A0A077Z0M1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z0M1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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	35.4	Very low	31.5	Very low	152 Å²	152	110.8 Å²	110.8	75%	0.749	54%	0.535	S	S	*	.				0	135.5	0	-72.5	169.3	147.8	0	0	110	K27	M1-K27 WeakPolarHBondContact O-CE 3.41Å
2	G	26.6	Very low	31.8	Very low	13 Å²	13	104.8 Å²	104.8	13%	0.134	52%	0.517	C	S	.	.	B	Isolated β-bridge	trans	-107.5	151	176.1	0	0	0	0	0	109.6	K27	G2-K27 VanDerWaalsContact CA-CE 3.5Å
3	Y	25.9	Very low	31.9	Very low	192 Å²	192	105.9 Å²	105.9	75%	0.753	53%	0.526	S	S	*	.			trans	-90.7	115.5	175.7	-57.2	-85.1	0	0	0	108.3	Y24	Y3-Y24 HydrophobicContact CD1-CE1 4.24Å; Y3-Y24 HydrophobicContact CE1-CE1 4.26Å
4	T	33.6	Very low	32.4	Very low	53 Å²	53	107.9 Å²	107.9	33%	0.325	54%	0.539	S	S	.	.			trans	-136.7	99.8	160.5	-46.5	0	0	0	0	109.8	L68	T4-L68 VanDerWaalsContact CB-O 3.25Å; T4-L68 WeakPolarHBondContact CB-O 3.18Å; T4-L68 HydrophobicContact CG2-CB 3.95Å; T4-L68 HydrophobicContact CG2-CD2 3.8Å; T4-L68 HydrophobicContact CG2-CG 4.36Å; T4-L68 PolarHBondContact OG1-O 2.83Å
5	I	36.3	Very low	32.8	Very low	117 Å²	117	104.8 Å²	104.8	60%	0.6	53%	0.526	S	S	*	.			trans	-76.1	135.2	172.7	-61.3	160	0	0	0	106.1	K7	I5-K7 PolarHBondContact O-N 3.26Å
6	L	38.3	Very low	32.9	Very low	22 Å²	22	99.3 Å²	99.3	12%	0.115	50%	0.497	C	S	.	.			trans	-65.9	89.3	160.7	-79.1	170.9	0	0	0	107	K8 I21 Y51 L68	L6-K8 PolarHBondContact O-N 3.36Å; L6-K8 VanDerWaalsContact O-N 3.16Å; L6-I21 HydrophobicContact CB-CB 4.18Å; L6-I21 HydrophobicContact CD1-CB 3.51Å; L6-I21 HydrophobicContact CD1-CD1 3.18Å; L6-I21 HydrophobicContact CD1-CG1 3.93Å; L6-I21 HydrophobicContact CD1-CG2 3.75Å; L6-I21 HydrophobicContact CG-CB 4.29Å; L6-I21 HydrophobicContact CG-CG2 4.5Å; L6-Y51 HydrophobicContact CD2-CD1 4.28Å; L6-Y51 HydrophobicContact CD2-CD2 3.71Å; L6-Y51 HydrophobicContact CD2-CE1 3.84Å; L6-Y51 HydrophobicContact CD2-CE2 3.27Å; L6-Y51 HydrophobicContact CD2-CG 4.22Å; L6-L68 HydrophobicContact CD2-CD1 4.35Å
7	K	29.9	Very low	33.1	Very low	163 Å²	163	104.4 Å²	104.4	71%	0.709	51%	0.509	S	S	*	.			trans	-71	112.1	-166	-166.6	178.2	-176.6	-179.7	0	108.3	I5 T9	I5-K7 PolarHBondContact O-N 3.26Å; K7-T9 PolarHBondContact O-N 3.02Å
8	K	31.2	Very low	33.5	Very low	137 Å²	137	100.4 Å²	100.4	60%	0.596	49%	0.489	S	S	*	.			trans	-53	103.2	162.4	-178	179.7	-179.5	177.7	0	108.5	L6	L6-K8 PolarHBondContact O-N 3.36Å; L6-K8 VanDerWaalsContact O-N 3.16Å
9	T	29	Very low	33.8	Very low	52 Å²	52	97.8 Å²	97.8	32%	0.319	48%	0.477	S	S	.	.			trans	-89.6	124.9	163.9	70.9	0	0	0	0	106.9	K7 Q11 A12	K7-T9 PolarHBondContact O-N 3.02Å; T9-Q11 PolarHBondContact O-N 2.67Å; T9-A12 PolarHBondContact O-N 3.05Å
10	N	31.3	Very low	34.1	Very low	148 Å²	148	98.2 Å²	98.2	79%	0.791	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	9	172.9	-74.9	-19.6	0	0	0	112.4
11	Q	28.9	Very low	34.9	Very low	170 Å²	170	94 Å²	94	79%	0.794	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	26.2	174.2	-69.8	-170.1	-17.4	0	0	112.1	T9 N13	T9-Q11 PolarHBondContact O-N 2.67Å; Q11-N13 PolarHBondContact O-N 3.19Å
12	A	35.2	Very low	35.5	Very low	38 Å²	38	93.5 Å²	93.5	31%	0.314	46%	0.459	S	S	.	.			trans	-67.4	88.7	163.2	0	0	0	0	0	108.3	T9 N14 E16	T9-A12 PolarHBondContact O-N 3.05Å; A12-N14 VanDerWaalsContact C-N 3.32Å; A12-N14 PolarHBondContact O-N 2.76Å; A12-E16 HydrophobicContact CB-CB 4.43Å; A12-E16 WeakPolarHBondContact CB-O 3.37Å
13	N	32.8	Very low	36.8	Very low	120 Å²	120	93.5 Å²	93.5	64%	0.642	46%	0.46	S	S	*	.			trans	-55.2	100.8	167	-77.4	-24.7	0	0	0	107.8	Q11 D15	Q11-N13 PolarHBondContact O-N 3.19Å; N13-D15 VanDerWaalsContact C-N 3.3Å; N13-D15 PolarHBondContact O-N 2.8Å
14	N	39.1	Very low	38.2	Very low	133 Å²	133	86.8 Å²	86.8	71%	0.711	43%	0.433	S	S	*	.	S	Bend	trans	51.8	-13.6	165.9	-67.8	-25.8	0	0	0	122.4	A12 R95	A12-N14 VanDerWaalsContact C-N 3.32Å; A12-N14 PolarHBondContact O-N 2.76Å; N14-R95 VanDerWaalsContact O-CZ 3.3Å; N14-R95 PolarHBondContact O-NE 3.28Å; N14-R95 PolarHBondContact O-NH2 3.28Å
15	D	38.5	Very low	39.9	Very low	62 Å²	62	84.7 Å²	84.7	33%	0.332	42%	0.42	S	S	.	.	S	Bend	trans	-127.5	2.5	-172.3	-72.6	-39	0	0	0	118	N13 R95	N13-D15 VanDerWaalsContact C-N 3.3Å; N13-D15 PolarHBondContact O-N 2.8Å; D15-R95 WeakPolarHBondContact O-CA 3.31Å; D15-R95 VanDerWaalsContact O-CB 3.27Å; D15-R95 WeakPolarHBondContact O-CB 3.42Å; D15-R95 WeakPolarHBondContact O-CD 3.47Å; D15-R95 WeakPolarHBondContact O-CG 3.47Å; D15-R95 IonicContact OD1-NE 3.63Å
16	E	34.8	Very low	41.4	Very low	16 Å²	16	79.4 Å²	79.4	8%	0.075	39%	0.394	C	S	.	.			trans	-128.2	119.4	174	-63.3	-170.7	155.9	0	0	111.6	A12 Y18 N48 R49	A12-E16 HydrophobicContact CB-CB 4.43Å; A12-E16 WeakPolarHBondContact CB-O 3.37Å; E16-Y18 HydrophobicContact CB-CE2 3.9Å; E16-Y18 PolarHBondContact OE2-OH 2.02Å; E16-N48 VanDerWaalsContact OE1-CA 3.25Å; E16-N48 WeakPolarHBondContact OE1-CA 3.28Å; E16-R49 PolarHBondContact OE1-N 3.36Å
17	R	36	Very low	42.9	Very low	186 Å²	186	85.4 Å²	85.4	70%	0.702	42%	0.419	S	S	*	.			trans	-114.6	109.9	167	-72.5	-167.7	178.9	-172.2	-0.5	107.9	I19 F97	R17-I19 PolarHBondContact O-N 2.81Å; R17-F97 WeakPolarHBondContact O-CB 3.22Å
18	Y	40.5	Very low	45.2	Very low	34 Å²	34	79.6 Å²	79.6	13%	0.133	40%	0.399	C	S	.	.			trans	-78.2	113.5	170.3	-60.7	-85.6	0	0	0	108.1	E16 R49 Y51	E16-Y18 HydrophobicContact CB-CE2 3.9Å; E16-Y18 PolarHBondContact OE2-OH 2.02Å; Y18-R49 WeakPolarHBondContact OH-CD 3.43Å; Y18-Y51 AromaticContact CE1-CE2 3.93Å; Y18-Y51 HydrophobicContact CE1-CE2 3.93Å
19	I	39	Very low	47.4	Very low	51 Å²	51	75.4 Å²	75.4	26%	0.262	39%	0.386	S	S	.	.			trans	-87.4	124.3	166.2	-53.6	-179.2	0	0	0	105.2	R17 I21 F97 E104	R17-I19 PolarHBondContact O-N 2.81Å; I19-I21 PolarHBondContact O-N 2.74Å; I19-F97 HydrophobicContact CB-CD2 4.05Å; I19-F97 HydrophobicContact CB-CE2 4.4Å; I19-F97 HydrophobicContact CD1-CD2 3.98Å; I19-F97 HydrophobicContact CD1-CE2 3.78Å; I19-F97 HydrophobicContact CD1-CZ 4.3Å; I19-F97 HydrophobicContact CG1-CD2 4.06Å; I19-F97 HydrophobicContact CG1-CE2 4.34Å; I19-E104 VanDerWaalsContact CG2-OE2 3.26Å; I19-E104 WeakPolarHBondContact CG2-OE2 3.38Å
20	D	40.2	Very low	49.8	Very low	104 Å²	104	79.5 Å²	79.5	56%	0.556	41%	0.406	S	S	*	.			trans	-44.6	121.7	-159.2	-61.5	-57.6	0	0	0	114.4	I22	D20-I22 HydrophobicContact CB-CD1 4.42Å; D20-I22 HydrophobicContact CB-CG1 4.33Å
21	I	50.1	Low	51.6	Low	10 Å²	10	75.3 Å²	75.3	5%	0.051	39%	0.388	C	S	.	.			trans	-106.1	114.7	163.9	-73.1	166.4	0	0	0	109	L6 I19 V84 Y98 L121	L6-I21 HydrophobicContact CB-CB 4.18Å; L6-I21 HydrophobicContact CD1-CB 3.51Å; L6-I21 HydrophobicContact CD1-CD1 3.18Å; L6-I21 HydrophobicContact CD1-CG1 3.93Å; L6-I21 HydrophobicContact CD1-CG2 3.75Å; L6-I21 HydrophobicContact CG-CB 4.29Å; L6-I21 HydrophobicContact CG-CG2 4.5Å; I19-I21 PolarHBondContact O-N 2.74Å; I21-V84 HydrophobicContact CD1-CG1 3.64Å; I21-V84 HydrophobicContact CG1-CG1 4.38Å; I21-Y98 HydrophobicContact CD1-CG 4.26Å; I21-Y98 WeakPolarHBondContact CD1-O 2.83Å; I21-Y98 WeakPolarHBondContact CG1-O 3.01Å; I21-L121 HydrophobicContact CG2-CD1 3.42Å; I21-L121 VanDerWaalsContact CG2-CD1 3.42Å
22	I	47.8	Very low	53.4	Low	142 Å²	142	70 Å²	70	73%	0.728	36%	0.364	S	S	*	.			trans	-117.5	106.3	-179.6	-52.5	174.4	0	0	0	106.6	D20	D20-I22 HydrophobicContact CB-CD1 4.42Å; D20-I22 HydrophobicContact CB-CG1 4.33Å
23	G	53.5	Low	54.9	Low	14 Å²	14	74.3 Å²	74.3	14%	0.144	39%	0.392	C	S	.	.			trans	-163.8	170.4	172.9	0	0	0	0	0	110.7
24	Y	57.4	Low	56.6	Low	51 Å²	51	72 Å²	72	20%	0.2	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-97.4	149	179.1	-65.1	-82.3	0	0	0	111.5	Y3 L121 W122 K124	Y3-Y24 HydrophobicContact CD1-CE1 4.24Å; Y3-Y24 HydrophobicContact CE1-CE1 4.26Å; Y24-L121 WeakPolarHBondContact O-CD2 2.97Å; Y24-W122 PolarHBondContact N-O 3.18Å; Y24-K124 HydrophobicContact CE2-CB 3.64Å; Y24-K124 HydrophobicContact CE2-CG 3.97Å; Y24-K124 VanDerWaalsContact OH-CD 3.28Å; Y24-K124 WeakPolarHBondContact OH-CD 3.21Å; Y24-K124 WeakPolarHBondContact OH-CG 3.28Å
25	T	68	Low	58.1	Low	9 Å²	9	66.5 Å²	66.5	6%	0.055	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-113.6	151.3	163.5	57.5	0	0	0	0	109.6	L68 Y70 L121	T25-L68 PolarHBondContact OG1-O 3.43Å; T25-Y70 CarbonylContact C-O 3.53Å; T25-Y70 WeakPolarHBondContact CA-O 3.42Å; T25-L121 HydrophobicContact CG2-CD2 4.13Å
26	A	68.2	Low	59.9	Low	5 Å²	5	69 Å²	69	4%	0.041	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-74.7	150.9	170.6	0	0	0	0	0	110.5	L37 G69 Y70 W122	A26-L37 HydrophobicContact CB-CD1 3.48Å; A26-L37 VanDerWaalsContact CB-CD1 3.48Å; A26-G69 WeakPolarHBondContact O-CA 3.45Å; A26-Y70 PolarHBondContact N-O 3.37Å; A26-Y70 PolarHBondContact O-N 3.5Å; A26-W122 HydrophobicContact CB-CH2 4.14Å; A26-W122 HydrophobicContact CB-CZ3 4.19Å
27	K	70.5	Confident	61.9	Low	148 Å²	148	69.1 Å²	69.1	64%	0.643	38%	0.383	S	S	*	.	S	Bend	trans	-80.3	-25.3	179.1	-72.4	-174.6	169	177.5	0	112.6	M1 G2	M1-K27 WeakPolarHBondContact O-CE 3.41Å; G2-K27 VanDerWaalsContact CA-CE 3.5Å
28	S	77.3	Confident	64	Low	42 Å²	42	62 Å²	62	29%	0.294	36%	0.36	S	S	.	.	S	Bend	trans	-138.8	159.1	-179.4	71.1	0	0	0	0	109.4	D30 S31	S28-D30 PolarHBondContact O-N 3.14Å; S28-S31 PolarHBondContact N-OG 2.9Å; S28-S31 VanDerWaalsContact N-OG 3.11Å; S28-S31 WeakPolarHBondContact O-CB 3.29Å; S28-S31 PolarHBondContact O-N 3.14Å; S28-S31 PolarHBondContact O-OG 3.15Å; S28-S31 PolarHBondContact OG-N 3.29Å; S28-S31 PolarHBondContact OG-OG 3.22Å
29	P	78.1	Confident	66	Low	48 Å²	48	62.5 Å²	62.5	31%	0.312	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.7	176.8	25.7	-31	0	0	0	112.1	L37 Y70	P29-L37 WeakPolarHBondContact O-CD1 3.32Å; P29-L37 WeakPolarHBondContact O-CG 3.32Å; P29-Y70 HydrophobicContact CB-CD1 3.78Å; P29-Y70 HydrophobicContact CB-CE1 3.73Å; P29-Y70 HydrophobicContact CG-CD1 4.45Å; P29-Y70 HydrophobicContact CG-CE1 3.97Å
30	D	78.1	Confident	67.9	Low	138 Å²	138	60.3 Å²	60.3	74%	0.738	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	5.8	-177.5	-43.8	-62.7	0	0	0	113.6	S28 M32	S28-D30 PolarHBondContact O-N 3.14Å; D30-M32 PolarHBondContact O-N 2.93Å
31	S	69.6	Low	69.6	Low	60 Å²	60	55.3 Å²	55.3	42%	0.42	33%	0.325	S	S	.	.	S	Bend	trans	-63.9	-13.8	-177.3	-68.4	0	0	0	0	113.5	S28	S28-S31 PolarHBondContact N-OG 2.9Å; S28-S31 VanDerWaalsContact N-OG 3.11Å; S28-S31 WeakPolarHBondContact O-CB 3.29Å; S28-S31 PolarHBondContact O-N 3.14Å; S28-S31 PolarHBondContact O-OG 3.15Å; S28-S31 PolarHBondContact OG-N 3.29Å; S28-S31 PolarHBondContact OG-OG 3.22Å
32	M	66.4	Low	70.8	Confident	59 Å²	59	55.9 Å²	55.9	29%	0.291	33%	0.327	S	S	.	.	S	Bend	trans	-132	107.5	-179.1	-65.7	-84.1	-68	0	0	108.7	D30 C35 L37 W122	D30-M32 PolarHBondContact O-N 2.93Å; M32-C35 HydrophobicContact CB-CB 3.65Å; M32-C35 WeakPolarHBondContact O-CB 3.43Å; M32-C35 PolarHBondContact O-N 3.11Å; M32-L37 HydrophobicContact CB-CD1 4.07Å; M32-L37 HydrophobicContact CB-CG 4.5Å; M32-L37 HydrophobicContact CG-CD1 4.09Å; M32-W122 HydrophobicContact CE-CZ2 4.05Å; M32-W122 HydrophobicContact CG-CH2 4.46Å; M32-W122 HydrophobicContact CG-CZ2 4.02Å
33	S	66.3	Low	72	Confident	128 Å²	128	49.8 Å²	49.8	90%	0.895	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	137.7	176.5	-176	0	0	0	0	111	C35	S33-C35 PolarHBondContact O-N 3.2Å
34	G	69.7	Low	72.9	Confident	72 Å²	72	51.1 Å²	51.1	74%	0.742	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-0.4	-178.8	0	0	0	0	0	114.9
35	C	70.3	Confident	73.3	Confident	18 Å²	18	49.2 Å²	49.2	12%	0.122	30%	0.295	C	S	.	.			trans	-106.6	122.9	-179.1	-91	0	0	0	0	111.7	M32 S33 L37 C78	M32-C35 HydrophobicContact CB-CB 3.65Å; M32-C35 WeakPolarHBondContact O-CB 3.43Å; M32-C35 PolarHBondContact O-N 3.11Å; S33-C35 PolarHBondContact O-N 3.2Å; C35-L37 VanDerWaalsContact C-N 3.34Å; C35-L37 HydrophobicContact CB-CD2 3.65Å; C35-L37 HydrophobicContact CB-CG 4.04Å; C35-L37 PolarHBondContact O-N 2.83Å; C35-C78 WeakPolarHBondContact CA-SG 3.37Å; C35-C78 HydrophobicContact CB-CB 4.37Å; C35-C78 WeakPolarHBondContact CB-SG 3.5Å; C35-C78 WeakPolarHBondContact SG-CB 3.25Å; C35-C78 CovalentContact SG-SG 2.02Å; C35-C78 PolarHBondContact SG-SG 2.98Å
36	N	76.1	Confident	73.4	Confident	114 Å²	114	59.9 Å²	59.9	61%	0.61	34%	0.335	S	S	*	.			trans	-79.2	86.3	168.4	-75.2	-16.7	0	0	0	109.2	P73 L77	N36-P73 WeakPolarHBondContact O-CD 3.45Å; N36-L77 HydrophobicContact CB-CD1 4.3Å
37	L	77.2	Confident	73.1	Confident	19 Å²	19	66.1 Å²	66.1	10%	0.099	36%	0.363	C	S	.	.			trans	-80.4	141.1	-179.9	-54.4	-172.5	0	0	0	111.6	A26 P29 M32 C35 A71 A72 W122	A26-L37 HydrophobicContact CB-CD1 3.48Å; A26-L37 VanDerWaalsContact CB-CD1 3.48Å; P29-L37 WeakPolarHBondContact O-CD1 3.32Å; P29-L37 WeakPolarHBondContact O-CG 3.32Å; M32-L37 HydrophobicContact CB-CD1 4.07Å; M32-L37 HydrophobicContact CB-CG 4.5Å; M32-L37 HydrophobicContact CG-CD1 4.09Å; C35-L37 VanDerWaalsContact C-N 3.34Å; C35-L37 HydrophobicContact CB-CD2 3.65Å; C35-L37 HydrophobicContact CB-CG 4.04Å; C35-L37 PolarHBondContact O-N 2.83Å; L37-A71 CarbonylContact C-O 3.57Å; L37-A71 WeakPolarHBondContact CA-O 3.46Å; L37-A72 HydrophobicContact CD2-CB 4.49Å; L37-W122 HydrophobicContact CD1-CH2 4.07Å; L37-W122 HydrophobicContact CD2-CH2 3.63Å; L37-W122 HydrophobicContact CD2-CZ2 3.65Å
38	V	79.8	Confident	72.5	Confident	36 Å²	36	61.4 Å²	61.4	22%	0.218	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.5	-179.7	-66.4	0	0	0	0	109.6	V53 Y70 A71 P73	V38-V53 HydrophobicContact CB-CG1 3.52Å; V38-V53 HydrophobicContact CG1-CG1 4.02Å; V38-V53 HydrophobicContact CG2-CB 4.3Å; V38-V53 HydrophobicContact CG2-CG1 3.28Å; V38-V53 HydrophobicContact CG2-CG2 4.18Å; V38-Y70 CarbonylContact O-C 3.58Å; V38-Y70 VanDerWaalsContact O-CA 3.32Å; V38-Y70 WeakPolarHBondContact O-CA 3.46Å; V38-A71 VanDerWaalsContact CG2-O 3.29Å; V38-A71 WeakPolarHBondContact CG2-O 3.35Å; V38-A71 PolarHBondContact N-O 2.98Å; V38-A71 PolarHBondContact O-N 2.93Å; V38-P73 HydrophobicContact CG1-CB 4.33Å; V38-P73 HydrophobicContact CG1-CG 4.15Å; V38-P73 HydrophobicContact CG2-CB 4.11Å; V38-P73 HydrophobicContact CG2-CG 4.41Å
39	K	82.9	Confident	71.7	Confident	45 Å²	45	63.6 Å²	63.6	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139	178.9	-171.4	-170.7	-72.2	-167	0	110	V41 V53 G54 E55 D67 G69 Y70	K39-V41 HydrophobicContact CB-CG2 4.48Å; K39-V41 HydrophobicContact CD-CG2 3.5Å; K39-V41 VanDerWaalsContact CD-CG2 3.5Å; K39-V41 HydrophobicContact CG-CG2 3.83Å; K39-V53 CarbonylContact O-C 3.58Å; K39-G54 PolarHBondContact O-N 2.78Å; K39-E55 IonicContact NZ-OE1 2.98Å; K39-E55 PolarHBondContact NZ-OE1 2.75Å; K39-D67 WeakPolarHBondContact CD-OD2 3.32Å; K39-D67 WeakPolarHBondContact CE-OD2 3.16Å; K39-D67 IonicContact NZ-OD2 2.83Å; K39-D67 PolarHBondContact NZ-OD2 2.87Å; K39-G69 CarbonylContact C-O 3.52Å; K39-G69 WeakPolarHBondContact CA-O 3.38Å; K39-Y70 HydrophobicContact CB-CD1 4.08Å; K39-Y70 HydrophobicContact CB-CE1 3.88Å; K39-Y70 HydrophobicContact CG-CE1 4.34Å
40	I	78.3	Confident	71.1	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.3	168.2	-55.7	-58	0	0	0	108.2	T52 V53 L68 G69 A71 F119	I40-T52 WeakPolarHBondContact CA-O 2.97Å; I40-V53 HydrophobicContact CD1-CG2 3.82Å; I40-L68 HydrophobicContact CB-CB 4.24Å; I40-L68 HydrophobicContact CG2-CB 4.12Å; I40-L68 HydrophobicContact CG2-CD1 4.05Å; I40-L68 HydrophobicContact CG2-CG 4.43Å; I40-L68 PolarHBondContact O-N 3.08Å; I40-G69 PolarHBondContact N-O 3.14Å; I40-A71 HydrophobicContact CD1-CB 4.01Å; I40-A71 HydrophobicContact CG1-CB 3.84Å; I40-F119 HydrophobicContact CD1-CB 4.13Å; I40-F119 HydrophobicContact CD1-CD1 3.96Å; I40-F119 HydrophobicContact CD1-CD2 4.22Å; I40-F119 HydrophobicContact CD1-CE1 4.43Å; I40-F119 HydrophobicContact CD1-CG 3.85Å
41	V	75.7	Confident	70.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129	-175.2	-177.8	0	0	0	0	109.6	K39 W43 Y51 T52 G54 R64	K39-V41 HydrophobicContact CB-CG2 4.48Å; K39-V41 HydrophobicContact CD-CG2 3.5Å; K39-V41 VanDerWaalsContact CD-CG2 3.5Å; K39-V41 HydrophobicContact CG-CG2 3.83Å; V41-W43 HydrophobicContact CG1-CZ2 4.15Å; V41-Y51 VanDerWaalsContact O-CA 3.32Å; V41-Y51 WeakPolarHBondContact O-CA 3.2Å; V41-T52 PolarHBondContact N-O 3.36Å; V41-T52 PolarHBondContact O-N 3.28Å; V41-G54 WeakPolarHBondContact CG2-O 3.47Å; V41-R64 HydrophobicContact CG1-CG 3.75Å
42	E	76.6	Confident	70.8	Confident	21 Å²	21	54.2 Å²	54.2	10%	0.098	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.6	167.7	-173.8	-176.1	-107.9	0	0	110.4	T44 R49 K50 Y51 G65 D66	E42-T44 HydrophobicContact CG-CG2 4.22Å; E42-R49 WeakPolarHBondContact OE1-CD 3.32Å; E42-R49 IonicContact OE1-CZ 3.53Å; E42-R49 IonicContact OE1-NH1 3.83Å; E42-R49 PolarHBondContact OE1-NH1 2.83Å; E42-K50 CarbonylContact C-O 3.53Å; E42-Y51 HydrophobicContact CB-CD1 3.93Å; E42-Y51 HydrophobicContact CB-CE1 3.91Å; E42-Y51 HydrophobicContact CG-CD1 4.04Å; E42-Y51 HydrophobicContact CG-CE1 3.62Å; E42-G65 WeakPolarHBondContact O-CA 3.44Å; E42-G65 PolarHBondContact O-N 2.68Å; E42-D66 PolarHBondContact N-O 2.83Å; E42-D66 VanDerWaalsContact N-O 3.08Å
43	W	72	Confident	71.1	Confident	14 Å²	14	52 Å²	52	5%	0.053	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.5	170.4	-64.3	90.4	0	0	0	109.4	V41 R49 K50 T52 K57 P58 W62 K63 R64	V41-W43 HydrophobicContact CG1-CZ2 4.15Å; W43-R49 CarbonylContact O-C 3.55Å; W43-R49 VanDerWaalsContact O-CA 3.22Å; W43-R49 WeakPolarHBondContact O-CA 3.38Å; W43-K50 HydrophobicContact CB-CB 4.47Å; W43-K50 PolarHBondContact N-O 3.22Å; W43-K50 PolarHBondContact O-N 3.19Å; W43-T52 PolarHBondContact NE1-OG1 3.39Å; W43-K57 HydrophobicContact CE3-CB 4.44Å; W43-K57 HydrophobicContact CE3-CG 4Å; W43-K57 HydrophobicContact CH2-CB 3.51Å; W43-K57 HydrophobicContact CH2-CD 4.3Å; W43-K57 HydrophobicContact CH2-CG 3.84Å; W43-K57 HydrophobicContact CZ2-CB 3.86Å; W43-K57 HydrophobicContact CZ2-CG 4.44Å; W43-K57 HydrophobicContact CZ3-CB 3.83Å; W43-K57 HydrophobicContact CZ3-CD 3.9Å; W43-K57 HydrophobicContact CZ3-CG 3.57Å; W43-P58 HydrophobicContact CB-CG 4.09Å; W43-P58 VanDerWaalsContact CD2-CD 3.49Å; W43-P58 HydrophobicContact CD2-CG 4.43Å; W43-P58 VanDerWaalsContact CG-CD 3.47Å; W43-P58 HydrophobicContact CG-CG 3.92Å; W43-W62 HydrophobicContact CB-CB 4.32Å; W43-W62 HydrophobicContact CB-CD2 4.47Å; W43-W62 HydrophobicContact CB-CE3 3.82Å; W43-W62 HydrophobicContact CE3-CB 4.12Å; W43-K63 CarbonylContact C-O 3.56Å; W43-K63 WeakPolarHBondContact CA-O 3.21Å; W43-R64 HydrophobicContact CE3-CB 4.01Å; W43-R64 HydrophobicContact CE3-CG 4.47Å; W43-R64 HydrophobicContact CH2-CB 3.94Å; W43-R64 HydrophobicContact CH2-CG 3.98Å; W43-R64 HydrophobicContact CZ2-CG 4.28Å; W43-R64 HydrophobicContact CZ3-CB 3.59Å; W43-R64 HydrophobicContact CZ3-CG 4.09Å
44	T	73.1	Confident	71.3	Confident	43 Å²	43	46.9 Å²	46.9	26%	0.264	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.7	-179.1	60.3	0	0	0	0	111.5	E42 N48 R49 W62 K63	E42-T44 HydrophobicContact CG-CG2 4.22Å; T44-N48 CarbonylContact C-O 3.47Å; T44-N48 WeakPolarHBondContact CA-O 3.41Å; T44-R49 HydrophobicContact CG2-CG 4.23Å; T44-W62 WeakPolarHBondContact O-CA 3.31Å; T44-K63 PolarHBondContact N-O 3.18Å; T44-K63 PolarHBondContact O-N 3.21Å
45	A	65.5	Low	71.5	Confident	11 Å²	11	47.9 Å²	47.9	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	114.9	173.3	0	0	0	0	0	109.4	H47 N48 N61 W62	A45-H47 PolarHBondContact O-N 2.84Å; A45-H47 VanDerWaalsContact O-N 3.13Å; A45-N48 PolarHBondContact N-O 3.42Å; A45-N48 WeakPolarHBondContact O-CB 3.25Å; A45-N48 PolarHBondContact O-N 2.75Å; A45-N48 PolarHBondContact O-ND2 3.22Å; A45-N61 WeakPolarHBondContact CB-O 3.46Å; A45-W62 HydrophobicContact CB-CD2 3.56Å; A45-W62 HydrophobicContact CB-CE3 3.55Å; A45-W62 HydrophobicContact CB-CG 4.09Å; A45-W62 HydrophobicContact CB-CH2 4.13Å; A45-W62 HydrophobicContact CB-CZ2 4.14Å; A45-W62 HydrophobicContact CB-CZ3 3.85Å
46	W	69.4	Low	71.5	Confident	232 Å²	232	51.5 Å²	51.5	88%	0.879	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	-113.6	-172.3	-59.5	85.8	0	0	0	111.1
47	H	62.5	Low	71.3	Confident	137 Å²	137	51.4 Å²	51.4	63%	0.634	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	3.8	177.9	-56.2	-55.5	0	0	0	113.2	A45	A45-H47 PolarHBondContact O-N 2.84Å; A45-H47 VanDerWaalsContact O-N 3.13Å
48	N	58.9	Low	70.8	Confident	49 Å²	49	51.5 Å²	51.5	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	149	-177.2	-55.8	-77.8	0	0	0	111.8	E16 T44 A45 W62	E16-N48 VanDerWaalsContact OE1-CA 3.25Å; E16-N48 WeakPolarHBondContact OE1-CA 3.28Å; T44-N48 CarbonylContact C-O 3.47Å; T44-N48 WeakPolarHBondContact CA-O 3.41Å; A45-N48 PolarHBondContact N-O 3.42Å; A45-N48 WeakPolarHBondContact O-CB 3.25Å; A45-N48 PolarHBondContact O-N 2.75Å; A45-N48 PolarHBondContact O-ND2 3.22Å; N48-W62 HydrophobicContact CB-CH2 3.66Å; N48-W62 HydrophobicContact CB-CZ3 4.13Å
49	R	60.3	Low	70.3	Confident	87 Å²	87	57 Å²	57	33%	0.328	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.7	170.6	-50.1	-167.8	-177.8	-159.5	-0.1	110.2	E16 Y18 E42 W43 T44	E16-R49 PolarHBondContact OE1-N 3.36Å; Y18-R49 WeakPolarHBondContact OH-CD 3.43Å; E42-R49 WeakPolarHBondContact OE1-CD 3.32Å; E42-R49 IonicContact OE1-CZ 3.53Å; E42-R49 IonicContact OE1-NH1 3.83Å; E42-R49 PolarHBondContact OE1-NH1 2.83Å; W43-R49 CarbonylContact O-C 3.55Å; W43-R49 VanDerWaalsContact O-CA 3.22Å; W43-R49 WeakPolarHBondContact O-CA 3.38Å; T44-R49 HydrophobicContact CG2-CG 4.23Å
50	K	65.7	Low	69.8	Low	20 Å²	20	57.2 Å²	57.2	9%	0.087	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.5	171.3	-76	-176.4	178.3	-168.4	0	108.7	E42 W43 P58 W62	E42-K50 CarbonylContact C-O 3.53Å; W43-K50 HydrophobicContact CB-CB 4.47Å; W43-K50 PolarHBondContact N-O 3.22Å; W43-K50 PolarHBondContact O-N 3.19Å; K50-P58 HydrophobicContact CB-CG 4.47Å; K50-P58 HydrophobicContact CD-CB 4.27Å; K50-P58 HydrophobicContact CD-CG 4.2Å; K50-W62 HydrophobicContact CB-CE3 4.48Å; K50-W62 HydrophobicContact CB-CH2 4.25Å; K50-W62 HydrophobicContact CB-CZ3 3.99Å; K50-W62 HydrophobicContact CD-CH2 3.55Å; K50-W62 HydrophobicContact CD-CZ2 3.58Å; K50-W62 HydrophobicContact CD-CZ3 4.07Å; K50-W62 VanDerWaalsContact CE-CZ2 3.47Å; K50-W62 HydrophobicContact CG-CH2 3.51Å; K50-W62 HydrophobicContact CG-CZ2 4.11Å; K50-W62 HydrophobicContact CG-CZ3 3.77Å
51	Y	71.7	Confident	69.8	Low	10 Å²	10	63.8 Å²	63.8	4%	0.039	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.2	174.4	-50	-72.3	0	0	0	108.4	L6 Y18 V41 E42 L68 Y98	L6-Y51 HydrophobicContact CD2-CD1 4.28Å; L6-Y51 HydrophobicContact CD2-CD2 3.71Å; L6-Y51 HydrophobicContact CD2-CE1 3.84Å; L6-Y51 HydrophobicContact CD2-CE2 3.27Å; L6-Y51 HydrophobicContact CD2-CG 4.22Å; Y18-Y51 AromaticContact CE1-CE2 3.93Å; Y18-Y51 HydrophobicContact CE1-CE2 3.93Å; V41-Y51 VanDerWaalsContact O-CA 3.32Å; V41-Y51 WeakPolarHBondContact O-CA 3.2Å; E42-Y51 HydrophobicContact CB-CD1 3.93Å; E42-Y51 HydrophobicContact CB-CE1 3.91Å; E42-Y51 HydrophobicContact CG-CD1 4.04Å; E42-Y51 HydrophobicContact CG-CE1 3.62Å; Y51-L68 HydrophobicContact CD1-CD1 3.36Å; Y51-L68 HydrophobicContact CE1-CD1 3.59Å; Y51-L68 HydrophobicContact CG-CD1 4.23Å; Y51-Y98 AromaticContact CD2-CD2 3.74Å; Y51-Y98 HydrophobicContact CD2-CD2 3.74Å; Y51-Y98 AromaticContact CD2-CE2 3.35Å; Y51-Y98 HydrophobicContact CD2-CE2 3.35Å; Y51-Y98 AromaticContact CD2-CZ 3.89Å; Y51-Y98 HydrophobicContact CE2-CD2 4.25Å; Y51-Y98 HydrophobicContact CE2-CE2 4.08Å; Y51-Y98 HydrophobicContact CG-CE2 4.29Å; Y51-Y98 PolarHBondContact N-OH 3.13Å; Y51-Y98 PolarHBondContact O-OH 3.42Å
52	T	69.2	Low	70	Confident	20 Å²	20	65.2 Å²	65.2	12%	0.123	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.3	179.8	62.3	0	0	0	0	110.3	I40 V41 W43 G54 P58	I40-T52 WeakPolarHBondContact CA-O 2.97Å; V41-T52 PolarHBondContact N-O 3.36Å; V41-T52 PolarHBondContact O-N 3.28Å; W43-T52 PolarHBondContact NE1-OG1 3.39Å; T52-G54 PolarHBondContact OG1-O 2.76Å; T52-P58 HydrophobicContact CG2-CG 4.1Å
53	V	72.3	Confident	70.3	Confident	13 Å²	13	71.8 Å²	71.8	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.8	162.2	170	0	0	0	0	108.4	V38 K39 I40 N56 Q117 F119	V38-V53 HydrophobicContact CB-CG1 3.52Å; V38-V53 HydrophobicContact CG1-CG1 4.02Å; V38-V53 HydrophobicContact CG2-CB 4.3Å; V38-V53 HydrophobicContact CG2-CG1 3.28Å; V38-V53 HydrophobicContact CG2-CG2 4.18Å; K39-V53 CarbonylContact O-C 3.58Å; I40-V53 HydrophobicContact CD1-CG2 3.82Å; V53-N56 PolarHBondContact O-ND2 2.75Å; V53-Q117 HydrophobicContact CB-CB 4.28Å; V53-Q117 HydrophobicContact CG2-CB 4.36Å; V53-F119 HydrophobicContact CG2-CB 3.83Å; V53-F119 HydrophobicContact CG2-CD1 4.27Å; V53-F119 HydrophobicContact CG2-CG 4.46Å
54	G	70.2	Confident	70.8	Confident	19 Å²	19	75.9 Å²	75.9	20%	0.196	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-170	-176.8	0	0	0	0	0	114.1	K39 V41 T52 N56	K39-G54 PolarHBondContact O-N 2.78Å; V41-G54 WeakPolarHBondContact CG2-O 3.47Å; T52-G54 PolarHBondContact OG1-O 2.76Å; G54-N56 PolarHBondContact O-N 2.63Å
55	E	74.2	Confident	71.2	Confident	94 Å²	94	74.8 Å²	74.8	44%	0.439	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	21.3	178	-61	-68	159.2	0	0	112.6	K39 K57 R64	K39-E55 IonicContact NZ-OE1 2.98Å; K39-E55 PolarHBondContact NZ-OE1 2.75Å; E55-K57 VanDerWaalsContact C-N 3.32Å; E55-K57 PolarHBondContact O-N 2.72Å; E55-R64 IonicContact OE1-CZ 3.65Å; E55-R64 IonicContact OE1-NE 2.76Å; E55-R64 IonicContact OE1-NH2 3.1Å; E55-R64 PolarHBondContact OE1-NH2 2.97Å; E55-R64 IonicContact OE2-CZ 3.53Å; E55-R64 IonicContact OE2-NE 3.39Å; E55-R64 PolarHBondContact OE2-NE 2.8Å; E55-R64 IonicContact OE2-NH2 2.63Å; E55-R64 PolarHBondContact OE2-NH2 3.2Å
56	N	69.3	Low	71.9	Confident	94 Å²	94	79.9 Å²	79.9	50%	0.503	40%	0.395	S	S	.	.			trans	-71.3	85.5	-177.6	-70.6	-31.7	0	0	0	110.5	V53 G54	V53-N56 PolarHBondContact O-ND2 2.75Å; G54-N56 PolarHBondContact O-N 2.63Å
57	K	73	Confident	72.3	Confident	112 Å²	112	72.2 Å²	72.2	49%	0.487	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-55.4	129.4	178.5	179.3	173.8	171.9	179.6	0	111	W43 E55 G60 W62	W43-K57 HydrophobicContact CE3-CB 4.44Å; W43-K57 HydrophobicContact CE3-CG 4Å; W43-K57 HydrophobicContact CH2-CB 3.51Å; W43-K57 HydrophobicContact CH2-CD 4.3Å; W43-K57 HydrophobicContact CH2-CG 3.84Å; W43-K57 HydrophobicContact CZ2-CB 3.86Å; W43-K57 HydrophobicContact CZ2-CG 4.44Å; W43-K57 HydrophobicContact CZ3-CB 3.83Å; W43-K57 HydrophobicContact CZ3-CD 3.9Å; W43-K57 HydrophobicContact CZ3-CG 3.57Å; E55-K57 VanDerWaalsContact C-N 3.32Å; E55-K57 PolarHBondContact O-N 2.72Å; K57-G60 WeakPolarHBondContact CE-O 3.48Å; K57-W62 WeakPolarHBondContact CE-O 3.27Å; K57-W62 PolarHBondContact NZ-O 2.99Å
58	P	67.1	Low	72.7	Confident	20 Å²	20	66.8 Å²	66.8	13%	0.13	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-64.8	147.1	171.2	-17.4	29.2	0	0	0	111.8	W43 K50 T52 G60 W62	W43-P58 HydrophobicContact CB-CG 4.09Å; W43-P58 VanDerWaalsContact CD2-CD 3.49Å; W43-P58 HydrophobicContact CD2-CG 4.43Å; W43-P58 VanDerWaalsContact CG-CD 3.47Å; W43-P58 HydrophobicContact CG-CG 3.92Å; K50-P58 HydrophobicContact CB-CG 4.47Å; K50-P58 HydrophobicContact CD-CB 4.27Å; K50-P58 HydrophobicContact CD-CG 4.2Å; T52-P58 HydrophobicContact CG2-CG 4.1Å; P58-G60 PolarHBondContact O-N 3.49Å; P58-W62 HydrophobicContact CB-CD2 4.17Å; P58-W62 HydrophobicContact CB-CG 3.9Å; P58-W62 HydrophobicContact CG-CD2 4.25Å; P58-W62 HydrophobicContact CG-CG 4.13Å
59	N	67.8	Low	73.6	Confident	151 Å²	151	65 Å²	65	81%	0.807	34%	0.34	S	S	*	.	S	Bend	trans	-56.6	135.1	177.2	-70.8	-25.7	0	0	0	111.8	W62	N59-W62 PolarHBondContact O-NE1 3.37Å
60	G	72.6	Confident	74.5	Confident	50 Å²	50	63.2 Å²	63.2	52%	0.515	33%	0.334	S	S	.	.	S	Bend	trans	100.4	-158.8	178.4	0	0	0	0	0	115.2	K57 P58 W62	K57-G60 WeakPolarHBondContact CE-O 3.48Å; P58-G60 PolarHBondContact O-N 3.49Å; G60-W62 PolarHBondContact O-N 2.87Å
61	N	79.1	Confident	74.9	Confident	143 Å²	143	62.3 Å²	62.3	77%	0.765	33%	0.33	S	S	*	.	S	Bend	trans	-83.1	53.5	-171.7	-69.7	-15.4	0	0	0	113.1	A45	A45-N61 WeakPolarHBondContact CB-O 3.46Å
62	W	79.1	Confident	75	Confident	30 Å²	30	61.9 Å²	61.9	11%	0.114	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-87.7	133.8	173.5	-64.5	85.6	0	0	0	110.9	W43 T44 A45 N48 K50 K57 P58 N59 G60	W43-W62 HydrophobicContact CB-CB 4.32Å; W43-W62 HydrophobicContact CB-CD2 4.47Å; W43-W62 HydrophobicContact CB-CE3 3.82Å; W43-W62 HydrophobicContact CE3-CB 4.12Å; T44-W62 WeakPolarHBondContact O-CA 3.31Å; A45-W62 HydrophobicContact CB-CD2 3.56Å; A45-W62 HydrophobicContact CB-CE3 3.55Å; A45-W62 HydrophobicContact CB-CG 4.09Å; A45-W62 HydrophobicContact CB-CH2 4.13Å; A45-W62 HydrophobicContact CB-CZ2 4.14Å; A45-W62 HydrophobicContact CB-CZ3 3.85Å; N48-W62 HydrophobicContact CB-CH2 3.66Å; N48-W62 HydrophobicContact CB-CZ3 4.13Å; K50-W62 HydrophobicContact CB-CE3 4.48Å; K50-W62 HydrophobicContact CB-CH2 4.25Å; K50-W62 HydrophobicContact CB-CZ3 3.99Å; K50-W62 HydrophobicContact CD-CH2 3.55Å; K50-W62 HydrophobicContact CD-CZ2 3.58Å; K50-W62 HydrophobicContact CD-CZ3 4.07Å; K50-W62 VanDerWaalsContact CE-CZ2 3.47Å; K50-W62 HydrophobicContact CG-CH2 3.51Å; K50-W62 HydrophobicContact CG-CZ2 4.11Å; K50-W62 HydrophobicContact CG-CZ3 3.77Å; K57-W62 WeakPolarHBondContact CE-O 3.27Å; K57-W62 PolarHBondContact NZ-O 2.99Å; P58-W62 HydrophobicContact CB-CD2 4.17Å; P58-W62 HydrophobicContact CB-CG 3.9Å; P58-W62 HydrophobicContact CG-CD2 4.25Å; P58-W62 HydrophobicContact CG-CG 4.13Å; N59-W62 PolarHBondContact O-NE1 3.37Å; G60-W62 PolarHBondContact O-N 2.87Å
63	K	82.6	Confident	75	Confident	159 Å²	159	62.2 Å²	62.2	69%	0.691	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.7	170.7	-66.3	-175.4	-180	-178.3	0	108.9	W43 T44	W43-K63 CarbonylContact C-O 3.56Å; W43-K63 WeakPolarHBondContact CA-O 3.21Å; T44-K63 PolarHBondContact N-O 3.18Å; T44-K63 PolarHBondContact O-N 3.21Å
64	R	84	Confident	74.4	Confident	99 Å²	99	66.9 Å²	66.9	37%	0.374	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.5	174.9	-164.5	-173.9	-178.2	-71.3	6	109.4	V41 W43 E55 D67	V41-R64 HydrophobicContact CG1-CG 3.75Å; W43-R64 HydrophobicContact CE3-CB 4.01Å; W43-R64 HydrophobicContact CE3-CG 4.47Å; W43-R64 HydrophobicContact CH2-CB 3.94Å; W43-R64 HydrophobicContact CH2-CG 3.98Å; W43-R64 HydrophobicContact CZ2-CG 4.28Å; W43-R64 HydrophobicContact CZ3-CB 3.59Å; W43-R64 HydrophobicContact CZ3-CG 4.09Å; E55-R64 IonicContact OE1-CZ 3.65Å; E55-R64 IonicContact OE1-NE 2.76Å; E55-R64 IonicContact OE1-NH2 3.1Å; E55-R64 PolarHBondContact OE1-NH2 2.97Å; E55-R64 IonicContact OE2-CZ 3.53Å; E55-R64 IonicContact OE2-NE 3.39Å; E55-R64 PolarHBondContact OE2-NE 2.8Å; E55-R64 IonicContact OE2-NH2 2.63Å; E55-R64 PolarHBondContact OE2-NH2 3.2Å; R64-D67 IonicContact CZ-OD1 3.37Å; R64-D67 IonicContact NH1-OD1 2.95Å; R64-D67 PolarHBondContact NH1-OD1 2.82Å; R64-D67 IonicContact NH2-OD1 3.85Å; R64-D67 PolarHBondContact NH2-OD1 2.83Å; R64-D67 IonicContact NH2-OD2 2.72Å
65	G	81.8	Confident	73.6	Confident	20 Å²	20	73.1 Å²	73.1	21%	0.206	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-144.9	172.3	0	0	0	0	0	111.4	E42	E42-G65 WeakPolarHBondContact O-CA 3.44Å; E42-G65 PolarHBondContact O-N 2.68Å
66	D	79.1	Confident	72.5	Confident	118 Å²	118	78.3 Å²	78.3	63%	0.631	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	153.8	-175.3	-67.7	-31.6	0	0	0	113.6	E42	E42-D66 PolarHBondContact N-O 2.83Å; E42-D66 VanDerWaalsContact N-O 3.08Å
67	D	77	Confident	71.8	Confident	71 Å²	71	78 Å²	78	38%	0.38	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.3	168.1	-70.4	13.7	0	0	0	108.3	K39 R64 G69	K39-D67 WeakPolarHBondContact CD-OD2 3.32Å; K39-D67 WeakPolarHBondContact CE-OD2 3.16Å; K39-D67 IonicContact NZ-OD2 2.83Å; K39-D67 PolarHBondContact NZ-OD2 2.87Å; R64-D67 IonicContact CZ-OD1 3.37Å; R64-D67 IonicContact NH1-OD1 2.95Å; R64-D67 PolarHBondContact NH1-OD1 2.82Å; R64-D67 IonicContact NH2-OD1 3.85Å; R64-D67 PolarHBondContact NH2-OD1 2.83Å; R64-D67 IonicContact NH2-OD2 2.72Å; D67-G69 VanDerWaalsContact C-N 3.28Å; D67-G69 PolarHBondContact O-N 3.13Å
68	L	71.6	Confident	71.1	Confident	24 Å²	24	73.7 Å²	73.7	13%	0.126	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-10.3	-178.6	-55.4	-172.2	0	0	0	112.8	T4 L6 T25 I40 Y51	T4-L68 VanDerWaalsContact CB-O 3.25Å; T4-L68 WeakPolarHBondContact CB-O 3.18Å; T4-L68 HydrophobicContact CG2-CB 3.95Å; T4-L68 HydrophobicContact CG2-CD2 3.8Å; T4-L68 HydrophobicContact CG2-CG 4.36Å; T4-L68 PolarHBondContact OG1-O 2.83Å; L6-L68 HydrophobicContact CD2-CD1 4.35Å; T25-L68 PolarHBondContact OG1-O 3.43Å; I40-L68 HydrophobicContact CB-CB 4.24Å; I40-L68 HydrophobicContact CG2-CB 4.12Å; I40-L68 HydrophobicContact CG2-CD1 4.05Å; I40-L68 HydrophobicContact CG2-CG 4.43Å; I40-L68 PolarHBondContact O-N 3.08Å; Y51-L68 HydrophobicContact CD1-CD1 3.36Å; Y51-L68 HydrophobicContact CE1-CD1 3.59Å; Y51-L68 HydrophobicContact CG-CD1 4.23Å
69	G	78.2	Confident	70.7	Confident	12 Å²	12	80.6 Å²	80.6	12%	0.124	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.8	-157.1	-179.5	0	0	0	0	0	111.8	A26 K39 I40 D67	A26-G69 WeakPolarHBondContact O-CA 3.45Å; K39-G69 CarbonylContact C-O 3.52Å; K39-G69 WeakPolarHBondContact CA-O 3.38Å; I40-G69 PolarHBondContact N-O 3.14Å; D67-G69 VanDerWaalsContact C-N 3.28Å; D67-G69 PolarHBondContact O-N 3.13Å
70	Y	78.1	Confident	70.4	Confident	49 Å²	49	74.4 Å²	74.4	19%	0.192	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.4	-177.5	-60.5	-100.8	0	0	0	110.7	T25 A26 P29 V38 K39 W122	T25-Y70 CarbonylContact C-O 3.53Å; T25-Y70 WeakPolarHBondContact CA-O 3.42Å; A26-Y70 PolarHBondContact N-O 3.37Å; A26-Y70 PolarHBondContact O-N 3.5Å; P29-Y70 HydrophobicContact CB-CD1 3.78Å; P29-Y70 HydrophobicContact CB-CE1 3.73Å; P29-Y70 HydrophobicContact CG-CD1 4.45Å; P29-Y70 HydrophobicContact CG-CE1 3.97Å; V38-Y70 CarbonylContact O-C 3.58Å; V38-Y70 VanDerWaalsContact O-CA 3.32Å; V38-Y70 WeakPolarHBondContact O-CA 3.46Å; K39-Y70 HydrophobicContact CB-CD1 4.08Å; K39-Y70 HydrophobicContact CB-CE1 3.88Å; K39-Y70 HydrophobicContact CG-CE1 4.34Å; Y70-W122 WeakPolarHBondContact O-CZ3 3.01Å
71	A	76	Confident	69.8	Low	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	168.5	178.3	0	0	0	0	0	109.9	L37 V38 I40 F119 L121	L37-A71 CarbonylContact C-O 3.57Å; L37-A71 WeakPolarHBondContact CA-O 3.46Å; V38-A71 VanDerWaalsContact CG2-O 3.29Å; V38-A71 WeakPolarHBondContact CG2-O 3.35Å; V38-A71 PolarHBondContact N-O 2.98Å; V38-A71 PolarHBondContact O-N 2.93Å; I40-A71 HydrophobicContact CD1-CB 4.01Å; I40-A71 HydrophobicContact CG1-CB 3.84Å; A71-F119 HydrophobicContact CB-CB 4.45Å; A71-F119 HydrophobicContact CB-CD2 4.09Å; A71-L121 HydrophobicContact CB-CD2 4.28Å
72	A	73	Confident	69	Low	1 Å²	1	73 Å²	73	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.7	170.6	0	0	0	0	0	109.3	L37 C78 A80 S120	L37-A72 HydrophobicContact CD2-CB 4.49Å; A72-C78 HydrophobicContact CB-CB 3.77Å; A72-A80 HydrophobicContact CB-CB 3.91Å; A72-S120 PolarHBondContact N-O 2.9Å; A72-S120 PolarHBondContact O-N 2.6Å
73	P	69.4	Low	68.4	Low	28 Å²	28	73.5 Å²	73.5	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	153.1	166.6	26.5	-30.7	0	0	0	109.2	N36 V38 E75	N36-P73 WeakPolarHBondContact O-CD 3.45Å; V38-P73 HydrophobicContact CG1-CB 4.33Å; V38-P73 HydrophobicContact CG1-CG 4.15Å; V38-P73 HydrophobicContact CG2-CB 4.11Å; V38-P73 HydrophobicContact CG2-CG 4.41Å; P73-E75 PolarHBondContact O-N 3.08Å
74	Y	60.2	Low	67.7	Low	111 Å²	111	66 Å²	66	44%	0.435	32%	0.322	S	S	.	.	S	Bend	trans	-69.7	85.3	174.9	179.8	-100.6	0	0	0	109.9	P83 Y85 P118	Y74-P83 HydrophobicContact CD2-CB 3.74Å; Y74-P83 HydrophobicContact CE2-CB 3.6Å; Y74-Y85 HydrophobicContact CD2-CE1 4.46Å; Y74-Y85 HydrophobicContact CE2-CE1 4.08Å; Y74-Y85 AromaticContact CE2-CZ 3.85Å; Y74-Y85 WeakPolarHBondContact CE2-OH 3.19Å; Y74-Y85 PolarHBondContact OH-OH 3.42Å; Y74-P118 WeakPolarHBondContact CB-O 3.44Å; Y74-P118 HydrophobicContact CD1-CB 4.39Å; Y74-P118 HydrophobicContact CD1-CG 3.89Å; Y74-P118 HydrophobicContact CD2-CB 4.48Å; Y74-P118 HydrophobicContact CG-CB 3.96Å; Y74-P118 HydrophobicContact CG-CG 3.91Å; Y74-P118 PolarHBondContact N-O 2.91Å
75	E	52.5	Low	66.8	Low	149 Å²	149	63.5 Å²	63.5	70%	0.696	31%	0.314	S	S	*	.	S	Bend	trans	-170	149.5	170.9	-103.4	158.8	-148.8	0	0	106	P73 L77	P73-E75 PolarHBondContact O-N 3.08Å; E75-L77 PolarHBondContact O-N 2.75Å
76	K	51.1	Low	65.9	Low	204 Å²	204	63.1 Å²	63.1	89%	0.887	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	31.2	-166	-68.1	178.8	174.9	175.4	0	116.5
77	L	55.1	Low	64.9	Low	88 Å²	88	58.4 Å²	58.4	46%	0.461	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.3	-173.9	-64.1	173.8	0	0	0	113.3	N36 E75	N36-L77 HydrophobicContact CB-CD1 4.3Å; E75-L77 PolarHBondContact O-N 2.75Å
78	C	57.9	Low	63.8	Low	20 Å²	20	57.5 Å²	57.5	14%	0.135	27%	0.273	C	S	.	.	S	Bend	trans	-138.1	152.9	-177.3	-69	0	0	0	0	111.3	C35 A72 A80	C35-C78 WeakPolarHBondContact CA-SG 3.37Å; C35-C78 HydrophobicContact CB-CB 4.37Å; C35-C78 WeakPolarHBondContact CB-SG 3.5Å; C35-C78 WeakPolarHBondContact SG-CB 3.25Å; C35-C78 CovalentContact SG-SG 2.02Å; C35-C78 PolarHBondContact SG-SG 2.98Å; A72-C78 HydrophobicContact CB-CB 3.77Å; C78-A80 HydrophobicContact CB-CB 4.21Å; C78-A80 PolarHBondContact O-N 2.76Å
79	E	57.8	Low	63	Low	166 Å²	166	57.7 Å²	57.7	78%	0.776	27%	0.274	S	S	*	.			trans	-63	23.6	166	-58.2	-173.6	167.8	0	0	113.5	K81	E79-K81 VanDerWaalsContact O-CG 3.28Å; E79-K81 WeakPolarHBondContact O-CG 3.02Å; E79-K81 PolarHBondContact O-N 3.35Å
80	A	62.2	Low	61.7	Low	21 Å²	21	60.4 Å²	60.4	17%	0.174	29%	0.286	C	S	.	.			trans	-62.6	117.7	172.4	0	0	0	0	0	108.7	A72 C78 S120	A72-A80 HydrophobicContact CB-CB 3.91Å; C78-A80 HydrophobicContact CB-CB 4.21Å; C78-A80 PolarHBondContact O-N 2.76Å; A80-S120 VanDerWaalsContact CB-CB 3.42Å
81	K	60.8	Low	60.3	Low	149 Å²	149	66.3 Å²	66.3	65%	0.648	31%	0.307	S	S	*	.			trans	-89.3	-20.8	-166.8	-60.7	-172.1	179.5	175	0	113.1	E79 L121	E79-K81 VanDerWaalsContact O-CG 3.28Å; E79-K81 WeakPolarHBondContact O-CG 3.02Å; E79-K81 PolarHBondContact O-N 3.35Å; K81-L121 PolarHBondContact N-O 2.95Å
82	I	62.1	Low	59	Low	14 Å²	14	76.3 Å²	76.3	7%	0.072	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	103.9	-168.5	-54.3	175.1	0	0	0	109.8	P100 S120 L121 A123 W127	I82-P100 HydrophobicContact CG2-CB 3.38Å; I82-P100 HydrophobicContact CG2-CG 4.04Å; I82-S120 CarbonylContact O-C 3.56Å; I82-S120 VanDerWaalsContact O-CA 3.25Å; I82-S120 WeakPolarHBondContact O-CA 3.09Å; I82-L121 PolarHBondContact N-O 3.44Å; I82-L121 PolarHBondContact O-N 3.3Å; I82-A123 HydrophobicContact CD1-CB 3.71Å; I82-A123 HydrophobicContact CG1-CB 4.25Å; I82-W127 HydrophobicContact CD1-CZ2 3.99Å; I82-W127 VanDerWaalsContact CD1-NE1 3.28Å
83	P	65.3	Low	58	Low	40 Å²	40	77.4 Å²	77.4	26%	0.26	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.5	170.7	32	-34.4	0	0	0	110.1	Y74 Y85 P100	Y74-P83 HydrophobicContact CD2-CB 3.74Å; Y74-P83 HydrophobicContact CE2-CB 3.6Å; P83-Y85 HydrophobicContact CB-CE2 3.71Å; P83-Y85 HydrophobicContact CG-CE2 3.88Å; P83-P100 VanDerWaalsContact O-CA 3.27Å; P83-P100 WeakPolarHBondContact O-CA 3.45Å; P83-P100 VanDerWaalsContact O-CB 3.31Å; P83-P100 WeakPolarHBondContact O-CB 3.47Å
84	V	68.6	Low	57.2	Low	1 Å²	1	82 Å²	82	1%	0.006	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129	178.9	-178.8	0	0	0	0	108.7	I21 Y98 P118 F119 L121	I21-V84 HydrophobicContact CD1-CG1 3.64Å; I21-V84 HydrophobicContact CG1-CG1 4.38Å; V84-Y98 HydrophobicContact CG1-CD1 4.46Å; V84-P118 WeakPolarHBondContact O-CA 3.43Å; V84-P118 WeakPolarHBondContact O-CB 3.39Å; V84-F119 WeakPolarHBondContact CA-O 3.25Å; V84-F119 HydrophobicContact CB-CD2 4.23Å; V84-F119 HydrophobicContact CB-CE2 3.95Å; V84-F119 HydrophobicContact CB-CZ 4.17Å; V84-F119 WeakPolarHBondContact CB-O 3.4Å; V84-F119 HydrophobicContact CG1-CE1 4.36Å; V84-F119 HydrophobicContact CG1-CE2 4.14Å; V84-F119 HydrophobicContact CG1-CZ 3.89Å; V84-F119 HydrophobicContact CG2-CE2 4.16Å; V84-F119 PolarHBondContact N-O 2.7Å; V84-F119 PolarHBondContact O-N 2.82Å; V84-L121 HydrophobicContact CG2-CB 4.45Å; V84-L121 HydrophobicContact CG2-CD1 3.72Å; V84-L121 HydrophobicContact CG2-CG 3.85Å
85	Y	65.8	Low	56.8	Low	48 Å²	48	79.3 Å²	79.3	19%	0.188	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.3	-177.1	-54.6	-90.9	0	0	0	110.1	Y74 P83 Y87 Y98 T99 P118	Y74-Y85 HydrophobicContact CD2-CE1 4.46Å; Y74-Y85 HydrophobicContact CE2-CE1 4.08Å; Y74-Y85 AromaticContact CE2-CZ 3.85Å; Y74-Y85 WeakPolarHBondContact CE2-OH 3.19Å; Y74-Y85 PolarHBondContact OH-OH 3.42Å; P83-Y85 HydrophobicContact CB-CE2 3.71Å; P83-Y85 HydrophobicContact CG-CE2 3.88Å; Y85-Y87 WeakPolarHBondContact O-CD2 3.41Å; Y85-Y98 CarbonylContact O-C 3.59Å; Y85-Y98 WeakPolarHBondContact O-CA 3.48Å; Y85-T99 PolarHBondContact N-O 2.95Å; Y85-T99 VanDerWaalsContact N-O 3.13Å; Y85-T99 PolarHBondContact O-N 3.01Å; Y85-P118 HydrophobicContact CD1-CB 3.84Å; Y85-P118 HydrophobicContact CE1-CB 4.17Å
86	L	61.8	Low	56.9	Low	12 Å²	12	74.1 Å²	74.1	6%	0.063	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.1	170.5	177.7	58.9	0	0	0	110.5	F97 Y98 E115	L86-F97 WeakPolarHBondContact CD1-O 3.48Å; L86-Y98 HydrophobicContact CB-CD1 3.79Å; L86-Y98 HydrophobicContact CB-CE1 3.58Å; L86-Y98 HydrophobicContact CB-CG 4.4Å; L86-Y98 HydrophobicContact CD1-CD1 4.11Å; L86-Y98 HydrophobicContact CD1-CD2 3.65Å; L86-Y98 HydrophobicContact CD1-CE1 3.87Å; L86-Y98 HydrophobicContact CD1-CE2 3.31Å; L86-Y98 HydrophobicContact CD1-CG 3.97Å; L86-Y98 VanDerWaalsContact CD1-CZ 3.41Å; L86-Y98 HydrophobicContact CD2-CE1 4.24Å; L86-Y98 WeakPolarHBondContact CD2-OH 3.34Å; L86-Y98 HydrophobicContact CG-CD1 4.48Å; L86-Y98 HydrophobicContact CG-CE1 4.08Å; L86-Y98 HydrophobicContact CG-CE2 4.33Å; L86-E115 WeakPolarHBondContact CD2-O 3.48Å
87	Y	58.7	Low	57.2	Low	18 Å²	18	64.5 Å²	64.5	7%	0.071	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.9	174.9	-65.8	-81.6	0	0	0	111.1	Y85 Y96 F97 T99 Q102 V105 F114	Y85-Y87 WeakPolarHBondContact O-CD2 3.41Å; Y87-Y96 WeakPolarHBondContact O-CA 3.07Å; Y87-F97 HydrophobicContact CD2-CE2 4.39Å; Y87-F97 HydrophobicContact CD2-CZ 4.27Å; Y87-F97 HydrophobicContact CG-CE1 4.26Å; Y87-F97 HydrophobicContact CG-CZ 4.18Å; Y87-F97 PolarHBondContact N-O 2.9Å; Y87-F97 PolarHBondContact O-N 3.02Å; Y87-T99 HydrophobicContact CD2-CG2 3.57Å; Y87-T99 HydrophobicContact CE2-CG2 3.53Å; Y87-Q102 WeakPolarHBondContact OH-CG 3.12Å; Y87-V105 HydrophobicContact CD1-CB 4.16Å; Y87-V105 HydrophobicContact CD1-CG1 3.58Å; Y87-V105 HydrophobicContact CD1-CG2 3.49Å; Y87-V105 VanDerWaalsContact CD1-CG2 3.49Å; Y87-V105 HydrophobicContact CD2-CG2 3.67Å; Y87-V105 HydrophobicContact CE1-CB 4.17Å; Y87-V105 HydrophobicContact CE1-CG1 3.85Å; Y87-V105 HydrophobicContact CE1-CG2 3.53Å; Y87-V105 HydrophobicContact CE2-CG2 3.64Å; Y87-V105 HydrophobicContact CG-CG1 4.29Å; Y87-V105 HydrophobicContact CG-CG2 3.57Å; Y87-F114 HydrophobicContact CD1-CD1 4.15Å; Y87-F114 AromaticContact CD1-CE1 3.52Å; Y87-F114 HydrophobicContact CD1-CE1 3.52Å; Y87-F114 AromaticContact CD1-CZ 4Å; Y87-F114 HydrophobicContact CD1-CZ 4Å; Y87-F114 HydrophobicContact CE1-CE1 4.25Å; Y87-F114 HydrophobicContact CE1-CZ 4.33Å; Y87-F114 HydrophobicContact CG-CE1 4.39Å
88	K	53.8	Low	57.6	Low	52 Å²	52	60.7 Å²	60.7	23%	0.226	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.1	175.2	-178.9	-176.9	168.9	-164.5	0	109.2	R95 Y96	K88-R95 CarbonylContact C-O 3.52Å; K88-R95 WeakPolarHBondContact CA-O 3.13Å; K88-Y96 HydrophobicContact CB-CD1 4.39Å; K88-Y96 HydrophobicContact CB-CE1 4.46Å; K88-Y96 HydrophobicContact CD-CE1 4.18Å; K88-Y96 HydrophobicContact CG-CD1 4.42Å; K88-Y96 HydrophobicContact CG-CE1 4.15Å
89	I	54.1	Low	57.8	Low	28 Å²	28	59.8 Å²	59.8	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128	175.9	-39.5	-149.9	0	0	0	107.8	R91 R95 F97 L109	I89-R91 HydrophobicContact CG2-CB 4.2Å; I89-R95 HydrophobicContact CB-CB 4.25Å; I89-R95 PolarHBondContact N-O 2.97Å; I89-R95 PolarHBondContact O-N 3.19Å; I89-F97 HydrophobicContact CD1-CD1 3.58Å; I89-F97 HydrophobicContact CD1-CE1 3.36Å; I89-F97 HydrophobicContact CD1-CZ 4.23Å; I89-F97 HydrophobicContact CG1-CD1 3.51Å; I89-F97 HydrophobicContact CG1-CE1 3.45Å; I89-F97 VanDerWaalsContact CG1-CE1 3.45Å; I89-L109 HydrophobicContact CB-CD1 3.85Å; I89-L109 HydrophobicContact CB-CD2 4.03Å; I89-L109 HydrophobicContact CB-CG 4.45Å; I89-L109 HydrophobicContact CD1-CD1 3.86Å; I89-L109 HydrophobicContact CG1-CD1 3.51Å; I89-L109 HydrophobicContact CG2-CD1 4.03Å; I89-L109 HydrophobicContact CG2-CD2 3.59Å; I89-L109 HydrophobicContact CG2-CG 4.15Å
90	D	51.5	Low	57.9	Low	70 Å²	70	53.6 Å²	53.6	37%	0.374	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	94.1	166	-160.3	-9.8	0	0	0	108.7	Y112	D90-Y112 HydrophobicContact CB-CD2 4.38Å; D90-Y112 HydrophobicContact CB-CE2 4Å
91	R	49	Very low	57.7	Low	172 Å²	172	55.3 Å²	55.3	65%	0.649	25%	0.247	S	C	*	.	S	Bend	trans	-127	-31.4	175.4	-162.5	177.5	175.1	174.7	-1.2	112.5	I89	I89-R91 HydrophobicContact CG2-CB 4.2Å
92	W	48.5	Very low	57.3	Low	210 Å²	210	52.9 Å²	52.9	80%	0.795	24%	0.238	S	C	*	.	S	Bend	trans	-154.5	25.8	-179.3	-62.5	106.4	0	0	0	112.2
93	G	51.8	Low	56.7	Low	25 Å²	25	55.7 Å²	55.7	26%	0.258	26%	0.255	S	S	.	.	S	Bend	trans	132.9	152.4	-162.6	0	0	0	0	0	110.7	R95	G93-R95 PolarHBondContact O-N 2.76Å; G93-R95 VanDerWaalsContact O-N 3.14Å
94	K	51.8	Low	55.8	Low	124 Å²	124	56 Å²	56	54%	0.539	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	104.5	-178.7	-66.4	177.9	-176.3	174.5	0	109	Y96	K94-Y96 HydrophobicContact CB-CE2 4.48Å
95	R	52.5	Low	54.7	Low	55 Å²	55	56.3 Å²	56.3	21%	0.208	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.3	175.2	-48.2	-159.4	172.2	152.8	-3.8	110.5	N14 D15 K88 I89 G93	N14-R95 VanDerWaalsContact O-CZ 3.3Å; N14-R95 PolarHBondContact O-NE 3.28Å; N14-R95 PolarHBondContact O-NH2 3.28Å; D15-R95 WeakPolarHBondContact O-CA 3.31Å; D15-R95 VanDerWaalsContact O-CB 3.27Å; D15-R95 WeakPolarHBondContact O-CB 3.42Å; D15-R95 WeakPolarHBondContact O-CD 3.47Å; D15-R95 WeakPolarHBondContact O-CG 3.47Å; D15-R95 IonicContact OD1-NE 3.63Å; K88-R95 CarbonylContact C-O 3.52Å; K88-R95 WeakPolarHBondContact CA-O 3.13Å; I89-R95 HydrophobicContact CB-CB 4.25Å; I89-R95 PolarHBondContact N-O 2.97Å; I89-R95 PolarHBondContact O-N 3.19Å; G93-R95 PolarHBondContact O-N 2.76Å; G93-R95 VanDerWaalsContact O-N 3.14Å
96	Y	55.2	Low	53.6	Low	40 Å²	40	59.3 Å²	59.3	16%	0.157	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138	175.9	-56.5	-90	0	0	0	109	Y87 K88 K94	Y87-Y96 WeakPolarHBondContact O-CA 3.07Å; K88-Y96 HydrophobicContact CB-CD1 4.39Å; K88-Y96 HydrophobicContact CB-CE1 4.46Å; K88-Y96 HydrophobicContact CD-CE1 4.18Å; K88-Y96 HydrophobicContact CG-CD1 4.42Å; K88-Y96 HydrophobicContact CG-CE1 4.15Å; K94-Y96 HydrophobicContact CB-CE2 4.48Å
97	F	57.9	Low	52.7	Low	1 Å²	1	66.1 Å²	66.1	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.5	169.7	77.9	-75.4	0	0	0	109.8	R17 I19 L86 Y87 I89 T99 V105 L109	R17-F97 WeakPolarHBondContact O-CB 3.22Å; I19-F97 HydrophobicContact CB-CD2 4.05Å; I19-F97 HydrophobicContact CB-CE2 4.4Å; I19-F97 HydrophobicContact CD1-CD2 3.98Å; I19-F97 HydrophobicContact CD1-CE2 3.78Å; I19-F97 HydrophobicContact CD1-CZ 4.3Å; I19-F97 HydrophobicContact CG1-CD2 4.06Å; I19-F97 HydrophobicContact CG1-CE2 4.34Å; L86-F97 WeakPolarHBondContact CD1-O 3.48Å; Y87-F97 HydrophobicContact CD2-CE2 4.39Å; Y87-F97 HydrophobicContact CD2-CZ 4.27Å; Y87-F97 HydrophobicContact CG-CE1 4.26Å; Y87-F97 HydrophobicContact CG-CZ 4.18Å; Y87-F97 PolarHBondContact N-O 2.9Å; Y87-F97 PolarHBondContact O-N 3.02Å; I89-F97 HydrophobicContact CD1-CD1 3.58Å; I89-F97 HydrophobicContact CD1-CE1 3.36Å; I89-F97 HydrophobicContact CD1-CZ 4.23Å; I89-F97 HydrophobicContact CG1-CD1 3.51Å; I89-F97 HydrophobicContact CG1-CE1 3.45Å; I89-F97 VanDerWaalsContact CG1-CE1 3.45Å; F97-T99 HydrophobicContact CD2-CG2 4.04Å; F97-T99 HydrophobicContact CE2-CG2 3.37Å; F97-T99 HydrophobicContact CZ-CG2 4.17Å; F97-V105 HydrophobicContact CZ-CG2 3.93Å; F97-L109 HydrophobicContact CE1-CD1 4.1Å
98	Y	62.2	Low	51.9	Low	8 Å²	8	69 Å²	69	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.3	174	-64.1	-108.5	0	0	0	106.6	I21 Y51 V84 Y85 L86 F119	I21-Y98 HydrophobicContact CD1-CG 4.26Å; I21-Y98 WeakPolarHBondContact CD1-O 2.83Å; I21-Y98 WeakPolarHBondContact CG1-O 3.01Å; Y51-Y98 AromaticContact CD2-CD2 3.74Å; Y51-Y98 HydrophobicContact CD2-CD2 3.74Å; Y51-Y98 AromaticContact CD2-CE2 3.35Å; Y51-Y98 HydrophobicContact CD2-CE2 3.35Å; Y51-Y98 AromaticContact CD2-CZ 3.89Å; Y51-Y98 HydrophobicContact CE2-CD2 4.25Å; Y51-Y98 HydrophobicContact CE2-CE2 4.08Å; Y51-Y98 HydrophobicContact CG-CE2 4.29Å; Y51-Y98 PolarHBondContact N-OH 3.13Å; Y51-Y98 PolarHBondContact O-OH 3.42Å; V84-Y98 HydrophobicContact CG1-CD1 4.46Å; Y85-Y98 CarbonylContact O-C 3.59Å; Y85-Y98 WeakPolarHBondContact O-CA 3.48Å; L86-Y98 HydrophobicContact CB-CD1 3.79Å; L86-Y98 HydrophobicContact CB-CE1 3.58Å; L86-Y98 HydrophobicContact CB-CG 4.4Å; L86-Y98 HydrophobicContact CD1-CD1 4.11Å; L86-Y98 HydrophobicContact CD1-CD2 3.65Å; L86-Y98 HydrophobicContact CD1-CE1 3.87Å; L86-Y98 HydrophobicContact CD1-CE2 3.31Å; L86-Y98 HydrophobicContact CD1-CG 3.97Å; L86-Y98 VanDerWaalsContact CD1-CZ 3.41Å; L86-Y98 HydrophobicContact CD2-CE1 4.24Å; L86-Y98 WeakPolarHBondContact CD2-OH 3.34Å; L86-Y98 HydrophobicContact CG-CD1 4.48Å; L86-Y98 HydrophobicContact CG-CE1 4.08Å; L86-Y98 HydrophobicContact CG-CE2 4.33Å; Y98-F119 HydrophobicContact CD1-CE1 4.03Å; Y98-F119 HydrophobicContact CE1-CE1 4.2Å
99	T	62.5	Low	51.3	Low	1 Å²	1	67.6 Å²	67.6	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	149.8	171.7	-178.6	0	0	0	0	110.9	Y85 Y87 F97 K101 E104 V105	Y85-T99 PolarHBondContact N-O 2.95Å; Y85-T99 VanDerWaalsContact N-O 3.13Å; Y85-T99 PolarHBondContact O-N 3.01Å; Y87-T99 HydrophobicContact CD2-CG2 3.57Å; Y87-T99 HydrophobicContact CE2-CG2 3.53Å; F97-T99 HydrophobicContact CD2-CG2 4.04Å; F97-T99 HydrophobicContact CE2-CG2 3.37Å; F97-T99 HydrophobicContact CZ-CG2 4.17Å; T99-K101 VanDerWaalsContact C-N 3.31Å; T99-K101 WeakPolarHBondContact CG2-O 3.49Å; T99-K101 PolarHBondContact OG1-N 3.24Å; T99-E104 PolarHBondContact OG1-OE2 3.19Å; T99-V105 HydrophobicContact CG2-CG2 4.16Å
100	P	59.5	Low	50.7	Low	36 Å²	36	73.9 Å²	73.9	23%	0.234	36%	0.355	C	S	.	.	S	Bend	trans	-79.5	-12	165.5	33	-35.6	0	0	0	113.7	I82 P83	I82-P100 HydrophobicContact CG2-CB 3.38Å; I82-P100 HydrophobicContact CG2-CG 4.04Å; P83-P100 VanDerWaalsContact O-CA 3.27Å; P83-P100 WeakPolarHBondContact O-CA 3.45Å; P83-P100 VanDerWaalsContact O-CB 3.31Å; P83-P100 WeakPolarHBondContact O-CB 3.47Å
101	K	57.9	Low	49.9	Very low	58 Å²	58	79 Å²	79	25%	0.252	37%	0.373	S	S	.	.			trans	-101.6	99.2	-172.8	-68.9	168.8	178	175	0	111.5	T99 T103 E104	T99-K101 VanDerWaalsContact C-N 3.31Å; T99-K101 WeakPolarHBondContact CG2-O 3.49Å; T99-K101 PolarHBondContact OG1-N 3.24Å; K101-T103 PolarHBondContact O-N 3.09Å; K101-E104 HydrophobicContact CB-CB 4.39Å; K101-E104 HydrophobicContact CB-CG 3.89Å; K101-E104 HydrophobicContact CD-CG 4.14Å; K101-E104 WeakPolarHBondContact CD-OE1 3.22Å; K101-E104 IonicContact NZ-OE1 2.75Å; K101-E104 PolarHBondContact O-N 3.1Å
102	Q	52.6	Low	49.3	Very low	98 Å²	98	76.4 Å²	76.4	46%	0.458	36%	0.364	S	S	.	.	H	α-helix	trans	-56.6	-29.7	170.3	-80.1	178.4	3.2	0	0	113.3	Y87 E104 V105 N106	Y87-Q102 WeakPolarHBondContact OH-CG 3.12Å; Q102-E104 VanDerWaalsContact C-N 3.33Å; Q102-E104 PolarHBondContact O-N 3.09Å; Q102-V105 WeakPolarHBondContact O-CA 3.33Å; Q102-V105 WeakPolarHBondContact O-CB 3.47Å; Q102-V105 PolarHBondContact O-N 3.1Å; Q102-N106 PolarHBondContact O-N 3.41Å; Q102-N106 VanDerWaalsContact O-N 3.1Å
103	T	49.5	Very low	48.5	Very low	72 Å²	72	75 Å²	75	44%	0.442	37%	0.367	S	S	.	.	H	α-helix	trans	-66.6	-30.8	-179.5	47.6	0	0	0	0	113.6	K101 V105 N106 L107	K101-T103 PolarHBondContact O-N 3.09Å; T103-V105 PolarHBondContact O-N 3.36Å; T103-N106 PolarHBondContact O-N 2.81Å; T103-L107 PolarHBondContact O-N 2.8Å
104	E	46.3	Very low	47.8	Very low	46 Å²	46	79 Å²	79	22%	0.215	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-27.6	173.1	-68.9	175.6	169.4	0	0	111.2	I19 T99 K101 Q102	I19-E104 VanDerWaalsContact CG2-OE2 3.26Å; I19-E104 WeakPolarHBondContact CG2-OE2 3.38Å; T99-E104 PolarHBondContact OG1-OE2 3.19Å; K101-E104 HydrophobicContact CB-CB 4.39Å; K101-E104 HydrophobicContact CB-CG 3.89Å; K101-E104 HydrophobicContact CD-CG 4.14Å; K101-E104 WeakPolarHBondContact CD-OE1 3.22Å; K101-E104 IonicContact NZ-OE1 2.75Å; K101-E104 PolarHBondContact O-N 3.1Å; Q102-E104 VanDerWaalsContact C-N 3.33Å; Q102-E104 PolarHBondContact O-N 3.09Å
105	V	46.2	Very low	47.3	Very low	8 Å²	8	80.1 Å²	80.1	5%	0.048	39%	0.385	C	S	.	.	H	α-helix	trans	-79	-43.6	177.8	-173.5	0	0	0	0	110.8	Y87 F97 T99 Q102 T103 L107 L108 L109	Y87-V105 HydrophobicContact CD1-CB 4.16Å; Y87-V105 HydrophobicContact CD1-CG1 3.58Å; Y87-V105 HydrophobicContact CD1-CG2 3.49Å; Y87-V105 VanDerWaalsContact CD1-CG2 3.49Å; Y87-V105 HydrophobicContact CD2-CG2 3.67Å; Y87-V105 HydrophobicContact CE1-CB 4.17Å; Y87-V105 HydrophobicContact CE1-CG1 3.85Å; Y87-V105 HydrophobicContact CE1-CG2 3.53Å; Y87-V105 HydrophobicContact CE2-CG2 3.64Å; Y87-V105 HydrophobicContact CG-CG1 4.29Å; Y87-V105 HydrophobicContact CG-CG2 3.57Å; F97-V105 HydrophobicContact CZ-CG2 3.93Å; T99-V105 HydrophobicContact CG2-CG2 4.16Å; Q102-V105 WeakPolarHBondContact O-CA 3.33Å; Q102-V105 WeakPolarHBondContact O-CB 3.47Å; Q102-V105 PolarHBondContact O-N 3.1Å; T103-V105 PolarHBondContact O-N 3.36Å; V105-L107 PolarHBondContact O-N 2.95Å; V105-L108 CarbonylContact O-C 3.58Å; V105-L108 PolarHBondContact O-N 2.75Å; V105-L109 HydrophobicContact CG1-CB 4.01Å; V105-L109 HydrophobicContact CG1-CD1 4.28Å; V105-L109 PolarHBondContact O-N 3.06Å
106	N	41.6	Very low	47	Very low	111 Å²	111	79.6 Å²	79.6	59%	0.594	40%	0.396	S	S	*	.	H	α-helix	trans	-61.3	-28.9	180	-74.7	-15.4	0	0	0	113	Q102 T103 L108	Q102-N106 PolarHBondContact O-N 3.41Å; Q102-N106 VanDerWaalsContact O-N 3.1Å; T103-N106 PolarHBondContact O-N 2.81Å; N106-L108 PolarHBondContact O-N 3.16Å
107	L	44.3	Very low	46.9	Very low	155 Å²	155	82.5 Å²	82.5	81%	0.812	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-13.6	174.3	-70.6	171.3	0	0	0	113.2	T103 V105	T103-L107 PolarHBondContact O-N 2.8Å; V105-L107 PolarHBondContact O-N 2.95Å
108	L	42.3	Very low	47.1	Very low	78 Å²	78	84.6 Å²	84.6	41%	0.408	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-26.1	-170	-66.3	173.8	0	0	0	115	V105 N106	V105-L108 CarbonylContact O-C 3.58Å; V105-L108 PolarHBondContact O-N 2.75Å; N106-L108 PolarHBondContact O-N 3.16Å
109	L	41.1	Very low	47.2	Very low	24 Å²	24	84.6 Å²	84.6	13%	0.126	43%	0.425	C	S	.	.			trans	-150	90.3	-155.8	-67.3	167.4	0	0	0	115.1	I89 F97 V105	I89-L109 HydrophobicContact CB-CD1 3.85Å; I89-L109 HydrophobicContact CB-CD2 4.03Å; I89-L109 HydrophobicContact CB-CG 4.45Å; I89-L109 HydrophobicContact CD1-CD1 3.86Å; I89-L109 HydrophobicContact CG1-CD1 3.51Å; I89-L109 HydrophobicContact CG2-CD1 4.03Å; I89-L109 HydrophobicContact CG2-CD2 3.59Å; I89-L109 HydrophobicContact CG2-CG 4.15Å; F97-L109 HydrophobicContact CE1-CD1 4.1Å; V105-L109 HydrophobicContact CG1-CB 4.01Å; V105-L109 HydrophobicContact CG1-CD1 4.28Å; V105-L109 PolarHBondContact O-N 3.06Å
110	L	40.2	Very low	47.4	Very low	160 Å²	160	85.1 Å²	85.1	84%	0.838	43%	0.428	S	S	*	.	S	Bend	trans	-90.2	-1.6	-174.8	-79.5	164.6	0	0	0	116.4
111	K	35.5	Very low	47.7	Very low	176 Å²	176	83.8 Å²	83.8	77%	0.765	42%	0.419	S	S	*	.	S	Bend	trans	-148.2	28.6	-163.1	-77	-162.9	177.5	-176.1	0	120.6
112	Y	35.3	Very low	47.8	Very low	118 Å²	118	82 Å²	82	46%	0.463	41%	0.411	S	S	.	.			trans	-138.7	147.2	-176.2	-60	-71.8	0	0	0	116.2	D90 F114	D90-Y112 HydrophobicContact CB-CD2 4.38Å; D90-Y112 HydrophobicContact CB-CE2 4Å; Y112-F114 WeakPolarHBondContact O-CE2 3.26Å; Y112-F114 WeakPolarHBondContact O-CZ 3.38Å
113	E	32.4	Very low	47.9	Very low	182 Å²	182	78.8 Å²	78.8	85%	0.85	40%	0.401	S	S	*	.			trans	-87.3	154	175.7	-65.6	179.3	158.6	0	0	112.1
114	F	37.6	Very low	47.6	Very low	109 Å²	109	80.2 Å²	80.2	48%	0.478	40%	0.401	S	S	.	.			trans	-120.5	147.1	-160.4	-48.6	-82.4	0	0	0	112.4	Y87 Y112	Y87-F114 HydrophobicContact CD1-CD1 4.15Å; Y87-F114 AromaticContact CD1-CE1 3.52Å; Y87-F114 HydrophobicContact CD1-CE1 3.52Å; Y87-F114 AromaticContact CD1-CZ 4Å; Y87-F114 HydrophobicContact CD1-CZ 4Å; Y87-F114 HydrophobicContact CE1-CE1 4.25Å; Y87-F114 HydrophobicContact CE1-CZ 4.33Å; Y87-F114 HydrophobicContact CG-CE1 4.39Å; Y112-F114 WeakPolarHBondContact O-CE2 3.26Å; Y112-F114 WeakPolarHBondContact O-CZ 3.38Å
115	E	39.8	Very low	47.4	Very low	147 Å²	147	84.7 Å²	84.7	69%	0.687	43%	0.427	S	S	*	.			trans	-131	96.8	173.3	-87.8	-169.4	155.4	0	0	111.2	L86	L86-E115 WeakPolarHBondContact CD2-O 3.48Å
116	G	46.6	Very low	47	Very low	43 Å²	43	90.4 Å²	90.4	44%	0.443	45%	0.453	S	S	.	.	S	Bend	trans	176.3	147.7	169.7	0	0	0	0	0	110.5
117	Q	53.5	Low	46.7	Very low	101 Å²	101	89.5 Å²	89.5	47%	0.472	44%	0.441	S	S	.	.			trans	-82.7	125.1	-179	-70.3	176.1	-14.8	0	0	109.7	V53	V53-Q117 HydrophobicContact CB-CB 4.28Å; V53-Q117 HydrophobicContact CG2-CB 4.36Å
118	P	61.9	Low	46.4	Very low	45 Å²	45	89 Å²	89	29%	0.292	44%	0.439	S	S	.	.			trans	-66.1	148.3	174.9	25.7	-30.6	0	0	0	111.1	Y74 V84 Y85	Y74-P118 WeakPolarHBondContact CB-O 3.44Å; Y74-P118 HydrophobicContact CD1-CB 4.39Å; Y74-P118 HydrophobicContact CD1-CG 3.89Å; Y74-P118 HydrophobicContact CD2-CB 4.48Å; Y74-P118 HydrophobicContact CG-CB 3.96Å; Y74-P118 HydrophobicContact CG-CG 3.91Å; Y74-P118 PolarHBondContact N-O 2.91Å; V84-P118 WeakPolarHBondContact O-CA 3.43Å; V84-P118 WeakPolarHBondContact O-CB 3.39Å; Y85-P118 HydrophobicContact CD1-CB 3.84Å; Y85-P118 HydrophobicContact CE1-CB 4.17Å
119	F	63.7	Low	46.1	Very low	8 Å²	8	92 Å²	92	4%	0.035	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	163.5	174.3	60.1	-92.1	0	0	0	110.1	I40 V53 A71 V84 Y98 L121	I40-F119 HydrophobicContact CD1-CB 4.13Å; I40-F119 HydrophobicContact CD1-CD1 3.96Å; I40-F119 HydrophobicContact CD1-CD2 4.22Å; I40-F119 HydrophobicContact CD1-CE1 4.43Å; I40-F119 HydrophobicContact CD1-CG 3.85Å; V53-F119 HydrophobicContact CG2-CB 3.83Å; V53-F119 HydrophobicContact CG2-CD1 4.27Å; V53-F119 HydrophobicContact CG2-CG 4.46Å; A71-F119 HydrophobicContact CB-CB 4.45Å; A71-F119 HydrophobicContact CB-CD2 4.09Å; V84-F119 WeakPolarHBondContact CA-O 3.25Å; V84-F119 HydrophobicContact CB-CD2 4.23Å; V84-F119 HydrophobicContact CB-CE2 3.95Å; V84-F119 HydrophobicContact CB-CZ 4.17Å; V84-F119 WeakPolarHBondContact CB-O 3.4Å; V84-F119 HydrophobicContact CG1-CE1 4.36Å; V84-F119 HydrophobicContact CG1-CE2 4.14Å; V84-F119 HydrophobicContact CG1-CZ 3.89Å; V84-F119 HydrophobicContact CG2-CE2 4.16Å; V84-F119 PolarHBondContact N-O 2.7Å; V84-F119 PolarHBondContact O-N 2.82Å; Y98-F119 HydrophobicContact CD1-CE1 4.03Å; Y98-F119 HydrophobicContact CE1-CE1 4.2Å; F119-L121 HydrophobicContact CD2-CD2 3.95Å; F119-L121 HydrophobicContact CD2-CG 4.08Å; F119-L121 HydrophobicContact CE2-CD1 4.09Å; F119-L121 HydrophobicContact CE2-CD2 3.7Å; F119-L121 HydrophobicContact CE2-CG 3.78Å
120	S	67.6	Low	45.6	Very low	12 Å²	12	96.6 Å²	96.6	8%	0.084	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134	-179.7	-54.8	0	0	0	0	111.4	A72 A80 I82	A72-S120 PolarHBondContact N-O 2.9Å; A72-S120 PolarHBondContact O-N 2.6Å; A80-S120 VanDerWaalsContact CB-CB 3.42Å; I82-S120 CarbonylContact O-C 3.56Å; I82-S120 VanDerWaalsContact O-CA 3.25Å; I82-S120 WeakPolarHBondContact O-CA 3.09Å
121	L	66.4	Low	45.2	Very low	8 Å²	8	92 Å²	92	4%	0.042	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	157.8	177.7	-63.8	177.8	0	0	0	111.6	I21 Y24 T25 A71 K81 I82 V84 F119	I21-L121 HydrophobicContact CG2-CD1 3.42Å; I21-L121 VanDerWaalsContact CG2-CD1 3.42Å; Y24-L121 WeakPolarHBondContact O-CD2 2.97Å; T25-L121 HydrophobicContact CG2-CD2 4.13Å; A71-L121 HydrophobicContact CB-CD2 4.28Å; K81-L121 PolarHBondContact N-O 2.95Å; I82-L121 PolarHBondContact N-O 3.44Å; I82-L121 PolarHBondContact O-N 3.3Å; V84-L121 HydrophobicContact CG2-CB 4.45Å; V84-L121 HydrophobicContact CG2-CD1 3.72Å; V84-L121 HydrophobicContact CG2-CG 3.85Å; F119-L121 HydrophobicContact CD2-CD2 3.95Å; F119-L121 HydrophobicContact CD2-CG 4.08Å; F119-L121 HydrophobicContact CE2-CD1 4.09Å; F119-L121 HydrophobicContact CE2-CD2 3.7Å; F119-L121 HydrophobicContact CE2-CG 3.78Å
122	W	60	Low	44.9	Very low	22 Å²	22	86.4 Å²	86.4	8%	0.083	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-86.2	136	169.9	-56.7	-81.5	0	0	0	110.8	Y24 A26 M32 L37 Y70	Y24-W122 PolarHBondContact N-O 3.18Å; A26-W122 HydrophobicContact CB-CH2 4.14Å; A26-W122 HydrophobicContact CB-CZ3 4.19Å; M32-W122 HydrophobicContact CE-CZ2 4.05Å; M32-W122 HydrophobicContact CG-CH2 4.46Å; M32-W122 HydrophobicContact CG-CZ2 4.02Å; L37-W122 HydrophobicContact CD1-CH2 4.07Å; L37-W122 HydrophobicContact CD2-CH2 3.63Å; L37-W122 HydrophobicContact CD2-CZ2 3.65Å; Y70-W122 WeakPolarHBondContact O-CZ3 3.01Å
123	A	54	Low	44.6	Very low	30 Å²	30	84.2 Å²	84.2	25%	0.248	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-74.2	141.4	173.8	0	0	0	0	0	110.2	I82	I82-A123 HydrophobicContact CD1-CB 3.71Å; I82-A123 HydrophobicContact CG1-CB 4.25Å
124	K	43	Very low	44.4	Very low	101 Å²	101	79.8 Å²	79.8	44%	0.439	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-65.8	155.2	150.1	-154	178.4	175.9	-169.8	0	107.1	Y24 Q126	Y24-K124 HydrophobicContact CE2-CB 3.64Å; Y24-K124 HydrophobicContact CE2-CG 3.97Å; Y24-K124 VanDerWaalsContact OH-CD 3.28Å; Y24-K124 WeakPolarHBondContact OH-CD 3.21Å; Y24-K124 WeakPolarHBondContact OH-CG 3.28Å; K124-Q126 HydrophobicContact CB-CB 4.29Å; K124-Q126 HydrophobicContact CB-CG 4.43Å; K124-Q126 HydrophobicContact CD-CG 3.88Å; K124-Q126 HydrophobicContact CG-CG 4.24Å; K124-Q126 PolarHBondContact O-N 2.83Å
125	D	42.3	Very low	43.9	Very low	141 Å²	141	83.1 Å²	83.1	75%	0.754	43%	0.431	S	S	*	.	S	Bend	trans	-57.1	12.3	169	-58.1	-43.6	0	0	0	114.6	L128	D125-L128 WeakPolarHBondContact O-CG 3.27Å
126	Q	37.5	Very low	43.5	Very low	127 Å²	127	82.3 Å²	82.3	59%	0.593	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	22	179.2	-69.1	-169	-30	0	0	114.6	K124 L128	K124-Q126 HydrophobicContact CB-CB 4.29Å; K124-Q126 HydrophobicContact CB-CG 4.43Å; K124-Q126 HydrophobicContact CD-CG 3.88Å; K124-Q126 HydrophobicContact CG-CG 4.24Å; K124-Q126 PolarHBondContact O-N 2.83Å; Q126-L128 VanDerWaalsContact C-N 3.25Å
127	W	36.5	Very low	42.6	Very low	93 Å²	93	87.7 Å²	87.7	35%	0.352	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	6	158.5	-73	76.5	0	0	0	112.5	I82 D129 Y130	I82-W127 HydrophobicContact CD1-CZ2 3.99Å; I82-W127 VanDerWaalsContact CD1-NE1 3.28Å; W127-D129 PolarHBondContact O-N 2.77Å; W127-D129 VanDerWaalsContact O-N 3.08Å; W127-Y130 HydrophobicContact CD2-CD2 4.07Å; W127-Y130 AromaticContact CE3-CD2 3.39Å; W127-Y130 HydrophobicContact CE3-CD2 3.39Å; W127-Y130 HydrophobicContact CE3-CE2 4.18Å; W127-Y130 AromaticContact CE3-CG 3.69Å; W127-Y130 HydrophobicContact CE3-CG 3.69Å; W127-Y130 AromaticContact CZ3-CD2 3.76Å; W127-Y130 HydrophobicContact CZ3-CD2 3.76Å; W127-Y130 HydrophobicContact CZ3-CE2 4.2Å; W127-Y130 AromaticContact CZ3-CG 3.97Å; W127-Y130 HydrophobicContact CZ3-CG 3.97Å; W127-Y130 CarbonylContact O-C 3.55Å; W127-Y130 WeakPolarHBondContact O-CA 3.47Å; W127-Y130 PolarHBondContact O-N 2.92Å; W127-Y130 VanDerWaalsContact O-O 3.13Å
128	L	36.6	Very low	41.8	Very low	145 Å²	145	84.7 Å²	84.7	76%	0.759	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.7	172.3	-75.3	169	0	0	0	113.3	D125 Q126 Y130	D125-L128 WeakPolarHBondContact O-CG 3.27Å; Q126-L128 VanDerWaalsContact C-N 3.25Å; L128-Y130 VanDerWaalsContact C-N 3.26Å; L128-Y130 PolarHBondContact O-N 2.93Å
129	D	36.7	Very low	40.9	Very low	141 Å²	141	92 Å²	92	75%	0.754	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.7	173.1	-64.6	-29.3	0	0	0	113.8	W127	W127-D129 PolarHBondContact O-N 2.77Å; W127-D129 VanDerWaalsContact O-N 3.08Å
130	Y	30	Very low	39.9	Very low	119 Å²	119	98 Å²	98	47%	0.467	49%	0.489	S	S	.	.	S	Bend	trans	-119.8	93.5	179.1	-66.2	-74.7	0	0	0	109.5	W127 L128 A132	W127-Y130 HydrophobicContact CD2-CD2 4.07Å; W127-Y130 AromaticContact CE3-CD2 3.39Å; W127-Y130 HydrophobicContact CE3-CD2 3.39Å; W127-Y130 HydrophobicContact CE3-CE2 4.18Å; W127-Y130 AromaticContact CE3-CG 3.69Å; W127-Y130 HydrophobicContact CE3-CG 3.69Å; W127-Y130 AromaticContact CZ3-CD2 3.76Å; W127-Y130 HydrophobicContact CZ3-CD2 3.76Å; W127-Y130 HydrophobicContact CZ3-CE2 4.2Å; W127-Y130 AromaticContact CZ3-CG 3.97Å; W127-Y130 HydrophobicContact CZ3-CG 3.97Å; W127-Y130 CarbonylContact O-C 3.55Å; W127-Y130 WeakPolarHBondContact O-CA 3.47Å; W127-Y130 PolarHBondContact O-N 2.92Å; W127-Y130 VanDerWaalsContact O-O 3.13Å; L128-Y130 VanDerWaalsContact C-N 3.26Å; L128-Y130 PolarHBondContact O-N 2.93Å; Y130-A132 VanDerWaalsContact C-N 3.34Å; Y130-A132 PolarHBondContact O-N 2.89Å; Y130-A132 VanDerWaalsContact O-N 3.14Å
131	A	31.8	Very low	38.2	Very low	64 Å²	64	99.3 Å²	99.3	53%	0.529	50%	0.504	S	S	.	.			trans	-65.3	-20.8	-161.6	0	0	0	0	0	116.7	R150	A131-R150 HydrophobicContact CB-CG 4.5Å
132	A	29.3	Very low	36.3	Very low	59 Å²	59	105.9 Å²	105.9	49%	0.488	53%	0.533	S	S	.	.			trans	-171.1	152	173.7	0	0	0	0	0	112.9	Y130	Y130-A132 VanDerWaalsContact C-N 3.34Å; Y130-A132 PolarHBondContact O-N 2.89Å; Y130-A132 VanDerWaalsContact O-N 3.14Å
133	T	29.5	Very low	34.7	Very low	72 Å²	72	111.8 Å²	111.8	44%	0.442	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	110.5	160.9	57.6	0	0	0	0	108.9	V145 L147	T133-V145 HydrophobicContact CG2-CG1 4.24Å; T133-L147 HydrophobicContact CG2-CD2 4.02Å
134	E	27.9	Very low	33.4	Very low	89 Å²	89	114.4 Å²	114.4	42%	0.416	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	123.2	168.1	-165.3	-176.8	-165.8	0	0	108.5	K136 R146	E134-K136 WeakPolarHBondContact OE1-CE 3.15Å; E134-K136 IonicContact OE1-NZ 3.52Å; E134-K136 PolarHBondContact OE1-NZ 3.22Å; E134-R146 PolarHBondContact O-N 3.44Å
135	R	27.4	Very low	32.6	Very low	178 Å²	178	113 Å²	113	67%	0.672	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.9	106.4	178.3	-62	179.8	-177.5	-169.5	-1.3	108
136	K	30.5	Very low	31.8	Very low	131 Å²	131	115.3 Å²	115.3	57%	0.57	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.3	130.1	166.9	-71.8	-171	-175.7	172.3	0	109.8	E134 V144	E134-K136 WeakPolarHBondContact OE1-CE 3.15Å; E134-K136 IonicContact OE1-NZ 3.52Å; E134-K136 PolarHBondContact OE1-NZ 3.22Å; K136-V144 PolarHBondContact N-O 3.35Å; K136-V144 PolarHBondContact O-N 2.95Å; K136-V144 VanDerWaalsContact O-N 3.13Å
137	K	29.1	Very low	31.5	Very low	156 Å²	156	112.7 Å²	112.7	68%	0.678	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.9	117.4	171	-168.1	179.3	-179.7	-173.9	0	106.7
138	S	36.3	Very low	31	Very low	37 Å²	37	113.1 Å²	113.1	26%	0.259	57%	0.565	S	S	.	*			trans	-69.1	158	170	74.1	0	0	0	0	109.5	D140 G141 K142	S138-D140 PolarHBondContact O-N 2.83Å; S138-D140 VanDerWaalsContact O-N 3.15Å; S138-G141 PolarHBondContact O-N 3.32Å; S138-K142 PolarHBondContact N-O 3.13Å; S138-K142 PolarHBondContact OG-N 3.4Å; S138-K142 PolarHBondContact OG-O 3.14Å
139	E	43.3	Very low	30.8	Very low	199 Å²	199	115.3 Å²	115.3	93%	0.93	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-33.9	179.5	-67	-179.1	166	0	0	111.7	G141	E139-G141 PolarHBondContact O-N 2.95Å; E139-G141 VanDerWaalsContact O-N 3.14Å
140	D	41.5	Very low	30.6	Very low	134 Å²	134	117.8 Å²	117.8	72%	0.717	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	13	178.3	-37.3	-18.8	0	0	0	114.2	S138 K142	S138-D140 PolarHBondContact O-N 2.83Å; S138-D140 VanDerWaalsContact O-N 3.15Å; D140-K142 VanDerWaalsContact C-N 3.28Å; D140-K142 PolarHBondContact O-N 2.9Å
141	G	32.3	Very low	31	Very low	39 Å²	39	120.8 Å²	120.8	40%	0.402	59%	0.585	S	S	.	*	S	Bend	trans	74.5	9.7	177.3	0	0	0	0	0	115.5	S138 E139	S138-G141 PolarHBondContact O-N 3.32Å; E139-G141 PolarHBondContact O-N 2.95Å; E139-G141 VanDerWaalsContact O-N 3.14Å
142	K	26.8	Very low	31.5	Very low	146 Å²	146	122.1 Å²	122.1	64%	0.635	59%	0.591	S	S	*	*			trans	-87.8	143.2	176	-62.6	177.3	-177.9	170.6	0	110.6	S138 D140	S138-K142 PolarHBondContact N-O 3.13Å; S138-K142 PolarHBondContact OG-N 3.4Å; S138-K142 PolarHBondContact OG-O 3.14Å; D140-K142 VanDerWaalsContact C-N 3.28Å; D140-K142 PolarHBondContact O-N 2.9Å
143	Y	26.5	Very low	31.8	Very low	146 Å²	146	127.6 Å²	127.6	57%	0.573	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.3	117.4	175.9	-68.9	-83.6	0	0	0	109.5
144	V	25.8	Very low	32.2	Very low	86 Å²	86	129.9 Å²	129.9	52%	0.521	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	115.4	169.2	-177.5	0	0	0	0	107.6	K136	K136-V144 PolarHBondContact N-O 3.35Å; K136-V144 PolarHBondContact O-N 2.95Å; K136-V144 VanDerWaalsContact O-N 3.13Å
145	V	26.3	Very low	32.6	Very low	71 Å²	71	132.2 Å²	132.2	43%	0.43	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100	111.1	175.2	-178.4	0	0	0	0	107.9	T133	T133-V145 HydrophobicContact CG2-CG1 4.24Å
146	R	27.3	Very low	33	Very low	189 Å²	189	132.3 Å²	132.3	71%	0.713	64%	0.635	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102	120.9	175.8	-149.2	175.3	-166.4	178.1	3.2	108.8	E134	E134-R146 PolarHBondContact O-N 3.44Å
147	L	29.3	Very low	33.6	Very low	72 Å²	72	136.7 Å²	136.7	38%	0.377	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.6	121	175.4	-64.8	172.8	0	0	0	108.7	T133	T133-L147 HydrophobicContact CG2-CD2 4.02Å
148	I	27.6	Very low	33.8	Very low	103 Å²	103	135.7 Å²	135.7	53%	0.528	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-98.7	116.2	176.3	-58.7	169.8	0	0	0	107.4	R150	I148-R150 PolarHBondContact O-N 3.03Å
149	K	32.2	Very low	33.7	Very low	191 Å²	191	140.9 Å²	140.9	83%	0.83	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-66.6	130.7	170.3	-167.9	-179.9	-179.8	-172.7	0	107.3	Q151	K149-Q151 PolarHBondContact O-N 2.84Å; K149-Q151 VanDerWaalsContact O-N 3.09Å
150	R	32	Very low	33.2	Very low	193 Å²	193	137.7 Å²	137.7	73%	0.728	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57.9	118.6	171.6	-151.9	174.8	-172.7	174.6	-0.4	106.4	A131 I148 S152	A131-R150 HydrophobicContact CB-CG 4.5Å; I148-R150 PolarHBondContact O-N 3.03Å; R150-S152 PolarHBondContact O-N 2.85Å; R150-S152 VanDerWaalsContact O-N 3.1Å
151	Q	38.2	Very low	32.7	Very low	182 Å²	182	137.9 Å²	137.9	85%	0.85	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-55.7	120.6	168.4	-81.1	-179	-22.2	0	0	105.4	K149 E153	K149-Q151 PolarHBondContact O-N 2.84Å; K149-Q151 VanDerWaalsContact O-N 3.09Å; Q151-E153 PolarHBondContact O-N 3.36Å; Q151-E153 VanDerWaalsContact O-N 3.09Å
152	S	41.5	Very low	32.7	Very low	92 Å²	92	144.1 Å²	144.1	64%	0.643	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-58	116.4	164.4	41.9	0	0	0	0	104.9	R150 D154	R150-S152 PolarHBondContact O-N 2.85Å; R150-S152 VanDerWaalsContact O-N 3.1Å; S152-D154 VanDerWaalsContact C-N 3.27Å; S152-D154 PolarHBondContact O-N 2.84Å
153	E	37.5	Very low	33.1	Very low	173 Å²	173	143.9 Å²	143.9	81%	0.808	69%	0.689	S	S	*	*			trans	-57.8	106.3	160.2	-72.4	175.8	172.9	0	0	104.3	Q151 I155	Q151-E153 PolarHBondContact O-N 3.36Å; Q151-E153 VanDerWaalsContact O-N 3.09Å; E153-I155 PolarHBondContact O-N 2.73Å
154	D	37.4	Very low	33.6	Very low	120 Å²	120	143.8 Å²	143.8	64%	0.642	70%	0.697	S	S	*	*			trans	-63.8	91.8	171.1	-74.2	-29	0	0	0	105.9	S152 F156	S152-D154 VanDerWaalsContact C-N 3.27Å; S152-D154 PolarHBondContact O-N 2.84Å; D154-F156 HydrophobicContact CB-CD2 3.66Å; D154-F156 HydrophobicContact CB-CE2 3.57Å; D154-F156 PolarHBondContact O-N 3.33Å
155	I	36.5	Very low	34.2	Very low	139 Å²	139	148.2 Å²	148.2	71%	0.713	71%	0.711	S	S	*	*			trans	-70.6	86.8	167.9	-57.5	171.6	0	0	0	105.2	E153	E153-I155 PolarHBondContact O-N 2.73Å
156	F	36.2	Very low	34.8	Very low	179 Å²	179	154.7 Å²	154.7	79%	0.785	73%	0.734	S	S	*	*			trans	-85.3	97.3	160.8	-76	-83.3	0	0	0	106.9	D154	D154-F156 HydrophobicContact CB-CD2 3.66Å; D154-F156 HydrophobicContact CB-CE2 3.57Å; D154-F156 PolarHBondContact O-N 3.33Å
157	D	42.1	Very low	35.5	Very low	223 Å²	223	151.5 Å²	151.5	100%	1.193	74%	0.736	S	S	*	*			trans	-83.5	0	156.7	-84.1	-25.1	0	0	0	109.6

Retrieved 157 of 157 residues in 107.1 ms (Link to these results)

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