Y178-A186 HydrophobicContact CD2-CB 4.17Å; Y178-A186 HydrophobicContact CE2-CB 3.56Å
179	R	91.6	Very high	96.4	Very high	214 Å²	214	78 Å²	78	81%	0.808	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.2	-175.4	-63.4	-174.4	-177.8	176.4	-0.3	116.6	Q184	R179-Q184 PolarHBondContact O-NE2 2.82Å
180	R	92.1	Very high	96.4	Very high	218 Å²	218	73 Å²	73	82%	0.823	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	5.1	-172.2	-63.8	-174.3	-178.8	173.5	-0.6	114	Y178	Y178-R180 PolarHBondContact O-N 3.3Å
181	I	92.6	Very high	96.4	Very high	37 Å²	37	71.7 Å²	71.7	19%	0.19	35%	0.349	C	S	.	.	S	Bend	trans	-134.6	134	-174.6	-49.5	165.3	0	0	0	107.5	P50 V51 H153 Y178 P183 Q184	P50-I181 HydrophobicContact CB-CD1 3.5Å; P50-I181 VanDerWaalsContact CB-CD1 3.5Å; P50-I181 HydrophobicContact CB-CG1 4.33Å; P50-I181 HydrophobicContact CG-CD1 3.31Å; V51-I181 HydrophobicContact CG1-CD1 4.09Å; H153-I181 WeakPolarHBondContact NE2-CG2 3.48Å; Y178-I181 HydrophobicContact CD1-CD1 4.27Å; Y178-I181 HydrophobicContact CG-CD1 4.48Å; Y178-I181 PolarHBondContact O-N 2.6Å; Y178-I181 VanDerWaalsContact O-O 3.11Å; I181-P183 CarbonylContact O-C 3.54Å; I181-Q184 WeakPolarHBondContact O-CA 3.28Å; I181-Q184 WeakPolarHBondContact O-CG 3.31Å; I181-Q184 PolarHBondContact O-N 2.5Å
182	H	94.1	Very high	96.4	Very high	149 Å²	149	72.1 Å²	72.1	69%	0.69	36%	0.355	S	S	*	.	S	Bend	trans	-107.8	140.3	177.8	-72.8	-79.9	0	0	0	111.5	Q184	H182-Q184 PolarHBondContact CE1-NE2 3.02Å
183	P	95.7	Very high	96.3	Very high	64 Å²	64	71.8 Å²	71.8	42%	0.416	35%	0.346	S	S	.	.	S	Bend	cis	-62.9	147.3	-9.5	27.7	-37.7	0	0	0	113	H153 V154 I181 T185	H153-P183 PolarHBondContact CD2-O 3.35Å; H153-P183 PolarHBondContact NE2-O 2.87Å; V154-P183 HydrophobicContact CG2-CB 4.1Å; V154-P183 HydrophobicContact CG2-CG 3.27Å; I181-P183 CarbonylContact O-C 3.54Å; P183-T185 PolarHBondContact O-N 2.81Å; P183-T185 VanDerWaalsContact O-N 3.1Å
184	Q	96.4	Very high	95.9	Very high	45 Å²	45	68.2 Å²	68.2	21%	0.21	34%	0.335	C	S	.	.			trans	-74.7	-2	-176.5	-57.7	-165.3	-10.4	0	0	113.6	D176 Y177 Y178 R179 I181 H182	D176-Q184 PolarHBondContact OD1-OE1 3.01Å; Y177-Q184 PolarHBondContact N-O 2.86Å; Y178-Q184 PolarHBondContact N-O 3.15Å; Y178-Q184 WeakPolarHBondContact O-CB 3.28Å; Y178-Q184 WeakPolarHBondContact O-CG 3.32Å; R179-Q184 PolarHBondContact O-NE2 2.82Å; I181-Q184 WeakPolarHBondContact O-CA 3.28Å; I181-Q184 WeakPolarHBondContact O-CG 3.31Å; I181-Q184 PolarHBondContact O-N 2.5Å; H182-Q184 PolarHBondContact CE1-NE2 3.02Å
185	T	97.8	Very high	95	Very high	33 Å²	33	69.2 Å²	69.2	20%	0.202	35%	0.348	C	S	.	.			trans	-77.1	140.2	-174.6	-46.9	0	0	0	0	112.1	V154 E173 V174 P183	V154-T185 HydrophobicContact CG1-CG2 3.7Å; V154-T185 PolarHBondContact N-O 2.72Å; E173-T185 HydrophobicContact CB-CG2 4.27Å; V174-T185 WeakPolarHBondContact O-CA 3.38Å; P183-T185 PolarHBondContact O-N 2.81Å; P183-T185 VanDerWaalsContact O-N 3.1Å
186	A	98.3	Very high	94.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.3	167.5	0	0	0	0	0	110.7	H151 V152 E173 V174 Y177 Y178	H151-A186 HydrophobicContact CB-CB 4.1Å; V152-A186 CarbonylContact O-C 3.51Å; V152-A186 WeakPolarHBondContact O-CA 3.27Å; E173-A186 CarbonylContact C-O 3.35Å; E173-A186 WeakPolarHBondContact CA-O 3.45Å; V174-A186 PolarHBondContact N-O 2.91Å; V174-A186 PolarHBondContact O-N 2.97Å; Y177-A186 HydrophobicContact CD1-CB 3.84Å; Y177-A186 HydrophobicContact CD2-CB 4.27Å; Y177-A186 HydrophobicContact CG-CB 3.69Å; Y178-A186 HydrophobicContact CD2-CB 4.17Å; Y178-A186 HydrophobicContact CE2-CB 3.56Å
187	Y	98.7	Very high	93.6	Very high	58 Å²	58	66.1 Å²	66.1	23%	0.227	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	139	159.1	-68.6	-55.1	0	0	0	109.8	H151 V152 V154 V160 I170 E173 L189	H151-Y187 CarbonylContact C-O 3.56Å; H151-Y187 VanDerWaalsContact CA-O 3.32Å; H151-Y187 WeakPolarHBondContact CA-O 3.29Å; V152-Y187 PolarHBondContact N-O 2.89Å; V152-Y187 PolarHBondContact O-N 3.15Å; V154-Y187 HydrophobicContact CB-CD2 4.03Å; V154-Y187 HydrophobicContact CB-CE2 3.6Å; V154-Y187 HydrophobicContact CG1-CD1 4Å; V154-Y187 HydrophobicContact CG1-CD2 3.74Å; V154-Y187 HydrophobicContact CG1-CE1 3.89Å; V154-Y187 HydrophobicContact CG1-CE2 3.63Å; V154-Y187 HydrophobicContact CG1-CG 3.9Å; V160-Y187 HydrophobicContact CG2-CD2 3.96Å; I170-Y187 HydrophobicContact CD1-CD1 4.02Å; I170-Y187 HydrophobicContact CD1-CD2 4.15Å; I170-Y187 HydrophobicContact CD1-CE1 4.17Å; I170-Y187 HydrophobicContact CD1-CE2 4.3Å; I170-Y187 HydrophobicContact CD1-CG 4.04Å; I170-Y187 HydrophobicContact CG1-CD1 4.43Å; I170-Y187 HydrophobicContact CG1-CG 4.34Å; I170-Y187 HydrophobicContact CG2-CD1 3.6Å; I170-Y187 HydrophobicContact CG2-CE1 4.27Å; I170-Y187 HydrophobicContact CG2-CG 4.18Å; E173-Y187 HydrophobicContact CG-CD1 3.51Å; E173-Y187 HydrophobicContact CG-CE1 3.71Å; E173-Y187 VanDerWaalsContact OE1-CE1 3.27Å; E173-Y187 WeakPolarHBondContact OE1-CE1 3.38Å; Y187-L189 VanDerWaalsContact CB-CD1 3.49Å
188	V	98.7	Very high	92.7	Very high	21 Å²	21	63.4 Å²	63.4	13%	0.127	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118.6	161.2	-174.1	0	0	0	0	107.2	Y149 L150 I170 T171 G172 V174	Y149-V188 HydrophobicContact CD2-CG1 4.15Å; L150-V188 WeakPolarHBondContact O-CA 3.42Å; I170-V188 WeakPolarHBondContact CA-O 3.4Å; T171-V188 PolarHBondContact N-O 3.32Å; G172-V188 PolarHBondContact O-N 2.88Å; V174-V188 HydrophobicContact CG2-CG2 3.75Å
189	L	98.9	Very high	91.7	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131.7	173.4	-80.2	79.2	0	0	0	109.1	Y149 L150 V152 Y163 F168 E169 I170 Y187	Y149-L189 CarbonylContact C-O 3.52Å; Y149-L189 WeakPolarHBondContact CA-O 3.15Å; Y149-L189 WeakPolarHBondContact CB-O 3.38Å; L150-L189 HydrophobicContact CD2-CB 4.22Å; L150-L189 HydrophobicContact CG-CB 4.37Å; L150-L189 PolarHBondContact N-O 2.7Å; L150-L189 PolarHBondContact O-N 2.92Å; V152-L189 HydrophobicContact CB-CD1 3.94Å; V152-L189 HydrophobicContact CG2-CD1 3.93Å; V152-L189 HydrophobicContact CG2-CD2 4.5Å; Y163-L189 HydrophobicContact CD2-CD2 4.28Å; Y163-L189 HydrophobicContact CG-CD2 4.22Å; F168-L189 HydrophobicContact CB-CB 4.29Å; F168-L189 HydrophobicContact CB-CD2 4.37Å; F168-L189 HydrophobicContact CD1-CB 4.25Å; E169-L189 CarbonylContact O-C 3.58Å; E169-L189 VanDerWaalsContact O-CA 3.23Å; E169-L189 WeakPolarHBondContact O-CA 3.17Å; I170-L189 HydrophobicContact CG1-CD1 4.34Å; I170-L189 HydrophobicContact CG1-CG 4.3Å; Y187-L189 VanDerWaalsContact CB-CD1 3.49Å
190	E	98.7	Very high	91	Very high	32 Å²	32	66.2 Å²	66.2	15%	0.15	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.8	-178.7	-175.6	165	-174.8	0	0	111.3	K110 S147 I148 F168 E169 T171	K110-E190 WeakPolarHBondContact CE-OE1 3.19Å; K110-E190 VanDerWaalsContact NZ-CD 3.27Å; K110-E190 IonicContact NZ-OE1 2.72Å; K110-E190 PolarHBondContact NZ-OE1 3.13Å; K110-E190 IonicContact NZ-OE2 3.01Å; K110-E190 PolarHBondContact NZ-OE2 3.35Å; S147-E190 WeakPolarHBondContact CB-OE1 3.43Å; S147-E190 PolarHBondContact OG-OE1 2.89Å; I148-E190 CarbonylContact O-C 3.6Å; I148-E190 WeakPolarHBondContact O-CA 3.48Å; F168-E190 WeakPolarHBondContact CA-O 3.14Å; E169-E190 PolarHBondContact N-O 3.48Å; E169-E190 PolarHBondContact O-N 3.11Å; T171-E190 HydrophobicContact CG2-CB 3.82Å
191	R	98.3	Very high	90.1	Very high	33 Å²	33	56.4 Å²	56.4	13%	0.125	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.3	170.9	176.2	-169.8	178.7	-172.7	-4.5	108.9	I136 S147 I148 F166 G167 F168 E197	I136-R191 VanDerWaalsContact CG1-NH1 3.29Å; S147-R191 CarbonylContact C-O 3.57Å; S147-R191 WeakPolarHBondContact CA-O 3.44Å; S147-R191 WeakPolarHBondContact CB-O 3.21Å; I148-R191 PolarHBondContact N-O 3.08Å; I148-R191 PolarHBondContact O-N 3.49Å; F166-R191 WeakPolarHBondContact O-CD 3.23Å; F166-R191 PolarHBondContact O-NE 3.45Å; G167-R191 WeakPolarHBondContact O-CG 3.41Å; F168-R191 HydrophobicContact CB-CB 4.43Å; F168-R191 HydrophobicContact CD1-CB 3.79Å; F168-R191 HydrophobicContact CD2-CB 3.77Å; F168-R191 HydrophobicContact CE1-CB 3.88Å; F168-R191 HydrophobicContact CE2-CB 3.86Å; F168-R191 HydrophobicContact CG-CB 3.73Å; F168-R191 HydrophobicContact CZ-CB 3.91Å; R191-E197 IonicContact CZ-OE1 2.65Å; R191-E197 IonicContact NH2-OE1 2.73Å; R191-E197 PolarHBondContact NH2-OE1 3.23Å
192	S	97.6	Very high	88.8	Confident	87 Å²	87	59.7 Å²	59.7	61%	0.608	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	138.7	169.8	-63.2	0	0	0	0	111
193	L	96.2	Very high	87.4	Confident	23 Å²	23	56.7 Å²	56.7	12%	0.12	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-97.7	127	171.8	-61.7	-179.2	0	0	0	108.7	C139 L140 I145 K146 I148	C139-L193 HydrophobicContact CB-CD1 3.6Å; L140-L193 HydrophobicContact CD2-CB 4.22Å; L140-L193 HydrophobicContact CD2-CD1 4.39Å; L140-L193 HydrophobicContact CD2-CD2 4.15Å; L140-L193 HydrophobicContact CD2-CG 4.49Å; I145-L193 HydrophobicContact CB-CD1 4.16Å; I145-L193 HydrophobicContact CG2-CD1 3.91Å; K146-L193 PolarHBondContact O-N 3.41Å; I148-L193 HydrophobicContact CD1-CD1 4.24Å; I148-L193 HydrophobicContact CD1-CD2 3.92Å; I148-L193 HydrophobicContact CD1-CG 4.46Å; I148-L193 HydrophobicContact CG1-CD1 3.97Å; I148-L193 HydrophobicContact CG1-CD2 4.14Å; I148-L193 HydrophobicContact CG1-CG 4.19Å
194	S	88.4	Confident	85.7	Confident	49 Å²	49	60.5 Å²	60.5	34%	0.343	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-89.9	152.7	178.1	71.2	0	0	0	0	111.9	T196 E197 A198	S194-T196 PolarHBondContact O-N 3.34Å; S194-E197 WeakPolarHBondContact CB-OE2 3.31Å; S194-E197 PolarHBondContact N-OE2 3.28Å; S194-E197 PolarHBondContact O-N 3.41Å; S194-E197 VanDerWaalsContact OG-CG 3.23Å; S194-E197 WeakPolarHBondContact OG-CG 3.42Å; S194-E197 PolarHBondContact OG-N 3.22Å; S194-E197 PolarHBondContact OG-OE2 2.81Å; S194-A198 PolarHBondContact O-N 2.97Å
195	A	78.9	Confident	83.7	Confident	73 Å²	73	61.4 Å²	61.4	60%	0.603	34%	0.339	S	S	*	.	H	α-helix	trans	-64.6	-26	172.9	0	0	0	0	0	112.4
196	T	81.6	Confident	80.9	Confident	87 Å²	87	70.2 Å²	70.2	53%	0.534	39%	0.385	S	S	.	.	H	α-helix	trans	-66.5	-48.2	176.7	-50.6	0	0	0	0	111.1	S194 A198 R199 E200	S194-T196 PolarHBondContact O-N 3.34Å; T196-A198 PolarHBondContact O-N 2.91Å; T196-R199 PolarHBondContact O-N 3.4Å; T196-R199 VanDerWaalsContact O-N 3.13Å; T196-E200 PolarHBondContact O-N 2.81Å
197	E	82.7	Confident	80	Confident	47 Å²	47	73.7 Å²	73.7	22%	0.22	40%	0.404	C	S	.	.	H	α-helix	trans	-62.2	-32.1	178.3	-71.7	166.6	110.9	0	0	112.7	L140 R191 S194 R199 E200 S201	L140-E197 HydrophobicContact CD1-CB 4.12Å; L140-E197 HydrophobicContact CD2-CB 3.83Å; R191-E197 IonicContact CZ-OE1 2.65Å; R191-E197 IonicContact NH2-OE1 2.73Å; R191-E197 PolarHBondContact NH2-OE1 3.23Å; S194-E197 WeakPolarHBondContact CB-OE2 3.31Å; S194-E197 PolarHBondContact N-OE2 3.28Å; S194-E197 PolarHBondContact O-N 3.41Å; S194-E197 VanDerWaalsContact OG-CG 3.23Å; S194-E197 WeakPolarHBondContact OG-CG 3.42Å; S194-E197 PolarHBondContact OG-N 3.22Å; S194-E197 PolarHBondContact OG-OE2 2.81Å; E197-R199 VanDerWaalsContact C-N 3.32Å; E197-R199 PolarHBondContact O-N 2.87Å; E197-E200 PolarHBondContact O-N 3.48Å; E197-S201 PolarHBondContact O-N 3.08Å; E197-S201 VanDerWaalsContact O-N 3.08Å
198	A	75.5	Confident	79	Confident	28 Å²	28	74.5 Å²	74.5	23%	0.231	41%	0.414	C	S	.	.	H	α-helix	trans	-62.1	-42.6	176.8	0	0	0	0	0	111.2	L140 S194 T196 S201 D202	L140-A198 HydrophobicContact CD2-CB 4.35Å; S194-A198 PolarHBondContact O-N 2.97Å; T196-A198 PolarHBondContact O-N 2.91Å; A198-S201 PolarHBondContact O-N 2.73Å; A198-S201 PolarHBondContact O-OG 2.91Å; A198-D202 PolarHBondContact O-N 3.33Å
199	R	73.8	Confident	77.9	Confident	191 Å²	191	77.5 Å²	77.5	72%	0.721	43%	0.429	S	S	*	.	H	α-helix	trans	-67.8	-39.4	179	-63.8	174.7	-174.6	173.4	1.2	112.5	T196 E197 S201 D202	T196-R199 PolarHBondContact O-N 3.4Å; T196-R199 VanDerWaalsContact O-N 3.13Å; E197-R199 VanDerWaalsContact C-N 3.32Å; E197-R199 PolarHBondContact O-N 2.87Å; R199-S201 VanDerWaalsContact C-N 3.31Å; R199-S201 PolarHBondContact O-N 2.96Å; R199-D202 PolarHBondContact O-N 2.89Å
200	E	76.9	Confident	76.7	Confident	115 Å²	115	82.1 Å²	82.1	54%	0.537	46%	0.455	S	S	.	.	H	α-helix	trans	-63.8	-38.8	176.1	-68.8	173.8	-176.4	0	0	111.2	T196 E197 D202 S203	T196-E200 PolarHBondContact O-N 2.81Å; E197-E200 PolarHBondContact O-N 3.48Å; E200-D202 VanDerWaalsContact C-N 3.28Å; E200-D202 PolarHBondContact O-N 3.25Å; E200-S203 PolarHBondContact O-N 3.22Å; E200-S203 VanDerWaalsContact O-N 3.11Å; E200-S203 PolarHBondContact O-OG 2.74Å
201	S	72.1	Confident	75.3	Confident	12 Å²	12	85.2 Å²	85.2	8%	0.084	47%	0.474	C	S	.	.	H	α-helix	trans	-66.2	-26.6	-179.3	79.2	0	0	0	0	114.6	E197 A198 R199 S205	E197-S201 PolarHBondContact O-N 3.08Å; E197-S201 VanDerWaalsContact O-N 3.08Å; A198-S201 PolarHBondContact O-N 2.73Å; A198-S201 PolarHBondContact O-OG 2.91Å; R199-S201 VanDerWaalsContact C-N 3.31Å; R199-S201 PolarHBondContact O-N 2.96Å; S201-S205 PolarHBondContact O-OG 3.39Å
202	D	65.9	Low	73.8	Confident	106 Å²	106	88.7 Å²	88.7	57%	0.567	50%	0.497	S	S	*	.	H	α-helix	trans	-72.4	-30.5	175	-71.6	-23.8	0	0	0	111.4	A198 R199 E200	A198-D202 PolarHBondContact O-N 3.33Å; R199-D202 PolarHBondContact O-N 2.89Å; E200-D202 VanDerWaalsContact C-N 3.28Å; E200-D202 PolarHBondContact O-N 3.25Å
203	S	65.6	Low	72.1	Confident	86 Å²	86	88.8 Å²	88.8	60%	0.601	49%	0.489	S	S	*	.	H	α-helix	trans	-77.4	-22.2	-179.8	69.1	0	0	0	0	115	E200 S205	E200-S203 PolarHBondContact O-N 3.22Å; E200-S203 VanDerWaalsContact O-N 3.11Å; E200-S203 PolarHBondContact O-OG 2.74Å; S203-S205 VanDerWaalsContact C-N 3.28Å; S203-S205 PolarHBondContact O-N 2.78Å
204	E	59.5	Low	70.2	Confident	144 Å²	144	93.8 Å²	93.8	67%	0.673	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	9.1	177.8	-65	-174.4	165	0	0	113.7
205	S	52.9	Low	68.7	Low	64 Å²	64	97.6 Å²	97.6	45%	0.448	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	3.8	-173.7	-60.9	0	0	0	0	114.6	S201 S203	S201-S205 PolarHBondContact O-OG 3.39Å; S203-S205 VanDerWaalsContact C-N 3.28Å; S203-S205 PolarHBondContact O-N 2.78Å
206	D	38.9	Very low	67.8	Low	218 Å²	218	99.8 Å²	99.8	100%	1.166	53%	0.526	S	S	*	.			trans	-100.9	0	170.1	-69.2	-23	0	0	0	111.6

Retrieved 206 of 206 residues in 468.4 ms (Link to these results)

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