G4LYM8_SCHMA Loading...

Ribonuclease P

AlphaFold DB , UniProt , Accession G4LYM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 166 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	29.5	Very low	250 Å²	250	161.4 Å²	161.4	100%	1.232	83%	0.829	S	S	*	*				0	111.5	0	-161.1	168.7	-174.9	0	0	107.4
2	K	25.2	Very low	29.3	Very low	201 Å²	201	157.3 Å²	157.3	87%	0.874	82%	0.821	S	S	*	*			trans	-78.9	140.9	179.3	-88.2	173.6	168.5	173.9	0	109.4
3	I	29.9	Very low	29.3	Very low	168 Å²	168	158.2 Å²	158.2	86%	0.862	83%	0.827	S	S	*	*			trans	-139.9	125.4	134.1	-58.8	-174.8	0	0	0	108.7
4	S	24.4	Very low	29.3	Very low	91 Å²	91	151.9 Å²	151.9	64%	0.636	82%	0.82	S	S	*	*			trans	-103.1	138.8	174	150.6	0	0	0	0	107.7
5	L	32.8	Very low	29.4	Very low	166 Å²	166	146.9 Å²	146.9	87%	0.869	80%	0.801	S	S	*	*			trans	-132.2	85.1	163.6	-79	159.1	0	0	0	104.7
6	R	30	Very low	29.8	Very low	217 Å²	217	143.4 Å²	143.4	82%	0.819	79%	0.785	S	S	*	*				55.8	115.6	92	-76.1	-164	-179	-167.6	0.6	113.5
7	D	29.3	Very low	30.4	Very low	150 Å²	150	143.8 Å²	143.8	80%	0.802	77%	0.772	S	S	*	*			trans	-39.2	143.4	162.5	-49.9	-69.2	0	0	0	113.1
8	N	28.9	Very low	30.6	Very low	145 Å²	145	142.9 Å²	142.9	78%	0.775	76%	0.763	S	S	*	*			trans	141.7	123.5	168.7	-80.9	-3.7	0	0	0	106.5
9	E	29.9	Very low	31.2	Very low	163 Å²	163	135.8 Å²	135.8	76%	0.762	73%	0.725	S	S	*	*			cis	-164.9	144.1	27.4	-93.5	149.7	-176	0	0	106.7	P11	E9-P11 WeakPolarHBondContact O-CD 3.41Å
10	C	26.6	Very low	31.5	Very low	125 Å²	125	131.4 Å²	131.4	85%	0.845	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-64.2	122.7	156.7	-85	0	0	0	0	107.6	P12	C10-P12 WeakPolarHBondContact O-CD 3.29Å
11	P	31.8	Very low	31.7	Very low	99 Å²	99	132.6 Å²	132.6	64%	0.643	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-70.7	125.6	170.3	27.4	-28.9	0	0	0	108.5	E9	E9-P11 WeakPolarHBondContact O-CD 3.41Å
12	P	27.3	Very low	32.1	Very low	113 Å²	113	123.3 Å²	123.3	73%	0.734	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-72.7	144.5	174.3	32.2	-31.7	0	0	0	109	C10	C10-P12 WeakPolarHBondContact O-CD 3.29Å
13	N	29.4	Very low	32.6	Very low	169 Å²	169	118.4 Å²	118.4	90%	0.904	65%	0.648	S	S	*	*	S	Bend	trans	31.8	103.1	160.5	-72.6	-14.7	0	0	0	117.7
14	G	29.2	Very low	32.7	Very low	70 Å²	70	115 Å²	115	72%	0.722	65%	0.645	S	S	*	*			trans	99.2	30.8	152	0	0	0	0	0	117.5	V16	G14-V16 PolarHBondContact O-N 2.71Å
15	S	30.9	Very low	33.1	Very low	77 Å²	77	120 Å²	120	54%	0.538	66%	0.658	S	S	.	*			trans	-65.2	100.1	165.6	59.8	0	0	0	0	109.5	W17	S15-W17 PolarHBondContact O-N 3.32Å; S15-W17 VanDerWaalsContact O-N 3.11Å
16	V	35.1	Very low	33	Very low	90 Å²	90	119 Å²	119	55%	0.545	65%	0.653	S	S	.	*			trans	-56.2	112.2	169.4	176.6	0	0	0	0	107.5	G14 E18	G14-V16 PolarHBondContact O-N 2.71Å; V16-E18 PolarHBondContact O-N 2.97Å
17	W	40.5	Very low	32.9	Very low	150 Å²	150	113.7 Å²	113.7	57%	0.568	66%	0.656	S	S	*	*			trans	-64.8	108	169	-59.5	93.9	0	0	0	107.2	S15 V19	S15-W17 PolarHBondContact O-N 3.32Å; S15-W17 VanDerWaalsContact O-N 3.11Å; W17-V19 HydrophobicContact CB-CG2 4.44Å; W17-V19 PolarHBondContact O-N 2.82Å
18	E	33.6	Very low	33.1	Very low	129 Å²	129	112.5 Å²	112.5	60%	0.603	65%	0.654	S	S	*	*			trans	-66.4	99	167.9	-101.1	-168.3	147.3	0	0	107.8	V16 T20	V16-E18 PolarHBondContact O-N 2.97Å; E18-T20 PolarHBondContact O-N 3.5Å
19	V	41.8	Very low	33.4	Very low	8 Å²	8	113.5 Å²	113.5	5%	0.048	66%	0.658	C	S	.	*	B	Isolated β-bridge	trans	-81.5	60.9	174.7	178.7	0	0	0	0	107.7	W17 L22 L23 I90 C123	W17-V19 HydrophobicContact CB-CG2 4.44Å; W17-V19 PolarHBondContact O-N 2.82Å; V19-L22 HydrophobicContact CG1-CB 4.13Å; V19-L22 HydrophobicContact CG2-CD1 4.46Å; V19-L23 HydrophobicContact CG1-CD1 3.8Å; V19-L23 HydrophobicContact CG1-CG 3.97Å; V19-I90 HydrophobicContact CG1-CD1 4.1Å; V19-I90 HydrophobicContact CG2-CD1 3.99Å; V19-C123 VanDerWaalsContact CB-SG 3.5Å; V19-C123 WeakPolarHBondContact CG2-SG 3.42Å
20	T	38	Very low	33.9	Very low	46 Å²	46	107.4 Å²	107.4	28%	0.282	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.7	-27.7	174.5	41.6	0	0	0	0	110.6	E18 L22 K126	E18-T20 PolarHBondContact O-N 3.5Å; T20-L22 VanDerWaalsContact C-N 3.34Å; T20-K126 HydrophobicContact CG2-CB 4.09Å; T20-K126 HydrophobicContact CG2-CD 3.41Å; T20-K126 VanDerWaalsContact CG2-CD 3.41Å; T20-K126 HydrophobicContact CG2-CG 3.71Å
21	D	36	Very low	35.3	Very low	157 Å²	157	107.4 Å²	107.4	84%	0.84	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-2.1	174.7	-63	-15.5	0	0	0	113.6
22	L	44	Very low	36.7	Very low	56 Å²	56	106.7 Å²	106.7	29%	0.293	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.3	-0.2	-177.2	-71.5	166.5	0	0	0	113.7	V19 T20 F46	V19-L22 HydrophobicContact CG1-CB 4.13Å; V19-L22 HydrophobicContact CG2-CD1 4.46Å; T20-L22 VanDerWaalsContact C-N 3.34Å; L22-F46 HydrophobicContact CD1-CD2 4.45Å; L22-F46 HydrophobicContact CD1-CE1 3.82Å; L22-F46 HydrophobicContact CD1-CE2 3.7Å; L22-F46 HydrophobicContact CD1-CZ 3.34Å; L22-F46 HydrophobicContact CD2-CD2 4.26Å; L22-F46 HydrophobicContact CD2-CE2 3.92Å; L22-F46 HydrophobicContact CD2-CZ 4.43Å; L22-F46 HydrophobicContact CG-CE2 4.48Å
23	L	35.5	Very low	38.6	Very low	98 Å²	98	101.6 Å²	101.6	51%	0.513	59%	0.587	S	S	.	*	S	Bend	trans	-130.2	110.5	-177	-66.5	174.8	0	0	0	109.7	V19 T125	V19-L23 HydrophobicContact CG1-CD1 3.8Å; V19-L23 HydrophobicContact CG1-CG 3.97Å; L23-T125 HydrophobicContact CD1-CG2 4.36Å
24	A	31.7	Very low	40.9	Very low	97 Å²	97	96.3 Å²	96.3	80%	0.802	56%	0.563	S	S	*	*			trans	97	80.8	168.9	0	0	0	0	0	116.4
25	E	32	Very low	43.3	Very low	195 Å²	195	95.6 Å²	95.6	91%	0.911	54%	0.542	S	S	*	.	S	Bend		-112.1	148.8	123	-80.9	-165.6	172.7	0	0	108.4
26	D	31.2	Very low	45.7	Very low	144 Å²	144	96.8 Å²	96.8	77%	0.77	54%	0.535	S	S	*	.			trans	-62.5	151.3	-157.3	-67.1	-62.9	0	0	0	116.6	V28	D26-V28 VanDerWaalsContact C-N 3.34Å; D26-V28 PolarHBondContact O-N 2.84Å
27	A	29.3	Very low	48	Very low	107 Å²	107	96 Å²	96	88%	0.884	53%	0.53	S	S	*	.			trans	21.6	59.5	140.1	0	0	0	0	0	118.7
28	V	33.2	Very low	49.8	Very low	125 Å²	125	89.6 Å²	89.6	76%	0.758	51%	0.509	S	S	*	.			trans	-122.7	124.2	148	-176.6	0	0	0	0	105.4	D26 G30	D26-V28 VanDerWaalsContact C-N 3.34Å; D26-V28 PolarHBondContact O-N 2.84Å; V28-G30 PolarHBondContact O-N 3.39Å
29	I	35	Very low	52	Low	166 Å²	166	89.8 Å²	89.8	85%	0.851	52%	0.524	S	S	*	.			trans	-66.9	76.2	167.5	-60	172.2	0	0	0	106	E31	I29-E31 PolarHBondContact O-N 3.47Å
30	G	41	Very low	53.8	Low	34 Å²	34	93.9 Å²	93.9	35%	0.351	55%	0.553	S	S	.	*			trans	-76.5	109.3	169.1	0	0	0	0	0	106.7	V28 T32 S51	V28-G30 PolarHBondContact O-N 3.39Å; G30-T32 PolarHBondContact O-N 2.86Å; G30-S51 PolarHBondContact O-OG 3.11Å
31	E	55.1	Low	55.8	Low	126 Å²	126	94.3 Å²	94.3	59%	0.589	57%	0.567	S	S	*	*			trans	-61.4	-11	169.8	-61.6	-173.3	165.6	0	0	112.2	I29	I29-E31 PolarHBondContact O-N 3.47Å
32	T	61.2	Low	58	Low	84 Å²	84	87.7 Å²	87.7	52%	0.515	53%	0.533	S	S	.	.	S	Bend	trans	-78.7	129.9	179.1	-44.8	0	0	0	0	111.6	G30 Y59	G30-T32 PolarHBondContact O-N 2.86Å; T32-Y59 HydrophobicContact CG2-CD2 4.02Å; T32-Y59 HydrophobicContact CG2-CE2 3.64Å
33	P	66.1	Low	60.1	Low	6 Å²	6	88.8 Å²	88.8	4%	0.039	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-55	152.1	169.1	-25.4	34.3	0	0	0	112.9	I45 Q56 Y59	P33-I45 HydrophobicContact CB-CG2 3.42Å; P33-I45 VanDerWaalsContact CB-CG2 3.42Å; P33-I45 HydrophobicContact CG-CG2 4.05Å; P33-Q56 HydrophobicContact CG-CG 4.21Å; P33-Y59 HydrophobicContact CG-CD1 3.76Å; P33-Y59 HydrophobicContact CG-CE1 4.41Å; P33-Y59 HydrophobicContact CG-CG 4.03Å
34	C	78.5	Confident	62.9	Low	58 Å²	58	85.2 Å²	85.2	39%	0.392	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.1	168.8	176.9	0	0	0	0	109.4	F46	C34-F46 HydrophobicContact CB-CB 4.19Å; C34-F46 PolarHBondContact O-N 2.77Å
35	I	79.3	Confident	65.8	Low	55 Å²	55	80.6 Å²	80.6	28%	0.282	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.4	-171.4	-57.4	165.2	0	0	0	110	R43 H44 Y59	I35-R43 HydrophobicContact CG2-CG 3.85Å; I35-H44 CarbonylContact C-O 3.58Å; I35-H44 WeakPolarHBondContact CA-O 3.48Å; I35-Y59 HydrophobicContact CD1-CE1 3.73Å; I35-Y59 HydrophobicContact CD1-CE2 4.49Å; I35-Y59 VanDerWaalsContact CD1-CZ 3.45Å; I35-Y59 WeakPolarHBondContact CD1-OH 3.44Å
36	Y	80.7	Confident	68.7	Low	102 Å²	102	73.2 Å²	73.2	40%	0.4	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.1	172	171.5	-104	0	0	0	109.2	H44	Y36-H44 HydrophobicContact CD1-CB 4.06Å; Y36-H44 AromaticContact CD1-CD2 3.75Å; Y36-H44 PolarHBondContact N-O 2.77Å; Y36-H44 WeakPolarHBondContact O-CB 3.37Å; Y36-H44 PolarHBondContact O-N 2.82Å
37	T	84.1	Confident	71.7	Confident	73 Å²	73	66.7 Å²	66.7	45%	0.448	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.8	170.2	-55.8	0	0	0	0	107.2	S42	T37-S42 WeakPolarHBondContact CA-O 3.05Å
38	S	79	Confident	74.5	Confident	16 Å²	16	63.1 Å²	63.1	11%	0.112	37%	0.374	C	S	.	.			trans	-70.3	167	-179.5	57	0	0	0	0	111.5	S40 G41 S42 H44	S38-S40 PolarHBondContact O-N 2.82Å; S38-S40 PolarHBondContact OG-OG 2.77Å; S38-G41 WeakPolarHBondContact O-CA 3.07Å; S38-G41 PolarHBondContact O-N 2.92Å; S38-S42 PolarHBondContact N-O 2.88Å; S38-S42 WeakPolarHBondContact OG-CB 3.2Å; S38-S42 PolarHBondContact OG-N 2.87Å; S38-S42 PolarHBondContact OG-O 2.98Å; S38-H44 PolarHBondContact OG-NE2 2.88Å
39	S	80	Confident	77.2	Confident	133 Å²	133	60.2 Å²	60.2	93%	0.93	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.1	175	52	0	0	0	0	113.1	G41	S39-G41 PolarHBondContact O-N 2.78Å
40	S	78.4	Confident	79.7	Confident	93 Å²	93	61.6 Å²	61.6	65%	0.65	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.5	172.1	61.8	0	0	0	0	113.9	S38 S42	S38-S40 PolarHBondContact O-N 2.82Å; S38-S40 PolarHBondContact OG-OG 2.77Å; S40-S42 VanDerWaalsContact C-N 3.32Å; S40-S42 PolarHBondContact OG-OG 2.86Å; S40-S42 VanDerWaalsContact OG-OG 3.09Å
41	G	80	Confident	81.8	Confident	55 Å²	55	60.7 Å²	60.7	57%	0.567	34%	0.344	S	S	*	.			trans	83.2	2.6	-175.5	0	0	0	0	0	114.4	S38 S39	S38-G41 WeakPolarHBondContact O-CA 3.07Å; S38-G41 PolarHBondContact O-N 2.92Å; S39-G41 PolarHBondContact O-N 2.78Å
42	S	83	Confident	83.4	Confident	18 Å²	18	56.5 Å²	56.5	13%	0.126	34%	0.335	C	S	.	.			trans	-72.4	135.5	179	-50	0	0	0	0	110	T37 S38 S40 H44	T37-S42 WeakPolarHBondContact CA-O 3.05Å; S38-S42 PolarHBondContact N-O 2.88Å; S38-S42 WeakPolarHBondContact OG-CB 3.2Å; S38-S42 PolarHBondContact OG-N 2.87Å; S38-S42 PolarHBondContact OG-O 2.98Å; S40-S42 VanDerWaalsContact C-N 3.32Å; S40-S42 PolarHBondContact OG-OG 2.86Å; S40-S42 VanDerWaalsContact OG-OG 3.09Å; S42-H44 PolarHBondContact O-CD2 2.83Å
43	R	88.8	Confident	84.8	Confident	80 Å²	80	54.2 Å²	54.2	30%	0.302	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.1	178.4	-175.6	172.5	-70.2	-115.1	-9.1	110.5	I35 I45 F85 W86	I35-R43 HydrophobicContact CG2-CG 3.85Å; R43-I45 HydrophobicContact CG-CG1 4.1Å; R43-F85 HydrophobicContact CB-CB 4.22Å; R43-F85 CarbonylContact O-C 3.59Å; R43-F85 WeakPolarHBondContact O-CA 3.45Å; R43-W86 PolarHBondContact O-N 2.69Å
44	H	93.3	Very high	86	Confident	22 Å²	22	58.3 Å²	58.3	10%	0.102	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.5	178.9	-64.2	-93.9	0	0	0	109.1	I35 Y36 S38 S42 F46 W86 H88	I35-H44 CarbonylContact C-O 3.58Å; I35-H44 WeakPolarHBondContact CA-O 3.48Å; Y36-H44 HydrophobicContact CD1-CB 4.06Å; Y36-H44 AromaticContact CD1-CD2 3.75Å; Y36-H44 PolarHBondContact N-O 2.77Å; Y36-H44 WeakPolarHBondContact O-CB 3.37Å; Y36-H44 PolarHBondContact O-N 2.82Å; S38-H44 PolarHBondContact OG-NE2 2.88Å; S42-H44 PolarHBondContact O-CD2 2.83Å; H44-F46 HydrophobicContact CB-CE2 4.39Å; H44-W86 AromaticContact CE1-CD1 3.65Å; H44-W86 AromaticContact CE1-CG 3.8Å; H44-W86 AromaticContact ND1-CD1 4Å; H44-W86 AromaticContact ND1-CG 3.79Å; H44-H88 AromaticContact CG-NE2 3.57Å; H44-H88 AromaticContact ND1-CE1 3.64Å; H44-H88 AromaticContact ND1-NE2 2.89Å; H44-H88 PolarHBondContact ND1-NE2 3.02Å
45	I	93	Very high	86.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.6	-175.4	-53.4	176.9	0	0	0	108.8	P33 R43 I47 I60 F85 W86 I87 H88	P33-I45 HydrophobicContact CB-CG2 3.42Å; P33-I45 VanDerWaalsContact CB-CG2 3.42Å; P33-I45 HydrophobicContact CG-CG2 4.05Å; R43-I45 HydrophobicContact CG-CG1 4.1Å; I45-I47 HydrophobicContact CG2-CD1 4.44Å; I45-I60 HydrophobicContact CD1-CG1 4.12Å; I45-I60 HydrophobicContact CG2-CD1 4.34Å; I45-I60 HydrophobicContact CG2-CG1 4.44Å; I45-F85 HydrophobicContact CD1-CD2 4.11Å; I45-F85 HydrophobicContact CD1-CE2 4.46Å; I45-W86 PolarHBondContact N-O 2.81Å; I45-I87 HydrophobicContact CB-CG2 4.18Å; I45-I87 CarbonylContact O-C 3.55Å; I45-I87 VanDerWaalsContact O-CA 3.24Å; I45-I87 WeakPolarHBondContact O-CA 3.24Å; I45-H88 PolarHBondContact O-N 3.04Å
46	F	93.3	Very high	87.1	Confident	41 Å²	41	54.9 Å²	54.9	18%	0.18	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.1	-179.9	-66	-93.2	0	0	0	110.7	L22 C34 H44 S48 H88 I90	L22-F46 HydrophobicContact CD1-CD2 4.45Å; L22-F46 HydrophobicContact CD1-CE1 3.82Å; L22-F46 HydrophobicContact CD1-CE2 3.7Å; L22-F46 HydrophobicContact CD1-CZ 3.34Å; L22-F46 HydrophobicContact CD2-CD2 4.26Å; L22-F46 HydrophobicContact CD2-CE2 3.92Å; L22-F46 HydrophobicContact CD2-CZ 4.43Å; L22-F46 HydrophobicContact CG-CE2 4.48Å; C34-F46 HydrophobicContact CB-CB 4.19Å; C34-F46 PolarHBondContact O-N 2.77Å; H44-F46 HydrophobicContact CB-CE2 4.39Å; F46-S48 PolarHBondContact O-N 2.85Å; F46-H88 HydrophobicContact CD1-CB 3.63Å; F46-H88 HydrophobicContact CE1-CB 3.76Å; F46-H88 AromaticContact CE1-CD2 3.98Å; F46-H88 HydrophobicContact CG-CB 4.31Å; F46-H88 AromaticContact CZ-CD2 3.88Å; F46-I90 HydrophobicContact CD1-CD1 4Å; F46-I90 HydrophobicContact CE1-CD1 3.95Å
47	I	93.4	Very high	87.7	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-79.6	117	-175.9	-57.1	-50.9	0	0	0	110	I45 I60 I87 H88 S94 R97 T98 L101	I45-I47 HydrophobicContact CG2-CD1 4.44Å; I47-I60 HydrophobicContact CD1-CD1 3.78Å; I47-I87 HydrophobicContact CD1-CB 4.26Å; I47-I87 HydrophobicContact CG1-CB 4.36Å; I47-H88 PolarHBondContact N-O 3.4Å; I47-S94 PolarHBondContact O-OG 3.07Å; I47-R97 HydrophobicContact CG2-CB 4.11Å; I47-R97 HydrophobicContact CG2-CG 3.7Å; I47-T98 WeakPolarHBondContact CB-OG1 3.41Å; I47-T98 HydrophobicContact CG1-CG2 4.11Å; I47-T98 WeakPolarHBondContact CG1-OG1 2.86Å; I47-L101 HydrophobicContact CD1-CD1 4.14Å
48	S	89.2	Confident	88	Confident	32 Å²	32	51.5 Å²	51.5	22%	0.224	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-81.8	137.1	-179.5	175.9	0	0	0	0	110.8	F46 K50 S51 Q56 R97	F46-S48 PolarHBondContact O-N 2.85Å; S48-K50 VanDerWaalsContact C-N 3.3Å; S48-K50 PolarHBondContact OG-N 3.43Å; S48-S51 WeakPolarHBondContact CB-OG 3.43Å; S48-S51 PolarHBondContact OG-N 3.13Å; S48-S51 VanDerWaalsContact OG-N 3.16Å; S48-S51 PolarHBondContact OG-OG 3.17Å; S48-Q56 PolarHBondContact O-NE2 2.99Å; S48-Q56 PolarHBondContact O-OE1 2.87Å; S48-R97 VanDerWaalsContact O-CD 3.3Å; S48-R97 WeakPolarHBondContact O-CD 3.25Å; S48-R97 PolarHBondContact O-NH1 2.89Å
49	T	89.4	Confident	88.5	Confident	64 Å²	64	53.7 Å²	53.7	39%	0.393	31%	0.311	S	S	.	.	S	Bend	trans	-81.9	-13.3	168	57.2	0	0	0	0	112.4	L93 R97	T49-L93 HydrophobicContact CG2-CB 3.64Å; T49-R97 VanDerWaalsContact CA-NH1 3.28Å; T49-R97 PolarHBondContact O-NH1 3.3Å; T49-R97 VanDerWaalsContact O-NH1 3.08Å
50	K	88.2	Confident	89.1	Confident	196 Å²	196	47.4 Å²	47.4	85%	0.852	27%	0.267	S	S	*	.	S	Bend	trans	-90.8	-31.8	-178.1	-60.9	-177.5	178.9	179.7	0	112.8	S48	S48-K50 VanDerWaalsContact C-N 3.3Å; S48-K50 PolarHBondContact OG-N 3.43Å
51	S	83.8	Confident	89.7	Confident	14 Å²	14	43.4 Å²	43.4	10%	0.098	24%	0.239	C	C	.	.	S	Bend	trans	-81.3	151.1	-179.2	-44	0	0	0	0	111	G30 S48 Q56 R97	G30-S51 PolarHBondContact O-OG 3.11Å; S48-S51 WeakPolarHBondContact CB-OG 3.43Å; S48-S51 PolarHBondContact OG-N 3.13Å; S48-S51 VanDerWaalsContact OG-N 3.16Å; S48-S51 PolarHBondContact OG-OG 3.17Å; S51-Q56 PolarHBondContact O-NE2 2.94Å; S51-R97 PolarHBondContact O-NH1 3.34Å
52	G	88.3	Confident	90.2	Very high	38 Å²	38	48.5 Å²	48.5	39%	0.392	24%	0.241	S	C	.	.			trans	-57.3	138.9	177.1	0	0	0	0	0	112.1	S55 Q56	G52-S55 PolarHBondContact O-N 2.98Å; G52-Q56 WeakPolarHBondContact O-CG 3.48Å; G52-Q56 PolarHBondContact O-N 2.8Å
53	F	91.4	Very high	90.6	Very high	37 Å²	37	48.8 Å²	48.8	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-49.8	-178.3	176.4	-111	0	0	0	111.6	S55 Q56 V57 R97 E100 L101 H104	F53-S55 VanDerWaalsContact C-N 3.33Å; F53-S55 PolarHBondContact O-N 3.06Å; F53-Q56 PolarHBondContact O-N 2.93Å; F53-V57 HydrophobicContact CD1-CG2 4.39Å; F53-V57 HydrophobicContact CE1-CG2 4Å; F53-V57 HydrophobicContact CE2-CG2 4.27Å; F53-V57 HydrophobicContact CZ-CG2 3.92Å; F53-V57 WeakPolarHBondContact O-CG2 3.49Å; F53-V57 PolarHBondContact O-N 3.17Å; F53-R97 HydrophobicContact CD2-CG 3.89Å; F53-R97 HydrophobicContact CE2-CG 4.33Å; F53-E100 HydrophobicContact CE1-CG 4.49Å; F53-E100 HydrophobicContact CE2-CB 4.22Å; F53-E100 HydrophobicContact CE2-CG 4.05Å; F53-E100 HydrophobicContact CZ-CB 4.33Å; F53-E100 HydrophobicContact CZ-CG 3.73Å; F53-L101 HydrophobicContact CE2-CB 3.86Å; F53-L101 HydrophobicContact CE2-CD1 4.41Å; F53-L101 HydrophobicContact CE2-CG 4.44Å; F53-L101 HydrophobicContact CZ-CB 4.44Å; F53-H104 HydrophobicContact CZ-CB 4.36Å
54	M	91.7	Very high	90.7	Very high	92 Å²	92	45 Å²	45	45%	0.453	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-34.4	178.1	-72.9	-66.9	101.9	0	0	113.2	Q56 V57 L58	M54-Q56 VanDerWaalsContact C-N 3.31Å; M54-Q56 PolarHBondContact O-N 2.84Å; M54-V57 HydrophobicContact CE-CB 4.19Å; M54-V57 HydrophobicContact CE-CG1 4.5Å; M54-V57 HydrophobicContact CE-CG2 3.79Å; M54-V57 PolarHBondContact O-N 2.77Å; M54-L58 WeakPolarHBondContact O-CB 3.49Å; M54-L58 VanDerWaalsContact O-CG 3.31Å; M54-L58 WeakPolarHBondContact O-CG 3.29Å; M54-L58 PolarHBondContact O-N 3.39Å
55	S	89.2	Confident	90.4	Very high	41 Å²	41	47.9 Å²	47.9	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-41.4	174.8	-50.1	0	0	0	0	111.5	G52 F53 Y59	G52-S55 PolarHBondContact O-N 2.98Å; F53-S55 VanDerWaalsContact C-N 3.33Å; F53-S55 PolarHBondContact O-N 3.06Å; S55-Y59 WeakPolarHBondContact O-CB 3.47Å; S55-Y59 PolarHBondContact O-N 3.45Å
56	Q	92.2	Very high	90.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.4	-39.5	176	-65.1	-178.6	84.3	0	0	112.1	P33 S48 S51 G52 F53 M54 Y59 I60 L101	P33-Q56 HydrophobicContact CG-CG 4.21Å; S48-Q56 PolarHBondContact O-NE2 2.99Å; S48-Q56 PolarHBondContact O-OE1 2.87Å; S51-Q56 PolarHBondContact O-NE2 2.94Å; G52-Q56 WeakPolarHBondContact O-CG 3.48Å; G52-Q56 PolarHBondContact O-N 2.8Å; F53-Q56 PolarHBondContact O-N 2.93Å; M54-Q56 VanDerWaalsContact C-N 3.31Å; M54-Q56 PolarHBondContact O-N 2.84Å; Q56-Y59 PolarHBondContact O-N 2.69Å; Q56-I60 WeakPolarHBondContact O-CG1 3.34Å; Q56-I60 PolarHBondContact O-N 2.85Å; Q56-L101 HydrophobicContact CB-CD1 3.93Å
57	V	92.7	Very high	89.8	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-58	-53.4	172.5	170.1	0	0	0	0	110.2	F53 M54 Y59 I60 S61 L101 L109	F53-V57 HydrophobicContact CD1-CG2 4.39Å; F53-V57 HydrophobicContact CE1-CG2 4Å; F53-V57 HydrophobicContact CE2-CG2 4.27Å; F53-V57 HydrophobicContact CZ-CG2 3.92Å; F53-V57 WeakPolarHBondContact O-CG2 3.49Å; F53-V57 PolarHBondContact O-N 3.17Å; M54-V57 HydrophobicContact CE-CB 4.19Å; M54-V57 HydrophobicContact CE-CG1 4.5Å; M54-V57 HydrophobicContact CE-CG2 3.79Å; M54-V57 PolarHBondContact O-N 2.77Å; V57-Y59 VanDerWaalsContact C-N 3.3Å; V57-Y59 PolarHBondContact O-N 3Å; V57-I60 PolarHBondContact O-N 2.93Å; V57-I60 VanDerWaalsContact O-N 3.15Å; V57-S61 WeakPolarHBondContact O-CB 3.17Å; V57-S61 PolarHBondContact O-N 2.78Å; V57-S61 PolarHBondContact O-OG 3.18Å; V57-L101 HydrophobicContact CG2-CD1 4.01Å; V57-L101 HydrophobicContact CG2-CG 4.05Å; V57-L109 HydrophobicContact CG1-CD1 3.57Å
58	L	90.1	Very high	89.2	Confident	101 Å²	101	55.5 Å²	55.5	53%	0.529	27%	0.272	S	S	.	.	H	α-helix	trans	-59.4	-39.9	179.7	-71.5	172.4	0	0	0	112.6	M54 R62	M54-L58 WeakPolarHBondContact O-CB 3.49Å; M54-L58 VanDerWaalsContact O-CG 3.31Å; M54-L58 WeakPolarHBondContact O-CG 3.29Å; M54-L58 PolarHBondContact O-N 3.39Å; L58-R62 WeakPolarHBondContact O-CG 3.22Å; L58-R62 PolarHBondContact O-N 2.85Å
59	Y	90.3	Very high	88.9	Confident	62 Å²	62	61.8 Å²	61.8	24%	0.243	29%	0.292	C	S	.	.	H	α-helix	trans	-58.7	-50.5	175.5	-177.7	-87.2	0	0	0	111.3	T32 P33 I35 S55 Q56 V57 R62 H63	T32-Y59 HydrophobicContact CG2-CD2 4.02Å; T32-Y59 HydrophobicContact CG2-CE2 3.64Å; P33-Y59 HydrophobicContact CG-CD1 3.76Å; P33-Y59 HydrophobicContact CG-CE1 4.41Å; P33-Y59 HydrophobicContact CG-CG 4.03Å; I35-Y59 HydrophobicContact CD1-CE1 3.73Å; I35-Y59 HydrophobicContact CD1-CE2 4.49Å; I35-Y59 VanDerWaalsContact CD1-CZ 3.45Å; I35-Y59 WeakPolarHBondContact CD1-OH 3.44Å; S55-Y59 WeakPolarHBondContact O-CB 3.47Å; S55-Y59 PolarHBondContact O-N 3.45Å; Q56-Y59 PolarHBondContact O-N 2.69Å; V57-Y59 VanDerWaalsContact C-N 3.3Å; V57-Y59 PolarHBondContact O-N 3Å; Y59-R62 PolarHBondContact O-N 3.11Å; Y59-H63 PolarHBondContact O-N 2.68Å
60	I	92.6	Very high	88.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-71.5	-38.2	-176.8	-63.5	166.1	0	0	0	110.6	I45 I47 Q56 V57 R62 H63 V64 F85 I87 L101 L105	I45-I60 HydrophobicContact CD1-CG1 4.12Å; I45-I60 HydrophobicContact CG2-CD1 4.34Å; I45-I60 HydrophobicContact CG2-CG1 4.44Å; I47-I60 HydrophobicContact CD1-CD1 3.78Å; Q56-I60 WeakPolarHBondContact O-CG1 3.34Å; Q56-I60 PolarHBondContact O-N 2.85Å; V57-I60 PolarHBondContact O-N 2.93Å; V57-I60 VanDerWaalsContact O-N 3.15Å; I60-R62 PolarHBondContact O-N 3.08Å; I60-H63 WeakPolarHBondContact O-CA 3.42Å; I60-H63 VanDerWaalsContact O-CB 3.28Å; I60-H63 WeakPolarHBondContact O-CB 3.16Å; I60-H63 PolarHBondContact O-N 2.86Å; I60-V64 HydrophobicContact CG2-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CG2 3.4Å; I60-V64 PolarHBondContact O-N 3.44Å; I60-F85 HydrophobicContact CG2-CE2 3.73Å; I60-F85 HydrophobicContact CG2-CZ 3.95Å; I60-I87 HydrophobicContact CD1-CG2 4.16Å; I60-L101 HydrophobicContact CD1-CD1 3.84Å; I60-L101 HydrophobicContact CD1-CD2 3.47Å; I60-L101 VanDerWaalsContact CD1-CD2 3.47Å; I60-L101 HydrophobicContact CD1-CG 4.3Å; I60-L105 HydrophobicContact CB-CD1 4.45Å; I60-L105 HydrophobicContact CG2-CD1 3.59Å; I60-L105 HydrophobicContact CG2-CD2 4.25Å
61	S	90.8	Very high	87.6	Confident	9 Å²	9	56.7 Å²	56.7	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-47.1	174.4	-61.8	0	0	0	0	112	V57 H63 V64 D65 L109 Y110	V57-S61 WeakPolarHBondContact O-CB 3.17Å; V57-S61 PolarHBondContact O-N 2.78Å; V57-S61 PolarHBondContact O-OG 3.18Å; S61-H63 PolarHBondContact O-N 2.81Å; S61-H63 VanDerWaalsContact O-N 3.14Å; S61-V64 CarbonylContact O-C 3.57Å; S61-V64 WeakPolarHBondContact O-CA 3.31Å; S61-V64 WeakPolarHBondContact O-CB 3.13Å; S61-V64 PolarHBondContact O-N 3.02Å; S61-D65 VanDerWaalsContact O-CG 3.26Å; S61-D65 PolarHBondContact O-N 3.42Å; S61-L109 WeakPolarHBondContact OG-CD1 3.08Å; S61-Y110 VanDerWaalsContact C-OH 3.3Å; S61-Y110 VanDerWaalsContact CA-OH 3.22Å; S61-Y110 WeakPolarHBondContact CA-OH 3.42Å; S61-Y110 VanDerWaalsContact CB-OH 3.25Å; S61-Y110 WeakPolarHBondContact CB-OH 3.18Å; S61-Y110 PolarHBondContact O-OH 3.38Å
62	R	90.1	Very high	87.1	Confident	162 Å²	162	59.5 Å²	59.5	61%	0.611	28%	0.276	S	S	*	.	H	α-helix	trans	-58.5	-31.8	174.2	-73	173.6	178.3	166.8	0.6	112.9	L58 Y59 I60 R66	L58-R62 WeakPolarHBondContact O-CG 3.22Å; L58-R62 PolarHBondContact O-N 2.85Å; Y59-R62 PolarHBondContact O-N 3.11Å; I60-R62 PolarHBondContact O-N 3.08Å; R62-R66 VanDerWaalsContact O-CG 3.29Å; R62-R66 WeakPolarHBondContact O-CG 3.45Å; R62-R66 PolarHBondContact O-N 3.34Å
63	H	89.9	Confident	86.4	Confident	25 Å²	25	61 Å²	61	12%	0.116	28%	0.281	C	S	.	.	H	α-helix	trans	-69.5	-47.4	173.5	-178.2	56.1	0	0	0	111.3	Y59 I60 S61 D65 R66 L67 F85	Y59-H63 PolarHBondContact O-N 2.68Å; I60-H63 WeakPolarHBondContact O-CA 3.42Å; I60-H63 VanDerWaalsContact O-CB 3.28Å; I60-H63 WeakPolarHBondContact O-CB 3.16Å; I60-H63 PolarHBondContact O-N 2.86Å; S61-H63 PolarHBondContact O-N 2.81Å; S61-H63 VanDerWaalsContact O-N 3.14Å; H63-D65 PolarHBondContact O-N 3.4Å; H63-R66 PolarHBondContact O-N 2.81Å; H63-L67 WeakPolarHBondContact O-CG 3.39Å; H63-L67 PolarHBondContact O-N 3.31Å; H63-F85 AromaticContact CD2-CG 3.99Å
64	V	91.2	Very high	85.3	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.1	-46.1	175.5	176.6	0	0	0	0	111	I60 S61 R66 L67 L68 F85 Y110 L114	I60-V64 HydrophobicContact CG2-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CG2 3.4Å; I60-V64 PolarHBondContact O-N 3.44Å; S61-V64 CarbonylContact O-C 3.57Å; S61-V64 WeakPolarHBondContact O-CA 3.31Å; S61-V64 WeakPolarHBondContact O-CB 3.13Å; S61-V64 PolarHBondContact O-N 3.02Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.31Å; V64-L67 CarbonylContact O-C 3.58Å; V64-L67 WeakPolarHBondContact O-CB 3.47Å; V64-L67 PolarHBondContact O-N 2.95Å; V64-L68 HydrophobicContact CG1-CD1 3.84Å; V64-L68 HydrophobicContact CG1-CG 4.23Å; V64-L68 WeakPolarHBondContact O-CG 3.31Å; V64-L68 PolarHBondContact O-N 3.46Å; V64-F85 HydrophobicContact CG2-CE1 3.81Å; V64-F85 HydrophobicContact CG2-CZ 3.65Å; V64-Y110 HydrophobicContact CB-CD2 4.44Å; V64-Y110 HydrophobicContact CB-CE1 4.22Å; V64-Y110 HydrophobicContact CB-CE2 3.85Å; V64-Y110 HydrophobicContact CG1-CD1 3.76Å; V64-Y110 HydrophobicContact CG1-CD2 3.94Å; V64-Y110 HydrophobicContact CG1-CE1 3.56Å; V64-Y110 HydrophobicContact CG1-CE2 3.76Å; V64-Y110 HydrophobicContact CG1-CG 3.95Å; V64-Y110 HydrophobicContact CG2-CE2 4.24Å; V64-L114 HydrophobicContact CG1-CD2 4.07Å
65	D	88.6	Confident	83.8	Confident	82 Å²	82	63.3 Å²	63.3	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-57.5	-42.4	177.8	-65.3	-23.5	0	0	0	111.8	S61 H63 L68 Y69 Y110	S61-D65 VanDerWaalsContact O-CG 3.26Å; S61-D65 PolarHBondContact O-N 3.42Å; H63-D65 PolarHBondContact O-N 3.4Å; D65-L68 PolarHBondContact O-N 3.49Å; D65-Y69 VanDerWaalsContact O-CB 3.3Å; D65-Y69 WeakPolarHBondContact O-CB 3.42Å; D65-Y69 PolarHBondContact O-N 3.16Å; D65-Y110 VanDerWaalsContact CG-OH 3.29Å; D65-Y110 VanDerWaalsContact OD1-CE1 3.31Å; D65-Y110 WeakPolarHBondContact OD1-CE1 3.46Å; D65-Y110 PolarHBondContact OD1-OH 2.85Å
66	R	86	Confident	82.3	Confident	165 Å²	165	69.5 Å²	69.5	62%	0.623	34%	0.335	S	S	*	.	H	α-helix	trans	-66.3	-38	176	-73.8	171.1	178.9	162.3	-0.9	112.1	R62 H63 V64 K70	R62-R66 VanDerWaalsContact O-CG 3.29Å; R62-R66 WeakPolarHBondContact O-CG 3.45Å; R62-R66 PolarHBondContact O-N 3.34Å; H63-R66 PolarHBondContact O-N 2.81Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.31Å; R66-K70 WeakPolarHBondContact O-CB 3.4Å; R66-K70 VanDerWaalsContact O-CG 3.32Å; R66-K70 WeakPolarHBondContact O-CG 3.46Å; R66-K70 PolarHBondContact O-N 3.03Å
67	L	86	Confident	80.9	Confident	23 Å²	23	71.7 Å²	71.7	12%	0.12	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-43.2	176.6	-67.5	-179.3	0	0	0	111	H63 V64 K70 Y71 F85 L156	H63-L67 WeakPolarHBondContact O-CG 3.39Å; H63-L67 PolarHBondContact O-N 3.31Å; V64-L67 CarbonylContact O-C 3.58Å; V64-L67 WeakPolarHBondContact O-CB 3.47Å; V64-L67 PolarHBondContact O-N 2.95Å; L67-K70 PolarHBondContact O-N 2.91Å; L67-Y71 VanDerWaalsContact O-CB 3.28Å; L67-Y71 WeakPolarHBondContact O-CB 3.37Å; L67-Y71 PolarHBondContact O-N 3.17Å; L67-F85 HydrophobicContact CD1-CD1 3.85Å; L67-F85 HydrophobicContact CD1-CE1 4.31Å; L67-L156 HydrophobicContact CB-CD1 4.28Å; L67-L156 HydrophobicContact CB-CD2 3.49Å; L67-L156 VanDerWaalsContact CB-CD2 3.49Å; L67-L156 HydrophobicContact CD1-CD1 3.93Å
68	L	82.4	Confident	79.5	Confident	19 Å²	19	75.2 Å²	75.2	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-62.6	-44.4	174.3	-74	169.7	0	0	0	111.3	V64 D65 K70 Y71 H72 Y110 L156	V64-L68 HydrophobicContact CG1-CD1 3.84Å; V64-L68 HydrophobicContact CG1-CG 4.23Å; V64-L68 WeakPolarHBondContact O-CG 3.31Å; V64-L68 PolarHBondContact O-N 3.46Å; D65-L68 PolarHBondContact O-N 3.49Å; L68-K70 PolarHBondContact O-N 2.82Å; L68-Y71 VanDerWaalsContact O-CB 3.3Å; L68-Y71 WeakPolarHBondContact O-CB 3.35Å; L68-Y71 PolarHBondContact O-N 3.47Å; L68-Y71 VanDerWaalsContact O-N 3.16Å; L68-H72 PolarHBondContact O-CD2 2.8Å; L68-H72 PolarHBondContact O-N 3.23Å; L68-Y110 HydrophobicContact CD1-CD1 3.85Å; L68-Y110 HydrophobicContact CD1-CE1 3.86Å; L68-L156 HydrophobicContact CB-CD2 4.44Å; L68-L156 HydrophobicContact CD2-CD2 3.7Å; L68-L156 HydrophobicContact CD2-CG 4.29Å; L68-L156 HydrophobicContact CG-CD2 3.74Å
69	Y	82.2	Confident	78.2	Confident	164 Å²	164	74.6 Å²	74.6	64%	0.643	37%	0.365	S	S	*	.	H	α-helix	trans	-58.1	-50.4	175.7	178.7	-96.6	0	0	0	111.3	D65 Y71 H72 S73	D65-Y69 VanDerWaalsContact O-CB 3.3Å; D65-Y69 WeakPolarHBondContact O-CB 3.42Å; D65-Y69 PolarHBondContact O-N 3.16Å; Y69-Y71 VanDerWaalsContact C-N 3.26Å; Y69-Y71 PolarHBondContact O-N 3.41Å; Y69-H72 PolarHBondContact O-N 2.87Å; Y69-H72 VanDerWaalsContact O-N 3.17Å; Y69-S73 WeakPolarHBondContact CE2-OG 3.23Å; Y69-S73 WeakPolarHBondContact O-CB 3.3Å; Y69-S73 PolarHBondContact O-N 2.79Å; Y69-S73 PolarHBondContact O-OG 2.92Å; Y69-S73 VanDerWaalsContact O-OG 3.13Å
70	K	77.8	Confident	76.9	Confident	136 Å²	136	75.8 Å²	75.8	59%	0.591	38%	0.382	S	S	*	.	H	α-helix	trans	-58.8	-40.3	175.5	-74.7	179.2	179.2	-171.3	0	112.1	R66 L67 L68 H72 S74	R66-K70 WeakPolarHBondContact O-CB 3.4Å; R66-K70 VanDerWaalsContact O-CG 3.32Å; R66-K70 WeakPolarHBondContact O-CG 3.46Å; R66-K70 PolarHBondContact O-N 3.03Å; L67-K70 PolarHBondContact O-N 2.91Å; L68-K70 PolarHBondContact O-N 2.82Å; K70-H72 VanDerWaalsContact C-N 3.35Å; K70-S74 WeakPolarHBondContact O-CB 3.39Å; K70-S74 PolarHBondContact O-N 3.19Å
71	Y	73	Confident	75.8	Confident	17 Å²	17	83.2 Å²	83.2	7%	0.067	42%	0.415	C	S	.	.	H	α-helix	trans	-60.6	-43.5	177	-166.2	-74.9	0	0	0	111.7	L67 L68 Y69 F77 P158	L67-Y71 VanDerWaalsContact O-CB 3.28Å; L67-Y71 WeakPolarHBondContact O-CB 3.37Å; L67-Y71 PolarHBondContact O-N 3.17Å; L68-Y71 VanDerWaalsContact O-CB 3.3Å; L68-Y71 WeakPolarHBondContact O-CB 3.35Å; L68-Y71 PolarHBondContact O-N 3.47Å; L68-Y71 VanDerWaalsContact O-N 3.16Å; Y69-Y71 VanDerWaalsContact C-N 3.26Å; Y69-Y71 PolarHBondContact O-N 3.41Å; Y71-F77 AromaticContact CD2-CD1 3.72Å; Y71-F77 HydrophobicContact CD2-CD1 3.72Å; Y71-F77 AromaticContact CD2-CD2 3.86Å; Y71-F77 HydrophobicContact CD2-CD2 3.86Å; Y71-F77 AromaticContact CD2-CE1 3.36Å; Y71-F77 HydrophobicContact CD2-CE1 3.36Å; Y71-F77 AromaticContact CD2-CE2 3.46Å; Y71-F77 HydrophobicContact CD2-CE2 3.46Å; Y71-F77 VanDerWaalsContact CD2-CE2 3.46Å; Y71-F77 AromaticContact CD2-CG 3.98Å; Y71-F77 HydrophobicContact CD2-CG 3.98Å; Y71-F77 AromaticContact CD2-CZ 3.2Å; Y71-F77 HydrophobicContact CD2-CZ 3.2Å; Y71-F77 HydrophobicContact CE1-CD1 4.16Å; Y71-F77 AromaticContact CE2-CD1 3.32Å; Y71-F77 HydrophobicContact CE2-CD1 3.32Å; Y71-F77 HydrophobicContact CE2-CD2 4.32Å; Y71-F77 AromaticContact CE2-CE1 2.88Å; Y71-F77 HydrophobicContact CE2-CE1 2.88Å; Y71-F77 AromaticContact CE2-CE2 3.95Å; Y71-F77 HydrophobicContact CE2-CE2 3.95Å; Y71-F77 HydrophobicContact CE2-CG 4.05Å; Y71-F77 AromaticContact CE2-CZ 3.23Å; Y71-F77 HydrophobicContact CE2-CZ 3.23Å; Y71-F77 HydrophobicContact CG-CD1 4.29Å; Y71-F77 HydrophobicContact CG-CD2 4.17Å; Y71-F77 HydrophobicContact CG-CE1 4.34Å; Y71-F77 HydrophobicContact CG-CE2 4.16Å; Y71-F77 HydrophobicContact CG-CG 4.23Å; Y71-F77 HydrophobicContact CG-CZ 4.25Å; Y71-F77 AromaticContact CZ-CD1 3.45Å; Y71-F77 VanDerWaalsContact CZ-CD1 3.45Å; Y71-F77 AromaticContact CZ-CE1 3.49Å; Y71-F77 VanDerWaalsContact CZ-CE1 3.49Å; Y71-P158 HydrophobicContact CE1-CB 3.93Å; Y71-P158 WeakPolarHBondContact OH-CB 3.37Å; Y71-P158 WeakPolarHBondContact OH-CG 3.37Å
72	H	73	Confident	75	Confident	73 Å²	73	84.5 Å²	84.5	34%	0.338	42%	0.423	S	S	.	.	H	α-helix	trans	-83.2	-30	-176.9	-66.4	-52.7	0	0	0	114.2	L68 Y69 K70 T159	L68-H72 PolarHBondContact O-CD2 2.8Å; L68-H72 PolarHBondContact O-N 3.23Å; Y69-H72 PolarHBondContact O-N 2.87Å; Y69-H72 VanDerWaalsContact O-N 3.17Å; K70-H72 VanDerWaalsContact C-N 3.35Å; H72-T159 PolarHBondContact CE1-OG1 3.06Å
73	S	74	Confident	74.8	Confident	70 Å²	70	78 Å²	78	49%	0.49	40%	0.402	S	S	.	.	H	α-helix	trans	-89.4	-22	-177.8	-59.6	0	0	0	0	113.9	Y69 S75	Y69-S73 WeakPolarHBondContact CE2-OG 3.23Å; Y69-S73 WeakPolarHBondContact O-CB 3.3Å; Y69-S73 PolarHBondContact O-N 2.79Å; Y69-S73 PolarHBondContact O-OG 2.92Å; Y69-S73 VanDerWaalsContact O-OG 3.13Å; S73-S75 PolarHBondContact O-N 3.44Å
74	S	66.7	Low	74.9	Confident	53 Å²	53	80.2 Å²	80.2	37%	0.371	41%	0.413	S	S	.	.			trans	-81.9	112.9	178.2	-172	0	0	0	0	110.5	K70 Q76 F77	K70-S74 WeakPolarHBondContact O-CB 3.39Å; K70-S74 PolarHBondContact O-N 3.19Å; S74-Q76 PolarHBondContact O-N 3.19Å; S74-Q76 PolarHBondContact OG-N 2.89Å; S74-F77 PolarHBondContact O-N 3.18Å
75	S	60.8	Low	75	Confident	125 Å²	125	80.2 Å²	80.2	87%	0.874	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.1	168.7	54.7	0	0	0	0	112.8	S73	S73-S75 PolarHBondContact O-N 3.44Å
76	Q	57.5	Low	75.4	Confident	171 Å²	171	78.7 Å²	78.7	80%	0.799	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	14.6	180	-58.7	-176.5	15.3	0	0	112.8	S74 D78	S74-Q76 PolarHBondContact O-N 3.19Å; S74-Q76 PolarHBondContact OG-N 2.89Å; Q76-D78 PolarHBondContact O-N 2.94Å
77	F	63.1	Low	75.9	Confident	46 Å²	46	70.8 Å²	70.8	20%	0.202	37%	0.371	C	S	.	.			trans	-68.5	110.6	177.5	-160.3	-79.1	0	0	0	109.9	Y71 S74 P79 K81	Y71-F77 AromaticContact CD2-CD1 3.72Å; Y71-F77 HydrophobicContact CD2-CD1 3.72Å; Y71-F77 AromaticContact CD2-CD2 3.86Å; Y71-F77 HydrophobicContact CD2-CD2 3.86Å; Y71-F77 AromaticContact CD2-CE1 3.36Å; Y71-F77 HydrophobicContact CD2-CE1 3.36Å; Y71-F77 AromaticContact CD2-CE2 3.46Å; Y71-F77 HydrophobicContact CD2-CE2 3.46Å; Y71-F77 VanDerWaalsContact CD2-CE2 3.46Å; Y71-F77 AromaticContact CD2-CG 3.98Å; Y71-F77 HydrophobicContact CD2-CG 3.98Å; Y71-F77 AromaticContact CD2-CZ 3.2Å; Y71-F77 HydrophobicContact CD2-CZ 3.2Å; Y71-F77 HydrophobicContact CE1-CD1 4.16Å; Y71-F77 AromaticContact CE2-CD1 3.32Å; Y71-F77 HydrophobicContact CE2-CD1 3.32Å; Y71-F77 HydrophobicContact CE2-CD2 4.32Å; Y71-F77 AromaticContact CE2-CE1 2.88Å; Y71-F77 HydrophobicContact CE2-CE1 2.88Å; Y71-F77 AromaticContact CE2-CE2 3.95Å; Y71-F77 HydrophobicContact CE2-CE2 3.95Å; Y71-F77 HydrophobicContact CE2-CG 4.05Å; Y71-F77 AromaticContact CE2-CZ 3.23Å; Y71-F77 HydrophobicContact CE2-CZ 3.23Å; Y71-F77 HydrophobicContact CG-CD1 4.29Å; Y71-F77 HydrophobicContact CG-CD2 4.17Å; Y71-F77 HydrophobicContact CG-CE1 4.34Å; Y71-F77 HydrophobicContact CG-CE2 4.16Å; Y71-F77 HydrophobicContact CG-CG 4.23Å; Y71-F77 HydrophobicContact CG-CZ 4.25Å; Y71-F77 AromaticContact CZ-CD1 3.45Å; Y71-F77 VanDerWaalsContact CZ-CD1 3.45Å; Y71-F77 AromaticContact CZ-CE1 3.49Å; Y71-F77 VanDerWaalsContact CZ-CE1 3.49Å; S74-F77 PolarHBondContact O-N 3.18Å; F77-P79 WeakPolarHBondContact O-CD 3.32Å; F77-K81 WeakPolarHBondContact CZ-O 3.38Å
78	D	63.9	Low	76.3	Confident	76 Å²	76	70.1 Å²	70.1	41%	0.406	37%	0.367	S	S	.	.			trans	-74.6	109.2	171	-179.8	-3.8	0	0	0	108.8	Q76 S80 K81	Q76-D78 PolarHBondContact O-N 2.94Å; D78-S80 PolarHBondContact O-N 3.28Å; D78-S80 WeakPolarHBondContact OD1-CB 3.38Å; D78-S80 PolarHBondContact OD1-N 2.95Å; D78-S80 PolarHBondContact OD1-OG 3.15Å; D78-S80 PolarHBondContact OD2-OG 2.76Å; D78-K81 PolarHBondContact O-N 2.84Å
79	P	62.7	Low	76.9	Confident	89 Å²	89	69.2 Å²	69.2	58%	0.578	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.1	-179.6	-18.5	31.9	0	0	0	112.7	F77 K81	F77-P79 WeakPolarHBondContact O-CD 3.32Å; P79-K81 PolarHBondContact O-N 2.79Å
80	S	61.6	Low	77.4	Confident	86 Å²	86	63.2 Å²	63.2	60%	0.601	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.2	176.3	81.6	0	0	0	0	113.4	D78 P82	D78-S80 PolarHBondContact O-N 3.28Å; D78-S80 WeakPolarHBondContact OD1-CB 3.38Å; D78-S80 PolarHBondContact OD1-N 2.95Å; D78-S80 PolarHBondContact OD1-OG 3.15Å; D78-S80 PolarHBondContact OD2-OG 2.76Å; S80-P82 VanDerWaalsContact C-CD 3.49Å; S80-P82 WeakPolarHBondContact O-CD 3.48Å
81	K	70.2	Confident	78.1	Confident	156 Å²	156	57 Å²	57	68%	0.678	32%	0.316	S	S	*	.	S	Bend	trans	-124.5	68.5	179.4	-66.3	-176.9	-177	176.3	0	111.2	F77 D78 P79 S83	F77-K81 WeakPolarHBondContact CZ-O 3.38Å; D78-K81 PolarHBondContact O-N 2.84Å; P79-K81 PolarHBondContact O-N 2.79Å; K81-S83 PolarHBondContact O-N 2.86Å
82	P	74.1	Confident	79.1	Confident	36 Å²	36	61 Å²	61	23%	0.234	34%	0.344	C	S	.	.			trans	-58.2	141.2	178.1	25.4	-33.7	0	0	0	110.9	S80 E84 L156	S80-P82 VanDerWaalsContact C-CD 3.49Å; S80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-E84 PolarHBondContact O-N 2.84Å; P82-L156 WeakPolarHBondContact CB-O 3.47Å
83	S	86.6	Confident	80	Confident	25 Å²	25	62.9 Å²	62.9	18%	0.175	36%	0.356	C	S	.	.			trans	-56.2	134.2	171.8	-66.6	0	0	0	0	109.5	K81 L156	K81-S83 PolarHBondContact O-N 2.86Å; S83-L156 WeakPolarHBondContact O-CD1 3.33Å; S83-L156 PolarHBondContact O-N 2.86Å
84	E	90.9	Very high	81	Confident	73 Å²	73	60 Å²	60	34%	0.341	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.6	-174.6	62.9	171.2	-143.8	0	0	112.5	P82 H153 I154 R155	P82-E84 PolarHBondContact O-N 2.84Å; E84-H153 VanDerWaalsContact CD-NE2 3.31Å; E84-H153 IonicContact OE1-NE2 3.73Å; E84-H153 IonicContact OE2-CE1 3.23Å; E84-H153 PolarHBondContact OE2-CE1 2.93Å; E84-H153 VanDerWaalsContact OE2-CE1 3.23Å; E84-H153 IonicContact OE2-NE2 2.78Å; E84-H153 PolarHBondContact OE2-NE2 2.91Å; E84-I154 VanDerWaalsContact CA-O 3.25Å; E84-I154 WeakPolarHBondContact CA-O 3.3Å; E84-R155 HydrophobicContact CB-CG 3.89Å
85	F	93.8	Very high	82.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	170.8	174.7	67.2	-78.8	0	0	0	110.3	R43 I45 I60 H63 V64 L67 I87 I154 L156	R43-F85 HydrophobicContact CB-CB 4.22Å; R43-F85 CarbonylContact O-C 3.59Å; R43-F85 WeakPolarHBondContact O-CA 3.45Å; I45-F85 HydrophobicContact CD1-CD2 4.11Å; I45-F85 HydrophobicContact CD1-CE2 4.46Å; I60-F85 HydrophobicContact CG2-CE2 3.73Å; I60-F85 HydrophobicContact CG2-CZ 3.95Å; H63-F85 AromaticContact CD2-CG 3.99Å; V64-F85 HydrophobicContact CG2-CE1 3.81Å; V64-F85 HydrophobicContact CG2-CZ 3.65Å; L67-F85 HydrophobicContact CD1-CD1 3.85Å; L67-F85 HydrophobicContact CD1-CE1 4.31Å; F85-I87 HydrophobicContact CD2-CG2 4.1Å; F85-I87 HydrophobicContact CE2-CG2 3.83Å; F85-I154 HydrophobicContact CD1-CB 4.13Å; F85-I154 HydrophobicContact CD1-CG2 4.23Å; F85-I154 HydrophobicContact CD2-CD1 4.41Å; F85-I154 HydrophobicContact CE1-CB 3.72Å; F85-I154 HydrophobicContact CE1-CD1 4.42Å; F85-I154 HydrophobicContact CE1-CG2 3.44Å; F85-I154 VanDerWaalsContact CE1-CG2 3.44Å; F85-I154 HydrophobicContact CE2-CB 4.17Å; F85-I154 HydrophobicContact CE2-CD1 3.55Å; F85-I154 HydrophobicContact CE2-CG1 4.37Å; F85-I154 HydrophobicContact CE2-CG2 4.49Å; F85-I154 HydrophobicContact CZ-CB 3.75Å; F85-I154 HydrophobicContact CZ-CD1 3.56Å; F85-I154 HydrophobicContact CZ-CG1 4.23Å; F85-I154 HydrophobicContact CZ-CG2 3.6Å; F85-I154 PolarHBondContact N-O 3.41Å; F85-I154 PolarHBondContact O-N 2.95Å; F85-L156 HydrophobicContact CE1-CD1 4.28Å
86	W	96.2	Very high	84.1	Confident	49 Å²	49	59.5 Å²	59.5	19%	0.186	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.6	-177.2	-64.1	80.6	0	0	0	110.5	R43 H44 I45 H88 Y119 H151 V152 H153	R43-W86 PolarHBondContact O-N 2.69Å; H44-W86 AromaticContact CE1-CD1 3.65Å; H44-W86 AromaticContact CE1-CG 3.8Å; H44-W86 AromaticContact ND1-CD1 4Å; H44-W86 AromaticContact ND1-CG 3.79Å; I45-W86 PolarHBondContact N-O 2.81Å; W86-H88 WeakPolarHBondContact CB-NE2 3.4Å; W86-Y119 HydrophobicContact CH2-CD2 4.07Å; W86-Y119 AromaticContact CH2-CE2 3.77Å; W86-Y119 HydrophobicContact CH2-CE2 3.77Å; W86-Y119 AromaticContact CZ3-CD2 3.7Å; W86-Y119 HydrophobicContact CZ3-CD2 3.7Å; W86-Y119 AromaticContact CZ3-CE2 3.82Å; W86-Y119 HydrophobicContact CZ3-CE2 3.82Å; W86-H151 HydrophobicContact CE3-CB 4.15Å; W86-H151 HydrophobicContact CZ3-CB 4.16Å; W86-V152 WeakPolarHBondContact CA-O 3.4Å; W86-H153 HydrophobicContact CD2-CB 4.16Å; W86-H153 AromaticContact CE2-CD2 3.54Å; W86-H153 AromaticContact CE2-CG 3.94Å; W86-H153 HydrophobicContact CE3-CB 3.86Å; W86-H153 HydrophobicContact CH2-CB 3.7Å; W86-H153 AromaticContact CH2-CG 3.9Å; W86-H153 HydrophobicContact CZ2-CB 3.97Å; W86-H153 AromaticContact CZ2-CD2 3.68Å; W86-H153 AromaticContact CZ2-CG 3.69Å; W86-H153 HydrophobicContact CZ3-CB 3.64Å; W86-H153 AromaticContact NE1-CD2 3.74Å
87	I	96.5	Very high	85.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.9	164.9	67.2	172.2	0	0	0	109.7	I45 I47 I60 F85 T98 L101 A102 V152 I154	I45-I87 HydrophobicContact CB-CG2 4.18Å; I45-I87 CarbonylContact O-C 3.55Å; I45-I87 VanDerWaalsContact O-CA 3.24Å; I45-I87 WeakPolarHBondContact O-CA 3.24Å; I47-I87 HydrophobicContact CD1-CB 4.26Å; I47-I87 HydrophobicContact CG1-CB 4.36Å; I60-I87 HydrophobicContact CD1-CG2 4.16Å; F85-I87 HydrophobicContact CD2-CG2 4.1Å; F85-I87 HydrophobicContact CE2-CG2 3.83Å; I87-T98 HydrophobicContact CB-CG2 4.47Å; I87-T98 HydrophobicContact CD1-CG2 3.81Å; I87-T98 HydrophobicContact CG1-CG2 3.8Å; I87-L101 HydrophobicContact CD1-CD2 3.73Å; I87-A102 HydrophobicContact CD1-CB 4.15Å; I87-V152 HydrophobicContact CD1-CB 4.17Å; I87-V152 HydrophobicContact CD1-CG1 4.48Å; I87-V152 HydrophobicContact CD1-CG2 4.45Å; I87-V152 HydrophobicContact CG1-CB 3.57Å; I87-V152 HydrophobicContact CG1-CG1 4.26Å; I87-V152 HydrophobicContact CG1-CG2 4.11Å; I87-V152 PolarHBondContact N-O 3.47Å; I87-V152 PolarHBondContact O-N 3Å; I87-I154 HydrophobicContact CD1-CD1 4.04Å; I87-I154 HydrophobicContact CG1-CD1 4.13Å; I87-I154 HydrophobicContact CG2-CD1 4.16Å
88	H	95.7	Very high	87.5	Confident	9 Å²	9	52 Å²	52	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.7	-170.9	-58.3	-63.1	0	0	0	111.2	H44 I45 F46 I47 W86 I150 H151	H44-H88 AromaticContact CG-NE2 3.57Å; H44-H88 AromaticContact ND1-CE1 3.64Å; H44-H88 AromaticContact ND1-NE2 2.89Å; H44-H88 PolarHBondContact ND1-NE2 3.02Å; I45-H88 PolarHBondContact O-N 3.04Å; F46-H88 HydrophobicContact CD1-CB 3.63Å; F46-H88 HydrophobicContact CE1-CB 3.76Å; F46-H88 AromaticContact CE1-CD2 3.98Å; F46-H88 HydrophobicContact CG-CB 4.31Å; F46-H88 AromaticContact CZ-CD2 3.88Å; I47-H88 PolarHBondContact N-O 3.4Å; W86-H88 WeakPolarHBondContact CB-NE2 3.4Å; H88-I150 WeakPolarHBondContact CA-O 3.49Å; H88-H151 AromaticContact CE1-ND1 3.51Å; H88-H151 AromaticContact ND1-CG 3.64Å; H88-H151 AromaticContact ND1-ND1 2.99Å; H88-H151 PolarHBondContact ND1-ND1 2.82Å
89	G	95.4	Very high	89.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125	171.2	0	0	0	0	0	111.3	S94 T98 A149 I150	G89-S94 WeakPolarHBondContact CA-OG 3.48Å; G89-T98 WeakPolarHBondContact CA-OG1 3.43Å; G89-T98 PolarHBondContact N-OG1 3.2Å; G89-A149 CarbonylContact O-C 3.6Å; G89-A149 WeakPolarHBondContact O-CA 3.32Å; G89-I150 PolarHBondContact N-O 3.34Å; G89-I150 PolarHBondContact O-N 2.89Å
90	I	92.8	Very high	90.8	Very high	37 Å²	37	51.1 Å²	51.1	19%	0.19	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120	-178.1	-56.3	171.5	0	0	0	109.8	V19 F46 S94 C123 K147 A149	V19-I90 HydrophobicContact CG1-CD1 4.1Å; V19-I90 HydrophobicContact CG2-CD1 3.99Å; F46-I90 HydrophobicContact CD1-CD1 4Å; F46-I90 HydrophobicContact CE1-CD1 3.95Å; I90-S94 PolarHBondContact N-OG 2.91Å; I90-S94 VanDerWaalsContact N-OG 3.17Å; I90-S94 VanDerWaalsContact O-CB 3.31Å; I90-S94 WeakPolarHBondContact O-CB 3.36Å; I90-C123 HydrophobicContact CG2-CB 4.17Å; I90-K147 HydrophobicContact CG2-CB 4.11Å; I90-K147 HydrophobicContact CG2-CD 4.23Å; I90-A149 HydrophobicContact CG1-CB 4.18Å
91	G	92.4	Very high	92.4	Very high	6 Å²	6	47 Å²	47	6%	0.062	24%	0.243	C	C	.	.	S	Bend	trans	84	162.5	-172.5	0	0	0	0	0	113.2	L93 S94 I95 G148	G91-L93 PolarHBondContact O-N 3.07Å; G91-S94 PolarHBondContact O-N 3.36Å; G91-S94 VanDerWaalsContact O-N 3.17Å; G91-I95 VanDerWaalsContact O-CG1 3.29Å; G91-I95 WeakPolarHBondContact O-CG1 3.34Å; G91-I95 PolarHBondContact O-N 2.91Å; G91-G148 PolarHBondContact N-O 2.88Å
92	P	92.3	Very high	93.7	Very high	102 Å²	102	39.9 Å²	39.9	66%	0.662	21%	0.213	S	C	*	.	H	α-helix	trans	-58.9	-46.4	-162.5	20.4	-32.8	0	0	0	114	I95 M96	P92-I95 PolarHBondContact O-N 3.33Å; P92-M96 PolarHBondContact O-N 3.44Å; P92-M96 VanDerWaalsContact O-N 3.13Å
93	L	93.8	Very high	94.8	Very high	111 Å²	111	42.7 Å²	42.7	58%	0.581	23%	0.225	S	C	*	.	H	α-helix	trans	-67.3	-39.1	-179.8	-63.7	-178.3	0	0	0	112.6	T49 G91 M96 R97	T49-L93 HydrophobicContact CG2-CB 3.64Å; G91-L93 PolarHBondContact O-N 3.07Å; L93-M96 HydrophobicContact CD2-CE 3.62Å; L93-R97 WeakPolarHBondContact O-CB 3.48Å; L93-R97 PolarHBondContact O-N 3.39Å; L93-R97 VanDerWaalsContact O-N 3.11Å
94	S	93.5	Very high	95.3	Very high	10 Å²	10	42.8 Å²	42.8	7%	0.07	22%	0.223	C	C	.	.	H	α-helix	trans	-72.2	-34.9	179	-176.9	0	0	0	0	111	I47 G89 I90 G91 R97 T98	I47-S94 PolarHBondContact O-OG 3.07Å; G89-S94 WeakPolarHBondContact CA-OG 3.48Å; I90-S94 PolarHBondContact N-OG 2.91Å; I90-S94 VanDerWaalsContact N-OG 3.17Å; I90-S94 VanDerWaalsContact O-CB 3.31Å; I90-S94 WeakPolarHBondContact O-CB 3.36Å; G91-S94 PolarHBondContact O-N 3.36Å; G91-S94 VanDerWaalsContact O-N 3.17Å; S94-R97 PolarHBondContact O-N 3.2Å; S94-T98 VanDerWaalsContact O-CB 3.31Å; S94-T98 WeakPolarHBondContact O-CB 3.29Å; S94-T98 PolarHBondContact O-N 3.32Å; S94-T98 PolarHBondContact O-OG1 2.78Å
95	I	96.5	Very high	95.5	Very high	50 Å²	50	39.3 Å²	39.3	26%	0.256	21%	0.207	S	C	.	.	H	α-helix	trans	-59.3	-53.5	172.7	-71.9	163	0	0	0	110.9	G91 P92 R97 T98 A99 I150	G91-I95 VanDerWaalsContact O-CG1 3.29Å; G91-I95 WeakPolarHBondContact O-CG1 3.34Å; G91-I95 PolarHBondContact O-N 2.91Å; P92-I95 PolarHBondContact O-N 3.33Å; I95-R97 VanDerWaalsContact C-N 3.31Å; I95-R97 PolarHBondContact O-N 3.26Å; I95-T98 PolarHBondContact O-N 2.98Å; I95-A99 PolarHBondContact O-N 3.28Å; I95-I150 HydrophobicContact CB-CG2 4.12Å; I95-I150 HydrophobicContact CG1-CB 4.26Å; I95-I150 HydrophobicContact CG1-CG2 3.92Å; I95-I150 HydrophobicContact CG2-CB 4.28Å; I95-I150 HydrophobicContact CG2-CG2 4.05Å
96	M	96.5	Very high	95.6	Very high	117 Å²	117	40 Å²	40	58%	0.576	21%	0.211	S	C	*	.	H	α-helix	trans	-58.2	-45.9	179.3	-70.2	-173.8	-64.4	0	0	111.3	P92 L93 T98 A99 E100	P92-M96 PolarHBondContact O-N 3.44Å; P92-M96 VanDerWaalsContact O-N 3.13Å; L93-M96 HydrophobicContact CD2-CE 3.62Å; M96-T98 VanDerWaalsContact C-N 3.34Å; M96-T98 PolarHBondContact O-N 3.39Å; M96-A99 PolarHBondContact O-N 3.23Å; M96-E100 WeakPolarHBondContact O-CB 3.43Å; M96-E100 PolarHBondContact O-N 3.18Å
97	R	95.6	Very high	95.5	Very high	61 Å²	61	44.1 Å²	44.1	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-38	178.6	-171.5	172.9	-78.5	-169	-6.1	112.7	I47 S48 T49 S51 F53 L93 S94 I95 L101	I47-R97 HydrophobicContact CG2-CB 4.11Å; I47-R97 HydrophobicContact CG2-CG 3.7Å; S48-R97 VanDerWaalsContact O-CD 3.3Å; S48-R97 WeakPolarHBondContact O-CD 3.25Å; S48-R97 PolarHBondContact O-NH1 2.89Å; T49-R97 VanDerWaalsContact CA-NH1 3.28Å; T49-R97 PolarHBondContact O-NH1 3.3Å; T49-R97 VanDerWaalsContact O-NH1 3.08Å; S51-R97 PolarHBondContact O-NH1 3.34Å; F53-R97 HydrophobicContact CD2-CG 3.89Å; F53-R97 HydrophobicContact CE2-CG 4.33Å; L93-R97 WeakPolarHBondContact O-CB 3.48Å; L93-R97 PolarHBondContact O-N 3.39Å; L93-R97 VanDerWaalsContact O-N 3.11Å; S94-R97 PolarHBondContact O-N 3.2Å; I95-R97 VanDerWaalsContact C-N 3.31Å; I95-R97 PolarHBondContact O-N 3.26Å; R97-L101 VanDerWaalsContact O-CB 3.23Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 PolarHBondContact O-N 3.43Å
98	T	97.2	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-42.4	177.6	-58	0	0	0	0	111.1	I47 I87 G89 S94 I95 M96 L101 A102 I150 V152	I47-T98 WeakPolarHBondContact CB-OG1 3.41Å; I47-T98 HydrophobicContact CG1-CG2 4.11Å; I47-T98 WeakPolarHBondContact CG1-OG1 2.86Å; I87-T98 HydrophobicContact CB-CG2 4.47Å; I87-T98 HydrophobicContact CD1-CG2 3.81Å; I87-T98 HydrophobicContact CG1-CG2 3.8Å; G89-T98 WeakPolarHBondContact CA-OG1 3.43Å; G89-T98 PolarHBondContact N-OG1 3.2Å; S94-T98 VanDerWaalsContact O-CB 3.31Å; S94-T98 WeakPolarHBondContact O-CB 3.29Å; S94-T98 PolarHBondContact O-N 3.32Å; S94-T98 PolarHBondContact O-OG1 2.78Å; I95-T98 PolarHBondContact O-N 2.98Å; M96-T98 VanDerWaalsContact C-N 3.34Å; M96-T98 PolarHBondContact O-N 3.39Å; T98-L101 PolarHBondContact O-N 2.84Å; T98-A102 WeakPolarHBondContact O-CB 3.33Å; T98-A102 PolarHBondContact O-N 3.09Å; T98-I150 HydrophobicContact CG2-CG2 3.9Å; T98-V152 HydrophobicContact CG2-CG2 3.78Å
99	A	97.4	Very high	95.3	Very high	37 Å²	37	56.2 Å²	56.2	31%	0.306	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-46.1	175.6	0	0	0	0	0	111.8	I95 M96 L101 A102 L103	I95-A99 PolarHBondContact O-N 3.28Å; M96-A99 PolarHBondContact O-N 3.23Å; A99-L101 VanDerWaalsContact C-N 3.33Å; A99-L101 PolarHBondContact O-N 2.98Å; A99-A102 PolarHBondContact O-N 3.37Å; A99-L103 WeakPolarHBondContact O-CG 3.49Å; A99-L103 PolarHBondContact O-N 2.92Å
100	E	97.2	Very high	95.2	Very high	108 Å²	108	57 Å²	57	51%	0.505	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-44	176.3	-171.1	-176.2	-179.7	0	0	111.5	F53 M96 L103 H104	F53-E100 HydrophobicContact CE1-CG 4.49Å; F53-E100 HydrophobicContact CE2-CB 4.22Å; F53-E100 HydrophobicContact CE2-CG 4.05Å; F53-E100 HydrophobicContact CZ-CB 4.33Å; F53-E100 HydrophobicContact CZ-CG 3.73Å; M96-E100 WeakPolarHBondContact O-CB 3.43Å; M96-E100 PolarHBondContact O-N 3.18Å; E100-L103 PolarHBondContact O-N 2.81Å; E100-H104 VanDerWaalsContact O-CB 3.32Å; E100-H104 WeakPolarHBondContact O-CB 3.45Å; E100-H104 PolarHBondContact O-N 2.8Å
101	L	96.9	Very high	95.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-44.2	178	-168.5	144.1	0	0	0	111.7	I47 F53 Q56 V57 I60 I87 R97 T98 A99 L103 H104 L105	I47-L101 HydrophobicContact CD1-CD1 4.14Å; F53-L101 HydrophobicContact CE2-CB 3.86Å; F53-L101 HydrophobicContact CE2-CD1 4.41Å; F53-L101 HydrophobicContact CE2-CG 4.44Å; F53-L101 HydrophobicContact CZ-CB 4.44Å; Q56-L101 HydrophobicContact CB-CD1 3.93Å; V57-L101 HydrophobicContact CG2-CD1 4.01Å; V57-L101 HydrophobicContact CG2-CG 4.05Å; I60-L101 HydrophobicContact CD1-CD1 3.84Å; I60-L101 HydrophobicContact CD1-CD2 3.47Å; I60-L101 VanDerWaalsContact CD1-CD2 3.47Å; I60-L101 HydrophobicContact CD1-CG 4.3Å; I87-L101 HydrophobicContact CD1-CD2 3.73Å; R97-L101 VanDerWaalsContact O-CB 3.23Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 PolarHBondContact O-N 3.43Å; T98-L101 PolarHBondContact O-N 2.84Å; A99-L101 VanDerWaalsContact C-N 3.33Å; A99-L101 PolarHBondContact O-N 2.98Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.45Å; L101-H104 PolarHBondContact O-N 3.15Å; L101-L105 HydrophobicContact CD2-CD1 3.48Å; L101-L105 VanDerWaalsContact CD2-CD1 3.48Å; L101-L105 HydrophobicContact CD2-CG 4.03Å; L101-L105 WeakPolarHBondContact O-CG 3.42Å; L101-L105 PolarHBondContact O-N 2.95Å
102	A	97.5	Very high	95	Very high	6 Å²	6	61.8 Å²	61.8	5%	0.05	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-44	177.4	0	0	0	0	0	112.2	I87 T98 A99 S106 I116 V152	I87-A102 HydrophobicContact CD1-CB 4.15Å; T98-A102 WeakPolarHBondContact O-CB 3.33Å; T98-A102 PolarHBondContact O-N 3.09Å; A99-A102 PolarHBondContact O-N 3.37Å; A102-S106 PolarHBondContact O-N 3.24Å; A102-S106 PolarHBondContact O-OG 3.08Å; A102-I116 HydrophobicContact CB-CD1 4.23Å; A102-I116 WeakPolarHBondContact O-CD1 3.46Å; A102-V152 HydrophobicContact CB-CG1 3.96Å; A102-V152 HydrophobicContact CB-CG2 4.49Å
103	L	96.8	Very high	94.9	Very high	96 Å²	96	59.4 Å²	59.4	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-66.5	-40.9	175.8	-70.3	171.5	0	0	0	111.6	A99 E100 L101 S106 H107	A99-L103 WeakPolarHBondContact O-CG 3.49Å; A99-L103 PolarHBondContact O-N 2.92Å; E100-L103 PolarHBondContact O-N 2.81Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.45Å; L103-S106 PolarHBondContact O-N 3.32Å; L103-S106 PolarHBondContact O-OG 3.4Å; L103-H107 WeakPolarHBondContact O-CB 3.27Å; L103-H107 PolarHBondContact O-N 2.98Å
104	H	96.7	Very high	94.9	Very high	27 Å²	27	55 Å²	55	13%	0.125	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-46	177	-166.8	101.2	0	0	0	111.5	F53 E100 L101 R108 L109	F53-H104 HydrophobicContact CZ-CB 4.36Å; E100-H104 VanDerWaalsContact O-CB 3.32Å; E100-H104 WeakPolarHBondContact O-CB 3.45Å; E100-H104 PolarHBondContact O-N 2.8Å; L101-H104 PolarHBondContact O-N 3.15Å; H104-R108 VanDerWaalsContact O-CB 3.29Å; H104-R108 WeakPolarHBondContact O-CB 3.41Å; H104-R108 PolarHBondContact O-N 3.04Å; H104-R108 VanDerWaalsContact O-N 3.07Å; H104-L109 PolarHBondContact O-N 3.5Å
105	L	96	Very high	94.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.309	C	S	.	.	I	π-helix	trans	-60.3	-52	176.1	-70.8	173.5	0	0	0	111.5	I60 L101 L109 Y110 L114 I154	I60-L105 HydrophobicContact CB-CD1 4.45Å; I60-L105 HydrophobicContact CG2-CD1 3.59Å; I60-L105 HydrophobicContact CG2-CD2 4.25Å; L101-L105 HydrophobicContact CD2-CD1 3.48Å; L101-L105 VanDerWaalsContact CD2-CD1 3.48Å; L101-L105 HydrophobicContact CD2-CG 4.03Å; L101-L105 WeakPolarHBondContact O-CG 3.42Å; L101-L105 PolarHBondContact O-N 2.95Å; L105-L109 HydrophobicContact CD2-CD1 4.29Å; L105-L109 PolarHBondContact O-N 3.2Å; L105-Y110 HydrophobicContact CD2-CD2 4.23Å; L105-Y110 HydrophobicContact CD2-CE2 4.02Å; L105-Y110 WeakPolarHBondContact O-CB 3.31Å; L105-Y110 PolarHBondContact O-N 2.85Å; L105-L114 HydrophobicContact CB-CD1 3.93Å; L105-I154 HydrophobicContact CD1-CD1 4.18Å
106	S	94.7	Very high	94.9	Very high	14 Å²	14	60.6 Å²	60.6	10%	0.098	31%	0.31	C	S	.	.	I	π-helix	trans	-73.3	-37	-172.9	50	0	0	0	0	114.6	A102 L103 Y110 P111 I116	A102-S106 PolarHBondContact O-N 3.24Å; A102-S106 PolarHBondContact O-OG 3.08Å; L103-S106 PolarHBondContact O-N 3.32Å; L103-S106 PolarHBondContact O-OG 3.4Å; S106-Y110 CarbonylContact O-C 3.53Å; S106-P111 VanDerWaalsContact O-CA 3.27Å; S106-P111 WeakPolarHBondContact O-CA 3.14Å; S106-I116 VanDerWaalsContact CB-CD1 3.47Å; S106-I116 WeakPolarHBondContact OG-CD1 3.4Å
107	H	93.6	Very high	94.9	Very high	136 Å²	136	56.5 Å²	56.5	63%	0.63	29%	0.293	S	S	*	.	I	π-helix	trans	-96.6	-27.1	-174.5	-63.9	172.5	0	0	0	113.5	L103	L103-H107 WeakPolarHBondContact O-CB 3.27Å; L103-H107 PolarHBondContact O-N 2.98Å
108	R	94.4	Very high	95	Very high	186 Å²	186	58 Å²	58	70%	0.702	31%	0.309	S	S	*	.	I	π-helix	trans	-105.9	-47.5	-175.6	-60	-172.2	176.1	-178.3	0.8	113.6	H104	H104-R108 VanDerWaalsContact O-CB 3.29Å; H104-R108 WeakPolarHBondContact O-CB 3.41Å; H104-R108 PolarHBondContact O-N 3.04Å; H104-R108 VanDerWaalsContact O-N 3.07Å
109	L	94	Very high	95	Very high	76 Å²	76	63.2 Å²	63.2	40%	0.398	33%	0.329	S	S	.	.	I	π-helix	trans	-93	-36.2	-171.5	-60.3	-172.9	0	0	0	113.2	V57 S61 H104 L105 P111	V57-L109 HydrophobicContact CG1-CD1 3.57Å; S61-L109 WeakPolarHBondContact OG-CD1 3.08Å; H104-L109 PolarHBondContact O-N 3.5Å; L105-L109 HydrophobicContact CD2-CD1 4.29Å; L105-L109 PolarHBondContact O-N 3.2Å; L109-P111 VanDerWaalsContact C-CD 3.45Å
110	Y	93.3	Very high	95	Very high	17 Å²	17	67.4 Å²	67.4	7%	0.067	35%	0.351	C	S	.	.	S	Bend	trans	-133.5	53.1	-172.9	-58.4	-73.2	0	0	0	112.5	S61 V64 D65 L68 L105 S106 G112 H113 L114	S61-Y110 VanDerWaalsContact C-OH 3.3Å; S61-Y110 VanDerWaalsContact CA-OH 3.22Å; S61-Y110 WeakPolarHBondContact CA-OH 3.42Å; S61-Y110 VanDerWaalsContact CB-OH 3.25Å; S61-Y110 WeakPolarHBondContact CB-OH 3.18Å; S61-Y110 PolarHBondContact O-OH 3.38Å; V64-Y110 HydrophobicContact CB-CD2 4.44Å; V64-Y110 HydrophobicContact CB-CE1 4.22Å; V64-Y110 HydrophobicContact CB-CE2 3.85Å; V64-Y110 HydrophobicContact CG1-CD1 3.76Å; V64-Y110 HydrophobicContact CG1-CD2 3.94Å; V64-Y110 HydrophobicContact CG1-CE1 3.56Å; V64-Y110 HydrophobicContact CG1-CE2 3.76Å; V64-Y110 HydrophobicContact CG1-CG 3.95Å; V64-Y110 HydrophobicContact CG2-CE2 4.24Å; D65-Y110 VanDerWaalsContact CG-OH 3.29Å; D65-Y110 VanDerWaalsContact OD1-CE1 3.31Å; D65-Y110 WeakPolarHBondContact OD1-CE1 3.46Å; D65-Y110 PolarHBondContact OD1-OH 2.85Å; L68-Y110 HydrophobicContact CD1-CD1 3.85Å; L68-Y110 HydrophobicContact CD1-CE1 3.86Å; L105-Y110 HydrophobicContact CD2-CD2 4.23Å; L105-Y110 HydrophobicContact CD2-CE2 4.02Å; L105-Y110 WeakPolarHBondContact O-CB 3.31Å; L105-Y110 PolarHBondContact O-N 2.85Å; S106-Y110 CarbonylContact O-C 3.53Å; Y110-G112 PolarHBondContact O-N 2.69Å; Y110-H113 PolarHBondContact O-N 2.91Å; Y110-H113 VanDerWaalsContact O-N 3.08Å; Y110-L114 HydrophobicContact CD2-CD1 3.95Å; Y110-L114 HydrophobicContact CG-CD1 4.14Å; Y110-L114 HydrophobicContact CG-CG 4.4Å
111	P	92	Very high	94.9	Very high	81 Å²	81	64.4 Å²	64.4	53%	0.526	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	123	-178.8	26.6	-34.6	0	0	0	111.2	S106 L109 H113	S106-P111 VanDerWaalsContact O-CA 3.27Å; S106-P111 WeakPolarHBondContact O-CA 3.14Å; L109-P111 VanDerWaalsContact C-CD 3.45Å; P111-H113 PolarHBondContact O-CD2 3.49Å; P111-H113 VanDerWaalsContact O-CD2 3.24Å; P111-H113 PolarHBondContact O-N 3.02Å
112	G	90	Very high	94.6	Very high	62 Å²	62	68.3 Å²	68.3	64%	0.639	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-8.6	-179.9	0	0	0	0	0	115.7	Y110	Y110-G112 PolarHBondContact O-N 2.69Å
113	H	90.2	Very high	94.1	Very high	52 Å²	52	68.3 Å²	68.3	24%	0.241	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-12.4	-178.9	-68.8	-90.7	0	0	0	113.8	Y110 P111 L156 V157 T159	Y110-H113 PolarHBondContact O-N 2.91Å; Y110-H113 VanDerWaalsContact O-N 3.08Å; P111-H113 PolarHBondContact O-CD2 3.49Å; P111-H113 VanDerWaalsContact O-CD2 3.24Å; P111-H113 PolarHBondContact O-N 3.02Å; H113-L156 CarbonylContact O-C 3.59Å; H113-L156 WeakPolarHBondContact O-CA 3.18Å; H113-V157 PolarHBondContact O-N 3.21Å; H113-T159 WeakPolarHBondContact CE1-CG2 3.32Å; H113-T159 WeakPolarHBondContact ND1-CG2 3.43Å
114	L	93.2	Very high	93.6	Very high	19 Å²	19	66.1 Å²	66.1	10%	0.099	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.1	-176.1	-57.4	-179	0	0	0	110.8	V64 L105 Y110 I154 L156	V64-L114 HydrophobicContact CG1-CD2 4.07Å; L105-L114 HydrophobicContact CB-CD1 3.93Å; Y110-L114 HydrophobicContact CD2-CD1 3.95Å; Y110-L114 HydrophobicContact CG-CD1 4.14Å; Y110-L114 HydrophobicContact CG-CG 4.4Å; L114-I154 HydrophobicContact CB-CG2 4.29Å; L114-I154 HydrophobicContact CD1-CG2 4.22Å; L114-I154 HydrophobicContact CD2-CG2 3.83Å; L114-I154 HydrophobicContact CG-CG2 4.34Å; L114-L156 HydrophobicContact CD2-CD1 4.15Å; L114-L156 HydrophobicContact CD2-CG 4.24Å
115	K	93.6	Very high	92.8	Very high	124 Å²	124	65.1 Å²	65.1	54%	0.539	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.9	166	-175.5	172.6	-175.5	173	0	108.7	R155 V157	K115-R155 HydrophobicContact CB-CB 4.4Å; K115-R155 PolarHBondContact N-O 3.03Å; K115-R155 PolarHBondContact O-N 2.94Å; K115-V157 HydrophobicContact CB-CG2 3.81Å
116	I	95.7	Very high	92.2	Very high	54 Å²	54	68.9 Å²	68.9	28%	0.277	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.6	-177.8	-67	177.1	0	0	0	110.1	A102 S106 T118 V152 H153 I154	A102-I116 HydrophobicContact CB-CD1 4.23Å; A102-I116 WeakPolarHBondContact O-CD1 3.46Å; S106-I116 VanDerWaalsContact CB-CD1 3.47Å; S106-I116 WeakPolarHBondContact OG-CD1 3.4Å; I116-T118 HydrophobicContact CG2-CG2 4.17Å; I116-V152 HydrophobicContact CG2-CG1 3.48Å; I116-V152 VanDerWaalsContact CG2-CG1 3.48Å; I116-H153 WeakPolarHBondContact CA-O 3.17Å; I116-I154 HydrophobicContact CG1-CG1 4.4Å
117	S	97	Very high	91.4	Very high	30 Å²	30	73 Å²	73	21%	0.21	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.4	166.4	-55.4	0	0	0	0	109.4	V152 H153	S117-V152 CarbonylContact O-C 3.59Å; S117-V152 WeakPolarHBondContact O-CA 3.28Å; S117-H153 PolarHBondContact N-O 3.38Å; S117-H153 PolarHBondContact O-N 3.44Å
118	T	97.4	Very high	90.8	Very high	93 Å²	93	72 Å²	72	57%	0.571	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.6	-174.7	54.1	0	0	0	0	111.1	I116 H151 V152	I116-T118 HydrophobicContact CG2-CG2 4.17Å; T118-H151 CarbonylContact C-O 3.58Å; T118-H151 WeakPolarHBondContact CA-O 3.3Å; T118-V152 HydrophobicContact CG2-CG1 4.28Å; T118-V152 HydrophobicContact CG2-CG2 4.15Å
119	Y	97.8	Very high	90.1	Very high	109 Å²	109	65.4 Å²	65.4	43%	0.427	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.1	178.4	-52.6	-92.9	0	0	0	109	W86 I150 H151 H153	W86-Y119 HydrophobicContact CH2-CD2 4.07Å; W86-Y119 AromaticContact CH2-CE2 3.77Å; W86-Y119 HydrophobicContact CH2-CE2 3.77Å; W86-Y119 AromaticContact CZ3-CD2 3.7Å; W86-Y119 HydrophobicContact CZ3-CD2 3.7Å; W86-Y119 AromaticContact CZ3-CE2 3.82Å; W86-Y119 HydrophobicContact CZ3-CE2 3.82Å; Y119-I150 CarbonylContact O-C 3.56Å; Y119-I150 WeakPolarHBondContact O-CA 3.47Å; Y119-H151 PolarHBondContact N-O 3.47Å; Y119-H151 PolarHBondContact O-N 3.16Å; Y119-H153 HydrophobicContact CE2-CB 4Å
120	T	96.7	Very high	89.5	Confident	126 Å²	126	67.3 Å²	67.3	77%	0.773	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.1	177.4	55.7	0	0	0	0	110.2	A149	T120-A149 WeakPolarHBondContact CA-O 3.49Å
121	S	94.6	Very high	88.8	Confident	45 Å²	45	69 Å²	69	32%	0.315	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	177.5	172.5	77.1	0	0	0	0	111.3	A149 H151	S121-A149 PolarHBondContact N-O 2.8Å; S121-A149 PolarHBondContact O-N 3.16Å; S121-H151 WeakPolarHBondContact CB-NE2 3.48Å; S121-H151 PolarHBondContact OG-NE2 2.89Å
122	S	91.3	Very high	88	Confident	82 Å²	82	72.7 Å²	72.7	57%	0.573	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.2	166.7	-66.2	0	0	0	0	109.4	K147	S122-K147 WeakPolarHBondContact CA-O 3.28Å
123	C	86.5	Confident	87	Confident	6 Å²	6	73 Å²	73	4%	0.041	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.3	-177.2	169.7	0	0	0	0	109.7	V19 I90 T146 K147 A149	V19-C123 VanDerWaalsContact CB-SG 3.5Å; V19-C123 WeakPolarHBondContact CG2-SG 3.42Å; I90-C123 HydrophobicContact CG2-CB 4.17Å; C123-T146 CarbonylContact O-C 3.48Å; C123-T146 WeakPolarHBondContact O-CA 3.18Å; C123-K147 PolarHBondContact N-O 3.04Å; C123-K147 PolarHBondContact O-N 3.12Å; C123-A149 HydrophobicContact CB-CB 4.43Å
124	S	86.2	Confident	85.9	Confident	50 Å²	50	78.9 Å²	78.9	35%	0.35	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.1	171.3	-64.9	0	0	0	0	109.4
125	T	81.1	Confident	84.8	Confident	5 Å²	5	84.9 Å²	84.9	3%	0.031	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.5	176.6	58.5	0	0	0	0	109.4	L23 S144 R145 K147	L23-T125 HydrophobicContact CD1-CG2 4.36Å; T125-S144 CarbonylContact O-C 3.58Å; T125-S144 WeakPolarHBondContact O-CA 3.29Å; T125-R145 PolarHBondContact N-O 3.32Å; T125-R145 PolarHBondContact O-N 3.24Å; T125-R145 PolarHBondContact OG1-O 2.82Å; T125-K147 HydrophobicContact CG2-CD 4.01Å; T125-K147 HydrophobicContact CG2-CG 4.46Å; T125-K147 WeakPolarHBondContact OG1-CE 3.17Å
126	K	82.1	Confident	83.5	Confident	79 Å²	79	87.6 Å²	87.6	34%	0.343	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131	173.4	-65.4	178.8	172.8	-157.9	0	109.3	T20 E142	T20-K126 HydrophobicContact CG2-CB 4.09Å; T20-K126 HydrophobicContact CG2-CD 3.41Å; T20-K126 VanDerWaalsContact CG2-CD 3.41Å; T20-K126 HydrophobicContact CG2-CG 3.71Å; K126-E142 HydrophobicContact CB-CG 4.03Å; K126-E142 VanDerWaalsContact CD-CD 3.4Å; K126-E142 HydrophobicContact CD-CG 4.19Å; K126-E142 WeakPolarHBondContact CD-OE1 3.31Å; K126-E142 WeakPolarHBondContact CE-OE1 3.49Å; K126-E142 HydrophobicContact CG-CG 4.22Å; K126-E142 IonicContact NZ-OE1 3.9Å; K126-E142 PolarHBondContact NZ-OE1 2.63Å; K126-E142 IonicContact NZ-OE2 3.56Å
127	K	79.2	Confident	82.3	Confident	100 Å²	100	92.4 Å²	92.4	44%	0.435	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.2	173.2	-175.6	-175.2	177.7	-170.4	0	108.2	I129 E143	K127-I129 HydrophobicContact CD-CG1 4.29Å; K127-I129 HydrophobicContact CG-CG1 4.31Å; K127-E143 PolarHBondContact N-O 2.8Å; K127-E143 PolarHBondContact O-N 2.9Å
128	H	80	Confident	81.2	Confident	117 Å²	117	96.3 Å²	96.3	54%	0.542	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	123.1	167.7	-65.4	-84.7	0	0	0	109.1	I140 E142	H128-I140 HydrophobicContact CB-CG2 4.24Å; H128-E142 IonicContact CE1-OE2 3.54Å
129	I	79.5	Confident	80.3	Confident	46 Å²	46	94 Å²	94	24%	0.236	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.6	174	-60.6	-176.2	0	0	0	106.8	K127 I140 R141 E143	K127-I129 HydrophobicContact CD-CG1 4.29Å; K127-I129 HydrophobicContact CG-CG1 4.31Å; I129-I140 WeakPolarHBondContact O-CA 3.22Å; I129-R141 PolarHBondContact N-O 3.28Å; I129-R141 PolarHBondContact O-N 3.14Å; I129-E143 HydrophobicContact CD1-CB 4.4Å; I129-E143 HydrophobicContact CD1-CG 3.69Å; I129-E143 WeakPolarHBondContact CD1-OE1 3.36Å; I129-E143 WeakPolarHBondContact CD1-OE2 3.21Å; I129-E143 HydrophobicContact CG1-CG 4.5Å
130	I	82.3	Confident	79.4	Confident	117 Å²	117	94.5 Å²	94.5	60%	0.6	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	117.5	172.8	-52.7	175.8	0	0	0	106.4	N138 I140	I130-N138 HydrophobicContact CG2-CB 4.23Å; I130-I140 HydrophobicContact CG1-CG1 4.42Å
131	S	78.2	Confident	78.8	Confident	51 Å²	51	96.4 Å²	96.4	36%	0.357	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.1	170.2	46.9	0	0	0	0	109.8	V133 S139	S131-V133 PolarHBondContact O-N 2.81Å; S131-S139 PolarHBondContact N-O 3.47Å; S131-S139 PolarHBondContact O-N 3.24Å; S131-S139 PolarHBondContact O-OG 3.02Å; S131-S139 PolarHBondContact OG-OG 3.3Å
132	Q	75.3	Confident	78.3	Confident	159 Å²	159	98.5 Å²	98.5	74%	0.743	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.8	170.7	-171	176.3	2.8	0	0	108.2
133	V	69.5	Low	78	Confident	70 Å²	70	97.2 Å²	97.2	42%	0.424	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	148.8	172.4	-170.1	0	0	0	0	107.7	S131 N135 K137 S139	S131-V133 PolarHBondContact O-N 2.81Å; V133-N135 PolarHBondContact O-N 3.01Å; V133-K137 WeakPolarHBondContact CA-O 3.18Å; V133-K137 VanDerWaalsContact CB-O 3.29Å; V133-K137 WeakPolarHBondContact CB-O 3.13Å; V133-K137 PolarHBondContact N-O 3.02Å; V133-S139 WeakPolarHBondContact CG2-OG 3.25Å
134	E	65.9	Low	77.9	Confident	175 Å²	175	101.4 Å²	101.4	82%	0.818	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	141.6	172	-72.7	-179.5	161.7	0	0	110.9
135	N	70.5	Confident	77.9	Confident	145 Å²	145	104.4 Å²	104.4	78%	0.775	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	39.2	-172.3	-50.5	-44.4	0	0	0	116.8	V133 K137	V133-N135 PolarHBondContact O-N 3.01Å; N135-K137 PolarHBondContact O-N 2.91Å
136	E	65.6	Low	78.2	Confident	181 Å²	181	109.1 Å²	109.1	85%	0.846	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	14.2	173	-56.8	-175.4	157.9	0	0	115.1
137	K	70.7	Confident	78.7	Confident	154 Å²	154	109.4 Å²	109.4	67%	0.67	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	121.5	177.8	-72.1	-176.1	-178.5	179.4	0	109.8	V133 N135	V133-K137 WeakPolarHBondContact CA-O 3.18Å; V133-K137 VanDerWaalsContact CB-O 3.29Å; V133-K137 WeakPolarHBondContact CB-O 3.13Å; V133-K137 PolarHBondContact N-O 3.02Å; N135-K137 PolarHBondContact O-N 2.91Å
138	N	75.4	Confident	79.4	Confident	113 Å²	113	106.4 Å²	106.4	60%	0.604	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.7	168.3	-66.6	-25.9	0	0	0	109.2	I130	I130-N138 HydrophobicContact CG2-CB 4.23Å
139	S	77.2	Confident	80.1	Confident	44 Å²	44	101 Å²	101	31%	0.308	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.4	166.9	64.3	0	0	0	0	109.6	S131 V133	S131-S139 PolarHBondContact N-O 3.47Å; S131-S139 PolarHBondContact O-N 3.24Å; S131-S139 PolarHBondContact O-OG 3.02Å; S131-S139 PolarHBondContact OG-OG 3.3Å; V133-S139 WeakPolarHBondContact CG2-OG 3.25Å
140	I	80.6	Confident	80.9	Confident	119 Å²	119	100 Å²	100	61%	0.61	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	115.6	173.8	-56.2	176.8	0	0	0	107.6	H128 I129 I130	H128-I140 HydrophobicContact CB-CG2 4.24Å; I129-I140 WeakPolarHBondContact O-CA 3.22Å; I130-I140 HydrophobicContact CG1-CG1 4.42Å
141	R	83.8	Confident	81.6	Confident	166 Å²	166	95.8 Å²	95.8	63%	0.626	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.6	171.5	-176.9	178.3	177.6	-174.5	-0.4	109.7	I129	I129-R141 PolarHBondContact N-O 3.28Å; I129-R141 PolarHBondContact O-N 3.14Å
142	E	83.9	Confident	82.5	Confident	89 Å²	89	93.4 Å²	93.4	42%	0.416	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	126.4	171.1	-170.2	175.2	110.4	0	0	109.9	K126 H128	K126-E142 HydrophobicContact CB-CG 4.03Å; K126-E142 VanDerWaalsContact CD-CD 3.4Å; K126-E142 HydrophobicContact CD-CG 4.19Å; K126-E142 WeakPolarHBondContact CD-OE1 3.31Å; K126-E142 WeakPolarHBondContact CE-OE1 3.49Å; K126-E142 HydrophobicContact CG-CG 4.22Å; K126-E142 IonicContact NZ-OE1 3.9Å; K126-E142 PolarHBondContact NZ-OE1 2.63Å; K126-E142 IonicContact NZ-OE2 3.56Å; H128-E142 IonicContact CE1-OE2 3.54Å
143	E	84.6	Confident	83.5	Confident	55 Å²	55	86.2 Å²	86.2	26%	0.257	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121	169.3	-76.6	-172	178.8	0	0	110.3	K127 I129 R145	K127-E143 PolarHBondContact N-O 2.8Å; K127-E143 PolarHBondContact O-N 2.9Å; I129-E143 HydrophobicContact CD1-CB 4.4Å; I129-E143 HydrophobicContact CD1-CG 3.69Å; I129-E143 WeakPolarHBondContact CD1-OE1 3.36Å; I129-E143 WeakPolarHBondContact CD1-OE2 3.21Å; I129-E143 HydrophobicContact CG1-CG 4.5Å; E143-R145 IonicContact OE2-CZ 3.39Å; E143-R145 IonicContact OE2-NE 2.86Å; E143-R145 PolarHBondContact OE2-NE 3.07Å; E143-R145 IonicContact OE2-NH2 2.84Å; E143-R145 PolarHBondContact OE2-NH2 3.05Å
144	S	85.2	Confident	84.8	Confident	94 Å²	94	82.9 Å²	82.9	66%	0.657	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.2	167.9	-51.2	0	0	0	0	110.4	T125	T125-S144 CarbonylContact O-C 3.58Å; T125-S144 WeakPolarHBondContact O-CA 3.29Å
145	R	86	Confident	86	Confident	114 Å²	114	78.2 Å²	78.2	43%	0.43	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.1	176.4	-63.6	-174	-179.4	-153.8	-4.8	110.1	T125 E143	T125-R145 PolarHBondContact N-O 3.32Å; T125-R145 PolarHBondContact O-N 3.24Å; T125-R145 PolarHBondContact OG1-O 2.82Å; E143-R145 IonicContact OE2-CZ 3.39Å; E143-R145 IonicContact OE2-NE 2.86Å; E143-R145 PolarHBondContact OE2-NE 3.07Å; E143-R145 IonicContact OE2-NH2 2.84Å; E143-R145 PolarHBondContact OE2-NH2 3.05Å
146	T	87.8	Confident	86.9	Confident	103 Å²	103	71.4 Å²	71.4	63%	0.632	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	133.9	174.2	-51.8	0	0	0	0	110.5	C123	C123-T146 CarbonylContact O-C 3.48Å; C123-T146 WeakPolarHBondContact O-CA 3.18Å
147	K	91.6	Very high	87.9	Confident	86 Å²	86	65.2 Å²	65.2	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.4	174.3	-63.3	-178.9	-174.9	171.8	0	109.7	I90 S122 C123 T125	I90-K147 HydrophobicContact CG2-CB 4.11Å; I90-K147 HydrophobicContact CG2-CD 4.23Å; S122-K147 WeakPolarHBondContact CA-O 3.28Å; C123-K147 PolarHBondContact N-O 3.04Å; C123-K147 PolarHBondContact O-N 3.12Å; T125-K147 HydrophobicContact CG2-CD 4.01Å; T125-K147 HydrophobicContact CG2-CG 4.46Å; T125-K147 WeakPolarHBondContact OG1-CE 3.17Å
148	G	93	Very high	87.7	Confident	37 Å²	37	60.4 Å²	60.4	38%	0.381	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	152.2	166.1	0	0	0	0	0	111.2	G91	G91-G148 PolarHBondContact N-O 2.88Å
149	A	95.3	Very high	87.2	Confident	4 Å²	4	57.6 Å²	57.6	3%	0.033	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.5	175.6	0	0	0	0	0	111.9	G89 I90 T120 S121 C123	G89-A149 CarbonylContact O-C 3.6Å; G89-A149 WeakPolarHBondContact O-CA 3.32Å; I90-A149 HydrophobicContact CG1-CB 4.18Å; T120-A149 WeakPolarHBondContact CA-O 3.49Å; S121-A149 PolarHBondContact N-O 2.8Å; S121-A149 PolarHBondContact O-N 3.16Å; C123-A149 HydrophobicContact CB-CB 4.43Å
150	I	96.8	Very high	86.1	Confident	23 Å²	23	64.4 Å²	64.4	12%	0.118	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.8	168.1	-168.4	173.6	0	0	0	109.2	H88 G89 I95 T98 Y119 V152	H88-I150 WeakPolarHBondContact CA-O 3.49Å; G89-I150 PolarHBondContact N-O 3.34Å; G89-I150 PolarHBondContact O-N 2.89Å; I95-I150 HydrophobicContact CB-CG2 4.12Å; I95-I150 HydrophobicContact CG1-CB 4.26Å; I95-I150 HydrophobicContact CG1-CG2 3.92Å; I95-I150 HydrophobicContact CG2-CB 4.28Å; I95-I150 HydrophobicContact CG2-CG2 4.05Å; T98-I150 HydrophobicContact CG2-CG2 3.9Å; Y119-I150 CarbonylContact O-C 3.56Å; Y119-I150 WeakPolarHBondContact O-CA 3.47Å; I150-V152 HydrophobicContact CD1-CG2 4.19Å; I150-V152 HydrophobicContact CG1-CG2 4.15Å
151	H	96.6	Very high	84.4	Confident	29 Å²	29	64.6 Å²	64.6	13%	0.134	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.5	173.5	-44.5	-94.3	0	0	0	107.5	W86 H88 T118 Y119 S121	W86-H151 HydrophobicContact CE3-CB 4.15Å; W86-H151 HydrophobicContact CZ3-CB 4.16Å; H88-H151 AromaticContact CE1-ND1 3.51Å; H88-H151 AromaticContact ND1-CG 3.64Å; H88-H151 AromaticContact ND1-ND1 2.99Å; H88-H151 PolarHBondContact ND1-ND1 2.82Å; T118-H151 CarbonylContact C-O 3.58Å; T118-H151 WeakPolarHBondContact CA-O 3.3Å; Y119-H151 PolarHBondContact N-O 3.47Å; Y119-H151 PolarHBondContact O-N 3.16Å; S121-H151 WeakPolarHBondContact CB-NE2 3.48Å; S121-H151 PolarHBondContact OG-NE2 2.89Å
152	V	97.7	Very high	82.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	112.8	179.2	-173.8	0	0	0	0	107.4	W86 I87 T98 A102 I116 S117 T118 I150 I154	W86-V152 WeakPolarHBondContact CA-O 3.4Å; I87-V152 HydrophobicContact CD1-CB 4.17Å; I87-V152 HydrophobicContact CD1-CG1 4.48Å; I87-V152 HydrophobicContact CD1-CG2 4.45Å; I87-V152 HydrophobicContact CG1-CB 3.57Å; I87-V152 HydrophobicContact CG1-CG1 4.26Å; I87-V152 HydrophobicContact CG1-CG2 4.11Å; I87-V152 PolarHBondContact N-O 3.47Å; I87-V152 PolarHBondContact O-N 3Å; T98-V152 HydrophobicContact CG2-CG2 3.78Å; A102-V152 HydrophobicContact CB-CG1 3.96Å; A102-V152 HydrophobicContact CB-CG2 4.49Å; I116-V152 HydrophobicContact CG2-CG1 3.48Å; I116-V152 VanDerWaalsContact CG2-CG1 3.48Å; S117-V152 CarbonylContact O-C 3.59Å; S117-V152 WeakPolarHBondContact O-CA 3.28Å; T118-V152 HydrophobicContact CG2-CG1 4.28Å; T118-V152 HydrophobicContact CG2-CG2 4.15Å; I150-V152 HydrophobicContact CD1-CG2 4.19Å; I150-V152 HydrophobicContact CG1-CG2 4.15Å; V152-I154 HydrophobicContact CG1-CG1 4.1Å
153	H	96.4	Very high	80.2	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123	172.4	-175.5	-157.9	0	0	0	108.7	E84 W86 I116 S117 Y119 R155	E84-H153 VanDerWaalsContact CD-NE2 3.31Å; E84-H153 IonicContact OE1-NE2 3.73Å; E84-H153 IonicContact OE2-CE1 3.23Å; E84-H153 PolarHBondContact OE2-CE1 2.93Å; E84-H153 VanDerWaalsContact OE2-CE1 3.23Å; E84-H153 IonicContact OE2-NE2 2.78Å; E84-H153 PolarHBondContact OE2-NE2 2.91Å; W86-H153 HydrophobicContact CD2-CB 4.16Å; W86-H153 AromaticContact CE2-CD2 3.54Å; W86-H153 AromaticContact CE2-CG 3.94Å; W86-H153 HydrophobicContact CE3-CB 3.86Å; W86-H153 HydrophobicContact CH2-CB 3.7Å; W86-H153 AromaticContact CH2-CG 3.9Å; W86-H153 HydrophobicContact CZ2-CB 3.97Å; W86-H153 AromaticContact CZ2-CD2 3.68Å; W86-H153 AromaticContact CZ2-CG 3.69Å; W86-H153 HydrophobicContact CZ3-CB 3.64Å; W86-H153 AromaticContact NE1-CD2 3.74Å; I116-H153 WeakPolarHBondContact CA-O 3.17Å; S117-H153 PolarHBondContact N-O 3.38Å; S117-H153 PolarHBondContact O-N 3.44Å; Y119-H153 HydrophobicContact CE2-CB 4Å; H153-R155 PolarHBondContact CE1-NE 3.47Å; H153-R155 PolarHBondContact ND1-NE 3.06Å; H153-R155 VanDerWaalsContact ND1-NE 3.15Å; H153-R155 PolarHBondContact ND1-NH2 3.25Å
154	I	95.5	Very high	77.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.8	-179.9	-59.3	172.6	0	0	0	107.6	E84 F85 I87 L105 L114 I116 V152	E84-I154 VanDerWaalsContact CA-O 3.25Å; E84-I154 WeakPolarHBondContact CA-O 3.3Å; F85-I154 HydrophobicContact CD1-CB 4.13Å; F85-I154 HydrophobicContact CD1-CG2 4.23Å; F85-I154 HydrophobicContact CD2-CD1 4.41Å; F85-I154 HydrophobicContact CE1-CB 3.72Å; F85-I154 HydrophobicContact CE1-CD1 4.42Å; F85-I154 HydrophobicContact CE1-CG2 3.44Å; F85-I154 VanDerWaalsContact CE1-CG2 3.44Å; F85-I154 HydrophobicContact CE2-CB 4.17Å; F85-I154 HydrophobicContact CE2-CD1 3.55Å; F85-I154 HydrophobicContact CE2-CG1 4.37Å; F85-I154 HydrophobicContact CE2-CG2 4.49Å; F85-I154 HydrophobicContact CZ-CB 3.75Å; F85-I154 HydrophobicContact CZ-CD1 3.56Å; F85-I154 HydrophobicContact CZ-CG1 4.23Å; F85-I154 HydrophobicContact CZ-CG2 3.6Å; F85-I154 PolarHBondContact N-O 3.41Å; F85-I154 PolarHBondContact O-N 2.95Å; I87-I154 HydrophobicContact CD1-CD1 4.04Å; I87-I154 HydrophobicContact CG1-CD1 4.13Å; I87-I154 HydrophobicContact CG2-CD1 4.16Å; L105-I154 HydrophobicContact CD1-CD1 4.18Å; L114-I154 HydrophobicContact CB-CG2 4.29Å; L114-I154 HydrophobicContact CD1-CG2 4.22Å; L114-I154 HydrophobicContact CD2-CG2 3.83Å; L114-I154 HydrophobicContact CG-CG2 4.34Å; I116-I154 HydrophobicContact CG1-CG1 4.4Å; V152-I154 HydrophobicContact CG1-CG1 4.1Å
155	R	92.3	Very high	75.5	Confident	76 Å²	76	69.3 Å²	69.3	29%	0.287	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.1	173.7	-69.3	-177.5	-116.5	-179.8	-10.7	109.7	E84 K115 H153	E84-R155 HydrophobicContact CB-CG 3.89Å; K115-R155 HydrophobicContact CB-CB 4.4Å; K115-R155 PolarHBondContact N-O 3.03Å; K115-R155 PolarHBondContact O-N 2.94Å; H153-R155 PolarHBondContact CE1-NE 3.47Å; H153-R155 PolarHBondContact ND1-NE 3.06Å; H153-R155 VanDerWaalsContact ND1-NE 3.15Å; H153-R155 PolarHBondContact ND1-NH2 3.25Å
156	L	89.8	Confident	73.6	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.016	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.7	173.4	-83.6	67.6	0	0	0	109.8	L67 L68 P82 S83 F85 H113 L114	L67-L156 HydrophobicContact CB-CD1 4.28Å; L67-L156 HydrophobicContact CB-CD2 3.49Å; L67-L156 VanDerWaalsContact CB-CD2 3.49Å; L67-L156 HydrophobicContact CD1-CD1 3.93Å; L68-L156 HydrophobicContact CB-CD2 4.44Å; L68-L156 HydrophobicContact CD2-CD2 3.7Å; L68-L156 HydrophobicContact CD2-CG 4.29Å; L68-L156 HydrophobicContact CG-CD2 3.74Å; P82-L156 WeakPolarHBondContact CB-O 3.47Å; S83-L156 WeakPolarHBondContact O-CD1 3.33Å; S83-L156 PolarHBondContact O-N 2.86Å; F85-L156 HydrophobicContact CE1-CD1 4.28Å; H113-L156 CarbonylContact O-C 3.59Å; H113-L156 WeakPolarHBondContact O-CA 3.18Å; L114-L156 HydrophobicContact CD2-CD1 4.15Å; L114-L156 HydrophobicContact CD2-CG 4.24Å
157	V	84.9	Confident	72.8	Confident	51 Å²	51	71.7 Å²	71.7	31%	0.309	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-95.6	129.2	175.2	-177.7	0	0	0	0	108.4	H113 K115 T159	H113-V157 PolarHBondContact O-N 3.21Å; K115-V157 HydrophobicContact CB-CG2 3.81Å; V157-T159 PolarHBondContact O-N 3.34Å; V157-T159 VanDerWaalsContact O-N 3.16Å
158	P	66.8	Low	71.9	Confident	52 Å²	52	70.9 Å²	70.9	34%	0.338	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-58.6	117	169.6	-6	11.5	0	0	0	109.9	Y71 R160	Y71-P158 HydrophobicContact CE1-CB 3.93Å; Y71-P158 WeakPolarHBondContact OH-CB 3.37Å; Y71-P158 WeakPolarHBondContact OH-CG 3.37Å; P158-R160 PolarHBondContact O-N 3.39Å
159	T	64.8	Low	70.7	Confident	55 Å²	55	72.8 Å²	72.8	34%	0.337	40%	0.402	S	S	.	.			trans	-85.8	8.7	170.2	41.8	0	0	0	0	114	H72 H113 V157 N161	H72-T159 PolarHBondContact CE1-OG1 3.06Å; H113-T159 WeakPolarHBondContact CE1-CG2 3.32Å; H113-T159 WeakPolarHBondContact ND1-CG2 3.43Å; V157-T159 PolarHBondContact O-N 3.34Å; V157-T159 VanDerWaalsContact O-N 3.16Å; T159-N161 VanDerWaalsContact C-N 3.33Å; T159-N161 PolarHBondContact O-N 3.13Å
160	R	54.7	Low	69.2	Low	186 Å²	186	76.9 Å²	76.9	70%	0.702	42%	0.423	S	S	*	.	S	Bend	trans	-75.7	95.8	162.4	-71	-170.9	-179.1	175	4.4	106.8	P158 A162	P158-R160 PolarHBondContact O-N 3.39Å; R160-A162 PolarHBondContact O-N 3.17Å; R160-A162 VanDerWaalsContact O-N 3.12Å
161	N	43.9	Very low	67.5	Low	123 Å²	123	80.3 Å²	80.3	66%	0.658	44%	0.442	S	S	*	.			trans	-42.5	121.4	170.9	-78.5	-4.6	0	0	0	109.6	T159 E163	T159-N161 VanDerWaalsContact C-N 3.33Å; T159-N161 PolarHBondContact O-N 3.13Å; N161-E163 HydrophobicContact CB-CB 4.16Å; N161-E163 HydrophobicContact CB-CG 4.2Å; N161-E163 PolarHBondContact O-N 2.85Å
162	A	41.3	Very low	65.6	Low	101 Å²	101	83.7 Å²	83.7	84%	0.835	46%	0.463	S	S	*	.			trans	-68	55.9	154.6	0	0	0	0	0	109.4	R160	R160-A162 PolarHBondContact O-N 3.17Å; R160-A162 VanDerWaalsContact O-N 3.12Å
163	E	39.9	Very low	63.3	Low	136 Å²	136	89.6 Å²	89.6	64%	0.636	50%	0.495	S	S	*	.			trans	-106.3	67.1	163.6	-73.6	-177.2	163.4	0	0	107.2	N161 I165	N161-E163 HydrophobicContact CB-CB 4.16Å; N161-E163 HydrophobicContact CB-CG 4.2Å; N161-E163 PolarHBondContact O-N 2.85Å; E163-I165 HydrophobicContact CG-CD1 4.31Å
164	T	31.4	Very low	60.7	Low	141 Å²	141	95.8 Å²	95.8	87%	0.865	53%	0.53	S	S	*	.			trans	-88.3	80.9	138.1	-26.8	0	0	0	0	104.9
165	I	39.3	Very low	57.8	Low	125 Å²	125	103.8 Å²	103.8	64%	0.641	58%	0.575	S	S	*	*			trans	-91.8	133	155.3	-57.8	176.5	0	0	0	103	E163	E163-I165 HydrophobicContact CG-CD1 4.31Å
166	P	44.9	Very low	54.7	Low	196 Å²	196	106.3 Å²	106.3	100%	1.273	60%	0.601	S	S	*	*			trans	-49.2	0	-170	20.5	-34.5	0	0	0	114.2

Retrieved 166 of 166 residues in 45.5 ms (Link to these results)

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