G4LUY8_SCHMA Loading...

Small ribosomal subunit protein uS10m

AlphaFold DB , UniProt , Accession G4LUY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 163 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	39.9	Very low	43.4	Very low	236 Å²	236	181.1 Å²	181.1	100%	1.163	86%	0.86	S	S	*	*				0	84.3	0	-172.8	-173.2	-178.3	0	0	108.1
2	L	46.5	Very low	42.6	Very low	160 Å²	160	183.4 Å²	183.4	84%	0.838	85%	0.854	S	S	*	*			trans	-174.6	108.1	168.7	-106.6	132.4	0	0	0	111
3	L	47.4	Very low	42.4	Very low	161 Å²	161	178.8 Å²	178.8	84%	0.843	85%	0.852	S	S	*	*			trans	60.7	116.4	136.8	-79.8	150.3	0	0	0	123
4	L	42	Very low	42.3	Very low	155 Å²	155	176.9 Å²	176.9	81%	0.812	84%	0.842	S	S	*	*			trans	-67.1	158.6	166.8	-76.5	115.3	0	0	0	115.2
5	R	42.8	Very low	41.9	Very low	238 Å²	238	174.5 Å²	174.5	90%	0.898	84%	0.843	S	S	*	*			trans	135.2	100.6	134.6	-76.1	-177.2	177.7	-147.2	0.1	109.8
6	R	40.3	Very low	41.6	Very low	233 Å²	233	167.8 Å²	167.8	88%	0.879	83%	0.834	S	S	*	*				64.1	86.7	60.4	-151.8	-175.5	-157.3	-151.1	6.9	112.3
7	L	44.8	Very low	41.3	Very low	158 Å²	158	164.8 Å²	164.8	83%	0.827	83%	0.833	S	S	*	*			trans	-140.7	103.2	148.8	-73.3	178.5	0	0	0	108.3
8	Y	42.4	Very low	40.8	Very low	224 Å²	224	165.2 Å²	165.2	88%	0.878	84%	0.837	S	S	*	*			trans	-117.2	117.2	169.1	-122.8	-97.5	0	0	0	104.8
9	F	43.1	Very low	40.3	Very low	186 Å²	186	165.6 Å²	165.6	82%	0.816	84%	0.835	S	S	*	*			trans	-109.8	112.9	168.4	-91.9	-84.1	0	0	0	108.2
10	P	40.4	Very low	40.2	Very low	107 Å²	107	168.8 Å²	168.8	70%	0.695	84%	0.838	S	S	*	*			trans	-97.2	120.1	160	32	-22.8	0	0	0	108.9	R12	P10-R12 PolarHBondContact O-N 3.14Å
11	V	47.5	Very low	40.2	Very low	134 Å²	134	167 Å²	167	81%	0.812	83%	0.831	S	S	*	*			trans	-75.7	118.3	167.9	-179.9	0	0	0	0	108
12	R	34.3	Very low	39.8	Very low	209 Å²	209	164.7 Å²	164.7	79%	0.789	82%	0.818	S	S	*	*			trans	-102.2	106	-179.6	-170.9	-179.7	-167.8	-179	2.2	106.8	P10	P10-R12 PolarHBondContact O-N 3.14Å
13	C	39.9	Very low	39.4	Very low	123 Å²	123	166.7 Å²	166.7	83%	0.831	82%	0.82	S	S	*	*			trans	-94	115.2	169.6	-72.8	0	0	0	0	109.2
14	H	40.8	Very low	38.7	Very low	153 Å²	153	163.4 Å²	163.4	71%	0.708	82%	0.816	S	S	*	*			trans	-70.6	135.3	178.4	-99.2	-99.8	0	0	0	111.6
15	T	35.9	Very low	38.5	Very low	140 Å²	140	164.2 Å²	164.2	86%	0.859	82%	0.82	S	S	*	*			trans	-65.3	126.3	151.8	48.6	0	0	0	0	108.7
16	G	37.3	Very low	37.9	Very low	67 Å²	67	157.5 Å²	157.5	69%	0.691	82%	0.815	S	S	*	*			trans	-171.8	103.7	179.9	0	0	0	0	0	113.9
17	S	36.5	Very low	37.6	Very low	118 Å²	118	151.5 Å²	151.5	83%	0.825	81%	0.809	S	S	*	*			trans	50.6	108.2	151.4	63.5	0	0	0	0	120.3
18	L	32.5	Very low	37.2	Very low	171 Å²	171	149.5 Å²	149.5	90%	0.895	81%	0.808	S	S	*	*			trans	-21.3	126.1	132	-88.9	142	0	0	0	113.7
19	Q	31.3	Very low	36.9	Very low	173 Å²	173	145.3 Å²	145.3	81%	0.808	81%	0.806	S	S	*	*			trans	153.1	105.4	135.7	-87.5	-175	11.6	0	0	108.6
20	Y	38.8	Very low	36.4	Very low	229 Å²	229	139.8 Å²	139.8	90%	0.898	80%	0.801	S	S	*	*			trans	-175.2	144	148.9	-84.9	-75.9	0	0	0	104.6
21	L	40.1	Very low	36.2	Very low	132 Å²	132	139.9 Å²	139.9	69%	0.691	80%	0.799	S	S	*	*			cis	-173.6	125.1	-15.7	-175.4	132.5	0	0	0	101.7	K23	L21-K23 PolarHBondContact O-N 3.31Å
22	Q	31.2	Very low	35.7	Very low	188 Å²	188	140.9 Å²	140.9	88%	0.879	79%	0.793	S	S	*	*			trans	-58.5	126.2	171.1	-86.3	162.7	-76.2	0	0	108.8
23	K	38.6	Very low	35.9	Very low	202 Å²	202	136 Å²	136	88%	0.878	78%	0.782	S	S	*	*			trans	-167	135.6	137.8	-103.2	160.2	-170.5	-167	0	111.6	L21	L21-K23 PolarHBondContact O-N 3.31Å
24	A	32	Very low	36.2	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	78%	0.778	S	S	*	*			trans	-60.8	142.3	-172.9	0	0	0	0	0	113.9
25	L	37.3	Very low	36.3	Very low	172 Å²	172	130.8 Å²	130.8	90%	0.901	78%	0.775	S	S	*	*			trans	-145.6	120.8	130.5	-83	-177.9	0	0	0	108.5
26	A	31.9	Very low	36.8	Very low	97 Å²	97	129.9 Å²	129.9	80%	0.802	76%	0.764	S	S	*	*			trans	-68.8	132	172	0	0	0	0	0	110.1
27	S	32.2	Very low	37.4	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	77%	0.766	S	S	*	*			trans	-178.1	113.7	146.4	31.1	0	0	0	0	109.8
28	S	36.7	Very low	37.9	Very low	117 Å²	117	138.7 Å²	138.7	82%	0.818	77%	0.77	S	S	*	*			trans	43.1	78.4	157.1	62.8	0	0	0	0	118	G30	S28-G30 VanDerWaalsContact C-N 3.27Å; S28-G30 PolarHBondContact O-N 3.45Å; S28-G30 VanDerWaalsContact O-N 3.14Å
29	V	35.9	Very low	38.6	Very low	136 Å²	136	141.4 Å²	141.4	82%	0.824	77%	0.769	S	S	*	*			trans	-75.1	92.8	147.2	179.1	0	0	0	0	105.9	V31	V29-V31 VanDerWaalsContact C-N 3.34Å; V29-V31 HydrophobicContact CG1-CG2 4.42Å; V29-V31 PolarHBondContact O-N 3.38Å
30	G	34	Very low	39.4	Very low	69 Å²	69	142 Å²	142	71%	0.711	77%	0.771	S	S	*	*			trans	-65.8	96.6	167	0	0	0	0	0	108.6	S28 F32	S28-G30 VanDerWaalsContact C-N 3.27Å; S28-G30 PolarHBondContact O-N 3.45Å; S28-G30 VanDerWaalsContact O-N 3.14Å; G30-F32 PolarHBondContact O-N 2.97Å; G30-F32 VanDerWaalsContact O-N 3.14Å
31	V	35.5	Very low	40.3	Very low	109 Å²	109	135.4 Å²	135.4	66%	0.661	77%	0.773	S	S	*	*			trans	-65.8	106.9	162	176.3	0	0	0	0	105.7	V29 N33	V29-V31 VanDerWaalsContact C-N 3.34Å; V29-V31 HydrophobicContact CG1-CG2 4.42Å; V29-V31 PolarHBondContact O-N 3.38Å; V31-N33 PolarHBondContact O-N 3.01Å
32	F	37.8	Very low	41.6	Very low	156 Å²	156	133.6 Å²	133.6	68%	0.684	77%	0.771	S	S	*	*			trans	-72.6	84	175.5	-154.3	-91.7	0	0	0	107.9	G30 S34	G30-F32 PolarHBondContact O-N 2.97Å; G30-F32 VanDerWaalsContact O-N 3.14Å; F32-S34 PolarHBondContact O-N 3.28Å
33	N	37.9	Very low	43.6	Very low	105 Å²	105	133 Å²	133	56%	0.561	77%	0.769	S	S	*	*			trans	-73	104.2	170.3	-94.2	-10.4	0	0	0	107.8	V31 G35	V31-N33 PolarHBondContact O-N 3.01Å; N33-G35 PolarHBondContact O-N 2.87Å
34	S	46.9	Very low	45.6	Very low	106 Å²	106	129.3 Å²	129.3	74%	0.741	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	13.9	172.9	-44.5	0	0	0	0	114	F32	F32-S34 PolarHBondContact O-N 3.28Å
35	G	43	Very low	48	Very low	62 Å²	62	134 Å²	134	64%	0.639	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-7.4	-170.3	0	0	0	0	0	116.2	N33	N33-G35 PolarHBondContact O-N 2.87Å
36	D	45.7	Very low	50.4	Low	120 Å²	120	133 Å²	133	64%	0.642	75%	0.754	S	S	*	*	S	Bend	trans	-100.2	-3.8	-170.9	-69.4	-38.3	0	0	0	115	M38	D36-M38 VanDerWaalsContact C-N 3.29Å; D36-M38 PolarHBondContact O-N 3.25Å
37	Y	50.3	Low	53.2	Low	187 Å²	187	134.3 Å²	134.3	73%	0.733	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	24.4	-178.4	-64.1	-76.4	0	0	0	115.4
38	M	46.1	Very low	56.1	Low	184 Å²	184	132.9 Å²	132.9	91%	0.906	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	19.8	-178.6	-76.7	-96.8	-175	0	0	113.9	D36	D36-M38 VanDerWaalsContact C-N 3.29Å; D36-M38 PolarHBondContact O-N 3.25Å
39	R	47.4	Very low	58.9	Low	228 Å²	228	128.9 Å²	128.9	86%	0.86	71%	0.709	S	S	*	*	S	Bend	trans	-128.9	116.9	175.8	-61.9	-179.3	105.1	145.8	2.6	109.8
40	E	48.8	Very low	61.8	Low	185 Å²	185	126.6 Å²	126.6	86%	0.864	69%	0.691	S	S	*	*			trans	40.6	113.1	169.5	-80.3	170.9	150.5	0	0	117.3	S42	E40-S42 PolarHBondContact O-N 2.93Å
41	G	57.8	Low	64.8	Low	90 Å²	90	124.7 Å²	124.7	93%	0.928	66%	0.663	S	S	*	*			trans	-67	68.4	179.4	0	0	0	0	0	114.5	E43	G41-E43 PolarHBondContact O-N 2.67Å
42	S	66.9	Low	67.7	Low	95 Å²	95	125.3 Å²	125.3	66%	0.664	66%	0.657	S	S	*	*			trans	-76.1	113.2	163.3	58.2	0	0	0	0	108.7	E40 I44	E40-S42 PolarHBondContact O-N 2.93Å; S42-I44 PolarHBondContact O-N 3.34Å; S42-I44 VanDerWaalsContact O-N 3.14Å
43	E	73.9	Confident	70.5	Confident	175 Å²	175	121.7 Å²	121.7	82%	0.818	64%	0.641	S	S	*	*			trans	-60.5	114.9	168.2	-64.5	-175.5	170.5	0	0	108.6	G41 H45	G41-E43 PolarHBondContact O-N 2.67Å; E43-H45 PolarHBondContact O-N 2.88Å
44	I	79.9	Confident	73.3	Confident	124 Å²	124	116.7 Å²	116.7	64%	0.636	61%	0.614	S	S	*	*			trans	-74.1	123.4	176.3	-54.7	174.7	0	0	0	107	S42 E46	S42-I44 PolarHBondContact O-N 3.34Å; S42-I44 VanDerWaalsContact O-N 3.14Å; I44-E46 HydrophobicContact CG2-CB 3.88Å; I44-E46 HydrophobicContact CG2-CG 3.69Å; I44-E46 PolarHBondContact O-N 3.04Å
45	H	82.1	Confident	75.8	Confident	191 Å²	191	113 Å²	113	88%	0.884	59%	0.587	S	S	*	*			trans	-70.9	20.7	178.4	-75.6	-72	0	0	0	114.3	E43	E43-H45 PolarHBondContact O-N 2.88Å
46	E	88.2	Confident	78.4	Confident	152 Å²	152	110.2 Å²	110.2	71%	0.71	56%	0.557	S	S	*	*	S	Bend	trans	-83.9	141.5	176.1	-73.7	179.5	-175.8	0	0	110.4	I44 D48	I44-E46 HydrophobicContact CG2-CB 3.88Å; I44-E46 HydrophobicContact CG2-CG 3.69Å; I44-E46 PolarHBondContact O-N 3.04Å; E46-D48 PolarHBondContact O-N 2.69Å
47	P	91.2	Very high	80.9	Confident	123 Å²	123	105.3 Å²	105.3	80%	0.799	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-66	131.6	177.9	27.8	-33.8	0	0	0	110.4
48	D	93.1	Very high	83.1	Confident	76 Å²	76	96.4 Å²	96.4	41%	0.406	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-64.6	150	178	-167.4	14.1	0	0	0	111.7	E46 T128 G129 C130	E46-D48 PolarHBondContact O-N 2.69Å; D48-T128 WeakPolarHBondContact OD2-CB 3.5Å; D48-G129 WeakPolarHBondContact OD1-CA 3.49Å; D48-G129 PolarHBondContact OD1-N 3.13Å; D48-G129 PolarHBondContact OD2-N 2.93Å; D48-C130 PolarHBondContact OD1-N 2.79Å; D48-C130 PolarHBondContact OD2-N 2.75Å; D48-C130 PolarHBondContact OD2-SG 2.85Å
49	V	94.3	Very high	85.6	Confident	34 Å²	34	90.7 Å²	90.7	21%	0.206	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-73.5	135.3	174.9	-179.8	0	0	0	0	108.9	Y51 T128 G129 R155	V49-Y51 HydrophobicContact CG1-CE1 3.96Å; V49-Y51 HydrophobicContact CG1-CE2 4.3Å; V49-T128 CarbonylContact O-C 3.5Å; V49-G129 WeakPolarHBondContact O-CA 3.36Å; V49-G129 PolarHBondContact O-N 3.35Å; V49-R155 HydrophobicContact CG1-CG 3.7Å
50	L	96.7	Very high	88	Confident	87 Å²	87	80 Å²	80	46%	0.455	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.1	174.1	-61.1	179.3	0	0	0	110.1	T128 L156	L50-T128 HydrophobicContact CD2-CG2 3.92Å; L50-L156 HydrophobicContact CB-CB 4.15Å; L50-L156 HydrophobicContact CB-CD1 4.08Å; L50-L156 PolarHBondContact O-N 3.29Å
51	Y	97.3	Very high	90.3	Very high	29 Å²	29	76.1 Å²	76.1	11%	0.114	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.8	173.2	-64	-63.6	0	0	0	110.1	V49 K53 I127 A132 K153 H154 R155	V49-Y51 HydrophobicContact CG1-CE1 3.96Å; V49-Y51 HydrophobicContact CG1-CE2 4.3Å; Y51-K53 VanDerWaalsContact C-N 3.32Å; Y51-I127 HydrophobicContact CD2-CG2 4.24Å; Y51-I127 HydrophobicContact CG-CG2 4.47Å; Y51-I127 PolarHBondContact N-O 2.81Å; Y51-I127 PolarHBondContact O-N 3.08Å; Y51-I127 VanDerWaalsContact O-N 3.11Å; Y51-A132 HydrophobicContact CD2-CB 3.86Å; Y51-A132 HydrophobicContact CE2-CB 3.97Å; Y51-K153 HydrophobicContact CD1-CB 4Å; Y51-K153 HydrophobicContact CE1-CB 3.7Å; Y51-K153 HydrophobicContact CE1-CD 4.08Å; Y51-K153 HydrophobicContact CE1-CG 4.45Å; Y51-K153 HydrophobicContact CE2-CD 4.27Å; Y51-K153 WeakPolarHBondContact OH-CD 3.45Å; Y51-H154 CarbonylContact C-O 3.54Å; Y51-H154 VanDerWaalsContact CA-O 3.31Å; Y51-H154 WeakPolarHBondContact CA-O 3.47Å; Y51-R155 HydrophobicContact CD1-CB 4.14Å; Y51-R155 HydrophobicContact CE1-CB 4.04Å; Y51-R155 HydrophobicContact CE1-CG 4.45Å
52	K	96.7	Very high	92.1	Very high	123 Å²	123	77.8 Å²	77.8	54%	0.535	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	-47.1	175.2	-174.9	172.3	179.5	172.1	0	110.5	H126 H154 L156	K52-H126 PolarHBondContact O-N 3.43Å; K52-H126 PolarHBondContact O-ND1 3.25Å; K52-H126 VanDerWaalsContact O-ND1 3.13Å; K52-H154 PolarHBondContact N-O 3.01Å; K52-L156 HydrophobicContact CB-CD1 4.27Å; K52-L156 HydrophobicContact CB-CD2 3.71Å; K52-L156 HydrophobicContact CB-CG 3.83Å; K52-L156 HydrophobicContact CD-CD2 4.22Å; K52-L156 HydrophobicContact CG-CD2 4.23Å
53	K	96.6	Very high	93.5	Very high	80 Å²	80	75.7 Å²	75.7	35%	0.348	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	146.8	179.2	65.5	-179.9	-171.6	175.1	0	109.9	Y51 V55 V124 H154	Y51-K53 VanDerWaalsContact C-N 3.32Å; K53-V55 HydrophobicContact CD-CG2 4.25Å; K53-V55 HydrophobicContact CG-CG2 4.4Å; K53-V124 CarbonylContact C-O 3.56Å; K53-V124 VanDerWaalsContact CA-O 3.31Å; K53-V124 WeakPolarHBondContact CA-O 3.38Å; K53-H154 WeakPolarHBondContact CE-CD2 3.36Å; K53-H154 WeakPolarHBondContact CE-NE2 3.44Å; K53-H154 HydrophobicContact CG-CB 3.76Å; K53-H154 VanDerWaalsContact CG-CD2 3.44Å; K53-H154 WeakPolarHBondContact CG-CD2 3.46Å; K53-H154 WeakPolarHBondContact O-CB 3.42Å; K53-H154 PolarHBondContact O-N 3.26Å
54	L	97.4	Very high	94.6	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.4	173.6	-169.3	172.6	0	0	0	106.7	I56 T123 V124 I127 A132 L136 V151	L54-I56 HydrophobicContact CD2-CD1 3.63Å; L54-I56 HydrophobicContact CD2-CG1 3.17Å; L54-T123 WeakPolarHBondContact O-CA 3.49Å; L54-V124 HydrophobicContact CB-CB 4.37Å; L54-V124 PolarHBondContact N-O 3.37Å; L54-V124 PolarHBondContact O-N 3.06Å; L54-I127 HydrophobicContact CB-CG2 4.21Å; L54-I127 HydrophobicContact CD1-CG2 4.32Å; L54-A132 HydrophobicContact CD1-CB 3.96Å; L54-L136 HydrophobicContact CD1-CD1 4.13Å; L54-L136 HydrophobicContact CD1-CD2 4.39Å; L54-L136 HydrophobicContact CD1-CG 4.21Å; L54-L136 HydrophobicContact CD2-CD2 4.31Å; L54-V151 HydrophobicContact CD2-CG1 3.99Å; L54-V151 HydrophobicContact CG-CG1 4.48Å
55	V	97.7	Very high	95.5	Very high	29 Å²	29	70.4 Å²	70.4	18%	0.176	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.9	-178.4	-178.6	0	0	0	0	108.7	K53 T123 S152	K53-V55 HydrophobicContact CD-CG2 4.25Å; K53-V55 HydrophobicContact CG-CG2 4.4Å; V55-T123 HydrophobicContact CG2-CG2 4.42Å; V55-S152 PolarHBondContact N-O 3.46Å; V55-S152 PolarHBondContact O-N 3.48Å
56	I	98	Very high	96.2	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.3	177.7	-49	176.9	0	0	0	108.1	L54 V58 Y121 F122 F135 L136 M149 E150 V151	L54-I56 HydrophobicContact CD2-CD1 3.63Å; L54-I56 HydrophobicContact CD2-CG1 3.17Å; I56-V58 HydrophobicContact CG2-CG2 3.94Å; I56-Y121 WeakPolarHBondContact O-CA 3.19Å; I56-F122 HydrophobicContact CB-CB 4.15Å; I56-F122 HydrophobicContact CB-CD2 4.45Å; I56-F122 PolarHBondContact N-O 3.43Å; I56-F122 PolarHBondContact O-N 2.81Å; I56-F135 HydrophobicContact CD1-CE1 3.9Å; I56-L136 HydrophobicContact CD1-CD2 3.93Å; I56-L136 HydrophobicContact CG1-CD2 4.49Å; I56-M149 HydrophobicContact CG2-CG 3.53Å; I56-M149 HydrophobicContact CG2-SD 3.46Å; I56-M149 WeakPolarHBondContact CG2-SD 3.4Å; I56-E150 WeakPolarHBondContact CA-O 3.2Å; I56-V151 HydrophobicContact CG2-CG2 4.42Å
57	T	98.1	Very high	96.6	Very high	17 Å²	17	60.7 Å²	60.7	10%	0.104	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.3	173.1	-59.2	0	0	0	0	109	K59 Y119 Y121 E150	T57-K59 HydrophobicContact CG2-CG 4.16Å; T57-Y119 HydrophobicContact CG2-CD1 4.08Å; T57-Y121 HydrophobicContact CG2-CD1 3.92Å; T57-Y121 HydrophobicContact CG2-CE1 3.63Å; T57-Y121 WeakPolarHBondContact OG1-CD1 3.46Å; T57-E150 PolarHBondContact N-O 3.11Å; T57-E150 PolarHBondContact O-N 3.05Å
58	V	98	Very high	96.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.9	178.2	-175.1	0	0	0	0	108.8	I56 L66 Y69 Y119 Q120 F122 V147 A148 M149	I56-V58 HydrophobicContact CG2-CG2 3.94Å; V58-L66 HydrophobicContact CB-CD2 4.49Å; V58-L66 HydrophobicContact CG1-CD2 3.63Å; V58-Y69 HydrophobicContact CG1-CD1 4.21Å; V58-Y69 HydrophobicContact CG1-CE1 4.3Å; V58-Y69 HydrophobicContact CG2-CD1 4.44Å; V58-Y69 HydrophobicContact CG2-CE1 4.05Å; V58-Y119 WeakPolarHBondContact O-CA 3.46Å; V58-Q120 HydrophobicContact CB-CB 4.43Å; V58-Q120 PolarHBondContact N-O 3.27Å; V58-Q120 PolarHBondContact O-N 3.27Å; V58-F122 HydrophobicContact CB-CE2 4.24Å; V58-F122 HydrophobicContact CG2-CD2 3.92Å; V58-F122 HydrophobicContact CG2-CE2 3.65Å; V58-V147 HydrophobicContact CG1-CG1 3.14Å; V58-A148 WeakPolarHBondContact CA-O 3.34Å; V58-M149 HydrophobicContact CG2-CG 4.19Å; V58-M149 HydrophobicContact CG2-SD 4.36Å
59	K	97.7	Very high	97.1	Very high	64 Å²	64	55.6 Å²	55.6	28%	0.278	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.9	-174.3	-54.9	177	-169.7	165.4	0	108.8	T57 T117 H118 Y119 V147 A148 E150	T57-K59 HydrophobicContact CG2-CG 4.16Å; K59-T117 HydrophobicContact CB-CG2 4.07Å; K59-H118 WeakPolarHBondContact CA-O 3.02Å; K59-Y119 HydrophobicContact CD-CD1 4.26Å; K59-Y119 HydrophobicContact CD-CE1 3.75Å; K59-Y119 HydrophobicContact CG-CD1 3.74Å; K59-Y119 HydrophobicContact CG-CE1 3.71Å; K59-V147 CarbonylContact O-C 3.57Å; K59-V147 WeakPolarHBondContact O-CA 3.43Å; K59-V147 WeakPolarHBondContact O-CG1 3.27Å; K59-A148 HydrophobicContact CB-CB 4.49Å; K59-A148 PolarHBondContact N-O 3.16Å; K59-A148 PolarHBondContact O-N 3.38Å; K59-E150 WeakPolarHBondContact CE-OE2 3.23Å; K59-E150 IonicContact NZ-OE2 2.68Å; K59-E150 PolarHBondContact NZ-OE2 3.37Å
60	G	97.3	Very high	97.3	Very high	4 Å²	4	55.2 Å²	55.2	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	163.9	179.6	0	0	0	0	0	112.8	H118	G60-H118 PolarHBondContact N-O 3.36Å; G60-H118 VanDerWaalsContact N-O 3.08Å; G60-H118 PolarHBondContact O-N 3.43Å
61	H	97.1	Very high	97.4	Very high	103 Å²	103	54.5 Å²	54.5	48%	0.477	28%	0.275	S	S	.	.	S	Bend	trans	-85.6	-35.1	177.5	-67.4	-58.7	0	0	0	112.9	R116 H118	H61-R116 PolarHBondContact ND1-O 3.45Å; H61-H118 PolarHBondContact O-CD2 3.44Å; H61-H118 VanDerWaalsContact O-CD2 3.25Å
62	E	96.4	Very high	97.4	Very high	124 Å²	124	55.2 Å²	55.2	58%	0.579	28%	0.279	S	S	*	.			trans	-98.2	116.8	-178.1	-71	-59.6	145.2	0	0	111.3	M64 V65 L66	E62-M64 VanDerWaalsContact C-N 3.31Å; E62-M64 PolarHBondContact O-N 3.17Å; E62-V65 HydrophobicContact CB-CB 4.16Å; E62-V65 HydrophobicContact CB-CG2 3.7Å; E62-V65 PolarHBondContact O-N 2.97Å; E62-L66 PolarHBondContact O-N 2.96Å
63	P	96.1	Very high	97.4	Very high	51 Å²	51	49.4 Å²	49.4	33%	0.331	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-30.6	-177.4	26	-33.7	0	0	0	112.9	L66 K67	P63-L66 PolarHBondContact O-N 3.43Å; P63-K67 PolarHBondContact O-N 3.41Å
64	M	97	Very high	97.5	Very high	134 Å²	134	49.1 Å²	49.1	66%	0.66	25%	0.253	S	S	*	.	H	α-helix	trans	-70.5	-33.2	-180	-66.9	-59	146.6	0	0	112.3	E62 K67 S68	E62-M64 VanDerWaalsContact C-N 3.31Å; E62-M64 PolarHBondContact O-N 3.17Å; M64-K67 PolarHBondContact O-N 3.22Å; M64-S68 PolarHBondContact O-N 3.42Å
65	V	97.5	Very high	97.5	Very high	55 Å²	55	54.4 Å²	54.4	33%	0.333	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-45	173.1	177.9	0	0	0	0	110	E62 K67 S68 Y69 P144 V147	E62-V65 HydrophobicContact CB-CB 4.16Å; E62-V65 HydrophobicContact CB-CG2 3.7Å; E62-V65 PolarHBondContact O-N 2.97Å; V65-K67 PolarHBondContact O-N 3.18Å; V65-S68 PolarHBondContact O-N 2.87Å; V65-Y69 WeakPolarHBondContact O-CB 3.47Å; V65-Y69 PolarHBondContact O-N 3.19Å; V65-P144 HydrophobicContact CG1-CB 3.83Å; V65-P144 HydrophobicContact CG1-CG 4.05Å; V65-V147 HydrophobicContact CG1-CG2 3.94Å
66	L	97.4	Very high	97.5	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-39.3	177	-64.8	-179.7	0	0	0	112.7	V58 E62 P63 Y69 E70 H118 V147	V58-L66 HydrophobicContact CB-CD2 4.49Å; V58-L66 HydrophobicContact CG1-CD2 3.63Å; E62-L66 PolarHBondContact O-N 2.96Å; P63-L66 PolarHBondContact O-N 3.43Å; L66-Y69 PolarHBondContact O-N 3.24Å; L66-E70 WeakPolarHBondContact O-CB 3.12Å; L66-E70 PolarHBondContact O-N 3.36Å; L66-H118 HydrophobicContact CD1-CB 3.46Å; L66-H118 VanDerWaalsContact CD1-CB 3.46Å; L66-V147 HydrophobicContact CD2-CG1 4.02Å; L66-V147 HydrophobicContact CD2-CG2 4.37Å
67	K	97.1	Very high	97.4	Very high	133 Å²	133	53.6 Å²	53.6	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-66.3	-40.6	176.6	-173.4	178.7	-179.8	-178.6	0	112.5	P63 M64 V65 Y69 E70 T71	P63-K67 PolarHBondContact O-N 3.41Å; M64-K67 PolarHBondContact O-N 3.22Å; V65-K67 PolarHBondContact O-N 3.18Å; K67-Y69 VanDerWaalsContact C-N 3.33Å; K67-E70 PolarHBondContact O-N 3.36Å; K67-T71 PolarHBondContact O-N 2.64Å; K67-T71 PolarHBondContact O-OG1 2.95Å; K67-T71 VanDerWaalsContact O-OG1 3.11Å
68	S	97.7	Very high	97.4	Very high	83 Å²	83	58.5 Å²	58.5	58%	0.58	30%	0.298	S	S	*	.	H	α-helix	trans	-62.5	-44.3	173.2	-170.9	0	0	0	0	110.7	M64 V65 E70 T71 F72	M64-S68 PolarHBondContact O-N 3.42Å; V65-S68 PolarHBondContact O-N 2.87Å; S68-E70 PolarHBondContact O-N 3.15Å; S68-T71 WeakPolarHBondContact O-CB 3.39Å; S68-T71 PolarHBondContact O-N 3.13Å; S68-F72 PolarHBondContact O-N 3.4Å; S68-F72 VanDerWaalsContact O-N 3.08Å
69	Y	97.9	Very high	97.3	Very high	8 Å²	8	65 Å²	65	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-37.8	178.5	-167.7	-109.9	0	0	0	112.7	V58 V65 L66 K67 T71 F72 V73 F122 I139 L143 P144	V58-Y69 HydrophobicContact CG1-CD1 4.21Å; V58-Y69 HydrophobicContact CG1-CE1 4.3Å; V58-Y69 HydrophobicContact CG2-CD1 4.44Å; V58-Y69 HydrophobicContact CG2-CE1 4.05Å; V65-Y69 WeakPolarHBondContact O-CB 3.47Å; V65-Y69 PolarHBondContact O-N 3.19Å; L66-Y69 PolarHBondContact O-N 3.24Å; K67-Y69 VanDerWaalsContact C-N 3.33Å; Y69-T71 VanDerWaalsContact C-N 3.3Å; Y69-T71 PolarHBondContact O-N 2.86Å; Y69-F72 AromaticContact CD2-CD1 3.94Å; Y69-F72 HydrophobicContact CD2-CD1 3.94Å; Y69-F72 AromaticContact CE2-CD1 3.79Å; Y69-F72 HydrophobicContact CE2-CD1 3.79Å; Y69-F72 HydrophobicContact CE2-CE1 4.04Å; Y69-F72 WeakPolarHBondContact O-CB 3.49Å; Y69-F72 PolarHBondContact O-N 2.81Å; Y69-V73 HydrophobicContact CD1-CG2 4.04Å; Y69-V73 HydrophobicContact CE1-CG2 3.77Å; Y69-V73 WeakPolarHBondContact O-CG2 3.21Å; Y69-V73 PolarHBondContact O-N 2.82Å; Y69-F122 HydrophobicContact CD1-CE2 4.41Å; Y69-F122 HydrophobicContact CD1-CZ 4.5Å; Y69-I139 WeakPolarHBondContact OH-CG2 3.2Å; Y69-I139 PolarHBondContact OH-O 3Å; Y69-I139 VanDerWaalsContact OH-O 3.12Å; Y69-L143 HydrophobicContact CE1-CD1 4.18Å; Y69-L143 HydrophobicContact CE2-CD1 4.39Å; Y69-L143 WeakPolarHBondContact OH-CD1 3.36Å; Y69-P144 HydrophobicContact CD2-CG 3.83Å; Y69-P144 HydrophobicContact CE2-CG 4.34Å; Y69-P144 HydrophobicContact CG-CG 4.44Å
70	E	97.7	Very high	97.2	Very high	27 Å²	27	65.8 Å²	65.8	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-57.8	-42.6	171.9	-178.3	-168.5	169.3	0	0	112.1	L66 K67 S68 V73 K74 S86 Q120 F122	L66-E70 WeakPolarHBondContact O-CB 3.12Å; L66-E70 PolarHBondContact O-N 3.36Å; K67-E70 PolarHBondContact O-N 3.36Å; S68-E70 PolarHBondContact O-N 3.15Å; E70-V73 PolarHBondContact O-N 3.22Å; E70-K74 HydrophobicContact CG-CD 4.29Å; E70-K74 WeakPolarHBondContact O-CB 3.31Å; E70-K74 WeakPolarHBondContact O-CG 3.47Å; E70-K74 PolarHBondContact O-N 2.84Å; E70-K74 WeakPolarHBondContact OE1-CE 3.31Å; E70-K74 IonicContact OE1-NZ 2.67Å; E70-K74 PolarHBondContact OE1-NZ 3.45Å; E70-S86 PolarHBondContact OE1-OG 3.11Å; E70-Q120 VanDerWaalsContact CD-NE2 3.3Å; E70-Q120 PolarHBondContact OE2-NE2 2.71Å; E70-F122 HydrophobicContact CB-CE1 4.09Å; E70-F122 HydrophobicContact CB-CZ 4.02Å; E70-F122 HydrophobicContact CG-CE1 3.84Å; E70-F122 HydrophobicContact CG-CZ 4.25Å
71	T	97.7	Very high	97	Very high	71 Å²	71	71 Å²	71	44%	0.436	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-42.2	177.5	-53.1	0	0	0	0	111	K67 S68 Y69 K74 Q75	K67-T71 PolarHBondContact O-N 2.64Å; K67-T71 PolarHBondContact O-OG1 2.95Å; K67-T71 VanDerWaalsContact O-OG1 3.11Å; S68-T71 WeakPolarHBondContact O-CB 3.39Å; S68-T71 PolarHBondContact O-N 3.13Å; Y69-T71 VanDerWaalsContact C-N 3.3Å; Y69-T71 PolarHBondContact O-N 2.86Å; T71-K74 PolarHBondContact O-N 2.84Å; T71-Q75 WeakPolarHBondContact O-CG 3.44Å; T71-Q75 PolarHBondContact O-N 2.72Å
72	F	98.1	Very high	97	Very high	44 Å²	44	67.2 Å²	67.2	19%	0.193	36%	0.358	C	S	.	.	H	α-helix	trans	-60	-50.3	174.2	164.7	-105.9	0	0	0	112	S68 Y69 K74 Q75 V76 Y138 N142	S68-F72 PolarHBondContact O-N 3.4Å; S68-F72 VanDerWaalsContact O-N 3.08Å; Y69-F72 AromaticContact CD2-CD1 3.94Å; Y69-F72 HydrophobicContact CD2-CD1 3.94Å; Y69-F72 AromaticContact CE2-CD1 3.79Å; Y69-F72 HydrophobicContact CE2-CD1 3.79Å; Y69-F72 HydrophobicContact CE2-CE1 4.04Å; Y69-F72 WeakPolarHBondContact O-CB 3.49Å; Y69-F72 PolarHBondContact O-N 2.81Å; F72-K74 VanDerWaalsContact C-N 3.3Å; F72-K74 PolarHBondContact O-N 3.37Å; F72-Q75 WeakPolarHBondContact O-CB 3.23Å; F72-Q75 PolarHBondContact O-N 3.48Å; F72-Q75 VanDerWaalsContact O-N 3.16Å; F72-V76 HydrophobicContact CD2-CG2 4.27Å; F72-V76 HydrophobicContact CE1-CG2 4.36Å; F72-V76 HydrophobicContact CE2-CG2 3.84Å; F72-V76 HydrophobicContact CZ-CG2 3.89Å; F72-V76 WeakPolarHBondContact O-CG2 3.42Å; F72-V76 PolarHBondContact O-N 2.9Å; F72-Y138 AromaticContact CE2-CE1 3.76Å; F72-Y138 HydrophobicContact CE2-CE1 3.76Å; F72-Y138 HydrophobicContact CZ-CD1 4.02Å; F72-Y138 AromaticContact CZ-CE1 3.54Å; F72-Y138 HydrophobicContact CZ-CE1 3.54Å; F72-N142 HydrophobicContact CE1-CB 3.86Å; F72-N142 HydrophobicContact CZ-CB 3.64Å
73	V	97.8	Very high	96.9	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-38.7	-179.9	176.1	0	0	0	0	111.2	Y69 E70 V76 C77 L84 F122 F135 I139	Y69-V73 HydrophobicContact CD1-CG2 4.04Å; Y69-V73 HydrophobicContact CE1-CG2 3.77Å; Y69-V73 WeakPolarHBondContact O-CG2 3.21Å; Y69-V73 PolarHBondContact O-N 2.82Å; E70-V73 PolarHBondContact O-N 3.22Å; V73-V76 PolarHBondContact O-N 3.42Å; V73-C77 PolarHBondContact O-N 2.91Å; V73-C77 PolarHBondContact O-SG 2.78Å; V73-C77 VanDerWaalsContact O-SG 3.36Å; V73-L84 HydrophobicContact CG1-CD1 4.31Å; V73-L84 HydrophobicContact CG1-CD2 3.81Å; V73-F122 HydrophobicContact CB-CE1 4.07Å; V73-F122 HydrophobicContact CB-CZ 4.35Å; V73-F122 HydrophobicContact CG1-CD1 4.04Å; V73-F122 HydrophobicContact CG1-CE1 4.11Å; V73-F122 HydrophobicContact CG1-CG 4.45Å; V73-F122 HydrophobicContact CG2-CZ 4.33Å; V73-F135 HydrophobicContact CG1-CZ 4.43Å; V73-I139 HydrophobicContact CG1-CD1 3.95Å; V73-I139 HydrophobicContact CG2-CD1 4.19Å
74	K	97.6	Very high	96.9	Very high	75 Å²	75	64.2 Å²	64.2	33%	0.326	35%	0.354	S	S	.	.	H	α-helix	trans	-57.7	-49.6	172.7	-79.6	171.8	171	170	0	111.8	E70 T71 F72 V76 C77 D78 L84 S86	E70-K74 HydrophobicContact CG-CD 4.29Å; E70-K74 WeakPolarHBondContact O-CB 3.31Å; E70-K74 WeakPolarHBondContact O-CG 3.47Å; E70-K74 PolarHBondContact O-N 2.84Å; E70-K74 WeakPolarHBondContact OE1-CE 3.31Å; E70-K74 IonicContact OE1-NZ 2.67Å; E70-K74 PolarHBondContact OE1-NZ 3.45Å; T71-K74 PolarHBondContact O-N 2.84Å; F72-K74 VanDerWaalsContact C-N 3.3Å; F72-K74 PolarHBondContact O-N 3.37Å; K74-V76 VanDerWaalsContact C-N 3.31Å; K74-V76 PolarHBondContact O-N 3.37Å; K74-C77 PolarHBondContact O-N 3.33Å; K74-D78 PolarHBondContact O-N 3.48Å; K74-L84 HydrophobicContact CB-CD2 4.45Å; K74-L84 HydrophobicContact CG-CD2 3.74Å; K74-S86 WeakPolarHBondContact CE-OG 3.19Å; K74-S86 PolarHBondContact NZ-OG 3.14Å
75	Q	97.8	Very high	96.9	Very high	110 Å²	110	63.4 Å²	63.4	51%	0.514	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-40.4	177.1	-71.2	173.8	-17.9	0	0	112.4	T71 F72 D78 N79	T71-Q75 WeakPolarHBondContact O-CG 3.44Å; T71-Q75 PolarHBondContact O-N 2.72Å; F72-Q75 WeakPolarHBondContact O-CB 3.23Å; F72-Q75 PolarHBondContact O-N 3.48Å; F72-Q75 VanDerWaalsContact O-N 3.16Å; Q75-D78 PolarHBondContact O-N 3.11Å; Q75-N79 PolarHBondContact O-N 3.08Å; Q75-N79 VanDerWaalsContact O-N 3.14Å; Q75-N79 PolarHBondContact O-ND2 2.9Å
76	V	97.6	Very high	96.9	Very high	14 Å²	14	62.4 Å²	62.4	9%	0.085	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-46.5	176.4	175.3	0	0	0	0	111	F72 V73 K74 D78 N79 L80 F135 Y138	F72-V76 HydrophobicContact CD2-CG2 4.27Å; F72-V76 HydrophobicContact CE1-CG2 4.36Å; F72-V76 HydrophobicContact CE2-CG2 3.84Å; F72-V76 HydrophobicContact CZ-CG2 3.89Å; F72-V76 WeakPolarHBondContact O-CG2 3.42Å; F72-V76 PolarHBondContact O-N 2.9Å; V73-V76 PolarHBondContact O-N 3.42Å; K74-V76 VanDerWaalsContact C-N 3.31Å; K74-V76 PolarHBondContact O-N 3.37Å; V76-D78 VanDerWaalsContact C-N 3.35Å; V76-D78 PolarHBondContact O-N 2.98Å; V76-N79 PolarHBondContact O-N 3.32Å; V76-L80 HydrophobicContact CG1-CD1 3.89Å; V76-L80 WeakPolarHBondContact O-CG 3.44Å; V76-L80 PolarHBondContact O-N 3.23Å; V76-F135 HydrophobicContact CG1-CD2 4.12Å; V76-F135 HydrophobicContact CG1-CE2 4.09Å; V76-Y138 HydrophobicContact CG1-CD1 3.95Å; V76-Y138 HydrophobicContact CG1-CE1 4.41Å; V76-Y138 HydrophobicContact CG2-CD1 3.74Å; V76-Y138 HydrophobicContact CG2-CE1 3.47Å; V76-Y138 VanDerWaalsContact CG2-CE1 3.47Å
77	C	96.6	Very high	96.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63	-40	177.9	-71.6	0	0	0	0	112.5	V73 K74 N79 L80 S81 I82 L84 F135	V73-C77 PolarHBondContact O-N 2.91Å; V73-C77 PolarHBondContact O-SG 2.78Å; V73-C77 VanDerWaalsContact O-SG 3.36Å; K74-C77 PolarHBondContact O-N 3.33Å; C77-N79 VanDerWaalsContact C-N 3.33Å; C77-N79 PolarHBondContact O-N 3.45Å; C77-L80 CarbonylContact O-C 3.53Å; C77-L80 PolarHBondContact O-N 3.13Å; C77-S81 PolarHBondContact O-N 2.86Å; C77-I82 HydrophobicContact CB-CB 4.41Å; C77-I82 PolarHBondContact O-N 2.92Å; C77-L84 HydrophobicContact CB-CB 3.92Å; C77-L84 HydrophobicContact CB-CD2 4.27Å; C77-F135 WeakPolarHBondContact SG-CE2 3.46Å; C77-F135 VanDerWaalsContact SG-CZ 3.58Å
78	D	96.6	Very high	96.8	Very high	121 Å²	121	65.4 Å²	65.4	65%	0.647	36%	0.364	S	S	*	.	H	α-helix	trans	-60.9	-42.2	176.8	-66.5	-22.3	0	0	0	111.2	K74 Q75 V76 S81	K74-D78 PolarHBondContact O-N 3.48Å; Q75-D78 PolarHBondContact O-N 3.11Å; V76-D78 VanDerWaalsContact C-N 3.35Å; V76-D78 PolarHBondContact O-N 2.98Å; D78-S81 PolarHBondContact O-N 3.41Å
79	N	96.7	Very high	96.7	Very high	137 Å²	137	65.9 Å²	65.9	73%	0.733	35%	0.353	S	S	*	.	H	α-helix	trans	-70.7	-34.4	177.4	-73.1	-62	0	0	0	113.2	Q75 V76 C77 S81	Q75-N79 PolarHBondContact O-N 3.08Å; Q75-N79 VanDerWaalsContact O-N 3.14Å; Q75-N79 PolarHBondContact O-ND2 2.9Å; V76-N79 PolarHBondContact O-N 3.32Å; C77-N79 VanDerWaalsContact C-N 3.33Å; C77-N79 PolarHBondContact O-N 3.45Å; N79-S81 VanDerWaalsContact C-N 3.28Å
80	L	94.9	Very high	96.3	Very high	80 Å²	80	73.8 Å²	73.8	42%	0.419	40%	0.396	S	S	.	.	H	α-helix	trans	-84.4	-0.6	177.2	-66.5	175.6	0	0	0	113.2	V76 C77 I82 F135	V76-L80 HydrophobicContact CG1-CD1 3.89Å; V76-L80 WeakPolarHBondContact O-CG 3.44Å; V76-L80 PolarHBondContact O-N 3.23Å; C77-L80 CarbonylContact O-C 3.53Å; C77-L80 PolarHBondContact O-N 3.13Å; L80-I82 HydrophobicContact CB-CD1 3.65Å; L80-I82 HydrophobicContact CB-CG1 3.8Å; L80-I82 HydrophobicContact CD1-CD1 3.9Å; L80-I82 HydrophobicContact CG-CD1 4.44Å; L80-I82 PolarHBondContact O-N 3.45Å; L80-F135 HydrophobicContact CD1-CB 4.46Å; L80-F135 HydrophobicContact CD1-CD2 3.85Å
81	S	94.7	Very high	96.2	Very high	114 Å²	114	79 Å²	79	80%	0.797	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	37.3	-174.3	-56.4	0	0	0	0	113.3	C77 D78 N79	C77-S81 PolarHBondContact O-N 2.86Å; D78-S81 PolarHBondContact O-N 3.41Å; N79-S81 VanDerWaalsContact C-N 3.28Å
82	I	95.2	Very high	96.2	Very high	23 Å²	23	76.5 Å²	76.5	12%	0.118	40%	0.399	C	S	.	.			trans	-100.4	129.5	179.7	-62.5	172.8	0	0	0	109.3	C77 L80 L84 V124 I127 T131 F135	C77-I82 HydrophobicContact CB-CB 4.41Å; C77-I82 PolarHBondContact O-N 2.92Å; L80-I82 HydrophobicContact CB-CD1 3.65Å; L80-I82 HydrophobicContact CB-CG1 3.8Å; L80-I82 HydrophobicContact CD1-CD1 3.9Å; L80-I82 HydrophobicContact CG-CD1 4.44Å; L80-I82 PolarHBondContact O-N 3.45Å; I82-L84 PolarHBondContact O-N 3.14Å; I82-V124 HydrophobicContact CG2-CB 4.31Å; I82-V124 HydrophobicContact CG2-CG1 3.3Å; I82-V124 HydrophobicContact CG2-CG2 4.06Å; I82-I127 HydrophobicContact CD1-CD1 4.15Å; I82-T131 HydrophobicContact CD1-CG2 4.01Å; I82-F135 HydrophobicContact CD1-CD2 4.2Å; I82-F135 HydrophobicContact CD1-CG 4.4Å
83	A	95	Very high	96.1	Very high	76 Å²	76	76.7 Å²	76.7	63%	0.628	40%	0.404	S	S	*	.			trans	-73.4	113.1	175.5	0	0	0	0	0	111.3
84	L	96.6	Very high	96.1	Very high	37 Å²	37	79.7 Å²	79.7	19%	0.194	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.7	-179.7	-177	70.8	0	0	0	111.7	V73 K74 C77 I82 F122 V124	V73-L84 HydrophobicContact CG1-CD1 4.31Å; V73-L84 HydrophobicContact CG1-CD2 3.81Å; K74-L84 HydrophobicContact CB-CD2 4.45Å; K74-L84 HydrophobicContact CG-CD2 3.74Å; C77-L84 HydrophobicContact CB-CB 3.92Å; C77-L84 HydrophobicContact CB-CD2 4.27Å; I82-L84 PolarHBondContact O-N 3.14Å; L84-F122 HydrophobicContact CD1-CB 3.9Å; L84-F122 HydrophobicContact CD1-CD1 4.06Å; L84-F122 HydrophobicContact CD1-CG 4.43Å; L84-F122 HydrophobicContact CD2-CD1 4.12Å; L84-F122 HydrophobicContact CG-CD1 4.4Å; L84-V124 HydrophobicContact CD1-CG2 3.77Å
85	K	97.5	Very high	96.1	Very high	116 Å²	116	82 Å²	82	50%	0.504	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.7	166.2	-67.3	170.3	-178.5	162.5	0	109.4	F122 T123 D125	K85-F122 CarbonylContact O-C 3.54Å; K85-F122 WeakPolarHBondContact O-CA 3.38Å; K85-T123 PolarHBondContact N-O 3.47Å; K85-T123 PolarHBondContact O-N 2.85Å; K85-D125 WeakPolarHBondContact CE-OD2 3.4Å; K85-D125 IonicContact NZ-OD2 3.39Å; K85-D125 PolarHBondContact NZ-OD2 3.38Å
86	S	96.9	Very high	96.1	Very high	35 Å²	35	83.7 Å²	83.7	25%	0.245	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126	178.8	60.2	0	0	0	0	110.7	E70 K74 Y121	E70-S86 PolarHBondContact OE1-OG 3.11Å; K74-S86 WeakPolarHBondContact CE-OG 3.19Å; K74-S86 PolarHBondContact NZ-OG 3.14Å; S86-Y121 WeakPolarHBondContact CA-O 3.41Å
87	E	96.9	Very high	96	Very high	120 Å²	120	86.2 Å²	86.2	56%	0.561	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.6	177.6	-63.8	178.1	-172.5	0	0	110.5	Y121	E87-Y121 PolarHBondContact N-O 3.36Å; E87-Y121 PolarHBondContact O-N 3.12Å
88	T	96.1	Very high	96	Very high	81 Å²	81	89.8 Å²	89.8	50%	0.497	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.9	174.5	-52	0	0	0	0	109.8	N90 Q120	T88-N90 PolarHBondContact O-N 2.96Å; T88-Q120 VanDerWaalsContact CB-OE1 3.29Å; T88-Q120 VanDerWaalsContact OG1-CD 3.29Å; T88-Q120 PolarHBondContact OG1-NE2 2.94Å; T88-Q120 VanDerWaalsContact OG1-NE2 3.13Å; T88-Q120 PolarHBondContact OG1-OE1 3.2Å
89	R	94	Very high	95.9	Very high	94 Å²	94	88.2 Å²	88.2	36%	0.355	46%	0.456	S	S	.	.			trans	-71.7	124.9	172.2	-166.4	-179.9	177.5	-163.1	-1.9	110.5	R91 T93 Y119 Y121	R89-R91 WeakPolarHBondContact CD-O 3.5Å; R89-R91 PolarHBondContact NE-O 3.42Å; R89-R91 PolarHBondContact O-N 3.38Å; R89-R91 VanDerWaalsContact O-N 3.1Å; R89-T93 PolarHBondContact NH1-OG1 3.44Å; R89-Y119 PolarHBondContact N-O 3.14Å; R89-Y121 HydrophobicContact CB-CE2 4.04Å
90	N	91.4	Very high	95.9	Very high	173 Å²	173	84.7 Å²	84.7	93%	0.925	44%	0.437	S	S	*	.	S	Bend	trans	-56	-31.6	-178.3	-68.6	-1.7	0	0	0	114.8	T88	T88-N90 PolarHBondContact O-N 2.96Å
91	R	95.1	Very high	96	Very high	138 Å²	138	86.2 Å²	86.2	52%	0.521	44%	0.441	S	S	.	.	S	Bend	trans	-131	133.6	-177.4	-167.6	-179.7	63	73.1	-10.5	111.2	R89 F94	R89-R91 WeakPolarHBondContact CD-O 3.5Å; R89-R91 PolarHBondContact NE-O 3.42Å; R89-R91 PolarHBondContact O-N 3.38Å; R89-R91 VanDerWaalsContact O-N 3.1Å; R91-F94 HydrophobicContact CG-CE2 3.92Å; R91-F94 VanDerWaalsContact NH1-CD2 3.29Å
92	P	96.8	Very high	95.9	Very high	18 Å²	18	82.3 Å²	82.3	12%	0.117	41%	0.413	C	S	.	.			trans	-67.8	157.2	173.7	28	-34	0	0	0	111.8	F94 T117	P92-F94 HydrophobicContact CG-CE1 3.86Å; P92-F94 HydrophobicContact CG-CE2 4.23Å; P92-F94 HydrophobicContact CG-CZ 3.66Å; P92-T117 CarbonylContact C-O 3.51Å; P92-T117 VanDerWaalsContact CA-O 3.24Å; P92-T117 WeakPolarHBondContact CA-O 3.2Å; P92-T117 VanDerWaalsContact CB-O 3.26Å; P92-T117 WeakPolarHBondContact CB-O 3.13Å
93	T	97.2	Very high	95.9	Very high	47 Å²	47	87.9 Å²	87.9	29%	0.288	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.9	164.7	-61.2	0	0	0	0	108.3	R89 T117 Y119	R89-T93 PolarHBondContact NH1-OG1 3.44Å; T93-T117 PolarHBondContact N-O 3.45Å; T93-T117 PolarHBondContact O-N 2.96Å; T93-Y119 WeakPolarHBondContact OG1-CE2 3.1Å; T93-Y119 PolarHBondContact OG1-OH 3.44Å
94	F	97	Very high	95.7	Very high	64 Å²	64	91.5 Å²	91.5	28%	0.281	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.2	177.8	-60.4	-76.3	0	0	0	109.6	R91 P92 R96 E114 R116	R91-F94 HydrophobicContact CG-CE2 3.92Å; R91-F94 VanDerWaalsContact NH1-CD2 3.29Å; P92-F94 HydrophobicContact CG-CE1 3.86Å; P92-F94 HydrophobicContact CG-CE2 4.23Å; P92-F94 HydrophobicContact CG-CZ 3.66Å; F94-R96 VanDerWaalsContact CG-NH2 3.25Å; F94-E114 VanDerWaalsContact CD1-CD 3.44Å; F94-E114 HydrophobicContact CD1-CG 4.04Å; F94-E114 WeakPolarHBondContact CD1-OE1 3.43Å; F94-E114 WeakPolarHBondContact CE1-OE1 3.25Å; F94-R116 HydrophobicContact CD1-CG 4.02Å; F94-R116 HydrophobicContact CE1-CG 4.07Å
95	F	97.4	Very high	95.2	Very high	123 Å²	123	95.3 Å²	95.3	54%	0.539	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.3	167.8	178.6	-108.3	0	0	0	108.7	L97 E114 F115	F95-L97 HydrophobicContact CD1-CG 4.31Å; F95-L97 HydrophobicContact CE1-CD1 3.82Å; F95-L97 HydrophobicContact CE1-CD2 3.68Å; F95-L97 HydrophobicContact CE1-CG 3.65Å; F95-L97 HydrophobicContact CE2-CD2 4.45Å; F95-L97 HydrophobicContact CZ-CD1 4.48Å; F95-L97 HydrophobicContact CZ-CD2 3.57Å; F95-L97 HydrophobicContact CZ-CG 4.1Å; F95-E114 CarbonylContact O-C 3.59Å; F95-E114 WeakPolarHBondContact O-CA 3.48Å; F95-F115 HydrophobicContact CB-CB 4.27Å; F95-F115 HydrophobicContact CD1-CB 4.46Å; F95-F115 AromaticContact CD1-CD2 3.71Å; F95-F115 HydrophobicContact CD1-CD2 3.71Å; F95-F115 HydrophobicContact CD1-CE2 4.39Å; F95-F115 HydrophobicContact CD1-CG 4.39Å; F95-F115 HydrophobicContact CE1-CD2 4.38Å; F95-F115 PolarHBondContact N-O 2.83Å; F95-F115 PolarHBondContact O-N 2.98Å
96	R	97.6	Very high	95	Very high	147 Å²	147	96.4 Å²	96.4	56%	0.555	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.6	-173.1	-65.4	-176.9	-178.9	95.1	7.5	110.9	F94 Y113 E114	F94-R96 VanDerWaalsContact CG-NH2 3.25Å; R96-Y113 CarbonylContact C-O 3.58Å; R96-Y113 VanDerWaalsContact CA-O 3.3Å; R96-Y113 WeakPolarHBondContact CA-O 3.25Å; R96-E114 HydrophobicContact CG-CB 4.36Å; R96-E114 HydrophobicContact CG-CG 4.1Å; R96-E114 IonicContact CZ-OE2 3.3Å; R96-E114 VanDerWaalsContact CZ-OE2 3.3Å; R96-E114 IonicContact NE-OE2 2.81Å; R96-E114 PolarHBondContact NE-OE2 3.1Å; R96-E114 IonicContact NH2-OE2 2.94Å; R96-E114 PolarHBondContact NH2-OE2 3.34Å
97	L	96.4	Very high	94.8	Very high	67 Å²	67	100.9 Å²	100.9	35%	0.351	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141	175.8	-63.3	177.8	0	0	0	109.8	F95 Q112 Y113 F115	F95-L97 HydrophobicContact CD1-CG 4.31Å; F95-L97 HydrophobicContact CE1-CD1 3.82Å; F95-L97 HydrophobicContact CE1-CD2 3.68Å; F95-L97 HydrophobicContact CE1-CG 3.65Å; F95-L97 HydrophobicContact CE2-CD2 4.45Å; F95-L97 HydrophobicContact CZ-CD1 4.48Å; F95-L97 HydrophobicContact CZ-CD2 3.57Å; F95-L97 HydrophobicContact CZ-CG 4.1Å; L97-Q112 CarbonylContact O-C 3.59Å; L97-Q112 WeakPolarHBondContact O-CA 3.36Å; L97-Y113 PolarHBondContact N-O 3.05Å; L97-Y113 PolarHBondContact O-N 3.05Å; L97-F115 HydrophobicContact CD1-CE2 4.01Å
98	S	96.2	Very high	94.7	Very high	74 Å²	74	105.3 Å²	105.3	52%	0.517	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120	169.2	55.9	0	0	0	0	109.1	R111	S98-R111 WeakPolarHBondContact CA-O 3.49Å
99	M	95.2	Very high	94.6	Very high	89 Å²	89	106.9 Å²	106.9	44%	0.438	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	152.5	-179.2	-62.2	-165.7	-72.7	0	0	110.1	Q110 R111 Y113	M99-Q110 CarbonylContact O-C 3.5Å; M99-Q110 VanDerWaalsContact O-CA 3.27Å; M99-Q110 WeakPolarHBondContact O-CA 3.49Å; M99-R111 PolarHBondContact N-O 2.82Å; M99-R111 PolarHBondContact O-N 2.85Å; M99-Y113 HydrophobicContact CB-CD2 4.47Å; M99-Y113 HydrophobicContact CB-CE2 4.15Å; M99-Y113 HydrophobicContact CE-CD1 4.48Å; M99-Y113 HydrophobicContact CE-CD2 3.38Å; M99-Y113 HydrophobicContact CE-CE1 4.33Å; M99-Y113 HydrophobicContact CE-CE2 3.18Å; M99-Y113 HydrophobicContact CE-CG 4.05Å; M99-Y113 HydrophobicContact CG-CD2 4.4Å; M99-Y113 HydrophobicContact CG-CE2 4.44Å
100	N	95.9	Very high	94.7	Very high	63 Å²	63	106.8 Å²	106.8	34%	0.337	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	142.2	174	-66.5	-7.4	0	0	0	109.6	S102 K107	N100-S102 WeakPolarHBondContact CB-O 3.22Å; N100-K107 VanDerWaalsContact OD1-CD 3.23Å; N100-K107 WeakPolarHBondContact OD1-CD 3.4Å; N100-K107 PolarHBondContact OD1-NZ 2.85Å
101	K	96.1	Very high	95	Very high	111 Å²	111	103.8 Å²	103.8	48%	0.483	49%	0.488	S	S	.	.	S	Bend	trans	-69.6	-40.5	176	-169.3	178.3	-178.3	179.4	0	111.6	Q109 R111	K101-Q109 HydrophobicContact CB-CB 4.25Å; K101-Q109 PolarHBondContact N-O 3.21Å; K101-R111 HydrophobicContact CB-CG 4.16Å; K101-R111 HydrophobicContact CG-CG 4.08Å; K101-R111 VanDerWaalsContact CG-CZ 3.46Å; K101-R111 PolarHBondContact O-NH1 2.96Å
102	S	94.3	Very high	95.1	Very high	32 Å²	32	105.5 Å²	105.5	22%	0.224	50%	0.502	C	S	.	.	S	Bend	trans	-91.3	146.7	176.4	175.7	0	0	0	0	110.9	N100 F104	N100-S102 WeakPolarHBondContact CB-O 3.22Å; S102-F104 PolarHBondContact O-N 3.4Å; S102-F104 PolarHBondContact OG-N 3.34Å; S102-F104 PolarHBondContact OG-O 3.04Å
103	P	94.3	Very high	95.1	Very high	140 Å²	140	109.1 Å²	109.1	91%	0.909	51%	0.513	S	S	*	.	S	Bend	trans	-61.5	-29.3	170.4	25.4	-34.6	0	0	0	113.4
104	F	91.9	Very high	95.1	Very high	152 Å²	152	110.2 Å²	110.2	67%	0.667	52%	0.515	S	S	*	.	S	Bend	trans	-138.2	149.5	-173.6	-170.5	-121.7	0	0	0	113.3	S102 Y106	S102-F104 PolarHBondContact O-N 3.4Å; S102-F104 PolarHBondContact OG-N 3.34Å; S102-F104 PolarHBondContact OG-O 3.04Å; F104-Y106 WeakPolarHBondContact O-CD2 3.17Å; F104-Y106 PolarHBondContact O-N 2.86Å
105	I	85.9	Confident	95.1	Very high	117 Å²	117	112 Å²	112	60%	0.6	52%	0.523	S	S	*	.	S	Bend	trans	52.6	-20.3	172.2	58.2	167.9	0	0	0	120.6	K107	I105-K107 PolarHBondContact O-N 2.81Å
106	Y	91.6	Very high	95.1	Very high	139 Å²	139	112.7 Å²	112.7	55%	0.545	52%	0.522	S	S	.	.			trans	-94.2	78	-174.9	-60.4	-68.2	0	0	0	113.5	F104	F104-Y106 WeakPolarHBondContact O-CD2 3.17Å; F104-Y106 PolarHBondContact O-N 2.86Å
107	K	92.8	Very high	95.1	Very high	129 Å²	129	107.3 Å²	107.3	56%	0.561	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-28.8	-179.2	-174.8	55.7	174.3	172.7	0	114.9	N100 I105 Q109 Q110	N100-K107 VanDerWaalsContact OD1-CD 3.23Å; N100-K107 WeakPolarHBondContact OD1-CD 3.4Å; N100-K107 PolarHBondContact OD1-NZ 2.85Å; I105-K107 PolarHBondContact O-N 2.81Å; K107-Q109 VanDerWaalsContact C-N 3.26Å; K107-Q109 PolarHBondContact O-N 2.9Å; K107-Q110 VanDerWaalsContact CE-NE2 3.3Å; K107-Q110 PolarHBondContact O-NE2 2.81Å
108	K	95.1	Very high	95.2	Very high	214 Å²	214	106 Å²	106	93%	0.93	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.9	-177.6	-68	-175.7	179.6	179.8	0	112.7
109	Q	95.3	Very high	95.3	Very high	114 Å²	114	104.5 Å²	104.5	53%	0.533	48%	0.481	S	S	.	.			trans	-97.7	109.9	-179.1	-63.4	178.9	2.6	0	0	110.2	K101 K107	K101-Q109 HydrophobicContact CB-CB 4.25Å; K101-Q109 PolarHBondContact N-O 3.21Å; K107-Q109 VanDerWaalsContact C-N 3.26Å; K107-Q109 PolarHBondContact O-N 2.9Å
110	Q	95.6	Very high	95.4	Very high	91 Å²	91	100.4 Å²	100.4	43%	0.425	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148	-179.8	-63.9	-176.1	-1.4	0	0	111.6	M99 K107	M99-Q110 CarbonylContact O-C 3.5Å; M99-Q110 VanDerWaalsContact O-CA 3.27Å; M99-Q110 WeakPolarHBondContact O-CA 3.49Å; K107-Q110 VanDerWaalsContact CE-NE2 3.3Å; K107-Q110 PolarHBondContact O-NE2 2.81Å
111	R	96.6	Very high	95.5	Very high	111 Å²	111	100.8 Å²	100.8	42%	0.419	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.3	167	-68	-176.6	177.3	118.9	0.8	108.4	S98 M99 K101 Y113	S98-R111 WeakPolarHBondContact CA-O 3.49Å; M99-R111 PolarHBondContact N-O 2.82Å; M99-R111 PolarHBondContact O-N 2.85Å; K101-R111 HydrophobicContact CB-CG 4.16Å; K101-R111 HydrophobicContact CG-CG 4.08Å; K101-R111 VanDerWaalsContact CG-CZ 3.46Å; K101-R111 PolarHBondContact O-NH1 2.96Å; R111-Y113 HydrophobicContact CB-CD2 4.3Å; R111-Y113 HydrophobicContact CB-CE2 3.57Å; R111-Y113 VanDerWaalsContact CD-OH 3.3Å; R111-Y113 WeakPolarHBondContact CD-OH 3.46Å
112	Q	97.1	Very high	95.6	Very high	174 Å²	174	95.6 Å²	95.6	81%	0.813	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.6	172.8	-61.9	-179	12.2	0	0	108.6	L97	L97-Q112 CarbonylContact O-C 3.59Å; L97-Q112 WeakPolarHBondContact O-CA 3.36Å
113	Y	98	Very high	95.8	Very high	93 Å²	93	95.4 Å²	95.4	37%	0.365	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.1	175.3	-65	-93.9	0	0	0	108.8	R96 L97 M99 R111	R96-Y113 CarbonylContact C-O 3.58Å; R96-Y113 VanDerWaalsContact CA-O 3.3Å; R96-Y113 WeakPolarHBondContact CA-O 3.25Å; L97-Y113 PolarHBondContact N-O 3.05Å; L97-Y113 PolarHBondContact O-N 3.05Å; M99-Y113 HydrophobicContact CB-CD2 4.47Å; M99-Y113 HydrophobicContact CB-CE2 4.15Å; M99-Y113 HydrophobicContact CE-CD1 4.48Å; M99-Y113 HydrophobicContact CE-CD2 3.38Å; M99-Y113 HydrophobicContact CE-CE1 4.33Å; M99-Y113 HydrophobicContact CE-CE2 3.18Å; M99-Y113 HydrophobicContact CE-CG 4.05Å; M99-Y113 HydrophobicContact CG-CD2 4.4Å; M99-Y113 HydrophobicContact CG-CE2 4.44Å; R111-Y113 HydrophobicContact CB-CD2 4.3Å; R111-Y113 HydrophobicContact CB-CE2 3.57Å; R111-Y113 VanDerWaalsContact CD-OH 3.3Å; R111-Y113 WeakPolarHBondContact CD-OH 3.46Å
114	E	97.3	Very high	95.9	Very high	70 Å²	70	88.8 Å²	88.8	33%	0.327	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.4	177.8	-176	174.9	114.7	0	0	109.5	F94 F95 R96 R116	F94-E114 VanDerWaalsContact CD1-CD 3.44Å; F94-E114 HydrophobicContact CD1-CG 4.04Å; F94-E114 WeakPolarHBondContact CD1-OE1 3.43Å; F94-E114 WeakPolarHBondContact CE1-OE1 3.25Å; F95-E114 CarbonylContact O-C 3.59Å; F95-E114 WeakPolarHBondContact O-CA 3.48Å; R96-E114 HydrophobicContact CG-CB 4.36Å; R96-E114 HydrophobicContact CG-CG 4.1Å; R96-E114 IonicContact CZ-OE2 3.3Å; R96-E114 VanDerWaalsContact CZ-OE2 3.3Å; R96-E114 IonicContact NE-OE2 2.81Å; R96-E114 PolarHBondContact NE-OE2 3.1Å; R96-E114 IonicContact NH2-OE2 2.94Å; R96-E114 PolarHBondContact NH2-OE2 3.34Å; E114-R116 HydrophobicContact CG-CG 4.22Å; E114-R116 IonicContact OE1-CZ 3.47Å; E114-R116 IonicContact OE1-NE 2.62Å; E114-R116 PolarHBondContact OE1-NE 3.25Å; E114-R116 IonicContact OE1-NH2 3.18Å; E114-R116 PolarHBondContact OE1-NH2 3.19Å; E114-R116 VanDerWaalsContact OE1-NH2 3.15Å
115	F	96.9	Very high	96.1	Very high	103 Å²	103	83.8 Å²	83.8	45%	0.452	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.3	168.2	-60.5	-94.5	0	0	0	108	F95 L97	F95-F115 HydrophobicContact CB-CB 4.27Å; F95-F115 HydrophobicContact CD1-CB 4.46Å; F95-F115 AromaticContact CD1-CD2 3.71Å; F95-F115 HydrophobicContact CD1-CD2 3.71Å; F95-F115 HydrophobicContact CD1-CE2 4.39Å; F95-F115 HydrophobicContact CD1-CG 4.39Å; F95-F115 HydrophobicContact CE1-CD2 4.38Å; F95-F115 PolarHBondContact N-O 2.83Å; F95-F115 PolarHBondContact O-N 2.98Å; L97-F115 HydrophobicContact CD1-CE2 4.01Å
116	R	97.6	Very high	96.6	Very high	137 Å²	137	85.5 Å²	85.5	52%	0.517	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.7	178.5	-63.5	178.4	178.6	165.1	3.1	108.7	H61 F94 E114	H61-R116 PolarHBondContact ND1-O 3.45Å; F94-R116 HydrophobicContact CD1-CG 4.02Å; F94-R116 HydrophobicContact CE1-CG 4.07Å; E114-R116 HydrophobicContact CG-CG 4.22Å; E114-R116 IonicContact OE1-CZ 3.47Å; E114-R116 IonicContact OE1-NE 2.62Å; E114-R116 PolarHBondContact OE1-NE 3.25Å; E114-R116 IonicContact OE1-NH2 3.18Å; E114-R116 PolarHBondContact OE1-NH2 3.19Å; E114-R116 VanDerWaalsContact OE1-NH2 3.15Å
117	T	97.9	Very high	96.8	Very high	34 Å²	34	79.4 Å²	79.4	21%	0.209	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.9	171.1	-52.6	0	0	0	0	108.4	K59 P92 T93 Y119	K59-T117 HydrophobicContact CB-CG2 4.07Å; P92-T117 CarbonylContact C-O 3.51Å; P92-T117 VanDerWaalsContact CA-O 3.24Å; P92-T117 WeakPolarHBondContact CA-O 3.2Å; P92-T117 VanDerWaalsContact CB-O 3.26Å; P92-T117 WeakPolarHBondContact CB-O 3.13Å; T93-T117 PolarHBondContact N-O 3.45Å; T93-T117 PolarHBondContact O-N 2.96Å; T117-Y119 HydrophobicContact CG2-CD2 4.45Å; T117-Y119 HydrophobicContact CG2-CE1 4.4Å; T117-Y119 HydrophobicContact CG2-CE2 3.78Å; T117-Y119 WeakPolarHBondContact O-CD2 3.39Å; T117-Y119 VanDerWaalsContact O-CE2 3.23Å; T117-Y119 WeakPolarHBondContact O-CE2 3.41Å
118	H	98.1	Very high	97	Very high	40 Å²	40	75.6 Å²	75.6	19%	0.185	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	151.7	171.2	-64.5	-89.9	0	0	0	109.6	K59 G60 H61 L66	K59-H118 WeakPolarHBondContact CA-O 3.02Å; G60-H118 PolarHBondContact N-O 3.36Å; G60-H118 VanDerWaalsContact N-O 3.08Å; G60-H118 PolarHBondContact O-N 3.43Å; H61-H118 PolarHBondContact O-CD2 3.44Å; H61-H118 VanDerWaalsContact O-CD2 3.25Å; L66-H118 HydrophobicContact CD1-CB 3.46Å; L66-H118 VanDerWaalsContact CD1-CB 3.46Å
119	Y	98	Very high	96.9	Very high	41 Å²	41	65.5 Å²	65.5	16%	0.161	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.2	-176.2	-63.4	-101.4	0	0	0	109.5	T57 V58 K59 R89 T93 T117	T57-Y119 HydrophobicContact CG2-CD1 4.08Å; V58-Y119 WeakPolarHBondContact O-CA 3.46Å; K59-Y119 HydrophobicContact CD-CD1 4.26Å; K59-Y119 HydrophobicContact CD-CE1 3.75Å; K59-Y119 HydrophobicContact CG-CD1 3.74Å; K59-Y119 HydrophobicContact CG-CE1 3.71Å; R89-Y119 PolarHBondContact N-O 3.14Å; T93-Y119 WeakPolarHBondContact OG1-CE2 3.1Å; T93-Y119 PolarHBondContact OG1-OH 3.44Å; T117-Y119 HydrophobicContact CG2-CD2 4.45Å; T117-Y119 HydrophobicContact CG2-CE1 4.4Å; T117-Y119 HydrophobicContact CG2-CE2 3.78Å; T117-Y119 WeakPolarHBondContact O-CD2 3.39Å; T117-Y119 VanDerWaalsContact O-CE2 3.23Å; T117-Y119 WeakPolarHBondContact O-CE2 3.41Å
120	Q	97.5	Very high	96.8	Very high	4 Å²	4	63.5 Å²	63.5	2%	0.019	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.3	167.6	-167.3	68.6	19.8	0	0	108.3	V58 E70 T88 F122	V58-Q120 HydrophobicContact CB-CB 4.43Å; V58-Q120 PolarHBondContact N-O 3.27Å; V58-Q120 PolarHBondContact O-N 3.27Å; E70-Q120 VanDerWaalsContact CD-NE2 3.3Å; E70-Q120 PolarHBondContact OE2-NE2 2.71Å; T88-Q120 VanDerWaalsContact CB-OE1 3.29Å; T88-Q120 VanDerWaalsContact OG1-CD 3.29Å; T88-Q120 PolarHBondContact OG1-NE2 2.94Å; T88-Q120 VanDerWaalsContact OG1-NE2 3.13Å; T88-Q120 PolarHBondContact OG1-OE1 3.2Å; Q120-F122 HydrophobicContact CB-CE2 4.15Å; Q120-F122 HydrophobicContact CB-CZ 4.39Å; Q120-F122 HydrophobicContact CG-CD2 4.43Å; Q120-F122 HydrophobicContact CG-CE1 4.11Å; Q120-F122 HydrophobicContact CG-CE2 3.66Å; Q120-F122 HydrophobicContact CG-CZ 3.47Å; Q120-F122 VanDerWaalsContact CG-CZ 3.47Å
121	Y	98	Very high	96.8	Very high	71 Å²	71	61.7 Å²	61.7	28%	0.278	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.9	177.4	-55.3	-77.4	0	0	0	109.3	I56 T57 S86 E87 R89	I56-Y121 WeakPolarHBondContact O-CA 3.19Å; T57-Y121 HydrophobicContact CG2-CD1 3.92Å; T57-Y121 HydrophobicContact CG2-CE1 3.63Å; T57-Y121 WeakPolarHBondContact OG1-CD1 3.46Å; S86-Y121 WeakPolarHBondContact CA-O 3.41Å; E87-Y121 PolarHBondContact N-O 3.36Å; E87-Y121 PolarHBondContact O-N 3.12Å; R89-Y121 HydrophobicContact CB-CE2 4.04Å
122	F	97.8	Very high	96.8	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127	171.2	-56.3	-82.4	0	0	0	108.3	I56 V58 Y69 E70 V73 L84 K85 Q120	I56-F122 HydrophobicContact CB-CB 4.15Å; I56-F122 HydrophobicContact CB-CD2 4.45Å; I56-F122 PolarHBondContact N-O 3.43Å; I56-F122 PolarHBondContact O-N 2.81Å; V58-F122 HydrophobicContact CB-CE2 4.24Å; V58-F122 HydrophobicContact CG2-CD2 3.92Å; V58-F122 HydrophobicContact CG2-CE2 3.65Å; Y69-F122 HydrophobicContact CD1-CE2 4.41Å; Y69-F122 HydrophobicContact CD1-CZ 4.5Å; E70-F122 HydrophobicContact CB-CE1 4.09Å; E70-F122 HydrophobicContact CB-CZ 4.02Å; E70-F122 HydrophobicContact CG-CE1 3.84Å; E70-F122 HydrophobicContact CG-CZ 4.25Å; V73-F122 HydrophobicContact CB-CE1 4.07Å; V73-F122 HydrophobicContact CB-CZ 4.35Å; V73-F122 HydrophobicContact CG1-CD1 4.04Å; V73-F122 HydrophobicContact CG1-CE1 4.11Å; V73-F122 HydrophobicContact CG1-CG 4.45Å; V73-F122 HydrophobicContact CG2-CZ 4.33Å; L84-F122 HydrophobicContact CD1-CB 3.9Å; L84-F122 HydrophobicContact CD1-CD1 4.06Å; L84-F122 HydrophobicContact CD1-CG 4.43Å; L84-F122 HydrophobicContact CD2-CD1 4.12Å; L84-F122 HydrophobicContact CG-CD1 4.4Å; K85-F122 CarbonylContact O-C 3.54Å; K85-F122 WeakPolarHBondContact O-CA 3.38Å; Q120-F122 HydrophobicContact CB-CE2 4.15Å; Q120-F122 HydrophobicContact CB-CZ 4.39Å; Q120-F122 HydrophobicContact CG-CD2 4.43Å; Q120-F122 HydrophobicContact CG-CE1 4.11Å; Q120-F122 HydrophobicContact CG-CE2 3.66Å; Q120-F122 HydrophobicContact CG-CZ 3.47Å; Q120-F122 VanDerWaalsContact CG-CZ 3.47Å
123	T	97.9	Very high	96.7	Very high	28 Å²	28	51.5 Å²	51.5	17%	0.172	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.7	174.6	-56	0	0	0	0	108.5	L54 V55 K85	L54-T123 WeakPolarHBondContact O-CA 3.49Å; V55-T123 HydrophobicContact CG2-CG2 4.42Å; K85-T123 PolarHBondContact N-O 3.47Å; K85-T123 PolarHBondContact O-N 2.85Å
124	V	97.5	Very high	96.6	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.7	170.3	173.7	0	0	0	0	107.4	K53 L54 I82 L84 I127 F135	K53-V124 CarbonylContact C-O 3.56Å; K53-V124 VanDerWaalsContact CA-O 3.31Å; K53-V124 WeakPolarHBondContact CA-O 3.38Å; L54-V124 HydrophobicContact CB-CB 4.37Å; L54-V124 PolarHBondContact N-O 3.37Å; L54-V124 PolarHBondContact O-N 3.06Å; I82-V124 HydrophobicContact CG2-CB 4.31Å; I82-V124 HydrophobicContact CG2-CG1 3.3Å; I82-V124 HydrophobicContact CG2-CG2 4.06Å; L84-V124 HydrophobicContact CD1-CG2 3.77Å; V124-I127 HydrophobicContact CG1-CB 4.23Å; V124-I127 HydrophobicContact CG1-CD1 4.15Å; V124-F135 HydrophobicContact CG2-CE1 4.06Å; V124-F135 HydrophobicContact CG2-CZ 4.2Å
125	D	95.9	Very high	96.6	Very high	47 Å²	47	48 Å²	48	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.6	177.3	-66.7	-39.8	0	0	0	109.7	K85	K85-D125 WeakPolarHBondContact CE-OD2 3.4Å; K85-D125 IonicContact NZ-OD2 3.39Å; K85-D125 PolarHBondContact NZ-OD2 3.38Å
126	H	95.8	Very high	96.6	Very high	153 Å²	153	43.4 Å²	43.4	71%	0.708	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	56.9	77.5	169.5	-47.3	-24.2	0	0	0	114.2	K52	K52-H126 PolarHBondContact O-N 3.43Å; K52-H126 PolarHBondContact O-ND1 3.25Å; K52-H126 VanDerWaalsContact O-ND1 3.13Å
127	I	96	Very high	96.5	Very high	11 Å²	11	41 Å²	41	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.9	-179.5	-166.7	168.2	0	0	0	110.8	Y51 L54 I82 V124 T131 A132	Y51-I127 HydrophobicContact CD2-CG2 4.24Å; Y51-I127 HydrophobicContact CG-CG2 4.47Å; Y51-I127 PolarHBondContact N-O 2.81Å; Y51-I127 PolarHBondContact O-N 3.08Å; Y51-I127 VanDerWaalsContact O-N 3.11Å; L54-I127 HydrophobicContact CB-CG2 4.21Å; L54-I127 HydrophobicContact CD1-CG2 4.32Å; I82-I127 HydrophobicContact CD1-CD1 4.15Å; V124-I127 HydrophobicContact CG1-CB 4.23Å; V124-I127 HydrophobicContact CG1-CD1 4.15Å; I127-T131 HydrophobicContact CD1-CG2 4.13Å; I127-T131 HydrophobicContact CG1-CG2 4.14Å; I127-A132 HydrophobicContact CD1-CB 3.93Å; I127-A132 HydrophobicContact CG1-CB 4.09Å; I127-A132 HydrophobicContact CG2-CB 4.1Å
128	T	96.2	Very high	96.5	Very high	49 Å²	49	44.9 Å²	44.9	30%	0.301	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	162	173	50.6	0	0	0	0	111	D48 V49 L50 T131 A132	D48-T128 WeakPolarHBondContact OD2-CB 3.5Å; V49-T128 CarbonylContact O-C 3.5Å; L50-T128 HydrophobicContact CD2-CG2 3.92Å; T128-T131 WeakPolarHBondContact OG1-CB 3.24Å; T128-T131 PolarHBondContact OG1-OG1 3.47Å; T128-A132 WeakPolarHBondContact O-CB 3.26Å; T128-A132 PolarHBondContact O-N 2.89Å
129	G	94.8	Very high	96.5	Very high	3 Å²	3	43 Å²	43	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-52.1	-175.1	0	0	0	0	0	110.8	D48 V49 T131 A132 D133	D48-G129 WeakPolarHBondContact OD1-CA 3.49Å; D48-G129 PolarHBondContact OD1-N 3.13Å; D48-G129 PolarHBondContact OD2-N 2.93Å; V49-G129 WeakPolarHBondContact O-CA 3.36Å; V49-G129 PolarHBondContact O-N 3.35Å; G129-T131 PolarHBondContact O-N 2.81Å; G129-A132 PolarHBondContact O-N 3.42Å; G129-D133 PolarHBondContact O-N 2.8Å
130	C	93.1	Very high	96.4	Very high	71 Å²	71	46.1 Å²	46.1	48%	0.48	24%	0.235	S	C	.	.	H	α-helix	trans	-54.9	-47.4	176.4	58.5	0	0	0	0	112.9	D48 D133 V134	D48-C130 PolarHBondContact OD1-N 2.79Å; D48-C130 PolarHBondContact OD2-N 2.75Å; D48-C130 PolarHBondContact OD2-SG 2.85Å; C130-D133 PolarHBondContact O-N 2.62Å; C130-V134 WeakPolarHBondContact O-CG2 3.21Å; C130-V134 PolarHBondContact O-N 3.2Å; C130-V134 VanDerWaalsContact O-N 3.14Å
131	T	95.4	Very high	96.4	Very high	54 Å²	54	54.7 Å²	54.7	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-68.7	-38.3	179.9	-55.8	0	0	0	0	111.5	I82 I127 T128 G129 D133 F135	I82-T131 HydrophobicContact CD1-CG2 4.01Å; I127-T131 HydrophobicContact CD1-CG2 4.13Å; I127-T131 HydrophobicContact CG1-CG2 4.14Å; T128-T131 WeakPolarHBondContact OG1-CB 3.24Å; T128-T131 PolarHBondContact OG1-OG1 3.47Å; G129-T131 PolarHBondContact O-N 2.81Å; T131-D133 VanDerWaalsContact C-N 3.32Å; T131-D133 PolarHBondContact O-N 3.22Å; T131-F135 WeakPolarHBondContact O-CB 3.37Å; T131-F135 PolarHBondContact O-N 3.15Å
132	A	96.6	Very high	96.4	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-38.7	175.7	0	0	0	0	0	112.1	Y51 L54 I127 T128 G129 L136	Y51-A132 HydrophobicContact CD2-CB 3.86Å; Y51-A132 HydrophobicContact CE2-CB 3.97Å; L54-A132 HydrophobicContact CD1-CB 3.96Å; I127-A132 HydrophobicContact CD1-CB 3.93Å; I127-A132 HydrophobicContact CG1-CB 4.09Å; I127-A132 HydrophobicContact CG2-CB 4.1Å; T128-A132 WeakPolarHBondContact O-CB 3.26Å; T128-A132 PolarHBondContact O-N 2.89Å; G129-A132 PolarHBondContact O-N 3.42Å; A132-L136 VanDerWaalsContact O-CB 3.22Å; A132-L136 WeakPolarHBondContact O-CB 3.23Å; A132-L136 WeakPolarHBondContact O-CG 3.4Å; A132-L136 PolarHBondContact O-N 3.28Å
133	D	95.2	Very high	96.4	Very high	70 Å²	70	57.4 Å²	57.4	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-70.6	-44.4	-179.8	-70.5	-21.3	0	0	0	111.6	G129 C130 T131 F135 L136 E137 K153	G129-D133 PolarHBondContact O-N 2.8Å; C130-D133 PolarHBondContact O-N 2.62Å; T131-D133 VanDerWaalsContact C-N 3.32Å; T131-D133 PolarHBondContact O-N 3.22Å; D133-F135 VanDerWaalsContact C-N 3.34Å; D133-F135 PolarHBondContact O-N 2.71Å; D133-L136 PolarHBondContact O-N 2.68Å; D133-E137 WeakPolarHBondContact O-CB 3.43Å; D133-E137 PolarHBondContact O-N 2.94Å; D133-K153 IonicContact OD1-NZ 2.71Å; D133-K153 PolarHBondContact OD1-NZ 3.31Å
134	V	95.5	Very high	96.4	Very high	89 Å²	89	58 Å²	58	54%	0.539	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-43.7	173.2	174.7	0	0	0	0	111.4	C130 E137 Y138	C130-V134 WeakPolarHBondContact O-CG2 3.21Å; C130-V134 PolarHBondContact O-N 3.2Å; C130-V134 VanDerWaalsContact O-N 3.14Å; V134-E137 PolarHBondContact O-N 2.83Å; V134-Y138 PolarHBondContact O-N 2.78Å; V134-Y138 VanDerWaalsContact O-N 3.11Å
135	F	96.3	Very high	96.3	Very high	1 Å²	1	67 Å²	67	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-49.4	178.3	174.3	-114.5	0	0	0	112.1	I56 V73 V76 C77 L80 I82 V124 T131 D133 E137 Y138 I139	I56-F135 HydrophobicContact CD1-CE1 3.9Å; V73-F135 HydrophobicContact CG1-CZ 4.43Å; V76-F135 HydrophobicContact CG1-CD2 4.12Å; V76-F135 HydrophobicContact CG1-CE2 4.09Å; C77-F135 WeakPolarHBondContact SG-CE2 3.46Å; C77-F135 VanDerWaalsContact SG-CZ 3.58Å; L80-F135 HydrophobicContact CD1-CB 4.46Å; L80-F135 HydrophobicContact CD1-CD2 3.85Å; I82-F135 HydrophobicContact CD1-CD2 4.2Å; I82-F135 HydrophobicContact CD1-CG 4.4Å; V124-F135 HydrophobicContact CG2-CE1 4.06Å; V124-F135 HydrophobicContact CG2-CZ 4.2Å; T131-F135 WeakPolarHBondContact O-CB 3.37Å; T131-F135 PolarHBondContact O-N 3.15Å; D133-F135 VanDerWaalsContact C-N 3.34Å; D133-F135 PolarHBondContact O-N 2.71Å; F135-E137 VanDerWaalsContact C-N 3.35Å; F135-Y138 PolarHBondContact O-N 2.89Å; F135-I139 HydrophobicContact CD1-CD1 4.18Å; F135-I139 HydrophobicContact CD2-CD1 3.83Å; F135-I139 HydrophobicContact CD2-CG1 4.47Å; F135-I139 HydrophobicContact CE1-CD1 3.63Å; F135-I139 HydrophobicContact CE2-CD1 3.24Å; F135-I139 HydrophobicContact CE2-CG1 4.22Å; F135-I139 HydrophobicContact CG-CD1 4.28Å; F135-I139 HydrophobicContact CZ-CD1 3.13Å; F135-I139 HydrophobicContact CZ-CG1 4.46Å; F135-I139 WeakPolarHBondContact O-CB 3.35Å; F135-I139 WeakPolarHBondContact O-CG1 3.34Å; F135-I139 PolarHBondContact O-N 2.95Å; F135-I139 VanDerWaalsContact O-N 3.13Å
136	L	96.8	Very high	96.3	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-65.7	-39.1	179.1	-75.3	174.8	0	0	0	111.6	L54 I56 A132 D133 I139 Q140 V151	L54-L136 HydrophobicContact CD1-CD1 4.13Å; L54-L136 HydrophobicContact CD1-CD2 4.39Å; L54-L136 HydrophobicContact CD1-CG 4.21Å; L54-L136 HydrophobicContact CD2-CD2 4.31Å; I56-L136 HydrophobicContact CD1-CD2 3.93Å; I56-L136 HydrophobicContact CG1-CD2 4.49Å; A132-L136 VanDerWaalsContact O-CB 3.22Å; A132-L136 WeakPolarHBondContact O-CB 3.23Å; A132-L136 WeakPolarHBondContact O-CG 3.4Å; A132-L136 PolarHBondContact O-N 3.28Å; D133-L136 PolarHBondContact O-N 2.68Å; L136-I139 PolarHBondContact O-N 3.14Å; L136-Q140 WeakPolarHBondContact O-CB 3.45Å; L136-Q140 WeakPolarHBondContact O-CG 3.07Å; L136-Q140 PolarHBondContact O-N 3.14Å; L136-V151 HydrophobicContact CD1-CG1 3.99Å; L136-V151 HydrophobicContact CD2-CG1 3.96Å; L136-V151 HydrophobicContact CD2-CG2 4.01Å
137	E	96.8	Very high	96.4	Very high	87 Å²	87	61.2 Å²	61.2	41%	0.407	32%	0.322	S	S	.	.	H	α-helix	trans	-57.8	-50.8	176.2	178.9	179.7	-169.1	0	0	111.2	D133 V134 F135 I139 Q140 R141	D133-E137 WeakPolarHBondContact O-CB 3.43Å; D133-E137 PolarHBondContact O-N 2.94Å; V134-E137 PolarHBondContact O-N 2.83Å; F135-E137 VanDerWaalsContact C-N 3.35Å; E137-I139 VanDerWaalsContact C-N 3.35Å; E137-I139 PolarHBondContact O-N 2.81Å; E137-Q140 PolarHBondContact O-N 2.86Å; E137-R141 WeakPolarHBondContact O-CB 3.44Å; E137-R141 VanDerWaalsContact O-CG 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 2.91Å; E137-R141 IonicContact OE1-CZ 3.14Å; E137-R141 IonicContact OE1-NE 3.15Å; E137-R141 PolarHBondContact OE1-NE 3.21Å; E137-R141 VanDerWaalsContact OE1-NE 3.14Å; E137-R141 IonicContact OE1-NH2 3.06Å; E137-R141 PolarHBondContact OE1-NH2 2.91Å
138	Y	97.5	Very high	96.4	Very high	116 Å²	116	63.4 Å²	63.4	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-41.7	-178.8	-171.3	-106	0	0	0	112.3	F72 V76 V134 F135 N142	F72-Y138 AromaticContact CE2-CE1 3.76Å; F72-Y138 HydrophobicContact CE2-CE1 3.76Å; F72-Y138 HydrophobicContact CZ-CD1 4.02Å; F72-Y138 AromaticContact CZ-CE1 3.54Å; F72-Y138 HydrophobicContact CZ-CE1 3.54Å; V76-Y138 HydrophobicContact CG1-CD1 3.95Å; V76-Y138 HydrophobicContact CG1-CE1 4.41Å; V76-Y138 HydrophobicContact CG2-CD1 3.74Å; V76-Y138 HydrophobicContact CG2-CE1 3.47Å; V76-Y138 VanDerWaalsContact CG2-CE1 3.47Å; V134-Y138 PolarHBondContact O-N 2.78Å; V134-Y138 VanDerWaalsContact O-N 3.11Å; F135-Y138 PolarHBondContact O-N 2.89Å; Y138-N142 PolarHBondContact O-N 2.8Å; Y138-N142 PolarHBondContact O-ND2 2.78Å
139	I	97	Very high	96.5	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-66.3	-45.8	177.4	-74	-177.1	0	0	0	111	Y69 V73 F135 L136 E137 R141 N142 L143 M149	Y69-I139 WeakPolarHBondContact OH-CG2 3.2Å; Y69-I139 PolarHBondContact OH-O 3Å; Y69-I139 VanDerWaalsContact OH-O 3.12Å; V73-I139 HydrophobicContact CG1-CD1 3.95Å; V73-I139 HydrophobicContact CG2-CD1 4.19Å; F135-I139 HydrophobicContact CD1-CD1 4.18Å; F135-I139 HydrophobicContact CD2-CD1 3.83Å; F135-I139 HydrophobicContact CD2-CG1 4.47Å; F135-I139 HydrophobicContact CE1-CD1 3.63Å; F135-I139 HydrophobicContact CE2-CD1 3.24Å; F135-I139 HydrophobicContact CE2-CG1 4.22Å; F135-I139 HydrophobicContact CG-CD1 4.28Å; F135-I139 HydrophobicContact CZ-CD1 3.13Å; F135-I139 HydrophobicContact CZ-CG1 4.46Å; F135-I139 WeakPolarHBondContact O-CB 3.35Å; F135-I139 WeakPolarHBondContact O-CG1 3.34Å; F135-I139 PolarHBondContact O-N 2.95Å; F135-I139 VanDerWaalsContact O-N 3.13Å; L136-I139 PolarHBondContact O-N 3.14Å; E137-I139 VanDerWaalsContact C-N 3.35Å; E137-I139 PolarHBondContact O-N 2.81Å; I139-R141 PolarHBondContact O-N 2.81Å; I139-N142 CarbonylContact O-C 3.55Å; I139-N142 PolarHBondContact O-N 2.92Å; I139-L143 PolarHBondContact O-N 3Å; I139-M149 HydrophobicContact CG2-CE 4.18Å; I139-M149 HydrophobicContact CG2-SD 3.87Å
140	Q	97.1	Very high	96.7	Very high	105 Å²	105	67.3 Å²	67.3	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-62.8	-40.9	179.9	-75.5	172.5	9.1	0	0	112.2	L136 E137 N142 L143 M149	L136-Q140 WeakPolarHBondContact O-CB 3.45Å; L136-Q140 WeakPolarHBondContact O-CG 3.07Å; L136-Q140 PolarHBondContact O-N 3.14Å; E137-Q140 PolarHBondContact O-N 2.86Å; Q140-N142 PolarHBondContact O-N 2.92Å; Q140-L143 WeakPolarHBondContact O-CB 3.4Å; Q140-L143 PolarHBondContact O-N 3.28Å; Q140-M149 HydrophobicContact CB-CE 4.27Å; Q140-M149 HydrophobicContact CG-CE 3.18Å
141	R	97.6	Very high	96.9	Very high	184 Å²	184	66 Å²	66	69%	0.694	35%	0.346	S	S	*	.	H	α-helix	trans	-61.4	-27.5	177.3	-75.3	173.1	177.9	-132.1	4.5	113	E137 I139	E137-R141 WeakPolarHBondContact O-CB 3.44Å; E137-R141 VanDerWaalsContact O-CG 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 2.91Å; E137-R141 IonicContact OE1-CZ 3.14Å; E137-R141 IonicContact OE1-NE 3.15Å; E137-R141 PolarHBondContact OE1-NE 3.21Å; E137-R141 VanDerWaalsContact OE1-NE 3.14Å; E137-R141 IonicContact OE1-NH2 3.06Å; E137-R141 PolarHBondContact OE1-NH2 2.91Å; I139-R141 PolarHBondContact O-N 2.81Å
142	N	97.5	Very high	97	Very high	77 Å²	77	65.6 Å²	65.6	41%	0.412	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	18.6	-177.6	-65.9	-73.6	0	0	0	113	F72 Y138 I139 Q140 P144	F72-N142 HydrophobicContact CE1-CB 3.86Å; F72-N142 HydrophobicContact CZ-CB 3.64Å; Y138-N142 PolarHBondContact O-N 2.8Å; Y138-N142 PolarHBondContact O-ND2 2.78Å; I139-N142 CarbonylContact O-C 3.55Å; I139-N142 PolarHBondContact O-N 2.92Å; Q140-N142 PolarHBondContact O-N 2.92Å; N142-P144 WeakPolarHBondContact O-CD 3.43Å
143	L	96.9	Very high	97.1	Very high	52 Å²	52	69.9 Å²	69.9	27%	0.272	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-68.3	124.5	178.6	-169.1	67.8	0	0	0	110.3	Y69 I139 Q140 V147 M149	Y69-L143 HydrophobicContact CE1-CD1 4.18Å; Y69-L143 HydrophobicContact CE2-CD1 4.39Å; Y69-L143 WeakPolarHBondContact OH-CD1 3.36Å; I139-L143 PolarHBondContact O-N 3Å; Q140-L143 WeakPolarHBondContact O-CB 3.4Å; Q140-L143 PolarHBondContact O-N 3.28Å; L143-V147 HydrophobicContact CD1-CB 4.36Å; L143-V147 HydrophobicContact CD1-CG1 3.91Å; L143-V147 WeakPolarHBondContact CD2-O 3.3Å; L143-V147 HydrophobicContact CG-CB 4.5Å; L143-M149 HydrophobicContact CD1-CB 4.13Å; L143-M149 HydrophobicContact CD1-SD 4.46Å; L143-M149 HydrophobicContact CD2-CB 3.92Å
144	P	98	Very high	97.2	Very high	41 Å²	41	70.2 Å²	70.2	27%	0.266	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-67.3	154.4	-178.9	-20.9	32.4	0	0	0	113.2	V65 Y69 N142 V147	V65-P144 HydrophobicContact CG1-CB 3.83Å; V65-P144 HydrophobicContact CG1-CG 4.05Å; Y69-P144 HydrophobicContact CD2-CG 3.83Å; Y69-P144 HydrophobicContact CE2-CG 4.34Å; Y69-P144 HydrophobicContact CG-CG 4.44Å; N142-P144 WeakPolarHBondContact O-CD 3.43Å; P144-V147 HydrophobicContact CB-CG2 4.02Å; P144-V147 HydrophobicContact CG-CG2 4.42Å; P144-V147 WeakPolarHBondContact O-CB 3.3Å; P144-V147 PolarHBondContact O-N 3.35Å
145	E	96.4	Very high	97.2	Very high	189 Å²	189	72.9 Å²	72.9	88%	0.883	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	140.9	175.2	-64.5	-62.7	171	0	0	112.3	V147	E145-V147 PolarHBondContact O-N 3.47Å
146	G	95.3	Very high	97.2	Very high	60 Å²	60	77 Å²	77	62%	0.619	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	8.7	-177.4	0	0	0	0	0	114.6
147	V	97.8	Very high	97.1	Very high	19 Å²	19	83.4 Å²	83.4	12%	0.115	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.5	172.4	-177.7	0	0	0	0	109.4	V58 K59 V65 L66 L143 P144 E145	V58-V147 HydrophobicContact CG1-CG1 3.14Å; K59-V147 CarbonylContact O-C 3.57Å; K59-V147 WeakPolarHBondContact O-CA 3.43Å; K59-V147 WeakPolarHBondContact O-CG1 3.27Å; V65-V147 HydrophobicContact CG1-CG2 3.94Å; L66-V147 HydrophobicContact CD2-CG1 4.02Å; L66-V147 HydrophobicContact CD2-CG2 4.37Å; L143-V147 HydrophobicContact CD1-CB 4.36Å; L143-V147 HydrophobicContact CD1-CG1 3.91Å; L143-V147 WeakPolarHBondContact CD2-O 3.3Å; L143-V147 HydrophobicContact CG-CB 4.5Å; P144-V147 HydrophobicContact CB-CG2 4.02Å; P144-V147 HydrophobicContact CG-CG2 4.42Å; P144-V147 WeakPolarHBondContact O-CB 3.3Å; P144-V147 PolarHBondContact O-N 3.35Å; E145-V147 PolarHBondContact O-N 3.47Å
148	A	97.5	Very high	96.9	Very high	57 Å²	57	90.7 Å²	90.7	47%	0.471	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.5	174.7	0	0	0	0	0	110.2	V58 K59	V58-A148 WeakPolarHBondContact CA-O 3.34Å; K59-A148 HydrophobicContact CB-CB 4.49Å; K59-A148 PolarHBondContact N-O 3.16Å; K59-A148 PolarHBondContact O-N 3.38Å
149	M	98	Very high	96.7	Very high	43 Å²	43	92.1 Å²	92.1	21%	0.212	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.7	179	-172	166.7	67.4	0	0	111.1	I56 V58 I139 Q140 L143 V151	I56-M149 HydrophobicContact CG2-CG 3.53Å; I56-M149 HydrophobicContact CG2-SD 3.46Å; I56-M149 WeakPolarHBondContact CG2-SD 3.4Å; V58-M149 HydrophobicContact CG2-CG 4.19Å; V58-M149 HydrophobicContact CG2-SD 4.36Å; I139-M149 HydrophobicContact CG2-CE 4.18Å; I139-M149 HydrophobicContact CG2-SD 3.87Å; Q140-M149 HydrophobicContact CB-CE 4.27Å; Q140-M149 HydrophobicContact CG-CE 3.18Å; L143-M149 HydrophobicContact CD1-CB 4.13Å; L143-M149 HydrophobicContact CD1-SD 4.46Å; L143-M149 HydrophobicContact CD2-CB 3.92Å; M149-V151 HydrophobicContact CE-CG2 4.22Å; M149-V151 HydrophobicContact CG-CG2 4.16Å; M149-V151 HydrophobicContact SD-CG2 4.48Å
150	E	97.9	Very high	96.7	Very high	91 Å²	91	95.6 Å²	95.6	43%	0.425	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.2	173.5	177.4	179.1	-178.9	0	0	108.6	I56 T57 K59	I56-E150 WeakPolarHBondContact CA-O 3.2Å; T57-E150 PolarHBondContact N-O 3.11Å; T57-E150 PolarHBondContact O-N 3.05Å; K59-E150 WeakPolarHBondContact CE-OE2 3.23Å; K59-E150 IonicContact NZ-OE2 2.68Å; K59-E150 PolarHBondContact NZ-OE2 3.37Å
151	V	97.8	Very high	96.6	Very high	43 Å²	43	99.6 Å²	99.6	26%	0.261	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.5	-176.4	-176.9	0	0	0	0	109.2	L54 I56 L136 M149 K153	L54-V151 HydrophobicContact CD2-CG1 3.99Å; L54-V151 HydrophobicContact CG-CG1 4.48Å; I56-V151 HydrophobicContact CG2-CG2 4.42Å; L136-V151 HydrophobicContact CD1-CG1 3.99Å; L136-V151 HydrophobicContact CD2-CG1 3.96Å; L136-V151 HydrophobicContact CD2-CG2 4.01Å; M149-V151 HydrophobicContact CE-CG2 4.22Å; M149-V151 HydrophobicContact CG-CG2 4.16Å; M149-V151 HydrophobicContact SD-CG2 4.48Å; V151-K153 HydrophobicContact CG1-CG 4.12Å
152	S	97.8	Very high	96.4	Very high	47 Å²	47	99.3 Å²	99.3	33%	0.329	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	110	173.4	-67.7	0	0	0	0	109.6	V55	V55-S152 PolarHBondContact N-O 3.46Å; V55-S152 PolarHBondContact O-N 3.48Å
153	K	97.3	Very high	95.9	Very high	89 Å²	89	104.5 Å²	104.5	39%	0.387	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.3	178.1	-53.8	-169.1	-178.2	-168.8	0	109.8	Y51 D133 V151	Y51-K153 HydrophobicContact CD1-CB 4Å; Y51-K153 HydrophobicContact CE1-CB 3.7Å; Y51-K153 HydrophobicContact CE1-CD 4.08Å; Y51-K153 HydrophobicContact CE1-CG 4.45Å; Y51-K153 HydrophobicContact CE2-CD 4.27Å; Y51-K153 WeakPolarHBondContact OH-CD 3.45Å; D133-K153 IonicContact OD1-NZ 2.71Å; D133-K153 PolarHBondContact OD1-NZ 3.31Å; V151-K153 HydrophobicContact CG1-CG 4.12Å
154	H	97.5	Very high	95.8	Very high	77 Å²	77	107.1 Å²	107.1	36%	0.356	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	94.4	175.1	-65.8	-90.5	0	0	0	110.6	Y51 K52 K53	Y51-H154 CarbonylContact C-O 3.54Å; Y51-H154 VanDerWaalsContact CA-O 3.31Å; Y51-H154 WeakPolarHBondContact CA-O 3.47Å; K52-H154 PolarHBondContact N-O 3.01Å; K53-H154 WeakPolarHBondContact CE-CD2 3.36Å; K53-H154 WeakPolarHBondContact CE-NE2 3.44Å; K53-H154 HydrophobicContact CG-CB 3.76Å; K53-H154 VanDerWaalsContact CG-CD2 3.44Å; K53-H154 WeakPolarHBondContact CG-CD2 3.46Å; K53-H154 WeakPolarHBondContact O-CB 3.42Å; K53-H154 PolarHBondContact O-N 3.26Å
155	R	96.8	Very high	95.7	Very high	145 Å²	145	110.6 Å²	110.6	55%	0.547	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.4	140.3	-179.5	-171.4	173.3	177.6	172.1	3.3	111.5	V49 Y51 E157	V49-R155 HydrophobicContact CG1-CG 3.7Å; Y51-R155 HydrophobicContact CD1-CB 4.14Å; Y51-R155 HydrophobicContact CE1-CB 4.04Å; Y51-R155 HydrophobicContact CE1-CG 4.45Å; R155-E157 VanDerWaalsContact CD-OE1 3.25Å; R155-E157 WeakPolarHBondContact CD-OE1 3.37Å; R155-E157 HydrophobicContact CG-CG 3.99Å; R155-E157 IonicContact CZ-OE1 2.69Å; R155-E157 VanDerWaalsContact CZ-OE1 3.23Å; R155-E157 IonicContact NE-OE1 3.23Å; R155-E157 PolarHBondContact NE-OE1 3.34Å; R155-E157 IonicContact NH1-OE1 3.91Å; R155-E157 PolarHBondContact NH1-OE1 2.84Å; R155-E157 IonicContact NH2-OE1 3.05Å
156	L	96.1	Very high	95.7	Very high	89 Å²	89	106.2 Å²	106.2	47%	0.466	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.3	167.2	-71.1	171.1	0	0	0	108.4	L50 K52	L50-L156 HydrophobicContact CB-CB 4.15Å; L50-L156 HydrophobicContact CB-CD1 4.08Å; L50-L156 PolarHBondContact O-N 3.29Å; K52-L156 HydrophobicContact CB-CD1 4.27Å; K52-L156 HydrophobicContact CB-CD2 3.71Å; K52-L156 HydrophobicContact CB-CG 3.83Å; K52-L156 HydrophobicContact CD-CD2 4.22Å; K52-L156 HydrophobicContact CG-CD2 4.23Å
157	E	94.3	Very high	95.7	Very high	140 Å²	140	108.9 Å²	108.9	65%	0.654	53%	0.532	S	S	*	.			trans	-127	154.3	171.4	-62.5	-156.7	172.7	0	0	109.7	R155	R155-E157 VanDerWaalsContact CD-OE1 3.25Å; R155-E157 WeakPolarHBondContact CD-OE1 3.37Å; R155-E157 HydrophobicContact CG-CG 3.99Å; R155-E157 IonicContact CZ-OE1 2.69Å; R155-E157 VanDerWaalsContact CZ-OE1 3.23Å; R155-E157 IonicContact NE-OE1 3.23Å; R155-E157 PolarHBondContact NE-OE1 3.34Å; R155-E157 IonicContact NH1-OE1 3.91Å; R155-E157 PolarHBondContact NH1-OE1 2.84Å; R155-E157 IonicContact NH2-OE1 3.05Å
158	R	93	Very high	95.5	Very high	239 Å²	239	114.6 Å²	114.6	90%	0.902	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-76.7	155.7	171.9	-63.3	-179.6	-177.8	174	1.4	108.7
159	L	93.8	Very high	95.4	Very high	147 Å²	147	118.4 Å²	118.4	77%	0.77	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-59.2	136.9	168.7	-71.5	166.4	0	0	0	108.6
160	P	95.9	Very high	95.2	Very high	73 Å²	73	123.8 Å²	123.8	47%	0.474	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-62.9	146.3	174.9	27.8	-34.4	0	0	0	109.6	H162 L163	P160-H162 PolarHBondContact O-N 2.82Å; P160-L163 HydrophobicContact CG-CD1 3.7Å; P160-L163 HydrophobicContact CG-CG 3.98Å; P160-L163 PolarHBondContact O-N 3.19Å
161	E	94.9	Very high	95	Very high	190 Å²	190	126.3 Å²	126.3	89%	0.888	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-13.3	-174.7	-61.6	178.2	175.7	0	0	114.5
162	H	94.2	Very high	94.8	Very high	178 Å²	178	133.3 Å²	133.3	82%	0.824	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	2.4	-173.5	-54.5	87.6	0	0	0	114	P160	P160-H162 PolarHBondContact O-N 2.82Å
163	L	85.9	Confident	94.5	Very high	185 Å²	185	141.1 Å²	141.1	97%	0.969	66%	0.658	S	S	*	*			trans	-107.1	0	176.6	-65.9	178.4	0	0	0	110.4	P160	P160-L163 HydrophobicContact CG-CD1 3.7Å; P160-L163 HydrophobicContact CG-CG 3.98Å; P160-L163 PolarHBondContact O-N 3.19Å

Retrieved 163 of 163 residues in 42.1 ms (Link to these results)

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